A0A087X4B2_POEFO Loading...

Mitochondrial import inner membrane translocase subunit Tim21

Essential component of the TIM23 complex, a complex that mediates the translocation of transit peptide-containing proteins across the mitochondrial inner membrane.

AlphaFold DB , UniProt , Accession A0A087X4B2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 242 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
1M54.2Low68Low227 Ų227129.2 Ų129.2100%1.11865%0.652SS**  0-18.30-65.7-153.2-130.200115.2
2M58.2Low67.9Low163 Ų163129.7 Ų129.780%0.80365%0.649SS**Hα-helixtrans-81.4-20.3-177.1-57.9-141.49500115.8H6M2-H6 PolarHBondContact O-N 3.45Å
3V64.8Low67.5Low113 Ų113134.6 Ų134.669%0.68566%0.656SS**Hα-helixtrans-68.5-40178.2-179.40000111.3A5 H6 I7V3-A5 PolarHBondContact O-N 3.41Å; V3-H6 PolarHBondContact O-N 2.87Å; V3-I7 HydrophobicContact CG1-CD1 4.03Å; V3-I7 WeakPolarHBondContact O-CG1 3.32Å; V3-I7 PolarHBondContact O-N 3.28Å; V3-I7 VanDerWaalsContact O-N 3.11Å
4Y67.5Low66.9Low182 Ų182131.6 Ų131.671%0.71464%0.644SS**Hα-helixtrans-66.5-38.1179.7-134.5-92000112H6 I7 L8Y4-H6 VanDerWaalsContact C-N 3.29Å; Y4-H6 PolarHBondContact O-N 3.3Å; Y4-I7 PolarHBondContact O-N 3.24Å; Y4-L8 WeakPolarHBondContact O-CB 3.39Å; Y4-L8 PolarHBondContact O-N 3.26Å
5A69.4Low66.4Low48 Ų48130 Ų13040%0.39764%0.639SS.*Hα-helixtrans-65.3-32.5175.800000112.6V3 K9V3-A5 PolarHBondContact O-N 3.41Å; A5-K9 WeakPolarHBondContact O-CB 3.18Å; A5-K9 WeakPolarHBondContact O-CG 3.39Å; A5-K9 PolarHBondContact O-N 2.79Å; A5-K9 VanDerWaalsContact O-N 3.1Å
6H68.7Low65.8Low137 Ų137133.9 Ų133.963%0.63464%0.644SS**Hα-helixtrans-71.8-43.2176.2-123-67000111.8M2 V3 Y4 L8 K9 V10M2-H6 PolarHBondContact O-N 3.45Å; V3-H6 PolarHBondContact O-N 2.87Å; Y4-H6 VanDerWaalsContact C-N 3.29Å; Y4-H6 PolarHBondContact O-N 3.3Å; H6-L8 VanDerWaalsContact C-N 3.35Å; H6-K9 PolarHBondContact O-N 2.83Å; H6-V10 VanDerWaalsContact O-CG2 3.28Å; H6-V10 WeakPolarHBondContact O-CG2 3.44Å; H6-V10 PolarHBondContact O-N 3.02Å
7I74.1Confident64.9Low105 Ų105133.8 Ų133.854%0.53864%0.643SS.*Hα-helixtrans-63.7-42.4176.3-63.9167.9000110.4V3 Y4 K9 V10 L11V3-I7 HydrophobicContact CG1-CD1 4.03Å; V3-I7 WeakPolarHBondContact O-CG1 3.32Å; V3-I7 PolarHBondContact O-N 3.28Å; V3-I7 VanDerWaalsContact O-N 3.11Å; Y4-I7 PolarHBondContact O-N 3.24Å; I7-K9 PolarHBondContact O-N 3.44Å; I7-V10 PolarHBondContact O-N 3.43Å; I7-L11 WeakPolarHBondContact O-CB 3.17Å; I7-L11 PolarHBondContact O-N 2.81Å
8L74.9Confident64.4Low109 Ų109130.2 Ų130.257%0.57163%0.631SS**Hα-helixtrans-64.2-40.2178.2-152.582.6000112.1Y4 H6 L11 H12Y4-L8 WeakPolarHBondContact O-CB 3.39Å; Y4-L8 PolarHBondContact O-N 3.26Å; H6-L8 VanDerWaalsContact C-N 3.35Å; L8-L11 PolarHBondContact O-N 2.92Å; L8-H12 VanDerWaalsContact O-CB 3.31Å; L8-H12 WeakPolarHBondContact O-CB 3.45Å; L8-H12 PolarHBondContact O-N 2.97Å
9K70.3Confident63.8Low146 Ų146126.5 Ų126.564%0.63562%0.624SS**Hα-helixtrans-66.8-37.2175.5-79.3177.8-178.1175.50112.5A5 H6 I7 R13A5-K9 WeakPolarHBondContact O-CB 3.18Å; A5-K9 WeakPolarHBondContact O-CG 3.39Å; A5-K9 PolarHBondContact O-N 2.79Å; A5-K9 VanDerWaalsContact O-N 3.1Å; H6-K9 PolarHBondContact O-N 2.83Å; I7-K9 PolarHBondContact O-N 3.44Å; K9-R13 WeakPolarHBondContact O-CG 3.42Å; K9-R13 PolarHBondContact O-N 3.48Å; K9-R13 VanDerWaalsContact O-N 3.1Å
10V72.7Confident63.4Low90 Ų90124.9 Ų124.955%0.54562%0.621SS.*Hα-helixtrans-68.6-43.2176.6171.20000110.6H6 I7 H12 R13 N14H6-V10 VanDerWaalsContact O-CG2 3.28Å; H6-V10 WeakPolarHBondContact O-CG2 3.44Å; H6-V10 PolarHBondContact O-N 3.02Å; I7-V10 PolarHBondContact O-N 3.43Å; V10-H12 PolarHBondContact O-N 2.83Å; V10-R13 PolarHBondContact O-N 3.23Å; V10-N14 PolarHBondContact O-N 2.8Å; V10-N14 VanDerWaalsContact O-N 3.08Å
11L73Confident62.9Low101 Ų101126.3 Ų126.353%0.52963%0.626SS.*Hα-helixtrans-61.5-45175.6-172.868.5000111.5I7 L8 R13 N14 L15I7-L11 WeakPolarHBondContact O-CB 3.17Å; I7-L11 PolarHBondContact O-N 2.81Å; L8-L11 PolarHBondContact O-N 2.92Å; L11-R13 VanDerWaalsContact C-N 3.31Å; L11-R13 PolarHBondContact O-N 2.78Å; L11-N14 PolarHBondContact O-N 2.93Å; L11-L15 HydrophobicContact CD1-CD1 4.39Å; L11-L15 HydrophobicContact CG-CD1 4.03Å; L11-L15 PolarHBondContact O-N 2.89Å
12H67.6Low62.9Low135 Ų135121.5 Ų121.563%0.62560%0.604SS**Hα-helixtrans-67.5-29.6-179.9-158.2-79.6000112.9L8 V10 R16L8-H12 VanDerWaalsContact O-CB 3.31Å; L8-H12 WeakPolarHBondContact O-CB 3.45Å; L8-H12 PolarHBondContact O-N 2.97Å; V10-H12 PolarHBondContact O-N 2.83Å; H12-R16 PolarHBondContact O-N 3.37Å
13R62.5Low62.5Low194 Ų194118.1 Ų118.173%0.73260%0.595SS**Hα-helixtrans-71.1-39.7171.8-78.8179.4172.2-179-2.6111.9K9 V10 L11 R16 Q17K9-R13 WeakPolarHBondContact O-CG 3.42Å; K9-R13 PolarHBondContact O-N 3.48Å; K9-R13 VanDerWaalsContact O-N 3.1Å; V10-R13 PolarHBondContact O-N 3.23Å; L11-R13 VanDerWaalsContact C-N 3.31Å; L11-R13 PolarHBondContact O-N 2.78Å; R13-R16 PolarHBondContact O-N 2.81Å; R13-Q17 PolarHBondContact O-N 3.48Å
14N59.2Low61.9Low92 Ų92118 Ų11849%0.49260%0.595SS.*Hα-helixtrans-69-41.1-179.1-158.1-59.9000112.1V10 L11 R16 Q17 T18V10-N14 PolarHBondContact O-N 2.8Å; V10-N14 VanDerWaalsContact O-N 3.08Å; L11-N14 PolarHBondContact O-N 2.93Å; N14-R16 VanDerWaalsContact C-N 3.28Å; N14-R16 PolarHBondContact O-N 3.15Å; N14-Q17 PolarHBondContact O-N 3.01Å; N14-T18 PolarHBondContact O-N 2.84Å; N14-T18 VanDerWaalsContact O-N 3.1Å; N14-T18 PolarHBondContact O-OG1 3.21Å
15L59.3Low61Low108 Ų108115.7 Ų115.757%0.56559%0.59SS**Hα-helixtrans-59.5-36.1173-99.6130.4000113.1L11 T18 A19L11-L15 HydrophobicContact CD1-CD1 4.39Å; L11-L15 HydrophobicContact CG-CD1 4.03Å; L11-L15 PolarHBondContact O-N 2.89Å; L15-T18 WeakPolarHBondContact CA-OG1 3.17Å; L15-T18 PolarHBondContact O-OG1 2.82Å; L15-A19 WeakPolarHBondContact O-CB 3.44Å; L15-A19 PolarHBondContact O-N 2.8Å; L15-A19 VanDerWaalsContact O-N 3.09Å
16R57.1Low59.9Low193 Ų193123 Ų12373%0.72861%0.607SS**Hα-helixtrans-71.7-32.2179.8-137.3174.9-172.6-172.91.9112.4H12 R13 N14 T20H12-R16 PolarHBondContact O-N 3.37Å; R13-R16 PolarHBondContact O-N 2.81Å; N14-R16 VanDerWaalsContact C-N 3.28Å; N14-R16 PolarHBondContact O-N 3.15Å; R16-T20 PolarHBondContact O-OG1 3.04Å
17Q50.5Low58.8Low132 Ų132121 Ų12162%0.61761%0.608SS**Hα-helixtrans-75.7-35.5176.2-72.2177.5-27.500112.4R13 N14 T20 Q21R13-Q17 PolarHBondContact O-N 3.48Å; N14-Q17 PolarHBondContact O-N 3.01Å; Q17-T20 PolarHBondContact O-OG1 3.31Å; Q17-Q21 PolarHBondContact O-N 2.9Å
18T54.5Low57.4Low69 Ų69124.5 Ų124.542%0.42362%0.616SS.*Hα-helixtrans-72.3-36175.324.10000112.5N14 L15 T20 Q21 L22N14-T18 PolarHBondContact O-N 2.84Å; N14-T18 VanDerWaalsContact O-N 3.1Å; N14-T18 PolarHBondContact O-OG1 3.21Å; L15-T18 WeakPolarHBondContact CA-OG1 3.17Å; L15-T18 PolarHBondContact O-OG1 2.82Å; T18-T20 VanDerWaalsContact C-N 3.32Å; T18-T20 PolarHBondContact O-N 2.81Å; T18-Q21 PolarHBondContact O-N 2.94Å; T18-L22 PolarHBondContact O-N 3.28Å
19A53.8Low56.1Low60 Ų60123.1 Ų123.150%0.49661%0.611SS.*Hα-helixtrans-63.7-34.4175.600000113.1L15 C23L15-A19 WeakPolarHBondContact O-CB 3.44Å; L15-A19 PolarHBondContact O-N 2.8Å; L15-A19 VanDerWaalsContact O-N 3.09Å; A19-C23 PolarHBondContact O-N 2.97Å
20T55.2Low54.9Low94 Ų94120.9 Ų120.958%0.57761%0.61SS**Hα-helixtrans-73.3-37.2177.417.80000112.2R16 Q17 T18 V24R16-T20 PolarHBondContact O-OG1 3.04Å; Q17-T20 PolarHBondContact O-OG1 3.31Å; T18-T20 VanDerWaalsContact C-N 3.32Å; T18-T20 PolarHBondContact O-N 2.81Å; T20-V24 WeakPolarHBondContact O-CG2 3.47Å; T20-V24 PolarHBondContact O-N 3.11Å
21Q52.8Low53.3Low154 Ų154124.2 Ų124.272%0.7262%0.619SS**Hα-helixtrans-67-40.8174.3-78.9-93.1-23.200112.7Q17 T18 H25Q17-Q21 PolarHBondContact O-N 2.9Å; T18-Q21 PolarHBondContact O-N 2.94Å; Q21-H25 PolarHBondContact O-N 3.47Å
22L54.6Low51.9Low126 Ų126123.9 Ų123.966%0.6662%0.621SS**Hα-helixtrans-68.9-34.7178-107.6112.6000113.3T18 H25 R26T18-L22 PolarHBondContact O-N 3.28Å; L22-H25 PolarHBondContact O-N 3.46Å; L22-R26 WeakPolarHBondContact O-CB 3.24Å; L22-R26 PolarHBondContact O-N 3.23Å; L22-R26 VanDerWaalsContact O-N 3.09Å
23C49.7Very low50.5Low92 Ų92125.4 Ų125.462%0.62263%0.628SS**Hα-helixtrans-64.3-41.3177.4-1080000112.3A19 C27A19-C23 PolarHBondContact O-N 2.97Å; C23-C27 PolarHBondContact O-N 2.87Å
24V53.1Low49.4Very low110 Ų110126.9 Ų126.967%0.66763%0.634SS**Hα-helixtrans-68.7-38.8179-179.90000111.1T20 Y28T20-V24 WeakPolarHBondContact O-CG2 3.47Å; T20-V24 PolarHBondContact O-N 3.11Å; V24-Y28 PolarHBondContact O-N 3.09Å
25H47.1Very low48.6Very low135 Ų135127.6 Ų127.663%0.62564%0.642SS**Hα-helixtrans-70.9-35.1-179.6-160.333.8000113Q21 L22 Y28 V29Q21-H25 PolarHBondContact O-N 3.47Å; L22-H25 PolarHBondContact O-N 3.46Å; H25-Y28 PolarHBondContact O-N 2.72Å; H25-V29 PolarHBondContact O-N 2.84Å
26R46.9Very low47.6Very low200 Ų200130.6 Ų130.676%0.75566%0.657SS**Hα-helixtrans-71.7-30.9178.9-145.7-179.9-178.8-164.50112.9L22 V30L22-R26 WeakPolarHBondContact O-CB 3.24Å; L22-R26 PolarHBondContact O-N 3.23Å; L22-R26 VanDerWaalsContact O-N 3.09Å; R26-V30 WeakPolarHBondContact O-CG2 3.46Å
27C44.9Very low46.5Very low95 Ų95126.4 Ų126.464%0.64266%0.658SS**Hα-helixtrans-68.2-33.5172.9-97.90000113C23C23-C27 PolarHBondContact O-N 2.87Å
28Y46.3Very low45.7Very low179 Ų179127 Ų12770%0.70267%0.67SS**Hα-helixtrans-71.1-36.6-179.3-156.9-96.2000112.8V24 H25V24-Y28 PolarHBondContact O-N 3.09Å; H25-Y28 PolarHBondContact O-N 2.72Å
29V47.3Very low44.7Very low80 Ų80127.5 Ų127.549%0.48568%0.682SS.*Hα-helixtrans-75.4-28.9-178.1176.70000112.8H25 H31 T32H25-V29 PolarHBondContact O-N 2.84Å; V29-H31 VanDerWaalsContact C-N 3.34Å; V29-T32 PolarHBondContact O-OG1 3.3Å
30V44.8Very low44.2Very low100 Ų100130.8 Ų130.861%0.60670%0.698SS**Hα-helixtrans-74.4-26.9179.51740000112R26R26-V30 WeakPolarHBondContact O-CG2 3.46Å
31H38.6Very low42.9Very low160 Ų160130.8 Ų130.874%0.74171%0.708SS**Hα-helixtrans-80.4-23.6-176.6-125.1-75.1000114.1V29V29-H31 VanDerWaalsContact C-N 3.34Å
32T44.7Very low41.8Very low93 Ų93132.3 Ų132.357%0.57171%0.712SS**Hα-helixtrans-82.9-20.3179.752.60000113.5V29V29-T32 PolarHBondContact O-OG1 3.3Å
33H37.8Very low40.6Very low167 Ų167133.2 Ų133.277%0.77372%0.723SS**THydrogen-bonded Turntrans-90.23-174.3-116.6-84.6000115.2
34R39.9Very low39.7Very low226 Ų226139.3 Ų139.385%0.85373%0.732SS**THydrogen-bonded Turntrans-113.61.3-173.9-119-177.3-174.2-1791.9116.2
35T42.1Very low38.4Very low106 Ų106142.5 Ų142.565%0.6575%0.745SS**SBendtrans-13484.2177.750.90000110.6
36L38.8Very low37.5Very low171 Ų171139.3 Ų139.390%0.89575%0.749SS**  trans148.9116.3168.1-85.8144.7000104.2
37S32.2Very low36.7Very low106 Ų106135.8 Ų135.874%0.74176%0.755SS**  cis-169122.333.8177.60000108.1
38T35.2Very low35.9Very low143 Ų143140.8 Ų140.888%0.87777%0.765SS**  trans-73.9124.3153.9-60.20000106.6
39A33.6Very low35.1Very low80 Ų80138.8 Ų138.866%0.66177%0.772SS**  trans-59.9160.1173.500000111.2
40P41.8Very low34.1Very low129 Ų129139.7 Ų139.784%0.83878%0.782SS**  -152.4-176.358.537.2-13.6000117.9
41A28.7Very low33.4Very low94 Ų94139.4 Ų139.478%0.77778%0.784SS**  trans95.8102.2150.400000121.9
42F30.4Very low33.2Very low187 Ų187138.7 Ų138.782%0.8279%0.785SS**  37.8112.3117.7-149.2-90.3000121
43V29.1Very low32.4Very low144 Ų144140.3 Ų140.387%0.87379%0.79SS**  trans-155.4135.6136.6178.80000110.5
44R29.6Very low31.9Very low220 Ų220137.1 Ų137.183%0.8379%0.785SS**  trans-65.9143.7170.7-80.6173.9168.4178.6-3.4112.8
45L26.3Very low31.6Very low178 Ų178134.7 Ų134.793%0.93279%0.788SS**  trans-155.3127132.2-159.160.5000110
46G29.2Very low31.1Very low68 Ų68134 Ų13470%0.70179%0.793SS**  trans-99.6163.8-17700000113.4
47S29.7Very low30.9Very low126 Ų126130.1 Ų130.188%0.88179%0.786SS**  trans-163.3124.6144.442.60000109.2
48K27.9Very low31.2Very low199 Ų199130.2 Ų130.287%0.86579%0.787SS**  trans-71147.2172.7-74172.5168.2178.50111.2
49V28.6Very low31.3Very low138 Ų138132.6 Ų132.684%0.83679%0.788SS**  trans-160.896.7133.8175.90000105.1
50S27Very low31.2Very low99 Ų99139.6 Ų139.669%0.69280%0.797SS**  43.8123.391.2-73.30000112.6
51S31.3Very low30.9Very low93 Ų93142.3 Ų142.365%0.6580%0.798SS**  cis17115035.2460000110
52L32.6Very low31.1Very low146 Ų146147 Ų14776%0.76480%0.804SS**  trans74.8140.1153.3-57154.4000117.8
53D29.6Very low31.3Very low127 Ų127144.5 Ų144.568%0.67980%0.804SS**  cis-170.4144.3-20.2-115.4-8.1000107.2
54C27Very low31.6Very low99 Ų99142.3 Ų142.367%0.66980%0.801SS**  trans35.2124.6137.7-45.80000120.5
55L32.8Very low31.7Very low175 Ų175136.8 Ų136.892%0.91680%0.796SS**  -179.6153.897.5-89.7168.3000113.1
56A32.8Very low32.1Very low91 Ų91134.8 Ų134.875%0.75279%0.791SS**  trans-51.9153-174.900000116.9
57A32.9Very low32.1Very low91 Ų91138.9 Ų138.975%0.75279%0.791SS**  151.3128.2104.300000113.4
58S39.1Very low32.4Very low108 Ų108138.2 Ų138.276%0.75579%0.785SS**  trans53.7104.4136.3-152.50000119.5R60S58-R60 PolarHBondContact O-N 2.84Å
59Q37.9Very low32.7Very low192 Ų192134.2 Ų134.290%0.89778%0.778SS**  trans-61.7120.3159.2-76173.3-25.600110.7
60R30.9Very low33.2Very low228 Ų228132.8 Ų132.886%0.8678%0.781SS**  trans-121.5120.2156.4-86.5-173.4170.3-179.2-2.1109.5S58S58-R60 PolarHBondContact O-N 2.84Å
61H34.9Very low33.7Very low185 Ų185137 Ų13786%0.85678%0.781SS**  trans-51.5130.2165.7-81.2-112.1000110.4
62Q34.3Very low34.1Very low193 Ų193138.1 Ų138.190%0.90279%0.789SS**  trans-119.7119159-76.8-168.48.600109.9
63V33.5Very low34.4Very low134 Ų134140.9 Ų140.981%0.81279%0.789SS**  trans-75.7118.2169.2174.40000106.9S65V63-S65 PolarHBondContact O-N 3.5Å
64A35.6Very low35Very low98 Ų98140.7 Ų140.781%0.8180%0.798SS**  trans-81.9105.3170.800000108.9
65S32.1Very low35.5Very low104 Ų104140.9 Ų140.973%0.72780%0.8SS**  trans-76.2127.816951.90000109.7V63 H67V63-S65 PolarHBondContact O-N 3.5Å; S65-H67 PolarHBondContact O-N 3.02Å
66V33.9Very low36Very low136 Ų136138.5 Ų138.582%0.82480%0.795SS**  trans-82.8111.7170-177.80000107.1
67H30.1Very low36.4Very low155 Ų155142.9 Ų142.972%0.71880%0.8SS**  trans-116.2111.9172.3-166.6-89.1000109.4S65S65-H67 PolarHBondContact O-N 3.02Å
68C34.9Very low36.6Very low111 Ų111144.9 Ų144.975%0.7580%0.798SS**  trans-80.6124.5173.8-58.90000109.5
69T34.9Very low36.5Very low116 Ų116150.6 Ų150.671%0.71280%0.803SS**  trans-122.498.1165.840.90000110.3
70A39.8Very low36.3Very low108 Ų108144.9 Ų144.989%0.89380%0.795SS**  trans-73.4124159.800000108.5
71R36.1Very low36.7Very low188 Ų188143.6 Ų143.671%0.70980%0.796SS**  trans-129.897.5172.8-166175-170.4175.24.8110
72S41.2Very low37.3Very low116 Ų116139.9 Ų139.981%0.81179%0.791SS**  trans-73.5128.1162.9530000109.9
73R38.5Very low37.7Very low204 Ų204137 Ų13777%0.7779%0.786SS**  trans-141129.3160.4-85.2-168.4169.9179.6-6110.9
74S41.3Very low38.8Very low122 Ų122136 Ų13685%0.85379%0.785SS**  trans-77.4160.1176.445.90000113.1
75S37.6Very low38.9Very low104 Ų104141.9 Ų141.973%0.72779%0.787SS**  trans-49.9166.6-177.7-146.30000117.3
76P43.3Very low39.2Very low124 Ų124146 Ų14681%0.80579%0.788SS**  -141.7167.187.632.2-12.2000117
77E41.5Very low40Very low184 Ų184149.1 Ų149.186%0.8679%0.793SS**  trans-57.3172175.1-56.2167.4105.400113.4
78D37Very low40.4Very low133 Ų133145.7 Ų145.771%0.71179%0.786SS**  cis-165.3166.921.5-177.120.6000108.7
79R38.3Very low40.8Very low228 Ų228143.9 Ų143.986%0.8679%0.787SS**  trans84.3106.9153.8-94.3169.9178.9-163-1.4121.9
80G33.4Very low41.3Very low71 Ų71144.2 Ų144.273%0.73279%0.789SS**  133.7120.8119.200000117.8
81K39.5Very low41.8Very low201 Ų201144 Ų14487%0.87478%0.779SS**  trans85.792153.6-59.4174.6179.9175.50118.2
82S45.8Very low42.6Very low108 Ų108141.2 Ų141.276%0.75578%0.783SS**  11.9117.5126.8600000118
83V43.8Very low43.3Very low131 Ų131138.3 Ų138.379%0.79476%0.761SS**  -152.6119.8126.7-173.70000108.9R85V83-R85 PolarHBondContact O-N 2.95Å
84S56.5Low44.4Very low114 Ų114131.9 Ų131.980%0.79775%0.747SS**  trans-54.9123.4165163.90000111.2
85R37.7Very low45.3Very low222 Ų222129.7 Ų129.784%0.83874%0.737SS**  trans-157.8105.7156.2-160.4149.7-76.4172.1-5.2113.3V83V83-R85 PolarHBondContact O-N 2.95Å
86Y38.8Very low46.5Very low191 Ų191128.1 Ų128.175%0.74973%0.73SS**  trans66.289.9145.5-143.3-104.5000116.8S88Y86-S88 PolarHBondContact O-N 2.84Å
87Q50Low47.4Very low200 Ų200127 Ų12794%0.93571%0.714SS**  trans-58.388.5145.7-81.3179.6-14.400107.8G89Q87-G89 PolarHBondContact O-N 2.85Å
88S39.2Very low48.4Very low83 Ų83124.1 Ų124.158%0.5870%0.698SS**  trans-73.6111.9156.3530000106Y86 T90Y86-S88 PolarHBondContact O-N 2.84Å; S88-T90 PolarHBondContact O-N 2.83Å
89G42.1Very low49.6Very low74 Ų74122.8 Ų122.876%0.76370%0.695SS**  trans-55.5101.3178.900000110.5Q87Q87-G89 PolarHBondContact O-N 2.85Å
90T47.1Very low50.8Low123 Ų123119.6 Ų119.676%0.75569%0.687SS**  trans-75.9118142.441.70000104.6S88 T92S88-T90 PolarHBondContact O-N 2.83Å; T90-T92 PolarHBondContact O-N 2.96Å
91P49.6Very low52.3Low104 Ų104121 Ų12168%0.67568%0.675SS**  trans-59.5117.1170.92.57000105.1P93P91-P93 WeakPolarHBondContact O-CD 3.38Å
92T52.7Low53.7Low129 Ų129114 Ų11479%0.79166%0.655SS**  trans-51.3114.5163.137.60000105.2T90 S94T90-T92 PolarHBondContact O-N 2.96Å; T92-S94 PolarHBondContact O-N 2.92Å
93P55.6Low55Low54 Ų54110.6 Ų110.635%0.35164%0.637SS.*  trans-63.2116.6-17216.8-22.4000106.1P91 Q97 K98P91-P93 WeakPolarHBondContact O-CD 3.38Å; P93-Q97 HydrophobicContact CB-CB 4.32Å; P93-K98 HydrophobicContact CB-CG 3.88Å; P93-K98 HydrophobicContact CG-CD 4.46Å; P93-K98 HydrophobicContact CG-CG 4.01Å; P93-K98 WeakPolarHBondContact O-CE 3.47Å
94S62.4Low56.5Low69 Ų69112 Ų11248%0.48363%0.628SS.*  trans-47.5144.2175.4164.40000107.8T92 A96 Q97 K98T92-S94 PolarHBondContact O-N 2.92Å; S94-A96 PolarHBondContact O-N 3.03Å; S94-A96 PolarHBondContact OG-N 3.14Å; S94-Q97 WeakPolarHBondContact O-CA 3.21Å; S94-Q97 WeakPolarHBondContact O-CB 3.12Å; S94-Q97 PolarHBondContact O-N 2.8Å; S94-K98 PolarHBondContact O-N 3.36Å
95A60.1Low57.7Low77 Ų77111.5 Ų111.564%0.63662%0.616SS**Hα-helixtrans-48.8-33.9177.900000111.6K98 V99A95-K98 PolarHBondContact O-N 2.79Å; A95-V99 WeakPolarHBondContact O-CG2 3.37Å; A95-V99 PolarHBondContact O-N 2.86Å
96A61.2Low60Low71 Ų71107.2 Ų107.259%0.58760%0.604SS**Hα-helixtrans-65.8-35.5173.800000114.3S94 K100S94-A96 PolarHBondContact O-N 3.03Å; S94-A96 PolarHBondContact OG-N 3.14Å; A96-K100 WeakPolarHBondContact O-CB 3.24Å; A96-K100 PolarHBondContact O-N 3.49Å
97Q62.6Low62.4Low100 Ų100102 Ų10247%0.46759%0.592SS.*Hα-helixtrans-74.9-38.3178.4-148165.1-12.200111.1P93 S94 K100 E101P93-Q97 HydrophobicContact CB-CB 4.32Å; S94-Q97 WeakPolarHBondContact O-CA 3.21Å; S94-Q97 WeakPolarHBondContact O-CB 3.12Å; S94-Q97 PolarHBondContact O-N 2.8Å; Q97-K100 PolarHBondContact O-N 3.48Å; Q97-E101 WeakPolarHBondContact O-CB 3.43Å; Q97-E101 WeakPolarHBondContact O-CG 3.4Å; Q97-E101 PolarHBondContact O-N 3.29Å
98K63Low64.3Low123 Ų12399.1 Ų99.154%0.53557%0.573SS.*Hα-helixtrans-62.3-40170.3-65-175.5176.7-178.50112.6P93 S94 A95 E101 A102P93-K98 HydrophobicContact CB-CG 3.88Å; P93-K98 HydrophobicContact CG-CD 4.46Å; P93-K98 HydrophobicContact CG-CG 4.01Å; P93-K98 WeakPolarHBondContact O-CE 3.47Å; S94-K98 PolarHBondContact O-N 3.36Å; A95-K98 PolarHBondContact O-N 2.79Å; K98-E101 PolarHBondContact O-N 3.44Å; K98-A102 WeakPolarHBondContact O-CB 3.37Å; K98-A102 PolarHBondContact O-N 2.92Å
99V62.7Low66.9Low105 Ų105100.2 Ų100.264%0.63657%0.572SS**Hα-helixtrans-68-38175.8174.10000111A95 A102 G103A95-V99 WeakPolarHBondContact O-CG2 3.37Å; A95-V99 PolarHBondContact O-N 2.86Å; V99-A102 PolarHBondContact O-N 3.48Å; V99-G103 PolarHBondContact O-N 2.99Å
100K63.5Low69.4Low161 Ų161100.1 Ų100.170%0.755%0.554SS**Hα-helixtrans-68.4-34.4176.4-164.7173.5-177.6179.90112.4A96 Q97A96-K100 WeakPolarHBondContact O-CB 3.24Å; A96-K100 PolarHBondContact O-N 3.49Å; Q97-K100 PolarHBondContact O-N 3.48Å
101E64.8Low71.7Confident100 Ų10098.7 Ų98.747%0.46755%0.545SS..Hα-helixtrans-70.1-45.7172.5-74.8168.4-170.700111.4Q97 K98 G103 R104 D105Q97-E101 WeakPolarHBondContact O-CB 3.43Å; Q97-E101 WeakPolarHBondContact O-CG 3.4Å; Q97-E101 PolarHBondContact O-N 3.29Å; K98-E101 PolarHBondContact O-N 3.44Å; E101-G103 VanDerWaalsContact C-N 3.25Å; E101-G103 PolarHBondContact O-N 3.4Å; E101-R104 WeakPolarHBondContact O-CB 3.48Å; E101-R104 PolarHBondContact O-N 3.12Å; E101-D105 PolarHBondContact O-N 3.13Å
102A68.1Low73.9Confident55 Ų5597.7 Ų97.746%0.45554%0.536SS..Hα-helixtrans-60-32.6175.500000113.3K98 V99 R104 D105 F106K98-A102 WeakPolarHBondContact O-CB 3.37Å; K98-A102 PolarHBondContact O-N 2.92Å; V99-A102 PolarHBondContact O-N 3.48Å; A102-R104 VanDerWaalsContact C-N 3.31Å; A102-R104 PolarHBondContact O-N 3.46Å; A102-D105 PolarHBondContact O-N 3.47Å; A102-F106 PolarHBondContact O-N 2.99Å
103G73.8Confident76Confident37 Ų3797.3 Ų97.338%0.38153%0.529SS..Hα-helixtrans-65.4-30.9173.500000113.7V99 E101 T107V99-G103 PolarHBondContact O-N 2.99Å; E101-G103 VanDerWaalsContact C-N 3.25Å; E101-G103 PolarHBondContact O-N 3.4Å; G103-T107 PolarHBondContact O-N 3.39Å; G103-T107 PolarHBondContact O-OG1 3.37Å
104R76.1Confident78Confident161 Ų16199.7 Ų99.761%0.60854%0.537SS*.Hα-helixtrans-73.2-40.5175.3-63.7-177.173.3176.82.2111E101 A102 F106 T107 Y108E101-R104 WeakPolarHBondContact O-CB 3.48Å; E101-R104 PolarHBondContact O-N 3.12Å; A102-R104 VanDerWaalsContact C-N 3.31Å; A102-R104 PolarHBondContact O-N 3.46Å; R104-F106 VanDerWaalsContact C-N 3.32Å; R104-F106 PolarHBondContact O-N 3.31Å; R104-T107 WeakPolarHBondContact O-CB 3.34Å; R104-T107 PolarHBondContact O-N 2.81Å; R104-T107 VanDerWaalsContact O-N 3.13Å; R104-Y108 HydrophobicContact CB-CE2 4.47Å; R104-Y108 WeakPolarHBondContact O-CD2 3.33Å; R104-Y108 PolarHBondContact O-N 3.31Å; R104-Y108 VanDerWaalsContact O-N 3.15Å
105D79.8Confident79.7Confident102 Ų10298 Ų9855%0.54553%0.531SS..Hα-helixtrans-62.9-40175.7-68.7-15.2000111.8E101 A102 T107 Y108 L109E101-D105 PolarHBondContact O-N 3.13Å; A102-D105 PolarHBondContact O-N 3.47Å; D105-T107 VanDerWaalsContact C-N 3.27Å; D105-T107 PolarHBondContact O-N 3.49Å; D105-Y108 PolarHBondContact O-N 3.27Å; D105-L109 WeakPolarHBondContact O-CG 3.39Å; D105-L109 PolarHBondContact O-N 3.07Å
106F87.4Confident81.4Confident132 Ų13299.9 Ų99.958%0.57953%0.53SS*.Hα-helixtrans-60.6-37.5173.9-171.5-107.8000112.6A102 R104 L109 I110A102-F106 PolarHBondContact O-N 2.99Å; R104-F106 VanDerWaalsContact C-N 3.32Å; R104-F106 PolarHBondContact O-N 3.31Å; F106-L109 PolarHBondContact O-N 3.45Å; F106-I110 HydrophobicContact CD1-CD1 3.57Å; F106-I110 HydrophobicContact CD1-CG1 4.34Å; F106-I110 HydrophobicContact CE1-CD1 3.3Å; F106-I110 HydrophobicContact CE1-CG1 4.08Å; F106-I110 HydrophobicContact CG-CD1 4.45Å; F106-I110 HydrophobicContact CZ-CD1 3.97Å; F106-I110 HydrophobicContact CZ-CG1 4.32Å; F106-I110 WeakPolarHBondContact O-CG1 3.41Å; F106-I110 PolarHBondContact O-N 2.85Å
107T88.2Confident83.2Confident81 Ų8198.9 Ų98.950%0.49753%0.526SS..Hα-helixtrans-64.3-43.9176.5-54.50000111.1G103 R104 D105 I110 V111G103-T107 PolarHBondContact O-N 3.39Å; G103-T107 PolarHBondContact O-OG1 3.37Å; R104-T107 WeakPolarHBondContact O-CB 3.34Å; R104-T107 PolarHBondContact O-N 2.81Å; R104-T107 VanDerWaalsContact O-N 3.13Å; D105-T107 VanDerWaalsContact C-N 3.27Å; D105-T107 PolarHBondContact O-N 3.49Å; T107-I110 PolarHBondContact O-N 3.42Å; T107-V111 WeakPolarHBondContact O-CG2 3.16Å; T107-V111 PolarHBondContact O-N 3.16Å; T107-V111 VanDerWaalsContact O-N 3.11Å
108Y90.9Very high84.8Confident140 Ų14099 Ų9955%0.54953%0.534SS..Hα-helixtrans-64-40.1175.5-63.8-58.9000112.1R104 D105 I110 V111 V112R104-Y108 HydrophobicContact CB-CE2 4.47Å; R104-Y108 WeakPolarHBondContact O-CD2 3.33Å; R104-Y108 PolarHBondContact O-N 3.31Å; R104-Y108 VanDerWaalsContact O-N 3.15Å; D105-Y108 PolarHBondContact O-N 3.27Å; Y108-I110 PolarHBondContact O-N 3.22Å; Y108-V111 PolarHBondContact O-N 2.93Å; Y108-V112 VanDerWaalsContact O-CG2 3.29Å; Y108-V112 WeakPolarHBondContact O-CG2 3.42Å; Y108-V112 PolarHBondContact O-N 2.92Å
109L93.2Very high86.4Confident107 Ų10797.2 Ų97.256%0.5653%0.533SS*.Hα-helixtrans-60.5-43.4174.8-70.5178.6000112.2D105 F106 V111 V112 L113D105-L109 WeakPolarHBondContact O-CG 3.39Å; D105-L109 PolarHBondContact O-N 3.07Å; F106-L109 PolarHBondContact O-N 3.45Å; L109-V111 PolarHBondContact O-N 2.8Å; L109-V112 PolarHBondContact O-N 2.89Å; L109-L113 WeakPolarHBondContact O-CB 3.39Å; L109-L113 VanDerWaalsContact O-CG 3.29Å; L109-L113 WeakPolarHBondContact O-CG 3.48Å; L109-L113 PolarHBondContact O-N 2.86Å
110I94.4Very high88Confident72 Ų7293.9 Ų93.937%0.36952%0.52SS..Hα-helixtrans-59.5-47.4176-70.5164.5000110.8F106 T107 Y108 V112 L113 I114F106-I110 HydrophobicContact CD1-CD1 3.57Å; F106-I110 HydrophobicContact CD1-CG1 4.34Å; F106-I110 HydrophobicContact CE1-CD1 3.3Å; F106-I110 HydrophobicContact CE1-CG1 4.08Å; F106-I110 HydrophobicContact CG-CD1 4.45Å; F106-I110 HydrophobicContact CZ-CD1 3.97Å; F106-I110 HydrophobicContact CZ-CG1 4.32Å; F106-I110 WeakPolarHBondContact O-CG1 3.41Å; F106-I110 PolarHBondContact O-N 2.85Å; T107-I110 PolarHBondContact O-N 3.42Å; Y108-I110 PolarHBondContact O-N 3.22Å; I110-V112 VanDerWaalsContact C-N 3.31Å; I110-V112 PolarHBondContact O-N 2.88Å; I110-L113 PolarHBondContact O-N 2.84Å; I110-I114 HydrophobicContact CG2-CD1 3.76Å; I110-I114 HydrophobicContact CG2-CG1 4.4Å; I110-I114 WeakPolarHBondContact O-CG1 3.44Å; I110-I114 PolarHBondContact O-N 3.09Å
111V95.3Very high89.6Confident93 Ų9388 Ų8856%0.56451%0.505SS*.Hα-helixtrans-61.3-41.9179.9174.60000111T107 Y108 L109 I114 G115T107-V111 WeakPolarHBondContact O-CG2 3.16Å; T107-V111 PolarHBondContact O-N 3.16Å; T107-V111 VanDerWaalsContact O-N 3.11Å; Y108-V111 PolarHBondContact O-N 2.93Å; L109-V111 PolarHBondContact O-N 2.8Å; V111-I114 PolarHBondContact O-N 3.36Å; V111-G115 PolarHBondContact O-N 3.45Å
112V96.3Very high91Very high82 Ų8288.9 Ų88.950%0.49751%0.512SS..Hα-helixtrans-64.1-43.2176.61710000111.6Y108 L109 I110 G115 L116Y108-V112 VanDerWaalsContact O-CG2 3.29Å; Y108-V112 WeakPolarHBondContact O-CG2 3.42Å; Y108-V112 PolarHBondContact O-N 2.92Å; L109-V112 PolarHBondContact O-N 2.89Å; I110-V112 VanDerWaalsContact C-N 3.31Å; I110-V112 PolarHBondContact O-N 2.88Å; V112-G115 PolarHBondContact O-N 2.89Å; V112-L116 HydrophobicContact CG1-CD1 4Å; V112-L116 PolarHBondContact O-N 3.24Å
113L97Very high92.2Very high121 Ų12190.7 Ų90.763%0.63451%0.514SS*.Hα-helixtrans-63.3-41.4177.4-72.8174000112.1L109 I110 L116 G117L109-L113 WeakPolarHBondContact O-CB 3.39Å; L109-L113 VanDerWaalsContact O-CG 3.29Å; L109-L113 WeakPolarHBondContact O-CG 3.48Å; L109-L113 PolarHBondContact O-N 2.86Å; I110-L113 PolarHBondContact O-N 2.84Å; L113-L116 PolarHBondContact O-N 2.69Å; L113-G117 PolarHBondContact O-N 3.44Å
114I97.3Very high93.1Very high104 Ų10496 Ų9653%0.53352%0.523SS..Hα-helixtrans-62.5-45.5174.5-67.1168.2000110I110 V111 L116 G117 V118I110-I114 HydrophobicContact CG2-CD1 3.76Å; I110-I114 HydrophobicContact CG2-CG1 4.4Å; I110-I114 WeakPolarHBondContact O-CG1 3.44Å; I110-I114 PolarHBondContact O-N 3.09Å; V111-I114 PolarHBondContact O-N 3.36Å; I114-L116 PolarHBondContact O-N 2.85Å; I114-G117 PolarHBondContact O-N 3.17Å; I114-V118 HydrophobicContact CG2-CG2 4.38Å; I114-V118 WeakPolarHBondContact O-CG2 3.02Å; I114-V118 PolarHBondContact O-N 2.88Å
115G97.3Very high93.8Very high35 Ų3591.7 Ų91.736%0.36152%0.515SS..Hα-helixtrans-58.9-45.2177.700000112.9V111 V112 T119V111-G115 PolarHBondContact O-N 3.45Å; V112-G115 PolarHBondContact O-N 2.89Å; G115-T119 VanDerWaalsContact O-CB 3.28Å; G115-T119 WeakPolarHBondContact O-CB 3.39Å; G115-T119 PolarHBondContact O-N 3.48Å; G115-T119 PolarHBondContact O-OG1 2.83Å
116L97.6Very high94.1Very high116 Ų11689.8 Ų89.861%0.60751%0.507SS*.Hα-helixtrans-65.4-38.7174.6-83.1161.9000112.3V112 L113 I114 G120V112-L116 HydrophobicContact CG1-CD1 4Å; V112-L116 PolarHBondContact O-N 3.24Å; L113-L116 PolarHBondContact O-N 2.69Å; I114-L116 PolarHBondContact O-N 2.85Å; L116-G120 WeakPolarHBondContact O-CA 3.37Å; L116-G120 PolarHBondContact O-N 2.85Å
117G97.5Very high93.9Very high49 Ų4989 Ų8951%0.50550%0.503SS..Hα-helixtrans-63.6-47.9177.100000112.5L113 I114 G121L113-G117 PolarHBondContact O-N 3.44Å; I114-G117 PolarHBondContact O-N 3.17Å; G117-G121 PolarHBondContact O-N 3.44Å
118V97.1Very high93.6Very high103 Ų10389.9 Ų89.962%0.62450%0.502SS*.Hα-helixtrans-65.6-47.1178.1175.70000110.9I114 G121 L122I114-V118 HydrophobicContact CG2-CG2 4.38Å; I114-V118 WeakPolarHBondContact O-CG2 3.02Å; I114-V118 PolarHBondContact O-N 2.88Å; V118-G121 PolarHBondContact O-N 2.9Å; V118-L122 PolarHBondContact O-N 2.97Å
119T96.4Very high92.9Very high85 Ų8589.2 Ų89.252%0.52150%0.504SS..Hα-helixtrans-66.2-44.1-179.2-53.20000111.3G115 L123G115-T119 VanDerWaalsContact O-CB 3.28Å; G115-T119 WeakPolarHBondContact O-CB 3.39Å; G115-T119 PolarHBondContact O-N 3.48Å; G115-T119 PolarHBondContact O-OG1 2.83Å; T119-L123 HydrophobicContact CG2-CD1 4.26Å; T119-L123 WeakPolarHBondContact O-CB 3.34Å; T119-L123 WeakPolarHBondContact O-CG 3.15Å; T119-L123 PolarHBondContact O-N 3.14Å
120G96.7Very high92.1Very high36 Ų3689.4 Ų89.437%0.37151%0.505SS..Hα-helixtrans-65.9-40.4177.400000112.5L116 L123 Y124L116-G120 WeakPolarHBondContact O-CA 3.37Å; L116-G120 PolarHBondContact O-N 2.85Å; G120-L123 PolarHBondContact O-N 2.94Å; G120-Y124 VanDerWaalsContact O-CB 3.29Å; G120-Y124 WeakPolarHBondContact O-CB 3.28Å; G120-Y124 PolarHBondContact O-N 3.21Å
121G95.9Very high90.5Very high36 Ų3691.5 Ų91.537%0.37151%0.511SS..Hα-helixtrans-63.1-45.817600000112.8G117 V118 Y124 V125G117-G121 PolarHBondContact O-N 3.44Å; V118-G121 PolarHBondContact O-N 2.9Å; G121-Y124 PolarHBondContact O-N 3.44Å; G121-V125 WeakPolarHBondContact O-CG2 3.46Å; G121-V125 PolarHBondContact O-N 2.86Å; G121-V125 VanDerWaalsContact O-N 3.12Å
122L94.9Very high89.1Confident120 Ų12089.2 Ų89.263%0.62850%0.499SS*.Hα-helixtrans-63.3-46.1176.8-179.662.2000111.6V118 Y124 V125 V126V118-L122 PolarHBondContact O-N 2.97Å; L122-Y124 VanDerWaalsContact C-N 3.31Å; L122-Y124 PolarHBondContact O-N 2.98Å; L122-V125 PolarHBondContact O-N 2.88Å; L122-V126 WeakPolarHBondContact O-CG2 3.3Å; L122-V126 PolarHBondContact O-N 3.18Å
123L93.6Very high87.4Confident92 Ų9286.8 Ų86.848%0.48249%0.486SS..Hα-helixtrans-59.3-44.3175.8-75.7174.9000110.9T119 G120 V125 V126 F127T119-L123 HydrophobicContact CG2-CD1 4.26Å; T119-L123 WeakPolarHBondContact O-CB 3.34Å; T119-L123 WeakPolarHBondContact O-CG 3.15Å; T119-L123 PolarHBondContact O-N 3.14Å; G120-L123 PolarHBondContact O-N 2.94Å; L123-V125 VanDerWaalsContact C-N 3.35Å; L123-V125 PolarHBondContact O-N 3.21Å; L123-V126 PolarHBondContact O-N 3.19Å; L123-F127 HydrophobicContact CB-CD2 4.11Å; L123-F127 HydrophobicContact CB-CE2 4.14Å; L123-F127 HydrophobicContact CD2-CE2 4.14Å; L123-F127 WeakPolarHBondContact O-CB 3.21Å; L123-F127 WeakPolarHBondContact O-CD2 3.24Å; L123-F127 PolarHBondContact O-N 2.77Å
124Y91.5Very high85.9Confident148 Ų14882.8 Ų82.858%0.5847%0.468SS*.Hα-helixtrans-57.4-45.2179.2177.4-96.2000112.7G120 G121 L122 F127 Q128G120-Y124 VanDerWaalsContact O-CB 3.29Å; G120-Y124 WeakPolarHBondContact O-CB 3.28Å; G120-Y124 PolarHBondContact O-N 3.21Å; G121-Y124 PolarHBondContact O-N 3.44Å; L122-Y124 VanDerWaalsContact C-N 3.31Å; L122-Y124 PolarHBondContact O-N 2.98Å; Y124-F127 PolarHBondContact O-N 2.93Å; Y124-Q128 HydrophobicContact CD1-CG 4.43Å; Y124-Q128 HydrophobicContact CE1-CG 3.89Å; Y124-Q128 HydrophobicContact CE2-CG 4.12Å; Y124-Q128 WeakPolarHBondContact O-CB 3.17Å; Y124-Q128 PolarHBondContact O-N 2.79Å; Y124-Q128 PolarHBondContact OH-NE2 3.12Å
125V90.8Very high85Confident71 Ų7178.5 Ų78.543%0.4345%0.448SS..Hα-helixtrans-62-49.3178.8171.70000110.9G121 L122 L123 F127 Q128 E129G121-V125 WeakPolarHBondContact O-CG2 3.46Å; G121-V125 PolarHBondContact O-N 2.86Å; G121-V125 VanDerWaalsContact O-N 3.12Å; L122-V125 PolarHBondContact O-N 2.88Å; L123-V125 VanDerWaalsContact C-N 3.35Å; L123-V125 PolarHBondContact O-N 3.21Å; V125-F127 PolarHBondContact O-N 2.71Å; V125-Q128 PolarHBondContact O-N 3.33Å; V125-E129 WeakPolarHBondContact CG1-OE1 3.46Å; V125-E129 VanDerWaalsContact O-CG 3.3Å; V125-E129 WeakPolarHBondContact O-CG 3.15Å; V125-E129 PolarHBondContact O-N 3.48Å
126V87.3Confident84.4Confident62 Ų6278 Ų7838%0.37644%0.438SS..Hα-helixtrans-62.9-42178.6175.90000111.6L122 L123 Q128 E129 L130L122-V126 WeakPolarHBondContact O-CG2 3.3Å; L122-V126 PolarHBondContact O-N 3.18Å; L123-V126 PolarHBondContact O-N 3.19Å; V126-Q128 VanDerWaalsContact C-N 3.35Å; V126-E129 PolarHBondContact O-N 3.19Å; V126-L130 HydrophobicContact CG1-CD1 3.86Å; V126-L130 HydrophobicContact CG1-CG 4.35Å; V126-L130 WeakPolarHBondContact O-CB 3.3Å; V126-L130 WeakPolarHBondContact O-CG 3.38Å; V126-L130 PolarHBondContact O-N 2.9Å
127F83.4Confident83.9Confident115 Ų11576.8 Ų76.850%0.50443%0.432SS..Hα-helixtrans-63.4-41.8175.6-83.4-65.4000111.4L123 Y124 V125 E129 L130 F131L123-F127 HydrophobicContact CB-CD2 4.11Å; L123-F127 HydrophobicContact CB-CE2 4.14Å; L123-F127 HydrophobicContact CD2-CE2 4.14Å; L123-F127 WeakPolarHBondContact O-CB 3.21Å; L123-F127 WeakPolarHBondContact O-CD2 3.24Å; L123-F127 PolarHBondContact O-N 2.77Å; Y124-F127 PolarHBondContact O-N 2.93Å; V125-F127 PolarHBondContact O-N 2.71Å; F127-E129 VanDerWaalsContact C-N 3.32Å; F127-E129 PolarHBondContact O-N 3.12Å; F127-L130 PolarHBondContact O-N 3.02Å; F127-F131 AromaticContact CD1-CD2 3.79Å; F127-F131 HydrophobicContact CD1-CD2 3.79Å; F127-F131 AromaticContact CD1-CE2 3.59Å; F127-F131 HydrophobicContact CD1-CE2 3.59Å; F127-F131 AromaticContact CE1-CE2 3.97Å; F127-F131 HydrophobicContact CE1-CE2 3.97Å; F127-F131 VanDerWaalsContact O-CB 3.31Å; F127-F131 WeakPolarHBondContact O-CB 3.45Å; F127-F131 WeakPolarHBondContact O-CD2 3.45Å; F127-F131 PolarHBondContact O-N 2.88Å
128Q81.6Confident83.5Confident100 Ų10079.2 Ų79.247%0.46743%0.429SS..Hα-helixtrans-64.1-37.9176-91.1-73.65200112.3Y124 V125 V126 S132Y124-Q128 HydrophobicContact CD1-CG 4.43Å; Y124-Q128 HydrophobicContact CE1-CG 3.89Å; Y124-Q128 HydrophobicContact CE2-CG 4.12Å; Y124-Q128 WeakPolarHBondContact O-CB 3.17Å; Y124-Q128 PolarHBondContact O-N 2.79Å; Y124-Q128 PolarHBondContact OH-NE2 3.12Å; V125-Q128 PolarHBondContact O-N 3.33Å; V126-Q128 VanDerWaalsContact C-N 3.35Å; Q128-S132 WeakPolarHBondContact O-CA 3.44Å; Q128-S132 WeakPolarHBondContact O-CB 3.27Å; Q128-S132 PolarHBondContact O-N 3.41Å
129E76.7Confident83.2Confident126 Ų12674.3 Ų74.359%0.58940%0.399SS*.Hα-helixtrans-68.4-44.2177.6-71.4154.317200111.6V125 V126 F127 S132V125-E129 WeakPolarHBondContact CG1-OE1 3.46Å; V125-E129 VanDerWaalsContact O-CG 3.3Å; V125-E129 WeakPolarHBondContact O-CG 3.15Å; V125-E129 PolarHBondContact O-N 3.48Å; V126-E129 PolarHBondContact O-N 3.19Å; F127-E129 VanDerWaalsContact C-N 3.32Å; F127-E129 PolarHBondContact O-N 3.12Å; E129-S132 WeakPolarHBondContact O-CB 3.36Å
130L74.9Confident82.9Confident111 Ų11171.8 Ų71.858%0.58138%0.38SS*.Hα-helixtrans-77.5-31.9-177.1-69.2178.2000114.2V126 F127 S135V126-L130 HydrophobicContact CG1-CD1 3.86Å; V126-L130 HydrophobicContact CG1-CG 4.35Å; V126-L130 WeakPolarHBondContact O-CB 3.3Å; V126-L130 WeakPolarHBondContact O-CG 3.38Å; V126-L130 PolarHBondContact O-N 2.9Å; F127-L130 PolarHBondContact O-N 3.02Å; L130-S135 WeakPolarHBondContact O-CB 3.34Å; L130-S135 PolarHBondContact O-OG 3.35Å
131F61Low82.7Confident117 Ų11772.7 Ų72.751%0.51338%0.381SS..SBendtrans-102.19.3177.1-68.5-84.4000113F127F127-F131 AromaticContact CD1-CD2 3.79Å; F127-F131 HydrophobicContact CD1-CD2 3.79Å; F127-F131 AromaticContact CD1-CE2 3.59Å; F127-F131 HydrophobicContact CD1-CE2 3.59Å; F127-F131 AromaticContact CE1-CE2 3.97Å; F127-F131 HydrophobicContact CE1-CE2 3.97Å; F127-F131 VanDerWaalsContact O-CB 3.31Å; F127-F131 WeakPolarHBondContact O-CB 3.45Å; F127-F131 WeakPolarHBondContact O-CD2 3.45Å; F127-F131 PolarHBondContact O-N 2.88Å
132S66.8Low82.6Confident44 Ų4475 Ų7531%0.30838%0.378SS..SBendtrans-54.1162.7166.5-170.40000110.4Q128 E129 S134 S135Q128-S132 WeakPolarHBondContact O-CA 3.44Å; Q128-S132 WeakPolarHBondContact O-CB 3.27Å; Q128-S132 PolarHBondContact O-N 3.41Å; E129-S132 WeakPolarHBondContact O-CB 3.36Å; S132-S134 PolarHBondContact O-N 3.37Å; S132-S135 PolarHBondContact O-N 2.94Å
133S60.1Low82.5Confident31 Ų3169.2 Ų69.222%0.21735%0.348CS..THydrogen-bonded Turntrans-48.9-16.9178.9410000114.7G217 Y219S133-G217 PolarHBondContact OG-O 2.95Å; S133-Y219 VanDerWaalsContact O-CD2 3.22Å; S133-Y219 WeakPolarHBondContact O-CD2 3.29Å
134S65Low82.6Confident38 Ų3866.1 Ų66.127%0.26633%0.331SS..THydrogen-bonded Turntrans-85.52.1177.7-360000115.9S132S132-S134 PolarHBondContact O-N 3.37Å
135S79.9Confident82.8Confident14 Ų1463.6 Ų63.610%0.09833%0.327CS..  trans-74.7131.5179.9-162.30000112.7L130 S132 N137 K138 V139L130-S135 WeakPolarHBondContact O-CB 3.34Å; L130-S135 PolarHBondContact O-OG 3.35Å; S132-S135 PolarHBondContact O-N 2.94Å; S135-N137 PolarHBondContact O-N 2.84Å; S135-K138 PolarHBondContact O-N 2.9Å; S135-K138 VanDerWaalsContact O-N 3.12Å; S135-V139 PolarHBondContact O-N 3.46Å
136P84.4Confident83Confident23 Ų2362.6 Ų62.615%0.14932%0.319CS..Hα-helixtrans-55.4-36.2176.3-26.633.8000113.5K138 V139 Y140 H178 M189P136-K138 PolarHBondContact O-N 3.44Å; P136-V139 PolarHBondContact O-N 2.92Å; P136-Y140 VanDerWaalsContact O-CB 3.28Å; P136-Y140 WeakPolarHBondContact O-CB 3.22Å; P136-Y140 PolarHBondContact O-N 2.91Å; P136-H178 HydrophobicContact CB-CB 3.97Å; P136-H178 HydrophobicContact CG-CB 4.28Å; P136-M189 HydrophobicContact CB-SD 4.12Å; P136-M189 HydrophobicContact CG-SD 3.96Å
137N86.8Confident83.3Confident91 Ų9159.7 Ų59.749%0.48730%0.301SS..Hα-helixtrans-66.1-38-179.4-71.6-25.1000112.1S135 Y140 S141S135-N137 PolarHBondContact O-N 2.84Å; N137-Y140 WeakPolarHBondContact O-CB 3.5Å; N137-Y140 PolarHBondContact O-N 3.47Å; N137-S141 PolarHBondContact O-N 2.9Å; N137-S141 PolarHBondContact O-OG 2.87Å; N137-S141 VanDerWaalsContact O-OG 3.12Å
138K88.2Confident83.9Confident101 Ų10159.1 Ų59.144%0.43930%0.299SS..Hα-helixtrans-70.2-37.7179.4-170.7175.2-174.4172.30111.7S135 P136 R142S135-K138 PolarHBondContact O-N 2.9Å; S135-K138 VanDerWaalsContact O-N 3.12Å; P136-K138 PolarHBondContact O-N 3.44Å; K138-R142 WeakPolarHBondContact O-CB 3.38Å; K138-R142 WeakPolarHBondContact O-CG 3.2Å; K138-R142 PolarHBondContact O-N 2.95Å; K138-R142 VanDerWaalsContact O-N 3.14Å
139V90.6Very high84.5Confident0 Ų058.5 Ų58.50%031%0.305CS..Hα-helixtrans-69.7-41.3174.9175.90000110.6S135 P136 R142 A143 M189 V191 Y219 F221S135-V139 PolarHBondContact O-N 3.46Å; P136-V139 PolarHBondContact O-N 2.92Å; V139-R142 PolarHBondContact O-N 2.99Å; V139-A143 VanDerWaalsContact O-CB 3.31Å; V139-A143 WeakPolarHBondContact O-CB 3.33Å; V139-A143 PolarHBondContact O-N 3.4Å; V139-M189 HydrophobicContact CB-CE 3.49Å; V139-M189 VanDerWaalsContact CB-CE 3.49Å; V139-M189 HydrophobicContact CG1-CE 3.88Å; V139-M189 HydrophobicContact CG2-CE 3.21Å; V139-V191 HydrophobicContact CG1-CG2 4.04Å; V139-Y219 HydrophobicContact CG2-CG 4.31Å; V139-F221 HydrophobicContact CG1-CE1 3.54Å; V139-F221 HydrophobicContact CG1-CZ 4.02Å
140Y91.6Very high85.4Confident31 Ų3154.2 Ų54.212%0.12229%0.285CS..Hα-helixtrans-56.3-53.2172.1164.6-99.9000112.7P136 N137 R142 A143 F144 C163 V176 V191 F193P136-Y140 VanDerWaalsContact O-CB 3.28Å; P136-Y140 WeakPolarHBondContact O-CB 3.22Å; P136-Y140 PolarHBondContact O-N 2.91Å; N137-Y140 WeakPolarHBondContact O-CB 3.5Å; N137-Y140 PolarHBondContact O-N 3.47Å; Y140-R142 PolarHBondContact O-N 3.32Å; Y140-A143 PolarHBondContact O-N 3.18Å; Y140-F144 WeakPolarHBondContact O-CB 3.31Å; Y140-F144 PolarHBondContact O-N 2.85Å; Y140-C163 VanDerWaalsContact OH-CB 3.3Å; Y140-C163 WeakPolarHBondContact OH-CB 3.5Å; Y140-C163 PolarHBondContact OH-SG 3.19Å; Y140-V176 HydrophobicContact CD1-CG2 4.19Å; Y140-V176 HydrophobicContact CD2-CB 4.41Å; Y140-V176 HydrophobicContact CD2-CG1 3.88Å; Y140-V176 HydrophobicContact CD2-CG2 3.65Å; Y140-V176 HydrophobicContact CE1-CG2 4.35Å; Y140-V176 HydrophobicContact CE2-CG2 3.81Å; Y140-V176 HydrophobicContact CG-CG1 4.38Å; Y140-V176 HydrophobicContact CG-CG2 3.82Å; Y140-V191 HydrophobicContact CD2-CG1 4.49Å; Y140-F193 HydrophobicContact CD2-CB 3.9Å; Y140-F193 AromaticContact CD2-CD1 3.57Å; Y140-F193 HydrophobicContact CD2-CD1 3.57Å; Y140-F193 HydrophobicContact CD2-CD2 4.21Å; Y140-F193 HydrophobicContact CD2-CE1 4.01Å; Y140-F193 AromaticContact CD2-CG 3.66Å; Y140-F193 HydrophobicContact CD2-CG 3.66Å; Y140-F193 HydrophobicContact CD2-CZ 4.49Å; Y140-F193 HydrophobicContact CE2-CB 3.52Å; Y140-F193 AromaticContact CE2-CD1 3.84Å; Y140-F193 HydrophobicContact CE2-CD1 3.84Å; Y140-F193 AromaticContact CE2-CD2 3.62Å; Y140-F193 HydrophobicContact CE2-CD2 3.62Å; Y140-F193 HydrophobicContact CE2-CE1 4.37Å; Y140-F193 HydrophobicContact CE2-CE2 4.18Å; Y140-F193 AromaticContact CE2-CG 3.41Å; Y140-F193 HydrophobicContact CE2-CG 3.41Å; Y140-F193 VanDerWaalsContact CE2-CG 3.41Å
141S92.1Very high86.3Confident56 Ų5653.5 Ų53.539%0.39229%0.287SS..Hα-helixtrans-59.9-46.7-179-65.50000111.3N137 A143 F144 D145N137-S141 PolarHBondContact O-N 2.9Å; N137-S141 PolarHBondContact O-OG 2.87Å; N137-S141 VanDerWaalsContact O-OG 3.12Å; S141-A143 PolarHBondContact O-N 2.84Å; S141-F144 PolarHBondContact O-N 2.84Å; S141-D145 PolarHBondContact O-N 3.21Å
142R92.8Very high87.8Confident83 Ų8353.5 Ų53.531%0.31329%0.289SS..Hα-helixtrans-60.4-44.2176.4-74.7-167.1-72158.80.3112.4K138 V139 Y140 F144 D145 I146 Y219 F221K138-R142 WeakPolarHBondContact O-CB 3.38Å; K138-R142 WeakPolarHBondContact O-CG 3.2Å; K138-R142 PolarHBondContact O-N 2.95Å; K138-R142 VanDerWaalsContact O-N 3.14Å; V139-R142 PolarHBondContact O-N 2.99Å; Y140-R142 PolarHBondContact O-N 3.32Å; R142-F144 VanDerWaalsContact C-N 3.31Å; R142-F144 PolarHBondContact O-N 3.32Å; R142-D145 PolarHBondContact O-N 3.43Å; R142-I146 VanDerWaalsContact O-CG1 3.3Å; R142-I146 WeakPolarHBondContact O-CG1 2.91Å; R142-I146 PolarHBondContact O-N 3.31Å; R142-I146 VanDerWaalsContact O-N 3.13Å; R142-Y219 PolarHBondContact NH1-O 3.15Å; R142-Y219 PolarHBondContact NH2-O 3.46Å; R142-F221 HydrophobicContact CB-CE2 3.94Å; R142-F221 HydrophobicContact CB-CZ 3.84Å
143A94.1Very high89.1Confident0 Ų051.4 Ų51.40%027%0.274CS..Hα-helixtrans-62.3-40.6177.500000111.5V139 Y140 S141 I146 V147 F193 F221 I224V139-A143 VanDerWaalsContact O-CB 3.31Å; V139-A143 WeakPolarHBondContact O-CB 3.33Å; V139-A143 PolarHBondContact O-N 3.4Å; Y140-A143 PolarHBondContact O-N 3.18Å; S141-A143 PolarHBondContact O-N 2.84Å; A143-I146 PolarHBondContact O-N 3.1Å; A143-V147 WeakPolarHBondContact O-CB 3.47Å; A143-V147 WeakPolarHBondContact O-CG2 3.37Å; A143-V147 PolarHBondContact O-N 3.42Å; A143-F193 HydrophobicContact CB-CE1 4.07Å; A143-F193 HydrophobicContact CB-CZ 4.28Å; A143-F221 HydrophobicContact CB-CE1 3.85Å; A143-F221 HydrophobicContact CB-CZ 3.92Å; A143-I224 HydrophobicContact CB-CD1 4.28Å
144F94.9Very high90.7Very high27 Ų2752.3 Ų52.312%0.11828%0.276CS..Hα-helixtrans-65.8-40.2176.8176.1-114.7000112.5Y140 S141 R142 I146 V147 K148 I161 C163 F193 I195Y140-F144 WeakPolarHBondContact O-CB 3.31Å; Y140-F144 PolarHBondContact O-N 2.85Å; S141-F144 PolarHBondContact O-N 2.84Å; R142-F144 VanDerWaalsContact C-N 3.31Å; R142-F144 PolarHBondContact O-N 3.32Å; F144-I146 VanDerWaalsContact C-N 3.33Å; F144-I146 PolarHBondContact O-N 3.38Å; F144-V147 PolarHBondContact O-N 3.09Å; F144-K148 HydrophobicContact CE1-CD 4.31Å; F144-K148 HydrophobicContact CZ-CD 4.27Å; F144-K148 VanDerWaalsContact O-CB 3.24Å; F144-K148 WeakPolarHBondContact O-CB 3.47Å; F144-K148 PolarHBondContact O-N 3.36Å; F144-I161 HydrophobicContact CE2-CG2 4.09Å; F144-C163 HydrophobicContact CD2-CB 3.53Å; F144-C163 HydrophobicContact CE1-CB 4.48Å; F144-C163 VanDerWaalsContact CE1-SG 3.53Å; F144-C163 HydrophobicContact CE2-CB 3.49Å; F144-C163 VanDerWaalsContact CE2-CB 3.49Å; F144-C163 HydrophobicContact CG-CB 4.07Å; F144-C163 HydrophobicContact CZ-CB 3.98Å; F144-C163 VanDerWaalsContact CZ-SG 3.55Å; F144-F193 HydrophobicContact CB-CE2 4.31Å; F144-F193 HydrophobicContact CB-CZ 4.27Å; F144-F193 HydrophobicContact CD2-CE2 4.28Å; F144-I195 HydrophobicContact CD2-CG2 4.48Å; F144-I195 HydrophobicContact CE2-CG2 4.48Å
145D95.1Very high92Very high94 Ų9453.9 Ų53.950%0.50330%0.298SS..Hα-helixtrans-63-40.4177.6-65.1-31.2000111.7S141 R142 K148 S149S141-D145 PolarHBondContact O-N 3.21Å; R142-D145 PolarHBondContact O-N 3.43Å; D145-K148 PolarHBondContact O-N 3.1Å; D145-S149 PolarHBondContact O-N 2.93Å; D145-S149 VanDerWaalsContact O-N 3.16Å; D145-S149 PolarHBondContact O-OG 3.5Å
146I94.9Very high92.6Very high51 Ų5153.8 Ų53.826%0.26230%0.299SS..Hα-helixtrans-64.7-47.9174.9-63.6164.8000110.2R142 A143 F144 K148 S149 H150 F221 I224 V238R142-I146 VanDerWaalsContact O-CG1 3.3Å; R142-I146 WeakPolarHBondContact O-CG1 2.91Å; R142-I146 PolarHBondContact O-N 3.31Å; R142-I146 VanDerWaalsContact O-N 3.13Å; A143-I146 PolarHBondContact O-N 3.1Å; F144-I146 VanDerWaalsContact C-N 3.33Å; F144-I146 PolarHBondContact O-N 3.38Å; I146-K148 VanDerWaalsContact C-N 3.32Å; I146-K148 PolarHBondContact O-N 3.47Å; I146-S149 PolarHBondContact O-N 3.46Å; I146-S149 PolarHBondContact O-OG 3.34Å; I146-S149 VanDerWaalsContact O-OG 3.07Å; I146-H150 PolarHBondContact O-N 3.35Å; I146-F221 HydrophobicContact CD1-CD2 3.72Å; I146-F221 HydrophobicContact CD1-CE2 3.6Å; I146-I224 HydrophobicContact CB-CD1 4.4Å; I146-I224 HydrophobicContact CD1-CD1 4.01Å; I146-I224 HydrophobicContact CG2-CD1 4.26Å; I146-V238 HydrophobicContact CG2-CG1 3.65Å
147V94.9Very high93Very high0 Ų052.9 Ų52.90%029%0.292CS..Hα-helixtrans-61.1-41.5178.2168.40000111.7A143 F144 S149 H150 V153 I195 V206 I224 V226 V238A143-V147 WeakPolarHBondContact O-CB 3.47Å; A143-V147 WeakPolarHBondContact O-CG2 3.37Å; A143-V147 PolarHBondContact O-N 3.42Å; F144-V147 PolarHBondContact O-N 3.09Å; V147-S149 VanDerWaalsContact C-N 3.3Å; V147-S149 PolarHBondContact O-N 3.22Å; V147-H150 PolarHBondContact O-N 3.46Å; V147-V153 HydrophobicContact CG1-CG1 3.78Å; V147-V153 HydrophobicContact CG1-CG2 4.33Å; V147-V153 WeakPolarHBondContact O-CB 3.46Å; V147-V153 WeakPolarHBondContact O-CG1 3.47Å; V147-I195 HydrophobicContact CG1-CD1 4.39Å; V147-V206 HydrophobicContact CG1-CG2 4.46Å; V147-V206 HydrophobicContact CG2-CG1 4.05Å; V147-I224 HydrophobicContact CG2-CG2 3.68Å; V147-V226 HydrophobicContact CG1-CG2 3.88Å; V147-V226 HydrophobicContact CG2-CG2 4.03Å; V147-V238 HydrophobicContact CG2-CG1 4.47Å; V147-V238 HydrophobicContact CG2-CG2 4.37Å
148K94.6Very high93.2Very high103 Ų10349.8 Ų49.845%0.44828%0.282SS..Hα-helixtrans-66.5-31.3-179.4-177.7-178.8174.7-172.40112.6F144 D145 I146 I154F144-K148 HydrophobicContact CE1-CD 4.31Å; F144-K148 HydrophobicContact CZ-CD 4.27Å; F144-K148 VanDerWaalsContact O-CB 3.24Å; F144-K148 WeakPolarHBondContact O-CB 3.47Å; F144-K148 PolarHBondContact O-N 3.36Å; D145-K148 PolarHBondContact O-N 3.1Å; I146-K148 VanDerWaalsContact C-N 3.32Å; I146-K148 PolarHBondContact O-N 3.47Å; K148-I154 WeakPolarHBondContact O-CD1 3.16Å; K148-I154 WeakPolarHBondContact O-CG1 3.28Å
149S94.6Very high93.3Very high87 Ų8751.6 Ų51.661%0.60829%0.292SS*.Hα-helixtrans-89.1-7.5-179.551.90000113.8D145 I146 V147D145-S149 PolarHBondContact O-N 2.93Å; D145-S149 VanDerWaalsContact O-N 3.16Å; D145-S149 PolarHBondContact O-OG 3.5Å; I146-S149 PolarHBondContact O-N 3.46Å; I146-S149 PolarHBondContact O-OG 3.34Å; I146-S149 VanDerWaalsContact O-OG 3.07Å; V147-S149 VanDerWaalsContact C-N 3.3Å; V147-S149 PolarHBondContact O-N 3.22Å
150H95.5Very high93.4Very high37 Ų3755.6 Ų55.617%0.17132%0.318CS..  trans-77.5124.8-176.9-164.9-87.6000112.1I146 V147 E152 V153 I154 V238I146-H150 PolarHBondContact O-N 3.35Å; V147-H150 PolarHBondContact O-N 3.46Å; H150-E152 VanDerWaalsContact C-N 3.33Å; H150-E152 IonicContact CE1-OE2 3.95Å; H150-E152 PolarHBondContact ND1-N 3.32Å; H150-E152 PolarHBondContact O-N 3.47Å; H150-V153 HydrophobicContact CB-CB 4.23Å; H150-V153 HydrophobicContact CB-CG2 3.93Å; H150-V153 PolarHBondContact O-N 2.93Å; H150-I154 WeakPolarHBondContact O-CG1 3.3Å; H150-I154 PolarHBondContact O-N 3.04Å; H150-V238 HydrophobicContact CB-CG1 3.99Å; H150-V238 HydrophobicContact CB-CG2 4.36Å
151P94.3Very high93.6Very high96 Ų9654.8 Ų54.862%0.62332%0.315SS*.Hα-helixtrans-62.7-35.5-172.324.2-34.2000113.2V153 I154 G155P151-V153 VanDerWaalsContact C-N 3.32Å; P151-V153 PolarHBondContact O-N 3.36Å; P151-I154 PolarHBondContact O-N 3.41Å; P151-G155 PolarHBondContact O-N 3.22Å
152E93.1Very high93.6Very high116 Ų11658.4 Ų58.454%0.54232%0.324SS..Hα-helixtrans-68.5-33177-59.4-172.3173.200112.5H150 A156 I236H150-E152 VanDerWaalsContact C-N 3.33Å; H150-E152 IonicContact CE1-OE2 3.95Å; H150-E152 PolarHBondContact ND1-N 3.32Å; H150-E152 PolarHBondContact O-N 3.47Å; E152-A156 WeakPolarHBondContact O-CB 3.38Å; E152-A156 PolarHBondContact O-N 3.36Å; E152-I236 HydrophobicContact CB-CG2 3.83Å; E152-I236 WeakPolarHBondContact OE2-CG2 3.39Å
153V93.8Very high93.6Very high0 Ų056.3 Ų56.30%032%0.322CS..Hα-helixtrans-74.3-40.3177.1-179.90000109.4V147 H150 P151 A156 F157 I161 V226 I236 V238V147-V153 HydrophobicContact CG1-CG1 3.78Å; V147-V153 HydrophobicContact CG1-CG2 4.33Å; V147-V153 WeakPolarHBondContact O-CB 3.46Å; V147-V153 WeakPolarHBondContact O-CG1 3.47Å; H150-V153 HydrophobicContact CB-CB 4.23Å; H150-V153 HydrophobicContact CB-CG2 3.93Å; H150-V153 PolarHBondContact O-N 2.93Å; P151-V153 VanDerWaalsContact C-N 3.32Å; P151-V153 PolarHBondContact O-N 3.36Å; V153-A156 WeakPolarHBondContact O-CB 3.34Å; V153-A156 PolarHBondContact O-N 3.12Å; V153-A156 VanDerWaalsContact O-N 3.15Å; V153-F157 HydrophobicContact CG1-CD2 3.68Å; V153-F157 HydrophobicContact CG1-CE2 4.24Å; V153-F157 WeakPolarHBondContact O-CD2 3.27Å; V153-F157 PolarHBondContact O-N 3.39Å; V153-I161 HydrophobicContact CG1-CD1 4.03Å; V153-V226 HydrophobicContact CG2-CG2 4.17Å; V153-I236 HydrophobicContact CG2-CG2 4.03Å; V153-V238 HydrophobicContact CG2-CG2 3.64Å
154I94.1Very high93.5Very high50 Ų5057.7 Ų57.726%0.25633%0.327SS..Hα-helixtrans-61.8-46.9174.7-64.6165.4000110.4K148 H150 P151 A156 G158 E159K148-I154 WeakPolarHBondContact O-CD1 3.16Å; K148-I154 WeakPolarHBondContact O-CG1 3.28Å; H150-I154 WeakPolarHBondContact O-CG1 3.3Å; H150-I154 PolarHBondContact O-N 3.04Å; P151-I154 PolarHBondContact O-N 3.41Å; I154-A156 PolarHBondContact O-N 3.44Å; I154-G158 VanDerWaalsContact O-CA 3.24Å; I154-G158 WeakPolarHBondContact O-CA 3.48Å; I154-G158 PolarHBondContact O-N 3.48Å; I154-E159 HydrophobicContact CG2-CG 4.07Å
155G92.1Very high93.3Very high71 Ų7156.6 Ų56.673%0.73232%0.323SS*.Hα-helixtrans-65.2-23.9175.900000113.3P151P151-G155 PolarHBondContact O-N 3.22Å
156A91.8Very high93Very high13 Ų1355.5 Ų55.511%0.10732%0.315CS..Hα-helixtrans-80.9-50.8175.700000113.5E152 V153 I154 L202 I236E152-A156 WeakPolarHBondContact O-CB 3.38Å; E152-A156 PolarHBondContact O-N 3.36Å; V153-A156 WeakPolarHBondContact O-CB 3.34Å; V153-A156 PolarHBondContact O-N 3.12Å; V153-A156 VanDerWaalsContact O-N 3.15Å; I154-A156 PolarHBondContact O-N 3.44Å; A156-L202 WeakPolarHBondContact O-CD2 3.48Å; A156-I236 HydrophobicContact CB-CD1 3.61Å
157F92.9Very high92.5Very high3 Ų356.5 Ų56.51%0.01332%0.324CS..Hα-helixtrans-99.5-19.1-168.7-71.5-86.2000114.4V153 I161 I195 G197 S198 L202 V226 V228V153-F157 HydrophobicContact CG1-CD2 3.68Å; V153-F157 HydrophobicContact CG1-CE2 4.24Å; V153-F157 WeakPolarHBondContact O-CD2 3.27Å; V153-F157 PolarHBondContact O-N 3.39Å; F157-I161 HydrophobicContact CB-CD1 4.33Å; F157-I161 HydrophobicContact CB-CG1 4.19Å; F157-I195 HydrophobicContact CD1-CD1 4.25Å; F157-I195 HydrophobicContact CD2-CD1 3.98Å; F157-I195 HydrophobicContact CE1-CD1 3.93Å; F157-I195 HydrophobicContact CE1-CG1 4.06Å; F157-I195 HydrophobicContact CE2-CD1 3.65Å; F157-I195 HydrophobicContact CG-CD1 4.27Å; F157-I195 HydrophobicContact CZ-CD1 3.62Å; F157-I195 HydrophobicContact CZ-CG1 4.07Å; F157-G197 CarbonylContact O-C 3.55Å; F157-G197 WeakPolarHBondContact O-CA 3.39Å; F157-S198 PolarHBondContact O-N 3.04Å; F157-L202 HydrophobicContact CB-CD2 4.35Å; F157-L202 HydrophobicContact CD1-CD2 3.93Å; F157-L202 HydrophobicContact CD1-CG 4.11Å; F157-L202 HydrophobicContact CE1-CG 4.39Å; F157-L202 HydrophobicContact CG-CD2 4.34Å; F157-V226 HydrophobicContact CE2-CG1 3.69Å; F157-V226 HydrophobicContact CZ-CG1 3.95Å; F157-V228 HydrophobicContact CE2-CG2 3.9Å; F157-V228 HydrophobicContact CZ-CB 4.43Å; F157-V228 HydrophobicContact CZ-CG1 4.44Å; F157-V228 HydrophobicContact CZ-CG2 3.77Å
158G92.2Very high92Very high26 Ų2659.1 Ų59.127%0.26834%0.34SS..  trans69.1168.3-169.600000112.8I154 I161I154-G158 VanDerWaalsContact O-CA 3.24Å; I154-G158 WeakPolarHBondContact O-CA 3.48Å; I154-G158 PolarHBondContact O-N 3.48Å; G158-I161 WeakPolarHBondContact O-CG1 3.33Å
159E90.3Very high91.3Very high139 Ų13966.9 Ų66.965%0.6537%0.366SS*.SBendtrans-98.6136.3169.3-63.3-173.616600109.3I154I154-E159 HydrophobicContact CG2-CG 4.07Å
160P92.6Very high90.8Very high84 Ų8473.2 Ų73.255%0.54538%0.377SS..SBendcis-90.9140.6634.1-34000114.4
161I94.6Very high90.1Very high14 Ų1474 Ų747%0.07240%0.395CS..PPolyproline II helixtrans-91.7127.8174.6-53.3172.7000110F144 V153 F157 G158 I195F144-I161 HydrophobicContact CE2-CG2 4.09Å; V153-I161 HydrophobicContact CG1-CD1 4.03Å; F157-I161 HydrophobicContact CB-CD1 4.33Å; F157-I161 HydrophobicContact CB-CG1 4.19Å; G158-I161 WeakPolarHBondContact O-CG1 3.33Å; I161-I195 HydrophobicContact CG2-CB 4.24Å
162K93.3Very high89.6Confident132 Ų13276.9 Ų76.957%0.57439%0.393SS*.EExtended strand (participates in β ladder)trans-104.5146.4173.6-64.7175.2-174.6166.60110.1I195 E196K162-I195 CarbonylContact O-C 3.51Å; K162-I195 WeakPolarHBondContact O-CA 3.31Å; K162-E196 PolarHBondContact N-O 3.31Å; K162-E196 PolarHBondContact O-N 2.86Å
163C92.4Very high89.2Confident39 Ų3976.8 Ų76.826%0.26439%0.388SS..EExtended strand (participates in β ladder)trans-123146.7173.857.30000111.2Y140 F144 F193 Y194 I195Y140-C163 VanDerWaalsContact OH-CB 3.3Å; Y140-C163 WeakPolarHBondContact OH-CB 3.5Å; Y140-C163 PolarHBondContact OH-SG 3.19Å; F144-C163 HydrophobicContact CD2-CB 3.53Å; F144-C163 HydrophobicContact CE1-CB 4.48Å; F144-C163 VanDerWaalsContact CE1-SG 3.53Å; F144-C163 HydrophobicContact CE2-CB 3.49Å; F144-C163 VanDerWaalsContact CE2-CB 3.49Å; F144-C163 HydrophobicContact CG-CB 4.07Å; F144-C163 HydrophobicContact CZ-CB 3.98Å; F144-C163 VanDerWaalsContact CZ-SG 3.55Å; C163-F193 HydrophobicContact CB-CD2 4.42Å; C163-Y194 CarbonylContact C-O 3.48Å; C163-Y194 WeakPolarHBondContact CA-O 3.46Å; C163-I195 HydrophobicContact CB-CG2 4.14Å
164Y91.9Very high88.5Confident29 Ų2984.6 Ų84.611%0.11442%0.424CS..EExtended strand (participates in β ladder)trans-146.1155.2176.647.1-85.7000111.5Y194 E196Y164-Y194 HydrophobicContact CD2-CD2 4.48Å; Y164-Y194 HydrophobicContact CD2-CG 4.32Å; Y164-Y194 HydrophobicContact CE2-CD2 4.45Å; Y164-Y194 AromaticContact CE2-CG 3.93Å; Y164-Y194 HydrophobicContact CE2-CG 3.93Å; Y164-Y194 PolarHBondContact N-O 3.25Å; Y164-Y194 PolarHBondContact O-N 2.96Å; Y164-E196 HydrophobicContact CE1-CB 3.73Å
165G91.4Very high87.9Confident4 Ų489 Ų894%0.04144%0.444CS..  trans-73.6-175.1176.100000113.2R173 Q175G165-R173 PolarHBondContact N-O 3.46Å; G165-Q175 CarbonylContact C-O 3.44Å; G165-Q175 VanDerWaalsContact CA-O 3.27Å; G165-Q175 WeakPolarHBondContact CA-O 3.1Å
166E88.5Confident87.6Confident71 Ų7186.5 Ų86.533%0.33241%0.414SS..BIsolated β-bridgetrans-62.2137.6174-172.1166.4-144.400110.8T168 Q175 R177 Y194E166-T168 PolarHBondContact O-N 3.29Å; E166-Q175 PolarHBondContact N-O 3.47Å; E166-R177 HydrophobicContact CB-CB 4.28Å; E166-R177 WeakPolarHBondContact OE2-CB 3.13Å; E166-R177 WeakPolarHBondContact OE2-CD 3.3Å; E166-R177 WeakPolarHBondContact OE2-CG 3.35Å; E166-Y194 HydrophobicContact CB-CE2 4.47Å
167T84.5Confident87.4Confident72 Ų7291.7 Ų91.744%0.44243%0.431SS..  trans-80.1114.8177.3-620000109
168T83.9Confident87.3Confident55 Ų5596 Ų9634%0.33745%0.451SS..  trans-64.9156.7170.360.90000110.6E166 R170 G171 R172E166-T168 PolarHBondContact O-N 3.29Å; T168-R170 PolarHBondContact O-N 3.33Å; T168-G171 PolarHBondContact O-N 3.35Å; T168-R172 PolarHBondContact N-O 3.44Å; T168-R172 WeakPolarHBondContact OG1-CA 3.41Å; T168-R172 WeakPolarHBondContact OG1-CB 3.47Å; T168-R172 PolarHBondContact OG1-N 3.09Å; T168-R172 PolarHBondContact OG1-O 3.45Å
169R80.3Confident87.2Confident266 Ų26698.1 Ų98.1100%1.00446%0.459SS*.THydrogen-bonded Turntrans-52.1-24.8173.6-80.8-170.8176.9-178.6-0.4113.9
170R82.8Confident87.2Confident221 Ų22195.6 Ų95.683%0.83445%0.447SS*.THydrogen-bonded Turntrans-90.49178.4-61.6-176.6-178.9176.60.4113.6T168 R172T168-R170 PolarHBondContact O-N 3.33Å; R170-R172 VanDerWaalsContact C-N 3.34Å; R170-R172 PolarHBondContact O-N 3.37Å
171G82.3Confident87.1Confident52 Ų5293.9 Ų93.954%0.53643%0.43SS..SBendtrans802.2177.800000115.9T168T168-G171 PolarHBondContact O-N 3.35Å
172R83.9Confident86.9Confident158 Ų158101.1 Ų101.160%0.59647%0.466SS*.  trans-78.7136.7174.8-58.7-178.9-180-177.1-2.2110.3T168 R170T168-R172 PolarHBondContact N-O 3.44Å; T168-R172 WeakPolarHBondContact OG1-CA 3.41Å; T168-R172 WeakPolarHBondContact OG1-CB 3.47Å; T168-R172 PolarHBondContact OG1-N 3.09Å; T168-R172 PolarHBondContact OG1-O 3.45Å; R170-R172 VanDerWaalsContact C-N 3.34Å; R170-R172 PolarHBondContact O-N 3.37Å
173R83.5Confident86.6Confident113 Ų11399 Ų9943%0.42646%0.456SS..  trans-114.632.5-176.9-58.4-173.8178.5174.66.2114.3G165G165-R173 PolarHBondContact N-O 3.46Å
174Q79.9Confident86.3Confident164 Ų164104 Ų10477%0.76648%0.48SS*.  trans-87.5-17.1-166.7-68.7175.8-15.200114.3
175Q81.2Confident85.9Confident144 Ų144106.4 Ų106.467%0.67352%0.515SS*.BIsolated β-bridgetrans-116.6132.2-170.5-69-177.5-21.200111.2G165 E166G165-Q175 CarbonylContact C-O 3.44Å; G165-Q175 VanDerWaalsContact CA-O 3.27Å; G165-Q175 WeakPolarHBondContact CA-O 3.1Å; E166-Q175 PolarHBondContact N-O 3.47Å
176V85.8Confident85.7Confident17 Ų17109.4 Ų109.410%0.10353%0.529CS..  trans-84.5132.3173.8-177.10000109Y140 H178 V191 K192 F193Y140-V176 HydrophobicContact CD1-CG2 4.19Å; Y140-V176 HydrophobicContact CD2-CB 4.41Å; Y140-V176 HydrophobicContact CD2-CG1 3.88Å; Y140-V176 HydrophobicContact CD2-CG2 3.65Å; Y140-V176 HydrophobicContact CE1-CG2 4.35Å; Y140-V176 HydrophobicContact CE2-CG2 3.81Å; Y140-V176 HydrophobicContact CG-CG1 4.38Å; Y140-V176 HydrophobicContact CG-CG2 3.82Å; V176-H178 PolarHBondContact O-N 3.37Å; V176-H178 PolarHBondContact O-ND1 3.14Å; V176-V191 HydrophobicContact CG1-CG1 3.32Å; V176-K192 WeakPolarHBondContact CG1-O 3.35Å; V176-F193 HydrophobicContact CG1-CB 4.19Å
177R87.8Confident85.7Confident123 Ų123108.9 Ų108.946%0.46453%0.526SS..EExtended strand (participates in β ladder)trans-72.6112.4176.4-172.1177.5173.2-174-3.6108.6E166 K192E166-R177 HydrophobicContact CB-CB 4.28Å; E166-R177 WeakPolarHBondContact OE2-CB 3.13Å; E166-R177 WeakPolarHBondContact OE2-CD 3.3Å; E166-R177 WeakPolarHBondContact OE2-CG 3.35Å; R177-K192 HydrophobicContact CB-CB 4.33Å; R177-K192 PolarHBondContact N-O 3.26Å; R177-K192 PolarHBondContact O-N 2.99Å
178H90.1Very high86Confident93 Ų93106 Ų10643%0.43151%0.507SS..EExtended strand (participates in β ladder)trans-117.8147.7176.260.6-76.8000109.8P136 V176 R190P136-H178 HydrophobicContact CB-CB 3.97Å; P136-H178 HydrophobicContact CG-CB 4.28Å; V176-H178 PolarHBondContact O-N 3.37Å; V176-H178 PolarHBondContact O-ND1 3.14Å; H178-R190 CarbonylContact C-O 3.49Å; H178-R190 VanDerWaalsContact CA-O 3.27Å; H178-R190 WeakPolarHBondContact CA-O 3.42Å
179T90.5Very high86.4Confident70 Ų70103.4 Ų103.443%0.42949%0.491SS..EExtended strand (participates in β ladder)trans-140.1114.1174.5-58.40000107.9R190T179-R190 PolarHBondContact N-O 2.93Å; T179-R190 PolarHBondContact O-N 3.46Å
180E90.3Very high87Confident86 Ų8696 Ų9640%0.40246%0.463SS..EExtended strand (participates in β ladder)trans-92.4133.3174.4-64.3178.3-15900108.7K187 H188 M189E180-K187 WeakPolarHBondContact OE2-CE 3.37Å; E180-K187 IonicContact OE2-NZ 3.24Å; E180-K187 PolarHBondContact OE2-NZ 2.9Å; E180-H188 WeakPolarHBondContact CA-O 3.4Å; E180-M189 HydrophobicContact CG-CB 4.43Å; E180-M189 HydrophobicContact CG-CG 4.14Å; E180-M189 HydrophobicContact CG-SD 4.29Å
181Y90.5Very high87.5Confident49 Ų4985.7 Ų85.719%0.19243%0.425CS..EExtended strand (participates in β ladder)trans-145.8153.8176.765.4-82000110K183 H188 R190 E209Y181-K183 HydrophobicContact CD2-CB 4.1Å; Y181-K183 HydrophobicContact CE2-CB 3.86Å; Y181-K183 HydrophobicContact CE2-CD 4.38Å; Y181-H188 HydrophobicContact CD1-CB 3.98Å; Y181-H188 HydrophobicContact CD2-CB 3.97Å; Y181-H188 HydrophobicContact CE1-CB 3.49Å; Y181-H188 VanDerWaalsContact CE1-CB 3.49Å; Y181-H188 HydrophobicContact CE2-CB 3.51Å; Y181-H188 AromaticContact CE2-CG 3.83Å; Y181-H188 HydrophobicContact CG-CB 4.2Å; Y181-H188 AromaticContact CZ-CG 3.8Å; Y181-H188 AromaticContact CZ-ND1 4Å; Y181-H188 PolarHBondContact N-O 3.42Å; Y181-H188 PolarHBondContact O-N 3.04Å; Y181-H188 VanDerWaalsContact O-O 3.1Å; Y181-H188 PolarHBondContact OH-ND1 3.01Å; Y181-R190 HydrophobicContact CE1-CB 4.44Å; Y181-R190 VanDerWaalsContact CE1-CD 3.5Å; Y181-R190 HydrophobicContact CE1-CG 3.75Å; Y181-R190 PolarHBondContact OH-NE 3.23Å; Y181-R190 PolarHBondContact OH-NH2 2.87Å; Y181-R190 VanDerWaalsContact OH-NH2 3.09Å; Y181-E209 PolarHBondContact OH-OE1 3.31Å; Y181-E209 PolarHBondContact OH-OE2 3.32Å
182M89.8Confident88.1Confident166 Ų16685.6 Ų85.682%0.81841%0.409SS*.EExtended strand (participates in β ladder)trans-97.7129.4174.8-67.4-177.5179.100108.9L186M182-L186 WeakPolarHBondContact CA-O 3.43Å
183K87.4Confident88.6Confident87 Ų8778 Ų7838%0.37838%0.381SS..EExtended strand (participates in β ladder)trans-136.5129.3175.2-165-172.2174-179.50108.4Y181 G185 L186Y181-K183 HydrophobicContact CD2-CB 4.1Å; Y181-K183 HydrophobicContact CE2-CB 3.86Å; Y181-K183 HydrophobicContact CE2-CD 4.38Å; K183-G185 PolarHBondContact O-N 3.19Å; K183-G185 VanDerWaalsContact O-N 3.11Å; K183-L186 PolarHBondContact N-O 3.01Å; K183-L186 PolarHBondContact O-N 2.82Å; K183-L186 VanDerWaalsContact O-O 3.07Å
184D85.1Confident89.1Confident143 Ų14375 Ų7577%0.76537%0.37SS*.THydrogen-bonded Turntrans55.731.3176.9-49.6-40.3000113.6L186D184-L186 PolarHBondContact O-N 3.1Å
185G84.1Confident89.8Confident81 Ų8167.2 Ų67.284%0.83533%0.334SS*.THydrogen-bonded Turntrans77.7-3.5-176.900000115.1K183K183-G185 PolarHBondContact O-N 3.19Å; K183-G185 VanDerWaalsContact O-N 3.11Å
186L86.8Confident90.4Very high66 Ų6662.8 Ų62.835%0.34631%0.313SS..EExtended strand (participates in β ladder)trans-100147.2175-61.8175.5000110.8M182 K183 D184 H188 A214M182-L186 WeakPolarHBondContact CA-O 3.43Å; K183-L186 PolarHBondContact N-O 3.01Å; K183-L186 PolarHBondContact O-N 2.82Å; K183-L186 VanDerWaalsContact O-O 3.07Å; D184-L186 PolarHBondContact O-N 3.1Å; L186-H188 PolarHBondContact O-CD2 3.27Å; L186-A214 HydrophobicContact CD2-CB 4.18Å
187K89.1Confident90.8Very high61 Ų6162.3 Ų62.327%0.26531%0.311SS..EExtended strand (participates in β ladder)trans-83.8122.7174.9-172.6173173.2-170.10109.1E180 E212 Y219E180-K187 WeakPolarHBondContact OE2-CE 3.37Å; E180-K187 IonicContact OE2-NZ 3.24Å; E180-K187 PolarHBondContact OE2-NZ 2.9Å; K187-E212 HydrophobicContact CB-CB 4.16Å; K187-E212 WeakPolarHBondContact O-CB 3.31Å; K187-E212 PolarHBondContact O-N 3.08Å; K187-Y219 VanDerWaalsContact CD-OH 3.3Å; K187-Y219 WeakPolarHBondContact CD-OH 3.43Å; K187-Y219 WeakPolarHBondContact CE-OH 3.37Å
188H91.3Very high91Very high11 Ų1159.6 Ų59.65%0.05131%0.311CS..EExtended strand (participates in β ladder)trans-108.6143.5174.7-72.8-118.6000109.6E180 Y181 L186 E209 S210E180-H188 WeakPolarHBondContact CA-O 3.4Å; Y181-H188 HydrophobicContact CD1-CB 3.98Å; Y181-H188 HydrophobicContact CD2-CB 3.97Å; Y181-H188 HydrophobicContact CE1-CB 3.49Å; Y181-H188 VanDerWaalsContact CE1-CB 3.49Å; Y181-H188 HydrophobicContact CE2-CB 3.51Å; Y181-H188 AromaticContact CE2-CG 3.83Å; Y181-H188 HydrophobicContact CG-CB 4.2Å; Y181-H188 AromaticContact CZ-CG 3.8Å; Y181-H188 AromaticContact CZ-ND1 4Å; Y181-H188 PolarHBondContact N-O 3.42Å; Y181-H188 PolarHBondContact O-N 3.04Å; Y181-H188 VanDerWaalsContact O-O 3.1Å; Y181-H188 PolarHBondContact OH-ND1 3.01Å; L186-H188 PolarHBondContact O-CD2 3.27Å; H188-E209 IonicContact CE1-OE1 2.72Å; H188-E209 IonicContact ND1-OE1 2.87Å; H188-E209 PolarHBondContact ND1-OE1 3.29Å; H188-S210 CarbonylContact C-O 3.56Å; H188-S210 WeakPolarHBondContact CA-O 3.39Å
189M91.5Very high90.9Very high0 Ų061.7 Ų61.70%032%0.321CS..EExtended strand (participates in β ladder)trans-127.5120.9173.1-176.8168.459.200109.7P136 V139 E180 V191 S210 Y219P136-M189 HydrophobicContact CB-SD 4.12Å; P136-M189 HydrophobicContact CG-SD 3.96Å; V139-M189 HydrophobicContact CB-CE 3.49Å; V139-M189 VanDerWaalsContact CB-CE 3.49Å; V139-M189 HydrophobicContact CG1-CE 3.88Å; V139-M189 HydrophobicContact CG2-CE 3.21Å; E180-M189 HydrophobicContact CG-CB 4.43Å; E180-M189 HydrophobicContact CG-CG 4.14Å; E180-M189 HydrophobicContact CG-SD 4.29Å; M189-V191 HydrophobicContact CG-CG2 4.13Å; M189-S210 PolarHBondContact N-O 3.11Å; M189-S210 PolarHBondContact O-N 3.47Å; M189-S210 PolarHBondContact O-OG 2.98Å; M189-S210 VanDerWaalsContact O-OG 3.09Å; M189-Y219 HydrophobicContact CB-CD1 4.3Å; M189-Y219 HydrophobicContact CB-CE1 3.97Å; M189-Y219 HydrophobicContact CE-CD1 4.25Å; M189-Y219 HydrophobicContact CE-CE1 4.35Å
190R93.1Very high90.7Very high112 Ų11264.4 Ų64.442%0.42334%0.34SS..EExtended strand (participates in β ladder)trans-98131.4170.7-83.1165.6-174.6171.16.2109.7H178 T179 Y181 S208 E209H178-R190 CarbonylContact C-O 3.49Å; H178-R190 VanDerWaalsContact CA-O 3.27Å; H178-R190 WeakPolarHBondContact CA-O 3.42Å; T179-R190 PolarHBondContact N-O 2.93Å; T179-R190 PolarHBondContact O-N 3.46Å; Y181-R190 HydrophobicContact CE1-CB 4.44Å; Y181-R190 VanDerWaalsContact CE1-CD 3.5Å; Y181-R190 HydrophobicContact CE1-CG 3.75Å; Y181-R190 PolarHBondContact OH-NE 3.23Å; Y181-R190 PolarHBondContact OH-NH2 2.87Å; Y181-R190 VanDerWaalsContact OH-NH2 3.09Å; R190-S208 CarbonylContact C-O 3.17Å; R190-S208 WeakPolarHBondContact CA-O 3.37Å; R190-E209 HydrophobicContact CG-CB 4.08Å; R190-E209 HydrophobicContact CG-CG 4Å; R190-E209 IonicContact CZ-OE2 3.28Å; R190-E209 VanDerWaalsContact CZ-OE2 3.24Å; R190-E209 IonicContact NE-OE2 2.71Å; R190-E209 PolarHBondContact NE-OE2 3.11Å; R190-E209 IonicContact NH2-OE2 3.93Å; R190-E209 PolarHBondContact NH2-OE2 2.78Å
191V93.8Very high90.5Very high3 Ų362.6 Ų62.62%0.01834%0.344CS..EExtended strand (participates in β ladder)trans-122130.2177.5-174.60000108.1V139 Y140 V176 M189 F193 S208V139-V191 HydrophobicContact CG1-CG2 4.04Å; Y140-V191 HydrophobicContact CD2-CG1 4.49Å; V176-V191 HydrophobicContact CG1-CG1 3.32Å; M189-V191 HydrophobicContact CG-CG2 4.13Å; V191-F193 HydrophobicContact CG1-CD1 4.15Å; V191-S208 PolarHBondContact N-O 2.96Å; V191-S208 PolarHBondContact O-N 3.41Å
192K94.1Very high90.5Very high50 Ų5061.6 Ų61.622%0.21734%0.342CS..EExtended strand (participates in β ladder)trans-122.3126.8174.5-176-175.3-175.1177.80109.4V176 R177 T205 V206 H207V176-K192 WeakPolarHBondContact CG1-O 3.35Å; R177-K192 HydrophobicContact CB-CB 4.33Å; R177-K192 PolarHBondContact N-O 3.26Å; R177-K192 PolarHBondContact O-N 2.99Å; K192-T205 HydrophobicContact CD-CG2 4.31Å; K192-T205 HydrophobicContact CG-CG2 4.11Å; K192-V206 WeakPolarHBondContact CA-O 3.46Å; K192-H207 VanDerWaalsContact CE-CE1 3.48Å; K192-H207 WeakPolarHBondContact CE-CE1 3.28Å
193F95Very high90.7Very high0 Ų057.7 Ų57.70%032%0.321CS..EExtended strand (participates in β ladder)trans-144.6172.617661.8-88000110.9Y140 A143 F144 C163 V176 V191 I195 V206Y140-F193 HydrophobicContact CD2-CB 3.9Å; Y140-F193 AromaticContact CD2-CD1 3.57Å; Y140-F193 HydrophobicContact CD2-CD1 3.57Å; Y140-F193 HydrophobicContact CD2-CD2 4.21Å; Y140-F193 HydrophobicContact CD2-CE1 4.01Å; Y140-F193 AromaticContact CD2-CG 3.66Å; Y140-F193 HydrophobicContact CD2-CG 3.66Å; Y140-F193 HydrophobicContact CD2-CZ 4.49Å; Y140-F193 HydrophobicContact CE2-CB 3.52Å; Y140-F193 AromaticContact CE2-CD1 3.84Å; Y140-F193 HydrophobicContact CE2-CD1 3.84Å; Y140-F193 AromaticContact CE2-CD2 3.62Å; Y140-F193 HydrophobicContact CE2-CD2 3.62Å; Y140-F193 HydrophobicContact CE2-CE1 4.37Å; Y140-F193 HydrophobicContact CE2-CE2 4.18Å; Y140-F193 AromaticContact CE2-CG 3.41Å; Y140-F193 HydrophobicContact CE2-CG 3.41Å; Y140-F193 VanDerWaalsContact CE2-CG 3.41Å; A143-F193 HydrophobicContact CB-CE1 4.07Å; A143-F193 HydrophobicContact CB-CZ 4.28Å; F144-F193 HydrophobicContact CB-CE2 4.31Å; F144-F193 HydrophobicContact CB-CZ 4.27Å; F144-F193 HydrophobicContact CD2-CE2 4.28Å; C163-F193 HydrophobicContact CB-CD2 4.42Å; V176-F193 HydrophobicContact CG1-CB 4.19Å; V191-F193 HydrophobicContact CG1-CD1 4.15Å; F193-I195 HydrophobicContact CD2-CG2 4.07Å; F193-I195 HydrophobicContact CE2-CG2 3.87Å; F193-V206 HydrophobicContact CD1-CB 4.09Å; F193-V206 HydrophobicContact CD1-CG1 4.35Å; F193-V206 HydrophobicContact CD2-CB 3.9Å; F193-V206 HydrophobicContact CD2-CG2 4.01Å; F193-V206 HydrophobicContact CE1-CB 3.79Å; F193-V206 HydrophobicContact CE1-CG1 3.6Å; F193-V206 HydrophobicContact CE2-CB 3.57Å; F193-V206 HydrophobicContact CE2-CG1 3.96Å; F193-V206 HydrophobicContact CE2-CG2 3.54Å; F193-V206 HydrophobicContact CG-CB 4.16Å; F193-V206 HydrophobicContact CZ-CB 3.53Å; F193-V206 HydrophobicContact CZ-CG1 3.39Å; F193-V206 HydrophobicContact CZ-CG2 3.91Å; F193-V206 PolarHBondContact N-O 3.25Å; F193-V206 VanDerWaalsContact N-O 3.14Å; F193-V206 PolarHBondContact O-N 3.39Å
194Y94.5Very high91.1Very high50 Ų5053.5 Ų53.520%0.19630%0.303CS..EExtended strand (participates in β ladder)trans-119.4146.6-174.3-61.9-86.3000109.9C163 Y164 E166 G204 T205C163-Y194 CarbonylContact C-O 3.48Å; C163-Y194 WeakPolarHBondContact CA-O 3.46Å; Y164-Y194 HydrophobicContact CD2-CD2 4.48Å; Y164-Y194 HydrophobicContact CD2-CG 4.32Å; Y164-Y194 HydrophobicContact CE2-CD2 4.45Å; Y164-Y194 AromaticContact CE2-CG 3.93Å; Y164-Y194 HydrophobicContact CE2-CG 3.93Å; Y164-Y194 PolarHBondContact N-O 3.25Å; Y164-Y194 PolarHBondContact O-N 2.96Å; E166-Y194 HydrophobicContact CB-CE2 4.47Å; Y194-G204 CarbonylContact C-O 3.53Å; Y194-G204 WeakPolarHBondContact CA-O 3.04Å; Y194-T205 HydrophobicContact CD1-CG2 4.27Å; Y194-T205 WeakPolarHBondContact CD1-OG1 3.45Å; Y194-T205 HydrophobicContact CE1-CG2 4.02Å; Y194-T205 WeakPolarHBondContact CE1-OG1 3.45Å
195I94.8Very high91.5Very high0 Ų047.2 Ų47.20%027%0.269CS..EExtended strand (participates in β ladder)trans-124.9153.8176.961.1170.3000110.6F144 V147 F157 I161 K162 C163 F193 K203 G204 V206 V226F144-I195 HydrophobicContact CD2-CG2 4.48Å; F144-I195 HydrophobicContact CE2-CG2 4.48Å; V147-I195 HydrophobicContact CG1-CD1 4.39Å; F157-I195 HydrophobicContact CD1-CD1 4.25Å; F157-I195 HydrophobicContact CD2-CD1 3.98Å; F157-I195 HydrophobicContact CE1-CD1 3.93Å; F157-I195 HydrophobicContact CE1-CG1 4.06Å; F157-I195 HydrophobicContact CE2-CD1 3.65Å; F157-I195 HydrophobicContact CG-CD1 4.27Å; F157-I195 HydrophobicContact CZ-CD1 3.62Å; F157-I195 HydrophobicContact CZ-CG1 4.07Å; I161-I195 HydrophobicContact CG2-CB 4.24Å; K162-I195 CarbonylContact O-C 3.51Å; K162-I195 WeakPolarHBondContact O-CA 3.31Å; C163-I195 HydrophobicContact CB-CG2 4.14Å; F193-I195 HydrophobicContact CD2-CG2 4.07Å; F193-I195 HydrophobicContact CE2-CG2 3.87Å; I195-K203 WeakPolarHBondContact O-CA 3.29Å; I195-G204 PolarHBondContact N-O 2.95Å; I195-G204 PolarHBondContact O-N 3.42Å; I195-V206 HydrophobicContact CD1-CG2 3.99Å; I195-V206 HydrophobicContact CG1-CG2 4.06Å; I195-V206 HydrophobicContact CG2-CG2 3.71Å; I195-V226 HydrophobicContact CD1-CG1 3.56Å; I195-V226 HydrophobicContact CG1-CG1 4.45Å
196E93.7Very high92.1Very high51 Ų5143.3 Ų43.324%0.23823%0.229CC..EExtended strand (participates in β ladder)trans-134.7132.8175.4175.7170.8-169.300108.1K162 Y164 L202K162-E196 PolarHBondContact N-O 3.31Å; K162-E196 PolarHBondContact O-N 2.86Å; Y164-E196 HydrophobicContact CE1-CB 3.73Å; E196-L202 WeakPolarHBondContact CA-O 3.45Å
197G93.5Very high92.5Very high7 Ų742.6 Ų42.67%0.07222%0.224CC..  trans-80.2-172.3179.800000112.8F157 E199 L202F157-G197 CarbonylContact O-C 3.55Å; F157-G197 WeakPolarHBondContact O-CA 3.39Å; G197-E199 VanDerWaalsContact C-N 3.34Å; G197-L202 PolarHBondContact N-O 2.75Å
198S91.5Very high92.8Very high66 Ų6639.9 Ų39.946%0.46221%0.212SC..SBendtrans-68.6-36.4174.8-175.20000111.7F157F157-S198 PolarHBondContact O-N 3.04Å
199E89.4Confident92.9Very high137 Ų13739.4 Ų39.464%0.6421%0.21SC*.SBendtrans-80.5131.5-179-68.5-175.1-174.400112.1G197 G201 L202G197-E199 VanDerWaalsContact C-N 3.34Å; E199-G201 PolarHBondContact O-N 3.19Å; E199-L202 HydrophobicContact CB-CB 4.29Å; E199-L202 WeakPolarHBondContact O-CB 3.45Å; E199-L202 PolarHBondContact O-N 3.45Å; E199-L202 VanDerWaalsContact O-N 3.12Å
200P84.8Confident92.9Very high126 Ų12639.4 Ų39.482%0.81821%0.21SC*.THydrogen-bonded Turntrans-64.9122.2178.427-32.9000110.1
201G86.3Confident92.8Very high48 Ų4837.2 Ų37.250%0.49520%0.204SC..THydrogen-bonded Turntrans103.3-8.3-178.400000114E199 K203 T230E199-G201 PolarHBondContact O-N 3.19Å; G201-K203 PolarHBondContact O-N 2.87Å; G201-T230 PolarHBondContact O-OG1 3.01Å
202L91.9Very high92.6Very high28 Ų2839.5 Ų39.515%0.14721%0.214CC..  trans-89.1101.8174.3-15978.8000110.7A156 F157 E196 G197 E199 T230A156-L202 WeakPolarHBondContact O-CD2 3.48Å; F157-L202 HydrophobicContact CB-CD2 4.35Å; F157-L202 HydrophobicContact CD1-CD2 3.93Å; F157-L202 HydrophobicContact CD1-CG 4.11Å; F157-L202 HydrophobicContact CE1-CG 4.39Å; F157-L202 HydrophobicContact CG-CD2 4.34Å; E196-L202 WeakPolarHBondContact CA-O 3.45Å; G197-L202 PolarHBondContact N-O 2.75Å; E199-L202 HydrophobicContact CB-CB 4.29Å; E199-L202 WeakPolarHBondContact O-CB 3.45Å; E199-L202 PolarHBondContact O-N 3.45Å; E199-L202 VanDerWaalsContact O-N 3.12Å; L202-T230 HydrophobicContact CD1-CG2 4.1Å
203K93.6Very high92.2Very high84 Ų8438.8 Ų38.837%0.36521%0.213SC..EExtended strand (participates in β ladder)trans-123152.2-176-65.1177.6-175.3169.20110.5I195 G201 D229I195-K203 WeakPolarHBondContact O-CA 3.29Å; G201-K203 PolarHBondContact O-N 2.87Å; K203-D229 HydrophobicContact CB-CB 4.38Å; K203-D229 WeakPolarHBondContact O-CB 3.13Å; K203-D229 PolarHBondContact O-N 2.99Å
204G94.3Very high91.5Very high0 Ų043.1 Ų43.10%025%0.249CC..EExtended strand (participates in β ladder)trans-145.7160.6175.700000112.4Y194 I195 D227Y194-G204 CarbonylContact C-O 3.53Å; Y194-G204 WeakPolarHBondContact CA-O 3.04Å; I195-G204 PolarHBondContact N-O 2.95Å; I195-G204 PolarHBondContact O-N 3.42Å; G204-D227 CarbonylContact C-O 3.56Å; G204-D227 WeakPolarHBondContact CA-O 3.36Å
205T95.4Very high90.9Very high10 Ų1049.9 Ų49.96%0.06128%0.282CS..EExtended strand (participates in β ladder)trans-115.5124.7176.1-600000108.6K192 Y194 H207 D227 D229K192-T205 HydrophobicContact CD-CG2 4.31Å; K192-T205 HydrophobicContact CG-CG2 4.11Å; Y194-T205 HydrophobicContact CD1-CG2 4.27Å; Y194-T205 WeakPolarHBondContact CD1-OG1 3.45Å; Y194-T205 HydrophobicContact CE1-CG2 4.02Å; Y194-T205 WeakPolarHBondContact CE1-OG1 3.45Å; T205-H207 VanDerWaalsContact CG2-NE2 3.34Å; T205-H207 WeakPolarHBondContact CG2-NE2 3.4Å; T205-D227 PolarHBondContact N-O 3.44Å; T205-D227 PolarHBondContact O-N 3.26Å; T205-D229 PolarHBondContact OG1-OD1 2.91Å
206V95.8Very high90.2Very high0 Ų053.5 Ų53.50%030%0.304CS..EExtended strand (participates in β ladder)trans-100.9130.1177.4-173.60000109.5V147 K192 F193 I195 I224 V226V147-V206 HydrophobicContact CG1-CG2 4.46Å; V147-V206 HydrophobicContact CG2-CG1 4.05Å; K192-V206 WeakPolarHBondContact CA-O 3.46Å; F193-V206 HydrophobicContact CD1-CB 4.09Å; F193-V206 HydrophobicContact CD1-CG1 4.35Å; F193-V206 HydrophobicContact CD2-CB 3.9Å; F193-V206 HydrophobicContact CD2-CG2 4.01Å; F193-V206 HydrophobicContact CE1-CB 3.79Å; F193-V206 HydrophobicContact CE1-CG1 3.6Å; F193-V206 HydrophobicContact CE2-CB 3.57Å; F193-V206 HydrophobicContact CE2-CG1 3.96Å; F193-V206 HydrophobicContact CE2-CG2 3.54Å; F193-V206 HydrophobicContact CG-CB 4.16Å; F193-V206 HydrophobicContact CZ-CB 3.53Å; F193-V206 HydrophobicContact CZ-CG1 3.39Å; F193-V206 HydrophobicContact CZ-CG2 3.91Å; F193-V206 PolarHBondContact N-O 3.25Å; F193-V206 VanDerWaalsContact N-O 3.14Å; F193-V206 PolarHBondContact O-N 3.39Å; I195-V206 HydrophobicContact CD1-CG2 3.99Å; I195-V206 HydrophobicContact CG1-CG2 4.06Å; I195-V206 HydrophobicContact CG2-CG2 3.71Å; V206-I224 HydrophobicContact CG1-CG2 4.07Å; V206-V226 HydrophobicContact CG1-CG2 4.31Å; V206-V226 HydrophobicContact CG2-CG1 4.21Å; V206-V226 HydrophobicContact CG2-CG2 4.01Å
207H95.3Very high89.4Confident51 Ų5152.5 Ų52.524%0.23631%0.308CS..EExtended strand (participates in β ladder)trans-116.8117.5175.3-71.8-85.8000108.9K192 T205 F225 D227K192-H207 VanDerWaalsContact CE-CE1 3.48Å; K192-H207 WeakPolarHBondContact CE-CE1 3.28Å; T205-H207 VanDerWaalsContact CG2-NE2 3.34Å; T205-H207 WeakPolarHBondContact CG2-NE2 3.4Å; H207-F225 HydrophobicContact CB-CD1 4.11Å; H207-F225 HydrophobicContact CB-CD2 4.03Å; H207-F225 HydrophobicContact CB-CE1 3.61Å; H207-F225 HydrophobicContact CB-CE2 3.51Å; H207-F225 HydrophobicContact CB-CG 4.31Å; H207-F225 HydrophobicContact CB-CZ 3.28Å; H207-F225 AromaticContact CD2-CE2 3.56Å; H207-F225 AromaticContact CD2-CZ 3.97Å; H207-F225 AromaticContact CG-CE2 3.7Å; H207-F225 AromaticContact CG-CZ 3.67Å; H207-F225 PolarHBondContact N-O 3.44Å; H207-F225 PolarHBondContact O-N 2.9Å; H207-D227 IonicContact CD2-OD2 3.99Å; H207-D227 IonicContact NE2-OD2 3.64Å
208S94.6Very high88.9Confident3 Ų358.3 Ų58.32%0.02133%0.331CS..EExtended strand (participates in β ladder)trans-122.8132.6177.5176.70000109.9R190 V191 F221R190-S208 CarbonylContact C-O 3.17Å; R190-S208 WeakPolarHBondContact CA-O 3.37Å; V191-S208 PolarHBondContact N-O 2.96Å; V191-S208 PolarHBondContact O-N 3.41Å; S208-F221 VanDerWaalsContact OG-CD1 3.28Å; S208-F221 WeakPolarHBondContact OG-CD1 3.29Å; S208-F221 WeakPolarHBondContact OG-CE1 3.38Å
209E93.3Very high88.7Confident1 Ų155.2 Ų55.21%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-116.8131.7168.4-177.2174132.500109.2Y181 H188 R190 R222 Y223Y181-E209 PolarHBondContact OH-OE1 3.31Å; Y181-E209 PolarHBondContact OH-OE2 3.32Å; H188-E209 IonicContact CE1-OE1 2.72Å; H188-E209 IonicContact ND1-OE1 2.87Å; H188-E209 PolarHBondContact ND1-OE1 3.29Å; R190-E209 HydrophobicContact CG-CB 4.08Å; R190-E209 HydrophobicContact CG-CG 4Å; R190-E209 IonicContact CZ-OE2 3.28Å; R190-E209 VanDerWaalsContact CZ-OE2 3.24Å; R190-E209 IonicContact NE-OE2 2.71Å; R190-E209 PolarHBondContact NE-OE2 3.11Å; R190-E209 IonicContact NH2-OE2 3.93Å; R190-E209 PolarHBondContact NH2-OE2 2.78Å; E209-R222 PolarHBondContact O-N 3.24Å; E209-R222 WeakPolarHBondContact OE1-CD 3.36Å; E209-R222 IonicContact OE1-NH1 3.3Å; E209-R222 PolarHBondContact OE1-NH1 3.25Å; E209-Y223 HydrophobicContact CB-CD1 4.04Å; E209-Y223 HydrophobicContact CB-CD2 4.28Å; E209-Y223 HydrophobicContact CB-CE1 3.53Å; E209-Y223 HydrophobicContact CB-CE2 3.78Å; E209-Y223 HydrophobicContact CB-CG 4.4Å; E209-Y223 HydrophobicContact CG-CE1 4.1Å; E209-Y223 PolarHBondContact N-O 2.9Å; E209-Y223 PolarHBondContact O-N 3.43Å; E209-Y223 PolarHBondContact OE2-OH 2.9Å
210S92.2Very high88.8Confident0 Ų053 Ų530%030%0.299CS..EExtended strand (participates in β ladder)trans-123.4143.3175.458.30000110.6H188 M189 E220H188-S210 CarbonylContact C-O 3.56Å; H188-S210 WeakPolarHBondContact CA-O 3.39Å; M189-S210 PolarHBondContact N-O 3.11Å; M189-S210 PolarHBondContact O-N 3.47Å; M189-S210 PolarHBondContact O-OG 2.98Å; M189-S210 VanDerWaalsContact O-OG 3.09Å; S210-E220 CarbonylContact C-O 3.58Å; S210-E220 WeakPolarHBondContact CA-O 3.39Å; S210-E220 WeakPolarHBondContact CB-O 3.4Å
211K91.4Very high89.2Confident66 Ų6647.8 Ų47.829%0.28726%0.263SS..EExtended strand (participates in β ladder)trans-110.9140.617666.3-178.2-175.7-176.70109.4Y219 E220K211-Y219 WeakPolarHBondContact O-CA 3.35Å; K211-E220 PolarHBondContact N-O 3.35Å; K211-E220 PolarHBondContact O-N 3.47Å
212E88.6Confident89.5Confident52 Ų5248.2 Ų48.224%0.24325%0.25CS..EExtended strand (participates in β ladder)trans-80.5123.1171.7-170.5169159.300109.5K187 Y219K187-E212 HydrophobicContact CB-CB 4.16Å; K187-E212 WeakPolarHBondContact O-CB 3.31Å; K187-E212 PolarHBondContact O-N 3.08Å; E212-Y219 HydrophobicContact CB-CD1 4.5Å; E212-Y219 HydrophobicContact CB-CE1 4.12Å; E212-Y219 HydrophobicContact CB-CE2 4.47Å; E212-Y219 HydrophobicContact CG-CE2 4.3Å; E212-Y219 PolarHBondContact OE2-OH 3.47Å
213N87.1Confident89.6Confident35 Ų3548.6 Ų48.619%0.18725%0.25CC..  trans-80126.6174-77-73000110.7E215 T216 G217 K218 E220N213-E215 PolarHBondContact O-N 3.35Å; N213-T216 WeakPolarHBondContact CB-OG1 3.48Å; N213-T216 PolarHBondContact O-N 2.99Å; N213-G217 WeakPolarHBondContact O-CA 3.41Å; N213-G217 PolarHBondContact O-N 3.27Å; N213-K218 PolarHBondContact N-O 3.34Å; N213-K218 PolarHBondContact ND2-O 3.13Å; N213-E220 WeakPolarHBondContact ND2-CB 3.28Å; N213-E220 WeakPolarHBondContact ND2-CG 3.33Å; N213-E220 PolarHBondContact ND2-OE1 3.46Å; N213-E220 PolarHBondContact ND2-OE2 2.97Å
214A79.8Confident89.7Confident91 Ų9144.6 Ų44.675%0.75223%0.232SC*.THydrogen-bonded Turntrans-63.3-29.4179.200000113L186L186-A214 HydrophobicContact CD2-CB 4.18Å
215E81.5Confident89.7Confident191 Ų19147.1 Ų47.189%0.89324%0.243SC*.THydrogen-bonded Turntrans-80.9-38.5-177.2-59.1-175177.600113N213N213-E215 PolarHBondContact O-N 3.35Å
216T79.8Confident89.8Confident77 Ų7746.6 Ų46.647%0.47224%0.24SC..THydrogen-bonded Turntrans-107.9-14.4-172.7630000113.7N213 K218N213-T216 WeakPolarHBondContact CB-OG1 3.48Å; N213-T216 PolarHBondContact O-N 2.99Å; T216-K218 PolarHBondContact O-N 3.21Å; T216-K218 PolarHBondContact OG1-N 3.33Å
217G78.4Confident89.7Confident30 Ų3049 Ų4931%0.30925%0.253SS..  trans63.613.5-173.600000113.7S133 N213S133-G217 PolarHBondContact OG-O 2.95Å; N213-G217 WeakPolarHBondContact O-CA 3.41Å; N213-G217 PolarHBondContact O-N 3.27Å
218K82.7Confident89.7Confident128 Ų12847.1 Ų47.156%0.55725%0.245SC*.  trans-101.5144-178.6-68179.2-175.8174.40110.5N213 T216 E220N213-K218 PolarHBondContact N-O 3.34Å; N213-K218 PolarHBondContact ND2-O 3.13Å; T216-K218 PolarHBondContact O-N 3.21Å; T216-K218 PolarHBondContact OG1-N 3.33Å; K218-E220 PolarHBondContact O-N 3.04Å
219Y87.3Confident89.5Confident2 Ų250.5 Ų50.51%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-77.8118.5170-72.7-96.1000109.6S133 V139 R142 K187 M189 K211 E212S133-Y219 VanDerWaalsContact O-CD2 3.22Å; S133-Y219 WeakPolarHBondContact O-CD2 3.29Å; V139-Y219 HydrophobicContact CG2-CG 4.31Å; R142-Y219 PolarHBondContact NH1-O 3.15Å; R142-Y219 PolarHBondContact NH2-O 3.46Å; K187-Y219 VanDerWaalsContact CD-OH 3.3Å; K187-Y219 WeakPolarHBondContact CD-OH 3.43Å; K187-Y219 WeakPolarHBondContact CE-OH 3.37Å; M189-Y219 HydrophobicContact CB-CD1 4.3Å; M189-Y219 HydrophobicContact CB-CE1 3.97Å; M189-Y219 HydrophobicContact CE-CD1 4.25Å; M189-Y219 HydrophobicContact CE-CE1 4.35Å; K211-Y219 WeakPolarHBondContact O-CA 3.35Å; E212-Y219 HydrophobicContact CB-CD1 4.5Å; E212-Y219 HydrophobicContact CB-CE1 4.12Å; E212-Y219 HydrophobicContact CB-CE2 4.47Å; E212-Y219 HydrophobicContact CG-CE2 4.3Å; E212-Y219 PolarHBondContact OE2-OH 3.47Å
220E90.3Very high89.3Confident90 Ų9052.7 Ų52.742%0.42128%0.277SS..EExtended strand (participates in β ladder)trans-106.8141.7170.7-75.8175.2-168.400110.1S210 K211 N213 K218 R222S210-E220 CarbonylContact C-O 3.58Å; S210-E220 WeakPolarHBondContact CA-O 3.39Å; S210-E220 WeakPolarHBondContact CB-O 3.4Å; K211-E220 PolarHBondContact N-O 3.35Å; K211-E220 PolarHBondContact O-N 3.47Å; N213-E220 WeakPolarHBondContact ND2-CB 3.28Å; N213-E220 WeakPolarHBondContact ND2-CG 3.33Å; N213-E220 PolarHBondContact ND2-OE1 3.46Å; N213-E220 PolarHBondContact ND2-OE2 2.97Å; K218-E220 PolarHBondContact O-N 3.04Å; E220-R222 PolarHBondContact O-N 3.39Å
221F92.8Very high88.8Confident17 Ų1762.8 Ų62.88%0.07532%0.316CS..EExtended strand (participates in β ladder)trans-73.9126.6178.9-64.9-68.9000109.6V139 R142 A143 I146 S208 I224 N241V139-F221 HydrophobicContact CG1-CE1 3.54Å; V139-F221 HydrophobicContact CG1-CZ 4.02Å; R142-F221 HydrophobicContact CB-CE2 3.94Å; R142-F221 HydrophobicContact CB-CZ 3.84Å; A143-F221 HydrophobicContact CB-CE1 3.85Å; A143-F221 HydrophobicContact CB-CZ 3.92Å; I146-F221 HydrophobicContact CD1-CD2 3.72Å; I146-F221 HydrophobicContact CD1-CE2 3.6Å; S208-F221 VanDerWaalsContact OG-CD1 3.28Å; S208-F221 WeakPolarHBondContact OG-CD1 3.29Å; S208-F221 WeakPolarHBondContact OG-CE1 3.38Å; F221-I224 HydrophobicContact CB-CD1 4.18Å; F221-I224 HydrophobicContact CB-CG1 4.22Å; F221-I224 HydrophobicContact CD1-CD1 3.92Å; F221-I224 HydrophobicContact CD1-CG1 4.11Å; F221-I224 HydrophobicContact CD2-CD1 4.13Å; F221-I224 HydrophobicContact CE1-CD1 4.3Å; F221-I224 HydrophobicContact CG-CD1 3.81Å; F221-I224 HydrophobicContact CG-CG1 4.21Å; F221-N241 PolarHBondContact O-ND2 3.35Å
222R92.6Very high88.5Confident57 Ų5764 Ų6422%0.21533%0.331CS..EExtended strand (participates in β ladder)trans-84.1-46.3171.6-173.6-174.1-178.2176.56.4110.1E209 E220 N241E209-R222 PolarHBondContact O-N 3.24Å; E209-R222 WeakPolarHBondContact OE1-CD 3.36Å; E209-R222 IonicContact OE1-NH1 3.3Å; E209-R222 PolarHBondContact OE1-NH1 3.25Å; E220-R222 PolarHBondContact O-N 3.39Å; R222-N241 CarbonylContact O-C 3.58Å; R222-N241 WeakPolarHBondContact O-CA 3.43Å; R222-N241 PolarHBondContact O-N 3Å
223Y94.4Very high88.5Confident36 Ų3671.9 Ų71.914%0.14136%0.358CS..EExtended strand (participates in β ladder)trans-154150.617360.9-100.6000110.7E209 F225 E239E209-Y223 HydrophobicContact CB-CD1 4.04Å; E209-Y223 HydrophobicContact CB-CD2 4.28Å; E209-Y223 HydrophobicContact CB-CE1 3.53Å; E209-Y223 HydrophobicContact CB-CE2 3.78Å; E209-Y223 HydrophobicContact CB-CG 4.4Å; E209-Y223 HydrophobicContact CG-CE1 4.1Å; E209-Y223 PolarHBondContact N-O 2.9Å; E209-Y223 PolarHBondContact O-N 3.43Å; E209-Y223 PolarHBondContact OE2-OH 2.9Å; Y223-F225 AromaticContact CD2-CD1 3.63Å; Y223-F225 HydrophobicContact CD2-CD1 3.63Å; Y223-F225 AromaticContact CD2-CE1 3.76Å; Y223-F225 HydrophobicContact CD2-CE1 3.76Å; Y223-F225 AromaticContact CE2-CD1 3.86Å; Y223-F225 HydrophobicContact CE2-CD1 3.86Å; Y223-F225 AromaticContact CE2-CE1 3.46Å; Y223-F225 HydrophobicContact CE2-CE1 3.46Å; Y223-F225 VanDerWaalsContact CE2-CE1 3.46Å; Y223-E239 CarbonylContact C-O 3.5Å; Y223-E239 WeakPolarHBondContact CA-O 3.39Å
224I95.6Very high88.7Confident0 Ų076.1 Ų76.10%037%0.372CS..EExtended strand (participates in β ladder)trans-133.7123170.2-54.2177.2000106.9A143 I146 V147 V206 F221 V238 E239A143-I224 HydrophobicContact CB-CD1 4.28Å; I146-I224 HydrophobicContact CB-CD1 4.4Å; I146-I224 HydrophobicContact CD1-CD1 4.01Å; I146-I224 HydrophobicContact CG2-CD1 4.26Å; V147-I224 HydrophobicContact CG2-CG2 3.68Å; V206-I224 HydrophobicContact CG1-CG2 4.07Å; F221-I224 HydrophobicContact CB-CD1 4.18Å; F221-I224 HydrophobicContact CB-CG1 4.22Å; F221-I224 HydrophobicContact CD1-CD1 3.92Å; F221-I224 HydrophobicContact CD1-CG1 4.11Å; F221-I224 HydrophobicContact CD2-CD1 4.13Å; F221-I224 HydrophobicContact CE1-CD1 4.3Å; F221-I224 HydrophobicContact CG-CD1 3.81Å; F221-I224 HydrophobicContact CG-CG1 4.21Å; I224-V238 HydrophobicContact CB-CB 4.29Å; I224-V238 HydrophobicContact CG2-CB 4.23Å; I224-V238 PolarHBondContact O-N 2.88Å; I224-E239 HydrophobicContact CB-CB 4.2Å; I224-E239 HydrophobicContact CD1-CB 4.34Å; I224-E239 HydrophobicContact CG1-CB 4.23Å; I224-E239 PolarHBondContact N-O 2.87Å; I224-E239 PolarHBondContact O-N 2.97Å
225F95.6Very high89.3Confident52 Ų5275.4 Ų75.423%0.22836%0.361CS..EExtended strand (participates in β ladder)trans-133.8153.1170.965.4-93.3000111.2H207 Y223 D227 I236H207-F225 HydrophobicContact CB-CD1 4.11Å; H207-F225 HydrophobicContact CB-CD2 4.03Å; H207-F225 HydrophobicContact CB-CE1 3.61Å; H207-F225 HydrophobicContact CB-CE2 3.51Å; H207-F225 HydrophobicContact CB-CG 4.31Å; H207-F225 HydrophobicContact CB-CZ 3.28Å; H207-F225 AromaticContact CD2-CE2 3.56Å; H207-F225 AromaticContact CD2-CZ 3.97Å; H207-F225 AromaticContact CG-CE2 3.7Å; H207-F225 AromaticContact CG-CZ 3.67Å; H207-F225 PolarHBondContact N-O 3.44Å; H207-F225 PolarHBondContact O-N 2.9Å; Y223-F225 AromaticContact CD2-CD1 3.63Å; Y223-F225 HydrophobicContact CD2-CD1 3.63Å; Y223-F225 AromaticContact CD2-CE1 3.76Å; Y223-F225 HydrophobicContact CD2-CE1 3.76Å; Y223-F225 AromaticContact CE2-CD1 3.86Å; Y223-F225 HydrophobicContact CE2-CD1 3.86Å; Y223-F225 AromaticContact CE2-CE1 3.46Å; Y223-F225 HydrophobicContact CE2-CE1 3.46Å; Y223-F225 VanDerWaalsContact CE2-CE1 3.46Å; F225-D227 WeakPolarHBondContact CE2-OD2 3.42Å; F225-I236 CarbonylContact C-O 3.48Å; F225-I236 VanDerWaalsContact CA-O 3.24Å; F225-I236 WeakPolarHBondContact CA-O 3.48Å; F225-I236 WeakPolarHBondContact CB-O 3.13Å
226V95.9Very high89.9Confident0 Ų066.6 Ų66.60%032%0.32CS..EExtended strand (participates in β ladder)trans-121.2114.8-176.8-1770000108.1V147 V153 F157 I195 V206 S235 I236 V238V147-V226 HydrophobicContact CG1-CG2 3.88Å; V147-V226 HydrophobicContact CG2-CG2 4.03Å; V153-V226 HydrophobicContact CG2-CG2 4.17Å; F157-V226 HydrophobicContact CE2-CG1 3.69Å; F157-V226 HydrophobicContact CZ-CG1 3.95Å; I195-V226 HydrophobicContact CD1-CG1 3.56Å; I195-V226 HydrophobicContact CG1-CG1 4.45Å; V206-V226 HydrophobicContact CG1-CG2 4.31Å; V206-V226 HydrophobicContact CG2-CG1 4.21Å; V206-V226 HydrophobicContact CG2-CG2 4.01Å; V226-S235 CarbonylContact O-C 3.6Å; V226-S235 WeakPolarHBondContact O-CA 3.37Å; V226-I236 HydrophobicContact CB-CB 4.43Å; V226-I236 PolarHBondContact N-O 2.73Å; V226-I236 PolarHBondContact O-N 2.97Å; V226-V238 HydrophobicContact CG2-CG2 3.87Å
227D95.4Very high90.6Very high51 Ų5167.7 Ų67.727%0.27332%0.322SS..EExtended strand (participates in β ladder)trans-89.3122.9172.1-67.5-32.2000109.1G204 T205 H207 F225 S235G204-D227 CarbonylContact C-O 3.56Å; G204-D227 WeakPolarHBondContact CA-O 3.36Å; T205-D227 PolarHBondContact N-O 3.44Å; T205-D227 PolarHBondContact O-N 3.26Å; H207-D227 IonicContact CD2-OD2 3.99Å; H207-D227 IonicContact NE2-OD2 3.64Å; F225-D227 WeakPolarHBondContact CE2-OD2 3.42Å; D227-S235 WeakPolarHBondContact OD1-CB 3.36Å
228V94.3Very high91.4Very high10 Ų1067.2 Ų67.26%0.06131%0.313CS..EExtended strand (participates in β ladder)trans-82.2120.2172.6-175.70000108.1F157 T230 R234 I236F157-V228 HydrophobicContact CE2-CG2 3.9Å; F157-V228 HydrophobicContact CZ-CB 4.43Å; F157-V228 HydrophobicContact CZ-CG1 4.44Å; F157-V228 HydrophobicContact CZ-CG2 3.77Å; V228-T230 VanDerWaalsContact C-N 3.34Å; V228-R234 HydrophobicContact CB-CG 3.86Å; V228-R234 HydrophobicContact CG2-CG 3.64Å; V228-R234 PolarHBondContact N-O 3.44Å; V228-I236 HydrophobicContact CG2-CD1 4.28Å
229D91.3Very high91.8Very high75 Ų7563.5 Ų63.540%0.40130%0.298SS..  trans-76.5-26.6-177.6-65.7-29.2000111.6K203 T205K203-D229 HydrophobicContact CB-CB 4.38Å; K203-D229 WeakPolarHBondContact O-CB 3.13Å; K203-D229 PolarHBondContact O-N 2.99Å; T205-D229 PolarHBondContact OG1-OD1 2.91Å
230T88Confident92Very high47 Ų4767.5 Ų67.529%0.28832%0.319SS..SBendtrans-71144.3179.2-51.50000111.3G201 L202 V228 P232 R233G201-T230 PolarHBondContact O-OG1 3.01Å; L202-T230 HydrophobicContact CD1-CG2 4.1Å; V228-T230 VanDerWaalsContact C-N 3.34Å; T230-P232 CarbonylContact O-C 3.4Å; T230-P232 VanDerWaalsContact O-O 3.07Å; T230-R233 PolarHBondContact O-N 3.03Å
231Y82.8Confident91.9Very high212 Ų21267.2 Ų67.283%0.83132%0.321SS*.SBendtrans-74.8134.9179.6-171.7-94000111.4
232P84.6Confident90.9Very high92 Ų9276.8 Ų76.860%0.59736%0.356SS*.SBendcis-76.2137.8-2.430.9-34.1000112.5T230 R234T230-P232 CarbonylContact O-C 3.4Å; T230-P232 VanDerWaalsContact O-O 3.07Å; P232-R234 PolarHBondContact O-N 3.5Å
233R87.7Confident90.8Very high216 Ų21677.8 Ų77.882%0.81536%0.363SS*.PPolyproline II helixtrans-64.2123.2177.7-65.9-171.6-171.3-177.74.8109.5T230T230-R233 PolarHBondContact O-N 3.03Å
234R91.2Very high90.6Very high124 Ų12479.9 Ų79.947%0.46838%0.375SS..  trans-133.1143.9175.662.1171.9177.7171.2-10.7110.1V228 P232V228-R234 HydrophobicContact CB-CG 3.86Å; V228-R234 HydrophobicContact CG2-CG 3.64Å; V228-R234 PolarHBondContact N-O 3.44Å; P232-R234 PolarHBondContact O-N 3.5Å
235S93.5Very high90.3Very high77 Ų7784.4 Ų84.454%0.53840%0.396SS..EExtended strand (participates in β ladder)trans-105.5123173.1580000109V226 D227V226-S235 CarbonylContact O-C 3.6Å; V226-S235 WeakPolarHBondContact O-CA 3.37Å; D227-S235 WeakPolarHBondContact OD1-CB 3.36Å
236I94.1Very high90Very high6 Ų686.3 Ų86.33%0.03141%0.406CS..EExtended strand (participates in β ladder)trans-100.8122.8176.6-61.3168.9000107.5E152 V153 A156 F225 V226 V228 V238E152-I236 HydrophobicContact CB-CG2 3.83Å; E152-I236 WeakPolarHBondContact OE2-CG2 3.39Å; V153-I236 HydrophobicContact CG2-CG2 4.03Å; A156-I236 HydrophobicContact CB-CD1 3.61Å; F225-I236 CarbonylContact C-O 3.48Å; F225-I236 VanDerWaalsContact CA-O 3.24Å; F225-I236 WeakPolarHBondContact CA-O 3.48Å; F225-I236 WeakPolarHBondContact CB-O 3.13Å; V226-I236 HydrophobicContact CB-CB 4.43Å; V226-I236 PolarHBondContact N-O 2.73Å; V226-I236 PolarHBondContact O-N 2.97Å; V228-I236 HydrophobicContact CG2-CD1 4.28Å; I236-V238 HydrophobicContact CG2-CG2 4.35Å
237I94.9Very high89.6Confident100 Ų10091.7 Ų91.751%0.51343%0.431SS..EExtended strand (participates in β ladder)trans-91.3114.8177.2-57.1172.6000106.9D240I237-D240 HydrophobicContact CG2-CB 3.87Å
238V93.9Very high89.2Confident19 Ų1994.4 Ų94.412%0.11544%0.442CS..EExtended strand (participates in β ladder)trans-92.3-41.5-176172.80000110.6I146 V147 H150 V153 I224 V226 I236I146-V238 HydrophobicContact CG2-CG1 3.65Å; V147-V238 HydrophobicContact CG2-CG1 4.47Å; V147-V238 HydrophobicContact CG2-CG2 4.37Å; H150-V238 HydrophobicContact CB-CG1 3.99Å; H150-V238 HydrophobicContact CB-CG2 4.36Å; V153-V238 HydrophobicContact CG2-CG2 3.64Å; I224-V238 HydrophobicContact CB-CB 4.29Å; I224-V238 HydrophobicContact CG2-CB 4.23Å; I224-V238 PolarHBondContact O-N 2.88Å; V226-V238 HydrophobicContact CG2-CG2 3.87Å; I236-V238 HydrophobicContact CG2-CG2 4.35Å
239E92.1Very high88.9Confident50 Ų50100.4 Ų100.423%0.23447%0.469CS..EExtended strand (participates in β ladder)trans-143.9131.1179.3-167.2173.716600108.3Y223 I224 N241Y223-E239 CarbonylContact C-O 3.5Å; Y223-E239 WeakPolarHBondContact CA-O 3.39Å; I224-E239 HydrophobicContact CB-CB 4.2Å; I224-E239 HydrophobicContact CD1-CB 4.34Å; I224-E239 HydrophobicContact CG1-CB 4.23Å; I224-E239 PolarHBondContact N-O 2.87Å; I224-E239 PolarHBondContact O-N 2.97Å; E239-N241 PolarHBondContact OE1-ND2 2.85Å
240D91.6Very high88.7Confident86 Ų86102.4 Ų102.446%0.4647%0.474SS..EExtended strand (participates in β ladder)trans-138.2101.3176.7-165.56.6000109.6I237 R242I237-D240 HydrophobicContact CG2-CB 3.87Å; D240-R242 VanDerWaalsContact OD1-CB 3.32Å; D240-R242 WeakPolarHBondContact OD1-CB 3.39Å; D240-R242 WeakPolarHBondContact OD1-CD 3.37Å; D240-R242 WeakPolarHBondContact OD1-CG 3.2Å; D240-R242 PolarHBondContact OD1-N 3.46Å
241N87.3Confident88.8Confident84 Ų84107 Ų10745%0.44949%0.49SS..  trans-11442.1177.9-60.6-40.3000109.7F221 R222 E239F221-N241 PolarHBondContact O-ND2 3.35Å; R222-N241 CarbonylContact O-C 3.58Å; R222-N241 WeakPolarHBondContact O-CA 3.43Å; R222-N241 PolarHBondContact O-N 3Å; E239-N241 PolarHBondContact OE1-ND2 2.85Å
242R71.4Confident89.3Confident218 Ų21897.5 Ų97.582%0.82346%0.458SS*.  trans-65.70-173.6-98.8178.5178.4-172.33.5115.4D240D240-R242 VanDerWaalsContact OD1-CB 3.32Å; D240-R242 WeakPolarHBondContact OD1-CB 3.39Å; D240-R242 WeakPolarHBondContact OD1-CD 3.37Å; D240-R242 WeakPolarHBondContact OD1-CG 3.2Å; D240-R242 PolarHBondContact OD1-N 3.46Å

Retrieved 242 of 242 residues in 84 ms (Link to these results)

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