A0A096NJH1_PAPAN Loading...

RING finger protein 215

AlphaFold DB , UniProt , Accession A0A096NJH1, Species PAPAN (Papio anubis, Olive baboon), Gene RNF215, Length 377 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
1M36Very low44.3Very low255 Ų255149.1 Ų149.1100%1.25687%0.869SS**  0116.30-66.4160.6158.400107.8
2G42Very low45.2Very low69 Ų69146.3 Ų146.371%0.71186%0.859SS**  cis-161.6154.9-15.200000104.6
3P44.5Very low46.3Very low133 Ų133143.9 Ų143.986%0.86485%0.851SS**  trans-77.7133.7-164.630.9-31.7000111.9A5P3-A5 PolarHBondContact O-N 3.19Å
4A44.5Very low47.3Very low102 Ų102142 Ų14284%0.84384%0.844SS**  trans-71.7114.9171.600000109.9
5A42.1Very low48.1Very low99 Ų99140.4 Ų140.482%0.81884%0.839SS**PPolyproline II helixtrans-68.7128.4177.300000111P3P3-A5 PolarHBondContact O-N 3.19Å
6R51.6Low48.7Very low237 Ų237138.8 Ų138.889%0.89483%0.833SS**PPolyproline II helixtrans-67.6142.2170.5-78.5178.5169.2-173.8-4.3110.3A8R6-A8 PolarHBondContact O-N 3.35Å
7P43.1Very low49.1Very low124 Ų124137.4 Ų137.481%0.80583%0.828SS**PPolyproline II helixtrans-71.2129.4174.828.5-30.6000110.2L9P7-L9 PolarHBondContact O-N 3.49Å
8A43.9Very low49.6Very low93 Ų93136.2 Ų136.277%0.76982%0.824SS**PPolyproline II helixtrans-70.8122.817400000110.2R6 R10R6-A8 PolarHBondContact O-N 3.35Å; A8-R10 PolarHBondContact O-N 2.79Å; A8-R10 VanDerWaalsContact O-N 3.12Å
9L45.4Very low49.7Very low179 Ų179135.1 Ų135.194%0.93782%0.82SS**  trans-60.2110.4168.2-85.2142.2000109P7 S11P7-L9 PolarHBondContact O-N 3.49Å; L9-S11 PolarHBondContact O-N 3.39Å
10R45.8Very low49.7Very low241 Ų241132.9 Ų132.991%0.90981%0.809SS**PPolyproline II helixtrans-63.4127.8170.3-74.8-179171.3-169.7-2.8108.9A8A8-R10 PolarHBondContact O-N 2.79Å; A8-R10 VanDerWaalsContact O-N 3.12Å
11S48.5Very low50.1Low108 Ų108129.6 Ų129.676%0.75579%0.791SS**PPolyproline II helixtrans-61.1144.7168.341.80000110.7L9L9-S11 PolarHBondContact O-N 3.39Å
12P54.8Low51.1Low115 Ų115122.3 Ų122.375%0.74776%0.763SS**PPolyproline II helixtrans-66.7146.5174.327.4-32.6000110.7
13P60Low51.6Low116 Ų116125.3 Ų125.375%0.75376%0.762SS**PPolyproline II helixtrans-65.7149.7179.127.6-33.9000111.5
14P59.8Low51.9Low117 Ų117123.9 Ų123.976%0.7675%0.747SS**PPolyproline II helixtrans-63.7149.7176.527.4-34000111.4
15P58.7Low52.3Low118 Ų118124.8 Ų124.877%0.76674%0.737SS**PPolyproline II helixtrans-64.8148.217927.4-34.1000111.4
16P58.1Low52.7Low114 Ų114124.7 Ų124.774%0.7472%0.722SS**PPolyproline II helixtrans-64.3148.2-179.727.1-34000111.4
17P56Low52.9Low115 Ų115118.8 Ų118.875%0.74771%0.707SS**PPolyproline II helixtrans-61.9147.9176.526.9-33.9000110.9
18P58Low53.4Low116 Ų116117.4 Ų117.475%0.75370%0.698SS**PPolyproline II helixtrans-62.3147.3178.327.1-34.1000110.7
19P51.3Low53.7Low116 Ų116116.9 Ų116.975%0.75368%0.682SS**PPolyproline II helixtrans-60.8143.4-179.525.7-33.7000110.5S21P19-S21 PolarHBondContact O-N 2.92Å
20P49.8Very low54.1Low91 Ų91113 Ų11359%0.59166%0.662SS**PPolyproline II helixtrans-59.2136.817526.1-33000109.2
21S58.9Low54.2Low64 Ų64104.2 Ų104.245%0.44864%0.636SS.*PPolyproline II helixtrans-55.9139.117641.50000110.3P19 L23 L24P19-S21 PolarHBondContact O-N 2.92Å; S21-L23 PolarHBondContact O-N 3.16Å; S21-L24 PolarHBondContact O-N 3.01Å
22P55.2Low54.2Low102 Ų102105.3 Ų105.366%0.66263%0.633SS**THydrogen-bonded Turntrans-60.3-13.7-174.222.2-32.9000113.8
23L53.2Low53.8Low131 Ų131111 Ų11169%0.68664%0.639SS**THydrogen-bonded Turntrans-73.1-25.4174.6-65.3172.8000113.7S21S21-L23 PolarHBondContact O-N 3.16Å
24L50.5Low53.1Low103 Ų103109 Ų10954%0.53962%0.622SS.*THydrogen-bonded Turntrans-80.9-21.8177.4-74.8171.1000113.2S21 L26 L27S21-L24 PolarHBondContact O-N 3.01Å; L24-L26 VanDerWaalsContact C-N 3.26Å; L24-L26 PolarHBondContact O-N 3.33Å; L24-L27 HydrophobicContact CD2-CD2 4.49Å
25L53.1Low52.3Low121 Ų121106.6 Ų106.663%0.63462%0.619SS**SBendtrans-74.4-16.6174.1-81.9159.4000113
26L51.8Low51.7Low98 Ų98107.4 Ų107.451%0.51362%0.616SS.*SBendtrans-96.8-12-179.7-65171.9000113.4L24 P28 L29L24-L26 VanDerWaalsContact C-N 3.26Å; L24-L26 PolarHBondContact O-N 3.33Å; L26-P28 VanDerWaalsContact C-CD 3.48Å; L26-L29 HydrophobicContact CD2-CD1 3.95Å; L26-L29 PolarHBondContact O-N 3.46Å; L26-L29 VanDerWaalsContact O-N 3.1Å
27L54.5Low50.8Low112 Ų112105.4 Ų105.459%0.58661%0.61SS**G310 helixtrans-56.2-39.3175.5-116.375.7000114.7L24 L29 L30L24-L27 HydrophobicContact CD2-CD2 4.49Å; L27-L29 VanDerWaalsContact C-N 3.26Å; L27-L29 PolarHBondContact O-N 3.41Å; L27-L30 PolarHBondContact O-N 3.46Å
28P54.5Low50Low95 Ų95102.8 Ų102.862%0.61760%0.603SS**G310 helixtrans-77.2-6.6177.128.5-33000114.2L26 P31L26-P28 VanDerWaalsContact C-CD 3.48Å; P28-P31 WeakPolarHBondContact O-CD 3.32Å
29L50Low49.1Very low82 Ų82103.6 Ų103.643%0.42961%0.609SS.*G310 helixtrans-94.3-12.2175.6-63.3176.3000112.9L26 L27 P31 L32 W33L26-L29 HydrophobicContact CD2-CD1 3.95Å; L26-L29 PolarHBondContact O-N 3.46Å; L26-L29 VanDerWaalsContact O-N 3.1Å; L27-L29 VanDerWaalsContact C-N 3.26Å; L27-L29 PolarHBondContact O-N 3.41Å; L29-P31 VanDerWaalsContact C-CD 3.41Å; L29-L32 WeakPolarHBondContact O-CB 3.31Å; L29-L32 PolarHBondContact O-N 2.74Å; L29-L32 VanDerWaalsContact O-N 3.15Å; L29-W33 PolarHBondContact O-N 2.94Å
30L52.9Low48.3Very low98 Ų98101.6 Ų101.651%0.51361%0.609SS.*Hα-helixtrans-55.7-40.7175-128.1102.6000113.5L27 L32 W33 L34L27-L30 PolarHBondContact O-N 3.46Å; L30-L32 VanDerWaalsContact C-N 3.31Å; L30-L32 PolarHBondContact O-N 3.2Å; L30-W33 PolarHBondContact O-N 3.29Å; L30-L34 HydrophobicContact CD2-CD1 3.75Å; L30-L34 HydrophobicContact CG-CD1 4.17Å; L30-L34 WeakPolarHBondContact O-CB 3.31Å; L30-L34 WeakPolarHBondContact O-CD1 3.16Å; L30-L34 PolarHBondContact O-N 2.98Å
31P49.2Very low47.7Very low56 Ų56102.5 Ų102.536%0.36462%0.624SS.*Hα-helixtrans-67.3-27.8177.2-17.330.1000113.9P28 L29 G35 L36P28-P31 WeakPolarHBondContact O-CD 3.32Å; L29-P31 VanDerWaalsContact C-CD 3.41Å; P31-G35 PolarHBondContact O-N 3.34Å; P31-G35 VanDerWaalsContact O-N 3.13Å; P31-L36 PolarHBondContact O-N 2.82Å; P31-L36 VanDerWaalsContact O-N 3.1Å
32L48Very low46.3Very low132 Ų132104 Ų10469%0.69164%0.64SS**Hα-helixtrans-73.5-37.7174.8-110.596.4000111.5L29 L30L29-L32 WeakPolarHBondContact O-CB 3.31Å; L29-L32 PolarHBondContact O-N 2.74Å; L29-L32 VanDerWaalsContact O-N 3.15Å; L30-L32 VanDerWaalsContact C-N 3.31Å; L30-L32 PolarHBondContact O-N 3.2Å
33W46.3Very low45.6Very low233 Ų233103.5 Ų103.588%0.88365%0.645SS**Hα-helixtrans-74.7-25.9176.4-85.580.1000113.3L29 L30L29-W33 PolarHBondContact O-N 2.94Å; L30-W33 PolarHBondContact O-N 3.29Å
34L45.3Very low44.4Very low74 Ų74105 Ų10539%0.38765%0.654SS.*THydrogen-bonded Turntrans-95.5-1.3177.3-82146.7000114.2L30 L36 L260L30-L34 HydrophobicContact CD2-CD1 3.75Å; L30-L34 HydrophobicContact CG-CD1 4.17Å; L30-L34 WeakPolarHBondContact O-CB 3.31Å; L30-L34 WeakPolarHBondContact O-CD1 3.16Å; L30-L34 PolarHBondContact O-N 2.98Å; L34-L36 HydrophobicContact CB-CD1 4.03Å; L34-L36 HydrophobicContact CB-CG 4.37Å; L34-L36 PolarHBondContact O-N 2.75Å; L34-L260 HydrophobicContact CD2-CD1 4.05Å; L34-L260 HydrophobicContact CD2-CD2 3.98Å; L34-L260 HydrophobicContact CD2-CG 4.46Å
35G44Very low43.8Very low68 Ų68103.8 Ų103.870%0.70167%0.666SS**THydrogen-bonded Turntrans62.823.7178.400000114.7P31P31-G35 PolarHBondContact O-N 3.34Å; P31-G35 VanDerWaalsContact O-N 3.13Å
36L46Very low42.6Very low134 Ų134103.1 Ų103.170%0.70267%0.672SS**  trans-92.7-4.2-174.6-78.6165000114P31 L34 G38P31-L36 PolarHBondContact O-N 2.82Å; P31-L36 VanDerWaalsContact O-N 3.1Å; L34-L36 HydrophobicContact CB-CD1 4.03Å; L34-L36 HydrophobicContact CB-CG 4.37Å; L34-L36 PolarHBondContact O-N 2.75Å; L36-G38 PolarHBondContact O-N 3.47Å
37A39.1Very low41.6Very low73 Ų73108 Ų10860%0.60369%0.692SS**  trans-87.876.5172.500000110.6
38G38.2Very low40.4Very low59 Ų59108.3 Ų108.361%0.60870%0.7SS**PPolyproline II helixtrans-73.6141.415700000109.5L36 G40L36-G38 PolarHBondContact O-N 3.47Å; G38-G40 PolarHBondContact O-N 3.07Å
39P39.1Very low39.4Very low134 Ų134108.8 Ų108.887%0.8771%0.713SS**PPolyproline II helixtrans-61.5134.9-177.824.7-30.8000110.4A41P39-A41 PolarHBondContact O-N 3.42Å
40G34.8Very low38.4Very low74 Ų74109.6 Ų109.676%0.76373%0.731SS**PPolyproline II helixtrans-55.1134.5178.100000111.5G38 A42G38-G40 PolarHBondContact O-N 3.07Å; G40-A42 PolarHBondContact O-N 3.12Å
41A36.2Very low37.5Very low110 Ų110109 Ų10991%0.90975%0.749SS**  trans-62.898.516500000108.9P39P39-A41 PolarHBondContact O-N 3.42Å
42A30.9Very low36.5Very low94 Ų94109.8 Ų109.878%0.77776%0.76SS**  trans-93.5116.8151.100000106.4G40 D44G40-A42 PolarHBondContact O-N 3.12Å; A42-D44 PolarHBondContact O-N 3.44Å
43A40Very low35.8Very low93 Ų93107.1 Ų107.177%0.76976%0.764SS**  trans-61.8118.2166.100000108.1
44D27.8Very low35.5Very low162 Ų162105.6 Ų105.687%0.86676%0.759SS**  trans-166.4132.5142.3-95.7-26.3000108.9A42 S46A42-D44 PolarHBondContact O-N 3.44Å; D44-S46 PolarHBondContact O-N 3.24Å
45G38.1Very low35.5Very low78 Ų78104 Ų10480%0.80476%0.76SS**  trans-70.6112.2-17700000111.2
46S28.9Very low36Very low107 Ų107102.5 Ų102.575%0.74874%0.744SS**  trans-168.5123.2147.92.10000108.5D44 P48D44-S46 PolarHBondContact O-N 3.24Å; S46-P48 WeakPolarHBondContact O-CD 3.46Å
47E30.8Very low36.6Very low200 Ų20096.3 Ų96.394%0.93571%0.713SS**  trans-57.2133.3174.8-69.7176.591.900111.5
48P28.7Very low37.9Very low118 Ų118100 Ų10077%0.76671%0.711SS**  trans-103.5128.8155.830.2-17.8000110S46 A50S46-P48 WeakPolarHBondContact O-CD 3.46Å; P48-A50 PolarHBondContact O-N 2.98Å; P48-A50 VanDerWaalsContact O-N 3.12Å
49A34.2Very low39.4Very low106 Ų10697.5 Ų97.588%0.87669%0.685SS**  trans-51.5112.6172.400000111.3G51A49-G51 PolarHBondContact O-N 3.29Å; A49-G51 VanDerWaalsContact O-N 3.12Å
50A29Very low41.2Very low98 Ų9891.4 Ų91.481%0.8165%0.645SS**  trans-80.189.117500000110.2P48 A52P48-A50 PolarHBondContact O-N 2.98Å; P48-A50 VanDerWaalsContact O-N 3.12Å; A50-A52 VanDerWaalsContact C-N 3.35Å; A50-A52 PolarHBondContact O-N 2.82Å; A50-A52 VanDerWaalsContact O-N 3.16Å
51G33.6Very low43.4Very low86 Ų8693.4 Ų93.489%0.88763%0.629SS**  trans-72.190.7156.700000109.3A49A49-G51 PolarHBondContact O-N 3.29Å; A49-G51 VanDerWaalsContact O-N 3.12Å
52A27.8Very low45.6Very low72 Ų7288.2 Ų88.260%0.59559%0.586SS**  trans-133110.6171.200000107.6A50 R54A50-A52 VanDerWaalsContact C-N 3.35Å; A50-A52 PolarHBondContact O-N 2.82Å; A50-A52 VanDerWaalsContact O-N 3.16Å; A52-R54 PolarHBondContact O-N 2.89Å
53G32.8Very low48.2Very low77 Ų7785.8 Ų85.879%0.79456%0.56SS**  trans-48.6107.6-174.500000112.2E82G53-E82 WeakPolarHBondContact CA-OE2 3.42Å
54R40.9Very low50.4Low201 Ų20181.3 Ų81.376%0.75852%0.524SS*.  trans-95117.3170.3-77.3-177.1179.8-133.52.3106.5A52 G56 E82A52-R54 PolarHBondContact O-N 2.89Å; R54-G56 VanDerWaalsContact C-N 3.3Å; R54-G56 PolarHBondContact O-N 3.49Å; R54-E82 PolarHBondContact N-OE2 2.89Å; R54-E82 WeakPolarHBondContact O-CB 3.21Å
55G44.8Very low53.1Low40 Ų4080.8 Ų80.841%0.41251%0.509SS..  trans-57.299.6159.400000108.6
56G53.3Low55.2Low36 Ų3677.8 Ų77.837%0.37148%0.475SS..  trans-104.9119.4-171.200000110.4R54 R58R54-G56 VanDerWaalsContact C-N 3.3Å; R54-G56 PolarHBondContact O-N 3.49Å; G56-R58 PolarHBondContact O-N 2.78Å
57A60.4Low57.4Low5 Ų577.3 Ų77.34%0.04147%0.469CS..  trans-70.8124.4162.100000107.2V77 R78 T219A57-V77 HydrophobicContact CB-CG1 3.68Å; A57-R78 VanDerWaalsContact CA-O 3.3Å; A57-R78 WeakPolarHBondContact CA-O 3.45Å; A57-T219 HydrophobicContact CB-CG2 3.61Å
58R65.3Low59.1Low149 Ų14979 Ų7956%0.56247%0.467SS*.EExtended strand (participates in β ladder)trans-121.8140.2-178.7-168.8172.5176.6172.4-0.1110.5G56 V77 R78G56-R58 PolarHBondContact O-N 2.78Å; R58-V77 WeakPolarHBondContact O-CA 3.13Å; R58-R78 PolarHBondContact N-O 3.12Å; R58-R78 PolarHBondContact O-N 3.01Å
59A69.5Low61.2Low8 Ų877.8 Ų77.87%0.06645%0.451CS..EExtended strand (participates in β ladder)trans-61.9136.5171.500000110.8G207 L210A59-G207 PolarHBondContact O-N 2.81Å; A59-L210 HydrophobicContact CB-CB 4Å; A59-L210 HydrophobicContact CB-CD1 4.35Å; A59-L210 HydrophobicContact CB-CG 4.23Å
60V76.8Confident63Low5 Ų579.6 Ų79.63%0.0345%0.446CS..EExtended strand (participates in β ladder)trans-138.2139-176.61690000108.9V62 G76 R78 I204 T205V60-V62 HydrophobicContact CG1-CG2 4.12Å; V60-G76 PolarHBondContact N-O 3.21Å; V60-G76 PolarHBondContact O-N 3.48Å; V60-G76 VanDerWaalsContact O-O 3.13Å; V60-R78 HydrophobicContact CB-CB 4.4Å; V60-R78 HydrophobicContact CG2-CB 3.49Å; V60-R78 VanDerWaalsContact CG2-CB 3.49Å; V60-I204 HydrophobicContact CG1-CG2 3.29Å; V60-T205 WeakPolarHBondContact CG1-O 3.3Å
61R80.8Confident65.5Low116 Ų11678.4 Ų78.444%0.43844%0.436SS..EExtended strand (participates in β ladder)trans-98.6135.8169.7178.3176.3-77.9-175.6-3108.5V73 L74 T205R61-V73 HydrophobicContact CG-CG1 3.76Å; R61-L74 WeakPolarHBondContact CA-O 3.39Å; R61-T205 PolarHBondContact N-O 3.37Å; R61-T205 PolarHBondContact O-N 2.84Å; R61-T205 PolarHBondContact O-OG1 3.18Å
62V84.1Confident67.8Low1 Ų175 Ų751%0.00640%0.397CS..EExtended strand (participates in β ladder)trans-120.7109.6178.2-1750000107.6V60 V64 L74 I179 L181 A202 I204V60-V62 HydrophobicContact CG1-CG2 4.12Å; V62-V64 HydrophobicContact CG1-CG2 3.97Å; V62-L74 HydrophobicContact CB-CB 4.23Å; V62-L74 PolarHBondContact N-O 2.94Å; V62-L74 PolarHBondContact O-N 3.33Å; V62-I179 HydrophobicContact CG2-CG2 4.16Å; V62-L181 HydrophobicContact CB-CD2 4.49Å; V62-L181 HydrophobicContact CG2-CD2 4.06Å; V62-A202 HydrophobicContact CG1-CB 4.02Å; V62-I204 HydrophobicContact CG1-CG1 4.19Å; V62-I204 HydrophobicContact CG2-CG1 4.24Å
63D84.1Confident70.5Confident43 Ų4374.3 Ų74.323%0.2339%0.386CS..EExtended strand (participates in β ladder)trans-93.6114.4178.4-64.2-48.5000108.5V73 A202 E203D63-V73 WeakPolarHBondContact OD1-CG2 3.24Å; D63-A202 WeakPolarHBondContact O-CA 3.45Å; D63-E203 PolarHBondContact N-O 2.87Å; D63-E203 PolarHBondContact O-N 3.34Å
64V86.1Confident72.9Confident0 Ų070.7 Ų70.70%035%0.348CS..EExtended strand (participates in β ladder)trans-108.1122.9-176.9-167.80000110.2V62 L66 A71 L72 L74 L93 L190 A200 T201 A202V62-V64 HydrophobicContact CG1-CG2 3.97Å; V64-L66 HydrophobicContact CB-CD1 4.36Å; V64-L66 HydrophobicContact CG1-CD1 3.8Å; V64-A71 WeakPolarHBondContact O-CA 3.4Å; V64-L72 HydrophobicContact CB-CB 4.37Å; V64-L72 PolarHBondContact N-O 3.46Å; V64-L72 PolarHBondContact O-N 3.28Å; V64-L74 HydrophobicContact CG2-CD1 3.61Å; V64-L74 HydrophobicContact CG2-CG 4.4Å; V64-L93 HydrophobicContact CG1-CD1 3.7Å; V64-L93 HydrophobicContact CG2-CD1 4.41Å; V64-L190 HydrophobicContact CG1-CD1 3.77Å; V64-L190 HydrophobicContact CG2-CD2 4.32Å; V64-A200 HydrophobicContact CG1-CB 4.1Å; V64-T201 CarbonylContact C-O 3.58Å; V64-T201 WeakPolarHBondContact CA-O 3.43Å; V64-T201 WeakPolarHBondContact CG1-O 3.48Å; V64-A202 HydrophobicContact CG2-CB 4.11Å
65R84.8Confident74.7Confident150 Ų15065.7 Ų65.757%0.56633%0.334SS*.EExtended strand (participates in β ladder)trans-98.6122175.8-57.8-177.3-167.3-175.79.4109.4T201 E203R65-T201 PolarHBondContact N-O 3.2Å; R65-T201 PolarHBondContact O-N 3.07Å; R65-T201 VanDerWaalsContact O-N 3.08Å; R65-E203 IonicContact NH2-OE2 3.15Å; R65-E203 PolarHBondContact NH2-OE2 3.49Å; R65-E203 VanDerWaalsContact NH2-OE2 3.15Å
66L83.5Confident76.1Confident16 Ų1664 Ų648%0.08432%0.317CS..  trans-107.9144174.1-77.879.5000109.3V64 R68 Q69 L72 L190 A193 A200V64-L66 HydrophobicContact CB-CD1 4.36Å; V64-L66 HydrophobicContact CG1-CD1 3.8Å; L66-R68 PolarHBondContact O-N 3.35Å; L66-Q69 HydrophobicContact CB-CB 4.08Å; L66-Q69 HydrophobicContact CD2-CB 4.23Å; L66-Q69 HydrophobicContact CD2-CG 4.29Å; L66-L72 HydrophobicContact CD1-CD1 3.77Å; L66-L72 HydrophobicContact CD1-CG 4.15Å; L66-L72 HydrophobicContact CD2-CD1 4.47Å; L66-L190 HydrophobicContact CD1-CD1 4.45Å; L66-A193 HydrophobicContact CD2-CB 3.33Å; L66-A200 HydrophobicContact CG-CB 4.45Å
67P73.4Confident77.1Confident96 Ų9663.4 Ų63.462%0.62331%0.305SS*.THydrogen-bonded Turntrans-71.4-14-176.125-34.1000114.2Q199P67-Q199 WeakPolarHBondContact CD-O 3.49Å
68R67.6Low77.7Confident237 Ų23765.9 Ų65.989%0.89431%0.314SS*.THydrogen-bonded Turntrans-135.213.1-173.5-63.4-173.7177.7-177.1-0.7114.1L66L66-R68 PolarHBondContact O-N 3.35Å
69Q72.2Confident78Confident91 Ų9159 Ų5943%0.42529%0.288SS..SBendtrans-144.3163-178.2-60.8-175.519.600110.5L66L66-Q69 HydrophobicContact CB-CB 4.08Å; L66-Q69 HydrophobicContact CD2-CB 4.23Å; L66-Q69 HydrophobicContact CD2-CG 4.29Å
70D72.8Confident77.7Confident145 Ų14559.5 Ų59.578%0.77529%0.294SS*.PPolyproline II helixtrans-59.1151172.9-64.5-35.6000111.3L72D70-L72 PolarHBondContact O-N 2.96Å
71A80.2Confident76.5Confident73 Ų7363.9 Ų63.960%0.60333%0.325SS*.PPolyproline II helixtrans-57.9125175.900000110.2V64V64-A71 WeakPolarHBondContact O-CA 3.4Å
72L83.6Confident75.1Confident13 Ų1364.7 Ų64.77%0.06833%0.333CS..EExtended strand (participates in β ladder)trans-92.3118.1179.2-65.4175.6000109.1V64 L66 D70 N186 K189 L190V64-L72 HydrophobicContact CB-CB 4.37Å; V64-L72 PolarHBondContact N-O 3.46Å; V64-L72 PolarHBondContact O-N 3.28Å; L66-L72 HydrophobicContact CD1-CD1 3.77Å; L66-L72 HydrophobicContact CD1-CG 4.15Å; L66-L72 HydrophobicContact CD2-CD1 4.47Å; D70-L72 PolarHBondContact O-N 2.96Å; L72-N186 HydrophobicContact CD2-CB 4.34Å; L72-K189 HydrophobicContact CD1-CB 4.23Å; L72-K189 HydrophobicContact CD2-CD 4.34Å; L72-L190 HydrophobicContact CD1-CB 4.09Å
73V83.1Confident73.2Confident59 Ų5967.9 Ų67.936%0.35836%0.36SS..EExtended strand (participates in β ladder)trans-91.8123.4171.2-174.90000108.4R61 D63 N186R61-V73 HydrophobicContact CG-CG1 3.76Å; D63-V73 WeakPolarHBondContact OD1-CG2 3.24Å; V73-N186 PolarHBondContact O-ND2 3.42Å
74L83.4Confident71Confident1 Ų172.7 Ų72.71%0.00539%0.386CS..EExtended strand (participates in β ladder)trans-120145.4-179.9-53.6170.5000109.7R61 V62 V64 L181 N186 V187 L190R61-L74 WeakPolarHBondContact CA-O 3.39Å; V62-L74 HydrophobicContact CB-CB 4.23Å; V62-L74 PolarHBondContact N-O 2.94Å; V62-L74 PolarHBondContact O-N 3.33Å; V64-L74 HydrophobicContact CG2-CD1 3.61Å; V64-L74 HydrophobicContact CG2-CG 4.4Å; L74-L181 HydrophobicContact CB-CD1 4.5Å; L74-L181 HydrophobicContact CB-CD2 4.05Å; L74-L181 HydrophobicContact CD1-CD1 3.87Å; L74-N186 HydrophobicContact CD2-CB 3.39Å; L74-V187 HydrophobicContact CD2-CG2 3.85Å; L74-L190 HydrophobicContact CD1-CD2 3.53Å
75E78.9Confident69.1Low95 Ų9578.7 Ų78.744%0.44443%0.425SS..EExtended strand (participates in β ladder)trans-113.8136.5176.8-64.8-175.7167.100109.6L210E75-L210 HydrophobicContact CB-CD1 3.9Å; E75-L210 HydrophobicContact CG-CD1 4.02Å; E75-L210 WeakPolarHBondContact OE2-CD1 3.34Å
76G74.6Confident67.4Low6 Ų673.3 Ų73.36%0.06241%0.412CS..EExtended strand (participates in β ladder)trans-154.2179.6-177.400000113.3V60 V180V60-G76 PolarHBondContact N-O 3.21Å; V60-G76 PolarHBondContact O-N 3.48Å; V60-G76 VanDerWaalsContact O-O 3.13Å; G76-V180 CarbonylContact C-O 3.48Å; G76-V180 WeakPolarHBondContact CA-O 3.14Å
77V73.6Confident66.1Low22 Ų2277.5 Ų77.513%0.13344%0.441CS..EExtended strand (participates in β ladder)trans-119.3125.1178.9-178.40000108.5A57 R58 V180 L218A57-V77 HydrophobicContact CB-CG1 3.68Å; R58-V77 WeakPolarHBondContact O-CA 3.13Å; V77-V180 PolarHBondContact N-O 2.98Å; V77-V180 PolarHBondContact O-N 3.13Å; V77-L218 HydrophobicContact CB-CD1 3.95Å; V77-L218 HydrophobicContact CG1-CD1 4.06Å; V77-L218 HydrophobicContact CG2-CD1 4.08Å
78R73.9Confident65.3Low58 Ų5878.6 Ų78.622%0.21944%0.44CS..EExtended strand (participates in β ladder)trans-88132.5172.4173.1178.8170.9164.9-1110A57 R58 V60 P177 I179A57-R78 VanDerWaalsContact CA-O 3.3Å; A57-R78 WeakPolarHBondContact CA-O 3.45Å; R58-R78 PolarHBondContact N-O 3.12Å; R58-R78 PolarHBondContact O-N 3.01Å; V60-R78 HydrophobicContact CB-CB 4.4Å; V60-R78 HydrophobicContact CG2-CB 3.49Å; V60-R78 VanDerWaalsContact CG2-CB 3.49Å; R78-P177 HydrophobicContact CG-CB 4.24Å; R78-I179 HydrophobicContact CB-CG1 4.33Å
79I71.4Confident65.5Low5 Ų568.5 Ų68.53%0.02640%0.404CS..EExtended strand (participates in β ladder)trans-115.8121.3176.7-65.8169.3000108L174 V178 V180 L218 T222I79-L174 HydrophobicContact CG2-CD2 3.94Å; I79-V178 PolarHBondContact N-O 3.12Å; I79-V178 PolarHBondContact O-N 3.42Å; I79-V178 VanDerWaalsContact O-N 3.13Å; I79-V180 HydrophobicContact CD1-CG2 3.82Å; I79-L218 HydrophobicContact CD1-CD2 4.43Å; I79-T222 HydrophobicContact CB-CG2 4.35Å; I79-T222 HydrophobicContact CD1-CG2 4.45Å; I79-T222 HydrophobicContact CG1-CG2 4.24Å; I79-T222 HydrophobicContact CG2-CG2 3.34Å
80G62.6Low65.6Low18 Ų1866.2 Ų66.219%0.18641%0.405CS..SBendtrans174.1174.6178.900000114.5
81S52Low66.2Low96 Ų9659.8 Ų59.867%0.67137%0.373SS*.  trans-69141.4178.3-169.30000112A83S81-A83 PolarHBondContact O-N 3.03Å
82E50.8Low66.5Low133 Ų13363 Ų6362%0.62137%0.37SS*.  trans-76.440.1-175.3-154.2-171.4178.800113G53 R54G53-E82 WeakPolarHBondContact CA-OE2 3.42Å; R54-E82 PolarHBondContact N-OE2 2.89Å; R54-E82 WeakPolarHBondContact O-CB 3.21Å
83A43.8Very low66.6Low69 Ų6962.8 Ų62.857%0.5737%0.368SS*.  trans-97.7104175.500000109.6S81S81-A83 PolarHBondContact O-N 3.03Å
84D39.3Very low66.7Low144 Ų14462.3 Ų62.377%0.7736%0.363SS*.SBendtrans69.6151.5166.1-64.4-42.8000118.1A86D84-A86 VanDerWaalsContact C-N 3.26Å; D84-A86 PolarHBondContact O-N 3.23Å
85P44.9Very low66.6Low125 Ų12562.6 Ų62.681%0.81237%0.365SS*.  trans-6095.2167.826.8-33.6000107.6
86A49.7Very low66.4Low37 Ų3758.2 Ų58.231%0.30635%0.345SS..  trans-57.4138.7-174.500000109.7D84D84-A86 VanDerWaalsContact C-N 3.26Å; D84-A86 PolarHBondContact O-N 3.23Å
87P55.2Low66.1Low105 Ų10561 Ų6168%0.68236%0.358SS*.  trans-53.9153.1175.324-33.5000109.8L89P87-L89 PolarHBondContact O-N 2.95Å
88L58.2Low65.7Low118 Ų11862 Ų6262%0.61836%0.363SS*.  trans-44.3105.1170.3-74.8152.8000108.5G90 E203 T205L88-G90 VanDerWaalsContact C-N 3.29Å; L88-G90 PolarHBondContact O-N 2.88Å; L88-E203 HydrophobicContact CD2-CG 4.22Å; L88-T205 HydrophobicContact CD2-CG2 3.95Å
89L71.3Confident65.1Low26 Ų2660 Ų6014%0.13636%0.356CS..EExtended strand (participates in β ladder)trans-78.292.7177.4-66.8164.7000105.1P87 A154 P177 I204P87-L89 PolarHBondContact O-N 2.95Å; L89-A154 HydrophobicContact CD1-CB 4.47Å; L89-P177 HydrophobicContact CD1-CB 4.39Å; L89-P177 HydrophobicContact CD1-CG 3.57Å; L89-I204 HydrophobicContact CB-CB 4.06Å; L89-I204 HydrophobicContact CB-CD1 3.61Å; L89-I204 HydrophobicContact CB-CG1 4.37Å; L89-I204 HydrophobicContact CD1-CD1 4.42Å; L89-I204 WeakPolarHBondContact O-CB 3.22Å; L89-I204 WeakPolarHBondContact O-CD1 3.49Å; L89-I204 WeakPolarHBondContact O-CG1 3.32Å; L89-I204 PolarHBondContact O-N 3.43Å
90G74.8Confident64.6Low42 Ų4262.7 Ų62.743%0.43337%0.371SS..EExtended strand (participates in β ladder)trans-106.8133.2177.600000109.8L88 A202L88-G90 VanDerWaalsContact C-N 3.29Å; L88-G90 PolarHBondContact O-N 2.88Å; G90-A202 WeakPolarHBondContact CA-O 3.34Å
91G84.5Confident64.5Low11 Ų1165.8 Ų65.811%0.11339%0.394CS..EExtended strand (participates in β ladder)trans-171166.2177.300000116.4G109 T201 A202G91-G109 CarbonylContact C-O 3.6Å; G91-G109 WeakPolarHBondContact CA-O 3.18Å; G91-T201 WeakPolarHBondContact O-CA 3.41Å; G91-A202 PolarHBondContact N-O 3.3Å; G91-A202 PolarHBondContact O-N 2.86Å
92R86.1Confident64.7Low141 Ų14166.4 Ų66.453%0.53239%0.387SS..EExtended strand (participates in β ladder)trans-70.2132.4170.5-68.7-178.8178.4-171.60.1109.6G109 W110 I111 T201R92-G109 PolarHBondContact N-O 3.36Å; R92-W110 CarbonylContact O-C 3.58Å; R92-W110 WeakPolarHBondContact O-CA 3.28Å; R92-W110 WeakPolarHBondContact O-CB 3.17Å; R92-I111 PolarHBondContact O-N 3.27Å; R92-T201 HydrophobicContact CG-CG2 4.1Å
93L86.3Confident64.9Low7 Ų768.7 Ų68.74%0.03740%0.398CS..EExtended strand (participates in β ladder)trans-82.4125.5175.7-65.1-175.7000109.6V64 I111 V113 L156 L190 L194 A200 A202V64-L93 HydrophobicContact CG1-CD1 3.7Å; V64-L93 HydrophobicContact CG2-CD1 4.41Å; L93-I111 HydrophobicContact CD2-CB 3.88Å; L93-I111 HydrophobicContact CD2-CD1 4.35Å; L93-I111 HydrophobicContact CD2-CG2 3.95Å; L93-V113 HydrophobicContact CB-CG2 3.91Å; L93-V113 HydrophobicContact CD2-CG2 3.8Å; L93-V113 HydrophobicContact CG-CG2 4.29Å; L93-L156 HydrophobicContact CD2-CD2 4.21Å; L93-L190 HydrophobicContact CD1-CD1 3.96Å; L93-L190 HydrophobicContact CD1-CD2 4.23Å; L93-L194 HydrophobicContact CB-CD2 3.99Å; L93-A200 HydrophobicContact CB-CB 4.24Å; L93-A200 HydrophobicContact CD1-CB 3.94Å; L93-A200 HydrophobicContact CG-CB 4.39Å; L93-A200 PolarHBondContact N-O 2.98Å; L93-A202 HydrophobicContact CD1-CB 4.06Å; L93-A202 HydrophobicContact CD2-CB 3.53Å; L93-A202 HydrophobicContact CG-CB 3.85Å
94L84.4Confident65.5Low49 Ų4974 Ų7426%0.25741%0.41SS..EExtended strand (participates in β ladder)trans-125.8129.7175.4-65.2177.8000110.6V99 P106 W110 I111 V113L94-V99 HydrophobicContact CB-CG2 3.98Å; L94-P106 HydrophobicContact CD1-CG 3.75Å; L94-W110 HydrophobicContact CB-CE3 4.04Å; L94-W110 HydrophobicContact CB-CZ3 4.33Å; L94-W110 HydrophobicContact CD1-CB 4.24Å; L94-W110 HydrophobicContact CD1-CD2 4.05Å; L94-W110 HydrophobicContact CD1-CE3 3.82Å; L94-W110 HydrophobicContact CD1-CG 4.25Å; L94-W110 HydrophobicContact CD1-CZ3 4.42Å; L94-W110 HydrophobicContact CG-CE3 4.31Å; L94-I111 PolarHBondContact N-O 2.85Å; L94-V113 PolarHBondContact O-N 3.38Å
95L82.5Confident66.5Low7 Ų768.8 Ų68.84%0.03739%0.388CS..EExtended strand (participates in β ladder)trans-74.1133.7176.7-141.773.7000109.7D97 I98 V99 V113 Y115 L191 L194 L195L95-D97 VanDerWaalsContact C-N 3.26Å; L95-D97 PolarHBondContact O-N 2.88Å; L95-I98 HydrophobicContact CB-CD1 3.94Å; L95-I98 HydrophobicContact CB-CG1 4.21Å; L95-I98 WeakPolarHBondContact O-CB 3.46Å; L95-I98 PolarHBondContact O-N 3.27Å; L95-V99 PolarHBondContact O-N 2.85Å; L95-V113 HydrophobicContact CD1-CB 4.15Å; L95-V113 HydrophobicContact CD1-CG1 3.96Å; L95-Y115 HydrophobicContact CD1-CD1 4.04Å; L95-Y115 HydrophobicContact CD1-CE1 4.41Å; L95-Y115 HydrophobicContact CD2-CD1 4.1Å; L95-Y115 HydrophobicContact CD2-CE1 3.63Å; L95-Y115 HydrophobicContact CG-CD1 4.12Å; L95-Y115 HydrophobicContact CG-CE1 4.05Å; L95-L191 HydrophobicContact CD1-CD1 4.47Å; L95-L194 HydrophobicContact CD1-CB 4Å; L95-L194 HydrophobicContact CD1-CD1 3.93Å; L95-L195 HydrophobicContact CD2-CD2 3.93Å
96M74.6Confident67.3Low4 Ų465.1 Ų65.12%0.0236%0.364CS..Hα-helixtrans-59.5-34.7-175.4-66.5-179-176.800113.5I98 V99 D100 A112 V113 A114 Q143 M144 L155M96-I98 PolarHBondContact O-N 3.18Å; M96-V99 PolarHBondContact O-N 3.48Å; M96-V99 VanDerWaalsContact O-N 3.09Å; M96-D100 PolarHBondContact O-N 3.2Å; M96-D100 VanDerWaalsContact O-N 3.08Å; M96-A112 HydrophobicContact CE-CB 3.85Å; M96-V113 WeakPolarHBondContact CG-O 3.42Å; M96-V113 PolarHBondContact N-O 2.85Å; M96-A114 HydrophobicContact CE-CB 3.52Å; M96-A114 HydrophobicContact CG-CB 4.35Å; M96-A114 HydrophobicContact SD-CB 3.4Å; M96-A114 WeakPolarHBondContact SD-CB 3.28Å; M96-Q143 HydrophobicContact CB-CG 4.17Å; M96-Q143 VanDerWaalsContact CB-NE2 3.28Å; M96-Q143 HydrophobicContact SD-CG 4.44Å; M96-M144 HydrophobicContact CE-CB 4.45Å; M96-M144 HydrophobicContact CE-CG 3.89Å; M96-M144 HydrophobicContact SD-CG 3.96Å; M96-L155 HydrophobicContact CE-CD2 3.24Å
97D68.4Low67.8Low65 Ų6570.2 Ų70.235%0.34839%0.391SS..Hα-helixtrans-58.9-29.5175.7-61.7-17.1000112.6L95 Y115 Q120L95-D97 VanDerWaalsContact C-N 3.26Å; L95-D97 PolarHBondContact O-N 2.88Å; D97-Y115 WeakPolarHBondContact OD2-CE1 3.1Å; D97-Y115 PolarHBondContact OD2-OH 3.19Å; D97-Q120 PolarHBondContact OD2-NE2 3.18Å
98I65.3Low68.4Low43 Ų4373.6 Ų73.622%0.22140%0.398CS..Hα-helixtrans-83.6-36.3178.3-57.4171.9000110.2L95 M96 D100 A101 E102L95-I98 HydrophobicContact CB-CD1 3.94Å; L95-I98 HydrophobicContact CB-CG1 4.21Å; L95-I98 WeakPolarHBondContact O-CB 3.46Å; L95-I98 PolarHBondContact O-N 3.27Å; M96-I98 PolarHBondContact O-N 3.18Å; I98-D100 VanDerWaalsContact C-N 3.26Å; I98-D100 PolarHBondContact O-N 2.93Å; I98-A101 PolarHBondContact O-N 3.33Å; I98-A101 VanDerWaalsContact O-N 3.11Å; I98-E102 HydrophobicContact CG2-CG 4.23Å; I98-E102 PolarHBondContact O-N 3.47Å
99V61.8Low69Low15 Ų1569.8 Ų69.89%0.09139%0.386CS..Hα-helixtrans-64.3-30.8176.71790000112L94 L95 M96 W110 L150L94-V99 HydrophobicContact CB-CG2 3.98Å; L95-V99 PolarHBondContact O-N 2.85Å; M96-V99 PolarHBondContact O-N 3.48Å; M96-V99 VanDerWaalsContact O-N 3.09Å; V99-W110 HydrophobicContact CG1-CH2 4.03Å; V99-W110 HydrophobicContact CG2-CH2 4.17Å; V99-W110 HydrophobicContact CG2-CZ3 3.91Å; V99-L150 HydrophobicContact CG1-CD1 3.69Å
100D60.5Low69.7Low62 Ų6268.6 Ų68.633%0.33238%0.38SS..Hα-helixtrans-75.6-25.9174.6-72.3-50.1000113.2M96 I98 Q143 R146M96-D100 PolarHBondContact O-N 3.2Å; M96-D100 VanDerWaalsContact O-N 3.08Å; I98-D100 VanDerWaalsContact C-N 3.26Å; I98-D100 PolarHBondContact O-N 2.93Å; D100-Q143 WeakPolarHBondContact OD2-CG 3.38Å; D100-Q143 PolarHBondContact OD2-NE2 3.28Å; D100-R146 IonicContact OD1-CZ 3.65Å; D100-R146 IonicContact OD1-NH1 2.74Å; D100-R146 PolarHBondContact OD1-NH1 3.41Å
101A59.5Low70.3Confident82 Ų8266.7 Ų66.768%0.67836%0.36SS*.Hα-helixtrans-89.1-36.7-179.600000113.1I98I98-A101 PolarHBondContact O-N 3.33Å; I98-A101 VanDerWaalsContact O-N 3.11Å
102E57.7Low70.4Confident109 Ų10966.1 Ų66.151%0.50936%0.355SS..  trans-102.2100.9-179.1-64.3-177.3173.200108.6I98 E104I98-E102 HydrophobicContact CG2-CG 4.23Å; I98-E102 PolarHBondContact O-N 3.47Å; E102-E104 PolarHBondContact O-N 3.41Å
103Q55Low70.4Confident182 Ų18259.4 Ų59.485%0.8533%0.329SS*.SBendtrans-69.37-173.5-140149.827.200114.3
104E54.6Low70.3Confident179 Ų17959.2 Ų59.284%0.83633%0.329SS*.  trans-116.490.5179.8-72.2-17916500110.4E102E102-E104 PolarHBondContact O-N 3.41Å
105A60.3Low70.1Confident36 Ų3658.8 Ų58.830%0.29832%0.324SS..  trans-75.8138.7171.300000110.4W110 L150A105-W110 HydrophobicContact CB-CZ2 4.1Å; A105-L150 HydrophobicContact CB-CB 4.24Å
106P63.5Low69.6Low48 Ų4858.9 Ų58.931%0.31233%0.325SS..  trans-65.6143.9179.823.8-30.7000112.1L94 E108 W110L94-P106 HydrophobicContact CD1-CG 3.75Å; P106-E108 VanDerWaalsContact C-N 3.35Å; P106-E108 PolarHBondContact O-N 3.07Å; P106-W110 HydrophobicContact CG-CB 4.07Å; P106-W110 HydrophobicContact CG-CG 3.98Å; P106-W110 VanDerWaalsContact O-CD1 3.27Å; P106-W110 PolarHBondContact O-NE1 2.92Å
107V59Low69.1Low144 Ų14459.2 Ų59.287%0.87333%0.329SS*.SBendtrans-71.4-23.2-165.2-167.90000113.5
108E67.2Low68.3Low176 Ų17664.5 Ų64.582%0.82235%0.349SS*.SBendtrans-139.9131.7-178.3-64.1-173173.300113.8P106P106-E108 VanDerWaalsContact C-N 3.35Å; P106-E108 PolarHBondContact O-N 3.07Å
109G72.6Confident67.7Low37 Ų3770.3 Ų70.338%0.38138%0.375SS..  trans62.355.8160.300000116.1G91 R92G91-G109 CarbonylContact C-O 3.6Å; G91-G109 WeakPolarHBondContact CA-O 3.18Å; R92-G109 PolarHBondContact N-O 3.36Å
110W85.1Confident67.2Low2 Ų270.5 Ų70.51%0.00838%0.375CS..EExtended strand (participates in β ladder)trans-110.5155.6170.565.4-83.1000111.7R92 L94 V99 A105 P106 A112 A147 L150 A152 S153R92-W110 CarbonylContact O-C 3.58Å; R92-W110 WeakPolarHBondContact O-CA 3.28Å; R92-W110 WeakPolarHBondContact O-CB 3.17Å; L94-W110 HydrophobicContact CB-CE3 4.04Å; L94-W110 HydrophobicContact CB-CZ3 4.33Å; L94-W110 HydrophobicContact CD1-CB 4.24Å; L94-W110 HydrophobicContact CD1-CD2 4.05Å; L94-W110 HydrophobicContact CD1-CE3 3.82Å; L94-W110 HydrophobicContact CD1-CG 4.25Å; L94-W110 HydrophobicContact CD1-CZ3 4.42Å; L94-W110 HydrophobicContact CG-CE3 4.31Å; V99-W110 HydrophobicContact CG1-CH2 4.03Å; V99-W110 HydrophobicContact CG2-CH2 4.17Å; V99-W110 HydrophobicContact CG2-CZ3 3.91Å; A105-W110 HydrophobicContact CB-CZ2 4.1Å; P106-W110 HydrophobicContact CG-CB 4.07Å; P106-W110 HydrophobicContact CG-CG 3.98Å; P106-W110 VanDerWaalsContact O-CD1 3.27Å; P106-W110 PolarHBondContact O-NE1 2.92Å; W110-A112 HydrophobicContact CE3-CB 4.2Å; W110-A112 HydrophobicContact CH2-CB 4.27Å; W110-A112 HydrophobicContact CZ3-CB 3.56Å; W110-A147 HydrophobicContact CH2-CB 4.04Å; W110-L150 HydrophobicContact CH2-CB 4.42Å; W110-L150 HydrophobicContact CZ2-CB 3.82Å; W110-A152 HydrophobicContact CD2-CB 4.1Å; W110-A152 HydrophobicContact CE3-CB 4.02Å; W110-A152 HydrophobicContact CH2-CB 3.74Å; W110-A152 HydrophobicContact CZ2-CB 3.78Å; W110-A152 HydrophobicContact CZ3-CB 3.87Å; W110-A152 CarbonylContact O-C 3.57Å; W110-S153 PolarHBondContact O-N 3.02Å; W110-S153 PolarHBondContact O-OG 3.49Å
111I87.1Confident66.7Low1 Ų169.9 Ų69.91%0.00537%0.373CS..EExtended strand (participates in β ladder)trans-117.7124.5-180-62.2165000107.2R92 L93 L94 A154 L156 A202 I204R92-I111 PolarHBondContact O-N 3.27Å; L93-I111 HydrophobicContact CD2-CB 3.88Å; L93-I111 HydrophobicContact CD2-CD1 4.35Å; L93-I111 HydrophobicContact CD2-CG2 3.95Å; L94-I111 PolarHBondContact N-O 2.85Å; I111-A154 HydrophobicContact CG1-CB 4.34Å; I111-A154 HydrophobicContact CG2-CB 4.28Å; I111-L156 HydrophobicContact CG2-CB 4Å; I111-A202 HydrophobicContact CD1-CB 4.17Å; I111-I204 HydrophobicContact CD1-CD1 3.68Å; I111-I204 HydrophobicContact CD1-CG1 4.48Å
112A86.5Confident66Low0 Ų068.8 Ų68.80%037%0.365CS..EExtended strand (participates in β ladder)trans-82124.9-179.400000110M96 W110 A147 A152 A154 L155 L156M96-A112 HydrophobicContact CE-CB 3.85Å; W110-A112 HydrophobicContact CE3-CB 4.2Å; W110-A112 HydrophobicContact CH2-CB 4.27Å; W110-A112 HydrophobicContact CZ3-CB 3.56Å; A112-A147 HydrophobicContact CB-CB 3.77Å; A112-A152 HydrophobicContact CB-CB 3.91Å; A112-A154 PolarHBondContact N-O 2.94Å; A112-L155 HydrophobicContact CB-CD2 3.7Å; A112-L155 CarbonylContact O-C 3.58Å; A112-L155 WeakPolarHBondContact O-CA 3.27Å; A112-L156 PolarHBondContact O-N 3.5Å
113V87.5Confident65.5Low0 Ų070.3 Ų70.30%037%0.371CS..EExtended strand (participates in β ladder)trans-106.3115.5-178.9-1750000109.7L93 L94 L95 M96 L156 L158 L194L93-V113 HydrophobicContact CB-CG2 3.91Å; L93-V113 HydrophobicContact CD2-CG2 3.8Å; L93-V113 HydrophobicContact CG-CG2 4.29Å; L94-V113 PolarHBondContact O-N 3.38Å; L95-V113 HydrophobicContact CD1-CB 4.15Å; L95-V113 HydrophobicContact CD1-CG1 3.96Å; M96-V113 WeakPolarHBondContact CG-O 3.42Å; M96-V113 PolarHBondContact N-O 2.85Å; V113-L156 WeakPolarHBondContact CA-O 3.38Å; V113-L156 HydrophobicContact CG1-CD2 4.43Å; V113-L156 HydrophobicContact CG2-CB 4.2Å; V113-L156 HydrophobicContact CG2-CD2 4.04Å; V113-L158 HydrophobicContact CG1-CD1 3.31Å; V113-L158 HydrophobicContact CG1-CG 4.03Å; V113-L194 HydrophobicContact CB-CD1 4.33Å; V113-L194 HydrophobicContact CG1-CD1 3.91Å; V113-L194 HydrophobicContact CG2-CD1 4.24Å
114A83.8Confident65.1Low3 Ų366.1 Ų66.13%0.02535%0.351CS..EExtended strand (participates in β ladder)trans-104.9133.7168.700000109.1M96 L156 L157 L158M96-A114 HydrophobicContact CE-CB 3.52Å; M96-A114 HydrophobicContact CG-CB 4.35Å; M96-A114 HydrophobicContact SD-CB 3.4Å; M96-A114 WeakPolarHBondContact SD-CB 3.28Å; A114-L156 PolarHBondContact N-O 3.4Å; A114-L157 HydrophobicContact CB-CD2 3.65Å; A114-L157 WeakPolarHBondContact O-CA 3.44Å; A114-L158 PolarHBondContact O-N 3.17Å
115Y80.4Confident64.8Low39 Ų3962.7 Ų62.715%0.15334%0.335CS..EExtended strand (participates in β ladder)trans-113.7146.6168.468.7-78.2000109.2L95 D97 Q120 L191L95-Y115 HydrophobicContact CD1-CD1 4.04Å; L95-Y115 HydrophobicContact CD1-CE1 4.41Å; L95-Y115 HydrophobicContact CD2-CD1 4.1Å; L95-Y115 HydrophobicContact CD2-CE1 3.63Å; L95-Y115 HydrophobicContact CG-CD1 4.12Å; L95-Y115 HydrophobicContact CG-CE1 4.05Å; D97-Y115 WeakPolarHBondContact OD2-CE1 3.1Å; D97-Y115 PolarHBondContact OD2-OH 3.19Å; Y115-Q120 VanDerWaalsContact CE1-NE2 3.34Å; Y115-Q120 HydrophobicContact CE2-CG 4Å; Y115-Q120 VanDerWaalsContact CE2-NE2 3.27Å; Y115-Q120 PolarHBondContact O-OE1 3.21Å; Y115-Q120 VanDerWaalsContact O-OE1 3.11Å; Y115-Q120 PolarHBondContact OH-NE2 2.82Å; Y115-L191 HydrophobicContact CD1-CD1 3.91Å; Y115-L191 HydrophobicContact CD2-CD1 4.14Å; Y115-L191 HydrophobicContact CD2-CD2 4.27Å; Y115-L191 HydrophobicContact CG-CD1 3.69Å; Y115-L191 HydrophobicContact CG-CD2 4.46Å
116V72Confident64.1Low9 Ų968.9 Ų68.96%0.05536%0.357CS..EExtended strand (participates in β ladder)trans-125.792.6-179-176.20000108.6L140 L158 L160 V164V116-L140 HydrophobicContact CG2-CD2 3.81Å; V116-L158 PolarHBondContact N-O 2.91Å; V116-L158 VanDerWaalsContact N-O 3.11Å; V116-L160 WeakPolarHBondContact O-CB 3.27Å; V116-L160 PolarHBondContact O-N 2.89Å; V116-V164 HydrophobicContact CG1-CB 3.56Å; V116-V164 HydrophobicContact CG1-CG1 3.48Å; V116-V164 VanDerWaalsContact CG1-CG1 3.48Å; V116-V164 HydrophobicContact CG1-CG2 3.72Å
117G63.4Low63.2Low11 Ų1174.7 Ų74.711%0.11338%0.38CS..  trans-109.7169-178.200000113.9E119G117-E119 VanDerWaalsContact C-N 3.34Å
118K51.1Low62.6Low177 Ų17772.1 Ų72.177%0.7736%0.361SS*.Hα-helixtrans-68.9-27.8177.9-74.8-178.3176.7176.60113.5
119E52.3Low61.3Low165 Ų16573.9 Ų73.977%0.77137%0.366SS*.Hα-helixtrans-75-35.1-175.5-84.8167.5148.600114G117 V121 A122 Q123G117-E119 VanDerWaalsContact C-N 3.34Å; E119-V121 VanDerWaalsContact C-N 3.29Å; E119-V121 PolarHBondContact O-N 3.38Å; E119-A122 WeakPolarHBondContact O-CB 3.36Å; E119-A122 PolarHBondContact O-N 2.74Å; E119-Q123 PolarHBondContact O-N 3.33Å; E119-Q123 VanDerWaalsContact O-N 3.11Å
120Q51.9Low59.8Low19 Ų1975.5 Ų75.59%0.08938%0.384CS..Hα-helixtrans-67.2-31.1178.1-71-177.1-31.200112.6D97 Y115 A122 Q123 F124 Y136D97-Q120 PolarHBondContact OD2-NE2 3.18Å; Y115-Q120 VanDerWaalsContact CE1-NE2 3.34Å; Y115-Q120 HydrophobicContact CE2-CG 4Å; Y115-Q120 VanDerWaalsContact CE2-NE2 3.27Å; Y115-Q120 PolarHBondContact O-OE1 3.21Å; Y115-Q120 VanDerWaalsContact O-OE1 3.11Å; Y115-Q120 PolarHBondContact OH-NE2 2.82Å; Q120-A122 PolarHBondContact O-N 2.78Å; Q120-Q123 PolarHBondContact O-N 3.02Å; Q120-F124 PolarHBondContact O-N 3.47Å; Q120-F124 VanDerWaalsContact O-N 3.12Å; Q120-Y136 HydrophobicContact CB-CE2 4.24Å; Q120-Y136 PolarHBondContact OE1-OH 2.84Å
121V49.7Very low57.8Low48 Ų4877.8 Ų77.829%0.29140%0.4SS..Hα-helixtrans-59.7-40.4171.9-178.50000109.6E119 H125 Y136E119-V121 VanDerWaalsContact C-N 3.29Å; E119-V121 PolarHBondContact O-N 3.38Å; V121-H125 WeakPolarHBondContact O-CB 3.4Å; V121-H125 PolarHBondContact O-CD2 3.24Å; V121-H125 VanDerWaalsContact O-CG 3.29Å; V121-H125 PolarHBondContact O-N 3.35Å; V121-Y136 HydrophobicContact CG2-CE1 4.23Å; V121-Y136 HydrophobicContact CG2-CE2 4.31Å
122A44.7Very low55.7Low60 Ų6080.1 Ų80.150%0.49642%0.424SS..Hα-helixtrans-73.9-39.3-179.300000113.8E119 Q120 H125E119-A122 WeakPolarHBondContact O-CB 3.36Å; E119-A122 PolarHBondContact O-N 2.74Å; Q120-A122 PolarHBondContact O-N 2.78Å; A122-H125 PolarHBondContact O-N 3.4Å
123Q48.7Very low54Low140 Ų14085.5 Ų85.565%0.65446%0.459SS*.Hα-helixtrans-69.9-39.3178.2-81.5171.6-31.900112.7E119 Q120 H125 Q126E119-Q123 PolarHBondContact O-N 3.33Å; E119-Q123 VanDerWaalsContact O-N 3.11Å; Q120-Q123 PolarHBondContact O-N 3.02Å; Q123-H125 VanDerWaalsContact C-N 3.33Å; Q123-H125 PolarHBondContact O-N 3.07Å; Q123-Q126 PolarHBondContact O-N 2.89Å
124F46.1Very low52.1Low95 Ų9590.8 Ų90.842%0.41748%0.484SS..Hα-helixtrans-68.6-29.2174.3-95-86.3000113.4Q120 Q126 N128 Y136Q120-F124 PolarHBondContact O-N 3.47Å; Q120-F124 VanDerWaalsContact O-N 3.12Å; F124-Q126 PolarHBondContact O-N 3.38Å; F124-N128 PolarHBondContact O-N 3.07Å; F124-Y136 HydrophobicContact CB-CD2 4.25Å; F124-Y136 HydrophobicContact CD2-CD2 4.44Å; F124-Y136 HydrophobicContact CD2-CE2 4.24Å; F124-Y136 HydrophobicContact CG-CD2 4.37Å
125H47.3Very low50.7Low107 Ų10792.2 Ų92.250%0.49550%0.496SS..Hα-helixtrans-66.6-21.2173.1-82.2-52.1000113.2V121 A122 Q123V121-H125 WeakPolarHBondContact O-CB 3.4Å; V121-H125 PolarHBondContact O-CD2 3.24Å; V121-H125 VanDerWaalsContact O-CG 3.29Å; V121-H125 PolarHBondContact O-N 3.35Å; A122-H125 PolarHBondContact O-N 3.4Å; Q123-H125 VanDerWaalsContact C-N 3.33Å; Q123-H125 PolarHBondContact O-N 3.07Å
126Q45.7Very low49.8Very low165 Ų16592.1 Ų92.177%0.77150%0.495SS*.Hα-helixtrans-82.9-39179.2-159.6100.68.600112.4Q123 F124Q123-Q126 PolarHBondContact O-N 2.89Å; F124-Q126 PolarHBondContact O-N 3.38Å
127E45.7Very low49.3Very low170 Ų17092.5 Ų92.579%0.79450%0.498SS*.Hα-helixtrans-75.9-29.9-179.9-92.2-175.2130.800113.3
128N45.7Very low49.4Very low90 Ų9099.2 Ų99.248%0.48152%0.524SS..  trans-11472.1-172.9-144.8-4.5000111.9F124 G130 S131F124-N128 PolarHBondContact O-N 3.07Å; N128-G130 PolarHBondContact O-N 3.49Å; N128-S131 PolarHBondContact ND2-OG 3.34Å
129K40.8Very low50.3Low213 Ų21392.7 Ų92.793%0.92650%0.504SS*.THydrogen-bonded Turntrans-66.322.1178.2-118.8-179.5-174.21790114.9
130G40.9Very low51.3Low72 Ų7285.4 Ų85.474%0.74247%0.47SS*.THydrogen-bonded Turntrans-142.6-3.9-171.400000117.8N128N128-G130 PolarHBondContact O-N 3.49Å
131S42.2Very low52.3Low49 Ų4985.7 Ų85.734%0.34347%0.473SS..  trans-134.6123.7179.764.60000111.7N128 A135N128-S131 PolarHBondContact ND2-OG 3.34Å; S131-A135 VanDerWaalsContact OG-CB 3.24Å; S131-A135 WeakPolarHBondContact OG-CB 3.5Å
132G43.4Very low53.5Low51 Ų5190.3 Ų90.353%0.52649%0.491SS..  trans-59.2-175-175.200000115.5Q134 A135G132-Q134 PolarHBondContact O-N 3.47Å; G132-A135 PolarHBondContact O-N 3.09Å
133P50Low55.1Low113 Ų11389 Ų8973%0.73448%0.475SS*.THydrogen-bonded Turntrans-59.33.3-168.720.9-32.4000116.9
134Q48.8Very low56.4Low110 Ų11082.3 Ų82.351%0.51444%0.444SS..THydrogen-bonded Turntrans-100.2-1.3179.4-64.7-170.618.200115.1G132G132-Q134 PolarHBondContact O-N 3.47Å
135A54.1Low58Low34 Ų3484.4 Ų84.428%0.28145%0.449SS..Hα-helixtrans-81.6-33.6-177.900000113.9S131 G132 K138 A139S131-A135 VanDerWaalsContact OG-CB 3.24Å; S131-A135 WeakPolarHBondContact OG-CB 3.5Å; G132-A135 PolarHBondContact O-N 3.09Å; A135-K138 PolarHBondContact O-N 2.63Å; A135-A139 PolarHBondContact O-N 3.07Å
136Y60.7Low59.5Low36 Ų3684.5 Ų84.514%0.14145%0.445CS..Hα-helixtrans-57.7-50-179.5-176.6-94.8000114.5Q120 V121 F124 K138 A139 L140 V164Q120-Y136 HydrophobicContact CB-CE2 4.24Å; Q120-Y136 PolarHBondContact OE1-OH 2.84Å; V121-Y136 HydrophobicContact CG2-CE1 4.23Å; V121-Y136 HydrophobicContact CG2-CE2 4.31Å; F124-Y136 HydrophobicContact CB-CD2 4.25Å; F124-Y136 HydrophobicContact CD2-CD2 4.44Å; F124-Y136 HydrophobicContact CD2-CE2 4.24Å; F124-Y136 HydrophobicContact CG-CD2 4.37Å; Y136-K138 VanDerWaalsContact C-N 3.27Å; Y136-K138 PolarHBondContact O-N 3.39Å; Y136-A139 PolarHBondContact O-N 2.99Å; Y136-L140 PolarHBondContact O-N 3.46Å; Y136-V164 HydrophobicContact CE1-CG1 4.3Å
137P62.7Low61.1Low18 Ų1876.8 Ų76.812%0.11741%0.409CS..Hα-helixtrans-65.7-29.4-178.923.3-33000112.9V141 L168P137-V141 VanDerWaalsContact O-CG2 3.31Å; P137-V141 WeakPolarHBondContact O-CG2 3.5Å; P137-V141 PolarHBondContact O-N 2.92Å; P137-L168 HydrophobicContact CB-CD1 4.44Å
138K65.1Low62.6Low152 Ų15269.6 Ų69.666%0.66138%0.376SS*.Hα-helixtrans-72.4-40.7178.3-67.8-174.7177.8-177.70112.4A135 Y136 L140 Q142A135-K138 PolarHBondContact O-N 2.63Å; Y136-K138 VanDerWaalsContact C-N 3.27Å; Y136-K138 PolarHBondContact O-N 3.39Å; K138-L140 VanDerWaalsContact C-N 3.35Å; K138-Q142 WeakPolarHBondContact O-CB 3.27Å; K138-Q142 PolarHBondContact O-N 2.87Å; K138-Q142 VanDerWaalsContact O-N 3.09Å
139A69.4Low64.1Low40 Ų4072.6 Ų72.633%0.33139%0.385SS..Hα-helixtrans-63.3-42.6176.100000111.3A135 Y136 Q142 Q143A135-A139 PolarHBondContact O-N 3.07Å; Y136-A139 PolarHBondContact O-N 2.99Å; A139-Q142 WeakPolarHBondContact O-CB 3.5Å; A139-Q142 PolarHBondContact O-N 2.91Å; A139-Q143 PolarHBondContact O-N 3.39Å
140L73.1Confident65.9Low11 Ų1166 Ų666%0.05836%0.36CS..Hα-helixtrans-62.3-46.6177.8-173.167.2000112.1V116 Y136 K138 Q142 Q143 M144 L168V116-L140 HydrophobicContact CG2-CD2 3.81Å; Y136-L140 PolarHBondContact O-N 3.46Å; K138-L140 VanDerWaalsContact C-N 3.35Å; L140-Q142 VanDerWaalsContact C-N 3.27Å; L140-Q142 PolarHBondContact O-N 3.07Å; L140-Q143 WeakPolarHBondContact O-CB 3.37Å; L140-Q143 PolarHBondContact O-N 3.27Å; L140-M144 HydrophobicContact CG-SD 4.28Å; L140-M144 VanDerWaalsContact O-CG 3.22Å; L140-M144 WeakPolarHBondContact O-CG 3.48Å; L140-M144 PolarHBondContact O-N 2.94Å; L140-L168 HydrophobicContact CD2-CD1 3.91Å; L140-L168 HydrophobicContact CD2-CD2 4.49Å; L140-L168 HydrophobicContact CG-CD1 4.46Å
141V73.8Confident67.6Low25 Ų2564.3 Ų64.315%0.15234%0.342CS..Hα-helixtrans-60.5-38.9176.1172.90000111.3P137 M144 R145 L168 L173P137-V141 VanDerWaalsContact O-CG2 3.31Å; P137-V141 WeakPolarHBondContact O-CG2 3.5Å; P137-V141 PolarHBondContact O-N 2.92Å; V141-M144 PolarHBondContact O-N 3.13Å; V141-R145 WeakPolarHBondContact O-CB 3.39Å; V141-R145 PolarHBondContact O-N 3.44Å; V141-L168 HydrophobicContact CG2-CD1 3.56Å; V141-L168 HydrophobicContact CG2-CG 3.85Å; V141-L173 HydrophobicContact CG1-CD2 4.47Å
142Q74.6Confident69.5Low145 Ų14562 Ų6268%0.67833%0.326SS*.Hα-helixtrans-66.2-40.2177.6-173.2174-17.700112K138 A139 L140 R145 R146K138-Q142 WeakPolarHBondContact O-CB 3.27Å; K138-Q142 PolarHBondContact O-N 2.87Å; K138-Q142 VanDerWaalsContact O-N 3.09Å; A139-Q142 WeakPolarHBondContact O-CB 3.5Å; A139-Q142 PolarHBondContact O-N 2.91Å; L140-Q142 VanDerWaalsContact C-N 3.27Å; L140-Q142 PolarHBondContact O-N 3.07Å; Q142-R145 PolarHBondContact O-N 2.91Å; Q142-R146 PolarHBondContact O-N 2.95Å
143Q77.6Confident71.2Confident33 Ų3360.9 Ų60.915%0.15431%0.31CS..Hα-helixtrans-64.7-44.3175.7-164.8178.9-2.900111.6M96 D100 A139 L140 R145 R146 A147M96-Q143 HydrophobicContact CB-CG 4.17Å; M96-Q143 VanDerWaalsContact CB-NE2 3.28Å; M96-Q143 HydrophobicContact SD-CG 4.44Å; D100-Q143 WeakPolarHBondContact OD2-CG 3.38Å; D100-Q143 PolarHBondContact OD2-NE2 3.28Å; A139-Q143 PolarHBondContact O-N 3.39Å; L140-Q143 WeakPolarHBondContact O-CB 3.37Å; L140-Q143 PolarHBondContact O-N 3.27Å; Q143-R145 VanDerWaalsContact C-N 3.34Å; Q143-R145 PolarHBondContact O-N 3.49Å; Q143-R146 WeakPolarHBondContact O-CB 3.45Å; Q143-R146 PolarHBondContact O-N 2.91Å; Q143-A147 PolarHBondContact O-N 2.93Å
144M77.9Confident72.7Confident0 Ų055.5 Ų55.50%028%0.275CS..Hα-helixtrans-59.8-43.5174.2-66.717375.500111.8M96 L140 V141 R146 A147 L148 L155 L157 L168 L173M96-M144 HydrophobicContact CE-CB 4.45Å; M96-M144 HydrophobicContact CE-CG 3.89Å; M96-M144 HydrophobicContact SD-CG 3.96Å; L140-M144 HydrophobicContact CG-SD 4.28Å; L140-M144 VanDerWaalsContact O-CG 3.22Å; L140-M144 WeakPolarHBondContact O-CG 3.48Å; L140-M144 PolarHBondContact O-N 2.94Å; V141-M144 PolarHBondContact O-N 3.13Å; M144-R146 VanDerWaalsContact C-N 3.35Å; M144-R146 PolarHBondContact O-N 3.43Å; M144-A147 PolarHBondContact O-N 3.34Å; M144-L148 WeakPolarHBondContact O-CG 3.37Å; M144-L148 PolarHBondContact O-N 3.09Å; M144-L148 VanDerWaalsContact O-N 3.13Å; M144-L155 HydrophobicContact CB-CD1 4.4Å; M144-L155 HydrophobicContact CB-CD2 4.44Å; M144-L155 HydrophobicContact CE-CD1 4.1Å; M144-L157 HydrophobicContact CE-CD1 3.88Å; M144-L157 HydrophobicContact CE-CD2 3.56Å; M144-L157 HydrophobicContact CE-CG 4Å; M144-L157 HydrophobicContact SD-CD2 4.16Å; M144-L168 HydrophobicContact CE-CD2 4.45Å; M144-L168 HydrophobicContact SD-CD2 3.94Å; M144-L173 HydrophobicContact CB-CD1 4.06Å; M144-L173 HydrophobicContact CB-CD2 4.38Å; M144-L173 HydrophobicContact CE-CD1 3.61Å; M144-L173 HydrophobicContact SD-CD1 3.99Å
145R78.7Confident74.4Confident139 Ų13950.2 Ų50.253%0.52525%0.25SS..Hα-helixtrans-63-41.3176.6-173177.6-176.6-177.6-1.8111.7V141 Q142 Q143 L148 F149 L173V141-R145 WeakPolarHBondContact O-CB 3.39Å; V141-R145 PolarHBondContact O-N 3.44Å; Q142-R145 PolarHBondContact O-N 2.91Å; Q143-R145 VanDerWaalsContact C-N 3.34Å; Q143-R145 PolarHBondContact O-N 3.49Å; R145-L148 PolarHBondContact O-N 3.41Å; R145-F149 HydrophobicContact CG-CD2 3.85Å; R145-F149 HydrophobicContact CG-CE2 3.58Å; R145-F149 WeakPolarHBondContact O-CD2 3.31Å; R145-F149 PolarHBondContact O-N 2.97Å; R145-L173 HydrophobicContact CB-CD2 4.06Å
146R78.4Confident75.9Confident108 Ų10848.7 Ų48.741%0.40824%0.237SC..Hα-helixtrans-61.2-45.5176.1-171.5-177.8-176.1-168.71.8111.4D100 Q142 Q143 M144 L148 F149 L150D100-R146 IonicContact OD1-CZ 3.65Å; D100-R146 IonicContact OD1-NH1 2.74Å; D100-R146 PolarHBondContact OD1-NH1 3.41Å; Q142-R146 PolarHBondContact O-N 2.95Å; Q143-R146 WeakPolarHBondContact O-CB 3.45Å; Q143-R146 PolarHBondContact O-N 2.91Å; M144-R146 VanDerWaalsContact C-N 3.35Å; M144-R146 PolarHBondContact O-N 3.43Å; R146-L148 VanDerWaalsContact C-N 3.31Å; R146-L148 PolarHBondContact O-N 3.38Å; R146-F149 WeakPolarHBondContact O-CB 3.41Å; R146-F149 PolarHBondContact O-N 3.4Å; R146-F149 VanDerWaalsContact O-N 3.12Å; R146-L150 HydrophobicContact CG-CD1 4.26Å; R146-L150 WeakPolarHBondContact O-CG 3.44Å; R146-L150 PolarHBondContact O-N 2.88Å
147A79.3Confident76.9Confident3 Ų347.3 Ų47.33%0.02523%0.232CC..Hα-helixtrans-60.1-40.3177.200000112.5W110 A112 Q143 M144 L150 A152 L155W110-A147 HydrophobicContact CH2-CB 4.04Å; A112-A147 HydrophobicContact CB-CB 3.77Å; Q143-A147 PolarHBondContact O-N 2.93Å; M144-A147 PolarHBondContact O-N 3.34Å; A147-L150 PolarHBondContact O-N 2.94Å; A147-A152 VanDerWaalsContact O-CB 3.24Å; A147-A152 WeakPolarHBondContact O-CB 3.3Å; A147-A152 PolarHBondContact O-N 3.31Å; A147-L155 HydrophobicContact CB-CD2 4.5Å
148L78.3Confident77.9Confident20 Ų2046.5 Ų46.511%0.10523%0.227CC..Hα-helixtrans-63-43.2173-69.3176.9000112.3M144 R145 R146 L150 G151 L155 L173 R176M144-L148 WeakPolarHBondContact O-CG 3.37Å; M144-L148 PolarHBondContact O-N 3.09Å; M144-L148 VanDerWaalsContact O-N 3.13Å; R145-L148 PolarHBondContact O-N 3.41Å; R146-L148 VanDerWaalsContact C-N 3.31Å; R146-L148 PolarHBondContact O-N 3.38Å; L148-L150 VanDerWaalsContact C-N 3.26Å; L148-L150 PolarHBondContact O-N 3Å; L148-G151 PolarHBondContact O-N 2.84Å; L148-G151 VanDerWaalsContact O-N 3.13Å; L148-L155 HydrophobicContact CD1-CD1 3.6Å; L148-L155 HydrophobicContact CD2-CD1 3.7Å; L148-L155 HydrophobicContact CD2-CD2 4.46Å; L148-L155 HydrophobicContact CD2-CG 3.75Å; L148-L155 HydrophobicContact CG-CD1 3.63Å; L148-L155 HydrophobicContact CG-CD2 4.46Å; L148-L155 HydrophobicContact CG-CG 4.07Å; L148-L173 HydrophobicContact CD1-CB 4.38Å; L148-L173 HydrophobicContact CD1-CD2 4.21Å; L148-R176 HydrophobicContact CD2-CB 3.72Å; L148-R176 HydrophobicContact CD2-CG 4.19Å; L148-R176 PolarHBondContact O-NH1 3Å
149F77.2Confident78.2Confident153 Ų15339.8 Ų39.867%0.67120%0.198SC*.Hα-helixtrans-61.8-33.5175.1-83.3-63.9000113R145 R146 G151R145-F149 HydrophobicContact CG-CD2 3.85Å; R145-F149 HydrophobicContact CG-CE2 3.58Å; R145-F149 WeakPolarHBondContact O-CD2 3.31Å; R145-F149 PolarHBondContact O-N 2.97Å; R146-F149 WeakPolarHBondContact O-CB 3.41Å; R146-F149 PolarHBondContact O-N 3.4Å; R146-F149 VanDerWaalsContact O-N 3.12Å; F149-G151 PolarHBondContact O-N 3.45Å
150L78.6Confident78.1Confident74 Ų7440.7 Ų40.739%0.38720%0.197SC..THydrogen-bonded Turntrans-75.67.2176.3-67.6172.1000114V99 A105 W110 R146 A147 L148V99-L150 HydrophobicContact CG1-CD1 3.69Å; A105-L150 HydrophobicContact CB-CB 4.24Å; W110-L150 HydrophobicContact CH2-CB 4.42Å; W110-L150 HydrophobicContact CZ2-CB 3.82Å; R146-L150 HydrophobicContact CG-CD1 4.26Å; R146-L150 WeakPolarHBondContact O-CG 3.44Å; R146-L150 PolarHBondContact O-N 2.88Å; A147-L150 PolarHBondContact O-N 2.94Å; L148-L150 VanDerWaalsContact C-N 3.26Å; L148-L150 PolarHBondContact O-N 3Å
151G76.7Confident77.7Confident36 Ų3642.3 Ų42.337%0.37121%0.206SC..THydrogen-bonded Turntrans95.19.5172.900000115.8L148 F149 S153L148-G151 PolarHBondContact O-N 2.84Å; L148-G151 VanDerWaalsContact O-N 3.13Å; F149-G151 PolarHBondContact O-N 3.45Å; G151-S153 PolarHBondContact O-N 2.95Å
152A81.8Confident77Confident0 Ų045.7 Ų45.70%022%0.22CC..  trans-57.6123.1176.600000112.4W110 A112 A147 A154 R176W110-A152 HydrophobicContact CD2-CB 4.1Å; W110-A152 HydrophobicContact CE3-CB 4.02Å; W110-A152 HydrophobicContact CH2-CB 3.74Å; W110-A152 HydrophobicContact CZ2-CB 3.78Å; W110-A152 HydrophobicContact CZ3-CB 3.87Å; W110-A152 CarbonylContact O-C 3.57Å; A112-A152 HydrophobicContact CB-CB 3.91Å; A147-A152 VanDerWaalsContact O-CB 3.24Å; A147-A152 WeakPolarHBondContact O-CB 3.3Å; A147-A152 PolarHBondContact O-N 3.31Å; A152-A154 VanDerWaalsContact C-N 3.34Å; A152-A154 PolarHBondContact O-N 3.48Å; A152-R176 WeakPolarHBondContact O-CD 3.44Å; A152-R176 PolarHBondContact O-NH1 3.36Å
153S79.3Confident76.2Confident28 Ų2843.5 Ų43.520%0.19621%0.213CC..SBendtrans-66.4-33-177.359.10000113.4W110 G151W110-S153 PolarHBondContact O-N 3.02Å; W110-S153 PolarHBondContact O-OG 3.49Å; G151-S153 PolarHBondContact O-N 2.95Å
154A81.8Confident75.2Confident0 Ų042.9 Ų42.90%021%0.212CC..EExtended strand (participates in β ladder)trans-151.2162.217600000110.8L89 I111 A112 A152 P177 I204L89-A154 HydrophobicContact CD1-CB 4.47Å; I111-A154 HydrophobicContact CG1-CB 4.34Å; I111-A154 HydrophobicContact CG2-CB 4.28Å; A112-A154 PolarHBondContact N-O 2.94Å; A152-A154 VanDerWaalsContact C-N 3.34Å; A152-A154 PolarHBondContact O-N 3.48Å; A154-P177 HydrophobicContact CB-CG 4.11Å; A154-I204 HydrophobicContact CB-CD1 4.38Å
155L83.8Confident74.3Confident0 Ų043.5 Ų43.50%022%0.215CC..EExtended strand (participates in β ladder)trans-108.7129171.6-74.5165.4000109.8M96 A112 M144 A147 L148 P177 V178 I179M96-L155 HydrophobicContact CE-CD2 3.24Å; A112-L155 HydrophobicContact CB-CD2 3.7Å; A112-L155 CarbonylContact O-C 3.58Å; A112-L155 WeakPolarHBondContact O-CA 3.27Å; M144-L155 HydrophobicContact CB-CD1 4.4Å; M144-L155 HydrophobicContact CB-CD2 4.44Å; M144-L155 HydrophobicContact CE-CD1 4.1Å; A147-L155 HydrophobicContact CB-CD2 4.5Å; L148-L155 HydrophobicContact CD1-CD1 3.6Å; L148-L155 HydrophobicContact CD2-CD1 3.7Å; L148-L155 HydrophobicContact CD2-CD2 4.46Å; L148-L155 HydrophobicContact CD2-CG 3.75Å; L148-L155 HydrophobicContact CG-CD1 3.63Å; L148-L155 HydrophobicContact CG-CD2 4.46Å; L148-L155 HydrophobicContact CG-CG 4.07Å; L155-P177 PolarHBondContact N-O 3.46Å; L155-P177 VanDerWaalsContact N-O 3.11Å; L155-V178 HydrophobicContact CB-CG1 4.42Å; L155-V178 HydrophobicContact CB-CG2 4.32Å; L155-V178 HydrophobicContact CD1-CG2 4.08Å; L155-I179 PolarHBondContact O-N 2.9Å
156L85.5Confident73.2Confident1 Ų142.6 Ų42.61%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-110.4114.7175.9-165.570.7000109.4L93 I111 A112 V113 A114 I179 L181L93-L156 HydrophobicContact CD2-CD2 4.21Å; I111-L156 HydrophobicContact CG2-CB 4Å; A112-L156 PolarHBondContact O-N 3.5Å; V113-L156 WeakPolarHBondContact CA-O 3.38Å; V113-L156 HydrophobicContact CG1-CD2 4.43Å; V113-L156 HydrophobicContact CG2-CB 4.2Å; V113-L156 HydrophobicContact CG2-CD2 4.04Å; A114-L156 PolarHBondContact N-O 3.4Å; L156-I179 WeakPolarHBondContact CA-O 3.43Å; L156-I179 HydrophobicContact CD1-CB 3.88Å; L156-I179 HydrophobicContact CD1-CG2 3.73Å; L156-L181 HydrophobicContact CD1-CD1 3.57Å; L156-L181 HydrophobicContact CD1-CD2 4.18Å; L156-L181 HydrophobicContact CD1-CG 3.64Å; L156-L181 HydrophobicContact CD2-CD1 3.69Å; L156-L181 HydrophobicContact CG-CD1 3.67Å; L156-L181 HydrophobicContact CG-CG 4.12Å
157L82.3Confident72Confident7 Ų742 Ų424%0.03721%0.213CC..EExtended strand (participates in β ladder)trans-102.1110.5179.8-72.5175.6000110.3A114 M144 I159 V178 I179 V180 L181A114-L157 HydrophobicContact CB-CD2 3.65Å; A114-L157 WeakPolarHBondContact O-CA 3.44Å; M144-L157 HydrophobicContact CE-CD1 3.88Å; M144-L157 HydrophobicContact CE-CD2 3.56Å; M144-L157 HydrophobicContact CE-CG 4Å; M144-L157 HydrophobicContact SD-CD2 4.16Å; L157-I159 PolarHBondContact O-N 2.88Å; L157-V178 HydrophobicContact CD1-CG1 3.54Å; L157-V178 HydrophobicContact CG-CG1 4.13Å; L157-I179 PolarHBondContact N-O 3.21Å; L157-V180 HydrophobicContact CB-CG2 4.48Å; L157-V180 HydrophobicContact CD1-CG2 4.22Å; L157-L181 PolarHBondContact O-N 3.31Å
158L82Confident71.1Confident1 Ų142.5 Ų42.51%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-88.799.2173-59158.6000108.6V113 A114 V116 L160 L181 V187 L190 L191V113-L158 HydrophobicContact CG1-CD1 3.31Å; V113-L158 HydrophobicContact CG1-CG 4.03Å; A114-L158 PolarHBondContact O-N 3.17Å; V116-L158 PolarHBondContact N-O 2.91Å; V116-L158 VanDerWaalsContact N-O 3.11Å; L158-L160 PolarHBondContact O-N 3.43Å; L158-L181 HydrophobicContact CD2-CB 4.32Å; L158-L181 HydrophobicContact CD2-CD1 3.57Å; L158-V187 HydrophobicContact CD2-CB 4.46Å; L158-V187 HydrophobicContact CD2-CG1 3.74Å; L158-V187 HydrophobicContact CD2-CG2 4.25Å; L158-L190 HydrophobicContact CD2-CD2 4.31Å; L158-L191 HydrophobicContact CD1-CD1 4.16Å
159I72.8Confident70.1Confident11 Ų1144.8 Ų44.86%0.05623%0.228CC..EExtended strand (participates in β ladder)trans-85.9108.5179.9-54.9164.4000109.4L157 N161 V165 V180L157-I159 PolarHBondContact O-N 2.88Å; I159-N161 VanDerWaalsContact CG2-O 3.3Å; I159-N161 WeakPolarHBondContact CG2-O 3.4Å; I159-V165 HydrophobicContact CB-CG2 4.19Å; I159-V165 HydrophobicContact CD1-CB 4.38Å; I159-V165 HydrophobicContact CD1-CG1 4.31Å; I159-V165 HydrophobicContact CD1-CG2 3.33Å; I159-V165 HydrophobicContact CG1-CG2 3.43Å; I159-V165 VanDerWaalsContact CG1-CG2 3.43Å; I159-V165 HydrophobicContact CG2-CG2 3.66Å; I159-V180 HydrophobicContact CD1-CB 4.49Å; I159-V180 HydrophobicContact CD1-CG1 3.06Å; I159-V180 HydrophobicContact CG1-CG1 4.03Å
160L67.3Low69.3Low59 Ų5938.5 Ų38.531%0.30920%0.201SC..SBendtrans-90.3-19.9167.3-56.4166.4000111.5V116 L158 Y183 L191V116-L160 WeakPolarHBondContact O-CB 3.27Å; V116-L160 PolarHBondContact O-N 2.89Å; L158-L160 PolarHBondContact O-N 3.43Å; L160-Y183 HydrophobicContact CD2-CD2 3.81Å; L160-Y183 HydrophobicContact CD2-CE2 4Å; L160-L191 HydrophobicContact CD1-CD2 3.86Å
161N63.2Low68.2Low46 Ų4638.3 Ų38.325%0.24621%0.206CC..  trans-135.1110.2176.9-174.8-2.8000111.4I159 N163 V164I159-N161 VanDerWaalsContact CG2-O 3.3Å; I159-N161 WeakPolarHBondContact CG2-O 3.4Å; N161-N163 PolarHBondContact O-N 3.48Å; N161-N163 VanDerWaalsContact O-N 3.09Å; N161-N163 WeakPolarHBondContact OD1-CB 3.44Å; N161-N163 PolarHBondContact OD1-N 2.96Å; N161-N163 VanDerWaalsContact OD1-N 3.15Å; N161-V164 HydrophobicContact CB-CG2 4.32Å; N161-V164 PolarHBondContact O-N 3.39Å
162H60.8Low67.3Low95 Ų9542.8 Ų42.844%0.4422%0.217SC..Hα-helixtrans-62.1-17.9-178-58.7-79.8000114.3H182H162-H182 AromaticContact CE1-CD2 3.8Å; H162-H182 AromaticContact CE1-NE2 3.62Å
163N56.3Low66.3Low99 Ų9943 Ų4353%0.52922%0.218SC..Hα-helixtrans-72.6-29.9-179.1-68.3-27000112.8N161 R166N161-N163 PolarHBondContact O-N 3.48Å; N161-N163 VanDerWaalsContact O-N 3.09Å; N161-N163 WeakPolarHBondContact OD1-CB 3.44Å; N161-N163 PolarHBondContact OD1-N 2.96Å; N161-N163 VanDerWaalsContact OD1-N 3.15Å; N163-R166 WeakPolarHBondContact O-CB 3.38Å; N163-R166 PolarHBondContact O-N 3.3Å
164V57.1Low65.2Low21 Ų2145.1 Ų45.113%0.12723%0.227CC..Hα-helixtrans-76-28.8-175.6-172.80000111.9V116 Y136 N161 R166 E167 L168V116-V164 HydrophobicContact CG1-CB 3.56Å; V116-V164 HydrophobicContact CG1-CG1 3.48Å; V116-V164 VanDerWaalsContact CG1-CG1 3.48Å; V116-V164 HydrophobicContact CG1-CG2 3.72Å; Y136-V164 HydrophobicContact CE1-CG1 4.3Å; N161-V164 HydrophobicContact CB-CG2 4.32Å; N161-V164 PolarHBondContact O-N 3.39Å; V164-R166 PolarHBondContact O-N 3.1Å; V164-E167 PolarHBondContact O-N 3.49Å; V164-L168 PolarHBondContact O-N 2.85Å
165V58.7Low64.2Low13 Ų1353.3 Ų53.38%0.07927%0.27CS..Hα-helixtrans-66.5-29176.3-172.20000111.1I159 E167 L168 W221I159-V165 HydrophobicContact CB-CG2 4.19Å; I159-V165 HydrophobicContact CD1-CB 4.38Å; I159-V165 HydrophobicContact CD1-CG1 4.31Å; I159-V165 HydrophobicContact CD1-CG2 3.33Å; I159-V165 HydrophobicContact CG1-CG2 3.43Å; I159-V165 VanDerWaalsContact CG1-CG2 3.43Å; I159-V165 HydrophobicContact CG2-CG2 3.66Å; V165-E167 PolarHBondContact O-N 2.85Å; V165-L168 PolarHBondContact O-N 3.49Å; V165-W221 HydrophobicContact CB-CZ3 4.26Å; V165-W221 HydrophobicContact CG1-CE3 4.31Å; V165-W221 HydrophobicContact CG1-CZ3 3.73Å
166R56Low63.5Low119 Ų11957.6 Ų57.645%0.44929%0.286SS..THydrogen-bonded Turntrans-66.9-25.4176.1-67178.5144.6-169-10.8113N163 V164 W221N163-R166 WeakPolarHBondContact O-CB 3.38Å; N163-R166 PolarHBondContact O-N 3.3Å; V164-R166 PolarHBondContact O-N 3.1Å; R166-W221 HydrophobicContact CG-CH2 3.54Å; R166-W221 HydrophobicContact CG-CZ2 3.71Å; R166-W221 HydrophobicContact CG-CZ3 4.44Å
167E52.6Low62.7Low95 Ų9558.4 Ų58.444%0.44429%0.292SS..THydrogen-bonded Turntrans-96.4-3.4-178.2-64-176174.200112.7V164 V165 W234V164-E167 PolarHBondContact O-N 3.49Å; V165-E167 PolarHBondContact O-N 2.85Å; E167-W234 HydrophobicContact CG-CZ2 4.23Å
168L61.1Low62.4Low15 Ų1558.1 Ų58.18%0.07929%0.29CS..  trans-94.3114.8-176-147.875.1000110.8P137 L140 V141 M144 V164 V165 I170P137-L168 HydrophobicContact CB-CD1 4.44Å; L140-L168 HydrophobicContact CD2-CD1 3.91Å; L140-L168 HydrophobicContact CD2-CD2 4.49Å; L140-L168 HydrophobicContact CG-CD1 4.46Å; V141-L168 HydrophobicContact CG2-CD1 3.56Å; V141-L168 HydrophobicContact CG2-CG 3.85Å; M144-L168 HydrophobicContact CE-CD2 4.45Å; M144-L168 HydrophobicContact SD-CD2 3.94Å; V164-L168 PolarHBondContact O-N 2.85Å; V165-L168 PolarHBondContact O-N 3.49Å; L168-I170 HydrophobicContact CB-CG1 4.33Å; L168-I170 HydrophobicContact CD2-CG1 4.18Å; L168-I170 HydrophobicContact CG-CG1 4.43Å; L168-I170 PolarHBondContact O-N 2.86Å; L168-I170 VanDerWaalsContact O-N 3.08Å
169D57.4Low62.3Low67 Ų6758 Ų5836%0.35829%0.29SS..  trans-79.687.4174.6-175.516.1000110.7S171 Q172D169-S171 PolarHBondContact O-N 3.33Å; D169-S171 VanDerWaalsContact OD1-CB 3.26Å; D169-S171 WeakPolarHBondContact OD1-CB 3.47Å; D169-S171 PolarHBondContact OD1-N 2.83Å; D169-S171 PolarHBondContact OD1-OG 2.85Å; D169-Q172 PolarHBondContact OD2-NE2 3.31Å
170I61.4Low62.5Low22 Ų2257.9 Ų57.911%0.11329%0.289CS..G310 helixtrans-76.1-13.4-176.2-56.7162.6000111.7L168 Q172 L173 V178L168-I170 HydrophobicContact CB-CG1 4.33Å; L168-I170 HydrophobicContact CD2-CG1 4.18Å; L168-I170 HydrophobicContact CG-CG1 4.43Å; L168-I170 PolarHBondContact O-N 2.86Å; L168-I170 VanDerWaalsContact O-N 3.08Å; I170-Q172 PolarHBondContact O-N 3.32Å; I170-L173 PolarHBondContact O-N 2.78Å; I170-V178 HydrophobicContact CG2-CG2 4.25Å
171S55.3Low63.1Low69 Ų6955.1 Ų55.148%0.48328%0.275SS..G310 helixtrans-53.6-29.4-179.3-390000113D169D169-S171 PolarHBondContact O-N 3.33Å; D169-S171 VanDerWaalsContact OD1-CB 3.26Å; D169-S171 WeakPolarHBondContact OD1-CB 3.47Å; D169-S171 PolarHBondContact OD1-N 2.83Å; D169-S171 PolarHBondContact OD1-OG 2.85Å
172Q57Low63.4Low131 Ų13157.2 Ų57.261%0.61228%0.283SS*.G310 helixtrans-84.7-7-176.8-55.2-177.327.900113.8D169 I170D169-Q172 PolarHBondContact OD2-NE2 3.31Å; I170-Q172 PolarHBondContact O-N 3.32Å
173L60.3Low63.9Low4 Ų458.6 Ų58.62%0.02129%0.285CS..G310 helixtrans-106.5-0.8-173.9-60.9174.9000113.7V141 M144 R145 L148 I170 L175V141-L173 HydrophobicContact CG1-CD2 4.47Å; M144-L173 HydrophobicContact CB-CD1 4.06Å; M144-L173 HydrophobicContact CB-CD2 4.38Å; M144-L173 HydrophobicContact CE-CD1 3.61Å; M144-L173 HydrophobicContact SD-CD1 3.99Å; R145-L173 HydrophobicContact CB-CD2 4.06Å; L148-L173 HydrophobicContact CD1-CB 4.38Å; L148-L173 HydrophobicContact CD1-CD2 4.21Å; I170-L173 PolarHBondContact O-N 2.78Å; L173-L175 PolarHBondContact O-N 3.25Å
174L57.6Low64.7Low72 Ų7255.8 Ų55.838%0.37727%0.273SS..THydrogen-bonded Turntrans-70.98.7-164.2-63.5174000116.7I79 R176I79-L174 HydrophobicContact CG2-CD2 3.94Å; L174-R176 VanDerWaalsContact C-N 3.27Å; L174-R176 PolarHBondContact O-N 3.35Å
175L59.6Low65.4Low172 Ų17258.6 Ų58.690%0.90129%0.294SS*.THydrogen-bonded Turntrans-70.8-23.4175.6-71.8167000112.7L173L173-L175 PolarHBondContact O-N 3.25Å
176R70.1Confident66.5Low90 Ų9060.2 Ų60.234%0.3430%0.302SS..SBendtrans-134.8153.8176.5-68.9-165.2-177.1144.34.9110.2L148 A152 L174 V178L148-R176 HydrophobicContact CD2-CB 3.72Å; L148-R176 HydrophobicContact CD2-CG 4.19Å; L148-R176 PolarHBondContact O-NH1 3Å; A152-R176 WeakPolarHBondContact O-CD 3.44Å; A152-R176 PolarHBondContact O-NH1 3.36Å; L174-R176 VanDerWaalsContact C-N 3.27Å; L174-R176 PolarHBondContact O-N 3.35Å; R176-V178 PolarHBondContact O-N 3.3Å
177P68.3Low67.7Low19 Ų1954.6 Ų54.612%0.12328%0.281CS..  trans-65.1131.2-17424.8-32.9000111.8R78 L89 A154 L155R78-P177 HydrophobicContact CG-CB 4.24Å; L89-P177 HydrophobicContact CD1-CB 4.39Å; L89-P177 HydrophobicContact CD1-CG 3.57Å; A154-P177 HydrophobicContact CB-CG 4.11Å; L155-P177 PolarHBondContact N-O 3.46Å; L155-P177 VanDerWaalsContact N-O 3.11Å
178V76Confident69Low0 Ų051.8 Ų51.80%027%0.271CS..EExtended strand (participates in β ladder)trans-102.9120.3172.4-177.10000108I79 L155 L157 I170 R176 V180I79-V178 PolarHBondContact N-O 3.12Å; I79-V178 PolarHBondContact O-N 3.42Å; I79-V178 VanDerWaalsContact O-N 3.13Å; L155-V178 HydrophobicContact CB-CG1 4.42Å; L155-V178 HydrophobicContact CB-CG2 4.32Å; L155-V178 HydrophobicContact CD1-CG2 4.08Å; L157-V178 HydrophobicContact CD1-CG1 3.54Å; L157-V178 HydrophobicContact CG-CG1 4.13Å; I170-V178 HydrophobicContact CG2-CG2 4.25Å; R176-V178 PolarHBondContact O-N 3.3Å; V178-V180 HydrophobicContact CG1-CG2 4.48Å
179I78.9Confident70Confident0 Ų056 Ų560%029%0.288CS..EExtended strand (participates in β ladder)trans-107.1122.3179.8-60.4166.9000108.1V62 R78 L155 L156 L157 L181 I204V62-I179 HydrophobicContact CG2-CG2 4.16Å; R78-I179 HydrophobicContact CB-CG1 4.33Å; L155-I179 PolarHBondContact O-N 2.9Å; L156-I179 WeakPolarHBondContact CA-O 3.43Å; L156-I179 HydrophobicContact CD1-CB 3.88Å; L156-I179 HydrophobicContact CD1-CG2 3.73Å; L157-I179 PolarHBondContact N-O 3.21Å; I179-L181 HydrophobicContact CG2-CD2 4.33Å; I179-I204 HydrophobicContact CD1-CB 4.38Å; I179-I204 HydrophobicContact CD1-CD1 3.29Å; I179-I204 HydrophobicContact CD1-CG1 3.82Å; I179-I204 HydrophobicContact CD1-CG2 3.7Å
180V78.3Confident71.2Confident8 Ų852.9 Ų52.95%0.04827%0.271CS..EExtended strand (participates in β ladder)trans-102.5115.3-179.11780000108.5G76 V77 I79 L157 I159 V178G76-V180 CarbonylContact C-O 3.48Å; G76-V180 WeakPolarHBondContact CA-O 3.14Å; V77-V180 PolarHBondContact N-O 2.98Å; V77-V180 PolarHBondContact O-N 3.13Å; I79-V180 HydrophobicContact CD1-CG2 3.82Å; L157-V180 HydrophobicContact CB-CG2 4.48Å; L157-V180 HydrophobicContact CD1-CG2 4.22Å; I159-V180 HydrophobicContact CD1-CB 4.49Å; I159-V180 HydrophobicContact CD1-CG1 3.06Å; I159-V180 HydrophobicContact CG1-CG1 4.03Å; V178-V180 HydrophobicContact CG1-CG2 4.48Å
181L78.4Confident72.3Confident0 Ų052.5 Ų52.50%027%0.27CS..EExtended strand (participates in β ladder)trans-93.7135.6176.7-67-179.8000110.9V62 L74 L156 L157 L158 I179 V187V62-L181 HydrophobicContact CB-CD2 4.49Å; V62-L181 HydrophobicContact CG2-CD2 4.06Å; L74-L181 HydrophobicContact CB-CD1 4.5Å; L74-L181 HydrophobicContact CB-CD2 4.05Å; L74-L181 HydrophobicContact CD1-CD1 3.87Å; L156-L181 HydrophobicContact CD1-CD1 3.57Å; L156-L181 HydrophobicContact CD1-CD2 4.18Å; L156-L181 HydrophobicContact CD1-CG 3.64Å; L156-L181 HydrophobicContact CD2-CD1 3.69Å; L156-L181 HydrophobicContact CG-CD1 3.67Å; L156-L181 HydrophobicContact CG-CG 4.12Å; L157-L181 PolarHBondContact O-N 3.31Å; L158-L181 HydrophobicContact CD2-CB 4.32Å; L158-L181 HydrophobicContact CD2-CD1 3.57Å; I179-L181 HydrophobicContact CG2-CD2 4.33Å; L181-V187 HydrophobicContact CB-CG2 4.07Å; L181-V187 HydrophobicContact CD1-CG2 4.33Å
182H70.9Confident73.5Confident91 Ų9153.4 Ų53.442%0.42127%0.269SS..PPolyproline II helixtrans-80.9146.6176.5-172.3-86000111.3H162 S184 V187H162-H182 AromaticContact CE1-CD2 3.8Å; H162-H182 AromaticContact CE1-NE2 3.62Å; H182-S184 PolarHBondContact O-N 3.18Å; H182-S184 VanDerWaalsContact O-N 3.08Å; H182-V187 VanDerWaalsContact O-CG2 3.26Å; H182-V187 WeakPolarHBondContact O-CG2 3.19Å
183Y70.5Confident74.7Confident123 Ų12347.2 Ų47.248%0.48224%0.24SC..PPolyproline II helixtrans-54.3117.7172.8-178.5-97.2000110.9L160 T188L160-Y183 HydrophobicContact CD2-CD2 3.81Å; L160-Y183 HydrophobicContact CD2-CE2 4Å; Y183-T188 HydrophobicContact CD2-CG2 4.28Å; Y183-T188 HydrophobicContact CE2-CG2 3.52Å
184S72.8Confident75.7Confident40 Ų4047.4 Ų47.428%0.2824%0.241SC..  trans-146.1161.3175.262.30000109.1H182 N186 V187 T188H182-S184 PolarHBondContact O-N 3.18Å; H182-S184 VanDerWaalsContact O-N 3.08Å; S184-N186 PolarHBondContact O-N 3.01Å; S184-V187 WeakPolarHBondContact O-CB 3.39Å; S184-V187 PolarHBondContact O-N 3.42Å; S184-V187 WeakPolarHBondContact OG-CG2 3.34Å; S184-V187 PolarHBondContact OG-N 3.42Å; S184-T188 PolarHBondContact O-N 2.85Å; S184-T188 VanDerWaalsContact O-N 3.15Å
185S71.1Confident76.9Confident80 Ų8048.2 Ų48.256%0.55925%0.246SC*.Hα-helixtrans-60.4-26.4175.453.70000112.9T188 K189S185-T188 PolarHBondContact O-OG1 3.15Å; S185-K189 VanDerWaalsContact O-CG 3.25Å; S185-K189 WeakPolarHBondContact O-CG 3.17Å; S185-K189 PolarHBondContact O-N 2.81Å
186N82.1Confident78Confident48 Ų4846.8 Ų46.826%0.25723%0.234SC..Hα-helixtrans-76.2-35.4174.6-66.8-11000111.5L72 V73 L74 S184 K189 L190L72-N186 HydrophobicContact CD2-CB 4.34Å; V73-N186 PolarHBondContact O-ND2 3.42Å; L74-N186 HydrophobicContact CD2-CB 3.39Å; S184-N186 PolarHBondContact O-N 3.01Å; N186-K189 PolarHBondContact O-N 2.81Å; N186-L190 WeakPolarHBondContact O-CB 3.32Å; N186-L190 PolarHBondContact O-N 3.36Å
187V81.1Confident78.3Confident0 Ų051.5 Ų51.50%025%0.252CS..Hα-helixtrans-63.1-41.7174.3156.60000111.7L74 L158 L181 H182 S184 L190 L191L74-V187 HydrophobicContact CD2-CG2 3.85Å; L158-V187 HydrophobicContact CD2-CB 4.46Å; L158-V187 HydrophobicContact CD2-CG1 3.74Å; L158-V187 HydrophobicContact CD2-CG2 4.25Å; L181-V187 HydrophobicContact CB-CG2 4.07Å; L181-V187 HydrophobicContact CD1-CG2 4.33Å; H182-V187 VanDerWaalsContact O-CG2 3.26Å; H182-V187 WeakPolarHBondContact O-CG2 3.19Å; S184-V187 WeakPolarHBondContact O-CB 3.39Å; S184-V187 PolarHBondContact O-N 3.42Å; S184-V187 WeakPolarHBondContact OG-CG2 3.34Å; S184-V187 PolarHBondContact OG-N 3.42Å; V187-L190 PolarHBondContact O-N 2.8Å; V187-L191 PolarHBondContact O-N 2.87Å
188T80.4Confident78.8Confident37 Ų3752.6 Ų52.623%0.22726%0.258CS..Hα-helixtrans-68.2-41.1177.356.50000111.8Y183 S184 S185 L190 L191 D192Y183-T188 HydrophobicContact CD2-CG2 4.28Å; Y183-T188 HydrophobicContact CE2-CG2 3.52Å; S184-T188 PolarHBondContact O-N 2.85Å; S184-T188 VanDerWaalsContact O-N 3.15Å; S185-T188 PolarHBondContact O-OG1 3.15Å; T188-L190 VanDerWaalsContact C-N 3.32Å; T188-L190 PolarHBondContact O-N 3.12Å; T188-L191 PolarHBondContact O-N 3.31Å; T188-D192 PolarHBondContact O-N 2.88Å
189K82.3Confident79Confident104 Ų10459.3 Ų59.345%0.45229%0.29SS..Hα-helixtrans-60.4-40.3173.7-73171.9-176.3178.90112.6L72 S185 N186 A193L72-K189 HydrophobicContact CD1-CB 4.23Å; L72-K189 HydrophobicContact CD2-CD 4.34Å; S185-K189 VanDerWaalsContact O-CG 3.25Å; S185-K189 WeakPolarHBondContact O-CG 3.17Å; S185-K189 PolarHBondContact O-N 2.81Å; N186-K189 PolarHBondContact O-N 2.81Å; K189-A193 WeakPolarHBondContact O-CB 3.34Å; K189-A193 PolarHBondContact O-N 3.35Å
190L82.8Confident79.3Confident0 Ų059.4 Ų59.40%029%0.29CS..Hα-helixtrans-62.6-47.1174.4175.163.1000110.9V64 L66 L72 L74 L93 L158 N186 V187 T188 D192 A193 L194 A200V64-L190 HydrophobicContact CG1-CD1 3.77Å; V64-L190 HydrophobicContact CG2-CD2 4.32Å; L66-L190 HydrophobicContact CD1-CD1 4.45Å; L72-L190 HydrophobicContact CD1-CB 4.09Å; L74-L190 HydrophobicContact CD1-CD2 3.53Å; L93-L190 HydrophobicContact CD1-CD1 3.96Å; L93-L190 HydrophobicContact CD1-CD2 4.23Å; L158-L190 HydrophobicContact CD2-CD2 4.31Å; N186-L190 WeakPolarHBondContact O-CB 3.32Å; N186-L190 PolarHBondContact O-N 3.36Å; V187-L190 PolarHBondContact O-N 2.8Å; T188-L190 VanDerWaalsContact C-N 3.32Å; T188-L190 PolarHBondContact O-N 3.12Å; L190-D192 VanDerWaalsContact C-N 3.35Å; L190-D192 PolarHBondContact O-N 3.16Å; L190-A193 PolarHBondContact O-N 3.1Å; L190-L194 HydrophobicContact CD1-CD1 4.14Å; L190-L194 HydrophobicContact CD1-CG 4.13Å; L190-L194 HydrophobicContact CG-CD1 4.02Å; L190-L194 HydrophobicContact CG-CG 4.41Å; L190-L194 WeakPolarHBondContact O-CG 3.21Å; L190-L194 PolarHBondContact O-N 3.24Å; L190-A200 HydrophobicContact CD1-CB 4.43Å
191L83.4Confident79.6Confident15 Ų1562 Ų628%0.07931%0.306CS..Hα-helixtrans-59.8-46.4179.5-178.960.8000111.2L95 Y115 L158 L160 V187 T188 A193 L194 L195L95-L191 HydrophobicContact CD1-CD1 4.47Å; Y115-L191 HydrophobicContact CD1-CD1 3.91Å; Y115-L191 HydrophobicContact CD2-CD1 4.14Å; Y115-L191 HydrophobicContact CD2-CD2 4.27Å; Y115-L191 HydrophobicContact CG-CD1 3.69Å; Y115-L191 HydrophobicContact CG-CD2 4.46Å; L158-L191 HydrophobicContact CD1-CD1 4.16Å; L160-L191 HydrophobicContact CD1-CD2 3.86Å; V187-L191 PolarHBondContact O-N 2.87Å; T188-L191 PolarHBondContact O-N 3.31Å; L191-A193 VanDerWaalsContact C-N 3.3Å; L191-A193 PolarHBondContact O-N 2.78Å; L191-L194 PolarHBondContact O-N 2.87Å; L191-L195 HydrophobicContact CD1-CD1 4.39Å; L191-L195 HydrophobicContact CD1-CG 4.35Å; L191-L195 HydrophobicContact CG-CD1 4.1Å; L191-L195 HydrophobicContact CG-CG 4.5Å; L191-L195 WeakPolarHBondContact O-CG 3.2Å; L191-L195 PolarHBondContact O-N 2.83Å
192D81.8Confident79.9Confident88 Ų8862.2 Ų62.247%0.47131%0.308SS..Hα-helixtrans-59.2-41.8176.6-70.8-24.8000111.7T188 L190 L195 Q196T188-D192 PolarHBondContact O-N 2.88Å; L190-D192 VanDerWaalsContact C-N 3.35Å; L190-D192 PolarHBondContact O-N 3.16Å; D192-L195 PolarHBondContact O-N 3.34Å; D192-Q196 VanDerWaalsContact O-CG 3.26Å; D192-Q196 WeakPolarHBondContact O-CG 3.22Å; D192-Q196 PolarHBondContact O-N 2.86Å
193A81.9Confident80.5Confident1 Ų160.9 Ų60.91%0.00830%0.302CS..Hα-helixtrans-65.7-38.7177.100000112.9L66 K189 L190 L191 Q196 T198L66-A193 HydrophobicContact CD2-CB 3.33Å; K189-A193 WeakPolarHBondContact O-CB 3.34Å; K189-A193 PolarHBondContact O-N 3.35Å; L190-A193 PolarHBondContact O-N 3.1Å; L191-A193 VanDerWaalsContact C-N 3.3Å; L191-A193 PolarHBondContact O-N 2.78Å; A193-Q196 PolarHBondContact O-N 3.37Å; A193-T198 VanDerWaalsContact C-OG1 3.27Å; A193-T198 WeakPolarHBondContact O-CB 3.46Å; A193-T198 PolarHBondContact O-N 3.24Å; A193-T198 VanDerWaalsContact O-N 3.17Å; A193-T198 PolarHBondContact O-OG1 2.73Å
194L81.9Confident81Confident7 Ų755.5 Ų55.54%0.03728%0.281CS..Hα-helixtrans-70.4-38.3176.9-68.8173.8000111.9L93 L95 V113 L190 L191 Q196 R197 A200L93-L194 HydrophobicContact CB-CD2 3.99Å; L95-L194 HydrophobicContact CD1-CB 4Å; L95-L194 HydrophobicContact CD1-CD1 3.93Å; V113-L194 HydrophobicContact CB-CD1 4.33Å; V113-L194 HydrophobicContact CG1-CD1 3.91Å; V113-L194 HydrophobicContact CG2-CD1 4.24Å; L190-L194 HydrophobicContact CD1-CD1 4.14Å; L190-L194 HydrophobicContact CD1-CG 4.13Å; L190-L194 HydrophobicContact CG-CD1 4.02Å; L190-L194 HydrophobicContact CG-CG 4.41Å; L190-L194 WeakPolarHBondContact O-CG 3.21Å; L190-L194 PolarHBondContact O-N 3.24Å; L191-L194 PolarHBondContact O-N 2.87Å; L194-Q196 VanDerWaalsContact C-N 3.25Å; L194-Q196 PolarHBondContact O-N 2.93Å; L194-R197 WeakPolarHBondContact O-CA 3.44Å; L194-R197 PolarHBondContact O-N 3.07Å; L194-A200 HydrophobicContact CD2-CB 3.97Å
195L82.1Confident81.2Confident90 Ų9055.4 Ų55.447%0.47128%0.279SS..Hα-helixtrans-63.5-32.9173.9-72.2172.1000111.9L95 L191 D192 R197L95-L195 HydrophobicContact CD2-CD2 3.93Å; L191-L195 HydrophobicContact CD1-CD1 4.39Å; L191-L195 HydrophobicContact CD1-CG 4.35Å; L191-L195 HydrophobicContact CG-CD1 4.1Å; L191-L195 HydrophobicContact CG-CG 4.5Å; L191-L195 WeakPolarHBondContact O-CG 3.2Å; L191-L195 PolarHBondContact O-N 2.83Å; D192-L195 PolarHBondContact O-N 3.34Å; L195-R197 PolarHBondContact O-N 2.85Å; L195-R197 VanDerWaalsContact O-N 3.16Å
196Q82.7Confident81.1Confident141 Ų14155.7 Ų55.766%0.65928%0.281SS*.THydrogen-bonded Turntrans-74.79.9171.9-69.1173.717.200113.8D192 A193 L194 T198D192-Q196 VanDerWaalsContact O-CG 3.26Å; D192-Q196 WeakPolarHBondContact O-CG 3.22Å; D192-Q196 PolarHBondContact O-N 2.86Å; A193-Q196 PolarHBondContact O-N 3.37Å; L194-Q196 VanDerWaalsContact C-N 3.25Å; L194-Q196 PolarHBondContact O-N 2.93Å; Q196-T198 HydrophobicContact CB-CG2 4.23Å; Q196-T198 PolarHBondContact O-N 3.33Å
197R76.3Confident80Confident190 Ų19054.2 Ų54.272%0.71728%0.277SS*.THydrogen-bonded Turntrans56.229.6-178.7-58.7-174.7179.1-154.6-1.2113.9L194 L195L194-R197 WeakPolarHBondContact O-CA 3.44Å; L194-R197 PolarHBondContact O-N 3.07Å; L195-R197 PolarHBondContact O-N 2.85Å; L195-R197 VanDerWaalsContact O-N 3.16Å
198T79.8Confident78.8Confident42 Ų4263 Ų6326%0.25832%0.318SS..  trans-77.4137.5174.567.10000110.1A193 Q196 A200A193-T198 VanDerWaalsContact C-OG1 3.27Å; A193-T198 WeakPolarHBondContact O-CB 3.46Å; A193-T198 PolarHBondContact O-N 3.24Å; A193-T198 VanDerWaalsContact O-N 3.17Å; A193-T198 PolarHBondContact O-OG1 2.73Å; Q196-T198 HydrophobicContact CB-CG2 4.23Å; Q196-T198 PolarHBondContact O-N 3.33Å; T198-A200 PolarHBondContact O-N 2.8Å
199Q80.3Confident77.2Confident141 Ų14166.1 Ų66.166%0.65934%0.341SS*.  trans-71.9112.2175.2-67.9-176.1-4.800108.9P67P67-Q199 WeakPolarHBondContact CD-O 3.49Å
200A83.6Confident75.4Confident1 Ų164.6 Ų64.61%0.00834%0.338CS..EExtended strand (participates in β ladder)trans-109.2144.4174.100000110.2V64 L66 L93 L190 L194 T198V64-A200 HydrophobicContact CG1-CB 4.1Å; L66-A200 HydrophobicContact CG-CB 4.45Å; L93-A200 HydrophobicContact CB-CB 4.24Å; L93-A200 HydrophobicContact CD1-CB 3.94Å; L93-A200 HydrophobicContact CG-CB 4.39Å; L93-A200 PolarHBondContact N-O 2.98Å; L190-A200 HydrophobicContact CD1-CB 4.43Å; L194-A200 HydrophobicContact CD2-CB 3.97Å; T198-A200 PolarHBondContact O-N 2.8Å
201T85Confident73.5Confident63 Ų6368.8 Ų68.839%0.38737%0.367SS..EExtended strand (participates in β ladder)trans-119.8133.9174.650.20000108.9V64 R65 G91 R92V64-T201 CarbonylContact C-O 3.58Å; V64-T201 WeakPolarHBondContact CA-O 3.43Å; V64-T201 WeakPolarHBondContact CG1-O 3.48Å; R65-T201 PolarHBondContact N-O 3.2Å; R65-T201 PolarHBondContact O-N 3.07Å; R65-T201 VanDerWaalsContact O-N 3.08Å; G91-T201 WeakPolarHBondContact O-CA 3.41Å; R92-T201 HydrophobicContact CG-CG2 4.1Å
202A85.4Confident71.7Confident4 Ų471.6 Ų71.63%0.03339%0.393CS..EExtended strand (participates in β ladder)trans-115.8139.8178.600000110.5V62 D63 V64 G90 G91 L93 I111V62-A202 HydrophobicContact CG1-CB 4.02Å; D63-A202 WeakPolarHBondContact O-CA 3.45Å; V64-A202 HydrophobicContact CG2-CB 4.11Å; G90-A202 WeakPolarHBondContact CA-O 3.34Å; G91-A202 PolarHBondContact N-O 3.3Å; G91-A202 PolarHBondContact O-N 2.86Å; L93-A202 HydrophobicContact CD1-CB 4.06Å; L93-A202 HydrophobicContact CD2-CB 3.53Å; L93-A202 HydrophobicContact CG-CB 3.85Å; I111-A202 HydrophobicContact CD1-CB 4.17Å
203E84.3Confident69.9Low63 Ų6373.2 Ų73.229%0.29440%0.401SS..EExtended strand (participates in β ladder)trans-117.8121.4171.3-172.6173-175.900107.7D63 R65 L88D63-E203 PolarHBondContact N-O 2.87Å; D63-E203 PolarHBondContact O-N 3.34Å; R65-E203 IonicContact NH2-OE2 3.15Å; R65-E203 PolarHBondContact NH2-OE2 3.49Å; R65-E203 VanDerWaalsContact NH2-OE2 3.15Å; L88-E203 HydrophobicContact CD2-CG 4.22Å
204I80.2Confident68.2Low10 Ų1076.7 Ų76.75%0.05142%0.419CS..EExtended strand (participates in β ladder)trans-100.6117.1-175-62.3156.6000108.6V60 V62 L89 I111 A154 I179V60-I204 HydrophobicContact CG1-CG2 3.29Å; V62-I204 HydrophobicContact CG1-CG1 4.19Å; V62-I204 HydrophobicContact CG2-CG1 4.24Å; L89-I204 HydrophobicContact CB-CB 4.06Å; L89-I204 HydrophobicContact CB-CD1 3.61Å; L89-I204 HydrophobicContact CB-CG1 4.37Å; L89-I204 HydrophobicContact CD1-CD1 4.42Å; L89-I204 WeakPolarHBondContact O-CB 3.22Å; L89-I204 WeakPolarHBondContact O-CD1 3.49Å; L89-I204 WeakPolarHBondContact O-CG1 3.32Å; L89-I204 PolarHBondContact O-N 3.43Å; I111-I204 HydrophobicContact CD1-CD1 3.68Å; I111-I204 HydrophobicContact CD1-CG1 4.48Å; A154-I204 HydrophobicContact CB-CD1 4.38Å; I179-I204 HydrophobicContact CD1-CB 4.38Å; I179-I204 HydrophobicContact CD1-CD1 3.29Å; I179-I204 HydrophobicContact CD1-CG1 3.82Å; I179-I204 HydrophobicContact CD1-CG2 3.7Å
205T76.4Confident66.6Low39 Ų3979.5 Ų79.524%0.23943%0.432CS..EExtended strand (participates in β ladder)trans-112.3136.7178.555.40000110.2V60 R61 L88 G207V60-T205 WeakPolarHBondContact CG1-O 3.3Å; R61-T205 PolarHBondContact N-O 3.37Å; R61-T205 PolarHBondContact O-N 2.84Å; R61-T205 PolarHBondContact O-OG1 3.18Å; L88-T205 HydrophobicContact CD2-CG2 3.95Å; T205-G207 PolarHBondContact O-N 2.83Å
206S68.6Low64.6Low86 Ų8681 Ų8160%0.60143%0.431SS*.EExtended strand (participates in β ladder)trans-65.5121.8174.353.50000109.3
207G60.4Low62.7Low16 Ų1678.4 Ų78.417%0.16542%0.418CS..PPolyproline II helixtrans-85.4158.6179.100000112.3A59 T205A59-G207 PolarHBondContact O-N 2.81Å; T205-G207 PolarHBondContact O-N 2.83Å
208E56.3Low61.2Low185 Ų18570 Ų7086%0.86439%0.387SS*.PPolyproline II helixtrans-72.6146.4161.5-71.2-176.3160.300109.6L210E208-L210 PolarHBondContact O-N 2.76Å; E208-L210 VanDerWaalsContact O-N 3.09Å
209S46.1Very low59.7Low102 Ų10269.9 Ų69.971%0.71339%0.386SS*.  trans-48.2111.2-168.6-60.90000113.4
210L44.9Very low57.9Low73 Ų7365.3 Ų65.338%0.38237%0.366SS..  trans-81.6156.6169.9-73170.3000111.1A59 E75 E208A59-L210 HydrophobicContact CB-CB 4Å; A59-L210 HydrophobicContact CB-CD1 4.35Å; A59-L210 HydrophobicContact CB-CG 4.23Å; E75-L210 HydrophobicContact CB-CD1 3.9Å; E75-L210 HydrophobicContact CG-CD1 4.02Å; E75-L210 WeakPolarHBondContact OE2-CD1 3.34Å; E208-L210 PolarHBondContact O-N 2.76Å; E208-L210 VanDerWaalsContact O-N 3.09Å
211S43Very low56.1Low87 Ų8768.4 Ų68.461%0.60838%0.378SS*.  trans-35.6129.7-168.265.20000115.6N213S211-N213 PolarHBondContact O-N 2.93Å
212A44.5Very low54.2Low75 Ų7567.8 Ų67.862%0.6237%0.374SS*.THydrogen-bonded Turntrans-57.28.5-175.900000116.5
213N43.3Very low52Low121 Ų12170.6 Ų70.665%0.64739%0.391SS*.THydrogen-bonded Turntrans-100.5-9.1-173.7-89.8-21.8000115.6S211 W216S211-N213 PolarHBondContact O-N 2.93Å; N213-W216 VanDerWaalsContact O-CD1 3.23Å; N213-W216 PolarHBondContact O-NE1 2.79Å
214I47.2Very low50.1Low75 Ų7568.2 Ų68.239%0.38538%0.381SS..THydrogen-bonded Turntrans-122.2-28.1176.8-58170.5000110.6W216 K217 L218I214-W216 VanDerWaalsContact C-N 3.33Å; I214-W216 PolarHBondContact O-N 2.75Å; I214-K217 PolarHBondContact O-N 3.3Å; I214-L218 HydrophobicContact CG2-CD1 4.04Å; I214-L218 PolarHBondContact O-N 3.32Å
215E47.3Very low48.4Very low65 Ų6570.2 Ų70.230%0.30440%0.404SS..Hα-helixtrans-51.7-51169.6-161.4167.9-158.600110.4K217 L218 T219E215-K217 VanDerWaalsContact C-N 3.31Å; E215-K217 PolarHBondContact O-N 3.22Å; E215-L218 PolarHBondContact O-N 3.24Å; E215-T219 HydrophobicContact CG-CG2 4.36Å; E215-T219 WeakPolarHBondContact O-CB 3.19Å; E215-T219 VanDerWaalsContact O-CG2 3.24Å; E215-T219 WeakPolarHBondContact O-CG2 3.29Å; E215-T219 PolarHBondContact O-N 2.82Å; E215-T219 PolarHBondContact O-OG1 3.42Å
216W40.9Very low47.1Very low122 Ų12273.7 Ų73.746%0.46242%0.42SS..Hα-helixtrans-62.1-31.9-179.969.5-77.6000114.8N213 I214 T219 L220N213-W216 VanDerWaalsContact O-CD1 3.23Å; N213-W216 PolarHBondContact O-NE1 2.79Å; I214-W216 VanDerWaalsContact C-N 3.33Å; I214-W216 PolarHBondContact O-N 2.75Å; W216-T219 VanDerWaalsContact CA-OG1 3.24Å; W216-T219 WeakPolarHBondContact CA-OG1 3.27Å; W216-T219 PolarHBondContact O-OG1 2.84Å; W216-T219 VanDerWaalsContact O-OG1 3.07Å; W216-L220 WeakPolarHBondContact O-CB 3.33Å; W216-L220 VanDerWaalsContact O-CD1 3.27Å; W216-L220 WeakPolarHBondContact O-CD1 3.27Å; W216-L220 PolarHBondContact O-N 2.83Å; W216-L220 VanDerWaalsContact O-N 3.16Å
217K42.7Very low45.7Very low86 Ų8673.9 Ų73.937%0.37442%0.422SS..Hα-helixtrans-79.9-29.9-174.2-144.1173.2-168.8172.10111.9I214 E215I214-K217 PolarHBondContact O-N 3.3Å; E215-K217 VanDerWaalsContact C-N 3.31Å; E215-K217 PolarHBondContact O-N 3.22Å
218L46Very low44.7Very low14 Ų1478.7 Ų78.77%0.07344%0.438CS..Hα-helixtrans-90.9-32.7176.1-68.8170.1000112.2V77 I79 I214 E215 L220 W221 T222V77-L218 HydrophobicContact CB-CD1 3.95Å; V77-L218 HydrophobicContact CG1-CD1 4.06Å; V77-L218 HydrophobicContact CG2-CD1 4.08Å; I79-L218 HydrophobicContact CD1-CD2 4.43Å; I214-L218 HydrophobicContact CG2-CD1 4.04Å; I214-L218 PolarHBondContact O-N 3.32Å; E215-L218 PolarHBondContact O-N 3.24Å; L218-L220 PolarHBondContact O-N 3.15Å; L218-W221 HydrophobicContact CD2-CD2 4.5Å; L218-W221 HydrophobicContact CD2-CE3 3.56Å; L218-W221 HydrophobicContact CD2-CZ3 3.69Å; L218-W221 PolarHBondContact O-N 2.78Å; L218-T222 PolarHBondContact O-N 3.46Å; L218-T222 PolarHBondContact O-OG1 3.28Å
219T46.8Very low43.9Very low40 Ų4073.3 Ų73.325%0.24542%0.415CS..Hα-helixtrans-62.1-33.3168.355.60000111.6A57 E215 W216 W221 T222 T223A57-T219 HydrophobicContact CB-CG2 3.61Å; E215-T219 HydrophobicContact CG-CG2 4.36Å; E215-T219 WeakPolarHBondContact O-CB 3.19Å; E215-T219 VanDerWaalsContact O-CG2 3.24Å; E215-T219 WeakPolarHBondContact O-CG2 3.29Å; E215-T219 PolarHBondContact O-N 2.82Å; E215-T219 PolarHBondContact O-OG1 3.42Å; W216-T219 VanDerWaalsContact CA-OG1 3.24Å; W216-T219 WeakPolarHBondContact CA-OG1 3.27Å; W216-T219 PolarHBondContact O-OG1 2.84Å; W216-T219 VanDerWaalsContact O-OG1 3.07Å; T219-W221 PolarHBondContact O-N 3.48Å; T219-T222 PolarHBondContact O-OG1 3.46Å; T219-T223 PolarHBondContact O-N 3.44Å; T219-T223 PolarHBondContact O-OG1 3.33Å
220L43.1Very low43.8Very low44 Ų4472.2 Ų72.223%0.2342%0.42CS..Hα-helixtrans-69.3-12.8173.4-114.795.6000114.2W216 L218 C224 L237 C239W216-L220 WeakPolarHBondContact O-CB 3.33Å; W216-L220 VanDerWaalsContact O-CD1 3.27Å; W216-L220 WeakPolarHBondContact O-CD1 3.27Å; W216-L220 PolarHBondContact O-N 2.83Å; W216-L220 VanDerWaalsContact O-N 3.16Å; L218-L220 PolarHBondContact O-N 3.15Å; L220-C224 VanDerWaalsContact C-SG 3.57Å; L220-C224 WeakPolarHBondContact O-CB 3.37Å; L220-C224 PolarHBondContact O-SG 2.97Å; L220-L237 HydrophobicContact CB-CD2 4.25Å; L220-L237 HydrophobicContact CD2-CB 4.07Å; L220-L237 HydrophobicContact CD2-CD2 3.36Å; L220-L237 HydrophobicContact CD2-CG 4.35Å; L220-L237 HydrophobicContact CG-CD2 4.45Å; L220-C239 WeakPolarHBondContact CD2-SG 3.24Å; L220-C239 WeakPolarHBondContact CG-SG 3.38Å
221W46.3Very low43.4Very low66 Ų6679.4 Ų79.425%0.2544%0.444CS..Hα-helixtrans-100.8-25.2178.6-64.9-13000111.8V165 R166 L218 T219V165-W221 HydrophobicContact CB-CZ3 4.26Å; V165-W221 HydrophobicContact CG1-CE3 4.31Å; V165-W221 HydrophobicContact CG1-CZ3 3.73Å; R166-W221 HydrophobicContact CG-CH2 3.54Å; R166-W221 HydrophobicContact CG-CZ2 3.71Å; R166-W221 HydrophobicContact CG-CZ3 4.44Å; L218-W221 HydrophobicContact CD2-CD2 4.5Å; L218-W221 HydrophobicContact CD2-CE3 3.56Å; L218-W221 HydrophobicContact CD2-CZ3 3.69Å; L218-W221 PolarHBondContact O-N 2.78Å; T219-W221 PolarHBondContact O-N 3.48Å
222T44.7Very low43.2Very low51 Ų5178.4 Ų78.431%0.31345%0.447SS..Hα-helixtrans-82.1-22.2177.254.60000113I79 L218 T219I79-T222 HydrophobicContact CB-CG2 4.35Å; I79-T222 HydrophobicContact CD1-CG2 4.45Å; I79-T222 HydrophobicContact CG1-CG2 4.24Å; I79-T222 HydrophobicContact CG2-CG2 3.34Å; L218-T222 PolarHBondContact O-N 3.46Å; L218-T222 PolarHBondContact O-OG1 3.28Å; T219-T222 PolarHBondContact O-OG1 3.46Å
223T39.7Very low42.6Very low62 Ų6276.6 Ų76.638%0.3844%0.436SS..SBendtrans-101.40.4178.558.60000113.9T219T219-T223 PolarHBondContact O-N 3.44Å; T219-T223 PolarHBondContact O-OG1 3.33Å
224C44.8Very low42.9Very low14 Ų1478.2 Ų78.210%0.09543%0.433CS..  trans-151.8115-166.2-12.10000114.3L220 V238 C239L220-C224 VanDerWaalsContact C-SG 3.57Å; L220-C224 WeakPolarHBondContact O-CB 3.37Å; L220-C224 PolarHBondContact O-SG 2.97Å; C224-V238 WeakPolarHBondContact CB-O 3.26Å; C224-C239 WeakPolarHBondContact SG-CA 3.42Å
225G44.5Very low42.3Very low51 Ų5182.2 Ų82.253%0.52645%0.45SS..PPolyproline II helixtrans-73.4148.8-179.500000113.9
226L47.9Very low41.7Very low112 Ų11285.6 Ų85.659%0.58647%0.47SS*.PPolyproline II helixtrans-76.8131.4177.6-67.5159.1000110.9
227S39.2Very low41.5Very low90 Ų9083.7 Ų83.763%0.62947%0.469SS*.PPolyproline II helixtrans-101.2131.9165.3-178.80000109.3
228K40.1Very low41.1Very low118 Ų11882.1 Ų82.151%0.51347%0.466SS..  trans-117.8126.1-179.4-175.8174.7-177.2168.20108.9
229D39.6Very low40.8Very low72 Ų7283 Ų8339%0.38547%0.473SS..  trans-88161.2174.676.1-12.2000112.2Y231 G232 G233D229-Y231 PolarHBondContact O-N 3.27Å; D229-Y231 VanDerWaalsContact O-N 3.11Å; D229-G232 PolarHBondContact OD1-N 3.4Å; D229-G233 PolarHBondContact OD1-N 3.46Å; D229-G233 VanDerWaalsContact OD1-O 3.09Å
230G42.5Very low40.4Very low79 Ų7988 Ų8881%0.81450%0.497SS*.THydrogen-bonded Turntrans-69.6-0.8-174.900000115.4
231Y36.4Very low40.3Very low223 Ų22388 Ų8888%0.87551%0.508SS*.THydrogen-bonded Turntrans-131.636.2179.8-86.3-86000112.7D229 G233D229-Y231 PolarHBondContact O-N 3.27Å; D229-Y231 VanDerWaalsContact O-N 3.11Å; Y231-G233 PolarHBondContact O-N 2.78Å
232G40.4Very low39.9Very low66 Ų6687.9 Ų87.968%0.6853%0.527SS*.SBendtrans60.918.615800000116.6D229D229-G232 PolarHBondContact OD1-N 3.4Å
233G31.8Very low39.4Very low37 Ų3790.7 Ų90.738%0.38155%0.549SS..  trans-109.5118.5177.500000110.3D229 Y231 Q235D229-G233 PolarHBondContact OD1-N 3.46Å; D229-G233 VanDerWaalsContact OD1-O 3.09Å; Y231-G233 PolarHBondContact O-N 2.78Å; G233-Q235 PolarHBondContact O-N 3.24Å
234W48.8Very low39.1Very low156 Ų15695.1 Ų95.159%0.59156%0.559SS**  trans-70.7119.1179.2-57.3101.9000111.1E167E167-W234 HydrophobicContact CG-CZ2 4.23Å
235Q34.9Very low38.9Very low158 Ų15897.1 Ų97.174%0.73858%0.577SS**  trans-109.7108.4164.6-89.516613.200109.7G233G233-Q235 PolarHBondContact O-N 3.24Å
236D35.4Very low38.6Very low136 Ų136101.3 Ų101.373%0.72758%0.582SS**  trans47.9137.6158.2-59.3-36.6000120.9V238D236-V238 PolarHBondContact O-N 2.8Å; D236-V238 VanDerWaalsContact O-N 3.09Å
237L35.3Very low38.4Very low83 Ų83104.4 Ų104.444%0.43559%0.594SS.*  trans-58.8112.6173-79.584.1000110L220 C239L220-L237 HydrophobicContact CB-CD2 4.25Å; L220-L237 HydrophobicContact CD2-CB 4.07Å; L220-L237 HydrophobicContact CD2-CD2 3.36Å; L220-L237 HydrophobicContact CD2-CG 4.35Å; L220-L237 HydrophobicContact CG-CD2 4.45Å; L237-C239 PolarHBondContact O-N 3.43Å
238V36.1Very low38.6Very low53 Ų53107.8 Ų107.832%0.32160%0.6SS.*  trans-84.5110.3170.5175.30000107.5C224 D236 L240C224-V238 WeakPolarHBondContact CB-O 3.26Å; D236-V238 PolarHBondContact O-N 2.8Å; D236-V238 VanDerWaalsContact O-N 3.09Å; V238-L240 HydrophobicContact CG1-CG 4.38Å
239C39.1Very low39Very low31 Ų31105.5 Ų105.521%0.20959%0.59CS.*  trans-82.9123.1166-57.30000111.9L220 C224 L237L220-C239 WeakPolarHBondContact CD2-SG 3.24Å; L220-C239 WeakPolarHBondContact CG-SG 3.38Å; C224-C239 WeakPolarHBondContact SG-CA 3.42Å; L237-C239 PolarHBondContact O-N 3.43Å
240L37.5Very low39.6Very low145 Ų145105.5 Ų105.576%0.75959%0.594SS**SBendtrans-103.530.6165.4-71.3176.6000111.9V238V238-L240 HydrophobicContact CG1-CG 4.38Å
241G41.6Very low40.6Very low44 Ų44107.5 Ų107.545%0.45459%0.585SS.*SBendtrans-147106.4171.900000110.3
242G37Very low41.8Very low64 Ų64102.5 Ų102.566%0.6657%0.57SS**SBendtrans96.597.1173.900000114.6R244G242-R244 PolarHBondContact O-N 2.93Å
243S34Very low43.2Very low111 Ų111104.4 Ų104.478%0.77656%0.561SS**SBendtrans73.514157.8-470000120.1A245S243-A245 PolarHBondContact O-N 2.69Å
244R33.9Very low45.6Very low154 Ų154107.3 Ų107.358%0.58157%0.567SS**THydrogen-bonded Turntrans-82.96.3157-96.7-167.3163179.5-1.5114.9G242 Q246G242-R244 PolarHBondContact O-N 2.93Å; R244-Q246 PolarHBondContact O-N 3.33Å
245A40Very low47.1Very low57 Ų57107.1 Ų107.147%0.47157%0.567SS.*THydrogen-bonded Turntrans-65.4-26.7163.500000110.7S243 K249S243-A245 PolarHBondContact O-N 2.69Å; A245-K249 VanDerWaalsContact CB-CE 3.44Å; A245-K249 VanDerWaalsContact CB-NZ 3.25Å; A245-K249 WeakPolarHBondContact O-CB 3.36Å; A245-K249 WeakPolarHBondContact O-CD 3.27Å; A245-K249 WeakPolarHBondContact O-CE 3.49Å; A245-K249 WeakPolarHBondContact O-CG 3.3Å; A245-K249 PolarHBondContact O-NZ 3.26Å
246Q40Very low49.2Very low138 Ų138103.3 Ų103.365%0.64555%0.551SS**THydrogen-bonded Turntrans-85.1-24.1-167.4-154.586.1-23.500116.9R244 K249R244-Q246 PolarHBondContact O-N 3.33Å; Q246-K249 VanDerWaalsContact OE1-NZ 3.1Å
247E42.4Very low51.6Low178 Ų17899.1 Ų99.183%0.83254%0.536SS*.THydrogen-bonded Turntrans-110-15-170.7-70.2-146.2142.200117.2K249E247-K249 VanDerWaalsContact C-N 3.32Å
248Q43Very low54.3Low160 Ų16099.4 Ų99.475%0.74854%0.537SS*.SBendtrans-86.9-9.3159.6-91.4172.5-23.500112.4Q252Q248-Q252 WeakPolarHBondContact O-CB 3.5Å; Q248-Q252 PolarHBondContact O-N 2.75Å
249K49.7Very low56.8Low70 Ų70101.7 Ų101.730%0.30455%0.546SS..Hα-helixtrans-59.5-43.6-178.6-106.7176.8-148.1154.30113.8A245 Q246 E247 L251 Q253A245-K249 VanDerWaalsContact CB-CE 3.44Å; A245-K249 VanDerWaalsContact CB-NZ 3.25Å; A245-K249 WeakPolarHBondContact O-CB 3.36Å; A245-K249 WeakPolarHBondContact O-CD 3.27Å; A245-K249 WeakPolarHBondContact O-CE 3.49Å; A245-K249 WeakPolarHBondContact O-CG 3.3Å; A245-K249 PolarHBondContact O-NZ 3.26Å; Q246-K249 VanDerWaalsContact OE1-NZ 3.1Å; E247-K249 VanDerWaalsContact C-N 3.32Å; K249-L251 PolarHBondContact O-N 3.2Å; K249-Q253 HydrophobicContact CB-CG 4.3Å; K249-Q253 HydrophobicContact CG-CG 4.08Å; K249-Q253 WeakPolarHBondContact O-CA 3.3Å; K249-Q253 WeakPolarHBondContact O-CB 3.31Å; K249-Q253 WeakPolarHBondContact O-CG 3.23Å; K249-Q253 PolarHBondContact O-N 3.39Å; K249-Q253 PolarHBondContact O-OE1 3.44Å
250P52.3Low59.1Low73 Ų73103.7 Ų103.747%0.47456%0.555SS.*Hα-helixtrans-67.3-43.5-17224.7-31.8000112.4L254P250-L254 WeakPolarHBondContact O-CB 3.26Å; P250-L254 WeakPolarHBondContact O-CD1 3.37Å; P250-L254 VanDerWaalsContact O-CG 3.3Å; P250-L254 WeakPolarHBondContact O-CG 3.46Å; P250-L254 PolarHBondContact O-N 3.2Å
251L62.9Low61.8Low121 Ų121100.7 Ų100.763%0.63454%0.542SS*.Hα-helixtrans-73-44.4180-83163.8000112.4K249 L254 W255K249-L251 PolarHBondContact O-N 3.2Å; L251-L254 WeakPolarHBondContact O-CB 3.49Å; L251-L254 PolarHBondContact O-N 2.88Å; L251-W255 PolarHBondContact O-N 3.13Å
252Q62.8Low64.3Low118 Ų118100.6 Ų100.655%0.55154%0.538SS*.Hα-helixtrans-70.5-35.7178-165.470.65.100111.6Q248 W255 N256Q248-Q252 WeakPolarHBondContact O-CB 3.5Å; Q248-Q252 PolarHBondContact O-N 2.75Å; Q252-W255 PolarHBondContact O-N 3.38Å; Q252-N256 VanDerWaalsContact O-CB 3.29Å; Q252-N256 WeakPolarHBondContact O-CB 2.8Å; Q252-N256 PolarHBondContact O-N 3.09Å; Q252-N256 PolarHBondContact O-ND2 3.36Å; Q252-N256 PolarHBondContact O-OD1 2.93Å
253Q68.1Low66.7Low106 Ų106103.3 Ų103.350%0.49553%0.534SS..Hα-helixtrans-68.8-34.7171.5-67.8172.9-4000111.5K249 N256 A257K249-Q253 HydrophobicContact CB-CG 4.3Å; K249-Q253 HydrophobicContact CG-CG 4.08Å; K249-Q253 WeakPolarHBondContact O-CA 3.3Å; K249-Q253 WeakPolarHBondContact O-CB 3.31Å; K249-Q253 WeakPolarHBondContact O-CG 3.23Å; K249-Q253 PolarHBondContact O-N 3.39Å; K249-Q253 PolarHBondContact O-OE1 3.44Å; Q253-N256 PolarHBondContact O-N 3.49Å; Q253-A257 WeakPolarHBondContact O-CB 2.8Å; Q253-A257 PolarHBondContact O-N 3.25Å
254L82.7Confident69.5Low97 Ų97103.4 Ų103.451%0.50853%0.525SS..Hα-helixtrans-61.7-48.2170.6-94.2157.4000110.9P250 L251 A257 I258P250-L254 WeakPolarHBondContact O-CB 3.26Å; P250-L254 WeakPolarHBondContact O-CD1 3.37Å; P250-L254 VanDerWaalsContact O-CG 3.3Å; P250-L254 WeakPolarHBondContact O-CG 3.46Å; P250-L254 PolarHBondContact O-N 3.2Å; L251-L254 WeakPolarHBondContact O-CB 3.49Å; L251-L254 PolarHBondContact O-N 2.88Å; L254-A257 PolarHBondContact O-N 3.18Å; L254-I258 WeakPolarHBondContact O-CB 3.38Å; L254-I258 WeakPolarHBondContact O-CD1 3.42Å; L254-I258 WeakPolarHBondContact O-CG1 3.27Å; L254-I258 PolarHBondContact O-N 3.04Å
255W79.6Confident72.3Confident152 Ų152101.3 Ų101.358%0.57653%0.525SS*.Hα-helixtrans-63.3-42.6176.6-83.3105.7000112.4L251 Q252 A257 I258 L259L251-W255 PolarHBondContact O-N 3.13Å; Q252-W255 PolarHBondContact O-N 3.38Å; W255-A257 VanDerWaalsContact C-N 3.32Å; W255-A257 PolarHBondContact O-N 2.91Å; W255-I258 PolarHBondContact O-N 3.07Å; W255-L259 WeakPolarHBondContact O-CB 2.81Å; W255-L259 VanDerWaalsContact O-CG 3.26Å; W255-L259 WeakPolarHBondContact O-CG 3.31Å; W255-L259 PolarHBondContact O-N 3.43Å
256N79.5Confident74.7Confident78 Ų78102 Ų10242%0.41753%0.526SS..Hα-helixtrans-65-36.7175.2-68.8-14.3000111.7Q252 Q253 L260Q252-N256 VanDerWaalsContact O-CB 3.29Å; Q252-N256 WeakPolarHBondContact O-CB 2.8Å; Q252-N256 PolarHBondContact O-N 3.09Å; Q252-N256 PolarHBondContact O-ND2 3.36Å; Q252-N256 PolarHBondContact O-OD1 2.93Å; Q253-N256 PolarHBondContact O-N 3.49Å; N256-L260 VanDerWaalsContact O-CB 3.3Å; N256-L260 WeakPolarHBondContact O-CB 3.36Å; N256-L260 PolarHBondContact O-N 2.99Å
257A86.3Confident77Confident48 Ų4898.9 Ų98.940%0.39752%0.516SS..Hα-helixtrans-69.1-41.4174.900000111.5Q253 L254 W255 L260 V261Q253-A257 WeakPolarHBondContact O-CB 2.8Å; Q253-A257 PolarHBondContact O-N 3.25Å; L254-A257 PolarHBondContact O-N 3.18Å; W255-A257 VanDerWaalsContact C-N 3.32Å; W255-A257 PolarHBondContact O-N 2.91Å; A257-L260 PolarHBondContact O-N 2.84Å; A257-V261 WeakPolarHBondContact O-CB 3.13Å; A257-V261 VanDerWaalsContact O-CG2 3.26Å; A257-V261 WeakPolarHBondContact O-CG2 3.43Å; A257-V261 PolarHBondContact O-N 2.84Å
258I91.6Very high79.3Confident90 Ų9091.8 Ų91.846%0.46249%0.491SS..Hα-helixtrans-63-45.3174.8-69.6162.5000110.1L254 W255 V261 A262L254-I258 WeakPolarHBondContact O-CB 3.38Å; L254-I258 WeakPolarHBondContact O-CD1 3.42Å; L254-I258 WeakPolarHBondContact O-CG1 3.27Å; L254-I258 PolarHBondContact O-N 3.04Å; W255-I258 PolarHBondContact O-N 3.07Å; I258-V261 PolarHBondContact O-N 3.33Å; I258-A262 VanDerWaalsContact O-CB 3.31Å; I258-A262 WeakPolarHBondContact O-CB 3.4Å; I258-A262 PolarHBondContact O-N 3.35Å
259L87.9Confident81.5Confident100 Ų10089.5 Ų89.552%0.52448%0.483SS..Hα-helixtrans-64.7-39.6176.4-72.3173.3000111.6W255 A262 M263W255-L259 WeakPolarHBondContact O-CB 2.81Å; W255-L259 VanDerWaalsContact O-CG 3.26Å; W255-L259 WeakPolarHBondContact O-CG 3.31Å; W255-L259 PolarHBondContact O-N 3.43Å; L259-A262 PolarHBondContact O-N 3.17Å; L259-M263 WeakPolarHBondContact O-CB 2.98Å; L259-M263 VanDerWaalsContact O-CG 3.23Å; L259-M263 WeakPolarHBondContact O-CG 2.93Å; L259-M263 PolarHBondContact O-N 2.86Å
260L88.9Confident83.3Confident73 Ų7389.9 Ų89.938%0.38249%0.491SS..Hα-helixtrans-63.4-46.2174.2-94.7166.7000112L34 N256 A257 A262 M263 L264L34-L260 HydrophobicContact CD2-CD1 4.05Å; L34-L260 HydrophobicContact CD2-CD2 3.98Å; L34-L260 HydrophobicContact CD2-CG 4.46Å; N256-L260 VanDerWaalsContact O-CB 3.3Å; N256-L260 WeakPolarHBondContact O-CB 3.36Å; N256-L260 PolarHBondContact O-N 2.99Å; A257-L260 PolarHBondContact O-N 2.84Å; L260-A262 VanDerWaalsContact C-N 3.35Å; L260-M263 PolarHBondContact O-N 2.9Å; L260-L264 WeakPolarHBondContact O-CB 3.32Å; L260-L264 VanDerWaalsContact O-CG 3.26Å; L260-L264 WeakPolarHBondContact O-CG 3.48Å; L260-L264 PolarHBondContact O-N 2.82Å
261V93.6Very high85Confident82 Ų8289.2 Ų89.250%0.49749%0.486SS..Hα-helixtrans-63.3-42.6177172.10000110.5A257 I258 M263 L264 L265A257-V261 WeakPolarHBondContact O-CB 3.13Å; A257-V261 VanDerWaalsContact O-CG2 3.26Å; A257-V261 WeakPolarHBondContact O-CG2 3.43Å; A257-V261 PolarHBondContact O-N 2.84Å; I258-V261 PolarHBondContact O-N 3.33Å; V261-M263 PolarHBondContact O-N 2.87Å; V261-L264 PolarHBondContact O-N 2.96Å; V261-L265 HydrophobicContact CG1-CD1 3.91Å; V261-L265 HydrophobicContact CG1-CG 4.35Å; V261-L265 WeakPolarHBondContact O-CB 2.89Å; V261-L265 VanDerWaalsContact O-CG 3.27Å; V261-L265 WeakPolarHBondContact O-CG 3.42Å; V261-L265 PolarHBondContact O-N 2.91Å
262A93.7Very high86Confident43 Ų4389 Ų8936%0.35548%0.481SS..Hα-helixtrans-61.4-44.1175.300000111.7I258 L259 L260 L265 C266I258-A262 VanDerWaalsContact O-CB 3.31Å; I258-A262 WeakPolarHBondContact O-CB 3.4Å; I258-A262 PolarHBondContact O-N 3.35Å; L259-A262 PolarHBondContact O-N 3.17Å; L260-A262 VanDerWaalsContact C-N 3.35Å; A262-L265 PolarHBondContact O-N 2.77Å; A262-C266 VanDerWaalsContact O-CB 3.31Å; A262-C266 WeakPolarHBondContact O-CB 3.16Å; A262-C266 PolarHBondContact O-N 3.11Å; A262-C266 PolarHBondContact O-SG 2.99Å
263M88.8Confident87Confident120 Ų12086 Ų8659%0.59148%0.477SS*.Hα-helixtrans-66.2-37.5176.7-72.6-60.4-68.300112.5L259 L260 V261 T267L259-M263 WeakPolarHBondContact O-CB 2.98Å; L259-M263 VanDerWaalsContact O-CG 3.23Å; L259-M263 WeakPolarHBondContact O-CG 2.93Å; L259-M263 PolarHBondContact O-N 2.86Å; L260-M263 PolarHBondContact O-N 2.9Å; V261-M263 PolarHBondContact O-N 2.87Å; M263-T267 WeakPolarHBondContact O-CB 3.29Å; M263-T267 VanDerWaalsContact O-CG2 3.24Å; M263-T267 WeakPolarHBondContact O-CG2 3.36Å; M263-T267 PolarHBondContact O-N 2.87Å; M263-T267 PolarHBondContact O-OG1 3.01Å
264L91.9Very high87.4Confident113 Ų11387 Ų8759%0.59248%0.482SS*.Hα-helixtrans-67.8-38.7174.6-72.3171.2000112.1L260 V261 T267 G268L260-L264 WeakPolarHBondContact O-CB 3.32Å; L260-L264 VanDerWaalsContact O-CG 3.26Å; L260-L264 WeakPolarHBondContact O-CG 3.48Å; L260-L264 PolarHBondContact O-N 2.82Å; V261-L264 PolarHBondContact O-N 2.96Å; L264-T267 WeakPolarHBondContact CA-OG1 3.26Å; L264-T267 PolarHBondContact O-OG1 3.47Å; L264-T267 VanDerWaalsContact O-OG1 3.07Å; L264-G268 PolarHBondContact O-N 3.41Å
265L93.3Very high87.1Confident111 Ų11190.1 Ų90.158%0.58149%0.487SS*.Hα-helixtrans-67.8-45.3174.1-71.5171.4000111.2V261 A262 G268 L269V261-L265 HydrophobicContact CG1-CD1 3.91Å; V261-L265 HydrophobicContact CG1-CG 4.35Å; V261-L265 WeakPolarHBondContact O-CB 2.89Å; V261-L265 VanDerWaalsContact O-CG 3.27Å; V261-L265 WeakPolarHBondContact O-CG 3.42Å; V261-L265 PolarHBondContact O-N 2.91Å; A262-L265 PolarHBondContact O-N 2.77Å; L265-G268 PolarHBondContact O-N 2.85Å; L265-L269 WeakPolarHBondContact O-CB 2.98Å; L265-L269 VanDerWaalsContact O-CG 3.3Å; L265-L269 WeakPolarHBondContact O-CG 3.21Å; L265-L269 PolarHBondContact O-N 3.13Å
266C90Very high86.9Confident71 Ų7189.4 Ų89.448%0.4849%0.49SS..Hα-helixtrans-62-45.7177.3-72.40000111.8A262 G268 L269 V270A262-C266 VanDerWaalsContact O-CB 3.31Å; A262-C266 WeakPolarHBondContact O-CB 3.16Å; A262-C266 PolarHBondContact O-N 3.11Å; A262-C266 PolarHBondContact O-SG 2.99Å; C266-G268 VanDerWaalsContact C-N 3.35Å; C266-L269 PolarHBondContact O-N 3.45Å; C266-V270 WeakPolarHBondContact O-CB 3.42Å; C266-V270 VanDerWaalsContact O-CG2 3.27Å; C266-V270 WeakPolarHBondContact O-CG2 3.37Å; C266-V270 PolarHBondContact O-N 2.96Å
267T88.1Confident86.7Confident72 Ų7288.5 Ų88.544%0.44249%0.493SS..Hα-helixtrans-65.9-37.817552.90000111.6M263 L264 V270 V271M263-T267 WeakPolarHBondContact O-CB 3.29Å; M263-T267 VanDerWaalsContact O-CG2 3.24Å; M263-T267 WeakPolarHBondContact O-CG2 3.36Å; M263-T267 PolarHBondContact O-N 2.87Å; M263-T267 PolarHBondContact O-OG1 3.01Å; L264-T267 WeakPolarHBondContact CA-OG1 3.26Å; L264-T267 PolarHBondContact O-OG1 3.47Å; L264-T267 VanDerWaalsContact O-OG1 3.07Å; T267-V270 PolarHBondContact O-N 3.01Å; T267-V271 VanDerWaalsContact O-CB 3.32Å; T267-V271 WeakPolarHBondContact O-CB 3.5Å; T267-V271 WeakPolarHBondContact O-CG2 3.41Å; T267-V271 PolarHBondContact O-N 2.72Å
268G89.9Confident86Confident29 Ų2989.4 Ų89.430%0.29950%0.497SS..Hα-helixtrans-59.6-46.5172.300000113L264 L265 C266 V271 Q272L264-G268 PolarHBondContact O-N 3.41Å; L265-G268 PolarHBondContact O-N 2.85Å; C266-G268 VanDerWaalsContact C-N 3.35Å; G268-V271 PolarHBondContact O-N 3.03Å; G268-Q272 VanDerWaalsContact O-CB 3.3Å; G268-Q272 WeakPolarHBondContact O-CB 3.3Å; G268-Q272 WeakPolarHBondContact O-CG 3.46Å; G268-Q272 PolarHBondContact O-N 3.12Å
269L90.8Very high85Confident112 Ų11293.1 Ų93.159%0.58651%0.505SS*.Hα-helixtrans-65.9-41.8177.1-69.9175.8000111.8L265 C266 Q272 A273L265-L269 WeakPolarHBondContact O-CB 2.98Å; L265-L269 VanDerWaalsContact O-CG 3.3Å; L265-L269 WeakPolarHBondContact O-CG 3.21Å; L265-L269 PolarHBondContact O-N 3.13Å; C266-L269 PolarHBondContact O-N 3.45Å; L269-Q272 PolarHBondContact O-N 3.34Å; L269-A273 VanDerWaalsContact O-CB 3.27Å; L269-A273 WeakPolarHBondContact O-CB 3.5Å; L269-A273 PolarHBondContact O-N 3.13Å
270V87.1Confident84.1Confident79 Ų7993.9 Ų93.948%0.47951%0.506SS..Hα-helixtrans-64.5-43.8175.6171.50000110.8C266 T267 A273 Q274C266-V270 WeakPolarHBondContact O-CB 3.42Å; C266-V270 VanDerWaalsContact O-CG2 3.27Å; C266-V270 WeakPolarHBondContact O-CG2 3.37Å; C266-V270 PolarHBondContact O-N 2.96Å; T267-V270 PolarHBondContact O-N 3.01Å; V270-A273 PolarHBondContact O-N 3.28Å; V270-Q274 HydrophobicContact CG1-CG 4.4Å; V270-Q274 WeakPolarHBondContact O-CB 3.3Å; V270-Q274 VanDerWaalsContact O-CG 3.29Å; V270-Q274 WeakPolarHBondContact O-CG 3.15Å; V270-Q274 PolarHBondContact O-N 3.01Å
271V88.1Confident82.8Confident59 Ų5994 Ų9436%0.35851%0.512SS..Hα-helixtrans-67-37.1176.8170.80000111.2T267 G268 R275T267-V271 VanDerWaalsContact O-CB 3.32Å; T267-V271 WeakPolarHBondContact O-CB 3.5Å; T267-V271 WeakPolarHBondContact O-CG2 3.41Å; T267-V271 PolarHBondContact O-N 2.72Å; G268-V271 PolarHBondContact O-N 3.03Å; V271-R275 HydrophobicContact CG1-CG 4.34Å; V271-R275 WeakPolarHBondContact O-CB 3.44Å; V271-R275 WeakPolarHBondContact O-CG 3.45Å; V271-R275 PolarHBondContact O-N 3.39Å
272Q83.9Confident81.3Confident115 Ų11596.7 Ų96.754%0.53752%0.52SS..Hα-helixtrans-66.3-44.1173.7-77.6177.6-8.600111.5G268 L269 R275 Q276G268-Q272 VanDerWaalsContact O-CB 3.3Å; G268-Q272 WeakPolarHBondContact O-CB 3.3Å; G268-Q272 WeakPolarHBondContact O-CG 3.46Å; G268-Q272 PolarHBondContact O-N 3.12Å; L269-Q272 PolarHBondContact O-N 3.34Å; Q272-R275 PolarHBondContact O-N 3.35Å; Q272-Q276 WeakPolarHBondContact O-CB 3.46Å; Q272-Q276 VanDerWaalsContact O-CG 3.27Å; Q272-Q276 WeakPolarHBondContact O-CG 3.43Å; Q272-Q276 PolarHBondContact O-N 3Å
273A82.6Confident79.7Confident56 Ų56104.3 Ų104.346%0.46354%0.539SS..Hα-helixtrans-63.3-43.8176.100000111.4L269 V270 Q276 A277L269-A273 VanDerWaalsContact O-CB 3.27Å; L269-A273 WeakPolarHBondContact O-CB 3.5Å; L269-A273 PolarHBondContact O-N 3.13Å; V270-A273 PolarHBondContact O-N 3.28Å; A273-Q276 PolarHBondContact O-N 3.49Å; A273-A277 WeakPolarHBondContact O-CB 3.24Å; A273-A277 PolarHBondContact O-N 3.21Å
274Q78.1Confident78.6Confident127 Ų127104.4 Ų104.459%0.59354%0.538SS*.Hα-helixtrans-66-40.2175.1-74.8-179.2-11.100112.1V270 S278V270-Q274 HydrophobicContact CG1-CG 4.4Å; V270-Q274 WeakPolarHBondContact O-CB 3.3Å; V270-Q274 VanDerWaalsContact O-CG 3.29Å; V270-Q274 WeakPolarHBondContact O-CG 3.15Å; V270-Q274 PolarHBondContact O-N 3.01Å; Q274-S278 WeakPolarHBondContact O-CB 2.75Å; Q274-S278 PolarHBondContact O-N 2.96Å
275R76.3Confident77.3Confident162 Ų162104.3 Ų104.361%0.61154%0.538SS*.Hα-helixtrans-66.5-37.3174.1-78.3176.2-178.6-173.82.3111.7V271 Q272 R279V271-R275 HydrophobicContact CG1-CG 4.34Å; V271-R275 WeakPolarHBondContact O-CB 3.44Å; V271-R275 WeakPolarHBondContact O-CG 3.45Å; V271-R275 PolarHBondContact O-N 3.39Å; Q272-R275 PolarHBondContact O-N 3.35Å; R275-R279 WeakPolarHBondContact O-CB 3.45Å; R275-R279 WeakPolarHBondContact O-CG 3.47Å; R275-R279 PolarHBondContact O-N 2.81Å
276Q75.4Confident76Confident138 Ų138100.5 Ų100.565%0.64553%0.525SS*.Hα-helixtrans-67.2-46.2175.6-78.2-178.7-11.100111.1Q272 A273 S278 R279 Q280Q272-Q276 WeakPolarHBondContact O-CB 3.46Å; Q272-Q276 VanDerWaalsContact O-CG 3.27Å; Q272-Q276 WeakPolarHBondContact O-CG 3.43Å; Q272-Q276 PolarHBondContact O-N 3Å; A273-Q276 PolarHBondContact O-N 3.49Å; Q276-S278 PolarHBondContact O-N 2.96Å; Q276-R279 PolarHBondContact O-N 2.87Å; Q276-Q280 WeakPolarHBondContact O-CB 3.49Å; Q276-Q280 PolarHBondContact O-N 2.86Å
277A75.3Confident75.1Confident59 Ų5998.6 Ų98.649%0.48852%0.518SS..Hα-helixtrans-61.8-43175.100000112.1A273 Q280 S281A273-A277 WeakPolarHBondContact O-CB 3.24Å; A273-A277 PolarHBondContact O-N 3.21Å; A277-Q280 PolarHBondContact O-N 2.88Å; A277-S281 PolarHBondContact O-N 3.26Å
278S71.8Confident74.2Confident67 Ų67101.7 Ų101.747%0.46953%0.527SS..Hα-helixtrans-66.6-40175.9-176.50000112.2Q274 Q276 Q280 S281 Q282Q274-S278 WeakPolarHBondContact O-CB 2.75Å; Q274-S278 PolarHBondContact O-N 2.96Å; Q276-S278 PolarHBondContact O-N 2.96Å; S278-Q280 VanDerWaalsContact C-N 3.33Å; S278-Q280 PolarHBondContact O-N 2.94Å; S278-S281 PolarHBondContact O-N 2.73Å; S278-Q282 WeakPolarHBondContact O-CB 3.41Å; S278-Q282 PolarHBondContact O-N 3.42Å
279R68.9Low73.3Confident167 Ų167103.4 Ų103.463%0.6353%0.532SS*.Hα-helixtrans-64.8-36.3173.3-79.5177.2179.3-163.10.5112.2R275 Q276 R283R275-R279 WeakPolarHBondContact O-CB 3.45Å; R275-R279 WeakPolarHBondContact O-CG 3.47Å; R275-R279 PolarHBondContact O-N 2.81Å; Q276-R279 PolarHBondContact O-N 2.87Å; R279-R283 WeakPolarHBondContact O-CB 3.26Å; R279-R283 WeakPolarHBondContact O-CG 3.34Å; R279-R283 PolarHBondContact O-N 3.39Å
280Q68.8Low72.6Confident117 Ų117102.3 Ų102.355%0.54753%0.526SS..Hα-helixtrans-66.3-47.4175.4-174.5172-13.200110.7Q276 A277 S278 Q282 R283 E284Q276-Q280 WeakPolarHBondContact O-CB 3.49Å; Q276-Q280 PolarHBondContact O-N 2.86Å; A277-Q280 PolarHBondContact O-N 2.88Å; S278-Q280 VanDerWaalsContact C-N 3.33Å; S278-Q280 PolarHBondContact O-N 2.94Å; Q280-Q282 PolarHBondContact O-N 3.24Å; Q280-R283 PolarHBondContact O-N 3.16Å; Q280-R283 VanDerWaalsContact O-N 3.17Å; Q280-E284 PolarHBondContact NE2-OE1 3.24Å; Q280-E284 WeakPolarHBondContact O-CG 3.24Å; Q280-E284 PolarHBondContact O-N 3.36Å
281S62.2Low72.2Confident74 Ų74103.9 Ų103.952%0.51753%0.532SS..Hα-helixtrans-59.9-42.9174.8-179.80000112.6A277 S278 E284 L285A277-S281 PolarHBondContact O-N 3.26Å; S278-S281 PolarHBondContact O-N 2.73Å; S281-E284 PolarHBondContact O-N 3.06Å; S281-L285 WeakPolarHBondContact O-CB 3.47Å; S281-L285 PolarHBondContact O-N 3.48Å
282Q62.3Low71.6Confident139 Ų139106.3 Ų106.365%0.6554%0.538SS*.Hα-helixtrans-66.8-35.3175-80.6-167.2-31.500113.2S278 Q280 G286S278-Q282 WeakPolarHBondContact O-CB 3.41Å; S278-Q282 PolarHBondContact O-N 3.42Å; Q280-Q282 PolarHBondContact O-N 3.24Å; Q282-G286 PolarHBondContact O-N 3.19Å
283R61.3Low71.3Confident203 Ų203106 Ų10677%0.76653%0.534SS*.Hα-helixtrans-70.3-39.5175.9-83.9-179.8172.2172.1-2.7112.3R279 Q280 G287R279-R283 WeakPolarHBondContact O-CB 3.26Å; R279-R283 WeakPolarHBondContact O-CG 3.34Å; R279-R283 PolarHBondContact O-N 3.39Å; Q280-R283 PolarHBondContact O-N 3.16Å; Q280-R283 VanDerWaalsContact O-N 3.17Å; R283-G287 PolarHBondContact O-N 2.82Å
284E64.3Low71.2Confident122 Ų122111.7 Ų111.757%0.5754%0.544SS*.Hα-helixtrans-65.2-46175.9-74.4173.8-178.900110.9Q280 S281 G287 Q288Q280-E284 PolarHBondContact NE2-OE1 3.24Å; Q280-E284 WeakPolarHBondContact O-CG 3.24Å; Q280-E284 PolarHBondContact O-N 3.36Å; S281-E284 PolarHBondContact O-N 3.06Å; E284-G287 PolarHBondContact O-N 2.88Å; E284-Q288 WeakPolarHBondContact O-CB 3.36Å; E284-Q288 PolarHBondContact O-N 3.46Å
285L64.3Low71.3Confident112 Ų112113.6 Ų113.659%0.58655%0.546SS*.Hα-helixtrans-65.2-43.4175.9-17264.6000111.9S281 Q288 V289S281-L285 WeakPolarHBondContact O-CB 3.47Å; S281-L285 PolarHBondContact O-N 3.48Å; L285-Q288 PolarHBondContact O-N 3.09Å; L285-V289 VanDerWaalsContact O-CG2 3.27Å; L285-V289 WeakPolarHBondContact O-CG2 3.46Å; L285-V289 PolarHBondContact O-N 2.84Å
286G66.7Low71.4Confident30 Ų30106.1 Ų106.131%0.30952%0.518SS..Hα-helixtrans-62.4-44.4176.300000112.7Q282 Q288 V289 D290Q282-G286 PolarHBondContact O-N 3.19Å; G286-Q288 PolarHBondContact O-N 2.89Å; G286-V289 PolarHBondContact O-N 3.24Å; G286-D290 PolarHBondContact O-N 3.08Å
287G70.9Confident71.7Confident32 Ų32103.3 Ų103.333%0.3351%0.51SS..Hα-helixtrans-63-40175.800000112.7R283 E284 D290 L291R283-G287 PolarHBondContact O-N 2.82Å; E284-G287 PolarHBondContact O-N 2.88Å; G287-D290 PolarHBondContact O-N 2.81Å; G287-L291 WeakPolarHBondContact O-CB 3.18Å; G287-L291 VanDerWaalsContact O-CG 3.27Å; G287-L291 WeakPolarHBondContact O-CG 3.4Å; G287-L291 PolarHBondContact O-N 2.86Å
288Q69.9Low72Confident137 Ų137109.8 Ų109.864%0.6452%0.522SS*.Hα-helixtrans-64.4-42.3175.5-173.1173.1-0.700112E284 L285 G286 F292E284-Q288 WeakPolarHBondContact O-CB 3.36Å; E284-Q288 PolarHBondContact O-N 3.46Å; L285-Q288 PolarHBondContact O-N 3.09Å; G286-Q288 PolarHBondContact O-N 2.89Å; Q288-F292 WeakPolarHBondContact O-CB 3.24Å; Q288-F292 PolarHBondContact O-N 2.78Å
289V69.9Low72.4Confident64 Ų64112.4 Ų112.439%0.38852%0.521SS..Hα-helixtrans-65.6-40.9176.41720000111.5L285 G286 F292 K293L285-V289 VanDerWaalsContact O-CG2 3.27Å; L285-V289 WeakPolarHBondContact O-CG2 3.46Å; L285-V289 PolarHBondContact O-N 2.84Å; G286-V289 PolarHBondContact O-N 3.24Å; V289-F292 PolarHBondContact O-N 3.24Å; V289-K293 HydrophobicContact CG1-CD 4.36Å; V289-K293 WeakPolarHBondContact O-CG 3.33Å; V289-K293 PolarHBondContact O-N 2.85Å
290D76.1Confident73Confident89 Ų89104.8 Ų104.848%0.47649%0.493SS..Hα-helixtrans-69.4-39.1178.6-77.6-18.2000112.5G286 G287 F292 K293 R294G286-D290 PolarHBondContact O-N 3.08Å; G287-D290 PolarHBondContact O-N 2.81Å; D290-F292 VanDerWaalsContact C-N 3.33Å; D290-K293 PolarHBondContact O-N 3.2Å; D290-R294 WeakPolarHBondContact O-CB 3.38Å; D290-R294 VanDerWaalsContact O-CG 3.3Å; D290-R294 WeakPolarHBondContact O-CG 3.27Å; D290-R294 PolarHBondContact O-N 2.81Å
291L78.6Confident73.4Confident113 Ų113102.5 Ų102.559%0.59249%0.494SS*.Hα-helixtrans-63.5-40.3172.3-74.4173.6000111.6G287 R294 R295G287-L291 WeakPolarHBondContact O-CB 3.18Å; G287-L291 VanDerWaalsContact O-CG 3.27Å; G287-L291 WeakPolarHBondContact O-CG 3.4Å; G287-L291 PolarHBondContact O-N 2.86Å; L291-R294 PolarHBondContact O-N 2.85Å; L291-R295 WeakPolarHBondContact O-CB 3.36Å; L291-R295 PolarHBondContact O-N 3.42Å
292F75.8Confident74.2Confident110 Ų110103.6 Ų103.648%0.48250%0.502SS..Hα-helixtrans-63-49.1175.2-178.2-98.5000111.5Q288 V289 D290 R294 R295 V296Q288-F292 WeakPolarHBondContact O-CB 3.24Å; Q288-F292 PolarHBondContact O-N 2.78Å; V289-F292 PolarHBondContact O-N 3.24Å; D290-F292 VanDerWaalsContact C-N 3.33Å; F292-R294 VanDerWaalsContact C-N 3.33Å; F292-R294 PolarHBondContact O-N 2.93Å; F292-R295 WeakPolarHBondContact O-CB 3.08Å; F292-R295 PolarHBondContact O-N 2.95Å; F292-R295 VanDerWaalsContact O-N 3.09Å; F292-V296 HydrophobicContact CD1-CG2 4.19Å; F292-V296 HydrophobicContact CE1-CG2 3.89Å; F292-V296 HydrophobicContact CE2-CG2 4.49Å; F292-V296 HydrophobicContact CZ-CG2 4.08Å; F292-V296 WeakPolarHBondContact O-CG2 3.44Å; F292-V296 PolarHBondContact O-N 3.08Å
293K78.3Confident75.1Confident107 Ų10798.2 Ų98.247%0.46548%0.477SS..Hα-helixtrans-56-45.9174.4-75.1176.3-178.2174.90111.6V289 D290 R295 V296 V297 M357V289-K293 HydrophobicContact CG1-CD 4.36Å; V289-K293 WeakPolarHBondContact O-CG 3.33Å; V289-K293 PolarHBondContact O-N 2.85Å; D290-K293 PolarHBondContact O-N 3.2Å; K293-R295 VanDerWaalsContact C-N 3.32Å; K293-R295 PolarHBondContact O-N 3.04Å; K293-V296 PolarHBondContact O-N 2.79Å; K293-V297 VanDerWaalsContact O-CG2 3.31Å; K293-V297 WeakPolarHBondContact O-CG2 3.48Å; K293-V297 PolarHBondContact O-N 3.35Å; K293-M357 HydrophobicContact CB-CE 4.37Å; K293-M357 HydrophobicContact CG-CE 4.36Å
294R80.1Confident76.1Confident177 Ų17796.3 Ų96.367%0.66848%0.475SS*.Hα-helixtrans-59.7-40.6176.1-76.2176.5-178.2-166.81.6112.3D290 L291 F292 R298D290-R294 WeakPolarHBondContact O-CB 3.38Å; D290-R294 VanDerWaalsContact O-CG 3.3Å; D290-R294 WeakPolarHBondContact O-CG 3.27Å; D290-R294 PolarHBondContact O-N 2.81Å; L291-R294 PolarHBondContact O-N 2.85Å; F292-R294 VanDerWaalsContact C-N 3.33Å; F292-R294 PolarHBondContact O-N 2.93Å; R294-R298 WeakPolarHBondContact O-CB 3.18Å; R294-R298 PolarHBondContact O-N 3.47Å
295R80.6Confident77Confident167 Ų16793.1 Ų93.163%0.6346%0.463SS*.Hα-helixtrans-65.5-43.1177.7-170.6-179.4-69177.4-1.7111.5L291 F292 K293 R298 R299L291-R295 WeakPolarHBondContact O-CB 3.36Å; L291-R295 PolarHBondContact O-N 3.42Å; F292-R295 WeakPolarHBondContact O-CB 3.08Å; F292-R295 PolarHBondContact O-N 2.95Å; F292-R295 VanDerWaalsContact O-N 3.09Å; K293-R295 VanDerWaalsContact C-N 3.32Å; K293-R295 PolarHBondContact O-N 3.04Å; R295-R298 PolarHBondContact O-N 3.09Å; R295-R299 PolarHBondContact O-N 3.37Å; R295-R299 VanDerWaalsContact O-N 3.13Å
296V78Confident77.8Confident5 Ų593.3 Ų93.33%0.0346%0.456CS..Hα-helixtrans-64.5-50.4177.21750000110.8F292 K293 R298 R299 L300 M357 L370F292-V296 HydrophobicContact CD1-CG2 4.19Å; F292-V296 HydrophobicContact CE1-CG2 3.89Å; F292-V296 HydrophobicContact CE2-CG2 4.49Å; F292-V296 HydrophobicContact CZ-CG2 4.08Å; F292-V296 WeakPolarHBondContact O-CG2 3.44Å; F292-V296 PolarHBondContact O-N 3.08Å; K293-V296 PolarHBondContact O-N 2.79Å; V296-R298 VanDerWaalsContact C-N 3.28Å; V296-R298 PolarHBondContact O-N 2.74Å; V296-R299 PolarHBondContact O-N 3.21Å; V296-R299 VanDerWaalsContact O-N 3.09Å; V296-L300 HydrophobicContact CG1-CD1 3.84Å; V296-L300 HydrophobicContact CG1-CG 4.18Å; V296-L300 WeakPolarHBondContact O-CG 3.48Å; V296-L300 PolarHBondContact O-N 2.93Å; V296-M357 HydrophobicContact CB-SD 4.3Å; V296-M357 HydrophobicContact CG1-SD 3.72Å; V296-L370 HydrophobicContact CB-CD1 4.48Å; V296-L370 HydrophobicContact CG1-CD1 4.02Å; V296-L370 HydrophobicContact CG2-CD1 4.14Å
297V82.1Confident78.4Confident78 Ų7897.9 Ų97.947%0.47346%0.464SS..Hα-helixtrans-56.4-42.5177.8172.20000111.6K293 R299 L300 A301 M357K293-V297 VanDerWaalsContact O-CG2 3.31Å; K293-V297 WeakPolarHBondContact O-CG2 3.48Å; K293-V297 PolarHBondContact O-N 3.35Å; V297-R299 PolarHBondContact O-N 3.22Å; V297-L300 PolarHBondContact O-N 3.09Å; V297-A301 WeakPolarHBondContact O-CB 3.47Å; V297-A301 PolarHBondContact O-N 3.04Å; V297-M357 HydrophobicContact CG2-CE 3.69Å; V297-M357 HydrophobicContact CG2-SD 3.53Å; V297-M357 VanDerWaalsContact CG2-SD 3.53Å
298R82.2Confident78.6Confident196 Ų19696.6 Ų96.674%0.7445%0.45SS*.Hα-helixtrans-64.4-39.9178.7-162.8-177.5-70.6171-4.6112R294 R295 V296 S302R294-R298 WeakPolarHBondContact O-CB 3.18Å; R294-R298 PolarHBondContact O-N 3.47Å; R295-R298 PolarHBondContact O-N 3.09Å; V296-R298 VanDerWaalsContact C-N 3.28Å; V296-R298 PolarHBondContact O-N 2.74Å; R298-S302 PolarHBondContact O-N 2.96Å
299R79.1Confident78.6Confident122 Ų122100 Ų10046%0.4646%0.457SS..Hα-helixtrans-68.8-42.4174.2-74.3-167.7177.5-166.3-0.5112R295 V296 V297 A301 S302 L303 L370R295-R299 PolarHBondContact O-N 3.37Å; R295-R299 VanDerWaalsContact O-N 3.13Å; V296-R299 PolarHBondContact O-N 3.21Å; V296-R299 VanDerWaalsContact O-N 3.09Å; V297-R299 PolarHBondContact O-N 3.22Å; R299-A301 VanDerWaalsContact C-N 3.29Å; R299-A301 PolarHBondContact O-N 3.22Å; R299-S302 PolarHBondContact O-N 3.47Å; R299-S302 VanDerWaalsContact O-N 3.07Å; R299-S302 PolarHBondContact O-OG 3.23Å; R299-L303 PolarHBondContact O-N 2.82Å; R299-L370 HydrophobicContact CB-CD2 3.75Å; R299-L370 PolarHBondContact NH1-O 3.35Å; R299-L370 VanDerWaalsContact NH1-O 3.07Å
300L81.2Confident78.4Confident7 Ų799.6 Ų99.64%0.03745%0.453CS..Hα-helixtrans-59.2-41.3174.9-68.3175.1000111.4V296 V297 S302 L303 R339 L356 M357V296-L300 HydrophobicContact CG1-CD1 3.84Å; V296-L300 HydrophobicContact CG1-CG 4.18Å; V296-L300 WeakPolarHBondContact O-CG 3.48Å; V296-L300 PolarHBondContact O-N 2.93Å; V297-L300 PolarHBondContact O-N 3.09Å; L300-S302 PolarHBondContact O-N 2.94Å; L300-L303 HydrophobicContact CD2-CD1 3.83Å; L300-L303 WeakPolarHBondContact O-CB 3.42Å; L300-L303 PolarHBondContact O-N 2.7Å; L300-L303 VanDerWaalsContact O-N 3.07Å; L300-R339 PolarHBondContact O-NH1 2.98Å; L300-R339 PolarHBondContact O-NH2 3.15Å; L300-L356 HydrophobicContact CD1-CB 4.14Å; L300-L356 HydrophobicContact CD2-CB 3.59Å; L300-L356 HydrophobicContact CD2-CD1 3.53Å; L300-L356 HydrophobicContact CD2-CG 4.18Å; L300-M357 HydrophobicContact CD1-CG 3.96Å; L300-M357 HydrophobicContact CD1-SD 3.88Å
301A77.8Confident77.3Confident69 Ų69100 Ų10057%0.5746%0.462SS*.Hα-helixtrans-58.6-33.2175.900000113V297 R299 L303 R339V297-A301 WeakPolarHBondContact O-CB 3.47Å; V297-A301 PolarHBondContact O-N 3.04Å; R299-A301 VanDerWaalsContact C-N 3.29Å; R299-A301 PolarHBondContact O-N 3.22Å; A301-L303 VanDerWaalsContact C-N 3.32Å; A301-L303 PolarHBondContact O-N 3.43Å; A301-R339 PolarHBondContact O-NH2 3.04Å
302S78.9Confident76Confident97 Ų97106.2 Ų106.268%0.67848%0.478SS*.Hα-helixtrans-76.1-12.5177.873.20000114.8R298 R299 L300R298-S302 PolarHBondContact O-N 2.96Å; R299-S302 PolarHBondContact O-N 3.47Å; R299-S302 VanDerWaalsContact O-N 3.07Å; R299-S302 PolarHBondContact O-OG 3.23Å; L300-S302 PolarHBondContact O-N 2.94Å
303L81.3Confident74.7Confident26 Ų26105.5 Ų105.514%0.13649%0.492CS..SBendtrans-68.8142.9177.5-67.1176.3000111.3R299 L300 A301 T305 R339 P342 L356 V369R299-L303 PolarHBondContact O-N 2.82Å; L300-L303 HydrophobicContact CD2-CD1 3.83Å; L300-L303 WeakPolarHBondContact O-CB 3.42Å; L300-L303 PolarHBondContact O-N 2.7Å; L300-L303 VanDerWaalsContact O-N 3.07Å; A301-L303 VanDerWaalsContact C-N 3.32Å; A301-L303 PolarHBondContact O-N 3.43Å; L303-T305 PolarHBondContact O-N 3.46Å; L303-R339 PolarHBondContact O-NH2 3.22Å; L303-P342 HydrophobicContact CD2-CG 4.12Å; L303-L356 HydrophobicContact CD1-CD1 4.44Å; L303-V369 HydrophobicContact CD1-CG1 3.84Å; L303-V369 HydrophobicContact CD2-CG1 4.33Å
304K81.4Confident73.4Confident163 Ų163104.2 Ų104.271%0.70950%0.502SS*.  trans-55.7125.1-179.9-165.286.3178.1-174.90109.8V340K304-V340 HydrophobicContact CB-CB 4.45Å; K304-V340 PolarHBondContact O-N 3.47Å
305T83.1Confident71.9Confident54 Ų54105.2 Ų105.233%0.33151%0.514SS..EExtended strand (participates in β ladder)trans-108.6140.4167.851.20000109L303 L338 R339L303-T305 PolarHBondContact O-N 3.46Å; T305-L338 WeakPolarHBondContact CA-O 3.37Å; T305-R339 VanDerWaalsContact CG2-CZ 3.47Å; T305-R339 VanDerWaalsContact CG2-NH2 3.25Å
306R81.3Confident70.3Confident116 Ų116100.2 Ų100.244%0.43851%0.514SS..EExtended strand (participates in β ladder)trans-125.8136.9176-178175.3174.7-105-1.4107.8L338 V340 E346R306-L338 PolarHBondContact N-O 3.28Å; R306-L338 PolarHBondContact O-N 3.08Å; R306-V340 HydrophobicContact CB-CG2 4.3Å; R306-E346 IonicContact NH1-OE2 3.98Å
307R79.8Confident68.7Low127 Ų127107.1 Ų107.148%0.47955%0.55SS.*EExtended strand (participates in β ladder)trans-85.8123.3169.8-167.7179.3-64.4164.90.7108R309 Q336R307-R309 PolarHBondContact O-N 3.17Å; R307-Q336 WeakPolarHBondContact CA-O 3.26Å
308C75.4Confident66.9Low4 Ų4108 Ų1083%0.02756%0.557CS.*  trans-63.4124.7177.1-171.50000109.9K335 Q336 L338C308-K335 PolarHBondContact O-N 3.11Å; C308-Q336 PolarHBondContact N-O 3.08Å; C308-L338 HydrophobicContact CB-CD1 3.88Å; C308-L338 HydrophobicContact CB-CG 4.13Å
309R68.8Low65.2Low209 Ų209105.9 Ų105.979%0.78956%0.556SS**  trans-119.892.1172-65.7-171.1-172.1-150.44.3107.4R307 S311R307-R309 PolarHBondContact O-N 3.17Å; R309-S311 PolarHBondContact O-N 3.36Å
310L65.8Low63.6Low56 Ų56106.2 Ų106.229%0.29357%0.574SS.*  trans-79106.6165.5-64.3128.1000107.2F332 N334L310-F332 WeakPolarHBondContact CD1-O 3.31Å; L310-N334 VanDerWaalsContact CA-OD1 3.32Å; L310-N334 WeakPolarHBondContact CA-OD1 3.39Å; L310-N334 VanDerWaalsContact CB-OD1 3.31Å; L310-N334 WeakPolarHBondContact CB-OD1 3.49Å; L310-N334 PolarHBondContact N-OD1 2.84Å; L310-N334 PolarHBondContact O-ND2 3.29Å; L310-N334 VanDerWaalsContact O-ND2 3.16Å; L310-N334 PolarHBondContact O-OD1 3.35Å
311S54.3Low62.2Low97 Ų97108.9 Ų108.968%0.67860%0.603SS**  trans-63.7137170.7-154.80000108.3R309 A313 A314R309-S311 PolarHBondContact O-N 3.36Å; S311-A313 PolarHBondContact O-N 3.38Å; S311-A314 PolarHBondContact O-N 3.34Å
312R50.9Low61.2Low244 Ų244110.6 Ų110.692%0.92161%0.606SS**THydrogen-bonded Turntrans-56.4-1.7-178.8-93.9179.2175.7166-3.2114.9
313A49.1Very low60.6Low94 Ų94109.8 Ų109.878%0.77759%0.592SS**THydrogen-bonded Turntrans-85.2-3.3-179.700000115.4S311 Q315S311-A313 PolarHBondContact O-N 3.38Å; A313-Q315 PolarHBondContact O-N 2.65Å
314A51.3Low60.6Low81 Ų81111.6 Ų111.667%0.66960%0.604SS**  trans-100.248.2178.600000113.5S311S311-A314 PolarHBondContact O-N 3.34Å
315Q48Very low60.7Low198 Ų198103.9 Ų103.993%0.92557%0.57SS**  trans-87.315165-87-176.25.400112.9A313A313-Q315 PolarHBondContact O-N 2.65Å
316G46.9Very low60.8Low62 Ų62103.3 Ų103.364%0.63957%0.571SS**SBendtrans-116.2118.7170.800000110.6
317L44Very low61Low150 Ų150100.4 Ų100.479%0.78557%0.566SS**  trans38107.6166.2-150.472.8000117.6E319L317-E319 PolarHBondContact O-N 3.05Å
318P45.3Very low61.3Low95 Ų9596.4 Ų96.462%0.61756%0.557SS**  trans-72.2112.3175.228.8-30.4000110.3
319E45.9Very low61.8Low153 Ų153102.9 Ų102.972%0.71559%0.591SS**  trans-57.6125.3164.2-76.9-69.6124.200109.1L317 G321L317-E319 PolarHBondContact O-N 3.05Å; E319-G321 PolarHBondContact O-N 3.22Å
320P45.3Very low62.4Low128 Ų12897.6 Ų97.683%0.83158%0.578SS**THydrogen-bonded Turntrans-76.388.7-174.230.3-33.1000109.8
321G52.7Low63.2Low63 Ų63102.2 Ų102.265%0.64959%0.593SS**THydrogen-bonded Turntrans171.2-11.2170.500000118.8E319E319-G321 PolarHBondContact O-N 3.22Å
322V55.9Low64.5Low105 Ų10598.1 Ų98.164%0.63656%0.563SS**SBendtrans-119.6-13.9-168.2-165.20000114.2
323E67.3Low65.6Low81 Ų8189.6 Ų89.638%0.37954%0.54SS..SBendtrans-127.224.3-165.3-51.3-60.1159.300115.3Y331 F332E323-Y331 VanDerWaalsContact O-CA 3.31Å; E323-Y331 WeakPolarHBondContact O-CA 3.22Å; E323-F332 VanDerWaalsContact C-CD2 3.4Å; E323-F332 HydrophobicContact CB-CD2 4.49Å; E323-F332 PolarHBondContact O-N 3.22Å
324T79.8Confident66.6Low64 Ų6489.3 Ų89.339%0.39353%0.525SS..BIsolated β-bridgetrans-129.4136.7-18055.20000112.5A326 D330 Y331T324-A326 PolarHBondContact O-N 2.99Å; T324-D330 CarbonylContact C-O 3.6Å; T324-D330 WeakPolarHBondContact CA-O 3.05Å; T324-Y331 HydrophobicContact CG2-CD1 3.38Å; T324-Y331 HydrophobicContact CG2-CE1 3.47Å; T324-Y331 VanDerWaalsContact CG2-CE1 3.47Å; T324-Y331 HydrophobicContact CG2-CG 4.06Å
325C84Confident67.6Low0 Ų093.6 Ų93.60%053%0.529CS..  trans-78115.2175.1-175.10000110.8V327 C328 L329 D330 F332 H348C325-V327 PolarHBondContact O-N 2.98Å; C325-V327 VanDerWaalsContact O-N 3.07Å; C325-C328 PolarHBondContact O-N 3.22Å; C325-L329 WeakPolarHBondContact O-CA 3.41Å; C325-L329 PolarHBondContact O-N 3.19Å; C325-D330 PolarHBondContact N-O 3.34Å; C325-F332 HydrophobicContact CB-CD1 4.37Å; C325-F332 HydrophobicContact CB-CE1 3.65Å; C325-F332 HydrophobicContact CB-CZ 4.31Å; C325-H348 WeakPolarHBondContact CB-ND1 3.49Å; C325-H348 PolarHBondContact SG-N 3.23Å
326A84.6Confident69.3Low42 Ų4287.4 Ų87.435%0.34750%0.5SS..THydrogen-bonded Turntrans-70.7-3.9-178.900000115.4T324 F347 L364T324-A326 PolarHBondContact O-N 2.99Å; A326-F347 HydrophobicContact CB-CE1 3.94Å; A326-L364 HydrophobicContact CB-CD1 4.18Å; A326-L364 HydrophobicContact CB-CD2 3.67Å; A326-L364 HydrophobicContact CB-CG 4.08Å
327V85.3Confident71Confident56 Ų5689.8 Ų89.834%0.33949%0.49SS..THydrogen-bonded Turntrans-90.2-45.3175.71770000111.8C325 F347 C351 P363C325-V327 PolarHBondContact O-N 2.98Å; C325-V327 VanDerWaalsContact O-N 3.07Å; V327-F347 HydrophobicContact CB-CD1 4.49Å; V327-F347 HydrophobicContact CG2-CD1 3.63Å; V327-F347 HydrophobicContact CG2-CE1 3.87Å; V327-C351 HydrophobicContact CB-CB 3.98Å; V327-C351 HydrophobicContact CG1-CB 3.84Å; V327-P363 HydrophobicContact CG2-CB 4.34Å; V327-P363 HydrophobicContact CG2-CG 3.94Å
328C86.6Confident73.1Confident43 Ų4382.7 Ų82.729%0.29145%0.452SS..THydrogen-bonded Turntrans-101.7-6.717866.20000113.7C325 D330 H348C325-C328 PolarHBondContact O-N 3.22Å; C328-D330 PolarHBondContact O-N 2.73Å; C328-H348 PolarHBondContact SG-ND1 3.17Å
329L85.8Confident75Confident139 Ų13978.7 Ų78.773%0.72843%0.425SS*.  trans61.414.2-176.8-51.5176.5000114.5C325C325-L329 WeakPolarHBondContact O-CA 3.41Å; C325-L329 PolarHBondContact O-N 3.19Å
330D82Confident77Confident99 Ų9972.8 Ų72.853%0.52940%0.399SS..PPolyproline II helixtrans-93.2152.9177.6-67.1-47.3000112.6T324 C325 C328T324-D330 CarbonylContact C-O 3.6Å; T324-D330 WeakPolarHBondContact CA-O 3.05Å; C325-D330 PolarHBondContact N-O 3.34Å; C328-D330 PolarHBondContact O-N 2.73Å
331Y81.8Confident79Confident152 Ų15266.9 Ų66.960%0.59636%0.361SS*.BIsolated β-bridgetrans-66.1146.6171.6-64.1-82.4000111.9E323 T324E323-Y331 VanDerWaalsContact O-CA 3.31Å; E323-Y331 WeakPolarHBondContact O-CA 3.22Å; T324-Y331 HydrophobicContact CG2-CD1 3.38Å; T324-Y331 HydrophobicContact CG2-CE1 3.47Å; T324-Y331 VanDerWaalsContact CG2-CE1 3.47Å; T324-Y331 HydrophobicContact CG2-CG 4.06Å
332F81.8Confident80.5Confident11 Ų1167.4 Ų67.45%0.04835%0.353CS..PPolyproline II helixtrans-68.7135.3170.6-58.1-48.4000110.2L310 E323 C325 L338 E346 H348L310-F332 WeakPolarHBondContact CD1-O 3.31Å; E323-F332 VanDerWaalsContact C-CD2 3.4Å; E323-F332 HydrophobicContact CB-CD2 4.49Å; E323-F332 PolarHBondContact O-N 3.22Å; C325-F332 HydrophobicContact CB-CD1 4.37Å; C325-F332 HydrophobicContact CB-CE1 3.65Å; C325-F332 HydrophobicContact CB-CZ 4.31Å; F332-L338 HydrophobicContact CB-CD1 4.31Å; F332-L338 HydrophobicContact CD1-CD1 3.91Å; F332-L338 HydrophobicContact CD1-CD2 3.3Å; F332-L338 HydrophobicContact CD1-CG 4.25Å; F332-L338 HydrophobicContact CD2-CD1 3.93Å; F332-L338 HydrophobicContact CE1-CD1 4.16Å; F332-L338 HydrophobicContact CE1-CD2 3.53Å; F332-L338 HydrophobicContact CE1-CG 4.46Å; F332-L338 HydrophobicContact CE2-CD1 4.22Å; F332-L338 HydrophobicContact CG-CD1 3.79Å; F332-L338 HydrophobicContact CG-CD2 4Å; F332-L338 HydrophobicContact CZ-CD1 4.33Å; F332-L338 HydrophobicContact CZ-CD2 4.41Å; F332-E346 HydrophobicContact CZ-CB 4.32Å; F332-H348 AromaticContact CD1-CD2 3.92Å; F332-H348 AromaticContact CD1-NE2 3.51Å
333C73.9Confident81.9Confident65 Ų6563.9 Ų63.944%0.43933%0.332SS..  trans-111159.3177.8-66.80000112.2K335 Q336C333-K335 PolarHBondContact O-N 3.37Å; C333-Q336 HydrophobicContact CB-CG 4.15Å; C333-Q336 WeakPolarHBondContact O-CB 3.45Å; C333-Q336 PolarHBondContact O-N 3.19Å
334N71.3Confident82.8Confident88 Ų8868.6 Ų68.647%0.47135%0.351SS..THydrogen-bonded Turntrans-56.3134.5178.3-92.7-37.4000112.2L310 Q336L310-N334 VanDerWaalsContact CA-OD1 3.32Å; L310-N334 WeakPolarHBondContact CA-OD1 3.39Å; L310-N334 VanDerWaalsContact CB-OD1 3.31Å; L310-N334 WeakPolarHBondContact CB-OD1 3.49Å; L310-N334 PolarHBondContact N-OD1 2.84Å; L310-N334 PolarHBondContact O-ND2 3.29Å; L310-N334 VanDerWaalsContact O-ND2 3.16Å; L310-N334 PolarHBondContact O-OD1 3.35Å; N334-Q336 PolarHBondContact O-N 3.35Å
335K72.3Confident83.1Confident171 Ų17168.5 Ų68.574%0.74335%0.347SS*.THydrogen-bonded Turntrans69.36.5179.7-52.5-179.4178-171.10116C308 C333C308-K335 PolarHBondContact O-N 3.11Å; C333-K335 PolarHBondContact O-N 3.37Å
336Q82.5Confident83.2Confident68 Ų6871.5 Ų71.532%0.31836%0.36SS..  trans-73.5151.9171.8-72.1176.6-2600112R307 C308 C333 N334 H348R307-Q336 WeakPolarHBondContact CA-O 3.26Å; C308-Q336 PolarHBondContact N-O 3.08Å; C333-Q336 HydrophobicContact CB-CG 4.15Å; C333-Q336 WeakPolarHBondContact O-CB 3.45Å; C333-Q336 PolarHBondContact O-N 3.19Å; N334-Q336 PolarHBondContact O-N 3.35Å; Q336-H348 PolarHBondContact OE1-NE2 2.99Å
337W83.9Confident83.4Confident113 Ų11369.5 Ų69.543%0.42834%0.344SS..EExtended strand (participates in β ladder)trans-90.6114.3176.8-69.798.1000110R349W337-R349 HydrophobicContact CB-CB 4.22Å; W337-R349 WeakPolarHBondContact O-CB 3.4Å; W337-R349 PolarHBondContact O-N 3.11Å
338L86.3Confident83.6Confident0 Ų067.6 Ų67.60%033%0.331CS..EExtended strand (participates in β ladder)trans-98.9142.2173.4-53.5-175.7000109.5T305 R306 C308 F332 F347T305-L338 WeakPolarHBondContact CA-O 3.37Å; R306-L338 PolarHBondContact N-O 3.28Å; R306-L338 PolarHBondContact O-N 3.08Å; C308-L338 HydrophobicContact CB-CD1 3.88Å; C308-L338 HydrophobicContact CB-CG 4.13Å; F332-L338 HydrophobicContact CB-CD1 4.31Å; F332-L338 HydrophobicContact CD1-CD1 3.91Å; F332-L338 HydrophobicContact CD1-CD2 3.3Å; F332-L338 HydrophobicContact CD1-CG 4.25Å; F332-L338 HydrophobicContact CD2-CD1 3.93Å; F332-L338 HydrophobicContact CE1-CD1 4.16Å; F332-L338 HydrophobicContact CE1-CD2 3.53Å; F332-L338 HydrophobicContact CE1-CG 4.46Å; F332-L338 HydrophobicContact CE2-CD1 4.22Å; F332-L338 HydrophobicContact CG-CD1 3.79Å; F332-L338 HydrophobicContact CG-CD2 4Å; F332-L338 HydrophobicContact CZ-CD1 4.33Å; F332-L338 HydrophobicContact CZ-CD2 4.41Å; L338-F347 CarbonylContact C-O 3.49Å; L338-F347 VanDerWaalsContact CA-O 3.24Å; L338-F347 WeakPolarHBondContact CA-O 3.45Å
339R86.6Confident83.6Confident11 Ų1170.5 Ų70.54%0.04234%0.336CS..EExtended strand (participates in β ladder)trans-104.8123.2173.5-174.6123.5-95.6-179.5-12.6107.7L300 A301 L303 T305 F347 R349 V352 D353L300-R339 PolarHBondContact O-NH1 2.98Å; L300-R339 PolarHBondContact O-NH2 3.15Å; A301-R339 PolarHBondContact O-NH2 3.04Å; L303-R339 PolarHBondContact O-NH2 3.22Å; T305-R339 VanDerWaalsContact CG2-CZ 3.47Å; T305-R339 VanDerWaalsContact CG2-NH2 3.25Å; R339-F347 PolarHBondContact N-O 3.19Å; R339-F347 PolarHBondContact O-N 3.03Å; R339-F347 VanDerWaalsContact O-N 3.12Å; R339-R349 HydrophobicContact CB-CB 4.34Å; R339-V352 HydrophobicContact CB-CG1 3.72Å; R339-V352 HydrophobicContact CG-CG1 3.95Å; R339-D353 WeakPolarHBondContact CD-OD1 3.42Å; R339-D353 IonicContact NH1-OD1 3.27Å; R339-D353 PolarHBondContact NH1-OD1 3.19Å; R339-D353 IonicContact NH1-OD2 3.33Å; R339-D353 PolarHBondContact NH1-OD2 3.17Å
340V86.8Confident83.6Confident29 Ų2969.8 Ų69.818%0.17633%0.333CS..EExtended strand (participates in β ladder)trans-101118.2178.4-1730000107.8K304 R306 E346K304-V340 HydrophobicContact CB-CB 4.45Å; K304-V340 PolarHBondContact O-N 3.47Å; R306-V340 HydrophobicContact CB-CG2 4.3Å; V340-E346 HydrophobicContact CG1-CG 4.42Å; V340-E346 HydrophobicContact CG2-CG 4.08Å
341L87.4Confident83.8Confident5 Ų566.9 Ų66.93%0.02632%0.32CS..  trans-77.9161.7178.5-69.5141.6000110.9C343 K344 H345 F347 V352 L356 V369L341-C343 PolarHBondContact O-N 3.15Å; L341-K344 WeakPolarHBondContact O-CA 3.48Å; L341-K344 PolarHBondContact O-N 3.09Å; L341-H345 HydrophobicContact CD1-CB 4.31Å; L341-H345 PolarHBondContact N-O 3.42Å; L341-F347 HydrophobicContact CD1-CD2 3.34Å; L341-F347 HydrophobicContact CD1-CE2 3.2Å; L341-F347 HydrophobicContact CD1-CZ 4.41Å; L341-V352 HydrophobicContact CD1-CG2 4.39Å; L341-L356 HydrophobicContact CD2-CD1 3.87Å; L341-L356 HydrophobicContact CD2-CD2 3.99Å; L341-V369 HydrophobicContact CD2-CB 4.08Å; L341-V369 HydrophobicContact CD2-CG1 3.47Å; L341-V369 VanDerWaalsContact CD2-CG1 3.47Å; L341-V369 HydrophobicContact CD2-CG2 3.36Å
342P84.3Confident84.1Confident73 Ų7359.6 Ų59.647%0.47429%0.292SS..THydrogen-bonded Turntrans-59.6-27.3175.8-2233.4000113.5L303 K344 F367 V369L303-P342 HydrophobicContact CD2-CG 4.12Å; P342-K344 PolarHBondContact O-N 3.31Å; P342-F367 HydrophobicContact CB-CE1 4.21Å; P342-V369 HydrophobicContact CG-CG1 4.12Å
343C86.3Confident84.4Confident31 Ų3160.5 Ų60.521%0.20930%0.297CS..THydrogen-bonded Turntrans-77.79.5172.360.10000113.9L341 H345 C362 C365 F367L341-C343 PolarHBondContact O-N 3.15Å; C343-H345 PolarHBondContact O-N 2.92Å; C343-H345 PolarHBondContact SG-ND1 3.41Å; C343-C362 VanDerWaalsContact SG-SG 3.64Å; C343-C365 VanDerWaalsContact SG-SG 3.69Å; C343-F367 HydrophobicContact CB-CB 4Å; C343-F367 HydrophobicContact CB-CD1 3.92Å; C343-F367 HydrophobicContact CB-CG 3.99Å
344K84.6Confident85Confident180 Ų18061.2 Ų61.278%0.78330%0.301SS*.SBendtrans68.41.2178.4-53177.3-178.8176.20116.6L341 P342L341-K344 WeakPolarHBondContact O-CA 3.48Å; L341-K344 PolarHBondContact O-N 3.09Å; P342-K344 PolarHBondContact O-N 3.31Å
345H86.3Confident85.8Confident63 Ų6361.8 Ų61.829%0.29230%0.296SS..  trans-72.3141.3172.3-64.5104.8000111.7L341 C343 F347 L364 C365L341-H345 HydrophobicContact CD1-CB 4.31Å; L341-H345 PolarHBondContact N-O 3.42Å; C343-H345 PolarHBondContact O-N 2.92Å; C343-H345 PolarHBondContact SG-ND1 3.41Å; H345-F347 HydrophobicContact CB-CD2 4.47Å; H345-F347 HydrophobicContact CB-CE2 3.61Å; H345-F347 HydrophobicContact CB-CZ 4.24Å; H345-L364 HydrophobicContact CB-CD1 4.19Å; H345-L364 VanDerWaalsContact CD2-CD1 3.43Å; H345-L364 WeakPolarHBondContact CD2-CD1 3.44Å; H345-C365 VanDerWaalsContact CE1-SG 3.55Å
346E87.3Confident86.4Confident62 Ų6253.7 Ų53.729%0.2926%0.261SS..EExtended strand (participates in β ladder)trans-111.4138.6-177.2-52.7-160.916900111.6R306 F332 V340R306-E346 IonicContact NH1-OE2 3.98Å; F332-E346 HydrophobicContact CZ-CB 4.32Å; V340-E346 HydrophobicContact CG1-CG 4.42Å; V340-E346 HydrophobicContact CG2-CG 4.08Å
347F88.7Confident86.5Confident0 Ų054 Ų540%026%0.263CS..EExtended strand (participates in β ladder)trans-145.4160.2177.9-59.7-93.3000110.6A326 V327 L338 R339 L341 H345 R349 V352 P363 L364A326-F347 HydrophobicContact CB-CE1 3.94Å; V327-F347 HydrophobicContact CB-CD1 4.49Å; V327-F347 HydrophobicContact CG2-CD1 3.63Å; V327-F347 HydrophobicContact CG2-CE1 3.87Å; L338-F347 CarbonylContact C-O 3.49Å; L338-F347 VanDerWaalsContact CA-O 3.24Å; L338-F347 WeakPolarHBondContact CA-O 3.45Å; R339-F347 PolarHBondContact N-O 3.19Å; R339-F347 PolarHBondContact O-N 3.03Å; R339-F347 VanDerWaalsContact O-N 3.12Å; L341-F347 HydrophobicContact CD1-CD2 3.34Å; L341-F347 HydrophobicContact CD1-CE2 3.2Å; L341-F347 HydrophobicContact CD1-CZ 4.41Å; H345-F347 HydrophobicContact CB-CD2 4.47Å; H345-F347 HydrophobicContact CB-CE2 3.61Å; H345-F347 HydrophobicContact CB-CZ 4.24Å; F347-R349 PolarHBondContact O-N 3.39Å; F347-V352 HydrophobicContact CB-CB 3.63Å; F347-V352 HydrophobicContact CB-CG1 3.92Å; F347-V352 HydrophobicContact CB-CG2 4.06Å; F347-V352 HydrophobicContact CD2-CB 4.48Å; F347-V352 HydrophobicContact CD2-CG2 3.98Å; F347-V352 HydrophobicContact CG-CB 4.09Å; F347-V352 HydrophobicContact CG-CG2 3.98Å; F347-P363 HydrophobicContact CE1-CB 4.2Å; F347-P363 HydrophobicContact CE1-CG 4.04Å; F347-P363 HydrophobicContact CZ-CB 4.19Å; F347-P363 HydrophobicContact CZ-CG 3.98Å; F347-L364 HydrophobicContact CE1-CD1 4.15Å; F347-L364 HydrophobicContact CE1-CG 4.25Å; F347-L364 HydrophobicContact CE2-CD1 4.42Å; F347-L364 HydrophobicContact CZ-CB 4.45Å; F347-L364 HydrophobicContact CZ-CD1 3.6Å; F347-L364 HydrophobicContact CZ-CG 3.76Å
348H88.8Confident86.4Confident17 Ų1755.8 Ų55.88%0.07928%0.281CS..EExtended strand (participates in β ladder)trans-57.6132.2164.8-65126.8000109.7C325 C328 F332 Q336 D350 C351 V352C325-H348 WeakPolarHBondContact CB-ND1 3.49Å; C325-H348 PolarHBondContact SG-N 3.23Å; C328-H348 PolarHBondContact SG-ND1 3.17Å; F332-H348 AromaticContact CD1-CD2 3.92Å; F332-H348 AromaticContact CD1-NE2 3.51Å; Q336-H348 PolarHBondContact OE1-NE2 2.99Å; H348-D350 PolarHBondContact O-N 3.23Å; H348-C351 HydrophobicContact CB-CB 3.91Å; H348-C351 VanDerWaalsContact CB-SG 3.6Å; H348-C351 PolarHBondContact O-N 3.34Å; H348-V352 WeakPolarHBondContact O-CG1 3.46Å; H348-V352 PolarHBondContact O-N 3.05Å
349R86.2Confident86Confident103 Ų10360.7 Ų60.739%0.38930%0.304SS..Hα-helixtrans-52.6-46.3177.7177.7-176.7156.5-162.5-12.5111.1W337 R339 F347 C351 V352 D353W337-R349 HydrophobicContact CB-CB 4.22Å; W337-R349 WeakPolarHBondContact O-CB 3.4Å; W337-R349 PolarHBondContact O-N 3.11Å; R339-R349 HydrophobicContact CB-CB 4.34Å; F347-R349 PolarHBondContact O-N 3.39Å; R349-C351 VanDerWaalsContact C-N 3.27Å; R349-C351 PolarHBondContact O-N 3.4Å; R349-V352 PolarHBondContact O-N 3.39Å; R349-D353 WeakPolarHBondContact CG-OD2 3.3Å; R349-D353 IonicContact NE-OD2 3.47Å; R349-D353 PolarHBondContact NE-OD2 3.38Å; R349-D353 WeakPolarHBondContact O-CB 3.47Å; R349-D353 PolarHBondContact O-N 3.29Å
350D86.6Confident86Confident125 Ų12562.7 Ų62.767%0.66831%0.313SS*.Hα-helixtrans-71-23-176.7-54.8-40.4000113H348 P354H348-D350 PolarHBondContact O-N 3.23Å; D350-P354 WeakPolarHBondContact O-CD 3.2Å; D350-P354 WeakPolarHBondContact O-CG 3.44Å
351C86.6Confident86.1Confident37 Ų3763 Ų6325%0.2532%0.316CS..Hα-helixtrans-84.8-39.3177-60.20000112.2V327 H348 R349V327-C351 HydrophobicContact CB-CB 3.98Å; V327-C351 HydrophobicContact CG1-CB 3.84Å; H348-C351 HydrophobicContact CB-CB 3.91Å; H348-C351 VanDerWaalsContact CB-SG 3.6Å; H348-C351 PolarHBondContact O-N 3.34Å; R349-C351 VanDerWaalsContact C-N 3.27Å; R349-C351 PolarHBondContact O-N 3.4Å
352V88.2Confident86.1Confident0 Ų062.9 Ų62.90%032%0.315CS..Hα-helixtrans-90.6-28.1-174.179.10000113.3R339 L341 F347 H348 R349 W355 L356 P363R339-V352 HydrophobicContact CB-CG1 3.72Å; R339-V352 HydrophobicContact CG-CG1 3.95Å; L341-V352 HydrophobicContact CD1-CG2 4.39Å; F347-V352 HydrophobicContact CB-CB 3.63Å; F347-V352 HydrophobicContact CB-CG1 3.92Å; F347-V352 HydrophobicContact CB-CG2 4.06Å; F347-V352 HydrophobicContact CD2-CB 4.48Å; F347-V352 HydrophobicContact CD2-CG2 3.98Å; F347-V352 HydrophobicContact CG-CB 4.09Å; F347-V352 HydrophobicContact CG-CG2 3.98Å; H348-V352 WeakPolarHBondContact O-CG1 3.46Å; H348-V352 PolarHBondContact O-N 3.05Å; R349-V352 PolarHBondContact O-N 3.39Å; V352-W355 WeakPolarHBondContact O-CB 3.5Å; V352-W355 PolarHBondContact O-N 3.11Å; V352-L356 HydrophobicContact CG1-CD1 4.34Å; V352-L356 HydrophobicContact CG2-CD1 4.02Å; V352-L356 HydrophobicContact CG2-CG 4.08Å; V352-L356 VanDerWaalsContact O-CG 3.28Å; V352-L356 WeakPolarHBondContact O-CG 3.47Å; V352-L356 PolarHBondContact O-N 3.41Å; V352-P363 HydrophobicContact CG2-CG 4.38Å
353D86.8Confident86.3Confident29 Ų2961.3 Ų61.316%0.15531%0.305CS..Hα-helixtrans-59.9-43.6179.1-76.2-6.6000112.3R339 R349 W355 L356 M357R339-D353 WeakPolarHBondContact CD-OD1 3.42Å; R339-D353 IonicContact NH1-OD1 3.27Å; R339-D353 PolarHBondContact NH1-OD1 3.19Å; R339-D353 IonicContact NH1-OD2 3.33Å; R339-D353 PolarHBondContact NH1-OD2 3.17Å; R349-D353 WeakPolarHBondContact CG-OD2 3.3Å; R349-D353 IonicContact NE-OD2 3.47Å; R349-D353 PolarHBondContact NE-OD2 3.38Å; R349-D353 WeakPolarHBondContact O-CB 3.47Å; R349-D353 PolarHBondContact O-N 3.29Å; D353-W355 PolarHBondContact O-N 3.16Å; D353-L356 PolarHBondContact O-N 3.45Å; D353-M357 VanDerWaalsContact O-CG 3.28Å; D353-M357 WeakPolarHBondContact O-CG 3.25Å; D353-M357 PolarHBondContact O-N 2.91Å
354P87.8Confident86.3Confident81 Ų8164.4 Ų64.453%0.52632%0.319SS..Hα-helixtrans-64.1-37.8174.1-21.833.4000113.2D350 M357 L358D350-P354 WeakPolarHBondContact O-CD 3.2Å; D350-P354 WeakPolarHBondContact O-CG 3.44Å; P354-M357 PolarHBondContact O-N 3.26Å; P354-L358 PolarHBondContact O-N 3.11Å
355W87.7Confident86.4Confident99 Ų9958.7 Ų58.738%0.37530%0.301SS..Hα-helixtrans-61-48.5175.4179.1-85.2000110.6V352 D353 M357 L358 Q359 T361 P363V352-W355 WeakPolarHBondContact O-CB 3.5Å; V352-W355 PolarHBondContact O-N 3.11Å; D353-W355 PolarHBondContact O-N 3.16Å; W355-M357 VanDerWaalsContact C-N 3.27Å; W355-M357 PolarHBondContact O-N 2.92Å; W355-L358 PolarHBondContact O-N 3.41Å; W355-Q359 PolarHBondContact O-N 2.96Å; W355-Q359 VanDerWaalsContact O-O 3.12Å; W355-T361 PolarHBondContact NE1-O 3.25Å; W355-P363 HydrophobicContact CD2-CG 4.18Å; W355-P363 HydrophobicContact CG-CG 4.01Å
356L85.6Confident86.4Confident1 Ų164 Ų641%0.00532%0.323CS..Hα-helixtrans-69.6-23.1-178.4-63.3170.5000114.1L300 L303 L341 V352 D353 L358 Q359 V369L300-L356 HydrophobicContact CD1-CB 4.14Å; L300-L356 HydrophobicContact CD2-CB 3.59Å; L300-L356 HydrophobicContact CD2-CD1 3.53Å; L300-L356 HydrophobicContact CD2-CG 4.18Å; L303-L356 HydrophobicContact CD1-CD1 4.44Å; L341-L356 HydrophobicContact CD2-CD1 3.87Å; L341-L356 HydrophobicContact CD2-CD2 3.99Å; V352-L356 HydrophobicContact CG1-CD1 4.34Å; V352-L356 HydrophobicContact CG2-CD1 4.02Å; V352-L356 HydrophobicContact CG2-CG 4.08Å; V352-L356 VanDerWaalsContact O-CG 3.28Å; V352-L356 WeakPolarHBondContact O-CG 3.47Å; V352-L356 PolarHBondContact O-N 3.41Å; D353-L356 PolarHBondContact O-N 3.45Å; L356-L358 VanDerWaalsContact C-N 3.27Å; L356-Q359 WeakPolarHBondContact CA-O 3.39Å; L356-V369 HydrophobicContact CD2-CB 4.24Å; L356-V369 HydrophobicContact CD2-CG1 4.49Å; L356-V369 HydrophobicContact CD2-CG2 3.69Å
357M83.1Confident86.3Confident74 Ų7466 Ų6637%0.36533%0.331SS..Hα-helixtrans-68.4-27.8170.4-75.7-70.1-70.600112.5K293 V296 V297 L300 D353 P354 W355K293-M357 HydrophobicContact CB-CE 4.37Å; K293-M357 HydrophobicContact CG-CE 4.36Å; V296-M357 HydrophobicContact CB-SD 4.3Å; V296-M357 HydrophobicContact CG1-SD 3.72Å; V297-M357 HydrophobicContact CG2-CE 3.69Å; V297-M357 HydrophobicContact CG2-SD 3.53Å; V297-M357 VanDerWaalsContact CG2-SD 3.53Å; L300-M357 HydrophobicContact CD1-CG 3.96Å; L300-M357 HydrophobicContact CD1-SD 3.88Å; D353-M357 VanDerWaalsContact O-CG 3.28Å; D353-M357 WeakPolarHBondContact O-CG 3.25Å; D353-M357 PolarHBondContact O-N 2.91Å; P354-M357 PolarHBondContact O-N 3.26Å; W355-M357 VanDerWaalsContact C-N 3.27Å; W355-M357 PolarHBondContact O-N 2.92Å
358L81.6Confident86.1Confident152 Ų15269.4 Ų69.480%0.79635%0.349SS*.Hα-helixtrans-97.2-51.4-179.3-168.669.9000111.8P354 W355 L356P354-L358 PolarHBondContact O-N 3.11Å; W355-L358 PolarHBondContact O-N 3.41Å; L356-L358 VanDerWaalsContact C-N 3.27Å
359Q78.9Confident85.7Confident103 Ų10369.2 Ų69.248%0.48135%0.349SS..  trans-126.4110.2178.5-66.1-158.6-27.800108.7W355 L356 T361W355-Q359 PolarHBondContact O-N 2.96Å; W355-Q359 VanDerWaalsContact O-O 3.12Å; L356-Q359 WeakPolarHBondContact CA-O 3.39Å; Q359-T361 PolarHBondContact O-N 3.35Å
360Q86.6Confident85.1Confident52 Ų5265.3 Ų65.324%0.24334%0.336CS..  trans-70.229.9-175.9-57.8176.11.900113.1N368 V369 L370Q360-N368 CarbonylContact O-C 3.53Å; Q360-N368 WeakPolarHBondContact O-CA 3.39Å; Q360-N368 PolarHBondContact O-OD1 2.92Å; Q360-V369 WeakPolarHBondContact O-CG2 3.38Å; Q360-V369 PolarHBondContact O-N 3.39Å; Q360-L370 HydrophobicContact CB-CB 4.3Å; Q360-L370 HydrophobicContact CB-CD1 4.07Å; Q360-L370 HydrophobicContact CB-CG 4.08Å; Q360-L370 VanDerWaalsContact CD-CD1 3.42Å; Q360-L370 HydrophobicContact CG-CD1 3.64Å; Q360-L370 HydrophobicContact CG-CG 4.23Å
361T89Confident84.1Confident37 Ų3761.1 Ų61.123%0.22732%0.323CS..BIsolated β-bridgetrans-125146-170.750.60000110.5W355 Q359 K366 F367W355-T361 PolarHBondContact NE1-O 3.25Å; Q359-T361 PolarHBondContact O-N 3.35Å; T361-K366 WeakPolarHBondContact CB-O 3.34Å; T361-K366 WeakPolarHBondContact CG2-O 3.38Å; T361-F367 CarbonylContact C-O 3.6Å; T361-F367 VanDerWaalsContact CA-O 3.27Å; T361-F367 WeakPolarHBondContact CA-O 3.26Å
362C88.2Confident82.3Confident1 Ų165.5 Ų65.51%0.00734%0.344CS..  trans-61.5131.1174.3-178.10000111.1C343 L364 C365 K366 F367C343-C362 VanDerWaalsContact SG-SG 3.64Å; C362-L364 PolarHBondContact O-N 3.12Å; C362-L364 PolarHBondContact SG-N 3.11Å; C362-C365 VanDerWaalsContact CB-SG 3.52Å; C362-C365 VanDerWaalsContact SG-SG 3.62Å; C362-K366 WeakPolarHBondContact O-CA 3.24Å; C362-K366 PolarHBondContact O-N 3.41Å; C362-F367 HydrophobicContact CB-CB 4.38Å; C362-F367 PolarHBondContact N-O 3.49Å
363P88.4Confident80.2Confident40 Ų4077.1 Ų77.126%0.2639%0.387SS..THydrogen-bonded Turntrans-58.3-28.8175.7-23.530.8000114.2V327 F347 V352 W355V327-P363 HydrophobicContact CG2-CB 4.34Å; V327-P363 HydrophobicContact CG2-CG 3.94Å; F347-P363 HydrophobicContact CE1-CB 4.2Å; F347-P363 HydrophobicContact CE1-CG 4.04Å; F347-P363 HydrophobicContact CZ-CB 4.19Å; F347-P363 HydrophobicContact CZ-CG 3.98Å; V352-P363 HydrophobicContact CG2-CG 4.38Å; W355-P363 HydrophobicContact CD2-CG 4.18Å; W355-P363 HydrophobicContact CG-CG 4.01Å
364L86.1Confident78.3Confident96 Ų9685.5 Ų85.550%0.50342%0.418SS..THydrogen-bonded Turntrans-87.9-53.5-176.3-73.1169.9000112.6A326 H345 F347 C362A326-L364 HydrophobicContact CB-CD1 4.18Å; A326-L364 HydrophobicContact CB-CD2 3.67Å; A326-L364 HydrophobicContact CB-CG 4.08Å; H345-L364 HydrophobicContact CB-CD1 4.19Å; H345-L364 VanDerWaalsContact CD2-CD1 3.43Å; H345-L364 WeakPolarHBondContact CD2-CD1 3.44Å; F347-L364 HydrophobicContact CE1-CD1 4.15Å; F347-L364 HydrophobicContact CE1-CG 4.25Å; F347-L364 HydrophobicContact CE2-CD1 4.42Å; F347-L364 HydrophobicContact CZ-CB 4.45Å; F347-L364 HydrophobicContact CZ-CD1 3.6Å; F347-L364 HydrophobicContact CZ-CG 3.76Å; C362-L364 PolarHBondContact O-N 3.12Å; C362-L364 PolarHBondContact SG-N 3.11Å
365C85.3Confident76.1Confident60 Ų6086.9 Ų86.941%0.40543%0.43SS..THydrogen-bonded Turntrans-109.52.7-171.964.50000114.4C343 H345 C362 F367C343-C365 VanDerWaalsContact SG-SG 3.69Å; H345-C365 VanDerWaalsContact CE1-SG 3.55Å; C362-C365 VanDerWaalsContact CB-SG 3.52Å; C362-C365 VanDerWaalsContact SG-SG 3.62Å; C365-F367 PolarHBondContact O-N 2.84Å; C365-F367 WeakPolarHBondContact SG-CB 3.44Å
366K86.5Confident73.7Confident174 Ų17490.1 Ų90.176%0.75746%0.455SS*.  trans57.18.6-176.1-56.2-177.8-179.1-179.60115.3T361 C362 N368T361-K366 WeakPolarHBondContact CB-O 3.34Å; T361-K366 WeakPolarHBondContact CG2-O 3.38Å; C362-K366 WeakPolarHBondContact O-CA 3.24Å; C362-K366 PolarHBondContact O-N 3.41Å; K366-N368 PolarHBondContact O-N 3.05Å
367F85.3Confident71.1Confident105 Ų105101.7 Ų101.746%0.46152%0.517SS..  trans-58.1130.4177.3-179-93.7000111.3P342 C343 T361 C362 C365 V369P342-F367 HydrophobicContact CB-CE1 4.21Å; C343-F367 HydrophobicContact CB-CB 4Å; C343-F367 HydrophobicContact CB-CD1 3.92Å; C343-F367 HydrophobicContact CB-CG 3.99Å; T361-F367 CarbonylContact C-O 3.6Å; T361-F367 VanDerWaalsContact CA-O 3.27Å; T361-F367 WeakPolarHBondContact CA-O 3.26Å; C362-F367 HydrophobicContact CB-CB 4.38Å; C362-F367 PolarHBondContact N-O 3.49Å; C365-F367 PolarHBondContact O-N 2.84Å; C365-F367 WeakPolarHBondContact SG-CB 3.44Å; F367-V369 PolarHBondContact O-N 3.19Å
368N84.5Confident70.5Confident72 Ų72103.1 Ų103.139%0.38552%0.524SS..BIsolated β-bridgetrans-72.9110.5179.2-170.4-22000110.7Q360 K366 L370 G371Q360-N368 CarbonylContact O-C 3.53Å; Q360-N368 WeakPolarHBondContact O-CA 3.39Å; Q360-N368 PolarHBondContact O-OD1 2.92Å; K366-N368 PolarHBondContact O-N 3.05Å; N368-L370 VanDerWaalsContact C-N 3.3Å; N368-L370 PolarHBondContact O-N 3.46Å; N368-L370 PolarHBondContact OD1-N 3.37Å; N368-G371 VanDerWaalsContact CG-CA 3.5Å; N368-G371 PolarHBondContact O-N 3.25Å; N368-G371 WeakPolarHBondContact OD1-CA 3.49Å; N368-G371 PolarHBondContact OD1-N 2.71Å
369V81.1Confident69.9Low13 Ų13100.5 Ų100.58%0.07951%0.51CS..THydrogen-bonded Turntrans-73.7-25.9-174.2-171.70000111.6L303 L341 P342 L356 Q360 F367L303-V369 HydrophobicContact CD1-CG1 3.84Å; L303-V369 HydrophobicContact CD2-CG1 4.33Å; L341-V369 HydrophobicContact CD2-CB 4.08Å; L341-V369 HydrophobicContact CD2-CG1 3.47Å; L341-V369 VanDerWaalsContact CD2-CG1 3.47Å; L341-V369 HydrophobicContact CD2-CG2 3.36Å; P342-V369 HydrophobicContact CG-CG1 4.12Å; L356-V369 HydrophobicContact CD2-CB 4.24Å; L356-V369 HydrophobicContact CD2-CG1 4.49Å; L356-V369 HydrophobicContact CD2-CG2 3.69Å; Q360-V369 WeakPolarHBondContact O-CG2 3.38Å; Q360-V369 PolarHBondContact O-N 3.39Å; F367-V369 PolarHBondContact O-N 3.19Å
370L74.3Confident69.4Low20 Ų20100.4 Ų100.411%0.10551%0.511CS..THydrogen-bonded Turntrans-1076.5178.4-56.3-171.9000112.5V296 R299 Q360 N368 N372V296-L370 HydrophobicContact CB-CD1 4.48Å; V296-L370 HydrophobicContact CG1-CD1 4.02Å; V296-L370 HydrophobicContact CG2-CD1 4.14Å; R299-L370 HydrophobicContact CB-CD2 3.75Å; R299-L370 PolarHBondContact NH1-O 3.35Å; R299-L370 VanDerWaalsContact NH1-O 3.07Å; Q360-L370 HydrophobicContact CB-CB 4.3Å; Q360-L370 HydrophobicContact CB-CD1 4.07Å; Q360-L370 HydrophobicContact CB-CG 4.08Å; Q360-L370 VanDerWaalsContact CD-CD1 3.42Å; Q360-L370 HydrophobicContact CG-CD1 3.64Å; Q360-L370 HydrophobicContact CG-CG 4.23Å; N368-L370 VanDerWaalsContact C-N 3.3Å; N368-L370 PolarHBondContact O-N 3.46Å; N368-L370 PolarHBondContact OD1-N 3.37Å; L370-N372 PolarHBondContact O-N 2.83Å
371G64Low68.4Low38 Ų38103.2 Ų103.239%0.39253%0.527SS..  trans-57.3124.6-170.100000113N368N368-G371 VanDerWaalsContact CG-CA 3.5Å; N368-G371 PolarHBondContact O-N 3.25Å; N368-G371 WeakPolarHBondContact OD1-CA 3.49Å; N368-G371 PolarHBondContact OD1-N 2.71Å
372N50.4Low67.1Low129 Ų129107.4 Ų107.469%0.6955%0.546SS*.  trans-56.3135.3160.1-130.526.5000107.7L370 Y374L370-N372 PolarHBondContact O-N 2.83Å; N372-Y374 VanDerWaalsContact C-N 3.28Å; N372-Y374 PolarHBondContact O-N 3.44Å
373R42.8Very low65.7Low244 Ų244114.5 Ų114.592%0.92158%0.582SS**SBendtrans-62.892.5166.6-59.2169.6101.9152.83.9107.3
374Y46.8Very low64.1Low204 Ų204119.8 Ų119.880%0.861%0.605SS**  trans-145.476.5171.6-107.4-80.8000108.9N372N372-Y374 VanDerWaalsContact C-N 3.28Å; N372-Y374 PolarHBondContact O-N 3.44Å
375S42Very low62.4Low111 Ų111121.6 Ų121.678%0.77661%0.613SS**  trans-175.473.3157.549.90000106.4
376D36.5Very low60.5Low167 Ų167126.8 Ų126.889%0.89363%0.63SS**  trans-128.489.7149.7-92.9-34.6000104.4
377D31.6Very low58.1Low244 Ų244122.5 Ų122.5100%1.30562%0.619SS**  trans-158.90142.1-103.1-32.3000107.9

Retrieved 377 of 377 residues in 852.4 ms (Link to these results)