A0A096MGK9_POEFO Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A096MGK9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 408 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
1M27.1Very low28.5Very low225 Ų225146.1 Ų146.1100%1.10881%0.812SS**  091.90-79.6158104.900106.4
2T24.9Very low28.6Very low120 Ų120144.7 Ų144.774%0.73682%0.817SS**  84.297.89249.80000108.4
3S24.3Very low28.8Very low109 Ų109146.2 Ų146.276%0.76282%0.82SS**  99.5120.874.161.70000110.1
4E25.6Very low28.8Very low169 Ų169147.4 Ų147.479%0.7982%0.823SS**  trans-44.6177.2154.1-101.6-166.9-170.800114
5P39.9Very low28.7Very low98 Ų98149.6 Ų149.664%0.63683%0.831SS**  cis-145.117512.718.89.9000118.2
6L27.4Very low28.7Very low152 Ų152145.1 Ų145.180%0.79683%0.829SS**  trans25.8110.8136.8-64.1143.9000120
7V30.2Very low29Very low132 Ų132147.8 Ų147.880%0.883%0.832SS**  trans-164116.3133178.60000106.5
8F27.5Very low29.1Very low187 Ų187150.2 Ų150.282%0.8284%0.839SS**  trans16475.3151.7-97.4-71.2000109.9
9C29.8Very low29Very low131 Ų131146.4 Ų146.489%0.88584%0.836SS**SBendtrans-163.845.6159.7-117.60000112.5
10L28.3Very low29.1Very low165 Ų165148 Ų14886%0.86484%0.836SS**SBendtrans-138.719.5177.3-124.9105000115.3
11T29.1Very low29.2Very low119 Ų119149.1 Ų149.173%0.7384%0.839SS**SBendtrans-115.16.2-176.439.60000115.7
12C29.8Very low29.3Very low129 Ų129147 Ų14787%0.87282%0.823SS**SBendtrans-101.48.6175.5-74.30000115.1
13L30.5Very low29.7Very low165 Ų165149.7 Ų149.786%0.86483%0.831SS**SBendtrans-106.19.7-177.3-94.3162.3000115.3
14L28.5Very low30.2Very low163 Ų163148.5 Ų148.585%0.85382%0.823SS**SBendtrans-127.510.6-176.5-76.1172.3000116.1
15L28.5Very low30.5Very low180 Ų180149.3 Ų149.394%0.94282%0.824SS**SBendtrans-135.385172.1-74.2168.9000109.8
16G28.2Very low30.2Very low78 Ų78149.5 Ų149.580%0.80483%0.828SS**  trans17537.5178.200000113.6
17Q33.5Very low30.6Very low190 Ų190144.5 Ų144.589%0.88881%0.813SS**  trans-87.3132.1159.2-127.6174.4-6.600106.5
18M31.1Very low31Very low192 Ų192145 Ų14595%0.94681%0.805SS**SBendtrans92.892-176.2-50.4-71.5-79.300114.7
19G27.4Very low31.2Very low77 Ų77145.2 Ų145.279%0.79480%0.802SS**  trans151.392.9163.600000115.2
20E30Very low31.4Very low178 Ų178143 Ų14383%0.83278%0.784SS**  trans31.8118.1151.6-56.1-163.816300121.5F22E20-F22 VanDerWaalsContact C-N 3.33Å; E20-F22 PolarHBondContact O-N 3.47Å; E20-F22 VanDerWaalsContact O-N 3.13Å
21I32.1Very low31.7Very low173 Ų173142.7 Ų142.789%0.88778%0.776SS**  trans-79.781.8160.2-59.3170000108.2
22F29.8Very low32.1Very low180 Ų180140 Ų14079%0.78976%0.762SS**  trans-140.8137.5155.2-100.5-91.7000105.4E20E20-F22 VanDerWaalsContact C-N 3.33Å; E20-F22 PolarHBondContact O-N 3.47Å; E20-F22 VanDerWaalsContact O-N 3.13Å
23I32.7Very low32.4Very low176 Ų176136.6 Ų136.690%0.90374%0.742SS**SBendtrans96.579.6-169.2-48.6155.3000113
24S34.3Very low32.5Very low84 Ų84133.9 Ų133.959%0.58773%0.729SS**SBendtrans-167.2-2.7136.2-158.10000114.5S26S24-S26 VanDerWaalsContact C-N 3.31Å; S24-S26 PolarHBondContact O-N 3.27Å
25F31.9Very low32.7Very low187 Ų187129.1 Ų129.182%0.8271%0.709SS**Hα-helixtrans-72.3-22.9175.6-89.7-85.1000114.2
26S33.6Very low33.1Very low101 Ų101127.8 Ų127.871%0.70670%0.702SS**Hα-helixtrans-75.5-28.7179.2153.90000113.5S24 T30S24-S26 VanDerWaalsContact C-N 3.31Å; S24-S26 PolarHBondContact O-N 3.27Å; S26-T30 PolarHBondContact O-OG1 3.39Å
27G35.1Very low33.5Very low47 Ų47131.9 Ų131.949%0.48570%0.7SS.*Hα-helixtrans-76.7-30.5179.400000113.5F31G27-F31 PolarHBondContact O-N 3.01Å
28F40.1Very low33.5Very low144 Ų144129.5 Ų129.563%0.63269%0.693SS**Hα-helixtrans-74.3-38-177.7-117.1-90.1000113T30 F31 C32F28-T30 VanDerWaalsContact C-N 3.32Å; F28-T30 PolarHBondContact O-N 3.26Å; F28-F31 PolarHBondContact O-N 3.35Å; F28-C32 PolarHBondContact O-N 3.18Å
29Y31.8Very low33.9Very low191 Ų191124.1 Ų124.175%0.74969%0.688SS**Hα-helixtrans-62.6-40.1177.4-110.9-87.7000112F31 A33Y29-F31 VanDerWaalsContact C-N 3.34Å; Y29-F31 PolarHBondContact O-N 3.47Å; Y29-A33 VanDerWaalsContact O-CB 3.24Å; Y29-A33 WeakPolarHBondContact O-CB 3.33Å; Y29-A33 PolarHBondContact O-N 3.27Å
30T33.2Very low34.1Very low85 Ų85124.7 Ų124.752%0.52168%0.679SS.*Hα-helixtrans-70-31.8179.5-43.70000112S26 F28 N34S26-T30 PolarHBondContact O-OG1 3.39Å; F28-T30 VanDerWaalsContact C-N 3.32Å; F28-T30 PolarHBondContact O-N 3.26Å; T30-N34 PolarHBondContact O-N 3.46Å; T30-N34 PolarHBondContact O-ND2 3.44Å
31F34.6Very low34.6Very low158 Ų158127.8 Ų127.869%0.69368%0.683SS**Hα-helixtrans-76.8-41.2177.8-160.7-96.9000112.4G27 F28 Y29 S35G27-F31 PolarHBondContact O-N 3.01Å; F28-F31 PolarHBondContact O-N 3.35Å; Y29-F31 VanDerWaalsContact C-N 3.34Å; Y29-F31 PolarHBondContact O-N 3.47Å; F31-S35 PolarHBondContact O-N 2.93Å
32C36.8Very low34.8Very low63 Ų63128 Ų12843%0.42668%0.681SS.*Hα-helixtrans-68.5-36.5174.9-76.10000112.6F28 S35 L36F28-C32 PolarHBondContact O-N 3.18Å; C32-S35 PolarHBondContact O-N 3.39Å; C32-L36 PolarHBondContact O-N 3.3Å; C32-L36 VanDerWaalsContact O-N 3.16Å
33A36.8Very low35.1Very low56 Ų56129 Ų12946%0.46369%0.685SS.*Hα-helixtrans-64.6-40.9176.800000112.4Y29 S35 L36Y29-A33 VanDerWaalsContact O-CB 3.24Å; Y29-A33 WeakPolarHBondContact O-CB 3.33Å; Y29-A33 PolarHBondContact O-N 3.27Å; A33-S35 VanDerWaalsContact C-N 3.31Å; A33-S35 PolarHBondContact O-N 3.09Å; A33-L36 PolarHBondContact O-N 3.28Å
34N32Very low35.2Very low109 Ų109126.2 Ų126.258%0.58368%0.68SS**Hα-helixtrans-72-23.2177.2-79.1-20.3000113.4T30T30-N34 PolarHBondContact O-N 3.46Å; T30-N34 PolarHBondContact O-ND2 3.44Å
35S33.9Very low35.4Very low63 Ų63126 Ų12644%0.44168%0.679SS.*Hα-helixtrans-82.3-28176.9-167.90000112.9F31 C32 A33 Q37 N38F31-S35 PolarHBondContact O-N 2.93Å; C32-S35 PolarHBondContact O-N 3.39Å; A33-S35 VanDerWaalsContact C-N 3.31Å; A33-S35 PolarHBondContact O-N 3.09Å; S35-Q37 PolarHBondContact O-N 3.03Å; S35-N38 PolarHBondContact O-N 2.97Å
36L35.8Very low35.7Very low151 Ų151122.4 Ų122.479%0.79167%0.672SS**Hα-helixtrans-68.7-19.6174.8-86.5157.1000113.7C32 A33 N38C32-L36 PolarHBondContact O-N 3.3Å; C32-L36 VanDerWaalsContact O-N 3.16Å; A33-L36 PolarHBondContact O-N 3.28Å; L36-N38 VanDerWaalsContact C-N 3.35Å
37Q36.7Very low35.9Very low164 Ų164125.4 Ų125.477%0.76668%0.675SS**THydrogen-bonded Turntrans-83.5-9.6179.1-137.1162.41700113.8S35S35-Q37 PolarHBondContact O-N 3.03Å
38N34.2Very low36Very low140 Ų140130 Ų13075%0.74968%0.682SS**THydrogen-bonded Turntrans-123.633-175.4-107-2.9000114.1S35 L36 S40S35-N38 PolarHBondContact O-N 2.97Å; L36-N38 VanDerWaalsContact C-N 3.35Å; N38-S40 VanDerWaalsContact C-N 3.29Å; N38-S40 PolarHBondContact O-N 3.48Å
39G38.7Very low35.7Very low80 Ų80131.9 Ų131.983%0.82569%0.686SS**THydrogen-bonded Turntrans56.925.8151.500000118.2
40S32.9Very low35.9Very low88 Ų88126.4 Ų126.462%0.61568%0.675SS**  trans-111.288.6177.149.80000111.8N38 E42N38-S40 VanDerWaalsContact C-N 3.29Å; N38-S40 PolarHBondContact O-N 3.48Å; S40-E42 PolarHBondContact O-N 3.28Å
41R38.8Very low36.2Very low244 Ų244125.1 Ų125.192%0.92167%0.673SS**THydrogen-bonded Turntrans-73.5100.8160-85.4180171.1178-2.6107.7
42E37.7Very low36.6Very low178 Ų178122.8 Ų122.883%0.83267%0.667SS**THydrogen-bonded Turntrans179.15.6148.5-105171.1-166.300117.3S40S40-E42 PolarHBondContact O-N 3.28Å
43F35.2Very low36.6Very low200 Ų200127.1 Ų127.188%0.87769%0.685SS**SBendtrans-114.839.5-171-109.2-88.6000116.5
44C34.6Very low36.5Very low117 Ų117128.8 Ų128.879%0.79169%0.693SS**SBendtrans-131.721.8-178.9-120.10000116
45S39.4Very low36.6Very low81 Ų81126.4 Ų126.457%0.56669%0.689SS**SBendtrans-105.3-22.5-177.863.30000115.4Y49S45-Y49 WeakPolarHBondContact O-CD2 3.45Å
46T37.7Very low36.7Very low111 Ų111128.4 Ų128.468%0.68170%0.7SS**Hα-helixtrans-93.8-26.9-169.98.90000115.3
47E37.3Very low36.8Very low163 Ų163126.9 Ų126.976%0.76270%0.699SS**Hα-helixtrans-84.1-13.7174.8-65.8-155.516400113.4S50 A51E47-S50 PolarHBondContact O-OG 3.5Å; E47-A51 PolarHBondContact O-N 2.92Å
48F38.7Very low37.1Very low144 Ų144124.3 Ų124.363%0.63270%0.699SS**Hα-helixtrans-71.1-34.2175.4-147-97.4000111.8I52F48-I52 HydrophobicContact CD1-CD1 3.76Å; F48-I52 HydrophobicContact CE1-CD1 3.84Å; F48-I52 WeakPolarHBondContact O-CG1 3.42Å; F48-I52 PolarHBondContact O-N 3.41Å
49Y33.2Very low37.2Very low184 Ų184123 Ų12372%0.72270%0.697SS**Hα-helixtrans-76.4-26.6-179.6-87-84.9000113.9S45S45-Y49 WeakPolarHBondContact O-CD2 3.45Å
50S36.2Very low37.2Very low75 Ų75127.4 Ų127.452%0.52470%0.7SS.*Hα-helixtrans-83-29.8177.660.80000112.9E47 L53 S54E47-S50 PolarHBondContact O-OG 3.5Å; S50-L53 PolarHBondContact O-N 2.92Å; S50-S54 PolarHBondContact O-N 2.91Å; S50-S54 PolarHBondContact O-OG 3.37Å
51A39.2Very low37.4Very low58 Ų58129 Ų12948%0.47971%0.706SS.*Hα-helixtrans-72.1-31.5175.800000113.1E47 L53 S54 A55E47-A51 PolarHBondContact O-N 2.92Å; A51-L53 VanDerWaalsContact C-N 3.32Å; A51-S54 PolarHBondContact O-OG 3.2Å; A51-A55 PolarHBondContact O-N 3.3Å
52I42Very low38Very low110 Ų110121.5 Ų121.556%0.56469%0.692SS**Hα-helixtrans-71.8-28.3175.9-65.5171.6000111.4F48F48-I52 HydrophobicContact CD1-CD1 3.76Å; F48-I52 HydrophobicContact CE1-CD1 3.84Å; F48-I52 WeakPolarHBondContact O-CG1 3.42Å; F48-I52 PolarHBondContact O-N 3.41Å
53L38.3Very low39.1Very low154 Ų154115 Ų11581%0.80667%0.666SS**Hα-helixtrans-85.5-14.7179.4-112.983.4000114.7S50 A51S50-L53 PolarHBondContact O-N 2.92Å; A51-L53 VanDerWaalsContact C-N 3.32Å
54S35.1Very low40.4Very low90 Ų90107.6 Ų107.663%0.62964%0.637SS**Hα-helixtrans-105.2-4.7179.363.60000113.6S50 A51 P56S50-S54 PolarHBondContact O-N 2.91Å; S50-S54 PolarHBondContact O-OG 3.37Å; A51-S54 PolarHBondContact O-OG 3.2Å; S54-P56 WeakPolarHBondContact O-CD 3.39Å
55A33.2Very low42Very low60 Ų60102.1 Ų102.150%0.49660%0.6SS.*SBendtrans-61.4122163.500000107.7A51A51-A55 PolarHBondContact O-N 3.3Å
56P35.5Very low43.8Very low105 Ų105101.5 Ų101.568%0.68259%0.588SS**PPolyproline II helixtrans-54.1141.4167.923.1-30.2000107.2S54 S58S54-P56 WeakPolarHBondContact O-CD 3.39Å; P56-S58 PolarHBondContact O-N 2.91Å
57P38.7Very low45.8Very low118 Ų11896.5 Ų96.577%0.76656%0.558SS**PPolyproline II helixtrans-47.9123.1172.820.7-30.8000106V59P57-V59 PolarHBondContact O-N 3.42Å
58S43.5Very low47.6Very low110 Ų11096.9 Ų96.977%0.76956%0.557SS**  trans-41.6113.8176.439.10000106.2P56 L60P56-S58 PolarHBondContact O-N 2.91Å; S58-L60 PolarHBondContact O-N 3.28Å
59V36Very low49.5Very low114 Ų11492.3 Ų92.369%0.69154%0.543SS*.  trans-47115.2172.2172.40000103.6P57 T61P57-V59 PolarHBondContact O-N 3.42Å; V59-T61 PolarHBondContact O-N 2.89Å; V59-T61 PolarHBondContact O-OG1 3.49Å
60L37.8Very low51.8Low171 Ų17185.3 Ų85.390%0.89552%0.52SS*.  trans-54.788163.5-87.7156.4000103.8S58 S62S58-L60 PolarHBondContact O-N 3.28Å; L60-S62 VanDerWaalsContact C-N 3.26Å; L60-S62 PolarHBondContact O-N 3.24Å
61T38.3Very low54.2Low122 Ų12288 Ų8875%0.74852%0.523SS*.  trans-74.4100.3179.6-12.30000100.7V59 S63V59-T61 PolarHBondContact O-N 2.89Å; V59-T61 PolarHBondContact O-OG1 3.49Å; T61-S63 PolarHBondContact O-N 3.45Å
62S51.3Low56.6Low87 Ų8787.7 Ų87.761%0.60851%0.513SS*.  trans-47.8121.1171.752.90000106.3L60 P64L60-S62 VanDerWaalsContact C-N 3.26Å; L60-S62 PolarHBondContact O-N 3.24Å; S62-P64 VanDerWaalsContact O-N 3.12Å
63S59.1Low59Low42 Ų4285.7 Ų85.729%0.29451%0.509SS..  trans-49.6124.9177-178.30000107.3T61 V65 H66T61-S63 PolarHBondContact O-N 3.45Å; S63-V65 PolarHBondContact O-N 2.96Å; S63-V65 PolarHBondContact OG-O 3.18Å; S63-H66 PolarHBondContact O-CE1 2.8Å; S63-H66 PolarHBondContact O-ND1 2.75Å; S63-H66 PolarHBondContact O-NE2 3.11Å; S63-H66 VanDerWaalsContact O-NE2 3.16Å
64P62.8Low61.6Low43 Ų4378.7 Ų78.728%0.27947%0.473SS..SBendtrans-68.3-0.3-17631.3-38.1000112S62 Y86 E87 F158S62-P64 VanDerWaalsContact O-N 3.12Å; P64-Y86 HydrophobicContact CB-CE2 4.36Å; P64-Y86 CarbonylContact O-C 3.5Å; P64-Y86 WeakPolarHBondContact O-CA 3.24Å; P64-Y86 WeakPolarHBondContact O-CD2 3.3Å; P64-E87 PolarHBondContact O-N 2.95Å; P64-F158 HydrophobicContact CB-CZ 4.43Å; P64-F158 HydrophobicContact CG-CD2 4.31Å; P64-F158 HydrophobicContact CG-CE1 3.62Å; P64-F158 HydrophobicContact CG-CE2 3.44Å; P64-F158 VanDerWaalsContact CG-CE2 3.44Å; P64-F158 HydrophobicContact CG-CZ 3.04Å
65V69.4Low64.3Low2 Ų277.8 Ų77.81%0.01247%0.465CS..EExtended strand (participates in β ladder)trans-109.9127.8165.1167.70000111.1S63 C84 S85 Y86 C156 F158S63-V65 PolarHBondContact O-N 2.96Å; S63-V65 PolarHBondContact OG-O 3.18Å; V65-C84 WeakPolarHBondContact CG1-SG 3.28Å; V65-S85 WeakPolarHBondContact CA-O 3.35Å; V65-Y86 HydrophobicContact CG2-CD2 3.66Å; V65-Y86 HydrophobicContact CG2-CG 4.39Å; V65-C156 HydrophobicContact CG1-CB 4.17Å; V65-F158 HydrophobicContact CB-CD1 3.45Å; V65-F158 VanDerWaalsContact CB-CD1 3.45Å; V65-F158 HydrophobicContact CB-CE1 3.81Å; V65-F158 HydrophobicContact CB-CG 4.41Å; V65-F158 HydrophobicContact CG2-CB 3.68Å; V65-F158 HydrophobicContact CG2-CD1 3.04Å; V65-F158 HydrophobicContact CG2-CE1 3.79Å; V65-F158 HydrophobicContact CG2-CG 3.54Å
66H76.8Confident67.2Low68 Ų6878 Ų7832%0.31546%0.46SS..EExtended strand (participates in β ladder)trans-119.3106.1176.9-55.6-68.4000110.1S63 C84 S85S63-H66 PolarHBondContact O-CE1 2.8Å; S63-H66 PolarHBondContact O-ND1 2.75Å; S63-H66 PolarHBondContact O-NE2 3.11Å; S63-H66 VanDerWaalsContact O-NE2 3.16Å; H66-C84 WeakPolarHBondContact O-CA 3.07Å; H66-S85 PolarHBondContact N-O 3.45Å; H66-S85 PolarHBondContact O-N 2.9Å; H66-S85 PolarHBondContact O-OG 3.41Å
67L78.9Confident70Confident7 Ų775 Ų754%0.03745%0.448CS..  trans-113.1114152168.769.8000104.7S69 R83 C84 W96 Y154 C156 A170L67-S69 PolarHBondContact O-N 2.91Å; L67-R83 WeakPolarHBondContact CD1-O 3.44Å; L67-C84 HydrophobicContact CB-CB 4.43Å; L67-W96 HydrophobicContact CD1-CH2 4.5Å; L67-W96 HydrophobicContact CD2-CH2 4.32Å; L67-W96 HydrophobicContact CD2-CZ3 4.12Å; L67-Y154 WeakPolarHBondContact CD2-O 3.44Å; L67-C156 HydrophobicContact CB-CB 4.37Å; L67-C156 HydrophobicContact CD2-CB 4.46Å; L67-A170 HydrophobicContact CD1-CB 4.31Å; L67-A170 HydrophobicContact CD2-CB 4.08Å; L67-A170 HydrophobicContact CG-CB 4.34Å
68K74.9Confident72.7Confident170 Ų17070.4 Ų70.474%0.73942%0.422SS*.  trans-63.2129.2-177.3-177.4175.7-180176.70109.7S70K68-S70 PolarHBondContact O-N 3.26Å; K68-S70 VanDerWaalsContact O-N 3.08Å; K68-S70 PolarHBondContact O-OG 2.88Å
69S78.6Confident75.2Confident48 Ų4871 Ų7134%0.33641%0.413SS..  trans-50.1119.2170.1-172.10000110.1L67 E168 G169L67-S69 PolarHBondContact O-N 2.91Å; S69-E168 WeakPolarHBondContact CB-OE2 3.16Å; S69-E168 PolarHBondContact N-OE2 3.06Å; S69-G169 WeakPolarHBondContact CA-O 3.07Å
70S82.7Confident78.1Confident37 Ų3766 Ų6626%0.25938%0.383SS..EExtended strand (participates in β ladder)trans-147.6145.9-176.2510000111.1K68 A170 T171K68-S70 PolarHBondContact O-N 3.26Å; K68-S70 VanDerWaalsContact O-N 3.08Å; K68-S70 PolarHBondContact O-OG 2.88Å; S70-A170 WeakPolarHBondContact OG-CB 3.38Å; S70-T171 PolarHBondContact O-N 3.08Å
71F85.7Confident80.8Confident132 Ų13260.3 Ų60.358%0.57936%0.355SS*.EExtended strand (participates in β ladder)trans-110.1113170.4-78.4-88.7000107.8T171 F280F71-T171 WeakPolarHBondContact CA-O 3.5Å; F71-T171 HydrophobicContact CD1-CG2 4Å; F71-T171 HydrophobicContact CE1-CG2 3.89Å; F71-F280 HydrophobicContact CE1-CE1 4.46Å; F71-F280 HydrophobicContact CE1-CZ 4.16Å
72I90.9Very high83.5Confident51 Ų5154.7 Ų54.726%0.26232%0.32SS..EExtended strand (participates in β ladder)trans-113.3123.9-176.3-55.8172.3000108.2V80 L82 T171 V172 I173I72-V80 HydrophobicContact CD1-CG2 4.05Å; I72-V80 HydrophobicContact CG2-CG2 3.85Å; I72-L82 HydrophobicContact CD1-CD2 3.61Å; I72-T171 PolarHBondContact N-O 3.24Å; I72-V172 HydrophobicContact CB-CG2 4.48Å; I72-V172 CarbonylContact O-C 3.58Å; I72-V172 WeakPolarHBondContact O-CA 3.34Å; I72-I173 PolarHBondContact O-N 2.93Å
73S91Very high85.5Confident69 Ų6959.2 Ų59.248%0.48332%0.324SS..EExtended strand (participates in β ladder)trans-103.4128.2172-175.60000108.5I173 K175S73-I173 WeakPolarHBondContact CA-O 3.39Å; S73-K175 VanDerWaalsContact OG-CD 3.25Å; S73-K175 WeakPolarHBondContact OG-CD 3.49Å; S73-K175 WeakPolarHBondContact OG-CE 3.12Å; S73-K175 PolarHBondContact OG-NZ 2.85Å
74A92.6Very high87.1Confident7 Ų757.2 Ų57.26%0.05831%0.31CS..EExtended strand (participates in β ladder)trans-136.7148.717900000111.2L146 I173 I174 K175A74-L146 HydrophobicContact CB-CD1 3.56Å; A74-I173 PolarHBondContact N-O 3.17Å; A74-I174 HydrophobicContact CB-CD1 4.16Å; A74-I174 CarbonylContact O-C 3.58Å; A74-I174 VanDerWaalsContact O-CA 3.27Å; A74-I174 WeakPolarHBondContact O-CA 3.48Å; A74-K175 PolarHBondContact O-N 2.88Å
75P93.1Very high88.3Confident70 Ų7056.7 Ų56.746%0.45531%0.307SS..EExtended strand (participates in β ladder)trans-76.4158.1176.331.6-34.4000112.2G78 K175P75-G78 PolarHBondContact O-N 3.39Å; P75-G78 VanDerWaalsContact O-N 3.16Å; P75-K175 CarbonylContact C-O 3.53Å; P75-K175 VanDerWaalsContact CA-O 3.24Å; P75-K175 WeakPolarHBondContact CA-O 3.39Å
76V93Very high88.9Confident64 Ų6457.1 Ų57.139%0.38831%0.309SS..THydrogen-bonded Turntrans-54142.8166.7178.30000110.5G78 M148 I174 K175 D176V76-G78 PolarHBondContact O-N 3.13Å; V76-G78 VanDerWaalsContact O-N 3.07Å; V76-M148 HydrophobicContact CG2-CE 3.08Å; V76-I174 HydrophobicContact CG2-CG2 3.95Å; V76-K175 PolarHBondContact N-O 2.79Å; V76-D176 HydrophobicContact CG2-CB 3.99Å
77G94.6Very high89.1Confident43 Ų4359.6 Ų59.644%0.44332%0.321SS..THydrogen-bonded Turntrans73.5-9.9-178.400000114.2L146G77-L146 PolarHBondContact N-O 3.3Å
78G95.5Very high88.8Confident21 Ų2160.1 Ų60.122%0.21633%0.328CS..  trans-71.2-165.9176.200000113.6P75 V76 N145 L146P75-G78 PolarHBondContact O-N 3.39Å; P75-G78 VanDerWaalsContact O-N 3.16Å; V76-G78 PolarHBondContact O-N 3.13Å; V76-G78 VanDerWaalsContact O-N 3.07Å; G78-N145 PolarHBondContact O-N 3.35Å; G78-L146 VanDerWaalsContact O-CG 3.31Å; G78-L146 WeakPolarHBondContact O-CG 3.43Å; G78-L146 PolarHBondContact O-N 3.01Å
79E96.8Very high88.6Confident122 Ų12258 Ų5857%0.5733%0.325SS*.  trans-137145.2178.7-177.7178.796.100110.9I142 I143E79-I142 HydrophobicContact CG-CG2 3.71Å; E79-I143 WeakPolarHBondContact CA-O 3.45Å
80V96Very high88.5Confident10 Ų1059.5 Ų59.56%0.06133%0.326CS..EExtended strand (participates in β ladder)trans-128.2143.217170.70000110.5I72 L82 I142 I143 L146 V172I72-V80 HydrophobicContact CD1-CG2 4.05Å; I72-V80 HydrophobicContact CG2-CG2 3.85Å; V80-L82 HydrophobicContact CG2-CD2 4.15Å; V80-I142 WeakPolarHBondContact O-CA 3.41Å; V80-I143 HydrophobicContact CG1-CB 3.97Å; V80-I143 HydrophobicContact CG1-CD1 4.2Å; V80-I143 HydrophobicContact CG1-CG1 4.25Å; V80-I143 PolarHBondContact N-O 3.23Å; V80-I143 PolarHBondContact O-N 3.48Å; V80-L146 HydrophobicContact CB-CD1 4.27Å; V80-L146 HydrophobicContact CG1-CD1 4.41Å; V80-L146 HydrophobicContact CG1-CD2 4.04Å; V80-V172 HydrophobicContact CG1-CG1 4.33Å; V80-V172 HydrophobicContact CG2-CG2 4.4Å
81T95.6Very high88.5Confident52 Ų5260.9 Ų60.932%0.31934%0.336SS..EExtended strand (participates in β ladder)trans-119.3118172.5-62.50000109.7R83 N140 L141 I142T81-R83 HydrophobicContact CG2-CG 4.18Å; T81-N140 HydrophobicContact CG2-CB 4.13Å; T81-L141 WeakPolarHBondContact CA-O 3.4Å; T81-I142 HydrophobicContact CG2-CG1 4.07Å
82L95.1Very high88.6Confident3 Ų354.6 Ų54.62%0.01631%0.308CS..EExtended strand (participates in β ladder)trans-101.4123176.2-57.9177.8000109.4I72 V80 W96 N140 L141 Y154 A170 V172I72-L82 HydrophobicContact CD1-CD2 3.61Å; V80-L82 HydrophobicContact CG2-CD2 4.15Å; L82-W96 HydrophobicContact CB-CH2 3.74Å; L82-W96 HydrophobicContact CB-CZ3 3.93Å; L82-W96 HydrophobicContact CD1-CZ3 4.24Å; L82-N140 CarbonylContact O-C 3.45Å; L82-N140 VanDerWaalsContact O-CA 3.27Å; L82-N140 WeakPolarHBondContact O-CA 3.22Å; L82-L141 HydrophobicContact CB-CB 4.41Å; L82-L141 HydrophobicContact CD1-CD2 4.48Å; L82-L141 PolarHBondContact N-O 3.38Å; L82-L141 PolarHBondContact O-N 3.11Å; L82-Y154 HydrophobicContact CD1-CD1 4.03Å; L82-Y154 HydrophobicContact CD1-CD2 3.9Å; L82-Y154 HydrophobicContact CD1-CG 3.49Å; L82-Y154 VanDerWaalsContact CD1-CG 3.49Å; L82-A170 HydrophobicContact CD2-CB 3.85Å; L82-V172 HydrophobicContact CD1-CG2 4.29Å; L82-V172 HydrophobicContact CD2-CG2 3.93Å
83R92.8Very high88.5Confident182 Ų18257.3 Ų57.369%0.68732%0.315SS*.EExtended strand (participates in β ladder)trans-107.8121.6-174.2-55.9-171.4179.91620.4110.9L67 T81 N140L67-R83 WeakPolarHBondContact CD1-O 3.44Å; T81-R83 HydrophobicContact CG2-CG 4.18Å; R83-N140 WeakPolarHBondContact CB-OD1 3.47Å; R83-N140 WeakPolarHBondContact CG-OD1 3.44Å
84C91.6Very high88.6Confident1 Ų154.1 Ų54.11%0.00729%0.293CS..EExtended strand (participates in β ladder)trans-116.7127.7175174.70000109.6V65 H66 L67 W96 T138 T139 C156V65-C84 WeakPolarHBondContact CG1-SG 3.28Å; H66-C84 WeakPolarHBondContact O-CA 3.07Å; L67-C84 HydrophobicContact CB-CB 4.43Å; C84-W96 HydrophobicContact CB-CH2 3.83Å; C84-W96 HydrophobicContact CB-CZ2 3.44Å; C84-W96 VanDerWaalsContact CB-CZ2 3.44Å; C84-T138 CarbonylContact O-C 3.57Å; C84-T138 WeakPolarHBondContact O-CA 3.33Å; C84-T139 PolarHBondContact N-O 2.99Å; C84-T139 PolarHBondContact O-N 3.5Å; C84-C156 HydrophobicContact CB-CB 3.49Å; C84-C156 VanDerWaalsContact CB-CB 3.49Å; C84-C156 WeakPolarHBondContact CB-SG 3.25Å; C84-C156 WeakPolarHBondContact SG-CB 3.12Å; C84-C156 CovalentContact SG-SG 2.03Å; C84-C156 PolarHBondContact SG-SG 2.75Å
85S88.2Confident88.6Confident31 Ų3154.3 Ų54.322%0.21729%0.293CS..EExtended strand (participates in β ladder)trans-104.8144.1170.756.10000111.2V65 H66 R137V65-S85 WeakPolarHBondContact CA-O 3.35Å; H66-S85 PolarHBondContact N-O 3.45Å; H66-S85 PolarHBondContact O-N 2.9Å; H66-S85 PolarHBondContact O-OG 3.41Å; S85-R137 WeakPolarHBondContact CA-O 3.43Å
86Y83.4Confident88.8Confident12 Ų1251 Ų515%0.04727%0.272CS..EExtended strand (participates in β ladder)trans-119.2116.8172.6172.6-115.4000109.3P64 V65 G88 E90 I94 V113 R137 F158P64-Y86 HydrophobicContact CB-CE2 4.36Å; P64-Y86 CarbonylContact O-C 3.5Å; P64-Y86 WeakPolarHBondContact O-CA 3.24Å; P64-Y86 WeakPolarHBondContact O-CD2 3.3Å; V65-Y86 HydrophobicContact CG2-CD2 3.66Å; V65-Y86 HydrophobicContact CG2-CG 4.39Å; Y86-G88 WeakPolarHBondContact CE1-O 3.36Å; Y86-G88 VanDerWaalsContact CZ-CA 3.44Å; Y86-G88 WeakPolarHBondContact OH-CA 3.32Å; Y86-E90 WeakPolarHBondContact OH-CB 3.36Å; Y86-E90 PolarHBondContact OH-N 3.47Å; Y86-E90 PolarHBondContact OH-O 3.03Å; Y86-I94 HydrophobicContact CD1-CD1 4.5Å; Y86-I94 HydrophobicContact CD2-CD1 4.31Å; Y86-I94 HydrophobicContact CG-CD1 4.09Å; Y86-V113 HydrophobicContact CD1-CG2 4.39Å; Y86-V113 HydrophobicContact CE1-CG2 4.36Å; Y86-R137 PolarHBondContact N-O 3.17Å; Y86-R137 WeakPolarHBondContact O-CB 3.43Å; Y86-F158 HydrophobicContact CE2-CD2 4.11Å; Y86-F158 HydrophobicContact CE2-CG 4.34Å
87E79.1Confident88.9Confident120 Ų12050.1 Ų50.156%0.56126%0.262SS*.  trans-1020.8-175.8-68.2-173.5-173.700113.6P64 R137P64-E87 PolarHBondContact O-N 2.95Å; E87-R137 PolarHBondContact O-NH1 2.94Å; E87-R137 VanDerWaalsContact O-NH1 3.1Å
88G73.7Confident88.9Confident18 Ų1848.6 Ų48.619%0.18624%0.243CC..  trans-76.5158.1175.600000113.6Y86Y86-G88 WeakPolarHBondContact CE1-O 3.36Å; Y86-G88 VanDerWaalsContact CZ-CA 3.44Å; Y86-G88 WeakPolarHBondContact OH-CA 3.32Å
89D70.9Confident88.8Confident125 Ų12550.3 Ų50.367%0.66825%0.245SC*.  trans-100.58.6173.8-66-29.5000112R137D89-R137 IonicContact OD1-CZ 3.39Å; D89-R137 IonicContact OD1-NH1 2.68Å; D89-R137 PolarHBondContact OD1-NH1 2.85Å; D89-R137 IonicContact OD1-NH2 3.2Å; D89-R137 PolarHBondContact OD1-NH2 3.39Å
90E76.4Confident88.5Confident79 Ų7946.3 Ų46.337%0.36923%0.229SC..SBendtrans-86.1150.3-172.8-57.1175.5155.100112.3Y86 A92 Y160Y86-E90 WeakPolarHBondContact OH-CB 3.36Å; Y86-E90 PolarHBondContact OH-N 3.47Å; Y86-E90 PolarHBondContact OH-O 3.03Å; E90-A92 VanDerWaalsContact C-N 3.33Å; E90-A92 PolarHBondContact O-N 3.49Å; E90-Y160 HydrophobicContact CB-CD2 3.67Å; E90-Y160 HydrophobicContact CB-CE2 3.82Å; E90-Y160 HydrophobicContact CB-CG 4.03Å; E90-Y160 VanDerWaalsContact CD-CD1 3.42Å; E90-Y160 VanDerWaalsContact CD-CE1 3.47Å; E90-Y160 HydrophobicContact CG-CD1 4.44Å; E90-Y160 HydrophobicContact CG-CD2 4.34Å; E90-Y160 HydrophobicContact CG-CE1 4.31Å; E90-Y160 HydrophobicContact CG-CE2 4.23Å; E90-Y160 HydrophobicContact CG-CG 4.42Å; E90-Y160 WeakPolarHBondContact OE1-CE1 3.46Å; E90-Y160 WeakPolarHBondContact OE2-CD1 3.37Å
91S83Confident88.1Confident66 Ų6647.2 Ų47.246%0.46223%0.234SC..  trans-67.787.9169.4-63.90000110.4Y114S91-Y114 WeakPolarHBondContact OG-CE2 3.32Å
92A86.8Confident87.4Confident0 Ų046.9 Ų46.90%024%0.241CC..  trans-113.6156.4-174.200000113.4E90 F112 V113 T159E90-A92 VanDerWaalsContact C-N 3.33Å; E90-A92 PolarHBondContact O-N 3.49Å; A92-F112 WeakPolarHBondContact O-CD2 3.5Å; A92-V113 HydrophobicContact CB-CG2 4.42Å; A92-V113 WeakPolarHBondContact O-CG2 3.46Å; A92-V113 PolarHBondContact O-N 3.43Å; A92-T159 WeakPolarHBondContact CA-O 3.4Å
93W90.3Very high87Confident109 Ų10951.5 Ų51.541%0.41326%0.262SS..EExtended strand (participates in β ladder)trans-91134.8160.1-7684.1000109.3F111 F112 I119 F158 T159W93-F111 WeakPolarHBondContact CA-O 3.24Å; W93-F112 AromaticContact CD1-CD2 3.92Å; W93-F112 HydrophobicContact CD2-CB 4.1Å; W93-F112 HydrophobicContact CD2-CD2 4.36Å; W93-F112 HydrophobicContact CE3-CB 4.23Å; W93-F112 HydrophobicContact CG-CD2 4.28Å; W93-F112 HydrophobicContact CH2-CB 4.12Å; W93-F112 HydrophobicContact CZ2-CB 3.98Å; W93-F112 HydrophobicContact CZ3-CB 4.24Å; W93-F112 AromaticContact NE1-CD2 3.77Å; W93-I119 HydrophobicContact CZ3-CD1 4.47Å; W93-F158 CarbonylContact O-C 3.53Å; W93-F158 WeakPolarHBondContact O-CA 3.27Å; W93-T159 PolarHBondContact N-O 2.97Å; W93-T159 PolarHBondContact O-N 3.33Å
94I91.6Very high86.8Confident2 Ų249.5 Ų49.51%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-105.4130.6170.6-52.3-60000108.3Y86 S110 F111 V113 T139 A157 F158Y86-I94 HydrophobicContact CD1-CD1 4.5Å; Y86-I94 HydrophobicContact CD2-CD1 4.31Å; Y86-I94 HydrophobicContact CG-CD1 4.09Å; I94-S110 CarbonylContact O-C 3.57Å; I94-S110 VanDerWaalsContact O-CA 3.23Å; I94-S110 WeakPolarHBondContact O-CA 3.38Å; I94-F111 HydrophobicContact CB-CD1 4.3Å; I94-F111 HydrophobicContact CB-CE1 3.72Å; I94-F111 HydrophobicContact CB-CE2 3.99Å; I94-F111 HydrophobicContact CB-CZ 3.56Å; I94-F111 HydrophobicContact CG1-CE2 3.97Å; I94-F111 HydrophobicContact CG1-CZ 3.86Å; I94-F111 HydrophobicContact CG2-CE1 3.89Å; I94-F111 HydrophobicContact CG2-CZ 3.89Å; I94-F111 PolarHBondContact N-O 3.39Å; I94-F111 PolarHBondContact O-N 3.5Å; I94-V113 HydrophobicContact CD1-CG2 4.34Å; I94-V113 HydrophobicContact CG1-CG2 3.97Å; I94-T139 HydrophobicContact CG2-CG2 4.29Å; I94-A157 WeakPolarHBondContact CA-O 3.3Å; I94-F158 HydrophobicContact CD1-CB 3.64Å
95C93.5Very high86.8Confident10 Ų1052.3 Ų52.37%0.06828%0.283CS..EExtended strand (participates in β ladder)trans-125137.1-177.1-62.80000110.4Y97 L107 S109 C156 A157C95-Y97 HydrophobicContact CB-CD2 4.19Å; C95-Y97 HydrophobicContact CB-CE2 3.43Å; C95-Y97 VanDerWaalsContact CB-CE2 3.43Å; C95-L107 HydrophobicContact CB-CD1 3.78Å; C95-S109 CarbonylContact C-O 3.49Å; C95-S109 WeakPolarHBondContact CA-O 3.35Å; C95-C156 CarbonylContact O-C 3.6Å; C95-C156 WeakPolarHBondContact O-CA 3.4Å; C95-A157 PolarHBondContact N-O 3.47Å; C95-A157 PolarHBondContact O-N 3.24Å
96W95.9Very high87.2Confident0 Ų055 Ų550%029%0.291CS..EExtended strand (participates in β ladder)trans-106.1129.8170.2-82.494.2000110.1L67 L82 C84 I108 S109 T139 L141 Y155 C156L67-W96 HydrophobicContact CD1-CH2 4.5Å; L67-W96 HydrophobicContact CD2-CH2 4.32Å; L67-W96 HydrophobicContact CD2-CZ3 4.12Å; L82-W96 HydrophobicContact CB-CH2 3.74Å; L82-W96 HydrophobicContact CB-CZ3 3.93Å; L82-W96 HydrophobicContact CD1-CZ3 4.24Å; C84-W96 HydrophobicContact CB-CH2 3.83Å; C84-W96 HydrophobicContact CB-CZ2 3.44Å; C84-W96 VanDerWaalsContact CB-CZ2 3.44Å; W96-I108 HydrophobicContact CB-CB 4.21Å; W96-I108 HydrophobicContact CB-CD1 4.41Å; W96-I108 WeakPolarHBondContact O-CB 3.42Å; W96-I108 PolarHBondContact O-N 3.37Å; W96-S109 PolarHBondContact N-O 3.37Å; W96-S109 PolarHBondContact O-N 2.96Å; W96-T139 PolarHBondContact NE1-OG1 3.43Å; W96-L141 HydrophobicContact CB-CD2 4.47Å; W96-L141 HydrophobicContact CD2-CB 3.89Å; W96-L141 HydrophobicContact CD2-CD2 3.99Å; W96-L141 HydrophobicContact CE3-CB 4.02Å; W96-L141 HydrophobicContact CE3-CD2 3.67Å; W96-L141 HydrophobicContact CE3-CG 4.49Å; W96-L141 HydrophobicContact CG-CD2 4.36Å; W96-L141 HydrophobicContact CH2-CB 4.03Å; W96-L141 HydrophobicContact CZ2-CB 3.91Å; W96-L141 HydrophobicContact CZ3-CB 4.09Å; W96-L141 HydrophobicContact CZ3-CD2 4.2Å; W96-Y155 CarbonylContact C-O 3.52Å; W96-Y155 WeakPolarHBondContact CA-O 3.25Å; W96-C156 HydrophobicContact CD2-CB 4.47Å; W96-C156 HydrophobicContact CE3-CB 4.41Å; W96-C156 HydrophobicContact CH2-CB 4.23Å; W96-C156 HydrophobicContact CZ2-CB 4.26Å; W96-C156 HydrophobicContact CZ3-CB 4.29Å
97Y95.6Very high87.7Confident46 Ų4657 Ų5718%0.1830%0.302CS..EExtended strand (participates in β ladder)trans-119.5143.6178.4-64.9-90.3000111.1C95 P105 K106 L107 Y154 Y155 A157 F166C95-Y97 HydrophobicContact CB-CD2 4.19Å; C95-Y97 HydrophobicContact CB-CE2 3.43Å; C95-Y97 VanDerWaalsContact CB-CE2 3.43Å; Y97-P105 HydrophobicContact CD1-CB 4.21Å; Y97-K106 CarbonylContact C-O 3.51Å; Y97-K106 VanDerWaalsContact CA-O 3.25Å; Y97-K106 WeakPolarHBondContact CA-O 3.28Å; Y97-L107 HydrophobicContact CD1-CB 4.16Å; Y97-L107 HydrophobicContact CD1-CD1 4.13Å; Y97-L107 HydrophobicContact CE1-CB 3.9Å; Y97-L107 HydrophobicContact CE1-CD1 3.67Å; Y97-L107 HydrophobicContact CE1-CG 4.37Å; Y97-L107 HydrophobicContact CE2-CD1 4.16Å; Y97-Y154 CarbonylContact O-C 3.56Å; Y97-Y154 VanDerWaalsContact O-CA 3.29Å; Y97-Y154 WeakPolarHBondContact O-CA 3.48Å; Y97-Y155 PolarHBondContact N-O 2.83Å; Y97-Y155 PolarHBondContact O-N 2.81Å; Y97-A157 HydrophobicContact CD2-CB 4.21Å; Y97-A157 HydrophobicContact CE2-CB 3.89Å; Y97-F166 AromaticContact CD2-CE1 3.8Å; Y97-F166 HydrophobicContact CD2-CE1 3.8Å; Y97-F166 AromaticContact CE2-CE1 3.94Å; Y97-F166 HydrophobicContact CE2-CE1 3.94Å; Y97-F166 HydrophobicContact CE2-CZ 4.3Å; Y97-F166 HydrophobicContact CG-CE1 4.37Å
98K95.4Very high88.6Confident11 Ų1151.2 Ų51.25%0.04828%0.275CS..EExtended strand (participates in β ladder)trans-109.2123.7166.9-178.8-178.7179.1-177.30108.5K106 I108 F124 S149 D150 A152 Y154K98-K106 PolarHBondContact N-O 3.05Å; K98-K106 PolarHBondContact O-N 3.29Å; K98-I108 HydrophobicContact CB-CD1 3.76Å; K98-I108 HydrophobicContact CB-CG1 3.85Å; K98-F124 HydrophobicContact CB-CZ 4.26Å; K98-F124 HydrophobicContact CD-CE1 4.16Å; K98-F124 HydrophobicContact CD-CZ 3.91Å; K98-S149 WeakPolarHBondContact CE-O 3.26Å; K98-S149 PolarHBondContact NZ-O 2.03Å; K98-D150 IonicContact NZ-OD1 3.33Å; K98-A152 HydrophobicContact CD-CB 4.31Å; K98-A152 HydrophobicContact CG-CB 3.64Å; K98-Y154 HydrophobicContact CB-CD1 4.21Å; K98-Y154 HydrophobicContact CB-CE1 3.93Å; K98-Y154 HydrophobicContact CD-CE1 4.1Å; K98-Y154 HydrophobicContact CG-CD1 4.38Å; K98-Y154 HydrophobicContact CG-CE1 3.79Å
99Q93.1Very high89.7Confident57 Ų5750.4 Ų50.427%0.26627%0.267SS..EExtended strand (participates in β ladder)trans-114.3101.3171.4-169176.617.900109.9Q103 P105 A152 T153 Y155Q99-Q103 VanDerWaalsContact CG-O 3.27Å; Q99-Q103 WeakPolarHBondContact CG-O 3.28Å; Q99-Q103 PolarHBondContact NE2-O 3.35Å; Q99-Q103 VanDerWaalsContact NE2-O 3.08Å; Q99-P105 HydrophobicContact CB-CB 4.33Å; Q99-P105 HydrophobicContact CB-CG 4.24Å; Q99-P105 HydrophobicContact CG-CG 4.05Å; Q99-A152 WeakPolarHBondContact O-CB 3.4Å; Q99-T153 PolarHBondContact N-O 2.78Å; Q99-T153 PolarHBondContact O-N 2.84Å; Q99-Y155 HydrophobicContact CB-CD2 4.33Å; Q99-Y155 HydrophobicContact CB-CE2 3.81Å; Q99-Y155 VanDerWaalsContact OE1-CE2 3.28Å; Q99-Y155 PolarHBondContact OE1-OH 2.96Å
100T90.4Very high90.8Very high38 Ų3844.7 Ų44.723%0.23324%0.236CC..  trans-64.8145.7168.4-52.30000109.3G102 Q103T100-G102 PolarHBondContact O-N 3Å; T100-Q103 HydrophobicContact CG2-CG 4.43Å; T100-Q103 PolarHBondContact O-N 3Å
101L86.8Confident91.5Very high30 Ų3041.4 Ų41.416%0.15722%0.221CC..THydrogen-bonded Turntrans-53.7124-177.6-171.664.1000111.8Q103 Y217 F219 V271 I278L101-Q103 PolarHBondContact O-N 3.44Å; L101-Y217 HydrophobicContact CD1-CG 4.42Å; L101-Y217 HydrophobicContact CD2-CD2 3.42Å; L101-Y217 VanDerWaalsContact CD2-CD2 3.42Å; L101-Y217 HydrophobicContact CD2-CE2 3.59Å; L101-Y217 HydrophobicContact CD2-CG 4.05Å; L101-Y217 HydrophobicContact CG-CD1 4.24Å; L101-Y217 HydrophobicContact CG-CD2 3.79Å; L101-Y217 HydrophobicContact CG-CE1 4.29Å; L101-Y217 HydrophobicContact CG-CE2 3.81Å; L101-Y217 HydrophobicContact CG-CG 4.02Å; L101-Y217 PolarHBondContact O-OH 3.1Å; L101-F219 HydrophobicContact CD1-CE2 3.76Å; L101-F219 HydrophobicContact CD1-CZ 3.57Å; L101-V271 HydrophobicContact CD2-CG1 3.73Å; L101-I278 HydrophobicContact CB-CD1 4.14Å; L101-I278 HydrophobicContact CD2-CD1 4.31Å; L101-I278 HydrophobicContact CD2-CG1 4.41Å; L101-I278 HydrophobicContact CD2-CG2 4.06Å
102G81.3Confident91.9Very high45 Ų4541 Ų4146%0.46421%0.211SC..THydrogen-bonded Turntrans75.82.4-179.100000115.7T100T100-G102 PolarHBondContact O-N 3Å
103Q86Confident91.9Very high99 Ų9943.6 Ų43.646%0.46323%0.227SC..SBendtrans-107.9165.1177.3-59.8-169.8-12.400111.3Q99 T100 L101Q99-Q103 VanDerWaalsContact CG-O 3.27Å; Q99-Q103 WeakPolarHBondContact CG-O 3.28Å; Q99-Q103 PolarHBondContact NE2-O 3.35Å; Q99-Q103 VanDerWaalsContact NE2-O 3.08Å; T100-Q103 HydrophobicContact CG2-CG 4.43Å; T100-Q103 PolarHBondContact O-N 3Å; L101-Q103 PolarHBondContact O-N 3.44Å
104N89.6Confident91.7Very high140 Ų14045.7 Ų45.775%0.74924%0.236SC*.PPolyproline II helixtrans-71.8146173-64.7-20.9000110.4K106N104-K106 PolarHBondContact O-N 3.06Å
105P92.4Very high91.5Very high60 Ų6047.5 Ų47.539%0.3925%0.248SC..PPolyproline II helixtrans-57.4130.1172.9-22.132.1000111.5Y97 Q99Y97-P105 HydrophobicContact CD1-CB 4.21Å; Q99-P105 HydrophobicContact CB-CB 4.33Å; Q99-P105 HydrophobicContact CB-CG 4.24Å; Q99-P105 HydrophobicContact CG-CG 4.05Å
106K95.3Very high91Very high89 Ų8952.3 Ų52.339%0.38728%0.28SS..EExtended strand (participates in β ladder)trans-103.1135172.8-62.8-173.8-173.6-177.80109.8Y97 K98 N104 I108 E123 F124Y97-K106 CarbonylContact C-O 3.51Å; Y97-K106 VanDerWaalsContact CA-O 3.25Å; Y97-K106 WeakPolarHBondContact CA-O 3.28Å; K98-K106 PolarHBondContact N-O 3.05Å; K98-K106 PolarHBondContact O-N 3.29Å; N104-K106 PolarHBondContact O-N 3.06Å; K106-I108 PolarHBondContact O-N 3.04Å; K106-E123 WeakPolarHBondContact CD-OE1 3.46Å; K106-E123 IonicContact NZ-OE1 3.07Å; K106-E123 PolarHBondContact NZ-OE1 3.32Å; K106-E123 IonicContact NZ-OE2 2.72Å; K106-F124 HydrophobicContact CB-CE2 4.45Å
107L95.5Very high90.6Very high52 Ų5258.7 Ų58.727%0.27231%0.31SS..EExtended strand (participates in β ladder)trans-70.6124.3174.7-175.366.2000109.6C95 Y97 Y121C95-L107 HydrophobicContact CB-CD1 3.78Å; Y97-L107 HydrophobicContact CD1-CB 4.16Å; Y97-L107 HydrophobicContact CD1-CD1 4.13Å; Y97-L107 HydrophobicContact CE1-CB 3.9Å; Y97-L107 HydrophobicContact CE1-CD1 3.67Å; Y97-L107 HydrophobicContact CE1-CG 4.37Å; Y97-L107 HydrophobicContact CE2-CD1 4.16Å; L107-Y121 HydrophobicContact CD2-CD1 4.46Å; L107-Y121 HydrophobicContact CD2-CD2 3.5Å; L107-Y121 HydrophobicContact CD2-CE1 4.48Å; L107-Y121 HydrophobicContact CD2-CE2 3.53Å; L107-Y121 HydrophobicContact CD2-CG 3.99Å; L107-Y121 HydrophobicContact CG-CD2 3.72Å; L107-Y121 HydrophobicContact CG-CE2 4.1Å; L107-Y121 HydrophobicContact CG-CG 4.37Å
108I97Very high90.5Very high0 Ų058.9 Ų58.90%031%0.313CS..EExtended strand (participates in β ladder)trans-87.3-57.6175.5-55173.8000109.2W96 K98 K106 F120 Y121 F124 F130 L141 Y154W96-I108 HydrophobicContact CB-CB 4.21Å; W96-I108 HydrophobicContact CB-CD1 4.41Å; W96-I108 WeakPolarHBondContact O-CB 3.42Å; W96-I108 PolarHBondContact O-N 3.37Å; K98-I108 HydrophobicContact CB-CD1 3.76Å; K98-I108 HydrophobicContact CB-CG1 3.85Å; K106-I108 PolarHBondContact O-N 3.04Å; I108-F120 HydrophobicContact CG2-CD1 4.23Å; I108-F120 HydrophobicContact CG2-CE1 4.28Å; I108-F120 WeakPolarHBondContact O-CA 3.49Å; I108-Y121 PolarHBondContact O-N 2.8Å; I108-F124 HydrophobicContact CB-CD2 4.18Å; I108-F124 HydrophobicContact CB-CE2 4.43Å; I108-F124 HydrophobicContact CB-CG 4.3Å; I108-F124 HydrophobicContact CG1-CD2 4.26Å; I108-F124 HydrophobicContact CG1-CE1 4.33Å; I108-F124 HydrophobicContact CG1-CE2 4.01Å; I108-F124 HydrophobicContact CG1-CZ 4.06Å; I108-F124 HydrophobicContact CG2-CB 4.02Å; I108-F124 HydrophobicContact CG2-CD1 4.01Å; I108-F124 HydrophobicContact CG2-CD2 4.2Å; I108-F124 HydrophobicContact CG2-CG 3.8Å; I108-F130 HydrophobicContact CG2-CD1 4.12Å; I108-L141 HydrophobicContact CD1-CD2 3.69Å; I108-L141 HydrophobicContact CG2-CD1 4.48Å; I108-Y154 HydrophobicContact CD1-CD1 3.73Å; I108-Y154 HydrophobicContact CD1-CE1 3.82Å
109S95.9Very high90.5Very high0 Ų061.6 Ų61.60%033%0.328CS..EExtended strand (participates in β ladder)trans-152.1151.1-173179.20000110.8C95 W96 I119 L132C95-S109 CarbonylContact C-O 3.49Å; C95-S109 WeakPolarHBondContact CA-O 3.35Å; W96-S109 PolarHBondContact N-O 3.37Å; W96-S109 PolarHBondContact O-N 2.96Å; S109-I119 CarbonylContact C-O 3.6Å; S109-I119 WeakPolarHBondContact CA-O 3.31Å; S109-I119 VanDerWaalsContact CB-O 3.27Å; S109-I119 WeakPolarHBondContact CB-O 3.46Å; S109-I119 PolarHBondContact OG-O 2.98Å; S109-L132 WeakPolarHBondContact OG-CD2 3.41Å
110S94.3Very high90.6Very high5 Ų560.7 Ų60.74%0.03532%0.323CS..EExtended strand (participates in β ladder)trans-138.1153.9170.186.50000111I94 I119 Y121I94-S110 CarbonylContact O-C 3.57Å; I94-S110 VanDerWaalsContact O-CA 3.23Å; I94-S110 WeakPolarHBondContact O-CA 3.38Å; S110-I119 PolarHBondContact N-O 2.87Å; S110-I119 PolarHBondContact O-N 3.01Å; S110-Y121 WeakPolarHBondContact OG-CE2 3.32Å; S110-Y121 PolarHBondContact OG-OH 2.68Å
111F92.4Very high90.9Very high10 Ų1062.7 Ų62.74%0.04433%0.327CS..EExtended strand (participates in β ladder)trans-154.2150.7169.963.1-84.7000110.5W93 I94 E117 L132 R134 T139W93-F111 WeakPolarHBondContact CA-O 3.24Å; I94-F111 HydrophobicContact CB-CD1 4.3Å; I94-F111 HydrophobicContact CB-CE1 3.72Å; I94-F111 HydrophobicContact CB-CE2 3.99Å; I94-F111 HydrophobicContact CB-CZ 3.56Å; I94-F111 HydrophobicContact CG1-CE2 3.97Å; I94-F111 HydrophobicContact CG1-CZ 3.86Å; I94-F111 HydrophobicContact CG2-CE1 3.89Å; I94-F111 HydrophobicContact CG2-CZ 3.89Å; I94-F111 PolarHBondContact N-O 3.39Å; I94-F111 PolarHBondContact O-N 3.5Å; F111-E117 WeakPolarHBondContact CB-O 3Å; F111-L132 HydrophobicContact CD1-CD2 3.66Å; F111-L132 HydrophobicContact CE1-CD2 3.74Å; F111-R134 HydrophobicContact CE1-CG 4.36Å; F111-R134 VanDerWaalsContact CE2-CD 3.45Å; F111-R134 HydrophobicContact CE2-CG 4.24Å; F111-R134 HydrophobicContact CZ-CG 4Å; F111-T139 HydrophobicContact CE1-CG2 4.38Å; F111-T139 HydrophobicContact CZ-CG2 3.65Å
112F90.7Very high91.3Very high59 Ų5964.2 Ų64.226%0.25935%0.35SS..EExtended strand (participates in β ladder)trans-83.4137.6169.5-174.4-120.2000109.3A92 W93 Y114 S115A92-F112 WeakPolarHBondContact O-CD2 3.5Å; W93-F112 AromaticContact CD1-CD2 3.92Å; W93-F112 HydrophobicContact CD2-CB 4.1Å; W93-F112 HydrophobicContact CD2-CD2 4.36Å; W93-F112 HydrophobicContact CE3-CB 4.23Å; W93-F112 HydrophobicContact CG-CD2 4.28Å; W93-F112 HydrophobicContact CH2-CB 4.12Å; W93-F112 HydrophobicContact CZ2-CB 3.98Å; W93-F112 HydrophobicContact CZ3-CB 4.24Å; W93-F112 AromaticContact NE1-CD2 3.77Å; F112-Y114 HydrophobicContact CD1-CD2 4.31Å; F112-Y114 AromaticContact CE1-CD2 3.52Å; F112-Y114 HydrophobicContact CE1-CD2 3.52Å; F112-Y114 HydrophobicContact CE1-CG 4.19Å; F112-Y114 AromaticContact CZ-CD2 3.74Å; F112-Y114 HydrophobicContact CZ-CD2 3.74Å; F112-Y114 HydrophobicContact CZ-CE2 4.38Å; F112-Y114 PolarHBondContact O-N 3.02Å; F112-S115 WeakPolarHBondContact O-CB 3.45Å; F112-S115 PolarHBondContact O-N 2.78Å
113V87.2Confident91.9Very high54 Ų5467.2 Ų67.233%0.32735%0.352SS..THydrogen-bonded Turntrans-53.7-32.7-172.8170.40000113.1Y86 A92 I94Y86-V113 HydrophobicContact CD1-CG2 4.39Å; Y86-V113 HydrophobicContact CE1-CG2 4.36Å; A92-V113 HydrophobicContact CB-CG2 4.42Å; A92-V113 WeakPolarHBondContact O-CG2 3.46Å; A92-V113 PolarHBondContact O-N 3.43Å; I94-V113 HydrophobicContact CD1-CG2 4.34Å; I94-V113 HydrophobicContact CG1-CG2 3.97Å
114Y85.2Confident92.3Very high152 Ų15262.8 Ų62.860%0.59633%0.332SS*.THydrogen-bonded Turntrans-92.9-5.5178.9-56.1-63.4000114.9S91 F112S91-Y114 WeakPolarHBondContact OG-CE2 3.32Å; F112-Y114 HydrophobicContact CD1-CD2 4.31Å; F112-Y114 AromaticContact CE1-CD2 3.52Å; F112-Y114 HydrophobicContact CE1-CD2 3.52Å; F112-Y114 HydrophobicContact CE1-CG 4.19Å; F112-Y114 AromaticContact CZ-CD2 3.74Å; F112-Y114 HydrophobicContact CZ-CD2 3.74Å; F112-Y114 HydrophobicContact CZ-CE2 4.38Å; F112-Y114 PolarHBondContact O-N 3.02Å
115S87.2Confident92.4Very high40 Ų4062.1 Ų62.128%0.2832%0.324SS..  trans-83.8137.8179179.30000111.1F112 E117 R134F112-S115 WeakPolarHBondContact O-CB 3.45Å; F112-S115 PolarHBondContact O-N 2.78Å; S115-E117 PolarHBondContact O-N 2.84Å; S115-E117 PolarHBondContact OG-N 2.83Å; S115-R134 PolarHBondContact O-NH1 2.93Å
116P83.8Confident92.3Very high111 Ų11167.1 Ų67.172%0.72135%0.347SS*.SBendtrans-76.6-4.6173.233.4-35.5000113.1R134P116-R134 PolarHBondContact O-NH2 3.42Å
117E88.6Confident92.2Very high135 Ų13564.9 Ų64.963%0.63134%0.34SS*.  trans-102.7145.2-175.9-66.4175.8-170.400112.4F111 S115 R134F111-E117 WeakPolarHBondContact CB-O 3Å; S115-E117 PolarHBondContact O-N 2.84Å; S115-E117 PolarHBondContact OG-N 2.83Å; E117-R134 PolarHBondContact O-NH1 2.85Å
118N92.3Very high92.1Very high49 Ų4967.8 Ų67.826%0.26236%0.364SS..  trans-106.9126.2167.5-65.7-36.6000108F120 L132 R134N118-F120 HydrophobicContact CB-CE2 4.15Å; N118-L132 HydrophobicContact CB-CD2 4.28Å; N118-L132 PolarHBondContact ND2-O 2.81Å; N118-R134 VanDerWaalsContact OD1-CD 3.25Å; N118-R134 WeakPolarHBondContact OD1-CD 3.35Å; N118-R134 PolarHBondContact OD1-NE 3.38Å; N118-R134 PolarHBondContact OD1-NH1 2.92Å
119I95.1Very high92.1Very high69 Ų6968.8 Ų68.835%0.35437%0.368SS..EExtended strand (participates in β ladder)trans-99.4129.3177.3-53.5171.8000107.5W93 S109 S110 Y121W93-I119 HydrophobicContact CZ3-CD1 4.47Å; S109-I119 CarbonylContact C-O 3.6Å; S109-I119 WeakPolarHBondContact CA-O 3.31Å; S109-I119 VanDerWaalsContact CB-O 3.27Å; S109-I119 WeakPolarHBondContact CB-O 3.46Å; S109-I119 PolarHBondContact OG-O 2.98Å; S110-I119 PolarHBondContact N-O 2.87Å; S110-I119 PolarHBondContact O-N 3.01Å; I119-Y121 HydrophobicContact CB-CE2 4.15Å; I119-Y121 HydrophobicContact CG2-CE1 3.85Å; I119-Y121 HydrophobicContact CG2-CE2 3.85Å; I119-Y121 VanDerWaalsContact CG2-CZ 3.47Å
120F96.6Very high92.1Very high37 Ų3769.2 Ų69.216%0.16237%0.37CS..EExtended strand (participates in β ladder)trans-108.5152.9172.1-75.1-95.6000109.7I108 N118 F124 E125 F130 L132I108-F120 HydrophobicContact CG2-CD1 4.23Å; I108-F120 HydrophobicContact CG2-CE1 4.28Å; I108-F120 WeakPolarHBondContact O-CA 3.49Å; N118-F120 HydrophobicContact CB-CE2 4.15Å; F120-F124 HydrophobicContact CD1-CB 4.18Å; F120-E125 HydrophobicContact CB-CB 4.39Å; F120-F130 HydrophobicContact CE1-CB 4.13Å; F120-L132 HydrophobicContact CE2-CB 4.37Å; F120-L132 HydrophobicContact CZ-CB 3.75Å
121Y96.3Very high92.2Very high80 Ų8072 Ų7231%0.31439%0.386SS..  trans-126.9146.6-172.5-60.6-88.3000112.4L107 I108 S110 I119 E123 F124L107-Y121 HydrophobicContact CD2-CD1 4.46Å; L107-Y121 HydrophobicContact CD2-CD2 3.5Å; L107-Y121 HydrophobicContact CD2-CE1 4.48Å; L107-Y121 HydrophobicContact CD2-CE2 3.53Å; L107-Y121 HydrophobicContact CD2-CG 3.99Å; L107-Y121 HydrophobicContact CG-CD2 3.72Å; L107-Y121 HydrophobicContact CG-CE2 4.1Å; L107-Y121 HydrophobicContact CG-CG 4.37Å; I108-Y121 PolarHBondContact O-N 2.8Å; S110-Y121 WeakPolarHBondContact OG-CE2 3.32Å; S110-Y121 PolarHBondContact OG-OH 2.68Å; I119-Y121 HydrophobicContact CB-CE2 4.15Å; I119-Y121 HydrophobicContact CG2-CE1 3.85Å; I119-Y121 HydrophobicContact CG2-CE2 3.85Å; I119-Y121 VanDerWaalsContact CG2-CZ 3.47Å; Y121-E123 PolarHBondContact O-N 3.24Å; Y121-F124 WeakPolarHBondContact O-CB 3.39Å; Y121-F124 WeakPolarHBondContact O-CD2 3.47Å; Y121-F124 PolarHBondContact O-N 3.31Å; Y121-F124 VanDerWaalsContact O-N 3.1Å
122G94.6Very high92.3Very high63 Ų6372 Ų7265%0.64939%0.387SS*.G310 helixtrans57-126169.100000113.3F124 E125G122-F124 PolarHBondContact O-N 2.84Å; G122-E125 PolarHBondContact O-N 3.26Å
123E93.2Very high92.4Very high107 Ų10773 Ų7350%0.539%0.394SS..G310 helixtrans-66.4-7.3-178.368.2-174.2151.600114.5K106 Y121 N127K106-E123 WeakPolarHBondContact CD-OE1 3.46Å; K106-E123 IonicContact NZ-OE1 3.07Å; K106-E123 PolarHBondContact NZ-OE1 3.32Å; K106-E123 IonicContact NZ-OE2 2.72Å; Y121-E123 PolarHBondContact O-N 3.24Å; E123-N127 PolarHBondContact O-ND2 2.88Å
124F95.1Very high92.6Very high7 Ų774.2 Ų74.23%0.03139%0.393CS..G310 helixtrans-101.2-15.7-178.2-50.6-74.7000113.6K98 K106 I108 F120 Y121 G122 N126 N127 F130K98-F124 HydrophobicContact CB-CZ 4.26Å; K98-F124 HydrophobicContact CD-CE1 4.16Å; K98-F124 HydrophobicContact CD-CZ 3.91Å; K106-F124 HydrophobicContact CB-CE2 4.45Å; I108-F124 HydrophobicContact CB-CD2 4.18Å; I108-F124 HydrophobicContact CB-CE2 4.43Å; I108-F124 HydrophobicContact CB-CG 4.3Å; I108-F124 HydrophobicContact CG1-CD2 4.26Å; I108-F124 HydrophobicContact CG1-CE1 4.33Å; I108-F124 HydrophobicContact CG1-CE2 4.01Å; I108-F124 HydrophobicContact CG1-CZ 4.06Å; I108-F124 HydrophobicContact CG2-CB 4.02Å; I108-F124 HydrophobicContact CG2-CD1 4.01Å; I108-F124 HydrophobicContact CG2-CD2 4.2Å; I108-F124 HydrophobicContact CG2-CG 3.8Å; F120-F124 HydrophobicContact CD1-CB 4.18Å; Y121-F124 WeakPolarHBondContact O-CB 3.39Å; Y121-F124 WeakPolarHBondContact O-CD2 3.47Å; Y121-F124 PolarHBondContact O-N 3.31Å; Y121-F124 VanDerWaalsContact O-N 3.1Å; G122-F124 PolarHBondContact O-N 2.84Å; F124-N126 PolarHBondContact O-N 2.81Å; F124-N127 PolarHBondContact O-N 2.83Å; F124-F130 HydrophobicContact CD1-CD1 4.06Å; F124-F130 AromaticContact CD1-CD2 3.94Å; F124-F130 HydrophobicContact CD1-CD2 3.94Å; F124-F130 AromaticContact CD1-CE1 3.93Å; F124-F130 HydrophobicContact CD1-CE1 3.93Å; F124-F130 AromaticContact CD1-CE2 3.8Å; F124-F130 HydrophobicContact CD1-CE2 3.8Å; F124-F130 HydrophobicContact CD1-CG 4.07Å; F124-F130 AromaticContact CD1-CZ 3.82Å; F124-F130 HydrophobicContact CD1-CZ 3.82Å; F124-F130 HydrophobicContact CE1-CD1 4.46Å; F124-F130 AromaticContact CE1-CE1 3.89Å; F124-F130 HydrophobicContact CE1-CE1 3.89Å; F124-F130 HydrophobicContact CE1-CE2 4.03Å; F124-F130 AromaticContact CE1-CZ 3.66Å; F124-F130 HydrophobicContact CE1-CZ 3.66Å
125E92.3Very high92.6Very high126 Ų12674.3 Ų74.359%0.58940%0.396SS*.THydrogen-bonded Turntrans-62.3-46-172.4-169.4172.5-176.100113.4F120 G122F120-E125 HydrophobicContact CB-CB 4.39Å; G122-E125 PolarHBondContact O-N 3.26Å
126N89.5Confident92.3Very high164 Ų16480.1 Ų80.188%0.87742%0.424SS*.THydrogen-bonded Turntrans-105.328.8179-69.5-35.2000112.5F124F124-N126 PolarHBondContact O-N 2.81Å
127N93.8Very high92.3Very high43 Ų4380.5 Ų80.523%0.2341%0.411CS..  trans-108.693.5-175-159.3-27.7000111.1E123 F124 R129 F130E123-N127 PolarHBondContact O-ND2 2.88Å; F124-N127 PolarHBondContact O-N 2.83Å; N127-R129 PolarHBondContact O-N 2.92Å; N127-R129 WeakPolarHBondContact OD1-CB 3.34Å; N127-R129 WeakPolarHBondContact OD1-CG 3.38Å; N127-R129 PolarHBondContact OD1-N 3.06Å; N127-R129 PolarHBondContact OD1-NE 2.92Å; N127-F130 HydrophobicContact CB-CD2 4.15Å; N127-F130 PolarHBondContact O-N 2.81Å
128S93.6Very high92.2Very high112 Ų11276.6 Ų76.678%0.78340%0.397SS*.THydrogen-bonded Turntrans-60.1-12.1-178.258.70000114.8F130S128-F130 VanDerWaalsContact C-N 3.32Å
129R96.9Very high92.2Very high22 Ų2274.6 Ų74.68%0.08339%0.386CS..THydrogen-bonded Turntrans-70.6-28.6174.1-59.4-171.9-48.1113.5-3.9113N127 I143 S144 N145 D150N127-R129 PolarHBondContact O-N 2.92Å; N127-R129 WeakPolarHBondContact OD1-CB 3.34Å; N127-R129 WeakPolarHBondContact OD1-CG 3.38Å; N127-R129 PolarHBondContact OD1-N 3.06Å; N127-R129 PolarHBondContact OD1-NE 2.92Å; R129-I143 WeakPolarHBondContact O-CA 3.46Å; R129-S144 WeakPolarHBondContact CA-OG 3.34Å; R129-S144 WeakPolarHBondContact CB-O 3.32Å; R129-S144 PolarHBondContact NH1-O 3.07Å; R129-S144 PolarHBondContact O-N 2.03Å; R129-S144 PolarHBondContact O-OG 2.85Å; R129-N145 HydrophobicContact CG-CB 4.4Å; R129-N145 PolarHBondContact NH1-O 2.93Å; R129-D150 IonicContact CZ-OD2 3.55Å; R129-D150 IonicContact NH1-OD1 3.59Å; R129-D150 IonicContact NH1-OD2 2.87Å; R129-D150 PolarHBondContact NH1-OD2 2.78Å; R129-D150 IonicContact NH2-OD1 2.78Å; R129-D150 PolarHBondContact NH2-OD1 2.82Å; R129-D150 VanDerWaalsContact NH2-OD1 3.1Å; R129-D150 IonicContact NH2-OD2 4Å; R129-D150 PolarHBondContact NH2-OD2 2.86Å
130F96.5Very high92.1Very high9 Ų972.7 Ų72.74%0.03938%0.377CS..EExtended strand (participates in β ladder)trans-96.1115.4-180-71.1-98.3000109.1I108 F120 F124 N127 S128 L141 I142 I143 Y154I108-F130 HydrophobicContact CG2-CD1 4.12Å; F120-F130 HydrophobicContact CE1-CB 4.13Å; F124-F130 HydrophobicContact CD1-CD1 4.06Å; F124-F130 AromaticContact CD1-CD2 3.94Å; F124-F130 HydrophobicContact CD1-CD2 3.94Å; F124-F130 AromaticContact CD1-CE1 3.93Å; F124-F130 HydrophobicContact CD1-CE1 3.93Å; F124-F130 AromaticContact CD1-CE2 3.8Å; F124-F130 HydrophobicContact CD1-CE2 3.8Å; F124-F130 HydrophobicContact CD1-CG 4.07Å; F124-F130 AromaticContact CD1-CZ 3.82Å; F124-F130 HydrophobicContact CD1-CZ 3.82Å; F124-F130 HydrophobicContact CE1-CD1 4.46Å; F124-F130 AromaticContact CE1-CE1 3.89Å; F124-F130 HydrophobicContact CE1-CE1 3.89Å; F124-F130 HydrophobicContact CE1-CE2 4.03Å; F124-F130 AromaticContact CE1-CZ 3.66Å; F124-F130 HydrophobicContact CE1-CZ 3.66Å; N127-F130 HydrophobicContact CB-CD2 4.15Å; N127-F130 PolarHBondContact O-N 2.81Å; S128-F130 VanDerWaalsContact C-N 3.32Å; F130-L141 HydrophobicContact CD1-CD1 4.37Å; F130-I142 WeakPolarHBondContact CA-O 3.48Å; F130-I143 HydrophobicContact CD1-CD1 4.22Å; F130-I143 HydrophobicContact CD1-CG1 3.86Å; F130-I143 HydrophobicContact CD1-CG2 4.24Å; F130-I143 HydrophobicContact CE1-CB 4.43Å; F130-I143 HydrophobicContact CE1-CD1 3.67Å; F130-I143 HydrophobicContact CE1-CG1 3.76Å; F130-I143 HydrophobicContact CE1-CG2 3.85Å; F130-I143 HydrophobicContact CE2-CG2 4.2Å; F130-I143 HydrophobicContact CZ-CD1 4.44Å; F130-I143 HydrophobicContact CZ-CG2 3.81Å; F130-Y154 HydrophobicContact CE1-CE1 4.39Å
131T95.6Very high92.1Very high62 Ų6271 Ų7138%0.3837%0.369SS..EExtended strand (participates in β ladder)trans-122.9133.8178.6-58.60000109.7I133 I142T131-I133 HydrophobicContact CG2-CG1 4Å; T131-I142 PolarHBondContact N-O 2.68Å; T131-I142 PolarHBondContact O-N 2.92Å
132L95Very high92.1Very high11 Ų1168.4 Ų68.46%0.05836%0.361CS..EExtended strand (participates in β ladder)trans-112.7109.8176.5-174.663.6000110.3S109 F111 N118 F120 L141S109-L132 WeakPolarHBondContact OG-CD2 3.41Å; F111-L132 HydrophobicContact CD1-CD2 3.66Å; F111-L132 HydrophobicContact CE1-CD2 3.74Å; N118-L132 HydrophobicContact CB-CD2 4.28Å; N118-L132 PolarHBondContact ND2-O 2.81Å; F120-L132 HydrophobicContact CE2-CB 4.37Å; F120-L132 HydrophobicContact CZ-CB 3.75Å; L132-L141 HydrophobicContact CD1-CB 4.44Å
133I92.7Very high92.2Very high81 Ų8165.4 Ų65.442%0.41533%0.33SS..EExtended strand (participates in β ladder)trans-103125.6178.5-56.2-174.1000109.4T131 N140 I142T131-I133 HydrophobicContact CG2-CG1 4Å; I133-N140 HydrophobicContact CB-CB 4.48Å; I133-N140 PolarHBondContact N-O 3.4Å; I133-N140 PolarHBondContact O-N 3Å; I133-I142 HydrophobicContact CD1-CD1 3.52Å; I133-I142 HydrophobicContact CG1-CD1 4.11Å
134R90.1Very high92.4Very high79 Ų7961.9 Ų61.930%0.29832%0.317SS..EExtended strand (participates in β ladder)trans-107.1129.4176.7-62.3174.1-61.81752.7109.5F111 S115 P116 E117 N118F111-R134 HydrophobicContact CE1-CG 4.36Å; F111-R134 VanDerWaalsContact CE2-CD 3.45Å; F111-R134 HydrophobicContact CE2-CG 4.24Å; F111-R134 HydrophobicContact CZ-CG 4Å; S115-R134 PolarHBondContact O-NH1 2.93Å; P116-R134 PolarHBondContact O-NH2 3.42Å; E117-R134 PolarHBondContact O-NH1 2.85Å; N118-R134 VanDerWaalsContact OD1-CD 3.25Å; N118-R134 WeakPolarHBondContact OD1-CD 3.35Å; N118-R134 PolarHBondContact OD1-NE 3.38Å; N118-R134 PolarHBondContact OD1-NH1 2.92Å
135K85Confident92.5Very high153 Ų15365.9 Ų65.967%0.66534%0.339SS*.EExtended strand (participates in β ladder)trans-139.8112.9176.3-171.3176.5-178177.80109.2R137 T138K135-R137 PolarHBondContact O-N 3.22Å; K135-T138 PolarHBondContact N-O 3.28Å; K135-T138 PolarHBondContact O-N 3.42Å; K135-T138 PolarHBondContact O-OG1 3.22Å
136N82.4Confident92.6Very high162 Ų16260 Ų6087%0.86631%0.311SS*.THydrogen-bonded Turntrans52.9-124.9-177.4-166.917.6000110.4T138N136-T138 VanDerWaalsContact C-N 3.29Å; N136-T138 PolarHBondContact O-N 3.25Å
137R82.2Confident92.8Very high119 Ų11957.1 Ų57.145%0.44929%0.291SS..THydrogen-bonded Turntrans-85.814.6176.6-71.4-169.5-173.8-146.2-4.6114.8S85 Y86 E87 D89 K135S85-R137 WeakPolarHBondContact CA-O 3.43Å; Y86-R137 PolarHBondContact N-O 3.17Å; Y86-R137 WeakPolarHBondContact O-CB 3.43Å; E87-R137 PolarHBondContact O-NH1 2.94Å; E87-R137 VanDerWaalsContact O-NH1 3.1Å; D89-R137 IonicContact OD1-CZ 3.39Å; D89-R137 IonicContact OD1-NH1 2.68Å; D89-R137 PolarHBondContact OD1-NH1 2.85Å; D89-R137 IonicContact OD1-NH2 3.2Å; D89-R137 PolarHBondContact OD1-NH2 3.39Å; K135-R137 PolarHBondContact O-N 3.22Å
138T87.9Confident92.5Very high53 Ų5356.9 Ų56.933%0.32529%0.289SS..EExtended strand (participates in β ladder)trans-122143.7-177.663.80000112.2C84 K135 N136C84-T138 CarbonylContact O-C 3.57Å; C84-T138 WeakPolarHBondContact O-CA 3.33Å; K135-T138 PolarHBondContact N-O 3.28Å; K135-T138 PolarHBondContact O-N 3.42Å; K135-T138 PolarHBondContact O-OG1 3.22Å; N136-T138 VanDerWaalsContact C-N 3.29Å; N136-T138 PolarHBondContact O-N 3.25Å
139T91.3Very high92.3Very high7 Ų755.1 Ų55.14%0.04328%0.277CS..EExtended strand (participates in β ladder)trans-130.4120.7-176.8103.70000106.6C84 I94 W96 F111C84-T139 PolarHBondContact N-O 2.99Å; C84-T139 PolarHBondContact O-N 3.5Å; I94-T139 HydrophobicContact CG2-CG2 4.29Å; W96-T139 PolarHBondContact NE1-OG1 3.43Å; F111-T139 HydrophobicContact CE1-CG2 4.38Å; F111-T139 HydrophobicContact CZ-CG2 3.65Å
140N93.7Very high92.2Very high30 Ų3054.2 Ų54.216%0.1627%0.274CS..EExtended strand (participates in β ladder)trans-115.5113.6-174.5-64.1-20.6000108.9T81 L82 R83 I133T81-N140 HydrophobicContact CG2-CB 4.13Å; L82-N140 CarbonylContact O-C 3.45Å; L82-N140 VanDerWaalsContact O-CA 3.27Å; L82-N140 WeakPolarHBondContact O-CA 3.22Å; R83-N140 WeakPolarHBondContact CB-OD1 3.47Å; R83-N140 WeakPolarHBondContact CG-OD1 3.44Å; I133-N140 HydrophobicContact CB-CB 4.48Å; I133-N140 PolarHBondContact N-O 3.4Å; I133-N140 PolarHBondContact O-N 3Å
141L95.9Very high92Very high0 Ų054.1 Ų54.10%027%0.274CS..EExtended strand (participates in β ladder)trans-87.4115.6170.1179.965.7000108.6T81 L82 W96 I108 F130 L132 I143 Y154T81-L141 WeakPolarHBondContact CA-O 3.4Å; L82-L141 HydrophobicContact CB-CB 4.41Å; L82-L141 HydrophobicContact CD1-CD2 4.48Å; L82-L141 PolarHBondContact N-O 3.38Å; L82-L141 PolarHBondContact O-N 3.11Å; W96-L141 HydrophobicContact CB-CD2 4.47Å; W96-L141 HydrophobicContact CD2-CB 3.89Å; W96-L141 HydrophobicContact CD2-CD2 3.99Å; W96-L141 HydrophobicContact CE3-CB 4.02Å; W96-L141 HydrophobicContact CE3-CD2 3.67Å; W96-L141 HydrophobicContact CE3-CG 4.49Å; W96-L141 HydrophobicContact CG-CD2 4.36Å; W96-L141 HydrophobicContact CH2-CB 4.03Å; W96-L141 HydrophobicContact CZ2-CB 3.91Å; W96-L141 HydrophobicContact CZ3-CB 4.09Å; W96-L141 HydrophobicContact CZ3-CD2 4.2Å; I108-L141 HydrophobicContact CD1-CD2 3.69Å; I108-L141 HydrophobicContact CG2-CD1 4.48Å; F130-L141 HydrophobicContact CD1-CD1 4.37Å; L132-L141 HydrophobicContact CD1-CB 4.44Å; L141-I143 HydrophobicContact CD2-CD1 4.41Å; L141-I143 HydrophobicContact CG-CG1 4.25Å; L141-Y154 HydrophobicContact CD2-CD1 4.02Å; L141-Y154 HydrophobicContact CD2-CE1 4.45Å
142I96.4Very high91.9Very high27 Ų2751.3 Ų51.314%0.13826%0.257CS..EExtended strand (participates in β ladder)trans-103.8130.9175.9-54.4178.9000108E79 V80 T81 F130 T131 I133E79-I142 HydrophobicContact CG-CG2 3.71Å; V80-I142 WeakPolarHBondContact O-CA 3.41Å; T81-I142 HydrophobicContact CG2-CG1 4.07Å; F130-I142 WeakPolarHBondContact CA-O 3.48Å; T131-I142 PolarHBondContact N-O 2.68Å; T131-I142 PolarHBondContact O-N 2.92Å; I133-I142 HydrophobicContact CD1-CD1 3.52Å; I133-I142 HydrophobicContact CG1-CD1 4.11Å
143I97.7Very high91.8Very high0 Ų052.1 Ų52.10%026%0.262CS..EExtended strand (participates in β ladder)trans-123.1107.3175.7-44.7172.9000107.3E79 V80 R129 F130 L141 L146 Y154E79-I143 WeakPolarHBondContact CA-O 3.45Å; V80-I143 HydrophobicContact CG1-CB 3.97Å; V80-I143 HydrophobicContact CG1-CD1 4.2Å; V80-I143 HydrophobicContact CG1-CG1 4.25Å; V80-I143 PolarHBondContact N-O 3.23Å; V80-I143 PolarHBondContact O-N 3.48Å; R129-I143 WeakPolarHBondContact O-CA 3.46Å; F130-I143 HydrophobicContact CD1-CD1 4.22Å; F130-I143 HydrophobicContact CD1-CG1 3.86Å; F130-I143 HydrophobicContact CD1-CG2 4.24Å; F130-I143 HydrophobicContact CE1-CB 4.43Å; F130-I143 HydrophobicContact CE1-CD1 3.67Å; F130-I143 HydrophobicContact CE1-CG1 3.76Å; F130-I143 HydrophobicContact CE1-CG2 3.85Å; F130-I143 HydrophobicContact CE2-CG2 4.2Å; F130-I143 HydrophobicContact CZ-CD1 4.44Å; F130-I143 HydrophobicContact CZ-CG2 3.81Å; L141-I143 HydrophobicContact CD2-CD1 4.41Å; L141-I143 HydrophobicContact CG-CG1 4.25Å; I143-L146 HydrophobicContact CB-CD2 3.95Å; I143-L146 HydrophobicContact CG2-CD2 3.72Å; I143-Y154 HydrophobicContact CD1-CD1 4.17Å; I143-Y154 HydrophobicContact CD1-CE1 3.42Å; I143-Y154 VanDerWaalsContact CD1-CE1 3.42Å; I143-Y154 HydrophobicContact CD1-CE2 4.2Å; I143-Y154 VanDerWaalsContact CD1-CZ 3.43Å; I143-Y154 WeakPolarHBondContact CD1-OH 3.39Å
144S97.4Very high91.9Very high33 Ų3348.2 Ų48.223%0.23124%0.242CC..  trans-97.4165.7179.566.30000111.8R129 L146R129-S144 WeakPolarHBondContact CA-OG 3.34Å; R129-S144 WeakPolarHBondContact CB-O 3.32Å; R129-S144 PolarHBondContact NH1-O 3.07Å; R129-S144 PolarHBondContact O-N 2.03Å; R129-S144 PolarHBondContact O-OG 2.85Å; S144-L146 VanDerWaalsContact C-N 3.33Å; S144-L146 PolarHBondContact O-N 2.83Å
145N96.1Very high92.1Very high91 Ų9146.7 Ų46.749%0.48724%0.237SC..SBendtrans46.258.7-177.9-174.219.2000111.2G78 R129 K147G78-N145 PolarHBondContact O-N 3.35Å; R129-N145 HydrophobicContact CG-CB 4.4Å; R129-N145 PolarHBondContact NH1-O 2.93Å; N145-K147 PolarHBondContact O-N 3.17Å
146L95.6Very high92.4Very high1 Ų139.4 Ų39.41%0.00521%0.205CC..  trans-58.8133.8-171.8-72.2168.3000112A74 G77 G78 V80 I143 S144 D150 I174A74-L146 HydrophobicContact CB-CD1 3.56Å; G77-L146 PolarHBondContact N-O 3.3Å; G78-L146 VanDerWaalsContact O-CG 3.31Å; G78-L146 WeakPolarHBondContact O-CG 3.43Å; G78-L146 PolarHBondContact O-N 3.01Å; V80-L146 HydrophobicContact CB-CD1 4.27Å; V80-L146 HydrophobicContact CG1-CD1 4.41Å; V80-L146 HydrophobicContact CG1-CD2 4.04Å; I143-L146 HydrophobicContact CB-CD2 3.95Å; I143-L146 HydrophobicContact CG2-CD2 3.72Å; S144-L146 VanDerWaalsContact C-N 3.33Å; S144-L146 PolarHBondContact O-N 2.83Å; L146-D150 HydrophobicContact CD2-CB 4.29Å; L146-I174 HydrophobicContact CB-CD1 4.01Å; L146-I174 HydrophobicContact CB-CG1 4.44Å; L146-I174 HydrophobicContact CB-CG2 4.26Å; L146-I174 HydrophobicContact CD1-CD1 3.79Å; L146-I174 HydrophobicContact CD2-CD1 3.92Å; L146-I174 HydrophobicContact CG-CD1 4.11Å
147K92.6Very high92.9Very high104 Ų10431.7 Ų31.745%0.45216%0.164SC..  trans-110.5156.3176.1-60.1-176.6-179.9-175.70109.9N145 S149 D150 I174N145-K147 PolarHBondContact O-N 3.17Å; K147-S149 PolarHBondContact O-N 3.38Å; K147-S149 VanDerWaalsContact O-N 3.1Å; K147-D150 PolarHBondContact N-OD2 2.76Å; K147-D150 WeakPolarHBondContact O-CB 3.37Å; K147-D150 PolarHBondContact O-N 3.16Å; K147-I174 WeakPolarHBondContact O-CG1 3.25Å
148M88.1Confident93.2Very high39 Ų3926.6 Ų26.619%0.19215%0.145CC..G310 helixtrans-49.2-40.3173.3-78.9-62.6110.500112.8V76 D150 S151 I174 D176 Q277V76-M148 HydrophobicContact CG2-CE 3.08Å; M148-D150 PolarHBondContact O-N 3.4Å; M148-D150 VanDerWaalsContact O-N 3.13Å; M148-S151 WeakPolarHBondContact O-CB 3.22Å; M148-S151 PolarHBondContact O-N 2.8Å; M148-S151 VanDerWaalsContact O-N 3.07Å; M148-S151 PolarHBondContact O-OG 3.45Å; M148-I174 HydrophobicContact CE-CB 3.76Å; M148-I174 HydrophobicContact CE-CG2 3.41Å; M148-I174 VanDerWaalsContact CE-CG2 3.41Å; M148-I174 WeakPolarHBondContact CE-O 3.06Å; M148-D176 HydrophobicContact CE-CB 4.09Å; M148-Q277 HydrophobicContact SD-CG 3.9Å
149S89.9Confident93.1Very high75 Ų7525.8 Ų25.852%0.52414%0.14SC..G310 helixtrans-64.5-11.5177.959.10000114.9K98 K147 S151K98-S149 WeakPolarHBondContact CE-O 3.26Å; K98-S149 PolarHBondContact NZ-O 2.03Å; K147-S149 PolarHBondContact O-N 3.38Å; K147-S149 VanDerWaalsContact O-N 3.1Å; S149-S151 VanDerWaalsContact C-N 3.29Å
150D93.3Very high92.7Very high3 Ų330 Ų302%0.01616%0.156CC..G310 helixtrans-84.8-4.4175-58.6-40.3000112.5K98 R129 L146 K147 M148 A152 Y154 I174K98-D150 IonicContact NZ-OD1 3.33Å; R129-D150 IonicContact CZ-OD2 3.55Å; R129-D150 IonicContact NH1-OD1 3.59Å; R129-D150 IonicContact NH1-OD2 2.87Å; R129-D150 PolarHBondContact NH1-OD2 2.78Å; R129-D150 IonicContact NH2-OD1 2.78Å; R129-D150 PolarHBondContact NH2-OD1 2.82Å; R129-D150 VanDerWaalsContact NH2-OD1 3.1Å; R129-D150 IonicContact NH2-OD2 4Å; R129-D150 PolarHBondContact NH2-OD2 2.86Å; L146-D150 HydrophobicContact CD2-CB 4.29Å; K147-D150 PolarHBondContact N-OD2 2.76Å; K147-D150 WeakPolarHBondContact O-CB 3.37Å; K147-D150 PolarHBondContact O-N 3.16Å; M148-D150 PolarHBondContact O-N 3.4Å; M148-D150 VanDerWaalsContact O-N 3.13Å; D150-A152 PolarHBondContact O-N 2.98Å; D150-A152 VanDerWaalsContact O-N 3.08Å; D150-Y154 WeakPolarHBondContact O-CE2 3.03Å; D150-Y154 PolarHBondContact O-OH 2.94Å; D150-I174 HydrophobicContact CB-CG1 4.34Å
151S92.6Very high92.1Very high6 Ų631.9 Ų31.94%0.04218%0.176CC..  trans-64.4110170.5-56.60000110.4M148 S149 V172 I174M148-S151 WeakPolarHBondContact O-CB 3.22Å; M148-S151 PolarHBondContact O-N 2.8Å; M148-S151 VanDerWaalsContact O-N 3.07Å; M148-S151 PolarHBondContact O-OG 3.45Å; S149-S151 VanDerWaalsContact C-N 3.29Å; S151-V172 CarbonylContact C-O 3.6Å; S151-V172 VanDerWaalsContact CA-O 3.25Å; S151-V172 WeakPolarHBondContact CA-O 2.85Å; S151-I174 PolarHBondContact OG-N 3.3Å
152A93.4Very high91.2Very high3 Ų341 Ų413%0.02522%0.218CC..EExtended strand (participates in β ladder)trans-166.7167.4-172.600000111.1K98 Q99 D150 Y154 V172K98-A152 HydrophobicContact CD-CB 4.31Å; K98-A152 HydrophobicContact CG-CB 3.64Å; Q99-A152 WeakPolarHBondContact O-CB 3.4Å; D150-A152 PolarHBondContact O-N 2.98Å; D150-A152 VanDerWaalsContact O-N 3.08Å; A152-Y154 HydrophobicContact CB-CD2 4.36Å; A152-Y154 HydrophobicContact CB-CE2 3.8Å; A152-Y154 WeakPolarHBondContact O-CD2 3.43Å; A152-V172 PolarHBondContact N-O 2.96Å; A152-V172 PolarHBondContact O-N 3.27Å
153T92.8Very high90.5Very high28 Ų2844.9 Ų44.917%0.17224%0.238CC..EExtended strand (participates in β ladder)trans-92.6126.8164.7-50.40000109.5Q99 Y155 A170 T171Q99-T153 PolarHBondContact N-O 2.78Å; Q99-T153 PolarHBondContact O-N 2.84Å; T153-Y155 HydrophobicContact CG2-CD2 4.38Å; T153-Y155 HydrophobicContact CG2-CE1 3.96Å; T153-Y155 HydrophobicContact CG2-CE2 3.61Å; T153-Y155 WeakPolarHBondContact CG2-OH 3.48Å; T153-A170 WeakPolarHBondContact CA-O 2.99Å; T153-T171 PolarHBondContact OG1-OG1 3.33Å
154Y95.3Very high89.9Confident0 Ų048.1 Ų48.10%026%0.258CS..EExtended strand (participates in β ladder)trans-106.3129.8-178.7-69.6-95.7000109.6L67 L82 Y97 K98 I108 F130 L141 I143 D150 A152 G169 A170 V172L67-Y154 WeakPolarHBondContact CD2-O 3.44Å; L82-Y154 HydrophobicContact CD1-CD1 4.03Å; L82-Y154 HydrophobicContact CD1-CD2 3.9Å; L82-Y154 HydrophobicContact CD1-CG 3.49Å; L82-Y154 VanDerWaalsContact CD1-CG 3.49Å; Y97-Y154 CarbonylContact O-C 3.56Å; Y97-Y154 VanDerWaalsContact O-CA 3.29Å; Y97-Y154 WeakPolarHBondContact O-CA 3.48Å; K98-Y154 HydrophobicContact CB-CD1 4.21Å; K98-Y154 HydrophobicContact CB-CE1 3.93Å; K98-Y154 HydrophobicContact CD-CE1 4.1Å; K98-Y154 HydrophobicContact CG-CD1 4.38Å; K98-Y154 HydrophobicContact CG-CE1 3.79Å; I108-Y154 HydrophobicContact CD1-CD1 3.73Å; I108-Y154 HydrophobicContact CD1-CE1 3.82Å; F130-Y154 HydrophobicContact CE1-CE1 4.39Å; L141-Y154 HydrophobicContact CD2-CD1 4.02Å; L141-Y154 HydrophobicContact CD2-CE1 4.45Å; I143-Y154 HydrophobicContact CD1-CD1 4.17Å; I143-Y154 HydrophobicContact CD1-CE1 3.42Å; I143-Y154 VanDerWaalsContact CD1-CE1 3.42Å; I143-Y154 HydrophobicContact CD1-CE2 4.2Å; I143-Y154 VanDerWaalsContact CD1-CZ 3.43Å; I143-Y154 WeakPolarHBondContact CD1-OH 3.39Å; D150-Y154 WeakPolarHBondContact O-CE2 3.03Å; D150-Y154 PolarHBondContact O-OH 2.94Å; A152-Y154 HydrophobicContact CB-CD2 4.36Å; A152-Y154 HydrophobicContact CB-CE2 3.8Å; A152-Y154 WeakPolarHBondContact O-CD2 3.43Å; Y154-G169 CarbonylContact O-C 3.49Å; Y154-G169 WeakPolarHBondContact O-CA 3.24Å; Y154-A170 PolarHBondContact N-O 3.12Å; Y154-A170 PolarHBondContact O-N 2.7Å; Y154-V172 HydrophobicContact CD2-CB 4.17Å; Y154-V172 HydrophobicContact CD2-CG2 3.8Å; Y154-V172 HydrophobicContact CE2-CB 3.98Å; Y154-V172 HydrophobicContact CE2-CG2 4.03Å
155Y93.8Very high89.3Confident47 Ų4748.3 Ų48.318%0.18426%0.259CS..EExtended strand (participates in β ladder)trans-117.6135.5-179.9-58.1-88.5000110.2W96 Y97 Q99 T153 F166W96-Y155 CarbonylContact C-O 3.52Å; W96-Y155 WeakPolarHBondContact CA-O 3.25Å; Y97-Y155 PolarHBondContact N-O 2.83Å; Y97-Y155 PolarHBondContact O-N 2.81Å; Q99-Y155 HydrophobicContact CB-CD2 4.33Å; Q99-Y155 HydrophobicContact CB-CE2 3.81Å; Q99-Y155 VanDerWaalsContact OE1-CE2 3.28Å; Q99-Y155 PolarHBondContact OE1-OH 2.96Å; T153-Y155 HydrophobicContact CG2-CD2 4.38Å; T153-Y155 HydrophobicContact CG2-CE1 3.96Å; T153-Y155 HydrophobicContact CG2-CE2 3.61Å; T153-Y155 WeakPolarHBondContact CG2-OH 3.48Å; Y155-F166 HydrophobicContact CG-CD1 4.4Å
156C92.8Very high88.9Confident0 Ų048.7 Ų48.70%026%0.257CS..EExtended strand (participates in β ladder)trans-92.3136.2158.4-170.90000108V65 L67 C84 C95 W96 S167V65-C156 HydrophobicContact CG1-CB 4.17Å; L67-C156 HydrophobicContact CB-CB 4.37Å; L67-C156 HydrophobicContact CD2-CB 4.46Å; C84-C156 HydrophobicContact CB-CB 3.49Å; C84-C156 VanDerWaalsContact CB-CB 3.49Å; C84-C156 WeakPolarHBondContact CB-SG 3.25Å; C84-C156 WeakPolarHBondContact SG-CB 3.12Å; C84-C156 CovalentContact SG-SG 2.03Å; C84-C156 PolarHBondContact SG-SG 2.75Å; C95-C156 CarbonylContact O-C 3.6Å; C95-C156 WeakPolarHBondContact O-CA 3.4Å; W96-C156 HydrophobicContact CD2-CB 4.47Å; W96-C156 HydrophobicContact CE3-CB 4.41Å; W96-C156 HydrophobicContact CH2-CB 4.23Å; W96-C156 HydrophobicContact CZ2-CB 4.26Å; W96-C156 HydrophobicContact CZ3-CB 4.29Å; C156-S167 PolarHBondContact N-OG 2.93Å; C156-S167 VanDerWaalsContact O-CB 3.29Å; C156-S167 WeakPolarHBondContact O-CB 3.44Å; C156-S167 PolarHBondContact O-N 2.83Å; C156-S167 PolarHBondContact O-OG 3.23Å
157A91.6Very high88.6Confident0 Ų049.1 Ų49.10%026%0.26CS..EExtended strand (participates in β ladder)trans-134.3153.2173.900000109.5I94 C95 Y97 V164 S165 F166I94-A157 WeakPolarHBondContact CA-O 3.3Å; C95-A157 PolarHBondContact N-O 3.47Å; C95-A157 PolarHBondContact O-N 3.24Å; Y97-A157 HydrophobicContact CD2-CB 4.21Å; Y97-A157 HydrophobicContact CE2-CB 3.89Å; A157-V164 HydrophobicContact CB-CG1 4.25Å; A157-S165 VanDerWaalsContact CA-O 3.25Å; A157-S165 WeakPolarHBondContact CA-O 3.34Å; A157-S165 WeakPolarHBondContact CB-O 3.3Å; A157-F166 HydrophobicContact CB-CD1 3.77Å; A157-F166 HydrophobicContact CB-CE1 3.94Å; A157-F166 HydrophobicContact CB-CG 4.11Å; A157-F166 HydrophobicContact CB-CZ 4.4Å
158F88.3Confident88.2Confident11 Ų1149.1 Ų49.15%0.04826%0.261CS..EExtended strand (participates in β ladder)trans-122.7147.9171.168.4-73.2000109.9P64 V65 Y86 W93 I94 V164 S165P64-F158 HydrophobicContact CB-CZ 4.43Å; P64-F158 HydrophobicContact CG-CD2 4.31Å; P64-F158 HydrophobicContact CG-CE1 3.62Å; P64-F158 HydrophobicContact CG-CE2 3.44Å; P64-F158 VanDerWaalsContact CG-CE2 3.44Å; P64-F158 HydrophobicContact CG-CZ 3.04Å; V65-F158 HydrophobicContact CB-CD1 3.45Å; V65-F158 VanDerWaalsContact CB-CD1 3.45Å; V65-F158 HydrophobicContact CB-CE1 3.81Å; V65-F158 HydrophobicContact CB-CG 4.41Å; V65-F158 HydrophobicContact CG2-CB 3.68Å; V65-F158 HydrophobicContact CG2-CD1 3.04Å; V65-F158 HydrophobicContact CG2-CE1 3.79Å; V65-F158 HydrophobicContact CG2-CG 3.54Å; Y86-F158 HydrophobicContact CE2-CD2 4.11Å; Y86-F158 HydrophobicContact CE2-CG 4.34Å; W93-F158 CarbonylContact O-C 3.53Å; W93-F158 WeakPolarHBondContact O-CA 3.27Å; I94-F158 HydrophobicContact CD1-CB 3.64Å; F158-V164 WeakPolarHBondContact O-CA 2.79Å; F158-S165 WeakPolarHBondContact CD1-O 3.47Å; F158-S165 PolarHBondContact N-O 3.16Å; F158-S165 PolarHBondContact O-N 3.19Å
159T86.7Confident88.3Confident36 Ų3647.4 Ų47.422%0.22125%0.253CS..EExtended strand (participates in β ladder)trans-125.2119.5-178.9-52.30000109.2A92 W93 I163 V164A92-T159 WeakPolarHBondContact CA-O 3.4Å; W93-T159 PolarHBondContact N-O 2.97Å; W93-T159 PolarHBondContact O-N 3.33Å; T159-I163 VanDerWaalsContact CA-O 3.3Å; T159-I163 WeakPolarHBondContact CA-O 3.46Å; T159-V164 HydrophobicContact CG2-CG2 3.94Å
160Y83.6Confident88.4Confident95 Ų9543.8 Ų43.837%0.37323%0.228SC..EExtended strand (participates in β ladder)trans-137.1136.4174.4171.6-104000109.8E90 Q162 I163E90-Y160 HydrophobicContact CB-CD2 3.67Å; E90-Y160 HydrophobicContact CB-CE2 3.82Å; E90-Y160 HydrophobicContact CB-CG 4.03Å; E90-Y160 VanDerWaalsContact CD-CD1 3.42Å; E90-Y160 VanDerWaalsContact CD-CE1 3.47Å; E90-Y160 HydrophobicContact CG-CD1 4.44Å; E90-Y160 HydrophobicContact CG-CD2 4.34Å; E90-Y160 HydrophobicContact CG-CE1 4.31Å; E90-Y160 HydrophobicContact CG-CE2 4.23Å; E90-Y160 HydrophobicContact CG-CG 4.42Å; E90-Y160 WeakPolarHBondContact OE1-CE1 3.46Å; E90-Y160 WeakPolarHBondContact OE2-CD1 3.37Å; Y160-Q162 PolarHBondContact O-N 3.4Å; Y160-I163 PolarHBondContact N-O 3.36Å; Y160-I163 WeakPolarHBondContact O-CA 3.45Å; Y160-I163 WeakPolarHBondContact O-CB 3.32Å; Y160-I163 PolarHBondContact O-N 2.76Å
161A79.9Confident88.3Confident70 Ų7044.8 Ų44.858%0.57924%0.235SC*.THydrogen-bonded Turntrans45.841.7177.800000114.3I163A161-I163 PolarHBondContact O-N 3.02Å
162Q76.9Confident88.3Confident191 Ų19144.6 Ų44.689%0.89323%0.233SC*.THydrogen-bonded Turntrans68.13.9-176.6-51.8175.5-15.800116Y160Y160-Q162 PolarHBondContact O-N 3.4Å
163I82.3Confident88.2Confident110 Ų11045.5 Ų45.556%0.56424%0.237SC*.EExtended strand (participates in β ladder)trans-90.2124.4171-57.7173.1000108.1T159 Y160 A161T159-I163 VanDerWaalsContact CA-O 3.3Å; T159-I163 WeakPolarHBondContact CA-O 3.46Å; Y160-I163 PolarHBondContact N-O 3.36Å; Y160-I163 WeakPolarHBondContact O-CA 3.45Å; Y160-I163 WeakPolarHBondContact O-CB 3.32Å; Y160-I163 PolarHBondContact O-N 2.76Å; A161-I163 PolarHBondContact O-N 3.02Å
164V84Confident88.1Confident68 Ų6844.3 Ų44.341%0.41223%0.23SC..EExtended strand (participates in β ladder)trans-105128.4171.6-173.90000108.2A157 F158 T159 F166A157-V164 HydrophobicContact CB-CG1 4.25Å; F158-V164 WeakPolarHBondContact O-CA 2.79Å; T159-V164 HydrophobicContact CG2-CG2 3.94Å; V164-F166 HydrophobicContact CG1-CD2 4.18Å; V164-F166 HydrophobicContact CG1-CE2 3.65Å; V164-F166 HydrophobicContact CG1-CZ 4.13Å
165S86.6Confident87.8Confident37 Ų3750 Ų5026%0.25925%0.254SS..EExtended strand (participates in β ladder)trans-126.7125.9177.7-77.10000109.6A157 F158A157-S165 VanDerWaalsContact CA-O 3.25Å; A157-S165 WeakPolarHBondContact CA-O 3.34Å; A157-S165 WeakPolarHBondContact CB-O 3.3Å; F158-S165 WeakPolarHBondContact CD1-O 3.47Å; F158-S165 PolarHBondContact N-O 3.16Å; F158-S165 PolarHBondContact O-N 3.19Å
166F86.9Confident87.3Confident99 Ų9950.6 Ų50.643%0.43426%0.261SS..EExtended strand (participates in β ladder)trans-92.6147.3-179.4-71.8-97.9000110.7Y97 Y155 A157 V164Y97-F166 AromaticContact CD2-CE1 3.8Å; Y97-F166 HydrophobicContact CD2-CE1 3.8Å; Y97-F166 AromaticContact CE2-CE1 3.94Å; Y97-F166 HydrophobicContact CE2-CE1 3.94Å; Y97-F166 HydrophobicContact CE2-CZ 4.3Å; Y97-F166 HydrophobicContact CG-CE1 4.37Å; Y155-F166 HydrophobicContact CG-CD1 4.4Å; A157-F166 HydrophobicContact CB-CD1 3.77Å; A157-F166 HydrophobicContact CB-CE1 3.94Å; A157-F166 HydrophobicContact CB-CG 4.11Å; A157-F166 HydrophobicContact CB-CZ 4.4Å; V164-F166 HydrophobicContact CG1-CD2 4.18Å; V164-F166 HydrophobicContact CG1-CE2 3.65Å; V164-F166 HydrophobicContact CG1-CZ 4.13Å
167S88.4Confident86.4Confident9 Ų954.5 Ų54.56%0.06329%0.286CS..  trans-69.4169.5160.455.70000111.7C156 G169C156-S167 PolarHBondContact N-OG 2.93Å; C156-S167 VanDerWaalsContact O-CB 3.29Å; C156-S167 WeakPolarHBondContact O-CB 3.44Å; C156-S167 PolarHBondContact O-N 2.83Å; C156-S167 PolarHBondContact O-OG 3.23Å; S167-G169 PolarHBondContact O-N 2.02Å
168E85.6Confident85.5Confident105 Ų10561.4 Ų61.449%0.49132%0.323SS..  trans-59.7-25.5174.4-61.6-178.2161.500113.1S69S69-E168 WeakPolarHBondContact CB-OE2 3.16Å; S69-E168 PolarHBondContact N-OE2 3.06Å
169G89.4Confident84.7Confident2 Ų262.1 Ų62.12%0.02133%0.329CS..  trans84.7156.9-178.600000113.5S69 Y154 S167S69-G169 WeakPolarHBondContact CA-O 3.07Å; Y154-G169 CarbonylContact O-C 3.49Å; Y154-G169 WeakPolarHBondContact O-CA 3.24Å; S167-G169 PolarHBondContact O-N 2.02Å
170A91.9Very high83.5Confident0 Ų068.3 Ų68.30%036%0.361CS..EExtended strand (participates in β ladder)trans-121125174.900000109.6L67 S70 L82 T153 Y154L67-A170 HydrophobicContact CD1-CB 4.31Å; L67-A170 HydrophobicContact CD2-CB 4.08Å; L67-A170 HydrophobicContact CG-CB 4.34Å; S70-A170 WeakPolarHBondContact OG-CB 3.38Å; L82-A170 HydrophobicContact CD2-CB 3.85Å; T153-A170 WeakPolarHBondContact CA-O 2.99Å; Y154-A170 PolarHBondContact N-O 3.12Å; Y154-A170 PolarHBondContact O-N 2.7Å
171T91.4Very high82.7Confident24 Ų2466.3 Ų66.315%0.14736%0.357CS..EExtended strand (participates in β ladder)trans-89.1117.7177.1-55.90000109.1S70 F71 I72 T153 I173S70-T171 PolarHBondContact O-N 3.08Å; F71-T171 WeakPolarHBondContact CA-O 3.5Å; F71-T171 HydrophobicContact CD1-CG2 4Å; F71-T171 HydrophobicContact CE1-CG2 3.89Å; I72-T171 PolarHBondContact N-O 3.24Å; T153-T171 PolarHBondContact OG1-OG1 3.33Å; T171-I173 HydrophobicContact CG2-CG1 4.19Å
172V93.3Very high82.1Confident1 Ų172.9 Ų72.91%0.00637%0.366CS..EExtended strand (participates in β ladder)trans-105.1126.4176.4-177.60000108.4I72 V80 L82 S151 A152 Y154 I174I72-V172 HydrophobicContact CB-CG2 4.48Å; I72-V172 CarbonylContact O-C 3.58Å; I72-V172 WeakPolarHBondContact O-CA 3.34Å; V80-V172 HydrophobicContact CG1-CG1 4.33Å; V80-V172 HydrophobicContact CG2-CG2 4.4Å; L82-V172 HydrophobicContact CD1-CG2 4.29Å; L82-V172 HydrophobicContact CD2-CG2 3.93Å; S151-V172 CarbonylContact C-O 3.6Å; S151-V172 VanDerWaalsContact CA-O 3.25Å; S151-V172 WeakPolarHBondContact CA-O 2.85Å; A152-V172 PolarHBondContact N-O 2.96Å; A152-V172 PolarHBondContact O-N 3.27Å; Y154-V172 HydrophobicContact CD2-CB 4.17Å; Y154-V172 HydrophobicContact CD2-CG2 3.8Å; Y154-V172 HydrophobicContact CE2-CB 3.98Å; Y154-V172 HydrophobicContact CE2-CG2 4.03Å; V172-I174 HydrophobicContact CG1-CD1 3.64Å
173I90.8Very high82.1Confident23 Ų2364.3 Ų64.312%0.11833%0.327CS..EExtended strand (participates in β ladder)trans-119.4118.3178-56.4171.6000107.9I72 S73 A74 T171 F280I72-I173 PolarHBondContact O-N 2.93Å; S73-I173 WeakPolarHBondContact CA-O 3.39Å; A74-I173 PolarHBondContact N-O 3.17Å; T171-I173 HydrophobicContact CG2-CG1 4.19Å; I173-F280 HydrophobicContact CD1-CD2 4.07Å; I173-F280 HydrophobicContact CD1-CE2 3.53Å; I173-F280 HydrophobicContact CD1-CZ 4.5Å
174I91.3Very high82.1Confident2 Ų261.4 Ų61.41%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-88.6130.4176.9-46.3-52.6000108.4A74 V76 L146 K147 M148 D150 S151 V172A74-I174 HydrophobicContact CB-CD1 4.16Å; A74-I174 CarbonylContact O-C 3.58Å; A74-I174 VanDerWaalsContact O-CA 3.27Å; A74-I174 WeakPolarHBondContact O-CA 3.48Å; V76-I174 HydrophobicContact CG2-CG2 3.95Å; L146-I174 HydrophobicContact CB-CD1 4.01Å; L146-I174 HydrophobicContact CB-CG1 4.44Å; L146-I174 HydrophobicContact CB-CG2 4.26Å; L146-I174 HydrophobicContact CD1-CD1 3.79Å; L146-I174 HydrophobicContact CD2-CD1 3.92Å; L146-I174 HydrophobicContact CG-CD1 4.11Å; K147-I174 WeakPolarHBondContact O-CG1 3.25Å; M148-I174 HydrophobicContact CE-CB 3.76Å; M148-I174 HydrophobicContact CE-CG2 3.41Å; M148-I174 VanDerWaalsContact CE-CG2 3.41Å; M148-I174 WeakPolarHBondContact CE-O 3.06Å; D150-I174 HydrophobicContact CB-CG1 4.34Å; S151-I174 PolarHBondContact OG-N 3.3Å; V172-I174 HydrophobicContact CG1-CD1 3.64Å
175K87.7Confident82.2Confident119 Ų11959.1 Ų59.152%0.51730%0.303SS..EExtended strand (participates in β ladder)trans-112.6141.1176.8-65.3-174-178.3167.70109.7S73 A74 P75 V76 P177S73-K175 VanDerWaalsContact OG-CD 3.25Å; S73-K175 WeakPolarHBondContact OG-CD 3.49Å; S73-K175 WeakPolarHBondContact OG-CE 3.12Å; S73-K175 PolarHBondContact OG-NZ 2.85Å; A74-K175 PolarHBondContact O-N 2.88Å; P75-K175 CarbonylContact C-O 3.53Å; P75-K175 VanDerWaalsContact CA-O 3.24Å; P75-K175 WeakPolarHBondContact CA-O 3.39Å; V76-K175 PolarHBondContact N-O 2.79Å; K175-P177 WeakPolarHBondContact O-CD 3.42Å
176D83.6Confident82.2Confident60 Ų6062.8 Ų62.832%0.32132%0.319SS..  trans-100.8105.2168.4-169.7-12.3000107.9V76 M148 D178 S179V76-D176 HydrophobicContact CG2-CB 3.99Å; M148-D176 HydrophobicContact CE-CB 4.09Å; D176-D178 PolarHBondContact O-N 2.82Å; D176-D178 PolarHBondContact OD1-N 3.07Å; D176-D178 VanDerWaalsContact OD1-N 3.16Å; D176-S179 PolarHBondContact O-N 3.01Å
177P73.8Confident82.3Confident83 Ų8358.9 Ų58.954%0.53930%0.302SS..THydrogen-bonded Turntrans-66.6-25.9-178.726.3-31.3000112.7K175 S179K175-P177 WeakPolarHBondContact O-CD 3.42Å; P177-S179 VanDerWaalsContact C-N 3.33Å
178D72.3Confident81.8Confident145 Ų14561 Ų6178%0.77532%0.317SS*.THydrogen-bonded Turntrans-91.41-177.3-60.4-35.9000112.3D176D176-D178 PolarHBondContact O-N 2.82Å; D176-D178 PolarHBondContact OD1-N 3.07Å; D176-D178 VanDerWaalsContact OD1-N 3.16Å
179S71.6Confident81.3Confident25 Ų2564.7 Ų64.718%0.17533%0.334CS..  trans-81.3120.6175.9-177.30000111.6D176 P177 I181D176-S179 PolarHBondContact O-N 3.01Å; P177-S179 VanDerWaalsContact C-N 3.33Å; S179-I181 PolarHBondContact O-N 2.96Å; S179-I181 PolarHBondContact OG-N 2.86Å
180D63Low80.3Confident167 Ų16766.1 Ų66.189%0.89334%0.343SS*.  trans-69-10.1171.2-73.6-32.2000113.1R182D180-R182 PolarHBondContact O-N 2.78Å
181I65.6Low78.9Confident53 Ų5374.4 Ų74.427%0.27238%0.382SS..  trans-91.1101.3-177.4-55.1177.5000108.7S179 P183 C210 F274 Q277S179-I181 PolarHBondContact O-N 2.96Å; S179-I181 PolarHBondContact OG-N 2.86Å; I181-P183 WeakPolarHBondContact O-CD 3.27Å; I181-C210 HydrophobicContact CD1-CB 4.43Å; I181-F274 HydrophobicContact CG2-CD1 4.29Å; I181-F274 HydrophobicContact CG2-CE1 3.81Å; I181-Q277 PolarHBondContact O-OE1 3.47Å
182R68.8Low77.9Confident207 Ų20776.8 Ų76.878%0.78140%0.4SS*.  trans-113.194.8173.3-65.5-175-177.4-172.61.6109.8D180 S184D180-R182 PolarHBondContact O-N 2.78Å; R182-S184 PolarHBondContact O-N 2.85Å
183P75.2Confident77.3Confident11 Ų1177.4 Ų77.47%0.07140%0.403CS..  trans-65129174.823.9-26.3000108.9I181 Q206 T207 F274 V279I181-P183 WeakPolarHBondContact O-CD 3.27Å; P183-Q206 VanDerWaalsContact CA-O 3.24Å; P183-Q206 WeakPolarHBondContact CA-O 3.33Å; P183-T207 HydrophobicContact CB-CG2 3.95Å; P183-F274 HydrophobicContact CB-CD1 4.43Å; P183-F274 HydrophobicContact CG-CD1 4.39Å; P183-V279 HydrophobicContact CG-CG2 3.75Å
184S82.1Confident76.9Confident50 Ų5082.9 Ų82.935%0.3542%0.422SS..EExtended strand (participates in β ladder)trans-102141.4177.377.70000109.5R182 V205 Q206R182-S184 PolarHBondContact O-N 2.85Å; S184-V205 WeakPolarHBondContact O-CA 3.35Å; S184-Q206 PolarHBondContact N-O 3.11Å; S184-Q206 PolarHBondContact O-N 3.24Å; S184-Q206 WeakPolarHBondContact OG-CB 3.38Å; S184-Q206 PolarHBondContact OG-OE1 3.46Å
185V86.4Confident76.6Confident19 Ų1985.7 Ų85.712%0.11544%0.441CS..EExtended strand (participates in β ladder)trans-124.3116.3180-177.70000108.6Q187 C203 V205 C270 V272 V279V185-Q187 HydrophobicContact CG1-CG 4.49Å; V185-C203 WeakPolarHBondContact CG1-SG 3.45Å; V185-V205 HydrophobicContact CG2-CG1 4.48Å; V185-C270 HydrophobicContact CG1-CB 4.29Å; V185-V272 HydrophobicContact CG2-CB 4.28Å; V185-V272 HydrophobicContact CG2-CG2 3.67Å; V185-V279 HydrophobicContact CG2-CB 4.32Å; V185-V279 HydrophobicContact CG2-CG1 3.82Å
186L87.3Confident76.3Confident114 Ų11482.4 Ų82.460%0.59744%0.44SS*.EExtended strand (participates in β ladder)trans-110119.3174.5178.965.5000109.2S204L186-S204 PolarHBondContact N-O 3.08Å; L186-S204 PolarHBondContact O-N 2.75Å
187Q87.9Confident76.4Confident17 Ų1782.8 Ų82.88%0.07944%0.442CS..EExtended strand (participates in β ladder)trans-102137.3173.3-70.6-172.3-117.200110.2V185 Y268 C270 G281 T284V185-Q187 HydrophobicContact CG1-CG 4.49Å; Q187-Y268 PolarHBondContact NE2-O 3.3Å; Q187-C270 HydrophobicContact CG-CB 3.91Å; Q187-G281 VanDerWaalsContact OE1-C 3.28Å; Q187-G281 VanDerWaalsContact OE1-CA 3.3Å; Q187-T284 WeakPolarHBondContact CB-OG1 3.39Å; Q187-T284 PolarHBondContact NE2-OG1 3.16Å
188S79.9Confident77.1Confident54 Ų5482.3 Ų82.338%0.37845%0.446SS..PPolyproline II helixtrans-72.3143.4172.4-54.30000110.8N202 T284S188-N202 PolarHBondContact N-O 3.06Å; S188-N202 VanDerWaalsContact N-O 3.13Å; S188-T284 WeakPolarHBondContact O-CG2 3.22Å; S188-T284 PolarHBondContact O-OG1 2.85Å
189E74.9Confident78Confident183 Ų18376.6 Ų76.686%0.85542%0.416SS*.PPolyproline II helixtrans-81.8130.9168.1-70.4-172.116500109.2
190P67.7Low78.9Confident31 Ų3179.1 Ų79.120%0.20143%0.43CS..PPolyproline II helixtrans-83.1143.8177.234.6-23.7000108.9V199 L201 T284 R285 L286P190-V199 HydrophobicContact CB-CG2 4.44Å; P190-L201 HydrophobicContact CB-CD2 4.12Å; P190-L201 HydrophobicContact CG-CD2 4.45Å; P190-T284 HydrophobicContact CB-CG2 4.31Å; P190-T284 HydrophobicContact CG-CG2 3.48Å; P190-T284 VanDerWaalsContact CG-CG2 3.48Å; P190-R285 WeakPolarHBondContact CG-O 3.42Å; P190-L286 HydrophobicContact CB-CD1 4.42Å; P190-L286 HydrophobicContact CG-CD1 4.37Å
191E63.2Low80.2Confident174 Ų17471.3 Ų71.381%0.81339%0.388SS*.PPolyproline II helixtrans-65.3154.2166.1-149.9168.6-173.600109.4V193E191-V193 WeakPolarHBondContact O-CG2 3.46Å; E191-V193 PolarHBondContact O-N 2.82Å
192S69.1Low81.4Confident75 Ų7571.2 Ų71.252%0.52439%0.389SS..PPolyproline II helixtrans-59.4128.4177.456.70000110.6
193V81.5Confident82.4Confident13 Ų1361.4 Ų61.48%0.07935%0.352CS..BIsolated β-bridgetrans-110.6149.7-170-170.60000111E191 D197 V199 L260 L286 T287 L288 M289E191-V193 WeakPolarHBondContact O-CG2 3.46Å; E191-V193 PolarHBondContact O-N 2.82Å; V193-D197 HydrophobicContact CG1-CB 3.36Å; V193-D197 WeakPolarHBondContact CG1-OD2 3.33Å; V193-V199 HydrophobicContact CG2-CB 4.33Å; V193-V199 HydrophobicContact CG2-CG2 4.26Å; V193-L260 HydrophobicContact CB-CD1 4.43Å; V193-L260 HydrophobicContact CG1-CD1 3.78Å; V193-L286 HydrophobicContact CB-CD1 4.31Å; V193-L286 HydrophobicContact CG2-CD1 3.79Å; V193-T287 PolarHBondContact N-O 3.44Å; V193-L288 HydrophobicContact CB-CD2 4.02Å; V193-L288 HydrophobicContact CG1-CD2 4.29Å; V193-L288 WeakPolarHBondContact O-CA 3.36Å; V193-L288 WeakPolarHBondContact O-CD2 3.4Å; V193-M289 PolarHBondContact O-N 3.42Å
194R82.3Confident83Confident139 Ų13962.3 Ų62.353%0.52536%0.358SS..  trans-88.3152.4173.1-63.3-172.5175.695.40.3111G196 D197 E291R194-G196 PolarHBondContact O-N 2.73Å; R194-D197 WeakPolarHBondContact CB-OD2 3.43Å; R194-D197 PolarHBondContact N-OD2 2.87Å; R194-D197 WeakPolarHBondContact O-CB 3.33Å; R194-D197 PolarHBondContact O-N 2.79Å; R194-E291 IonicContact NE-OE1 3.1Å
195P83.8Confident83.3Confident61 Ų6160 Ų6040%0.39634%0.342SS..THydrogen-bonded Turntrans-55.8135.7168.2-23.633.8000111.3L260 M289P195-L260 CarbonylContact C-O 3.53Å; P195-L260 VanDerWaalsContact CA-O 3.32Å; P195-L260 WeakPolarHBondContact CA-O 3.48Å; P195-M289 WeakPolarHBondContact CD-O 3.47Å
196G81.9Confident83.2Confident49 Ų4963.6 Ų63.651%0.50536%0.358SS..THydrogen-bonded Turntrans91.4-11.7-176.800000115.1R194 L260R194-G196 PolarHBondContact O-N 2.73Å; G196-L260 PolarHBondContact N-O 2.89Å
197D86.6Confident82.7Confident68 Ų6858.3 Ų58.336%0.36433%0.33SS..  trans-74.6166.8176.8-67.2-18.5000111.9V193 R194 D259 L260V193-D197 HydrophobicContact CG1-CB 3.36Å; V193-D197 WeakPolarHBondContact CG1-OD2 3.33Å; R194-D197 WeakPolarHBondContact CB-OD2 3.43Å; R194-D197 PolarHBondContact N-OD2 2.87Å; R194-D197 WeakPolarHBondContact O-CB 3.33Å; R194-D197 PolarHBondContact O-N 2.79Å; D197-D259 PolarHBondContact O-N 2.9Å; D197-L260 WeakPolarHBondContact O-CG 3.25Å; D197-L260 PolarHBondContact O-N 3.44Å
198A89Confident82Confident74 Ų7458.3 Ų58.361%0.61234%0.335SS*.  trans-112.5135.9168.500000110.3L257 K258A198-L257 CarbonylContact C-O 3.57Å; A198-L257 VanDerWaalsContact CA-O 3.25Å; A198-L257 WeakPolarHBondContact CA-O 3.42Å; A198-K258 HydrophobicContact CB-CG 4.16Å
199V89.8Confident81.4Confident25 Ų2559.7 Ų59.715%0.15234%0.344CS..EExtended strand (participates in β ladder)trans-131.5147177.274.20000109.5P190 V193 L201 L257 L260 L286P190-V199 HydrophobicContact CB-CG2 4.44Å; V193-V199 HydrophobicContact CG2-CB 4.33Å; V193-V199 HydrophobicContact CG2-CG2 4.26Å; V199-L201 HydrophobicContact CG1-CD2 4.35Å; V199-L201 HydrophobicContact CG2-CD2 4.4Å; V199-L257 HydrophobicContact CG1-CB 4.07Å; V199-L257 HydrophobicContact CG1-CD1 4.06Å; V199-L257 PolarHBondContact N-O 3.31Å; V199-L257 PolarHBondContact O-N 2.87Å; V199-L257 VanDerWaalsContact O-O 3.08Å; V199-L260 HydrophobicContact CB-CD1 4.39Å; V199-L260 HydrophobicContact CG1-CD1 3.84Å; V199-L286 HydrophobicContact CG1-CD1 4.23Å
200T90.2Very high81Confident77 Ų7751.5 Ų51.547%0.47231%0.307SS..EExtended strand (participates in β ladder)trans-116.1120.2174.1-60.40000109.3L255T200-L255 WeakPolarHBondContact CA-O 3.38Å
201L91Very high80.6Confident3 Ų354.4 Ų54.42%0.01634%0.342CS..EExtended strand (participates in β ladder)trans-89.4129.1175.9-53.6-174.5000109.3P190 V199 W218 S254 L255 L257 Y268 T284P190-L201 HydrophobicContact CB-CD2 4.12Å; P190-L201 HydrophobicContact CG-CD2 4.45Å; V199-L201 HydrophobicContact CG1-CD2 4.35Å; V199-L201 HydrophobicContact CG2-CD2 4.4Å; L201-W218 HydrophobicContact CB-CH2 3.78Å; L201-W218 HydrophobicContact CB-CZ2 4.46Å; L201-W218 HydrophobicContact CB-CZ3 4.09Å; L201-W218 HydrophobicContact CD1-CZ3 4.26Å; L201-S254 CarbonylContact O-C 3.59Å; L201-S254 VanDerWaalsContact O-CA 3.31Å; L201-S254 WeakPolarHBondContact O-CA 3.31Å; L201-L255 HydrophobicContact CB-CB 4.41Å; L201-L255 PolarHBondContact N-O 2.88Å; L201-L255 PolarHBondContact O-N 2.59Å; L201-L257 HydrophobicContact CD1-CD1 3.98Å; L201-L257 HydrophobicContact CG-CD1 4.19Å; L201-Y268 HydrophobicContact CD1-CD1 3.92Å; L201-Y268 HydrophobicContact CD1-CD2 4.05Å; L201-Y268 HydrophobicContact CD1-CG 3.58Å; L201-T284 HydrophobicContact CD1-CG2 4.01Å; L201-T284 HydrophobicContact CD2-CG2 3.65Å; L201-T284 HydrophobicContact CG-CG2 4.34Å
202N90.5Very high80.6Confident52 Ų5247.5 Ų47.528%0.27832%0.318SS..EExtended strand (participates in β ladder)trans-107.7137.1180-67.7-33000111S188 V252 S254S188-N202 PolarHBondContact N-O 3.06Å; S188-N202 VanDerWaalsContact N-O 3.13Å; N202-V252 HydrophobicContact CB-CG1 4.27Å; N202-S254 WeakPolarHBondContact OD1-CB 3.25Å; N202-S254 PolarHBondContact OD1-OG 3.4Å
203C89.9Confident80.6Confident0 Ų051.5 Ų51.50%033%0.328CS..EExtended strand (participates in β ladder)trans-122.8107.5173.8177.40000108.7V185 W218 V252 Y253 C270V185-C203 WeakPolarHBondContact CG1-SG 3.45Å; C203-W218 HydrophobicContact CB-CH2 3.85Å; C203-W218 HydrophobicContact CB-CZ2 3.46Å; C203-W218 VanDerWaalsContact CB-CZ2 3.46Å; C203-V252 WeakPolarHBondContact O-CA 3.46Å; C203-Y253 PolarHBondContact N-O 2.85Å; C203-Y253 PolarHBondContact O-N 2.77Å; C203-C270 HydrophobicContact CB-CB 3.57Å; C203-C270 WeakPolarHBondContact CB-SG 3.46Å; C203-C270 WeakPolarHBondContact SG-CB 3.45Å; C203-C270 CovalentContact SG-SG 2.03Å; C203-C270 PolarHBondContact SG-SG 3.22Å
204S88.8Confident80.5Confident31 Ų3151.2 Ų51.222%0.21733%0.326CS..EExtended strand (participates in β ladder)trans-91.9122.5175.8-580000109.1L186 C251L186-S204 PolarHBondContact N-O 3.08Å; L186-S204 PolarHBondContact O-N 2.75Å; S204-C251 CarbonylContact C-O 3.54Å; S204-C251 WeakPolarHBondContact CA-O 3.48Å
205V87Confident80.7Confident0 Ų045.7 Ų45.70%031%0.309CS..EExtended strand (participates in β ladder)trans-116.7120.5-176.9-171.10000108.3S184 V185 T207 T250 C251 Y253 V272S184-V205 WeakPolarHBondContact O-CA 3.35Å; V185-V205 HydrophobicContact CG2-CG1 4.48Å; V205-T207 HydrophobicContact CG1-CG2 3.52Å; V205-T250 WeakPolarHBondContact O-CA 3.49Å; V205-C251 PolarHBondContact N-O 2.92Å; V205-C251 PolarHBondContact O-N 3.39Å; V205-Y253 HydrophobicContact CB-CE2 4.42Å; V205-Y253 HydrophobicContact CG2-CD2 3.87Å; V205-Y253 HydrophobicContact CG2-CE2 4.03Å; V205-V272 HydrophobicContact CB-CG2 4.49Å; V205-V272 HydrophobicContact CG1-CB 4.49Å; V205-V272 HydrophobicContact CG1-CG1 3.97Å; V205-V272 HydrophobicContact CG1-CG2 4.03Å; V205-V272 HydrophobicContact CG2-CG2 3.58Å
206Q84.3Confident80.9Confident96 Ų9642.8 Ų42.845%0.44929%0.29SS..EExtended strand (participates in β ladder)trans-100.1120.9169.8-59.5178.8-31.400108.8P183 S184 H249 T250P183-Q206 VanDerWaalsContact CA-O 3.24Å; P183-Q206 WeakPolarHBondContact CA-O 3.33Å; S184-Q206 PolarHBondContact N-O 3.11Å; S184-Q206 PolarHBondContact O-N 3.24Å; S184-Q206 WeakPolarHBondContact OG-CB 3.38Å; S184-Q206 PolarHBondContact OG-OE1 3.46Å; Q206-H249 WeakPolarHBondContact CA-O 3.49Å; Q206-T250 HydrophobicContact CG-CG2 4.14Å
207T78.1Confident81.3Confident3 Ų341.8 Ų41.82%0.01827%0.271CS..EExtended strand (participates in β ladder)trans-126.7150.8-179.661.70000110.9P183 V205 Q214 T248 H249 F274P183-T207 HydrophobicContact CB-CG2 3.95Å; V205-T207 HydrophobicContact CG1-CG2 3.52Å; T207-Q214 PolarHBondContact OG1-OE1 3.2Å; T207-T248 CarbonylContact O-C 3.5Å; T207-T248 VanDerWaalsContact O-CA 3.28Å; T207-T248 WeakPolarHBondContact O-CA 3.27Å; T207-H249 PolarHBondContact N-O 3.08Å; T207-H249 PolarHBondContact O-N 2.77Å; T207-F274 HydrophobicContact CG2-CD1 4.18Å; T207-F274 HydrophobicContact CG2-CD2 4.09Å; T207-F274 HydrophobicContact CG2-CE1 4.39Å; T207-F274 HydrophobicContact CG2-CE2 4.31Å; T207-F274 HydrophobicContact CG2-CG 4.01Å; T207-F274 HydrophobicContact CG2-CZ 4.45Å
208G73.4Confident81.5Confident17 Ų1738.6 Ų38.618%0.17525%0.254CS..  trans-76.3-177.5170.900000112.3C210 F274G208-C210 PolarHBondContact O-N 3.06Å; G208-F274 VanDerWaalsContact O-CZ 3.25Å; G208-F274 WeakPolarHBondContact O-CZ 3.5Å
209S67.3Low81.6Confident82 Ų8236.9 Ų36.957%0.57323%0.233SC*.  trans-80.4101172.6-1790000110.5P247S209-P247 PolarHBondContact N-O 3.1Å
210C66Low81.6Confident11 Ų1138 Ų387%0.07424%0.235CC..  trans-129143.3170.81160000110.3I181 G208 G212 R237 F274 C275I181-C210 HydrophobicContact CD1-CB 4.43Å; G208-C210 PolarHBondContact O-N 3.06Å; C210-G212 PolarHBondContact O-N 3.48Å; C210-R237 PolarHBondContact O-NH2 2.85Å; C210-F274 HydrophobicContact CB-CE1 3.73Å; C210-F274 HydrophobicContact CB-CE2 4.21Å; C210-F274 HydrophobicContact CB-CZ 3.4Å; C210-F274 VanDerWaalsContact CB-CZ 3.4Å; C210-F274 VanDerWaalsContact SG-CE1 3.56Å; C210-F274 VanDerWaalsContact SG-CE2 3.51Å; C210-F274 WeakPolarHBondContact SG-CZ 3.47Å; C210-C275 HydrophobicContact CB-CB 4.08Å; C210-C275 WeakPolarHBondContact CB-SG 3.39Å; C210-C275 WeakPolarHBondContact SG-CB 3.25Å; C210-C275 CovalentContact SG-SG 2.02Å; C210-C275 PolarHBondContact SG-SG 3.38Å
211G58.4Low81.5Confident92 Ų9238.6 Ų38.695%0.94823%0.231SC*.SBendtrans-75.20.5-173.400000115.1
212G63.8Low81.1Confident29 Ų2940.7 Ų40.730%0.29925%0.246SC..SBendtrans-81.1154178.200000113.6C210 R237C210-G212 PolarHBondContact O-N 3.48Å; G212-R237 PolarHBondContact O-NH2 2.82Å; G212-R237 VanDerWaalsContact O-NH2 3.16Å
213E68.9Low80.2Confident159 Ų15946.4 Ų46.474%0.74327%0.271SS*.PPolyproline II helixtrans-67.7130.8168-72.2-174.4171.500110.1
214Q79.2Confident79Confident7 Ų755.9 Ų55.93%0.03332%0.315CS..PPolyproline II helixtrans-91.8126.5175.5-178174.2-40.100108.8T207 Y253 V272 F274T207-Q214 PolarHBondContact OG1-OE1 3.2Å; Q214-Y253 VanDerWaalsContact NE2-CE2 3.31Å; Q214-Y253 PolarHBondContact NE2-OH 2.9Å; Q214-V272 HydrophobicContact CG-CG1 4.22Å; Q214-F274 HydrophobicContact CB-CD2 4Å; Q214-F274 HydrophobicContact CG-CD2 4.15Å
215S85.9Confident77.8Confident24 Ų2457 Ų5717%0.16832%0.323CS..EExtended strand (participates in β ladder)trans-126.1137.5178.5-66.80000110.4S273S215-S273 PolarHBondContact N-O 2.68Å; S215-S273 VanDerWaalsContact N-O 3.12Å; S215-S273 PolarHBondContact O-N 2.97Å
216V88.4Confident76.8Confident0 Ų061.7 Ų61.70%034%0.344CS..EExtended strand (participates in β ladder)trans-119.6135.1-179-178.20000110.2H233 Y253 C270 V271 V272V216-H233 HydrophobicContact CB-CB 4.28Å; V216-H233 PolarHBondContact N-O 3.33Å; V216-H233 VanDerWaalsContact N-O 3.08Å; V216-H233 PolarHBondContact O-N 2.85Å; V216-Y253 HydrophobicContact CB-CD1 4.19Å; V216-Y253 HydrophobicContact CB-CD2 4.32Å; V216-Y253 HydrophobicContact CB-CE1 4.45Å; V216-Y253 HydrophobicContact CB-CG 4.1Å; V216-Y253 HydrophobicContact CG1-CD2 4.44Å; V216-Y253 HydrophobicContact CG1-CG 4.21Å; V216-Y253 HydrophobicContact CG2-CD1 3.99Å; V216-Y253 HydrophobicContact CG2-CD2 3.54Å; V216-Y253 HydrophobicContact CG2-CE1 3.91Å; V216-Y253 HydrophobicContact CG2-CE2 3.45Å; V216-Y253 VanDerWaalsContact CG2-CE2 3.45Å; V216-Y253 HydrophobicContact CG2-CG 3.79Å; V216-C270 WeakPolarHBondContact CG1-SG 3.12Å; V216-V271 WeakPolarHBondContact CA-O 3.41Å; V216-V272 HydrophobicContact CG1-CG2 4.46Å; V216-V272 HydrophobicContact CG2-CG1 4.36Å; V216-V272 HydrophobicContact CG2-CG2 4.09Å
217Y90.6Very high76.5Confident28 Ų2859.5 Ų59.511%0.1134%0.339CS..EExtended strand (participates in β ladder)trans-124.6132.6-175.1-55.4-93.4000108.6L101 L229 T232 V271L101-Y217 HydrophobicContact CD1-CG 4.42Å; L101-Y217 HydrophobicContact CD2-CD2 3.42Å; L101-Y217 VanDerWaalsContact CD2-CD2 3.42Å; L101-Y217 HydrophobicContact CD2-CE2 3.59Å; L101-Y217 HydrophobicContact CD2-CG 4.05Å; L101-Y217 HydrophobicContact CG-CD1 4.24Å; L101-Y217 HydrophobicContact CG-CD2 3.79Å; L101-Y217 HydrophobicContact CG-CE1 4.29Å; L101-Y217 HydrophobicContact CG-CE2 3.81Å; L101-Y217 HydrophobicContact CG-CG 4.02Å; L101-Y217 PolarHBondContact O-OH 3.1Å; Y217-L229 HydrophobicContact CD1-CD1 3.99Å; Y217-L229 HydrophobicContact CG-CD1 4.39Å; Y217-T232 HydrophobicContact CD1-CG2 3.65Å; Y217-T232 HydrophobicContact CE1-CG2 4Å; Y217-V271 WeakPolarHBondContact CD2-O 3.49Å; Y217-V271 PolarHBondContact N-O 2.84Å; Y217-V271 PolarHBondContact O-N 2.86Å
218W91.6Very high76.7Confident1 Ų161 Ų610%0.00436%0.355CS..EExtended strand (participates in β ladder)trans-103.7124172.5-75.990.8000109.6L201 C203 I230 Y231 L255 Y269 C270L201-W218 HydrophobicContact CB-CH2 3.78Å; L201-W218 HydrophobicContact CB-CZ2 4.46Å; L201-W218 HydrophobicContact CB-CZ3 4.09Å; L201-W218 HydrophobicContact CD1-CZ3 4.26Å; C203-W218 HydrophobicContact CB-CH2 3.85Å; C203-W218 HydrophobicContact CB-CZ2 3.46Å; C203-W218 VanDerWaalsContact CB-CZ2 3.46Å; W218-I230 HydrophobicContact CB-CD1 4.16Å; W218-I230 HydrophobicContact CB-CG1 3.83Å; W218-I230 WeakPolarHBondContact O-CG1 3.47Å; W218-I230 PolarHBondContact O-N 3.07Å; W218-Y231 PolarHBondContact N-O 2.88Å; W218-Y231 PolarHBondContact O-N 3.13Å; W218-L255 HydrophobicContact CB-CD2 3.97Å; W218-L255 HydrophobicContact CD2-CB 3.97Å; W218-L255 HydrophobicContact CD2-CD2 3.79Å; W218-L255 HydrophobicContact CD2-CG 4.47Å; W218-L255 HydrophobicContact CE3-CD2 3.96Å; W218-L255 HydrophobicContact CG-CB 4.2Å; W218-L255 HydrophobicContact CG-CD2 3.82Å; W218-L255 HydrophobicContact CG-CG 4.43Å; W218-L255 HydrophobicContact CZ2-CB 4.08Å; W218-Y269 WeakPolarHBondContact CA-O 3.34Å; W218-C270 HydrophobicContact CD2-CB 4.4Å; W218-C270 HydrophobicContact CE3-CB 4.25Å; W218-C270 HydrophobicContact CH2-CB 4.02Å; W218-C270 HydrophobicContact CZ2-CB 4.16Å; W218-C270 HydrophobicContact CZ3-CB 4.05Å
219F90.3Very high77.2Confident37 Ų3764 Ų6416%0.16237%0.366CS..EExtended strand (participates in β ladder)trans-108.8145174.2-74-97.8000110.2L101 P227 G228 L229 Y268 Y269 V271L101-F219 HydrophobicContact CD1-CE2 3.76Å; L101-F219 HydrophobicContact CD1-CZ 3.57Å; F219-P227 HydrophobicContact CB-CB 4.18Å; F219-P227 HydrophobicContact CD1-CB 4.25Å; F219-G228 CarbonylContact C-O 3.49Å; F219-G228 WeakPolarHBondContact CA-O 3.37Å; F219-L229 HydrophobicContact CD1-CB 4.25Å; F219-L229 HydrophobicContact CD2-CD1 4.28Å; F219-L229 HydrophobicContact CE1-CB 3.82Å; F219-L229 HydrophobicContact CE1-CD1 4.34Å; F219-L229 HydrophobicContact CE2-CD1 3.84Å; F219-L229 HydrophobicContact CZ-CB 4.12Å; F219-L229 HydrophobicContact CZ-CD1 3.87Å; F219-Y268 CarbonylContact O-C 3.53Å; F219-Y268 VanDerWaalsContact O-CA 3.3Å; F219-Y268 WeakPolarHBondContact O-CA 3.05Å; F219-Y269 PolarHBondContact N-O 2.63Å; F219-Y269 PolarHBondContact O-N 2.94Å; F219-V271 HydrophobicContact CD2-CB 4.14Å; F219-V271 HydrophobicContact CD2-CG2 3.57Å; F219-V271 HydrophobicContact CE2-CB 4.16Å; F219-V271 HydrophobicContact CE2-CG2 3.99Å
220R90.3Very high78.3Confident49 Ų4963.7 Ų63.719%0.18536%0.357CS..EExtended strand (participates in β ladder)trans-118.6123.4173.1-176.1-178.3172.1-143.7-23.3109.9P227 G228 I230 S263 D264 A265 Y268R220-P227 CarbonylContact O-C 3.57Å; R220-P227 WeakPolarHBondContact O-CA 3.49Å; R220-G228 PolarHBondContact N-O 3.01Å; R220-G228 PolarHBondContact O-N 3.2Å; R220-I230 HydrophobicContact CB-CD1 4.2Å; R220-I230 HydrophobicContact CB-CG1 4.46Å; R220-I230 HydrophobicContact CB-CG2 3.71Å; R220-S263 PolarHBondContact NH1-O 3.34Å; R220-S263 PolarHBondContact NH2-O 3.03Å; R220-D264 VanDerWaalsContact CZ-CA 3.46Å; R220-D264 PolarHBondContact NE-O 2.85Å; R220-D264 IonicContact NH1-OD1 3.91Å; R220-D264 VanDerWaalsContact NH2-C 3.26Å; R220-D264 PolarHBondContact NH2-O 2.92Å; R220-A265 PolarHBondContact NH2-O 3.16Å; R220-Y268 HydrophobicContact CB-CD1 4.28Å; R220-Y268 HydrophobicContact CB-CE1 4.19Å; R220-Y268 WeakPolarHBondContact CD-OH 2.94Å; R220-Y268 HydrophobicContact CG-CD1 4.3Å; R220-Y268 HydrophobicContact CG-CE1 3.94Å; R220-Y268 HydrophobicContact CG-CE2 4.32Å; R220-Y268 PolarHBondContact NE-OH 2.94Å
221K87Confident79.2Confident90 Ų9068 Ų6839%0.39137%0.373SS..EExtended strand (participates in β ladder)trans-103.3115.1171.8-171.6-179.4178.5-179.10109.5P227 G266 T267 Y269K221-P227 HydrophobicContact CB-CB 4.28Å; K221-P227 HydrophobicContact CB-CG 4.11Å; K221-P227 HydrophobicContact CD-CG 4.22Å; K221-P227 HydrophobicContact CG-CG 4.12Å; K221-G266 WeakPolarHBondContact O-CA 3.5Å; K221-T267 PolarHBondContact N-O 3.45Å; K221-T267 PolarHBondContact O-N 2.89Å; K221-Y269 HydrophobicContact CB-CD2 4.38Å; K221-Y269 HydrophobicContact CB-CE2 3.77Å; K221-Y269 HydrophobicContact CD-CE2 4.32Å
222S83.3Confident80.6Confident47 Ų4767.2 Ų67.233%0.32935%0.349SS..  trans-80.8163.7164.1-165.20000109.8E224 S225S222-E224 PolarHBondContact O-N 3.03Å; S222-S225 VanDerWaalsContact CB-OG 3.25Å; S222-S225 WeakPolarHBondContact CB-OG 3.27Å; S222-S225 PolarHBondContact N-OG 3.34Å; S222-S225 PolarHBondContact O-N 2.95Å
223E72Confident81.4Confident172 Ų17268 Ų6880%0.80435%0.345SS*.THydrogen-bonded Turntrans-58.7-35-176.8-67.2-158.8149.100113
224E63.7Low81.3Confident198 Ų19863 Ų6393%0.92534%0.337SS*.THydrogen-bonded Turntrans-108.50.6-176.2-63.3-178.3169.200113.9S222S222-E224 PolarHBondContact O-N 3.03Å
225S63.8Low80.4Confident56 Ų5664.6 Ų64.639%0.39236%0.355SS..SBendtrans-113.3151-174.883.60000112.8S222S222-S225 VanDerWaalsContact CB-OG 3.25Å; S222-S225 WeakPolarHBondContact CB-OG 3.27Å; S222-S225 PolarHBondContact N-OG 3.34Å; S222-S225 PolarHBondContact O-N 2.95Å
226H66.9Low79Confident97 Ų9770.4 Ų70.445%0.44938%0.377SS..PPolyproline II helixtrans-59.2149.2162.3-69.886.8000109.9G228H226-G228 PolarHBondContact O-N 3.08Å
227P77.4Confident77.8Confident51 Ų5174.6 Ų74.633%0.33139%0.393SS..PPolyproline II helixtrans-59.5120.1175-20.231.1000110.7F219 R220 K221F219-P227 HydrophobicContact CB-CB 4.18Å; F219-P227 HydrophobicContact CD1-CB 4.25Å; R220-P227 CarbonylContact O-C 3.57Å; R220-P227 WeakPolarHBondContact O-CA 3.49Å; K221-P227 HydrophobicContact CB-CB 4.28Å; K221-P227 HydrophobicContact CB-CG 4.11Å; K221-P227 HydrophobicContact CD-CG 4.22Å; K221-P227 HydrophobicContact CG-CG 4.12Å
228G82.5Confident76.1Confident34 Ų3479.4 Ų79.435%0.35142%0.421SS..EExtended strand (participates in β ladder)trans-97.7140.4176.700000111.5F219 R220 H226 I230F219-G228 CarbonylContact C-O 3.49Å; F219-G228 WeakPolarHBondContact CA-O 3.37Å; R220-G228 PolarHBondContact N-O 3.01Å; R220-G228 PolarHBondContact O-N 3.2Å; H226-G228 PolarHBondContact O-N 3.08Å; G228-I230 PolarHBondContact O-N 2.91Å
229L84.7Confident74.8Confident81 Ų8188 Ų8842%0.42445%0.453SS..EExtended strand (participates in β ladder)trans-69.6123.9172.4179.767.8000109.4Y217 F219 T232Y217-L229 HydrophobicContact CD1-CD1 3.99Å; Y217-L229 HydrophobicContact CG-CD1 4.39Å; F219-L229 HydrophobicContact CD1-CB 4.25Å; F219-L229 HydrophobicContact CD2-CD1 4.28Å; F219-L229 HydrophobicContact CE1-CB 3.82Å; F219-L229 HydrophobicContact CE1-CD1 4.34Å; F219-L229 HydrophobicContact CE2-CD1 3.84Å; F219-L229 HydrophobicContact CZ-CB 4.12Å; F219-L229 HydrophobicContact CZ-CD1 3.87Å; L229-T232 HydrophobicContact CD1-CG2 3.98Å; L229-T232 HydrophobicContact CD2-CG2 3.8Å; L229-T232 HydrophobicContact CG-CG2 4.21Å
230I89.4Confident74.2Confident74 Ų7487.6 Ų87.638%0.37946%0.455SS..EExtended strand (participates in β ladder)trans-112.3-26.5-17856.7161.5000113.3W218 R220 G228 L255 Y268W218-I230 HydrophobicContact CB-CD1 4.16Å; W218-I230 HydrophobicContact CB-CG1 3.83Å; W218-I230 WeakPolarHBondContact O-CG1 3.47Å; W218-I230 PolarHBondContact O-N 3.07Å; R220-I230 HydrophobicContact CB-CD1 4.2Å; R220-I230 HydrophobicContact CB-CG1 4.46Å; R220-I230 HydrophobicContact CB-CG2 3.71Å; G228-I230 PolarHBondContact O-N 2.91Å; I230-L255 HydrophobicContact CD1-CD2 3.57Å; I230-Y268 HydrophobicContact CD1-CD1 3.62Å; I230-Y268 HydrophobicContact CD1-CE1 3.61Å
231Y85.9Confident73.7Confident103 Ų10392.7 Ų92.740%0.40448%0.48SS..EExtended strand (participates in β ladder)trans-157.4147.5-177.5-172.5-107000111.5W218 H233 L255W218-Y231 PolarHBondContact N-O 2.88Å; W218-Y231 PolarHBondContact O-N 3.13Å; Y231-H233 HydrophobicContact CE1-CB 4.22Å; Y231-L255 HydrophobicContact CD1-CD1 3.99Å; Y231-L255 HydrophobicContact CG-CD1 3.86Å
232T86.3Confident73.3Confident74 Ų7496.1 Ų96.145%0.45449%0.491SS..EExtended strand (participates in β ladder)trans-129133.6177.260.60000109.9Y217 L229Y217-T232 HydrophobicContact CD1-CG2 3.65Å; Y217-T232 HydrophobicContact CE1-CG2 4Å; L229-T232 HydrophobicContact CD1-CG2 3.98Å; L229-T232 HydrophobicContact CD2-CG2 3.8Å; L229-T232 HydrophobicContact CG-CG2 4.21Å
233H80.8Confident72.7Confident45 Ų4596.3 Ų96.321%0.20849%0.488CS..EExtended strand (participates in β ladder)trans-114.9107.5176.4-156.4-55.7000108.3V216 Y231 Y253V216-H233 HydrophobicContact CB-CB 4.28Å; V216-H233 PolarHBondContact N-O 3.33Å; V216-H233 VanDerWaalsContact N-O 3.08Å; V216-H233 PolarHBondContact O-N 2.85Å; Y231-H233 HydrophobicContact CE1-CB 4.22Å; H233-Y253 HydrophobicContact CB-CD1 3.99Å; H233-Y253 HydrophobicContact CB-CE1 4.42Å; H233-Y253 AromaticContact CD2-CD1 3.75Å; H233-Y253 AromaticContact CG-CD1 3.55Å; H233-Y253 AromaticContact CG-CE1 3.98Å; H233-Y253 AromaticContact ND1-CD1 3.74Å; H233-Y253 AromaticContact ND1-CE1 3.72Å
234G66.6Low72.6Confident55 Ų5593.9 Ų93.957%0.56749%0.487SS*.  trans-95.7141.5-176.700000114K236G234-K236 PolarHBondContact O-N 3.03Å
235G61.3Low72.9Confident41 Ų4191.3 Ų91.342%0.42348%0.48SS..SBendtrans77.4-6130.100000120.6
236K56.9Low73.2Confident145 Ų14591.5 Ų91.563%0.6348%0.479SS*.  trans-132.5125.1177.3-82.6-177.5172.4-1690113.3G234 D238G234-K236 PolarHBondContact O-N 3.03Å; K236-D238 WeakPolarHBondContact CD-OD2 3.34Å; K236-D238 PolarHBondContact O-N 3.18Å
237R62.7Low73.4Confident88 Ų8891.4 Ų91.433%0.33249%0.487SS..  trans-82.114.1176.9-68.6-172.4-166.7171.56.4112.8C210 G212 R239 C240C210-R237 PolarHBondContact O-NH2 2.85Å; G212-R237 PolarHBondContact O-NH2 2.82Å; G212-R237 VanDerWaalsContact O-NH2 3.16Å; R237-R239 PolarHBondContact O-N 2.92Å; R237-C240 HydrophobicContact CB-CB 4.12Å; R237-C240 VanDerWaalsContact O-CB 3.26Å; R237-C240 WeakPolarHBondContact O-CB 3.44Å; R237-C240 PolarHBondContact O-N 2.82Å
238D54.9Low73.3Confident129 Ų12990.9 Ų90.969%0.6948%0.483SS*.THydrogen-bonded Turntrans-60.2-16.5-171.5-53.70000113.5K236K236-D238 WeakPolarHBondContact CD-OD2 3.34Å; K236-D238 PolarHBondContact O-N 3.18Å
239R64.1Low73.2Confident183 Ų18390.4 Ų90.469%0.69147%0.471SS*.THydrogen-bonded Turntrans-110.618.3175.5-64.1-175.7178.9-178.3-0114R237R237-R239 PolarHBondContact O-N 2.92Å
240C78.3Confident73.2Confident28 Ų2888.5 Ų88.519%0.18946%0.463CS..EExtended strand (participates in β ladder)trans-98.6121.2179.6-60.80000110.5R237 T250 C251R237-C240 HydrophobicContact CB-CB 4.12Å; R237-C240 VanDerWaalsContact O-CB 3.26Å; R237-C240 WeakPolarHBondContact O-CB 3.44Å; R237-C240 PolarHBondContact O-N 2.82Å; C240-T250 CarbonylContact C-O 3.54Å; C240-T250 WeakPolarHBondContact CA-O 3.4Å; C240-C251 HydrophobicContact CB-CB 4.1Å; C240-C251 WeakPolarHBondContact CB-SG 3.35Å; C240-C251 WeakPolarHBondContact SG-CB 3.47Å; C240-C251 CovalentContact SG-SG 2.03Å; C240-C251 PolarHBondContact SG-SG 3.14Å
241E80.3Confident73Confident155 Ų15585 Ų8572%0.72445%0.445SS*.EExtended strand (participates in β ladder)trans-87.6132.1174-164.7166.7-164.400109.4H249 T250E241-H249 WeakPolarHBondContact O-CA 3.29Å; E241-T250 PolarHBondContact N-O 3.38Å; E241-T250 PolarHBondContact O-N 2.93Å
242R76.8Confident73.1Confident163 Ų16382.8 Ų82.862%0.61544%0.442SS*.EExtended strand (participates in β ladder)trans-82.5127.7175.1-170.6175.5-147.41684.4108.6P244R242-P244 WeakPolarHBondContact O-CD 3.29Å
243N72.6Confident73.2Confident51 Ų5179.8 Ų79.827%0.27342%0.423SS..PPolyproline II helixtrans-67125.7172-171.3-29000108.9N245 T246 T248N243-N245 VanDerWaalsContact C-N 3.25Å; N243-N245 PolarHBondContact O-N 2.94Å; N243-N245 PolarHBondContact OD1-N 3.44Å; N243-T246 VanDerWaalsContact CG-OG1 3.3Å; N243-T246 PolarHBondContact ND2-OG1 3.48Å; N243-T246 VanDerWaalsContact ND2-OG1 3.11Å; N243-T248 WeakPolarHBondContact CB-O 3.2Å; N243-T248 WeakPolarHBondContact CB-OG1 3.02Å; N243-T248 PolarHBondContact N-O 3.38Å
244P68.6Low73.5Confident120 Ų12079.3 Ų79.378%0.77943%0.425SS*.SBendtrans-68.4-24.4179.324.4-32.1000113.2R242R242-P244 WeakPolarHBondContact O-CD 3.29Å
245N70.6Confident74.6Confident144 Ų14477.2 Ų77.277%0.7740%0.4SS*.SBendtrans-98.5-14.2-172-62.2-33000114N243N243-N245 VanDerWaalsContact C-N 3.25Å; N243-N245 PolarHBondContact O-N 2.94Å; N243-N245 PolarHBondContact OD1-N 3.44Å
246T69.3Low76Confident61 Ų6179 Ų7937%0.37440%0.404SS..SBendtrans-141.9155.7-17959.50000110N243 T248N243-T246 VanDerWaalsContact CG-OG1 3.3Å; N243-T246 PolarHBondContact ND2-OG1 3.48Å; N243-T246 VanDerWaalsContact ND2-OG1 3.11Å; T246-T248 PolarHBondContact O-N 3.29Å; T246-T248 PolarHBondContact OG1-OG1 3.31Å
247P71.8Confident77.5Confident95 Ų9573.3 Ų73.362%0.61738%0.381SS*.SBendtrans-7537.917733.9-37000112.4S209S209-P247 PolarHBondContact N-O 3.1Å
248T75.2Confident78.8Confident39 Ų3976.4 Ų76.424%0.23940%0.396CS..  trans-108.3148.5-179.164.20000111.3T207 N243 T246T207-T248 CarbonylContact O-C 3.5Å; T207-T248 VanDerWaalsContact O-CA 3.28Å; T207-T248 WeakPolarHBondContact O-CA 3.27Å; N243-T248 WeakPolarHBondContact CB-O 3.2Å; N243-T248 WeakPolarHBondContact CB-OG1 3.02Å; N243-T248 PolarHBondContact N-O 3.38Å; T246-T248 PolarHBondContact O-N 3.29Å; T246-T248 PolarHBondContact OG1-OG1 3.31Å
249H79.8Confident80.4Confident25 Ų2576.2 Ų76.212%0.11640%0.395CS..EExtended strand (participates in β ladder)trans-113.3135.6172.6-66.8-81.7000108.8Q206 T207 E241Q206-H249 WeakPolarHBondContact CA-O 3.49Å; T207-H249 PolarHBondContact N-O 3.08Å; T207-H249 PolarHBondContact O-N 2.77Å; E241-H249 WeakPolarHBondContact O-CA 3.29Å
250T85.3Confident81.6Confident40 Ų4067.7 Ų67.725%0.24536%0.364CS..EExtended strand (participates in β ladder)trans-108.2120.5172.5-55.40000108.6V205 Q206 C240 E241V205-T250 WeakPolarHBondContact O-CA 3.49Å; Q206-T250 HydrophobicContact CG-CG2 4.14Å; C240-T250 CarbonylContact C-O 3.54Å; C240-T250 WeakPolarHBondContact CA-O 3.4Å; E241-T250 PolarHBondContact N-O 3.38Å; E241-T250 PolarHBondContact O-N 2.93Å
251C85Confident82Confident1 Ų169.2 Ų69.21%0.00737%0.372CS..EExtended strand (participates in β ladder)trans-117.9133.2-179.4-52.90000109.4S204 V205 C240 Y253S204-C251 CarbonylContact C-O 3.54Å; S204-C251 WeakPolarHBondContact CA-O 3.48Å; V205-C251 PolarHBondContact N-O 2.92Å; V205-C251 PolarHBondContact O-N 3.39Å; C240-C251 HydrophobicContact CB-CB 4.1Å; C240-C251 WeakPolarHBondContact CB-SG 3.35Å; C240-C251 WeakPolarHBondContact SG-CB 3.47Å; C240-C251 CovalentContact SG-SG 2.03Å; C240-C251 PolarHBondContact SG-SG 3.14Å; C251-Y253 HydrophobicContact CB-CD2 4.28Å; C251-Y253 HydrophobicContact CB-CE2 3.48Å; C251-Y253 VanDerWaalsContact CB-CE2 3.48Å
252V87.8Confident82.2Confident57 Ų5766.3 Ų66.335%0.34537%0.365SS..EExtended strand (participates in β ladder)trans-108.5119.6175.4-175.60000110N202 C203N202-V252 HydrophobicContact CB-CG1 4.27Å; C203-V252 WeakPolarHBondContact O-CA 3.46Å
253Y87.6Confident82.5Confident10 Ų1062.6 Ų62.64%0.03936%0.364CS..EExtended strand (participates in β ladder)trans-108120176.4-61.8-86.3000109.8C203 V205 Q214 V216 H233 C251C203-Y253 PolarHBondContact N-O 2.85Å; C203-Y253 PolarHBondContact O-N 2.77Å; V205-Y253 HydrophobicContact CB-CE2 4.42Å; V205-Y253 HydrophobicContact CG2-CD2 3.87Å; V205-Y253 HydrophobicContact CG2-CE2 4.03Å; Q214-Y253 VanDerWaalsContact NE2-CE2 3.31Å; Q214-Y253 PolarHBondContact NE2-OH 2.9Å; V216-Y253 HydrophobicContact CB-CD1 4.19Å; V216-Y253 HydrophobicContact CB-CD2 4.32Å; V216-Y253 HydrophobicContact CB-CE1 4.45Å; V216-Y253 HydrophobicContact CB-CG 4.1Å; V216-Y253 HydrophobicContact CG1-CD2 4.44Å; V216-Y253 HydrophobicContact CG1-CG 4.21Å; V216-Y253 HydrophobicContact CG2-CD1 3.99Å; V216-Y253 HydrophobicContact CG2-CD2 3.54Å; V216-Y253 HydrophobicContact CG2-CE1 3.91Å; V216-Y253 HydrophobicContact CG2-CE2 3.45Å; V216-Y253 VanDerWaalsContact CG2-CE2 3.45Å; V216-Y253 HydrophobicContact CG2-CG 3.79Å; H233-Y253 HydrophobicContact CB-CD1 3.99Å; H233-Y253 HydrophobicContact CB-CE1 4.42Å; H233-Y253 AromaticContact CD2-CD1 3.75Å; H233-Y253 AromaticContact CG-CD1 3.55Å; H233-Y253 AromaticContact CG-CE1 3.98Å; H233-Y253 AromaticContact ND1-CD1 3.74Å; H233-Y253 AromaticContact ND1-CE1 3.72Å; C251-Y253 HydrophobicContact CB-CD2 4.28Å; C251-Y253 HydrophobicContact CB-CE2 3.48Å; C251-Y253 VanDerWaalsContact CB-CE2 3.48Å
254S87.9Confident83.3Confident36 Ų3662.1 Ų62.125%0.25236%0.362SS..EExtended strand (participates in β ladder)trans-107.3131.2-176.3-58.50000110.8L201 N202 P256L201-S254 CarbonylContact O-C 3.59Å; L201-S254 VanDerWaalsContact O-CA 3.31Å; L201-S254 WeakPolarHBondContact O-CA 3.31Å; N202-S254 WeakPolarHBondContact OD1-CB 3.25Å; N202-S254 PolarHBondContact OD1-OG 3.4Å; S254-P256 WeakPolarHBondContact O-CD 3.36Å
255L90.2Very high84.2Confident10 Ų1058 Ų585%0.05234%0.337CS..EExtended strand (participates in β ladder)trans-107.2103.9171.3176.167.5000109.1T200 L201 W218 I230 Y231 L257 Y268T200-L255 WeakPolarHBondContact CA-O 3.38Å; L201-L255 HydrophobicContact CB-CB 4.41Å; L201-L255 PolarHBondContact N-O 2.88Å; L201-L255 PolarHBondContact O-N 2.59Å; W218-L255 HydrophobicContact CB-CD2 3.97Å; W218-L255 HydrophobicContact CD2-CB 3.97Å; W218-L255 HydrophobicContact CD2-CD2 3.79Å; W218-L255 HydrophobicContact CD2-CG 4.47Å; W218-L255 HydrophobicContact CE3-CD2 3.96Å; W218-L255 HydrophobicContact CG-CB 4.2Å; W218-L255 HydrophobicContact CG-CD2 3.82Å; W218-L255 HydrophobicContact CG-CG 4.43Å; W218-L255 HydrophobicContact CZ2-CB 4.08Å; I230-L255 HydrophobicContact CD1-CD2 3.57Å; Y231-L255 HydrophobicContact CD1-CD1 3.99Å; Y231-L255 HydrophobicContact CG-CD1 3.86Å; L255-L257 HydrophobicContact CD2-CD2 4.12Å; L255-L257 HydrophobicContact CG-CD2 4.17Å; L255-L257 HydrophobicContact CG-CG 4.41Å; L255-Y268 HydrophobicContact CD2-CD1 4.17Å
256P89.8Confident85Confident78 Ų7851.7 Ų51.751%0.50631%0.307SS..EExtended strand (participates in β ladder)trans-77.9124.9173.830.7-31.9000110.4S254S254-P256 WeakPolarHBondContact O-CD 3.36Å
257L89.7Confident86.1Confident26 Ų2649.7 Ų49.714%0.13629%0.294CS..EExtended strand (participates in β ladder)trans-110.9134.4170.8-57.1170.7000108.3A198 V199 L201 L255 L260 Y268 L286A198-L257 CarbonylContact C-O 3.57Å; A198-L257 VanDerWaalsContact CA-O 3.25Å; A198-L257 WeakPolarHBondContact CA-O 3.42Å; V199-L257 HydrophobicContact CG1-CB 4.07Å; V199-L257 HydrophobicContact CG1-CD1 4.06Å; V199-L257 PolarHBondContact N-O 3.31Å; V199-L257 PolarHBondContact O-N 2.87Å; V199-L257 VanDerWaalsContact O-O 3.08Å; L201-L257 HydrophobicContact CD1-CD1 3.98Å; L201-L257 HydrophobicContact CG-CD1 4.19Å; L255-L257 HydrophobicContact CD2-CD2 4.12Å; L255-L257 HydrophobicContact CG-CD2 4.17Å; L255-L257 HydrophobicContact CG-CG 4.41Å; L257-L260 HydrophobicContact CB-CD2 3.8Å; L257-L260 HydrophobicContact CD1-CD2 4.4Å; L257-Y268 HydrophobicContact CD1-CD1 4.4Å; L257-Y268 HydrophobicContact CD1-CE1 3.81Å; L257-Y268 HydrophobicContact CD1-CE2 4.42Å; L257-Y268 HydrophobicContact CD2-CE1 4.18Å; L257-L286 HydrophobicContact CD1-CD2 4.14Å
258K90.1Very high87Confident153 Ų15345.3 Ų45.367%0.66527%0.265SS*.  trans-130.2158.2-177.2-62.1-176.5-179.5-1780109.8A198 L260A198-K258 HydrophobicContact CB-CG 4.16Å; K258-L260 VanDerWaalsContact C-N 3.28Å; K258-L260 PolarHBondContact O-N 2.8Å
259D88.2Confident87.8Confident125 Ų12546.2 Ų46.267%0.66827%0.265SS*.SBendtrans52.446.5173.8-54.3-45.4000112.4D197 T261D197-D259 PolarHBondContact O-N 2.9Å; D259-T261 PolarHBondContact O-N 2.85Å
260L88.6Confident88.4Confident4 Ų445 Ų452%0.02126%0.259CS..  trans-62.3132.9-170.4-69.9171000112.7V193 P195 G196 D197 V199 L257 K258 D264 L286 L288V193-L260 HydrophobicContact CB-CD1 4.43Å; V193-L260 HydrophobicContact CG1-CD1 3.78Å; P195-L260 CarbonylContact C-O 3.53Å; P195-L260 VanDerWaalsContact CA-O 3.32Å; P195-L260 WeakPolarHBondContact CA-O 3.48Å; G196-L260 PolarHBondContact N-O 2.89Å; D197-L260 WeakPolarHBondContact O-CG 3.25Å; D197-L260 PolarHBondContact O-N 3.44Å; V199-L260 HydrophobicContact CB-CD1 4.39Å; V199-L260 HydrophobicContact CG1-CD1 3.84Å; L257-L260 HydrophobicContact CB-CD2 3.8Å; L257-L260 HydrophobicContact CD1-CD2 4.4Å; K258-L260 VanDerWaalsContact C-N 3.28Å; K258-L260 PolarHBondContact O-N 2.8Å; L260-D264 HydrophobicContact CD2-CB 3.86Å; L260-L286 HydrophobicContact CD1-CD2 4.23Å; L260-L286 HydrophobicContact CD2-CD2 3.98Å; L260-L288 HydrophobicContact CB-CD1 4.22Å; L260-L288 HydrophobicContact CB-CD2 4.01Å; L260-L288 HydrophobicContact CD1-CD2 4.17Å
261T86.9Confident88.6Confident60 Ų6043.1 Ų43.137%0.36825%0.248SC..  trans-116.1162.6176.964.10000110.6D259 S263 D264 L288D259-T261 PolarHBondContact O-N 2.85Å; T261-S263 PolarHBondContact O-N 3.02Å; T261-S263 PolarHBondContact OG1-OG 2.68Å; T261-D264 PolarHBondContact N-OD2 3.42Å; T261-D264 WeakPolarHBondContact O-CA 3.34Å; T261-D264 VanDerWaalsContact O-CB 3.3Å; T261-D264 WeakPolarHBondContact O-CB 3.41Å; T261-D264 PolarHBondContact O-N 3.19Å; T261-D264 PolarHBondContact OG1-OD2 2.89Å; T261-L288 WeakPolarHBondContact O-CD1 3.43Å
262V84.6Confident88.8Confident94 Ų9443.1 Ų43.157%0.5725%0.248SC*.G310 helixtrans-54.1-31177.6-178.20000112D264 A265V262-D264 PolarHBondContact O-N 2.82Å; V262-A265 WeakPolarHBondContact O-CB 3.25Å; V262-A265 PolarHBondContact O-N 3.48Å
263S84.1Confident88.7Confident86 Ų8641.9 Ų41.960%0.60124%0.241SC*.G310 helixtrans-70.8-0.8173.9430000115R220 T261R220-S263 PolarHBondContact NH1-O 3.34Å; R220-S263 PolarHBondContact NH2-O 3.03Å; T261-S263 PolarHBondContact O-N 3.02Å; T261-S263 PolarHBondContact OG1-OG 2.68Å
264D87.3Confident88.3Confident41 Ų4141.4 Ų41.422%0.21924%0.24CC..G310 helixtrans-97.5-8.8173-60.9-51.1000113.2R220 L260 T261 V262 Y268 L288R220-D264 VanDerWaalsContact CZ-CA 3.46Å; R220-D264 PolarHBondContact NE-O 2.85Å; R220-D264 IonicContact NH1-OD1 3.91Å; R220-D264 VanDerWaalsContact NH2-C 3.26Å; R220-D264 PolarHBondContact NH2-O 2.92Å; L260-D264 HydrophobicContact CD2-CB 3.86Å; T261-D264 PolarHBondContact N-OD2 3.42Å; T261-D264 WeakPolarHBondContact O-CA 3.34Å; T261-D264 VanDerWaalsContact O-CB 3.3Å; T261-D264 WeakPolarHBondContact O-CB 3.41Å; T261-D264 PolarHBondContact O-N 3.19Å; T261-D264 PolarHBondContact OG1-OD2 2.89Å; V262-D264 PolarHBondContact O-N 2.82Å; D264-Y268 PolarHBondContact O-OH 3.05Å; D264-L288 HydrophobicContact CB-CD1 4.49Å
265A87.6Confident87.9Confident32 Ų3242.5 Ų42.526%0.26425%0.246SC..  trans-61140.7173.600000111.1R220 V262 L286R220-A265 PolarHBondContact NH2-O 3.16Å; V262-A265 WeakPolarHBondContact O-CB 3.25Å; V262-A265 PolarHBondContact O-N 3.48Å; A265-L286 WeakPolarHBondContact CA-O 3.5Å
266G89.3Confident87.2Confident13 Ų1343.7 Ų43.713%0.13426%0.261CS..EExtended strand (participates in β ladder)trans156.9-176.1-177.500000112.8K221 L286K221-G266 WeakPolarHBondContact O-CA 3.5Å; G266-L286 PolarHBondContact N-O 2.85Å; G266-L286 PolarHBondContact O-N 3Å
267T91Very high86.7Confident18 Ų1841.3 Ų41.311%0.1124%0.243CC..EExtended strand (participates in β ladder)trans-103.6124.1175.7-480000110.2K221 Y269 T284K221-T267 PolarHBondContact N-O 3.45Å; K221-T267 PolarHBondContact O-N 2.89Å; T267-Y269 HydrophobicContact CG2-CD2 4.31Å; T267-Y269 HydrophobicContact CG2-CE1 4.06Å; T267-Y269 HydrophobicContact CG2-CE2 3.59Å; T267-Y269 VanDerWaalsContact CG2-CZ 3.45Å; T267-Y269 WeakPolarHBondContact CG2-OH 3.43Å; T267-T284 WeakPolarHBondContact CA-O 3.38Å
268Y91.6Very high86.5Confident3 Ų341 Ų411%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-100.5121.5-179.2-68.5-102.9000109.6Q187 L201 F219 R220 I230 L255 L257 D264 G283 T284 L286Q187-Y268 PolarHBondContact NE2-O 3.3Å; L201-Y268 HydrophobicContact CD1-CD1 3.92Å; L201-Y268 HydrophobicContact CD1-CD2 4.05Å; L201-Y268 HydrophobicContact CD1-CG 3.58Å; F219-Y268 CarbonylContact O-C 3.53Å; F219-Y268 VanDerWaalsContact O-CA 3.3Å; F219-Y268 WeakPolarHBondContact O-CA 3.05Å; R220-Y268 HydrophobicContact CB-CD1 4.28Å; R220-Y268 HydrophobicContact CB-CE1 4.19Å; R220-Y268 WeakPolarHBondContact CD-OH 2.94Å; R220-Y268 HydrophobicContact CG-CD1 4.3Å; R220-Y268 HydrophobicContact CG-CE1 3.94Å; R220-Y268 HydrophobicContact CG-CE2 4.32Å; R220-Y268 PolarHBondContact NE-OH 2.94Å; I230-Y268 HydrophobicContact CD1-CD1 3.62Å; I230-Y268 HydrophobicContact CD1-CE1 3.61Å; L255-Y268 HydrophobicContact CD2-CD1 4.17Å; L257-Y268 HydrophobicContact CD1-CD1 4.4Å; L257-Y268 HydrophobicContact CD1-CE1 3.81Å; L257-Y268 HydrophobicContact CD1-CE2 4.42Å; L257-Y268 HydrophobicContact CD2-CE1 4.18Å; D264-Y268 PolarHBondContact O-OH 3.05Å; Y268-G283 CarbonylContact O-C 3.53Å; Y268-G283 VanDerWaalsContact O-CA 3.32Å; Y268-G283 WeakPolarHBondContact O-CA 3.34Å; Y268-T284 PolarHBondContact N-O 2.93Å; Y268-T284 PolarHBondContact O-N 3.36Å; Y268-L286 HydrophobicContact CD2-CB 4.08Å; Y268-L286 HydrophobicContact CE2-CB 3.78Å; Y268-L286 HydrophobicContact CE2-CD2 3.9Å
269Y91.4Very high86.3Confident58 Ų5835.5 Ų35.523%0.22722%0.221CC..EExtended strand (participates in β ladder)trans-109127-179.7-61.9-88.9000109.7W218 F219 K221 T267W218-Y269 WeakPolarHBondContact CA-O 3.34Å; F219-Y269 PolarHBondContact N-O 2.63Å; F219-Y269 PolarHBondContact O-N 2.94Å; K221-Y269 HydrophobicContact CB-CD2 4.38Å; K221-Y269 HydrophobicContact CB-CE2 3.77Å; K221-Y269 HydrophobicContact CD-CE2 4.32Å; T267-Y269 HydrophobicContact CG2-CD2 4.31Å; T267-Y269 HydrophobicContact CG2-CE1 4.06Å; T267-Y269 HydrophobicContact CG2-CE2 3.59Å; T267-Y269 VanDerWaalsContact CG2-CZ 3.45Å; T267-Y269 WeakPolarHBondContact CG2-OH 3.43Å
270C92Very high86.3Confident0 Ų033.2 Ų33.20%021%0.205CC..EExtended strand (participates in β ladder)trans-85127165.6-178.90000108.5V185 Q187 C203 V216 W218 G281V185-C270 HydrophobicContact CG1-CB 4.29Å; Q187-C270 HydrophobicContact CG-CB 3.91Å; C203-C270 HydrophobicContact CB-CB 3.57Å; C203-C270 WeakPolarHBondContact CB-SG 3.46Å; C203-C270 WeakPolarHBondContact SG-CB 3.45Å; C203-C270 CovalentContact SG-SG 2.03Å; C203-C270 PolarHBondContact SG-SG 3.22Å; V216-C270 WeakPolarHBondContact CG1-SG 3.12Å; W218-C270 HydrophobicContact CD2-CB 4.4Å; W218-C270 HydrophobicContact CE3-CB 4.25Å; W218-C270 HydrophobicContact CH2-CB 4.02Å; W218-C270 HydrophobicContact CZ2-CB 4.16Å; W218-C270 HydrophobicContact CZ3-CB 4.05Å; C270-G281 PolarHBondContact O-N 3.43Å
271V90.4Very high86.3Confident0 Ų033.3 Ų33.30%021%0.207CC..EExtended strand (participates in β ladder)trans-123.2126179.3-174.30000108.2L101 V216 Y217 F219 I278 V279 F280L101-V271 HydrophobicContact CD2-CG1 3.73Å; V216-V271 WeakPolarHBondContact CA-O 3.41Å; Y217-V271 WeakPolarHBondContact CD2-O 3.49Å; Y217-V271 PolarHBondContact N-O 2.84Å; Y217-V271 PolarHBondContact O-N 2.86Å; F219-V271 HydrophobicContact CD2-CB 4.14Å; F219-V271 HydrophobicContact CD2-CG2 3.57Å; F219-V271 HydrophobicContact CE2-CB 4.16Å; F219-V271 HydrophobicContact CE2-CG2 3.99Å; V271-I278 HydrophobicContact CG1-CG2 3.55Å; V271-V279 CarbonylContact C-O 3.53Å; V271-V279 WeakPolarHBondContact CA-O 3.32Å; V271-F280 HydrophobicContact CG1-CD1 4.38Å; V271-F280 HydrophobicContact CG1-CD2 4.42Å; V271-F280 HydrophobicContact CG1-CE1 4.21Å; V271-F280 HydrophobicContact CG1-CE2 4.23Å; V271-F280 HydrophobicContact CG1-CG 4.48Å; V271-F280 HydrophobicContact CG1-CZ 4.12Å; V271-F280 HydrophobicContact CG2-CD1 3.49Å; V271-F280 VanDerWaalsContact CG2-CD1 3.49Å; V271-F280 HydrophobicContact CG2-CE1 3.57Å; V271-F280 HydrophobicContact CG2-CG 4.18Å; V271-F280 HydrophobicContact CG2-CZ 4.31Å
272V87.9Confident86.3Confident1 Ų137.3 Ų37.31%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-112.2129.7-175.6-1770000109V185 V205 Q214 V216 F274 I278 V279V185-V272 HydrophobicContact CG2-CB 4.28Å; V185-V272 HydrophobicContact CG2-CG2 3.67Å; V205-V272 HydrophobicContact CB-CG2 4.49Å; V205-V272 HydrophobicContact CG1-CB 4.49Å; V205-V272 HydrophobicContact CG1-CG1 3.97Å; V205-V272 HydrophobicContact CG1-CG2 4.03Å; V205-V272 HydrophobicContact CG2-CG2 3.58Å; Q214-V272 HydrophobicContact CG-CG1 4.22Å; V216-V272 HydrophobicContact CG1-CG2 4.46Å; V216-V272 HydrophobicContact CG2-CG1 4.36Å; V216-V272 HydrophobicContact CG2-CG2 4.09Å; V272-F274 HydrophobicContact CG1-CB 4.27Å; V272-I278 WeakPolarHBondContact O-CA 3.39Å; V272-V279 PolarHBondContact N-O 3.47Å; V272-V279 PolarHBondContact O-N 3.49Å
273S86Confident86.5Confident31 Ų3133.7 Ų33.722%0.21721%0.208CC..EExtended strand (participates in β ladder)trans-101.4116.5165.6-175.40000108.6S215 Q277S215-S273 PolarHBondContact N-O 2.68Å; S215-S273 VanDerWaalsContact N-O 3.12Å; S215-S273 PolarHBondContact O-N 2.97Å; S273-Q277 WeakPolarHBondContact CA-O 3.39Å
274F80.7Confident86.8Confident1 Ų129.7 Ų29.70%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-143.3125.1179.8-178.1-104.1000109.9I181 P183 T207 G208 C210 Q214 V272 G276 Q277I181-F274 HydrophobicContact CG2-CD1 4.29Å; I181-F274 HydrophobicContact CG2-CE1 3.81Å; P183-F274 HydrophobicContact CB-CD1 4.43Å; P183-F274 HydrophobicContact CG-CD1 4.39Å; T207-F274 HydrophobicContact CG2-CD1 4.18Å; T207-F274 HydrophobicContact CG2-CD2 4.09Å; T207-F274 HydrophobicContact CG2-CE1 4.39Å; T207-F274 HydrophobicContact CG2-CE2 4.31Å; T207-F274 HydrophobicContact CG2-CG 4.01Å; T207-F274 HydrophobicContact CG2-CZ 4.45Å; G208-F274 VanDerWaalsContact O-CZ 3.25Å; G208-F274 WeakPolarHBondContact O-CZ 3.5Å; C210-F274 HydrophobicContact CB-CE1 3.73Å; C210-F274 HydrophobicContact CB-CE2 4.21Å; C210-F274 HydrophobicContact CB-CZ 3.4Å; C210-F274 VanDerWaalsContact CB-CZ 3.4Å; C210-F274 VanDerWaalsContact SG-CE1 3.56Å; C210-F274 VanDerWaalsContact SG-CE2 3.51Å; C210-F274 WeakPolarHBondContact SG-CZ 3.47Å; Q214-F274 HydrophobicContact CB-CD2 4Å; Q214-F274 HydrophobicContact CG-CD2 4.15Å; V272-F274 HydrophobicContact CG1-CB 4.27Å; F274-G276 PolarHBondContact O-N 3.17Å; F274-Q277 PolarHBondContact N-O 3.47Å; F274-Q277 WeakPolarHBondContact O-CB 3.32Å; F274-Q277 PolarHBondContact O-N 3Å
275C79Confident86.9Confident58 Ų5835.2 Ų35.239%0.39220%0.197SC..THydrogen-bonded Turntrans51.537.1-178.3-1020000115C210 Q277C210-C275 HydrophobicContact CB-CB 4.08Å; C210-C275 WeakPolarHBondContact CB-SG 3.39Å; C210-C275 WeakPolarHBondContact SG-CB 3.25Å; C210-C275 CovalentContact SG-SG 2.02Å; C210-C275 PolarHBondContact SG-SG 3.38Å; C275-Q277 PolarHBondContact O-N 3.47Å
276G75.3Confident86.9Confident35 Ų3533.8 Ų33.836%0.36119%0.185SC..THydrogen-bonded Turntrans75.2-1.8-178.200000114.6F274F274-G276 PolarHBondContact O-N 3.17Å
277Q79.5Confident86.8Confident28 Ų2836.8 Ų36.813%0.13120%0.201CC..EExtended strand (participates in β ladder)trans-90.7141.2171.6-62.2-178.5-13.800110.5M148 I181 S273 F274 C275M148-Q277 HydrophobicContact SD-CG 3.9Å; I181-Q277 PolarHBondContact O-OE1 3.47Å; S273-Q277 WeakPolarHBondContact CA-O 3.39Å; F274-Q277 PolarHBondContact N-O 3.47Å; F274-Q277 WeakPolarHBondContact O-CB 3.32Å; F274-Q277 PolarHBondContact O-N 3Å; C275-Q277 PolarHBondContact O-N 3.47Å
278I84.7Confident86.3Confident21 Ų2137 Ų3711%0.10820%0.201CC..EExtended strand (participates in β ladder)trans-109.7122.2174.1-57.9177.5000108.3L101 V271 V272 F280L101-I278 HydrophobicContact CB-CD1 4.14Å; L101-I278 HydrophobicContact CD2-CD1 4.31Å; L101-I278 HydrophobicContact CD2-CG1 4.41Å; L101-I278 HydrophobicContact CD2-CG2 4.06Å; V271-I278 HydrophobicContact CG1-CG2 3.55Å; V272-I278 WeakPolarHBondContact O-CA 3.39Å; I278-F280 HydrophobicContact CG2-CD2 4.31Å; I278-F280 HydrophobicContact CG2-CE2 3.73Å; I278-F280 HydrophobicContact CG2-CZ 4.39Å
279V85.9Confident85.4Confident37 Ų3741.4 Ų41.422%0.22422%0.223CC..EExtended strand (participates in β ladder)trans-123.4132177.6-1800000110.6P183 V185 V271 V272P183-V279 HydrophobicContact CG-CG2 3.75Å; V185-V279 HydrophobicContact CG2-CB 4.32Å; V185-V279 HydrophobicContact CG2-CG1 3.82Å; V271-V279 CarbonylContact C-O 3.53Å; V271-V279 WeakPolarHBondContact CA-O 3.32Å; V272-V279 PolarHBondContact N-O 3.47Å; V272-V279 PolarHBondContact O-N 3.49Å
280F87.8Confident84.2Confident77 Ų7741.2 Ų41.234%0.33823%0.23SC..EExtended strand (participates in β ladder)trans-96.2134.2177-69.8-105.7000109.2F71 I173 V271 I278F71-F280 HydrophobicContact CE1-CE1 4.46Å; F71-F280 HydrophobicContact CE1-CZ 4.16Å; I173-F280 HydrophobicContact CD1-CD2 4.07Å; I173-F280 HydrophobicContact CD1-CE2 3.53Å; I173-F280 HydrophobicContact CD1-CZ 4.5Å; V271-F280 HydrophobicContact CG1-CD1 4.38Å; V271-F280 HydrophobicContact CG1-CD2 4.42Å; V271-F280 HydrophobicContact CG1-CE1 4.21Å; V271-F280 HydrophobicContact CG1-CE2 4.23Å; V271-F280 HydrophobicContact CG1-CG 4.48Å; V271-F280 HydrophobicContact CG1-CZ 4.12Å; V271-F280 HydrophobicContact CG2-CD1 3.49Å; V271-F280 VanDerWaalsContact CG2-CD1 3.49Å; V271-F280 HydrophobicContact CG2-CE1 3.57Å; V271-F280 HydrophobicContact CG2-CG 4.18Å; V271-F280 HydrophobicContact CG2-CZ 4.31Å; I278-F280 HydrophobicContact CG2-CD2 4.31Å; I278-F280 HydrophobicContact CG2-CE2 3.73Å; I278-F280 HydrophobicContact CG2-CZ 4.39Å
281G88.5Confident82.7Confident5 Ų547.3 Ų47.35%0.05226%0.259CS..  trans-70.9164.3163.200000111.3Q187 C270 G283Q187-G281 VanDerWaalsContact OE1-C 3.28Å; Q187-G281 VanDerWaalsContact OE1-CA 3.3Å; C270-G281 PolarHBondContact O-N 3.43Å; G281-G283 PolarHBondContact O-N 2.87Å; G281-G283 VanDerWaalsContact O-N 3.07Å
282N88Confident81.2Confident145 Ų14549.2 Ų49.278%0.77528%0.278SS*.  trans-66.5-10.3-176.2-68.3-13.2000114.1
283G89.3Confident80Confident18 Ų1856.2 Ų56.219%0.18631%0.309CS..  trans85.6147.5-176.600000112.9Y268 G281Y268-G283 CarbonylContact O-C 3.53Å; Y268-G283 VanDerWaalsContact O-CA 3.32Å; Y268-G283 WeakPolarHBondContact O-CA 3.34Å; G281-G283 PolarHBondContact O-N 2.87Å; G281-G283 VanDerWaalsContact O-N 3.07Å
284T90.7Very high78.8Confident2 Ų262.4 Ų62.41%0.01233%0.332CS..EExtended strand (participates in β ladder)trans-121112.3-179.9-66.90000106.8Q187 S188 P190 L201 T267 Y268Q187-T284 WeakPolarHBondContact CB-OG1 3.39Å; Q187-T284 PolarHBondContact NE2-OG1 3.16Å; S188-T284 WeakPolarHBondContact O-CG2 3.22Å; S188-T284 PolarHBondContact O-OG1 2.85Å; P190-T284 HydrophobicContact CB-CG2 4.31Å; P190-T284 HydrophobicContact CG-CG2 3.48Å; P190-T284 VanDerWaalsContact CG-CG2 3.48Å; L201-T284 HydrophobicContact CD1-CG2 4.01Å; L201-T284 HydrophobicContact CD2-CG2 3.65Å; L201-T284 HydrophobicContact CG-CG2 4.34Å; T267-T284 WeakPolarHBondContact CA-O 3.38Å; Y268-T284 PolarHBondContact N-O 2.93Å; Y268-T284 PolarHBondContact O-N 3.36Å
285R89.1Confident78.1Confident157 Ų15767.8 Ų67.859%0.59236%0.36SS*.EExtended strand (participates in β ladder)trans-86115.2178.7-175.8177.5-74.5-116.71110.2P190 T287P190-R285 WeakPolarHBondContact CG-O 3.42Å; R285-T287 HydrophobicContact CG-CG2 4.2Å
286L87.9Confident77.8Confident2 Ų269.3 Ų69.31%0.0137%0.368CS..EExtended strand (participates in β ladder)trans-94117.2173.8-17566.5000109.7P190 V193 V199 L257 L260 A265 G266 Y268P190-L286 HydrophobicContact CB-CD1 4.42Å; P190-L286 HydrophobicContact CG-CD1 4.37Å; V193-L286 HydrophobicContact CB-CD1 4.31Å; V193-L286 HydrophobicContact CG2-CD1 3.79Å; V199-L286 HydrophobicContact CG1-CD1 4.23Å; L257-L286 HydrophobicContact CD1-CD2 4.14Å; L260-L286 HydrophobicContact CD1-CD2 4.23Å; L260-L286 HydrophobicContact CD2-CD2 3.98Å; A265-L286 WeakPolarHBondContact CA-O 3.5Å; G266-L286 PolarHBondContact N-O 2.85Å; G266-L286 PolarHBondContact O-N 3Å; Y268-L286 HydrophobicContact CD2-CB 4.08Å; Y268-L286 HydrophobicContact CE2-CB 3.78Å; Y268-L286 HydrophobicContact CE2-CD2 3.9Å
287T85.3Confident77.7Confident76 Ų7674 Ų7447%0.46638%0.38SS..  trans-110.5134.8173560000109.6V193 R285V193-T287 PolarHBondContact N-O 3.44Å; R285-T287 HydrophobicContact CG-CG2 4.2Å
288L82.3Confident77.7Confident22 Ų2278.7 Ų78.712%0.11540%0.4CS..BIsolated β-bridgetrans-110.7122.8177-70.1167.5000109.5V193 L260 T261 D264 S290V193-L288 HydrophobicContact CB-CD2 4.02Å; V193-L288 HydrophobicContact CG1-CD2 4.29Å; V193-L288 WeakPolarHBondContact O-CA 3.36Å; V193-L288 WeakPolarHBondContact O-CD2 3.4Å; L260-L288 HydrophobicContact CB-CD1 4.22Å; L260-L288 HydrophobicContact CB-CD2 4.01Å; L260-L288 HydrophobicContact CD1-CD2 4.17Å; T261-L288 WeakPolarHBondContact O-CD1 3.43Å; D264-L288 HydrophobicContact CB-CD1 4.49Å; L288-S290 PolarHBondContact O-N 2.8Å
289M71.9Confident77.8Confident96 Ų9681.2 Ų81.247%0.47342%0.416SS..  trans-77.3112.2179.2-54.4-157.3-39.300109.8V193 P195 E291V193-M289 PolarHBondContact O-N 3.42Å; P195-M289 WeakPolarHBondContact CD-O 3.47Å; M289-E291 PolarHBondContact O-N 2.8Å
290S65.9Low77.8Confident54 Ų5482.9 Ų82.938%0.37843%0.427SS..  trans-84.4104.7173.4179.30000109.9L288 G292L288-S290 PolarHBondContact O-N 2.8Å; S290-G292 PolarHBondContact O-N 2.83Å
291E60.6Low77.8Confident127 Ų12781.4 Ų81.459%0.59343%0.433SS*.Hα-helixtrans-62.7-21.3174-63.6-170.5167.300112.5R194 M289 K293R194-E291 IonicContact NE-OE1 3.1Å; M289-E291 PolarHBondContact O-N 2.8Å; E291-K293 PolarHBondContact O-N 3.47Å
292G59.9Low78Confident40 Ų4085.8 Ų85.841%0.41246%0.455SS..Hα-helixtrans-69.8-31.6-177.100000115.1S290 F294 L295 V296S290-G292 PolarHBondContact O-N 2.83Å; G292-F294 VanDerWaalsContact C-N 3.35Å; G292-F294 PolarHBondContact O-N 2.03Å; G292-L295 PolarHBondContact O-N 2.86Å; G292-V296 WeakPolarHBondContact O-CG2 3.27Å; G292-V296 PolarHBondContact O-N 2.91Å; G292-V296 VanDerWaalsContact O-N 3.11Å
293K61.2Low78.2Confident148 Ų14884.1 Ų84.164%0.64345%0.445SS*.Hα-helixtrans-66.7-38.5-180-72.4-176.9178.6178.20111.5E291 V296 H297E291-K293 PolarHBondContact O-N 3.47Å; K293-V296 PolarHBondContact O-N 3.04Å; K293-H297 PolarHBondContact O-CD2 2.81Å; K293-H297 PolarHBondContact O-N 2.92Å
294F61.7Low78.4Confident162 Ų16285.9 Ų85.971%0.71146%0.458SS*.Hα-helixtrans-66.4-42.7179.9-160.3-95000111.7G292 H297 F298G292-F294 VanDerWaalsContact C-N 3.35Å; G292-F294 PolarHBondContact O-N 2.03Å; F294-H297 PolarHBondContact O-N 3.03Å; F294-F298 WeakPolarHBondContact O-CB 3.05Å; F294-F298 PolarHBondContact O-N 2.8Å
295L66.3Low78.5Confident113 Ų11387.3 Ų87.359%0.59247%0.473SS*.Hα-helixtrans-61.6-43.2175.1-96.1154.3000112.4G292 F298 V299G292-L295 PolarHBondContact O-N 2.86Å; L295-F298 PolarHBondContact O-N 3.41Å; L295-V299 WeakPolarHBondContact O-CB 3.23Å; L295-V299 VanDerWaalsContact O-CG2 3.24Å; L295-V299 WeakPolarHBondContact O-CG2 3.42Å; L295-V299 PolarHBondContact O-N 3.1Å
296V72.3Confident78.7Confident90 Ų9085.1 Ų85.155%0.54547%0.473SS..Hα-helixtrans-65.8-43.1177.5174.70000111.3G292 K293 F298 V299 T300G292-V296 WeakPolarHBondContact O-CG2 3.27Å; G292-V296 PolarHBondContact O-N 2.91Å; G292-V296 VanDerWaalsContact O-N 3.11Å; K293-V296 PolarHBondContact O-N 3.04Å; V296-F298 PolarHBondContact O-N 2.91Å; V296-V299 PolarHBondContact O-N 3.39Å; V296-T300 HydrophobicContact CG1-CG2 4.42Å; V296-T300 WeakPolarHBondContact O-CB 3.42Å; V296-T300 WeakPolarHBondContact O-CG2 3.25Å; V296-T300 PolarHBondContact O-N 2.79Å; V296-T300 PolarHBondContact O-OG1 2.69Å
297H73.3Confident79Confident133 Ų13391.5 Ų91.562%0.61650%0.501SS*.Hα-helixtrans-64.5-38176-74.4-56.3000112.7K293 F294 T300 G301K293-H297 PolarHBondContact O-CD2 2.81Å; K293-H297 PolarHBondContact O-N 2.92Å; F294-H297 PolarHBondContact O-N 3.03Å; H297-T300 VanDerWaalsContact CA-OG1 3.28Å; H297-T300 WeakPolarHBondContact CA-OG1 3.47Å; H297-T300 PolarHBondContact O-OG1 2.93Å; H297-G301 PolarHBondContact O-N 3.26Å
298F79.9Confident79.5Confident127 Ų12793.2 Ų93.256%0.55751%0.506SS*.Hα-helixtrans-68.2-45.7177-168.8-101.2000112.1F294 L295 V296 G301 L302F294-F298 WeakPolarHBondContact O-CB 3.05Å; F294-F298 PolarHBondContact O-N 2.8Å; L295-F298 PolarHBondContact O-N 3.41Å; V296-F298 PolarHBondContact O-N 2.91Å; F298-G301 PolarHBondContact O-N 2.83Å; F298-L302 HydrophobicContact CD1-CD1 3.79Å; F298-L302 HydrophobicContact CD1-CG 4.46Å; F298-L302 HydrophobicContact CE1-CD1 3.49Å; F298-L302 VanDerWaalsContact CE1-CD1 3.49Å; F298-L302 HydrophobicContact CE1-CG 4.24Å; F298-L302 HydrophobicContact CZ-CD1 4.22Å; F298-L302 WeakPolarHBondContact O-CG 3.3Å; F298-L302 PolarHBondContact O-N 2.95Å
299V85.4Confident80.1Confident74 Ų7496.2 Ų96.245%0.44853%0.525SS..Hα-helixtrans-65.3-41.9177.7172.80000111.3L295 V296 L302 L303L295-V299 WeakPolarHBondContact O-CB 3.23Å; L295-V299 VanDerWaalsContact O-CG2 3.24Å; L295-V299 WeakPolarHBondContact O-CG2 3.42Å; L295-V299 PolarHBondContact O-N 3.1Å; V296-V299 PolarHBondContact O-N 3.39Å; V299-L302 PolarHBondContact O-N 3.39Å; V299-L303 HydrophobicContact CG1-CD1 4.04Å; V299-L303 VanDerWaalsContact O-CG 3.32Å; V299-L303 WeakPolarHBondContact O-CG 3.48Å; V299-L303 PolarHBondContact O-N 3.46Å
300T86.9Confident81.1Confident73 Ų7396.3 Ų96.345%0.44853%0.528SS..Hα-helixtrans-65.4-38.7175.746.60000112.2V296 H297 L303 A304V296-T300 HydrophobicContact CG1-CG2 4.42Å; V296-T300 WeakPolarHBondContact O-CB 3.42Å; V296-T300 WeakPolarHBondContact O-CG2 3.25Å; V296-T300 PolarHBondContact O-N 2.79Å; V296-T300 PolarHBondContact O-OG1 2.69Å; H297-T300 VanDerWaalsContact CA-OG1 3.28Å; H297-T300 WeakPolarHBondContact CA-OG1 3.47Å; H297-T300 PolarHBondContact O-OG1 2.93Å; T300-L303 PolarHBondContact O-N 3.47Å; T300-A304 WeakPolarHBondContact O-CB 3.33Å; T300-A304 PolarHBondContact O-N 3.41Å
301G87.8Confident82.4Confident45 Ų4597.3 Ų97.346%0.46453%0.528SS..Hα-helixtrans-61.6-44.4173.100000113.1H297 F298 A304 G305H297-G301 PolarHBondContact O-N 3.26Å; F298-G301 PolarHBondContact O-N 2.83Å; G301-A304 PolarHBondContact O-N 3.24Å; G301-G305 PolarHBondContact O-N 3.27Å
302L91.9Very high84Confident97 Ų9796.1 Ų96.151%0.50853%0.529SS..Hα-helixtrans-62.9-44.6176.1-75.6172.5000112.3F298 V299 G305 L306F298-L302 HydrophobicContact CD1-CD1 3.79Å; F298-L302 HydrophobicContact CD1-CG 4.46Å; F298-L302 HydrophobicContact CE1-CD1 3.49Å; F298-L302 VanDerWaalsContact CE1-CD1 3.49Å; F298-L302 HydrophobicContact CE1-CG 4.24Å; F298-L302 HydrophobicContact CZ-CD1 4.22Å; F298-L302 WeakPolarHBondContact O-CG 3.3Å; F298-L302 PolarHBondContact O-N 2.95Å; V299-L302 PolarHBondContact O-N 3.39Å; L302-G305 PolarHBondContact O-N 3.33Å; L302-L306 WeakPolarHBondContact O-CG 3.21Å; L302-L306 PolarHBondContact O-N 3.48Å
303L92.6Very high85.5Confident110 Ų11098 Ų9858%0.57653%0.529SS*.Hα-helixtrans-64-41.7177.6-71.3171.1000112.1V299 T300 L306 F307V299-L303 HydrophobicContact CG1-CD1 4.04Å; V299-L303 VanDerWaalsContact O-CG 3.32Å; V299-L303 WeakPolarHBondContact O-CG 3.48Å; V299-L303 PolarHBondContact O-N 3.46Å; T300-L303 PolarHBondContact O-N 3.47Å; L303-L306 PolarHBondContact O-N 2.76Å; L303-F307 PolarHBondContact O-N 3.41Å
304A92.9Very high86.9Confident55 Ų5595.7 Ų95.746%0.45552%0.523SS..Hα-helixtrans-63.9-41.8175.800000111.9T300 G301 F307 L308T300-A304 WeakPolarHBondContact O-CB 3.33Å; T300-A304 PolarHBondContact O-N 3.41Å; G301-A304 PolarHBondContact O-N 3.24Å; A304-F307 PolarHBondContact O-N 3.06Å; A304-L308 WeakPolarHBondContact O-CG 3.41Å; A304-L308 PolarHBondContact O-N 3.1Å
305G93.5Very high88.3Confident33 Ų3392.1 Ų92.134%0.3451%0.514SS..Hα-helixtrans-61.2-45.8175.500000112.7G301 L302 F307 L308 V309G301-G305 PolarHBondContact O-N 3.27Å; L302-G305 PolarHBondContact O-N 3.33Å; G305-F307 VanDerWaalsContact C-N 3.3Å; G305-F307 PolarHBondContact O-N 3.33Å; G305-L308 PolarHBondContact O-N 3.32Å; G305-V309 WeakPolarHBondContact O-CG2 3.06Å; G305-V309 PolarHBondContact O-N 3.02Å; G305-V309 VanDerWaalsContact O-N 3.09Å
306L94.3Very high89.5Confident111 Ų11193.4 Ų93.458%0.58151%0.511SS*.Hα-helixtrans-60.7-39.5175.8-72.3170.3000112.1L302 L303 V309 L310L302-L306 WeakPolarHBondContact O-CG 3.21Å; L302-L306 PolarHBondContact O-N 3.48Å; L303-L306 PolarHBondContact O-N 2.76Å; L306-V309 PolarHBondContact O-N 2.89Å; L306-L310 WeakPolarHBondContact O-CG 3.48Å; L306-L310 PolarHBondContact O-N 2.71Å
307F94.2Very high90.2Very high135 Ų13597.7 Ų97.759%0.59252%0.518SS*.Hα-helixtrans-65.1-40.8177.6-164.7-104.1000112.4L303 A304 G305 L310 I311L303-F307 PolarHBondContact O-N 3.41Å; A304-F307 PolarHBondContact O-N 3.06Å; G305-F307 VanDerWaalsContact C-N 3.3Å; G305-F307 PolarHBondContact O-N 3.33Å; F307-L310 PolarHBondContact O-N 2.82Å; F307-I311 HydrophobicContact CD1-CD1 3.64Å; F307-I311 HydrophobicContact CD1-CG1 4.38Å; F307-I311 HydrophobicContact CE1-CD1 3.53Å; F307-I311 HydrophobicContact CE1-CG1 4.26Å; F307-I311 HydrophobicContact CZ-CD1 4.43Å; F307-I311 WeakPolarHBondContact O-CG1 3.4Å; F307-I311 PolarHBondContact O-N 3.24Å
308L94.4Very high90.6Very high112 Ų11297.1 Ų97.159%0.58652%0.517SS*.Hα-helixtrans-62.6-42.5175.1-71.8171.9000111.9A304 G305 L310 I311 V312A304-L308 WeakPolarHBondContact O-CG 3.41Å; A304-L308 PolarHBondContact O-N 3.1Å; G305-L308 PolarHBondContact O-N 3.32Å; L308-L310 VanDerWaalsContact C-N 3.33Å; L308-L310 PolarHBondContact O-N 3.02Å; L308-I311 PolarHBondContact O-N 2.98Å; L308-V312 WeakPolarHBondContact O-CG2 3.09Å; L308-V312 PolarHBondContact O-N 2.8Å
309V94.6Very high90.5Very high85 Ų8598.6 Ų98.652%0.51552%0.523SS..Hα-helixtrans-61.5-42.9176.1173.20000111G305 L306 I311 V312 I313G305-V309 WeakPolarHBondContact O-CG2 3.06Å; G305-V309 PolarHBondContact O-N 3.02Å; G305-V309 VanDerWaalsContact O-N 3.09Å; L306-V309 PolarHBondContact O-N 2.89Å; V309-I311 PolarHBondContact O-N 2.97Å; V309-V312 PolarHBondContact O-N 2.85Å; V309-I313 HydrophobicContact CG1-CD1 3.86Å; V309-I313 HydrophobicContact CG1-CG1 4.49Å; V309-I313 VanDerWaalsContact O-CG1 3.3Å; V309-I313 WeakPolarHBondContact O-CG1 3.49Å; V309-I313 PolarHBondContact O-N 2.98Å
310L93Very high89.8Confident99 Ų9998.6 Ų98.652%0.51852%0.521SS..Hα-helixtrans-62.2-41.6176.5-72.3171.4000112.3L306 F307 L308 V312 I313 I314L306-L310 WeakPolarHBondContact O-CG 3.48Å; L306-L310 PolarHBondContact O-N 2.71Å; F307-L310 PolarHBondContact O-N 2.82Å; L308-L310 VanDerWaalsContact C-N 3.33Å; L308-L310 PolarHBondContact O-N 3.02Å; L310-V312 PolarHBondContact O-N 3.07Å; L310-I313 PolarHBondContact O-N 2.66Å; L310-I314 VanDerWaalsContact O-CG1 3.27Å; L310-I314 WeakPolarHBondContact O-CG1 3.36Å; L310-I314 PolarHBondContact O-N 3.36Å
311I93.6Very high88.8Confident74 Ų74102.3 Ų102.338%0.37953%0.531SS..Hα-helixtrans-60.5-46.2175.4-69.3167.3000110.6F307 L308 V309 I313 I314 V315F307-I311 HydrophobicContact CD1-CD1 3.64Å; F307-I311 HydrophobicContact CD1-CG1 4.38Å; F307-I311 HydrophobicContact CE1-CD1 3.53Å; F307-I311 HydrophobicContact CE1-CG1 4.26Å; F307-I311 HydrophobicContact CZ-CD1 4.43Å; F307-I311 WeakPolarHBondContact O-CG1 3.4Å; F307-I311 PolarHBondContact O-N 3.24Å; L308-I311 PolarHBondContact O-N 2.98Å; V309-I311 PolarHBondContact O-N 2.97Å; I311-I313 VanDerWaalsContact C-N 3.32Å; I311-I313 PolarHBondContact O-N 3.2Å; I311-I314 PolarHBondContact O-N 3.28Å; I311-V315 HydrophobicContact CG2-CG2 4.35Å; I311-V315 WeakPolarHBondContact O-CG2 3.49Å; I311-V315 PolarHBondContact O-N 2.72Å
312V93.7Very high87.3Confident102 Ų102107.3 Ų107.362%0.61854%0.542SS*.Hα-helixtrans-59.9-43.4177.9172.80000111L308 V309 L310 V315 Y316L308-V312 WeakPolarHBondContact O-CG2 3.09Å; L308-V312 PolarHBondContact O-N 2.8Å; V309-V312 PolarHBondContact O-N 2.85Å; L310-V312 PolarHBondContact O-N 3.07Å; V312-V315 PolarHBondContact O-N 2.93Å; V312-Y316 WeakPolarHBondContact O-CB 3.47Å; V312-Y316 PolarHBondContact O-N 2.81Å
313I92.6Very high85.4Confident81 Ų81107 Ų10742%0.41554%0.544SS..Hα-helixtrans-62.3-44176.5-67.9166.8000110.9V309 L310 I311 Y316 R317V309-I313 HydrophobicContact CG1-CD1 3.86Å; V309-I313 HydrophobicContact CG1-CG1 4.49Å; V309-I313 VanDerWaalsContact O-CG1 3.3Å; V309-I313 WeakPolarHBondContact O-CG1 3.49Å; V309-I313 PolarHBondContact O-N 2.98Å; L310-I313 PolarHBondContact O-N 2.66Å; I311-I313 VanDerWaalsContact C-N 3.32Å; I311-I313 PolarHBondContact O-N 3.2Å; I313-Y316 PolarHBondContact O-N 3.41Å; I313-R317 HydrophobicContact CG2-CG 4.3Å; I313-R317 WeakPolarHBondContact O-CB 3.35Å; I313-R317 WeakPolarHBondContact O-CG 3.47Å; I313-R317 PolarHBondContact O-N 3.21Å
314I90.8Very high83.5Confident99 Ų99108.3 Ų108.351%0.50855%0.552SS.*Hα-helixtrans-62.9-46.5178.8-69.7165.5000110.6L310 I311 Y316 R317 M318L310-I314 VanDerWaalsContact O-CG1 3.27Å; L310-I314 WeakPolarHBondContact O-CG1 3.36Å; L310-I314 PolarHBondContact O-N 3.36Å; I311-I314 PolarHBondContact O-N 3.28Å; I314-Y316 VanDerWaalsContact C-N 3.34Å; I314-Y316 PolarHBondContact O-N 2.87Å; I314-R317 PolarHBondContact O-N 2.91Å; I314-M318 HydrophobicContact CG2-SD 4.05Å; I314-M318 WeakPolarHBondContact O-CG 3.21Å; I314-M318 PolarHBondContact O-N 3.05Å
315V91.2Very high81.4Confident86 Ų86113 Ų11352%0.52156%0.564SS.*Hα-helixtrans-61.8-42.3177.5172.30000111.1I311 V312 R317 M318 K319I311-V315 HydrophobicContact CG2-CG2 4.35Å; I311-V315 WeakPolarHBondContact O-CG2 3.49Å; I311-V315 PolarHBondContact O-N 2.72Å; V312-V315 PolarHBondContact O-N 2.93Å; V315-R317 PolarHBondContact O-N 3.24Å; V315-M318 PolarHBondContact O-N 2.93Å; V315-K319 PolarHBondContact O-N 2.71Å
316Y90.6Very high79.2Confident140 Ų140115.8 Ų115.855%0.54958%0.584SS.*Hα-helixtrans-61.6-44.1175.6-179.8-98.6000112V312 I313 I314 M318 K319 N320V312-Y316 WeakPolarHBondContact O-CB 3.47Å; V312-Y316 PolarHBondContact O-N 2.81Å; I313-Y316 PolarHBondContact O-N 3.41Å; I314-Y316 VanDerWaalsContact C-N 3.34Å; I314-Y316 PolarHBondContact O-N 2.87Å; Y316-M318 VanDerWaalsContact C-N 3.34Å; Y316-M318 PolarHBondContact O-N 3.03Å; Y316-K319 PolarHBondContact O-N 3.07Å; Y316-N320 PolarHBondContact O-N 2.98Å
317R86.1Confident76.8Confident180 Ų180115.2 Ų115.268%0.67960%0.595SS**Hα-helixtrans-64.4-37.3176.3-68.8-75.9-173.9175.51.1112.1I313 I314 V315 K321I313-R317 HydrophobicContact CG2-CG 4.3Å; I313-R317 WeakPolarHBondContact O-CB 3.35Å; I313-R317 WeakPolarHBondContact O-CG 3.47Å; I313-R317 PolarHBondContact O-N 3.21Å; I314-R317 PolarHBondContact O-N 2.91Å; V315-R317 PolarHBondContact O-N 3.24Å; R317-K321 WeakPolarHBondContact O-CB 3.43Å; R317-K321 PolarHBondContact O-N 2.8Å
318M82Confident74Confident122 Ų122112.4 Ų112.460%0.60161%0.605SS**Hα-helixtrans-65.4-41174.4-73.8174.951.100112I314 V315 Y316 K321 H322I314-M318 HydrophobicContact CG2-SD 4.05Å; I314-M318 WeakPolarHBondContact O-CG 3.21Å; I314-M318 PolarHBondContact O-N 3.05Å; V315-M318 PolarHBondContact O-N 2.93Å; Y316-M318 VanDerWaalsContact C-N 3.34Å; Y316-M318 PolarHBondContact O-N 3.03Å; M318-K321 PolarHBondContact O-N 3.47Å; M318-H322 PolarHBondContact O-N 3.16Å
319K79Confident71Confident157 Ų157114 Ų11468%0.68362%0.619SS**Hα-helixtrans-66-45.7178.2-166.9176.2-179.4-1800112.2V315 Y316 K321 H322 T323V315-K319 PolarHBondContact O-N 2.71Å; Y316-K319 PolarHBondContact O-N 3.07Å; K319-K321 VanDerWaalsContact C-N 3.28Å; K319-K321 PolarHBondContact O-N 3.37Å; K319-H322 PolarHBondContact O-N 3.43Å; K319-T323 PolarHBondContact O-OG1 3.28Å
320N69.6Low68.1Low74 Ų74118.3 Ų118.340%0.39663%0.631SS.*Hα-helixtrans-65.5-28.5177.2-101.17.8000113.4Y316 H322 T323Y316-N320 PolarHBondContact O-N 2.98Å; N320-H322 VanDerWaalsContact C-N 3.34Å; N320-T323 PolarHBondContact O-N 3.01Å
321K65.7Low65.2Low151 Ų151123.9 Ų123.966%0.65765%0.651SS**Hα-helixtrans-70.6-30.4177.4-163.3176.4-179.6-177.10112.5R317 M318 K319R317-K321 WeakPolarHBondContact O-CB 3.43Å; R317-K321 PolarHBondContact O-N 2.8Å; M318-K321 PolarHBondContact O-N 3.47Å; K319-K321 VanDerWaalsContact C-N 3.28Å; K319-K321 PolarHBondContact O-N 3.37Å
322H56.7Low62.3Low150 Ų150127.3 Ų127.369%0.69466%0.663SS**Hα-helixtrans-74.1-28.5175.6-94.3-84.2000113.4M318 K319 N320M318-H322 PolarHBondContact O-N 3.16Å; K319-H322 PolarHBondContact O-N 3.43Å; N320-H322 VanDerWaalsContact C-N 3.34Å
323T51.8Low59.1Low91 Ų91132.4 Ų132.456%0.55868%0.677SS**Hα-helixtrans-74.8-27.2179.4-310000112.7K319 N320 Q325K319-T323 PolarHBondContact O-OG1 3.28Å; N320-T323 PolarHBondContact O-N 3.01Å; T323-Q325 VanDerWaalsContact C-N 3.33Å; T323-Q325 PolarHBondContact O-N 2.98Å
324N52.2Low56.4Low138 Ų138135.4 Ų135.474%0.73869%0.689SS**THydrogen-bonded Turntrans-84.62.1-179.4-69.3-22.4000114.7
325Q49.8Very low53.1Low153 Ų153140.1 Ų140.172%0.71571%0.709SS**THydrogen-bonded Turntrans-1051.2176.4-73.4-174.4-23.500113.9T323T323-Q325 VanDerWaalsContact C-N 3.33Å; T323-Q325 PolarHBondContact O-N 2.98Å
326A48Very low50.1Low92 Ų92141.5 Ų141.576%0.7672%0.721SS**SBendtrans-93.11.318000000114.9
327A42.4Very low46.9Very low98 Ų98140.4 Ų140.481%0.8173%0.734SS**SBendtrans-127.990.2178.800000111.3
328G35.8Very low44Very low77 Ų77139.4 Ų139.479%0.79474%0.741SS**  trans167.688.2173.100000114.1
329T32.2Very low41.7Very low144 Ų144142.4 Ų142.488%0.88375%0.751SS**  trans-73.2127.5176.3190000113.9
330F33.9Very low39Very low177 Ų177140 Ų14078%0.77675%0.754SS**  trans36.3108137-114.7-101.3000120.7K332F330-K332 HydrophobicContact CD1-CB 4.48Å; F330-K332 HydrophobicContact CE1-CB 4.21Å; F330-K332 HydrophobicContact CE1-CD 4.5Å
331K31.8Very low37.3Very low216 Ų216143.2 Ų143.294%0.93977%0.77SS**  trans-133.7119.8134.2-92.3-170.4179.9178.20109.5
332K32Very low35.4Very low145 Ų145145.1 Ų145.163%0.6378%0.778SS**  trans-83.7128-178.4-159.7-175.8-177.9-154.40109.8F330 E334F330-K332 HydrophobicContact CD1-CB 4.48Å; F330-K332 HydrophobicContact CE1-CB 4.21Å; F330-K332 HydrophobicContact CE1-CD 4.5Å; K332-E334 VanDerWaalsContact CE-OE1 3.28Å; K332-E334 WeakPolarHBondContact CE-OE1 3.36Å; K332-E334 IonicContact NZ-OE1 3.71Å; K332-E334 PolarHBondContact NZ-OE1 3.31Å
333K27Very low34.3Very low210 Ų210149.5 Ų149.591%0.91379%0.788SS**  trans-140.6120.1152.9-118.9-177.7-177.9-178.50107.9
334E35.7Very low33.1Very low144 Ų144153.7 Ų153.767%0.67380%0.804SS**  trans-77.1132.7-177.1-71.3171.1170.300111.2K332K332-E334 VanDerWaalsContact CE-OE1 3.28Å; K332-E334 WeakPolarHBondContact CE-OE1 3.36Å; K332-E334 IonicContact NZ-OE1 3.71Å; K332-E334 PolarHBondContact NZ-OE1 3.31Å
335H22.6Very low32.3Very low198 Ų198153.1 Ų153.192%0.91780%0.796SS**  -167.7143.2129.2-121.6-96.1000111.1
336C26.4Very low31.6Very low114 Ų114152.5 Ų152.577%0.7780%0.803SS**  trans-70.8139.4-163-158.40000115.6
337S23.7Very low31.3Very low117 Ų117152.6 Ų152.682%0.81879%0.794SS**  trans177.9146.913344.40000113.7
338L26.7Very low31.1Very low160 Ų160154.5 Ų154.584%0.83879%0.786SS**  trans-56.2143-169.9-92.869.3000117.1
339F32.1Very low31.2Very low185 Ų185156.9 Ų156.981%0.81178%0.779SS**  trans35.6107133.1-123.1-98.3000118I341F339-I341 HydrophobicContact CE1-CD1 4.11Å; F339-I341 HydrophobicContact CE1-CG1 4.46Å
340S23.7Very low31.5Very low105 Ų105157.7 Ų157.773%0.73477%0.771SS**  trans-146.998.1157.8-151.70000111.9K342S340-K342 PolarHBondContact O-N 3.23Å
341I32.6Very low31.7Very low143 Ų143154.8 Ų154.873%0.73376%0.763SS**  trans-71.999.5160.4-64.8171.5000106.4F339 R343F339-I341 HydrophobicContact CE1-CD1 4.11Å; F339-I341 HydrophobicContact CE1-CG1 4.46Å; I341-R343 PolarHBondContact O-N 3.43Å; I341-R343 VanDerWaalsContact O-N 3.11Å
342K27.1Very low31.9Very low191 Ų191152 Ų15283%0.8375%0.751SS**  trans-70.4102.3168.5-86.6-176.3175.6178.60109.5S340 M344S340-K342 PolarHBondContact O-N 3.23Å; K342-M344 PolarHBondContact O-N 3.38Å
343R32.2Very low32.2Very low242 Ų242152.4 Ų152.491%0.91375%0.753SS**  trans-53.4117.8152.7-102.5178.7166.4173.6-3.7108.5I341I341-R343 PolarHBondContact O-N 3.43Å; I341-R343 VanDerWaalsContact O-N 3.11Å
344M27.4Very low32.9Very low178 Ų178147.6 Ų147.688%0.87774%0.737SS**  trans-101.597.3169.5-156.4160.680.900110.3K342K342-M344 PolarHBondContact O-N 3.38Å
345Q34.6Very low33Very low126 Ų126148.9 Ų148.959%0.58974%0.74SS**  trans57.892140.3-58.3-160.7-19.800121.4
346V35Very low33.8Very low141 Ų141143.5 Ų143.586%0.85572%0.721SS**SBendtrans-102.15.3148.4177.60000111
347T42.6Very low34.3Very low94 Ų94148.4 Ų148.458%0.57772%0.724SS**Hα-helixtrans-91.72.8-169.98.40000115.9
348H37.1Very low35Very low137 Ų137146.4 Ų146.463%0.63472%0.715SS**Hα-helixtrans-90.2-14.2-178.3-109.9-86.6000115.3
349I38.3Very low35.3Very low127 Ų127147.5 Ų147.565%0.65171%0.713SS**Hα-helixtrans-88.5-37.1177.4-63.4173.5000110.9L351 F352 F353I349-L351 PolarHBondContact O-N 3.13Å; I349-F352 PolarHBondContact O-N 3.45Å; I349-F353 HydrophobicContact CG2-CD2 4.49Å; I349-F353 HydrophobicContact CG2-CE2 4.34Å; I349-F353 WeakPolarHBondContact O-CD2 3.24Å
350F38.2Very low35.4Very low161 Ų161146.5 Ų146.571%0.70672%0.715SS**Hα-helixtrans-70.9-32-177.8-113.1-93.7000114.2
351L39.7Very low35.8Very low116 Ų116146.4 Ų146.461%0.60772%0.715SS**Hα-helixtrans-80.1-16.5179.1-79.8166.6000113.8I349 K355I349-L351 PolarHBondContact O-N 3.13Å; L351-K355 PolarHBondContact O-N 3.35Å
352F35.8Very low35.8Very low159 Ų159151 Ų15170%0.69772%0.723SS**Hα-helixtrans-75.4-34.6173.9-154.7-94000111.7I349 T356I349-F352 PolarHBondContact O-N 3.45Å; F352-T356 PolarHBondContact O-OG1 3.49Å
353F37.6Very low36Very low152 Ų152146.7 Ų146.767%0.66772%0.717SS**Hα-helixtrans-75-30177-82-77000114I349 T356I349-F353 HydrophobicContact CG2-CD2 4.49Å; I349-F353 HydrophobicContact CG2-CE2 4.34Å; I349-F353 WeakPolarHBondContact O-CD2 3.24Å; F353-T356 PolarHBondContact O-OG1 3.32Å
354L42Very low35.7Very low110 Ų110142.7 Ų142.758%0.57671%0.713SS**Hα-helixtrans-78-26.9177-72.6168.5000113A358L354-A358 PolarHBondContact O-N 3.48Å
355K37.2Very low35.6Very low170 Ų170145.2 Ų145.274%0.73972%0.715SS**Hα-helixtrans-81.3-21.6-179.5-146.4171.3-173.11780113.5L351L351-K355 PolarHBondContact O-N 3.35Å
356T39.1Very low35.2Very low86 Ų86148.6 Ų148.653%0.52873%0.728SS.*Hα-helixtrans-79.5-3017131.10000112.3F352 F353F352-T356 PolarHBondContact O-OG1 3.49Å; F353-T356 PolarHBondContact O-OG1 3.32Å
357R37.4Very low34.8Very low216 Ų216149.6 Ų149.682%0.81572%0.723SS**Hα-helixtrans-77.5-24.7177-141.5173-173.6165.91.5114
358A38.5Very low34.1Very low76 Ų76154.4 Ų154.463%0.62874%0.738SS**THydrogen-bonded Turntrans-87-6.3179.900000115.1L354L354-A358 PolarHBondContact O-N 3.48Å
359K33.3Very low33.5Very low183 Ų183154.3 Ų154.380%0.79674%0.743SS**SBendtrans-96.7-9.5-179.4-137.3177.2-177.2-175.40114.4
360N34.1Very low33Very low163 Ų163158.8 Ų158.887%0.87275%0.751SS**SBendtrans-98.74.8177.6-108.79.2000114.9
361S32.9Very low32.5Very low104 Ų104157.2 Ų157.273%0.72776%0.755SS**SBendtrans-112.215.9179.5-173.20000113.8
362R31.6Very low31.8Very low240 Ų240154.9 Ų154.991%0.90676%0.759SS**  trans-122.668.7171.4-87.5-175.6179172-0.7110.3
363S31.6Very low31.3Very low99 Ų99157 Ų15769%0.69277%0.77SS**SBendtrans-147.9130154.1-179.90000107.2
364N26Very low30.8Very low158 Ų158157.7 Ų157.785%0.84578%0.776SS**  trans83.277179.2-61.5-31.1000118.7
365Y25Very low30.3Very low232 Ų232157.9 Ų157.991%0.9178%0.784SS**  trans-91.1122.6138.1-119.2-88.8000108.1
366K27.1Very low29.6Very low197 Ų197154.5 Ų154.586%0.85778%0.778SS**  trans-167.2117.3139.8-110174.3-175.2-178.20112.8
367H26.3Very low28.8Very low162 Ų162159.4 Ų159.475%0.7579%0.788SS**  trans32.7123.6149.2-73.2-52.8000122.5
368H27.1Very low28.2Very low195 Ų195158.8 Ų158.890%0.90379%0.785SS**  -162.5173.4106-108.7-60.8000112.2
369N24.7Very low27.9Very low135 Ų135164.1 Ų164.172%0.72280%0.797SS**  trans-119163.3-139.9-132.7-7.6000113
370R28.2Very low27.6Very low221 Ų221161 Ų16183%0.83480%0.796SS**  trans70.3144.5159.4-73.3-176.6174.7169-2.1117.4
371T27Very low27.4Very low127 Ų127158.2 Ų158.278%0.77979%0.787SS**  cis-166.8134.21016.40000104.9
372G24.5Very low26.9Very low68 Ų68160.8 Ų160.870%0.70179%0.791SS**  96.9103.185.500000113.2
373H27.1Very low26.7Very low202 Ų202158.9 Ų158.994%0.93579%0.79SS**  trans169.1142134.1-93.3-39.7000113
374Q25.9Very low26.4Very low168 Ų168160.8 Ų160.879%0.78579%0.791SS**  trans-131.9139.4-179.4-174.4176.8-1.500107
375P31Very low26.3Very low113 Ų113159.3 Ų159.373%0.73479%0.791SS**  -148.5130.5117.524-2.1000112.8
376T23.6Very low26.4Very low100 Ų100159.9 Ų159.961%0.61379%0.792SS**  69.6143.184.855.70000118.3
377Y22.8Very low26.3Very low189 Ų189156.6 Ų156.674%0.74179%0.793SS**  trans93.5138.2164.4-73.2-71.9000118.1
378R23.3Very low26.3Very low203 Ų203158.8 Ų158.877%0.76680%0.8SS**  cis-166.5141.4-1.5-158178.6-89.4-168.6-4.4106.9
379Q32.1Very low26.5Very low188 Ų188155.7 Ų155.788%0.87980%0.797SS**  trans-96.7147.9165.8-87.4-176.4-17.400110.4
380P27.8Very low26.7Very low117 Ų117154.1 Ų154.176%0.7680%0.803SS**  -154.3-172.7109.939.3-20.6000113.8
381P29.8Very low26.8Very low105 Ų105152.7 Ų152.768%0.68281%0.806SS**  -124.2168-54.235.6-20.1000113.5
382L23.5Very low27.2Very low157 Ų157155.7 Ų155.782%0.82281%0.811SS**  trans-67.1138.9170.9-91.586.3000112.7
383F26Very low27.8Very low200 Ų200159 Ų15988%0.87782%0.817SS**  trans-112.6126.5154.3-86.9-85.7000110.9
384I24.9Very low28.3Very low139 Ų139158.6 Ų158.671%0.71382%0.816SS**  trans-87.7134.7179.3-64.5166.5000108.9
385C24.6Very low29.1Very low127 Ų127160.2 Ų160.286%0.85882%0.82SS**  trans-129.9117.6159-85.10000110
386R26.5Very low29.4Very low244 Ų244163.1 Ų163.192%0.92182%0.821SS**  trans-77.8134.2171.5-86.4-178.5173.7173.8-1.9110
387C25.5Very low30.2Very low129 Ų129166 Ų16687%0.87283%0.833SS**  trans-78.4147.6172.7-68.80000112.3
388K27.5Very low31Very low207 Ų207166.1 Ų166.190%0.984%0.84SS**  trans-121150.3156.7-96.9-174.5177.8179.90109.8
389P30.2Very low32.1Very low130 Ų130164.7 Ų164.784%0.84484%0.842SS**  trans-86.1152.2-161.4-5.725000114.4
390A28.6Very low32.6Very low102 Ų102164.6 Ų164.684%0.84384%0.842SS**  trans-84.5119.8179.900000112.6
391Q31.7Very low33.3Very low191 Ų191167 Ų16789%0.89385%0.847SS**  trans-139.399.8151.2-88.3-174.1-21.100106.9
392Q34.4Very low34Very low191 Ų191173.2 Ų173.289%0.89386%0.857SS**  trans168.573.4151.2-95.8-169.924.200110.4
393V36Very low35.2Very low138 Ų138175.2 Ų175.284%0.83686%0.859SS**  trans-141.767.5158.4-169.40000108.8
394Q39.7Very low35.9Very low193 Ų193177.5 Ų177.590%0.90286%0.862SS**SBendtrans-136.929.4167.1-150162.3-14.800111.9
395K41Very low36.9Very low202 Ų202178.9 Ų178.988%0.87887%0.87SS**SBendtrans-133.822.2178.1-88.7-168.7175.8-176.90115.1
396K38.4Very low38Very low173 Ų173178.3 Ų178.375%0.75287%0.865SS**SBendtrans-114.93.4179.9-116.9-177.9-179.7-178.10116.4
397N39.3Very low39.3Very low161 Ų161172.8 Ų172.886%0.86186%0.861SS**SBendtrans-1032.2178.2-76.90.4000115
398E40.4Very low40.5Very low192 Ų192175.2 Ų175.290%0.89789%0.89SS**SBendtrans-105.53.8174.7-82.7-165.8142.300114.9
399Q45.7Very low41.1Very low172 Ų172173.6 Ų173.680%0.80489%0.889SS**SBendtrans-113.76.2-177.9-101.3-178.4-11.600116.2
400Q43Very low41.7Very low187 Ų187175.9 Ų175.987%0.87489%0.891SS**SBendtrans-108.1-0.2173.6-88.8-171.9-25.400115.2R402Q400-R402 PolarHBondContact O-N 3.21Å
401L42.2Very low42.4Very low167 Ų167180 Ų18087%0.87489%0.894SS**SBendtrans-95.127.5174.6-149.477.6000113.7
402R45.1Very low43.1Very low235 Ų235179.4 Ų179.489%0.88789%0.894SS**SBendtrans-138.745176.8-95.7-160.6-171-154.44.9113Q400Q400-R402 PolarHBondContact O-N 3.21Å
403K48.7Very low43.6Very low199 Ų199178.6 Ų178.687%0.86589%0.894SS**  trans-149.364166.4-69.9-166-179.5-1790112.3
404R41.1Very low44.1Very low248 Ų248181.3 Ų181.394%0.93690%0.898SS**  trans-152.682.5155.8-73.7-161.5-166.6-153.53.4110
405L45.9Very low44.4Very low168 Ų168180.5 Ų180.588%0.8890%0.898SS**  trans-134.3136149.1-105.1104.1000107.4
406P47.5Very low44.7Very low115 Ų115178.8 Ų178.875%0.74790%0.899SS**  trans-77.8154.5175.631.4-31.1000111.1
407P53.8Low45.2Very low129 Ų129179.3 Ų179.384%0.83891%0.912SS**  trans-74.6156175.632.3-32000111.3
408A50.3Low45.8Very low179 Ų179181 Ų181100%1.47992%0.916SS**  trans-64.20-17300000115

Retrieved 408 of 408 residues in 237.7 ms (Link to these results)