A0A087X8H6_POEFO Loading...

TM2 domain-containing protein 2

AlphaFold DB , UniProt , Accession A0A087X8H6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 231 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
1M40.9Very low63.4Low243 Ų243134.2 Ų134.2100%1.19772%0.721SS**  097.40-69.3178.7-89.100108.2
2R43.3Very low64.7Low258 Ų258133.1 Ų133.197%0.97471%0.714SS**  trans-89104.6173.1-85.9179.6175.3177.1-1.9107.2
3G51.6Low65.9Low67 Ų67130.2 Ų130.269%0.69170%0.697SS**  trans-65.5129.7172.300000109.4M5G3-M5 PolarHBondContact O-N 3.03Å
4A56.7Low66.5Low94 Ų94125.3 Ų125.378%0.77768%0.677SS**  trans-62.3107.1172.100000108.4I6A4-I6 PolarHBondContact O-N 3.06Å
5M60Low67.8Low187 Ų187119.1 Ų119.192%0.92166%0.655SS**  trans-74.196.8171.3-62.7-172.798.600107.1G3 S7G3-M5 PolarHBondContact O-N 3.03Å; M5-S7 PolarHBondContact O-N 3.12Å; M5-S7 VanDerWaalsContact O-N 3.12Å
6I64Low69Low118 Ų118118.7 Ų118.761%0.60565%0.647SS**  trans-62.7114.4172.2-63.6148000106.4A4 V8 Y10 I11A4-I6 PolarHBondContact O-N 3.06Å; I6-V8 PolarHBondContact O-N 3.35Å; I6-Y10 HydrophobicContact CG2-CD1 4.21Å; I6-I11 HydrophobicContact CG2-CD1 4.32Å; I6-I11 HydrophobicContact CG2-CG1 4.09Å
7S74.8Confident69.9Low73 Ų73116.5 Ų116.551%0.5163%0.63SS.*  trans-59.1130.8-176.4179.20000109.8M5 S9 Y10 I11M5-S7 PolarHBondContact O-N 3.12Å; M5-S7 VanDerWaalsContact O-N 3.12Å; S7-S9 PolarHBondContact O-N 3.42Å; S7-S9 PolarHBondContact OG-N 3.43Å; S7-Y10 WeakPolarHBondContact O-CA 3.27Å; S7-Y10 VanDerWaalsContact O-CB 3.27Å; S7-Y10 WeakPolarHBondContact O-CB 3.47Å; S7-Y10 PolarHBondContact O-N 3.4Å; S7-I11 PolarHBondContact O-N 2.95Å
8V75.3Confident70.8Confident101 Ų101116.5 Ų116.561%0.61263%0.629SS**Hα-helixtrans-52.7-30.4175.4177.60000111.1I6 Y10 I11 L12I6-V8 PolarHBondContact O-N 3.35Å; V8-Y10 VanDerWaalsContact C-N 3.31Å; V8-Y10 PolarHBondContact O-N 2.82Å; V8-I11 PolarHBondContact O-N 2.91Å; V8-L12 HydrophobicContact CG1-CD1 4.01Å; V8-L12 HydrophobicContact CG1-CG 4.29Å; V8-L12 VanDerWaalsContact O-CG 3.3Å; V8-L12 WeakPolarHBondContact O-CG 3.3Å; V8-L12 PolarHBondContact O-N 3.24Å
9S73.4Confident71.6Confident69 Ų69116.6 Ų116.648%0.48363%0.628SS.*Hα-helixtrans-62.1-34.9174.5-172.90000113.1S7 L13S7-S9 PolarHBondContact O-N 3.42Å; S7-S9 PolarHBondContact OG-N 3.43Å; S9-L13 WeakPolarHBondContact O-CB 3.28Å; S9-L13 PolarHBondContact O-N 3.41Å
10Y77Confident72.3Confident165 Ų165115.3 Ų115.365%0.64762%0.62SS**Hα-helixtrans-69.8-39.3175.6-170.9-98.6000111.8I6 S7 V8 L13 C14I6-Y10 HydrophobicContact CG2-CD1 4.21Å; S7-Y10 WeakPolarHBondContact O-CA 3.27Å; S7-Y10 VanDerWaalsContact O-CB 3.27Å; S7-Y10 WeakPolarHBondContact O-CB 3.47Å; S7-Y10 PolarHBondContact O-N 3.4Å; V8-Y10 VanDerWaalsContact C-N 3.31Å; V8-Y10 PolarHBondContact O-N 2.82Å; Y10-L13 PolarHBondContact O-N 3.05Å; Y10-C14 VanDerWaalsContact O-CB 3.28Å; Y10-C14 WeakPolarHBondContact O-CB 3.44Å; Y10-C14 PolarHBondContact O-N 3.43Å
11I80.6Confident72.7Confident101 Ų101113 Ų11352%0.51861%0.605SS.*Hα-helixtrans-65.5-42.5176.2-60.7171.3000110.3I6 S7 V8 C14 G15I6-I11 HydrophobicContact CG2-CD1 4.32Å; I6-I11 HydrophobicContact CG2-CG1 4.09Å; S7-I11 PolarHBondContact O-N 2.95Å; V8-I11 PolarHBondContact O-N 2.91Å; I11-C14 PolarHBondContact O-N 3Å; I11-G15 PolarHBondContact O-N 3.3Å
12L78.6Confident74.7Confident121 Ų121104.1 Ų104.163%0.63457%0.57SS**Hα-helixtrans-66.7-40.8176.5-68.7172.1000112.1V8 G15 Q16V8-L12 HydrophobicContact CG1-CD1 4.01Å; V8-L12 HydrophobicContact CG1-CG 4.29Å; V8-L12 VanDerWaalsContact O-CG 3.3Å; V8-L12 WeakPolarHBondContact O-CG 3.3Å; V8-L12 PolarHBondContact O-N 3.24Å; L12-G15 PolarHBondContact O-N 3.49Å; L12-Q16 PolarHBondContact O-N 3.4Å
13L80.9Confident76.5Confident95 Ų9594.4 Ų94.450%0.49755%0.545SS..Hα-helixtrans-62.6-43.7173.9-113.797.4000111.7S9 Y10 G15 Q16 F17S9-L13 WeakPolarHBondContact O-CB 3.28Å; S9-L13 PolarHBondContact O-N 3.41Å; Y10-L13 PolarHBondContact O-N 3.05Å; L13-G15 VanDerWaalsContact C-N 3.34Å; L13-Q16 PolarHBondContact O-N 2.91Å; L13-F17 PolarHBondContact O-N 2.92Å
14C74.1Confident77.9Confident62 Ų6296.1 Ų96.142%0.41954%0.537SS..Hα-helixtrans-65.8-39.2180-158.40000111.3Y10 I11 F17 L18Y10-C14 VanDerWaalsContact O-CB 3.28Å; Y10-C14 WeakPolarHBondContact O-CB 3.44Å; Y10-C14 PolarHBondContact O-N 3.43Å; I11-C14 PolarHBondContact O-N 3Å; C14-F17 PolarHBondContact O-N 3.01Å; C14-L18 WeakPolarHBondContact O-CB 3.5Å; C14-L18 PolarHBondContact O-N 3Å
15G85.3Confident78.8Confident33 Ų3395.4 Ų95.434%0.3452%0.52SS..Hα-helixtrans-63.3-42173.500000112.8I11 L12 L13 L18 L19I11-G15 PolarHBondContact O-N 3.3Å; L12-G15 PolarHBondContact O-N 3.49Å; L13-G15 VanDerWaalsContact C-N 3.34Å; G15-L18 PolarHBondContact O-N 3.34Å; G15-L19 WeakPolarHBondContact O-CG 3.4Å; G15-L19 PolarHBondContact O-N 3.45Å
16Q86.9Confident79.7Confident112 Ų11292.8 Ų92.852%0.52351%0.509SS..Hα-helixtrans-65.5-39.9177.8-169.863.52100112.1L12 L13 L19 L20L12-Q16 PolarHBondContact O-N 3.4Å; L13-Q16 PolarHBondContact O-N 2.91Å; Q16-L19 PolarHBondContact O-N 3.04Å; Q16-L20 HydrophobicContact CG-CD1 4.28Å; Q16-L20 WeakPolarHBondContact O-CB 3.48Å; Q16-L20 WeakPolarHBondContact O-CG 3.36Å; Q16-L20 PolarHBondContact O-N 3.47Å
17F85.8Confident80.1Confident82 Ų8294.8 Ų94.836%0.3652%0.515SS..Hα-helixtrans-64.9-42.3174.7-102.9-85.6000112.3L13 C14 L19 L20 F21 L203 I205L13-F17 PolarHBondContact O-N 2.92Å; C14-F17 PolarHBondContact O-N 3.01Å; F17-L19 PolarHBondContact O-N 3.35Å; F17-L20 PolarHBondContact O-N 3Å; F17-F21 WeakPolarHBondContact O-CB 3.17Å; F17-F21 PolarHBondContact O-N 2.92Å; F17-L203 HydrophobicContact CD2-CD2 4.11Å; F17-L203 HydrophobicContact CE1-CB 4.44Å; F17-L203 HydrophobicContact CE1-CD2 4.32Å; F17-L203 HydrophobicContact CE2-CD2 3.71Å; F17-L203 HydrophobicContact CZ-CD1 4.2Å; F17-L203 HydrophobicContact CZ-CD2 3.83Å; F17-L203 HydrophobicContact CZ-CG 4.45Å; F17-I205 HydrophobicContact CD1-CD1 4.48Å; F17-I205 HydrophobicContact CE1-CD1 4.04Å
18L85.1Confident79.5Confident116 Ų11695.3 Ų95.361%0.60752%0.518SS*.Hα-helixtrans-62.1-41.7176.3-85.4161.4000112.3C14 G15 F21 A22C14-L18 WeakPolarHBondContact O-CB 3.5Å; C14-L18 PolarHBondContact O-N 3Å; G15-L18 PolarHBondContact O-N 3.34Å; L18-F21 PolarHBondContact O-N 3.05Å; L18-A22 WeakPolarHBondContact O-CB 3.47Å; L18-A22 PolarHBondContact O-N 3.47Å
19L85.8Confident79Confident119 Ų11996.4 Ų96.462%0.62352%0.52SS*.Hα-helixtrans-66.2-41.2176.7-75.5175000112.4G15 Q16 F17 A23G15-L19 WeakPolarHBondContact O-CG 3.4Å; G15-L19 PolarHBondContact O-N 3.45Å; Q16-L19 PolarHBondContact O-N 3.04Å; F17-L19 PolarHBondContact O-N 3.35Å; L19-A23 WeakPolarHBondContact O-CB 3.47Å; L19-A23 PolarHBondContact O-N 3.13Å
20L85.3Confident78.1Confident90 Ų9096.3 Ų96.347%0.47153%0.53SS..Hα-helixtrans-65.8-42.1176.3-76.4166.8000111.8Q16 F17 A23 I24Q16-L20 HydrophobicContact CG-CD1 4.28Å; Q16-L20 WeakPolarHBondContact O-CB 3.48Å; Q16-L20 WeakPolarHBondContact O-CG 3.36Å; Q16-L20 PolarHBondContact O-N 3.47Å; F17-L20 PolarHBondContact O-N 3Å; L20-A23 PolarHBondContact O-N 3.36Å; L20-I24 VanDerWaalsContact O-CG1 3.3Å; L20-I24 WeakPolarHBondContact O-CG1 3.23Å; L20-I24 PolarHBondContact O-N 3.48Å
21F81.8Confident76.9Confident68 Ų6891.5 Ų91.530%0.29853%0.53SS..Hα-helixtrans-65.1-42178.6-166-98.5000112.1F17 L18 A23 I24 L25 F208F17-F21 WeakPolarHBondContact O-CB 3.17Å; F17-F21 PolarHBondContact O-N 2.92Å; L18-F21 PolarHBondContact O-N 3.05Å; F21-A23 VanDerWaalsContact C-N 3.35Å; F21-A23 PolarHBondContact O-N 3.29Å; F21-I24 PolarHBondContact O-N 2.98Å; F21-L25 HydrophobicContact CD1-CD1 3.7Å; F21-L25 HydrophobicContact CE1-CD1 3.43Å; F21-L25 VanDerWaalsContact CE1-CD1 3.43Å; F21-L25 HydrophobicContact CZ-CD1 4.28Å; F21-L25 PolarHBondContact O-N 3.38Å; F21-F208 HydrophobicContact CE2-CD1 4.49Å; F21-F208 AromaticContact CZ-CD1 3.71Å; F21-F208 HydrophobicContact CZ-CD1 3.71Å; F21-F208 AromaticContact CZ-CE1 3.91Å; F21-F208 HydrophobicContact CZ-CE1 3.91Å; F21-F208 HydrophobicContact CZ-CG 4.09Å; F21-F208 HydrophobicContact CZ-CZ 4.47Å
22A82.9Confident75.2Confident56 Ų5693.7 Ų93.746%0.46354%0.542SS..Hα-helixtrans-63.2-39.1174.400000112.5L18 L25 L26L18-A22 WeakPolarHBondContact O-CB 3.47Å; L18-A22 PolarHBondContact O-N 3.47Å; A22-L25 PolarHBondContact O-N 3.24Å; A22-L26 PolarHBondContact O-N 3.4Å; A22-L26 VanDerWaalsContact O-N 3.13Å
23A80Confident73.5Confident53 Ų5396.6 Ų96.644%0.43855%0.552SS.*Hα-helixtrans-65.6-38.9176.700000112.5L19 L20 F21 L26 Q27L19-A23 WeakPolarHBondContact O-CB 3.47Å; L19-A23 PolarHBondContact O-N 3.13Å; L20-A23 PolarHBondContact O-N 3.36Å; F21-A23 VanDerWaalsContact C-N 3.35Å; F21-A23 PolarHBondContact O-N 3.29Å; A23-L26 PolarHBondContact O-N 3.27Å; A23-Q27 WeakPolarHBondContact O-CG 3.46Å; A23-Q27 PolarHBondContact O-N 3.05Å
24I81.7Confident71.5Confident103 Ų10396.7 Ų96.753%0.52856%0.56SS.*Hα-helixtrans-67-44.4176.9-68.1164.1000110.9L20 F21 L26 Q27 C28L20-I24 VanDerWaalsContact O-CG1 3.3Å; L20-I24 WeakPolarHBondContact O-CG1 3.23Å; L20-I24 PolarHBondContact O-N 3.48Å; F21-I24 PolarHBondContact O-N 2.98Å; I24-L26 VanDerWaalsContact C-N 3.26Å; I24-L26 PolarHBondContact O-N 2.97Å; I24-Q27 WeakPolarHBondContact O-CB 3.33Å; I24-Q27 PolarHBondContact O-N 3.08Å; I24-Q27 VanDerWaalsContact O-N 3.11Å; I24-C28 PolarHBondContact O-N 3.47Å; I24-C28 PolarHBondContact O-SG 2.98Å; I24-C28 VanDerWaalsContact O-SG 3.35Å
25L76.2Confident69.9Low79 Ų79102.7 Ų102.741%0.41458%0.582SS.*Hα-helixtrans-56.8-40.1175-100.3152.4000112.3F21 A22 Q27 C28 L29F21-L25 HydrophobicContact CD1-CD1 3.7Å; F21-L25 HydrophobicContact CE1-CD1 3.43Å; F21-L25 VanDerWaalsContact CE1-CD1 3.43Å; F21-L25 HydrophobicContact CZ-CD1 4.28Å; F21-L25 PolarHBondContact O-N 3.38Å; A22-L25 PolarHBondContact O-N 3.24Å; L25-Q27 VanDerWaalsContact C-N 3.34Å; L25-Q27 PolarHBondContact O-N 2.83Å; L25-C28 PolarHBondContact O-N 3.09Å; L25-L29 VanDerWaalsContact O-CD1 3.31Å; L25-L29 WeakPolarHBondContact O-CD1 3.26Å; L25-L29 PolarHBondContact O-N 2.79Å
26L78Confident67.5Low133 Ų133108.3 Ų108.370%0.69660%0.604SS**Hα-helixtrans-68.7-32.6178.4-15966.9000112.6A22 A23 I24A22-L26 PolarHBondContact O-N 3.4Å; A22-L26 VanDerWaalsContact O-N 3.13Å; A23-L26 PolarHBondContact O-N 3.27Å; I24-L26 VanDerWaalsContact C-N 3.26Å; I24-L26 PolarHBondContact O-N 2.97Å
27Q73.7Confident64.8Low159 Ų159107.3 Ų107.374%0.74361%0.61SS**Hα-helixtrans-70.2-38.9174.2-64.6-100.7-8.800111.6A23 I24 L25 G30A23-Q27 WeakPolarHBondContact O-CG 3.46Å; A23-Q27 PolarHBondContact O-N 3.05Å; I24-Q27 WeakPolarHBondContact O-CB 3.33Å; I24-Q27 PolarHBondContact O-N 3.08Å; I24-Q27 VanDerWaalsContact O-N 3.11Å; L25-Q27 VanDerWaalsContact C-N 3.34Å; L25-Q27 PolarHBondContact O-N 2.83Å; Q27-G30 PolarHBondContact O-N 3.22Å
28C62.2Low62.3Low84 Ų84108 Ų10857%0.56863%0.625SS**Hα-helixtrans-67-35177.9-66.30000112.9I24 L25 G30 G31I24-C28 PolarHBondContact O-N 3.47Å; I24-C28 PolarHBondContact O-SG 2.98Å; I24-C28 VanDerWaalsContact O-SG 3.35Å; L25-C28 PolarHBondContact O-N 3.09Å; C28-G30 VanDerWaalsContact C-N 3.28Å; C28-G30 PolarHBondContact O-N 2.81Å; C28-G31 PolarHBondContact O-N 3.33Å
29L62.9Low59.7Low125 Ų125109 Ų10965%0.65464%0.636SS**Hα-helixtrans-69.2-23.9174.5-95.483.8000113.3L25L25-L29 VanDerWaalsContact O-CD1 3.31Å; L25-L29 WeakPolarHBondContact O-CD1 3.26Å; L25-L29 PolarHBondContact O-N 2.79Å
30G55.2Low57.1Low67 Ų67108 Ų10869%0.69164%0.644SS**THydrogen-bonded Turntrans-79.4-11.8177.500000115Q27 C28Q27-G30 PolarHBondContact O-N 3.22Å; C28-G30 VanDerWaalsContact C-N 3.28Å; C28-G30 PolarHBondContact O-N 2.81Å
31G52Low54.4Low63 Ų63108.1 Ų108.165%0.64966%0.659SS**THydrogen-bonded Turntrans-90.2-1.4-17100000116.7C28 H33C28-G31 PolarHBondContact O-N 3.33Å; G31-H33 VanDerWaalsContact C-N 3.32Å; G31-H33 PolarHBondContact O-N 3.27Å
32I45.2Very low52.1Low148 Ų148110.5 Ų110.576%0.75968%0.684SS**  trans-88.19.4-168.4-27.3178.3000113.8
33H42.5Very low49.5Very low182 Ų182114 Ų11484%0.84370%0.7SS**SBendtrans-124.574.7178.1-161.1-70.3000112G31G31-H33 VanDerWaalsContact C-N 3.32Å; G31-H33 PolarHBondContact O-N 3.27Å
34S38.3Very low47Very low97 Ų97116 Ų11668%0.67872%0.716SS**  trans172.1107.1140.8-169.70000111
35Q41.1Very low44.5Very low187 Ų187115.5 Ų115.587%0.87473%0.727SS**  171.291.9121.4-90.3178.678.900110.2
36N34.2Very low42.7Very low151 Ų151117.4 Ų117.481%0.80775%0.745SS**  trans-78.3157.8147.7-177.322.8000107.8
37S30.4Very low40.2Very low91 Ų91115.6 Ų115.664%0.63675%0.749SS**  trans107.4103.8159.2-60.10000118.4
38S33.8Very low38Very low98 Ų98113 Ų11369%0.68575%0.754SS**  107.2108.7112.9-62.10000120.4
39T31.4Very low36.3Very low137 Ų137114.3 Ų114.384%0.8476%0.764SS**  54.8126.1124.757.90000122.6
40A30.6Very low35.1Very low96 Ų96113.6 Ų113.679%0.79377%0.767SS**  -178.8112.2127.100000108.1
41A29Very low33.7Very low94 Ų94115.4 Ų115.478%0.77777%0.765SS**  68111.374.700000114.7
42S33.8Very low32.6Very low117 Ų117121.5 Ų121.582%0.81878%0.777SS**  trans158.9153.4135.142.90000111.7
43T26.8Very low31.6Very low130 Ų130117.9 Ų117.980%0.79878%0.776SS**  cis-173.1152.6-28.5-54.20000105.4
44A28.2Very low30.9Very low95 Ų95114 Ų11479%0.78578%0.775SS**  trans81.7121147.600000122.8
45A28.3Very low30.4Very low92 Ų92115.6 Ų115.676%0.7679%0.786SS**  trans-77-178153.500000110.6
46P38.6Very low29.7Very low120 Ų120111.2 Ų111.278%0.77978%0.776SS**  -155.3173.552.641.8-18.7000119.3
47A26.5Very low29.4Very low95 Ų95111.7 Ų111.779%0.78578%0.778SS**  trans85.5124.9136.200000124.1
48A26.8Very low29.8Very low103 Ų103112.2 Ų112.285%0.85178%0.779SS**  101.1133.1127.500000121.9
49S26.6Very low29.3Very low112 Ų112112.6 Ų112.678%0.78378%0.782SS**  trans-89.3-160.1-172.7-9.80000112.9
50P37.1Very low29Very low111 Ų111110.6 Ų110.672%0.72177%0.774SS**  cis-139.8-175.7-31.230-6.7000115.1
51T26.4Very low28.8Very low105 Ų105114.8 Ų114.864%0.64478%0.777SS**  trans100.5112.8137.4-13.40000123.3
52Q28.1Very low28.8Very low191 Ų191117 Ų11789%0.89378%0.775SS**  72.4143.5127.5-71.6178.912.800127
53G25.4Very low28.9Very low72 Ų72117.3 Ų117.374%0.74277%0.774SS**  trans128.490.3146.300000113.6
54A27.8Very low29Very low99 Ų99118.9 Ų118.982%0.81877%0.772SS**  57.6112.975.400000116
55S28Very low28.8Very low132 Ų132122 Ų12292%0.92378%0.775SS**  trans-174.4154.9146.5-84.50000111.6
56S27.1Very low28.9Very low95 Ų95123.4 Ų123.466%0.66477%0.774SS**  trans-130.7148.9-145.350.80000114.1
57L26.7Very low28.2Very low161 Ų161126 Ų12684%0.84377%0.773SS**  trans65172.4137-72.5165.8000118.7
58P38.7Very low28.8Very low101 Ų101132.6 Ų132.666%0.65678%0.779SS**  cis-141.3-163.6-45.438.1-19.6000112.8
59S24.2Very low28.9Very low106 Ų106135 Ų13574%0.74177%0.773SS**  trans107.6145.8150.9-39.90000114.8
60S25Very low30Very low96 Ų96134.7 Ų134.767%0.67178%0.777SS**  cis-175.1143.4-20.9-1010000106
61E25.2Very low30Very low184 Ų184134.1 Ų134.186%0.8677%0.773SS**  trans48.4127.6144.8-78.8155.610300125
62L30.2Very low30.9Very low141 Ų141134.3 Ų134.374%0.73879%0.786SS**  trans-22.6161.4145.8-127.174000118
63P35Very low31.3Very low122 Ų122131.3 Ų131.379%0.79277%0.772SS**  -144.5136.869.528.4-5.4000115.3
64E28.4Very low32.2Very low164 Ų164135.7 Ų135.777%0.76678%0.778SS**  64.1114.295-160165135.600117.7
65L25.2Very low32.8Very low160 Ų160135 Ų13584%0.83876%0.761SS**  trans-165.9139.7134.1-156.260.7000113.8
66T29.5Very low33.9Very low122 Ų122133.9 Ų133.975%0.74875%0.749SS**  trans-38.2147.8-178.842.30000121.6
67K24.3Very low35.2Very low174 Ų174135.8 Ų135.876%0.75775%0.747SS**  163130.2101.2-170.4179.4177.4-156.70111.5E69K67-E69 IonicContact NZ-OE2 3.43Å; K67-E69 PolarHBondContact NZ-OE2 3.18Å
68Y38.6Very low36.9Very low233 Ų233131.9 Ų131.991%0.91473%0.731SS**  trans-79.2127.5172.4-72.7-91.5000111.6
69E30.2Very low38.4Very low153 Ų153133.3 Ų133.372%0.71572%0.724SS**  trans-151.5128.2155.1-138.5138.7141.800106.9K67 P71K67-E69 IonicContact NZ-OE2 3.43Å; K67-E69 PolarHBondContact NZ-OE2 3.18Å; E69-P71 VanDerWaalsContact O-CD 3.28Å; E69-P71 WeakPolarHBondContact O-CD 3.36Å
70A49.3Very low41.1Very low106 Ų106135.9 Ų135.988%0.87673%0.725SS**  trans-81.9129.8-178.100000111.3
71P35.8Very low44Very low99 Ų99136.2 Ų136.264%0.64371%0.712SS**  trans-138.2170.7145.737.1-21.3000112.2E69 E73E69-P71 VanDerWaalsContact O-CD 3.28Å; E69-P71 WeakPolarHBondContact O-CD 3.36Å; P71-E73 VanDerWaalsContact O-CG 3.3Å; P71-E73 WeakPolarHBondContact O-CG 3.24Å; P71-E73 PolarHBondContact O-N 3.12Å
72A46.8Very low46.9Very low109 Ų109135.8 Ų135.890%0.90170%0.703SS**  trans-42.7109177.100000112.6
73E35Very low49.6Very low128 Ų128134 Ų13460%0.59870%0.699SS**  trans-98.4116-178.4-69.6-152.2145.600110.7P71 N75P71-E73 VanDerWaalsContact O-CG 3.3Å; P71-E73 WeakPolarHBondContact O-CG 3.24Å; P71-E73 PolarHBondContact O-N 3.12Å; E73-N75 HydrophobicContact CB-CB 3.89Å; E73-N75 PolarHBondContact O-N 3.03Å; E73-N75 PolarHBondContact OE1-ND2 3.16Å; E73-N75 PolarHBondContact OE2-ND2 2.97Å
74N46.1Very low52.1Low165 Ų165134.2 Ų134.288%0.88270%0.701SS**  trans-68.640.9154.7-165.328000110.8
75N38.6Very low54.9Low85 Ų85128.3 Ų128.346%0.45568%0.677SS.*  trans-118.3102.7179.4-62.6-35.1000107.6E73 E77E73-N75 HydrophobicContact CB-CB 3.89Å; E73-N75 PolarHBondContact O-N 3.03Å; E73-N75 PolarHBondContact OE1-ND2 3.16Å; E73-N75 PolarHBondContact OE2-ND2 2.97Å; N75-E77 HydrophobicContact CB-CG 4.18Å; N75-E77 PolarHBondContact O-N 3.24Å
76T51.4Low57.9Low108 Ų108126.9 Ų126.966%0.66368%0.678SS**  trans-65.470159.3-52.10000107.8P78 R150T76-P78 WeakPolarHBondContact O-CD 3.46Å; T76-R150 HydrophobicContact CG2-CG 4.45Å
77E55.1Low60.8Low134 Ų134122.4 Ų122.463%0.62665%0.65SS**PPolyproline II helixtrans-64.3118.8168.1-76.3-64.5119.700106.4N75 Y79N75-E77 HydrophobicContact CB-CG 4.18Å; N75-E77 PolarHBondContact O-N 3.24Å; E77-Y79 PolarHBondContact O-N 3.3Å
78P63.1Low64.1Low79 Ų79117.8 Ų117.851%0.51364%0.636SS.*PPolyproline II helixtrans-60.5118.6-17822.5-30.2000108.4T76 E80T76-P78 WeakPolarHBondContact O-CD 3.46Å; P78-E80 PolarHBondContact O-N 2.84Å; P78-E80 VanDerWaalsContact O-N 3.08Å
79Y69.4Low66.7Low131 Ų131108.2 Ų108.251%0.51460%0.601SS.*BIsolated β-bridgetrans-54.8120175.8-70.5-85000108.9E77 A147 G148E77-Y79 PolarHBondContact O-N 3.3Å; Y79-A147 CarbonylContact O-C 3.57Å; Y79-A147 WeakPolarHBondContact O-CA 3.41Å; Y79-A147 WeakPolarHBondContact O-CB 3.12Å; Y79-G148 PolarHBondContact O-N 3.18Å
80E81.3Confident69.7Low161 Ų161101 Ų10175%0.75257%0.567SS**PPolyproline II helixtrans-72.5129.3176.4-17960.2-157.700109.5P78 R82P78-E80 PolarHBondContact O-N 2.84Å; P78-E80 VanDerWaalsContact O-N 3.08Å; E80-R82 PolarHBondContact O-N 2.84Å
81Y85.7Confident71.9Confident103 Ų103102.2 Ų102.240%0.40455%0.549SS..PPolyproline II helixtrans-68.3121.9-174.7178-108.7000111.7P83 V87 L89 A147Y81-P83 HydrophobicContact CE1-CG 4.22Å; Y81-V87 WeakPolarHBondContact CE2-O 3.49Å; Y81-L89 HydrophobicContact CD1-CD1 3.79Å; Y81-L89 HydrophobicContact CD2-CD1 3.3Å; Y81-L89 HydrophobicContact CD2-CG 4.04Å; Y81-L89 HydrophobicContact CE1-CD1 3.86Å; Y81-L89 HydrophobicContact CE2-CD1 3.4Å; Y81-L89 HydrophobicContact CG-CD1 3.48Å; Y81-L89 VanDerWaalsContact CG-CD1 3.48Å; Y81-L89 HydrophobicContact CG-CG 4.07Å; Y81-A147 HydrophobicContact CD2-CB 4.12Å
82R86.7Confident74.6Confident175 Ų175104.1 Ų104.166%0.6655%0.545SS*.  trans-117.7120.9173.3-71.6-173.4178.5-169.91.3110.1E80 P84 S85E80-R82 PolarHBondContact O-N 2.84Å; R82-P84 VanDerWaalsContact C-N 3.34Å; R82-S85 VanDerWaalsContact O-CB 3.27Å; R82-S85 WeakPolarHBondContact O-CB 3.45Å; R82-S85 PolarHBondContact O-N 3.21Å; R82-S85 PolarHBondContact O-OG 3.46Å
83P85.8Confident76.9Confident103 Ų10399.1 Ų99.167%0.66950%0.502SS*.THydrogen-bonded Turntrans-52.9-35.7179.2-26.333.6000116.7Y81 S85Y81-P83 HydrophobicContact CE1-CG 4.22Å; P83-S85 VanDerWaalsContact C-N 3.27Å; P83-S85 PolarHBondContact O-N 2.96Å
84P88.4Confident79.8Confident126 Ų12695.7 Ų95.782%0.81849%0.491SS*.THydrogen-bonded Turntrans-80.6-4.917631.2-35.8000113.9R82R82-P84 VanDerWaalsContact C-N 3.34Å
85S85.8Confident82.1Confident40 Ų4095.1 Ų95.128%0.2848%0.483SS..SBendtrans-82.7153.1177.978.90000111.1R82 P83 V87R82-S85 VanDerWaalsContact O-CB 3.27Å; R82-S85 WeakPolarHBondContact O-CB 3.45Å; R82-S85 PolarHBondContact O-N 3.21Å; R82-S85 PolarHBondContact O-OG 3.46Å; P83-S85 VanDerWaalsContact C-N 3.27Å; P83-S85 PolarHBondContact O-N 2.96Å; S85-V87 PolarHBondContact O-N 3.12Å
86P88.4Confident84.8Confident130 Ų13097.8 Ų97.884%0.84449%0.493SS*.SBendtrans-73.6-7.5175.131.3-36000113.5
87V90.9Very high86.9Confident29 Ų2996.3 Ų96.318%0.17648%0.478CS..PPolyproline II helixtrans-81.9124.4-174.1-176.40000110.3Y81 S85 A147Y81-V87 WeakPolarHBondContact CE2-O 3.49Å; S85-V87 PolarHBondContact O-N 3.12Å; V87-A147 HydrophobicContact CG1-CB 3.88Å
88V92.8Very high88.8Confident76 Ų7690.7 Ų90.746%0.46145%0.452SS..PPolyproline II helixtrans-89.2159.9175.7-610000111.2L93 C146 A147V88-L93 HydrophobicContact CG2-CD1 3.6Å; V88-C146 CarbonylContact O-C 3.44Å; V88-C146 WeakPolarHBondContact O-CA 3.13Å; V88-A147 PolarHBondContact O-N 2.92Å
89L93.7Very high90.4Very high32 Ų3294.2 Ų94.217%0.16846%0.456CS..BIsolated β-bridgetrans-69.3140.1175-70.981.6000110.9Y81 R91 Y92 A147Y81-L89 HydrophobicContact CD1-CD1 3.79Å; Y81-L89 HydrophobicContact CD2-CD1 3.3Å; Y81-L89 HydrophobicContact CD2-CG 4.04Å; Y81-L89 HydrophobicContact CE1-CD1 3.86Å; Y81-L89 HydrophobicContact CE2-CD1 3.4Å; Y81-L89 HydrophobicContact CG-CD1 3.48Å; Y81-L89 VanDerWaalsContact CG-CD1 3.48Å; Y81-L89 HydrophobicContact CG-CG 4.07Å; L89-R91 HydrophobicContact CB-CG 4.03Å; L89-R91 HydrophobicContact CD2-CG 4.34Å; L89-R91 PolarHBondContact O-N 3.15Å; L89-Y92 HydrophobicContact CB-CD2 3.82Å; L89-Y92 HydrophobicContact CB-CE2 4.35Å; L89-Y92 HydrophobicContact CD1-CD2 4.14Å; L89-Y92 HydrophobicContact CD1-CE2 4.23Å; L89-Y92 HydrophobicContact CD2-CD2 4.49Å; L89-Y92 HydrophobicContact CD2-CE2 4.2Å; L89-Y92 HydrophobicContact CG-CD2 4.39Å; L89-Y92 PolarHBondContact O-N 2.9Å; L89-A147 CarbonylContact C-O 3.47Å; L89-A147 VanDerWaalsContact CA-O 3.3Å; L89-A147 WeakPolarHBondContact CA-O 3.39Å
90C94.4Very high91.7Very high1 Ų190.1 Ų90.11%0.00745%0.446CS..G310 helixtrans-54.2-39.4177.9-59.20000112.3Y92 L93 C146 A147 P149 F152C90-Y92 PolarHBondContact O-N 3.35Å; C90-Y92 VanDerWaalsContact O-N 3.07Å; C90-L93 WeakPolarHBondContact O-CB 3.33Å; C90-L93 PolarHBondContact O-N 3Å; C90-L93 VanDerWaalsContact O-N 3.1Å; C90-C146 VanDerWaalsContact CA-SG 3.52Å; C90-C146 HydrophobicContact CB-CB 3.9Å; C90-C146 WeakPolarHBondContact CB-SG 3.43Å; C90-C146 WeakPolarHBondContact SG-CB 3.44Å; C90-C146 CovalentContact SG-SG 2.04Å; C90-C146 PolarHBondContact SG-SG 3.05Å; C90-A147 PolarHBondContact N-O 3.47Å; C90-A147 PolarHBondContact SG-O 3.06Å; C90-P149 VanDerWaalsContact CB-O 3.26Å; C90-P149 WeakPolarHBondContact CB-O 3.47Å; C90-F152 HydrophobicContact CB-CD1 4.09Å; C90-F152 HydrophobicContact CB-CE1 3.97Å; C90-F152 WeakPolarHBondContact O-CE1 3.49Å; C90-F152 WeakPolarHBondContact O-CZ 3.38Å
91R93.8Very high92.4Very high132 Ų13286.9 Ų86.950%0.49843%0.431SS..G310 helixtrans-60.8-20177.670.1176173.4-174.7-6.6115.4L89 F152 R154L89-R91 HydrophobicContact CB-CG 4.03Å; L89-R91 HydrophobicContact CD2-CG 4.34Å; L89-R91 PolarHBondContact O-N 3.15Å; R91-F152 HydrophobicContact CB-CB 4.49Å; R91-F152 HydrophobicContact CB-CD2 4.27Å; R91-F152 HydrophobicContact CB-CG 4.27Å; R91-R154 PolarHBondContact O-NH1 3.37Å
92Y93.8Very high92.8Very high140 Ų14088.6 Ų88.655%0.54945%0.447SS..G310 helixtrans-104.43.8-178.5-62.2-48.2000113L89 C90L89-Y92 HydrophobicContact CB-CD2 3.82Å; L89-Y92 HydrophobicContact CB-CE2 4.35Å; L89-Y92 HydrophobicContact CD1-CD2 4.14Å; L89-Y92 HydrophobicContact CD1-CE2 4.23Å; L89-Y92 HydrophobicContact CD2-CD2 4.49Å; L89-Y92 HydrophobicContact CD2-CE2 4.2Å; L89-Y92 HydrophobicContact CG-CD2 4.39Å; L89-Y92 PolarHBondContact O-N 2.9Å; C90-Y92 PolarHBondContact O-N 3.35Å; C90-Y92 VanDerWaalsContact O-N 3.07Å
93L95.3Very high93.2Very high3 Ų381.2 Ų81.22%0.01642%0.422CS..  trans-57139.2173.2-113.456.6000110.4V88 C90 F97 I98 A140 I144 C146V88-L93 HydrophobicContact CG2-CD1 3.6Å; C90-L93 WeakPolarHBondContact O-CB 3.33Å; C90-L93 PolarHBondContact O-N 3Å; C90-L93 VanDerWaalsContact O-N 3.1Å; L93-F97 HydrophobicContact CB-CB 4.41Å; L93-F97 HydrophobicContact CD2-CB 3.7Å; L93-F97 WeakPolarHBondContact CD2-O 3.44Å; L93-F97 HydrophobicContact CG-CB 3.81Å; L93-I98 HydrophobicContact CB-CG2 3.48Å; L93-I98 VanDerWaalsContact CB-CG2 3.48Å; L93-I98 HydrophobicContact CD2-CG2 3.74Å; L93-I98 HydrophobicContact CG-CG2 4.23Å; L93-A140 HydrophobicContact CD2-CB 3.94Å; L93-I144 HydrophobicContact CD1-CG2 4.32Å; L93-I144 HydrophobicContact CD2-CB 4.38Å; L93-I144 HydrophobicContact CD2-CG2 3.76Å; L93-I144 HydrophobicContact CG-CG2 4.32Å; L93-C146 HydrophobicContact CD1-CB 3.82Å
94P95.2Very high93.6Very high56 Ų5679.3 Ų79.336%0.36441%0.408SS..  trans-57.3158.9166.8-24.530.9000113.3E96 F97P94-E96 HydrophobicContact CB-CG 4.08Å; P94-E96 VanDerWaalsContact CB-OE2 3.22Å; P94-E96 WeakPolarHBondContact CB-OE2 3.4Å; P94-E96 PolarHBondContact O-N 3.05Å; P94-F97 HydrophobicContact CB-CD2 3.9Å; P94-F97 HydrophobicContact CB-CE2 4.29Å; P94-F97 HydrophobicContact CG-CD2 3.85Å; P94-F97 HydrophobicContact CG-CE2 4.08Å; P94-F97 PolarHBondContact O-N 3.35Å; P94-F97 VanDerWaalsContact O-N 3.08Å
95E93.9Very high93.9Very high153 Ų15377.4 Ų77.472%0.71539%0.391SS*.G310 helixtrans-60.8-28.7-178.7-70.1174.8-166.400112.8F97E95-F97 PolarHBondContact O-N 3.39Å
96E95.1Very high94.3Very high142 Ų14276.2 Ų76.266%0.66438%0.381SS*.G310 helixtrans-69.3-14.2176.863.3-118.4-122.400114.7P94P94-E96 HydrophobicContact CB-CG 4.08Å; P94-E96 VanDerWaalsContact CB-OE2 3.22Å; P94-E96 WeakPolarHBondContact CB-OE2 3.4Å; P94-E96 PolarHBondContact O-N 3.05Å
97F96Very high94.5Very high77 Ų7774.3 Ų74.334%0.33838%0.376SS..G310 helixtrans-112.96.6-176.1-59.7-59.5000113.5L93 P94 E95 L141 I144L93-F97 HydrophobicContact CB-CB 4.41Å; L93-F97 HydrophobicContact CD2-CB 3.7Å; L93-F97 WeakPolarHBondContact CD2-O 3.44Å; L93-F97 HydrophobicContact CG-CB 3.81Å; P94-F97 HydrophobicContact CB-CD2 3.9Å; P94-F97 HydrophobicContact CB-CE2 4.29Å; P94-F97 HydrophobicContact CG-CD2 3.85Å; P94-F97 HydrophobicContact CG-CE2 4.08Å; P94-F97 PolarHBondContact O-N 3.35Å; P94-F97 VanDerWaalsContact O-N 3.08Å; E95-F97 PolarHBondContact O-N 3.39Å; F97-L141 WeakPolarHBondContact O-CD1 3.27Å; F97-L141 PolarHBondContact O-N 3.18Å; F97-I144 HydrophobicContact CB-CG1 4.18Å; F97-I144 HydrophobicContact CD1-CD1 3.55Å; F97-I144 HydrophobicContact CD1-CG1 3.99Å; F97-I144 HydrophobicContact CE1-CD1 4.07Å; F97-I144 HydrophobicContact CG-CD1 4.32Å; F97-I144 HydrophobicContact CG-CG1 4.42Å
98I96.3Very high94.5Very high15 Ų1574.9 Ų74.98%0.07739%0.388CS..EExtended strand (participates in β ladder)trans-131.9149.4-177.365178.1000109.8L93 C138 T139 F152L93-I98 HydrophobicContact CB-CG2 3.48Å; L93-I98 VanDerWaalsContact CB-CG2 3.48Å; L93-I98 HydrophobicContact CD2-CG2 3.74Å; L93-I98 HydrophobicContact CG-CG2 4.23Å; I98-C138 HydrophobicContact CD1-CB 4.3Å; I98-T139 CarbonylContact C-O 3.26Å; I98-T139 WeakPolarHBondContact CA-O 3.48Å; I98-F152 HydrophobicContact CB-CZ 4.38Å; I98-F152 HydrophobicContact CD1-CE2 4.4Å; I98-F152 HydrophobicContact CD1-CZ 4.35Å; I98-F152 HydrophobicContact CG2-CE1 4.47Å; I98-F152 HydrophobicContact CG2-CZ 3.76Å
99Y96.5Very high94.6Very high154 Ų15475.3 Ų75.360%0.60439%0.387SS*.EExtended strand (participates in β ladder)trans-108.3114.5169.4177.4-103.2000108.8C138 T139Y99-C138 CarbonylContact O-C 3.53Å; Y99-C138 VanDerWaalsContact O-CA 3.31Å; Y99-C138 WeakPolarHBondContact O-CA 3.5Å; Y99-T139 PolarHBondContact N-O 3.34Å; Y99-T139 PolarHBondContact O-N 3.12Å
100C96.1Very high94.6Very high45 Ų4582 Ų8230%0.30441%0.412SS..EExtended strand (participates in β ladder)trans-102.8139176.6-62.60000110.6V136 C138C100-V136 HydrophobicContact CB-CG2 3.94Å; C100-C138 HydrophobicContact CB-CB 4.07Å; C100-C138 WeakPolarHBondContact CB-SG 3.19Å; C100-C138 WeakPolarHBondContact SG-CB 3.21Å; C100-C138 CovalentContact SG-SG 2.03Å; C100-C138 PolarHBondContact SG-SG 3.45Å
101Q95.4Very high94.6Very high92 Ų9285.6 Ų85.643%0.4344%0.437SS..PPolyproline II helixtrans-71.4148.9171.4-64175.913.600110.2V136 M137Q101-V136 WeakPolarHBondContact O-CB 3.34Å; Q101-M137 PolarHBondContact N-O 2.93Å
102D94.6Very high94.6Very high139 Ų13980.4 Ų80.474%0.74342%0.422SS*.PPolyproline II helixtrans-62.2148.5172.5-67.3-62.9000111.1V104D102-V104 PolarHBondContact O-N 3.32Å
103P95.1Very high94.5Very high21 Ų2176.8 Ų76.814%0.13641%0.41CS..PPolyproline II helixtrans-57132.4174.6-23.332.5000112.4D105 C120 W123 T134 V136 V157P103-D105 PolarHBondContact O-N 3.11Å; P103-C120 VanDerWaalsContact CB-SG 3.58Å; P103-W123 HydrophobicContact CB-CH2 3.85Å; P103-W123 HydrophobicContact CB-CZ3 4.48Å; P103-W123 HydrophobicContact CG-CH2 4.36Å; P103-T134 HydrophobicContact CB-CG2 3.85Å; P103-T134 HydrophobicContact CG-CG2 4.19Å; P103-V136 HydrophobicContact CB-CG1 4.32Å; P103-V136 HydrophobicContact CG-CG1 3.88Å; P103-V157 HydrophobicContact CG-CG1 3.92Å
104V94.3Very high94.4Very high63 Ų6384 Ų8438%0.38244%0.444SS..PPolyproline II helixtrans-64.5128.7175.3179.40000109.9D102 G119 C120D102-V104 PolarHBondContact O-N 3.32Å; V104-G119 CarbonylContact O-C 3.54Å; V104-G119 VanDerWaalsContact O-CA 3.24Å; V104-G119 WeakPolarHBondContact O-CA 3.42Å; V104-C120 PolarHBondContact O-N 3.29Å
105D93.6Very high94.4Very high85 Ų8589.2 Ų89.246%0.45546%0.463SS..BIsolated β-bridgetrans-83.7114.8174.9-170.61.7000110.8P103 A107 W123P103-D105 PolarHBondContact O-N 3.11Å; D105-A107 VanDerWaalsContact C-N 3.34Å; D105-A107 WeakPolarHBondContact OD1-CA 3.43Å; D105-A107 PolarHBondContact OD1-N 3.48Å; D105-W123 HydrophobicContact CB-CZ2 3.82Å; D105-W123 PolarHBondContact OD1-NE1 2.91Å; D105-W123 PolarHBondContact OD2-NE1 3.2Å
106H94.6Very high94.1Very high16 Ų1686.1 Ų86.17%0.07445%0.451CS..  trans-88.2-1.8175.2-65.4-63.5000113.2G108 N109 A112 H113 H118 C120H106-G108 VanDerWaalsContact C-N 3.25Å; H106-G108 PolarHBondContact O-N 3.15Å; H106-G108 VanDerWaalsContact O-N 3.14Å; H106-N109 WeakPolarHBondContact O-CB 3.4Å; H106-N109 PolarHBondContact O-N 3.21Å; H106-A112 WeakPolarHBondContact ND1-CB 3.42Å; H106-H113 AromaticContact CD2-CD2 3.97Å; H106-H118 PolarHBondContact NE2-O 3.38Å; H106-C120 WeakPolarHBondContact CB-O 3.38Å; H106-C120 PolarHBondContact N-O 3.33Å
107A92.4Very high93.9Very high89 Ų8986.4 Ų86.474%0.73645%0.452SS*.THydrogen-bonded Turntrans49.641.2176.400000114.1D105 N109D105-A107 VanDerWaalsContact C-N 3.34Å; D105-A107 WeakPolarHBondContact OD1-CA 3.43Å; D105-A107 PolarHBondContact OD1-N 3.48Å; A107-N109 VanDerWaalsContact C-N 3.34Å
108G91.1Very high93.7Very high41 Ų4186 Ų8642%0.42345%0.451SS..THydrogen-bonded Turntrans83.51.5-178.100000115.3H106 Y110 V121H106-G108 VanDerWaalsContact C-N 3.25Å; H106-G108 PolarHBondContact O-N 3.15Å; H106-G108 VanDerWaalsContact O-N 3.14Å; G108-Y110 WeakPolarHBondContact O-CD2 3.48Å; G108-Y110 PolarHBondContact O-N 2.99Å; G108-V121 VanDerWaalsContact CA-O 3.29Å; G108-V121 WeakPolarHBondContact CA-O 3.33Å; G108-V121 PolarHBondContact N-O 3.12Å
109N95.2Very high93.6Very high85 Ų8585.3 Ų85.346%0.45545%0.448SS..  trans-85.895.6179.9-165.6-17.4000112.1H106 A107 S111 A112 H113H106-N109 WeakPolarHBondContact O-CB 3.4Å; H106-N109 PolarHBondContact O-N 3.21Å; A107-N109 VanDerWaalsContact C-N 3.34Å; N109-S111 VanDerWaalsContact C-N 3.28Å; N109-S111 PolarHBondContact O-N 2.99Å; N109-S111 WeakPolarHBondContact OD1-CB 3.4Å; N109-S111 PolarHBondContact OD1-N 2.74Å; N109-A112 HydrophobicContact CB-CB 4.35Å; N109-A112 PolarHBondContact O-N 2.81Å; N109-H113 PolarHBondContact O-N 3.46Å
110Y93.7Very high93.5Very high173 Ų17378 Ų7868%0.67842%0.42SS*.Hα-helixtrans-63.3-29.7178.6-67.9-89000113.8G108 H113 Q114 V121G108-Y110 WeakPolarHBondContact O-CD2 3.48Å; G108-Y110 PolarHBondContact O-N 2.99Å; Y110-H113 PolarHBondContact O-N 2.67Å; Y110-Q114 PolarHBondContact O-N 2.55Å; Y110-V121 HydrophobicContact CD1-CB 4.45Å; Y110-V121 HydrophobicContact CD1-CG1 3.83Å; Y110-V121 HydrophobicContact CD1-CG2 4.14Å; Y110-V121 HydrophobicContact CD2-CG1 4Å; Y110-V121 HydrophobicContact CE1-CB 4.3Å; Y110-V121 HydrophobicContact CE1-CG1 3.66Å; Y110-V121 HydrophobicContact CE1-CG2 4.44Å; Y110-V121 HydrophobicContact CE2-CG1 3.82Å; Y110-V121 HydrophobicContact CG-CG1 3.99Å
111S95.1Very high93.4Very high76 Ų7676.8 Ų76.853%0.53141%0.411SS..Hα-helixtrans-66.6-43.6-180-59.20000111.5N109 H113 Q114 E115N109-S111 VanDerWaalsContact C-N 3.28Å; N109-S111 PolarHBondContact O-N 2.99Å; N109-S111 WeakPolarHBondContact OD1-CB 3.4Å; N109-S111 PolarHBondContact OD1-N 2.74Å; S111-H113 VanDerWaalsContact C-N 3.32Å; S111-H113 PolarHBondContact O-N 3.16Å; S111-Q114 PolarHBondContact O-N 3.31Å; S111-Q114 VanDerWaalsContact O-N 3.14Å; S111-E115 PolarHBondContact O-N 3.41Å; S111-E115 VanDerWaalsContact O-N 3.09Å
112A92.7Very high93.2Very high23 Ų2374 Ų7419%0.1941%0.406CS..Hα-helixtrans-62.7-39.617700000112.1H106 N109 Q114 E115 L116H106-A112 WeakPolarHBondContact ND1-CB 3.42Å; N109-A112 HydrophobicContact CB-CB 4.35Å; N109-A112 PolarHBondContact O-N 2.81Å; A112-Q114 VanDerWaalsContact C-N 3.33Å; A112-Q114 PolarHBondContact O-N 3.43Å; A112-E115 PolarHBondContact O-N 3.34Å; A112-L116 PolarHBondContact O-N 3.27Å; A112-L116 VanDerWaalsContact O-N 3.08Å
113H93.4Very high93.1Very high64 Ų6470.6 Ų70.630%0.29638%0.383SS..Hα-helixtrans-64.4-36.6174.2177.8-90.8000112.6H106 N109 Y110 S111 E117 G119 V121H106-H113 AromaticContact CD2-CD2 3.97Å; N109-H113 PolarHBondContact O-N 3.46Å; Y110-H113 PolarHBondContact O-N 2.67Å; S111-H113 VanDerWaalsContact C-N 3.32Å; S111-H113 PolarHBondContact O-N 3.16Å; H113-E117 WeakPolarHBondContact O-CA 3.42Å; H113-E117 PolarHBondContact O-N 3.07Å; H113-G119 PolarHBondContact CD2-O 3.28Å; H113-G119 VanDerWaalsContact CD2-O 3.32Å; H113-V121 HydrophobicContact CB-CG2 3.47Å; H113-V121 VanDerWaalsContact CB-CG2 3.47Å
114Q92.8Very high92.8Very high156 Ų15670.3 Ų70.373%0.72939%0.385SS*.Hα-helixtrans-69.7-32.3177.5-174.8173-200112.6Y110 S111 A112Y110-Q114 PolarHBondContact O-N 2.55Å; S111-Q114 PolarHBondContact O-N 3.31Å; S111-Q114 VanDerWaalsContact O-N 3.14Å; A112-Q114 VanDerWaalsContact C-N 3.33Å; A112-Q114 PolarHBondContact O-N 3.43Å
115E93.8Very high92.5Very high165 Ų16568.1 Ų68.177%0.77137%0.374SS*.Hα-helixtrans-76-40.1177.7-69.9-179.8165.900112.7S111 A112S111-E115 PolarHBondContact O-N 3.41Å; S111-E115 VanDerWaalsContact O-N 3.09Å; A112-E115 PolarHBondContact O-N 3.34Å
116L89.4Confident91.9Very high87 Ų8769.6 Ų69.646%0.45538%0.379SS..Hα-helixtrans-89.3-20.8-176.6-71.6162.3000113.2A112 H118A112-L116 PolarHBondContact O-N 3.27Å; A112-L116 VanDerWaalsContact O-N 3.08Å; L116-H118 PolarHBondContact O-CD2 3.46Å; L116-H118 PolarHBondContact O-N 3.38Å
117E89.9Confident91.5Very high148 Ų14872.3 Ų72.369%0.69240%0.396SS*.SBendtrans54.617.3-175.9-59.6-167.5133.400114.8H113H113-E117 WeakPolarHBondContact O-CA 3.42Å; H113-E117 PolarHBondContact O-N 3.07Å
118H92.4Very high91.3Very high68 Ų6876.6 Ų76.632%0.31540%0.398SS..  trans-150.4162.1177.973.774.7000111.2H106 L116 K135H106-H118 PolarHBondContact NE2-O 3.38Å; L116-H118 PolarHBondContact O-CD2 3.46Å; L116-H118 PolarHBondContact O-N 3.38Å; H118-K135 HydrophobicContact CB-CB 4.24Å; H118-K135 WeakPolarHBondContact CB-O 3.39Å
119G94.1Very high91.2Very high1 Ų182.3 Ų82.31%0.0141%0.414CS..SBendtrans93.5-179.2-172.700000114.5V104 H113 T134V104-G119 CarbonylContact O-C 3.54Å; V104-G119 VanDerWaalsContact O-CA 3.24Å; V104-G119 WeakPolarHBondContact O-CA 3.42Å; H113-G119 PolarHBondContact CD2-O 3.28Å; H113-G119 VanDerWaalsContact CD2-O 3.32Å; G119-T134 WeakPolarHBondContact CA-OG1 3.38Å; G119-T134 PolarHBondContact N-OG1 3.13Å; G119-T134 WeakPolarHBondContact O-CB 2.94Å; G119-T134 PolarHBondContact O-OG1 3.32Å
120C94.4Very high91Very high1 Ų183.9 Ų83.91%0.00742%0.419CS..BIsolated β-bridgetrans-118.4126.7-171.2-64.90000110.9P103 V104 H106 W123 C159P103-C120 VanDerWaalsContact CB-SG 3.58Å; V104-C120 PolarHBondContact O-N 3.29Å; H106-C120 WeakPolarHBondContact CB-O 3.38Å; H106-C120 PolarHBondContact N-O 3.33Å; C120-W123 HydrophobicContact CB-CD2 4.27Å; C120-W123 HydrophobicContact CB-CH2 4.28Å; C120-W123 HydrophobicContact CB-CZ2 3.87Å; C120-C159 HydrophobicContact CB-CB 3.69Å; C120-C159 WeakPolarHBondContact CB-SG 3.33Å; C120-C159 WeakPolarHBondContact SG-CA 3.19Å; C120-C159 WeakPolarHBondContact SG-CB 3.11Å; C120-C159 CovalentContact SG-SG 2.03Å; C120-C159 PolarHBondContact SG-SG 2.86Å
121V93.9Very high90.9Very high19 Ų1976.5 Ų76.512%0.11539%0.392CS..SBendtrans-80-38.8173.8-178.30000111.3G108 Y110 H113G108-V121 VanDerWaalsContact CA-O 3.29Å; G108-V121 WeakPolarHBondContact CA-O 3.33Å; G108-V121 PolarHBondContact N-O 3.12Å; Y110-V121 HydrophobicContact CD1-CB 4.45Å; Y110-V121 HydrophobicContact CD1-CG1 3.83Å; Y110-V121 HydrophobicContact CD1-CG2 4.14Å; Y110-V121 HydrophobicContact CD2-CG1 4Å; Y110-V121 HydrophobicContact CE1-CB 4.3Å; Y110-V121 HydrophobicContact CE1-CG1 3.66Å; Y110-V121 HydrophobicContact CE1-CG2 4.44Å; Y110-V121 HydrophobicContact CE2-CG1 3.82Å; Y110-V121 HydrophobicContact CG-CG1 3.99Å; H113-V121 HydrophobicContact CB-CG2 3.47Å; H113-V121 VanDerWaalsContact CB-CG2 3.47Å
122G91.3Very high90.8Very high33 Ų3377.6 Ų77.634%0.3439%0.392SS..SBendtrans-134.9153.8176.200000110
123W92.4Very high90.8Very high68 Ų6880.7 Ų80.726%0.25840%0.402SS..  trans-115.6149.2-179.1-60.986000110.3P103 D105 C120 C159 K161P103-W123 HydrophobicContact CB-CH2 3.85Å; P103-W123 HydrophobicContact CB-CZ3 4.48Å; P103-W123 HydrophobicContact CG-CH2 4.36Å; D105-W123 HydrophobicContact CB-CZ2 3.82Å; D105-W123 PolarHBondContact OD1-NE1 2.91Å; D105-W123 PolarHBondContact OD2-NE1 3.2Å; C120-W123 HydrophobicContact CB-CD2 4.27Å; C120-W123 HydrophobicContact CB-CH2 4.28Å; C120-W123 HydrophobicContact CB-CZ2 3.87Å; W123-C159 WeakPolarHBondContact CA-O 3.49Å; W123-K161 HydrophobicContact CD2-CB 4.48Å; W123-K161 HydrophobicContact CE3-CB 3.96Å; W123-K161 HydrophobicContact CZ3-CB 4.48Å
124G88.8Confident90.9Very high16 Ų1678.1 Ų78.117%0.16539%0.391CS..  trans109.8-162.4174.300000113.3C159G124-C159 PolarHBondContact N-O 3.49Å
125G87.4Confident91.1Very high16 Ų1675.7 Ų75.717%0.16538%0.378CS..  trans112.7142.4-17000000111.9E130 N226G125-E130 WeakPolarHBondContact CA-OE2 3.32Å; G125-N226 PolarHBondContact O-ND2 3.01Å
126Q82.1Confident91.1Very high117 Ų11768.2 Ų68.255%0.54734%0.343SS..SBendtrans-99.4-32.6176.8-69.5-169.8-8.100112.3E130 G217 M220Q126-E130 PolarHBondContact N-OE2 3.25Å; Q126-G217 PolarHBondContact NE2-O 3.28Å; Q126-M220 HydrophobicContact CG-SD 4.45Å
127T86.3Confident91.4Very high73 Ų7368 Ų6845%0.44834%0.341SS..SBendtrans-108.8159.1179.879.40000111E129 E130 V131T127-E129 WeakPolarHBondContact CB-OE2 3.48Å; T127-E129 PolarHBondContact O-N 2.98Å; T127-E129 PolarHBondContact OG1-OE2 3.39Å; T127-E130 PolarHBondContact O-N 3.43Å; T127-E130 VanDerWaalsContact O-N 3.14Å; T127-V131 WeakPolarHBondContact O-CG2 3.47Å; T127-V131 PolarHBondContact O-N 2.94Å
128K87.6Confident91.7Very high178 Ų17860.9 Ų60.977%0.77431%0.308SS*.THydrogen-bonded Turntrans-61.7-27.5-177.2-68.3-171.6174.8-170.10112.8
129E89.6Confident91.9Very high162 Ų16259.5 Ų59.576%0.75730%0.304SS*.THydrogen-bonded Turntrans-79.5-25.3-178.7-51.374.4-160.500112.4T127T127-E129 WeakPolarHBondContact CB-OE2 3.48Å; T127-E129 PolarHBondContact O-N 2.98Å; T127-E129 PolarHBondContact OG1-OE2 3.39Å
130E89.1Confident92.1Very high118 Ų11859.6 Ų59.655%0.55130%0.304SS*.THydrogen-bonded Turntrans-85.2-30.9177.7-171.4-175.4-174.800111.8G125 Q126 T127 N132G125-E130 WeakPolarHBondContact CA-OE2 3.32Å; Q126-E130 PolarHBondContact N-OE2 3.25Å; T127-E130 PolarHBondContact O-N 3.43Å; T127-E130 VanDerWaalsContact O-N 3.14Å; E130-N132 PolarHBondContact O-N 3Å
131V92.2Very high92.1Very high18 Ų1863.2 Ų63.211%0.10932%0.323CS..SBendtrans-72.1119-179175.90000110T127 H133 P158 I160T127-V131 WeakPolarHBondContact O-CG2 3.47Å; T127-V131 PolarHBondContact O-N 2.94Å; V131-H133 PolarHBondContact O-CE1 3.04Å; V131-H133 PolarHBondContact O-ND1 3.19Å; V131-P158 HydrophobicContact CG1-CB 3.61Å; V131-I160 HydrophobicContact CG1-CG2 3.8Å; V131-I160 HydrophobicContact CG2-CG2 4.08Å
132N92.8Very high92Very high99 Ų9969.1 Ų69.153%0.52936%0.355SS..  trans-67.5145.6170.5-73.2-42.7000110.3E130 C159E130-N132 PolarHBondContact O-N 3Å; N132-C159 HydrophobicContact CB-CB 4.14Å; N132-C159 VanDerWaalsContact O-CB 3.27Å; N132-C159 WeakPolarHBondContact O-CB 3.32Å; N132-C159 PolarHBondContact O-N 2.84Å; N132-C159 PolarHBondContact O-SG 3.48Å
133H94.1Very high92Very high87 Ų8775.3 Ų75.340%0.40338%0.38SS..EExtended strand (participates in β ladder)trans-118.3147.5177.3-65.869000109.9V131 D156 V157V131-H133 PolarHBondContact O-CE1 3.04Å; V131-H133 PolarHBondContact O-ND1 3.19Å; H133-D156 IonicContact CD2-OD1 3.18Å; H133-D156 PolarHBondContact CD2-OD1 3.34Å; H133-D156 IonicContact CG-OD1 3.69Å; H133-D156 IonicContact NE2-OD1 3.94Å; H133-V157 CarbonylContact C-O 3.53Å; H133-V157 VanDerWaalsContact CA-O 3.3Å; H133-V157 WeakPolarHBondContact CA-O 3.26Å
134T95.4Very high91.9Very high10 Ų1074.2 Ų74.26%0.06138%0.379CS..EExtended strand (participates in β ladder)trans-138.8175.1-177.7-162.10000112.3P103 G119 V136 D156 V157P103-T134 HydrophobicContact CB-CG2 3.85Å; P103-T134 HydrophobicContact CG-CG2 4.19Å; G119-T134 WeakPolarHBondContact CA-OG1 3.38Å; G119-T134 PolarHBondContact N-OG1 3.13Å; G119-T134 WeakPolarHBondContact O-CB 2.94Å; G119-T134 PolarHBondContact O-OG1 3.32Å; T134-V136 HydrophobicContact CG2-CG1 4.48Å; T134-D156 PolarHBondContact O-N 3.31Å; T134-V157 PolarHBondContact N-O 2.93Å; T134-V157 PolarHBondContact O-N 2.93Å
135K95.2Very high92Very high106 Ų10680 Ų8046%0.46140%0.401SS..EExtended strand (participates in β ladder)trans-98.1145.8172.2-62.8172.1-173.2168.50109.4H118 R154H118-K135 HydrophobicContact CB-CB 4.24Å; H118-K135 WeakPolarHBondContact CB-O 3.39Å; K135-R154 CarbonylContact C-O 3.53Å; K135-R154 VanDerWaalsContact CA-O 3.23Å; K135-R154 WeakPolarHBondContact CA-O 3.38Å
136V95.6Very high92.3Very high8 Ų879.4 Ų79.45%0.04839%0.394CS..EExtended strand (participates in β ladder)trans-129156.9172.6-59.50000110.1C100 Q101 P103 T134 T153 R154 V157C100-V136 HydrophobicContact CB-CG2 3.94Å; Q101-V136 WeakPolarHBondContact O-CB 3.34Å; P103-V136 HydrophobicContact CB-CG1 4.32Å; P103-V136 HydrophobicContact CG-CG1 3.88Å; T134-V136 HydrophobicContact CG2-CG1 4.48Å; V136-T153 CarbonylContact O-C 3.58Å; V136-T153 WeakPolarHBondContact O-CA 3.3Å; V136-R154 HydrophobicContact CG2-CB 4.31Å; V136-R154 PolarHBondContact N-O 3.41Å; V136-R154 PolarHBondContact O-N 3.48Å; V136-V157 HydrophobicContact CB-CG2 4.49Å; V136-V157 HydrophobicContact CG1-CB 4.12Å; V136-V157 HydrophobicContact CG1-CG1 4.11Å; V136-V157 HydrophobicContact CG1-CG2 4.12Å; V136-V157 HydrophobicContact CG2-CG2 3.64Å
137M95.3Very high92.8Very high81 Ų8174 Ų7440%0.39937%0.369SS..EExtended strand (participates in β ladder)trans-87.2126.2174.9-169.1156.467.100109.4Q101Q101-M137 PolarHBondContact N-O 2.93Å
138C96.6Very high93.1Very high0 Ų071.5 Ų71.50%036%0.358CS..EExtended strand (participates in β ladder)trans-122.4148.3-179.4-55.90000110.8I98 Y99 C100 E151 F152 R154I98-C138 HydrophobicContact CD1-CB 4.3Å; Y99-C138 CarbonylContact O-C 3.53Å; Y99-C138 VanDerWaalsContact O-CA 3.31Å; Y99-C138 WeakPolarHBondContact O-CA 3.5Å; C100-C138 HydrophobicContact CB-CB 4.07Å; C100-C138 WeakPolarHBondContact CB-SG 3.19Å; C100-C138 WeakPolarHBondContact SG-CB 3.21Å; C100-C138 CovalentContact SG-SG 2.03Å; C100-C138 PolarHBondContact SG-SG 3.45Å; C138-E151 WeakPolarHBondContact O-CA 3.49Å; C138-F152 HydrophobicContact CB-CD2 4.24Å; C138-F152 HydrophobicContact CB-CE2 3.79Å; C138-F152 HydrophobicContact CB-CZ 4.08Å; C138-F152 PolarHBondContact N-O 3.09Å; C138-F152 PolarHBondContact O-N 3.06Å; C138-R154 WeakPolarHBondContact SG-CB 3.41Å
139T96.8Very high93.4Very high39 Ų3967.6 Ų67.624%0.23935%0.351CS..EExtended strand (participates in β ladder)trans-125.9135.1178.6-49.40000109.4I98 Y99 R150 E151I98-T139 CarbonylContact C-O 3.26Å; I98-T139 WeakPolarHBondContact CA-O 3.48Å; Y99-T139 PolarHBondContact N-O 3.34Å; Y99-T139 PolarHBondContact O-N 3.12Å; T139-R150 CarbonylContact C-O 3.59Å; T139-R150 VanDerWaalsContact CA-O 3.32Å; T139-R150 WeakPolarHBondContact CA-O 3.3Å; T139-E151 HydrophobicContact CG2-CG 4.14Å
140A96.6Very high93.6Very high2 Ų262.4 Ų62.42%0.01733%0.325CS..EExtended strand (participates in β ladder)trans-67.4140.5173.300000111.5L93 R150L93-A140 HydrophobicContact CD2-CB 3.94Å; A140-R150 PolarHBondContact N-O 3.48Å; A140-R150 PolarHBondContact O-NH2 3Å
141L95.9Very high93.9Very high77 Ų7762.8 Ų62.840%0.40333%0.327SS..  trans-61.4141.2175.1-95.468.7000111.2F97 D143 I144 R150F97-L141 WeakPolarHBondContact O-CD1 3.27Å; F97-L141 PolarHBondContact O-N 3.18Å; L141-D143 VanDerWaalsContact C-N 3.27Å; L141-D143 PolarHBondContact O-N 3.3Å; L141-I144 HydrophobicContact CB-CG1 4.03Å; L141-I144 PolarHBondContact O-N 2.87Å; L141-R150 PolarHBondContact O-NH2 3.46Å
142D91.8Very high94Very high144 Ų14462.9 Ų62.977%0.7733%0.325SS*.THydrogen-bonded Turntrans-55.7-37.4-171.1-65.3-38.7000113.7I144D142-I144 VanDerWaalsContact C-N 3.27Å; D142-I144 PolarHBondContact O-N 3.2Å
143D90.7Very high94.1Very high162 Ų16263 Ų6387%0.86633%0.33SS*.THydrogen-bonded Turntrans-83.87.6-178.8-63.9-40.8000114.4L141L141-D143 VanDerWaalsContact C-N 3.27Å; L141-D143 PolarHBondContact O-N 3.3Å
144I91.1Very high94.1Very high46 Ų4662.5 Ų62.524%0.23633%0.325CS..  trans-107.2121.6178.7-52.8-64.9000111L93 F97 L141 D142 R150L93-I144 HydrophobicContact CD1-CG2 4.32Å; L93-I144 HydrophobicContact CD2-CB 4.38Å; L93-I144 HydrophobicContact CD2-CG2 3.76Å; L93-I144 HydrophobicContact CG-CG2 4.32Å; F97-I144 HydrophobicContact CB-CG1 4.18Å; F97-I144 HydrophobicContact CD1-CD1 3.55Å; F97-I144 HydrophobicContact CD1-CG1 3.99Å; F97-I144 HydrophobicContact CE1-CD1 4.07Å; F97-I144 HydrophobicContact CG-CD1 4.32Å; F97-I144 HydrophobicContact CG-CG1 4.42Å; L141-I144 HydrophobicContact CB-CG1 4.03Å; L141-I144 PolarHBondContact O-N 2.87Å; D142-I144 VanDerWaalsContact C-N 3.27Å; D142-I144 PolarHBondContact O-N 3.2Å; I144-R150 PolarHBondContact O-NH1 3.41Å
145E90.9Very high94Very high138 Ų13863.9 Ų63.965%0.64534%0.341SS*.  trans-80.1114.8174.6-64.4179.6177.500110.4
146C92.9Very high93.8Very high3 Ų365 Ų652%0.0235%0.352CS..  trans-142.3155.817866.80000111.4V88 C90 L93V88-C146 CarbonylContact O-C 3.44Å; V88-C146 WeakPolarHBondContact O-CA 3.13Å; C90-C146 VanDerWaalsContact CA-SG 3.52Å; C90-C146 HydrophobicContact CB-CB 3.9Å; C90-C146 WeakPolarHBondContact CB-SG 3.43Å; C90-C146 WeakPolarHBondContact SG-CB 3.44Å; C90-C146 CovalentContact SG-SG 2.04Å; C90-C146 PolarHBondContact SG-SG 3.05Å; L93-C146 HydrophobicContact CD1-CB 3.82Å
147A93.3Very high93.7Very high2 Ų266.4 Ų66.42%0.01736%0.36CS..BIsolated β-bridgetrans-93.7139.7-177.600000112.9Y79 Y81 V87 V88 L89 C90Y79-A147 CarbonylContact O-C 3.57Å; Y79-A147 WeakPolarHBondContact O-CA 3.41Å; Y79-A147 WeakPolarHBondContact O-CB 3.12Å; Y81-A147 HydrophobicContact CD2-CB 4.12Å; V87-A147 HydrophobicContact CG1-CB 3.88Å; V88-A147 PolarHBondContact O-N 2.92Å; L89-A147 CarbonylContact C-O 3.47Å; L89-A147 VanDerWaalsContact CA-O 3.3Å; L89-A147 WeakPolarHBondContact CA-O 3.39Å; C90-A147 PolarHBondContact N-O 3.47Å; C90-A147 PolarHBondContact SG-O 3.06Å
148G91.8Very high93.7Very high21 Ų2164.7 Ų64.722%0.21636%0.355CS..SBendtrans90-162.2-179.500000114.7Y79 R150Y79-G148 PolarHBondContact O-N 3.18Å; G148-R150 PolarHBondContact O-N 3.47Å
149P94.3Very high93.6Very high96 Ų9664.8 Ų64.862%0.62336%0.356SS*.  trans-67.6131.7-17828.5-34.4000110.8C90 E151C90-P149 VanDerWaalsContact CB-O 3.26Å; C90-P149 WeakPolarHBondContact CB-O 3.47Å; P149-E151 VanDerWaalsContact C-N 3.29Å
150R93.2Very high93.4Very high53 Ų5365 Ų6520%0.236%0.355CS..SBendtrans-72.5-24.6179.2-64.4-175.364.378.43.7112.8T76 T139 A140 L141 I144 G148T76-R150 HydrophobicContact CG2-CG 4.45Å; T139-R150 CarbonylContact C-O 3.59Å; T139-R150 VanDerWaalsContact CA-O 3.32Å; T139-R150 WeakPolarHBondContact CA-O 3.3Å; A140-R150 PolarHBondContact N-O 3.48Å; A140-R150 PolarHBondContact O-NH2 3Å; L141-R150 PolarHBondContact O-NH2 3.46Å; I144-R150 PolarHBondContact O-NH1 3.41Å; G148-R150 PolarHBondContact O-N 3.47Å
151E95.1Very high93.2Very high127 Ų12769.4 Ų69.459%0.59337%0.374SS*.EExtended strand (participates in β ladder)trans-99.3127.9170.6-64.1-175.9169.700109.9C138 T139 P149C138-E151 WeakPolarHBondContact O-CA 3.49Å; T139-E151 HydrophobicContact CG2-CG 4.14Å; P149-E151 VanDerWaalsContact C-N 3.29Å
152F94.9Very high93Very high19 Ų1970 Ų708%0.08337%0.371CS..EExtended strand (participates in β ladder)trans-151.9160.2-178.654.5-90.7000111.1C90 R91 I98 C138C90-F152 HydrophobicContact CB-CD1 4.09Å; C90-F152 HydrophobicContact CB-CE1 3.97Å; C90-F152 WeakPolarHBondContact O-CE1 3.49Å; C90-F152 WeakPolarHBondContact O-CZ 3.38Å; R91-F152 HydrophobicContact CB-CB 4.49Å; R91-F152 HydrophobicContact CB-CD2 4.27Å; R91-F152 HydrophobicContact CB-CG 4.27Å; I98-F152 HydrophobicContact CB-CZ 4.38Å; I98-F152 HydrophobicContact CD1-CE2 4.4Å; I98-F152 HydrophobicContact CD1-CZ 4.35Å; I98-F152 HydrophobicContact CG2-CE1 4.47Å; I98-F152 HydrophobicContact CG2-CZ 3.76Å; C138-F152 HydrophobicContact CB-CD2 4.24Å; C138-F152 HydrophobicContact CB-CE2 3.79Å; C138-F152 HydrophobicContact CB-CZ 4.08Å; C138-F152 PolarHBondContact N-O 3.09Å; C138-F152 PolarHBondContact O-N 3.06Å
153T94.8Very high92.9Very high103 Ų10365.6 Ų65.663%0.63235%0.35SS*.EExtended strand (participates in β ladder)trans-90.1129176.149.30000110.7V136V136-T153 CarbonylContact O-C 3.58Å; V136-T153 WeakPolarHBondContact O-CA 3.3Å
154R94.8Very high92.9Very high76 Ų7660 Ų6029%0.28733%0.33SS..EExtended strand (participates in β ladder)trans-106125.1174-165.779173.2178.1-5.2108.3R91 K135 V136 C138R91-R154 PolarHBondContact O-NH1 3.37Å; K135-R154 CarbonylContact C-O 3.53Å; K135-R154 VanDerWaalsContact CA-O 3.23Å; K135-R154 WeakPolarHBondContact CA-O 3.38Å; V136-R154 HydrophobicContact CG2-CB 4.31Å; V136-R154 PolarHBondContact N-O 3.41Å; V136-R154 PolarHBondContact O-N 3.48Å; C138-R154 WeakPolarHBondContact SG-CB 3.41Å
155G92.4Very high92.9Very high39 Ų3959.7 Ų59.740%0.40233%0.328SS..EExtended strand (participates in β ladder)trans-89.8177.1176.100000112.6V157G155-V157 VanDerWaalsContact C-N 3.34Å; G155-V157 PolarHBondContact O-N 3.4Å
156D91.8Very high93Very high128 Ų12855.7 Ų55.768%0.68431%0.307SS*.EExtended strand (participates in β ladder)trans6730173.7-152.936000114.3H133 T134H133-D156 IonicContact CD2-OD1 3.18Å; H133-D156 PolarHBondContact CD2-OD1 3.34Å; H133-D156 IonicContact CG-OD1 3.69Å; H133-D156 IonicContact NE2-OD1 3.94Å; T134-D156 PolarHBondContact O-N 3.31Å
157V94.1Very high93.1Very high38 Ų3858.4 Ų58.423%0.2332%0.319CS..EExtended strand (participates in β ladder)trans-87123.4173.9-179.40000109.5P103 H133 T134 V136 G155P103-V157 HydrophobicContact CG-CG1 3.92Å; H133-V157 CarbonylContact C-O 3.53Å; H133-V157 VanDerWaalsContact CA-O 3.3Å; H133-V157 WeakPolarHBondContact CA-O 3.26Å; T134-V157 PolarHBondContact N-O 2.93Å; T134-V157 PolarHBondContact O-N 2.93Å; V136-V157 HydrophobicContact CB-CG2 4.49Å; V136-V157 HydrophobicContact CG1-CB 4.12Å; V136-V157 HydrophobicContact CG1-CG1 4.11Å; V136-V157 HydrophobicContact CG1-CG2 4.12Å; V136-V157 HydrophobicContact CG2-CG2 3.64Å; G155-V157 VanDerWaalsContact C-N 3.34Å; G155-V157 PolarHBondContact O-N 3.4Å
158P94.3Very high93.1Very high46 Ų4662.8 Ų62.830%0.29934%0.341SS..EExtended strand (participates in β ladder)trans-71.9138.8-177.628.3-34.5000112.2V131 I160V131-P158 HydrophobicContact CG1-CB 3.61Å; P158-I160 HydrophobicContact CB-CD1 4.1Å; P158-I160 HydrophobicContact CB-CG1 4.15Å; P158-I160 HydrophobicContact CB-CG2 4.35Å; P158-I160 HydrophobicContact CG-CD1 3.83Å; P158-I160 HydrophobicContact CG-CG1 4.07Å; P158-I160 PolarHBondContact O-N 3.25Å
159C93.9Very high93.1Very high2 Ų263.9 Ų63.91%0.01434%0.343CS..  trans-78.862.3174.5-68.60000111.6C120 W123 G124 N132C120-C159 HydrophobicContact CB-CB 3.69Å; C120-C159 WeakPolarHBondContact CB-SG 3.33Å; C120-C159 WeakPolarHBondContact SG-CA 3.19Å; C120-C159 WeakPolarHBondContact SG-CB 3.11Å; C120-C159 CovalentContact SG-SG 2.03Å; C120-C159 PolarHBondContact SG-SG 2.86Å; W123-C159 WeakPolarHBondContact CA-O 3.49Å; G124-C159 PolarHBondContact N-O 3.49Å; N132-C159 HydrophobicContact CB-CB 4.14Å; N132-C159 VanDerWaalsContact O-CB 3.27Å; N132-C159 WeakPolarHBondContact O-CB 3.32Å; N132-C159 PolarHBondContact O-N 2.84Å; N132-C159 PolarHBondContact O-SG 3.48Å
160I93.3Very high93.1Very high43 Ų4359.5 Ų59.522%0.22132%0.315CS..  trans-116.7141.9178.360.8-174000110V131 P158 Y162V131-I160 HydrophobicContact CG1-CG2 3.8Å; V131-I160 HydrophobicContact CG2-CG2 4.08Å; P158-I160 HydrophobicContact CB-CD1 4.1Å; P158-I160 HydrophobicContact CB-CG1 4.15Å; P158-I160 HydrophobicContact CB-CG2 4.35Å; P158-I160 HydrophobicContact CG-CD1 3.83Å; P158-I160 HydrophobicContact CG-CG1 4.07Å; P158-I160 PolarHBondContact O-N 3.25Å; I160-Y162 HydrophobicContact CD1-CE2 3.76Å; I160-Y162 VanDerWaalsContact CD1-OH 3.22Å; I160-Y162 WeakPolarHBondContact CD1-OH 3.37Å; I160-Y162 HydrophobicContact CG1-CE2 3.94Å
161K91.8Very high93.1Very high94 Ų9459.2 Ų59.241%0.40932%0.317SS..  trans-119135.6178.9-175.1179.6-179.3178.40109.3W123 T163 S225 N226W123-K161 HydrophobicContact CD2-CB 4.48Å; W123-K161 HydrophobicContact CE3-CB 3.96Å; W123-K161 HydrophobicContact CZ3-CB 4.48Å; K161-T163 HydrophobicContact CD-CG2 4.18Å; K161-T163 HydrophobicContact CG-CG2 4.09Å; K161-S225 CarbonylContact O-C 3.54Å; K161-S225 VanDerWaalsContact O-CA 3.29Å; K161-S225 WeakPolarHBondContact O-CA 3.49Å; K161-S225 VanDerWaalsContact O-CB 3.3Å; K161-S225 WeakPolarHBondContact O-CB 3.16Å; K161-N226 PolarHBondContact O-N 2.79Å
162Y91.6Very high93Very high89 Ų8957.2 Ų57.235%0.34931%0.31SS..EExtended strand (participates in β ladder)trans-115.4125.8174.9-63-72.1000109.2I160 N226 W227I160-Y162 HydrophobicContact CD1-CE2 3.76Å; I160-Y162 VanDerWaalsContact CD1-OH 3.22Å; I160-Y162 WeakPolarHBondContact CD1-OH 3.37Å; I160-Y162 HydrophobicContact CG1-CE2 3.94Å; Y162-N226 HydrophobicContact CD1-CB 4.23Å; Y162-N226 HydrophobicContact CE1-CB 3.87Å; Y162-W227 WeakPolarHBondContact CE1-O 3.31Å
163T90.2Very high92.9Very high53 Ų5360.6 Ų60.633%0.32532%0.323SS..EExtended strand (participates in β ladder)trans-119.123.8-178.853.10000113.4K161 H165 D223 S225K161-T163 HydrophobicContact CD-CG2 4.18Å; K161-T163 HydrophobicContact CG-CG2 4.09Å; T163-H165 VanDerWaalsContact C-N 3.31Å; T163-H165 PolarHBondContact OG1-CD2 2.89Å; T163-D223 VanDerWaalsContact CB-OD2 3.29Å; T163-D223 WeakPolarHBondContact CB-OD2 3.43Å; T163-D223 WeakPolarHBondContact CG2-OD2 3.25Å; T163-D223 PolarHBondContact OG1-OD2 3.32Å; T163-S225 VanDerWaalsContact OG1-CB 3.25Å; T163-S225 WeakPolarHBondContact OG1-CB 3.02Å; T163-S225 PolarHBondContact OG1-OG 3.14Å
164G90.8Very high92.8Very high43 Ų4355.7 Ų55.744%0.44329%0.292SS..EExtended strand (participates in β ladder)trans78.214.8178.500000113.8Y166 C228G164-Y166 WeakPolarHBondContact O-CD2 3.29Å; G164-Y166 VanDerWaalsContact O-CE2 3.27Å; G164-Y166 WeakPolarHBondContact O-CE2 3.25Å; G164-C228 VanDerWaalsContact CA-SG 3.54Å; G164-C228 PolarHBondContact N-SG 3.35Å; G164-C228 VanDerWaalsContact N-SG 3.41Å
165H91.6Very high92.7Very high41 Ų4157.1 Ų57.119%0.1930%0.301CS..EExtended strand (participates in β ladder)trans-82.8120.7171.7-66.6-56.1000110.7T163 C186 P221 W227 C228T163-H165 VanDerWaalsContact C-N 3.31Å; T163-H165 PolarHBondContact OG1-CD2 2.89Å; H165-C186 PolarHBondContact CE1-O 2.82Å; H165-C186 PolarHBondContact ND1-O 3.08Å; H165-P221 HydrophobicContact CB-CG 3.83Å; H165-W227 HydrophobicContact CB-CE3 4.25Å; H165-W227 HydrophobicContact CB-CZ3 4.24Å; H165-C228 PolarHBondContact O-N 3.47Å
166Y93.3Very high92.5Very high53 Ų5362 Ų6221%0.20831%0.311CS..EExtended strand (participates in β ladder)trans-105.8129.7-179.9-66.1-81.1000110.6G164 I168 T169 T170 C228 Y230 Y231G164-Y166 WeakPolarHBondContact O-CD2 3.29Å; G164-Y166 VanDerWaalsContact O-CE2 3.27Å; G164-Y166 WeakPolarHBondContact O-CE2 3.25Å; Y166-I168 PolarHBondContact O-N 3.41Å; Y166-T169 WeakPolarHBondContact CB-OG1 3.3Å; Y166-T169 PolarHBondContact O-N 3.36Å; Y166-T170 WeakPolarHBondContact O-CB 3.02Å; Y166-T170 PolarHBondContact O-N 3.07Å; Y166-T170 PolarHBondContact O-OG1 2.66Å; Y166-C228 HydrophobicContact CD1-CB 3.66Å; Y166-C228 HydrophobicContact CE1-CB 3.37Å; Y166-C228 HydrophobicContact CG-CB 4.35Å; Y166-Y230 WeakPolarHBondContact CE1-O 3.3Å; Y166-Y230 PolarHBondContact OH-O 3.03Å; Y166-Y231 AromaticContact CD1-CD1 3.69Å; Y166-Y231 HydrophobicContact CD1-CD1 3.69Å; Y166-Y231 AromaticContact CD1-CE1 3.44Å; Y166-Y231 HydrophobicContact CD1-CE1 3.44Å; Y166-Y231 VanDerWaalsContact CD1-CE1 3.44Å; Y166-Y231 HydrophobicContact CD1-CG 4.32Å; Y166-Y231 AromaticContact CD1-CZ 3.85Å; Y166-Y231 AromaticContact CE1-CD1 3.96Å; Y166-Y231 HydrophobicContact CE1-CD1 3.96Å; Y166-Y231 HydrophobicContact CE1-CE1 4.19Å; Y166-Y231 HydrophobicContact CE1-CG 4.34Å; Y166-Y231 HydrophobicContact CG-CD1 4.1Å; Y166-Y231 AromaticContact CG-CE1 3.65Å; Y166-Y231 HydrophobicContact CG-CE1 3.65Å
167F93.3Very high92.4Very high61 Ų6159.1 Ų59.127%0.26830%0.296SS..Hα-helixtrans-60.3-48-179.8178-105.2000111.7T170 L171 L214 W227F167-T170 PolarHBondContact O-N 3.5Å; F167-L171 HydrophobicContact CE1-CD1 3.91Å; F167-L171 HydrophobicContact CZ-CD1 4.05Å; F167-L171 WeakPolarHBondContact O-CB 3.49Å; F167-L171 PolarHBondContact O-N 2.86Å; F167-L214 HydrophobicContact CD2-CD2 4.22Å; F167-L214 HydrophobicContact CE2-CD2 3.56Å; F167-L214 HydrophobicContact CE2-CG 4.22Å; F167-L214 WeakPolarHBondContact CE2-O 3.3Å; F167-L214 HydrophobicContact CZ-CD2 3.95Å; F167-W227 HydrophobicContact CB-CB 4.22Å; F167-W227 HydrophobicContact CB-CD2 3.83Å; F167-W227 HydrophobicContact CB-CE3 3.96Å; F167-W227 HydrophobicContact CB-CG 3.96Å; F167-W227 HydrophobicContact CD2-CD2 4.16Å; F167-W227 AromaticContact CD2-CE2 3.81Å; F167-W227 HydrophobicContact CD2-CH2 4.45Å; F167-W227 AromaticContact CD2-CZ2 3.97Å; F167-W227 HydrophobicContact CD2-CZ2 3.97Å
168I93.3Very high91.9Very high94 Ų9457.3 Ų57.348%0.48229%0.285SS..Hα-helixtrans-69.2-41.2-176.9-49.2-64.8000111.2Y166 T170 L171 L172 Y231Y166-I168 PolarHBondContact O-N 3.41Å; I168-T170 VanDerWaalsContact C-N 3.31Å; I168-T170 PolarHBondContact O-N 3.02Å; I168-L171 WeakPolarHBondContact O-CB 3.44Å; I168-L171 PolarHBondContact O-N 3.46Å; I168-L172 WeakPolarHBondContact O-CB 3.46Å; I168-L172 PolarHBondContact O-N 3.35Å; I168-Y231 WeakPolarHBondContact CB-OH 3.27Å; I168-Y231 WeakPolarHBondContact CG1-OH 3.35Å; I168-Y231 PolarHBondContact N-OH 2.89Å
169T93Very high91.4Very high43 Ų4358.2 Ų58.226%0.26429%0.292SS..Hα-helixtrans-59.7-44.4175.9-52.90000111Y166 L172 Y173Y166-T169 WeakPolarHBondContact CB-OG1 3.3Å; Y166-T169 PolarHBondContact O-N 3.36Å; T169-L172 WeakPolarHBondContact O-CB 3.32Å; T169-L172 PolarHBondContact O-N 3.26Å; T169-Y173 HydrophobicContact CG2-CD2 4.21Å; T169-Y173 HydrophobicContact CG2-CE1 4.34Å; T169-Y173 HydrophobicContact CG2-CE2 3.61Å; T169-Y173 PolarHBondContact O-N 3.35Å
170T93.7Very high91Very high4 Ų464.3 Ų64.33%0.02532%0.318CS..Hα-helixtrans-67.6-39.5178.6-49.10000111.4Y166 F167 I168 L172 Y173 S174 D183 L187 L214 W227Y166-T170 WeakPolarHBondContact O-CB 3.02Å; Y166-T170 PolarHBondContact O-N 3.07Å; Y166-T170 PolarHBondContact O-OG1 2.66Å; F167-T170 PolarHBondContact O-N 3.5Å; I168-T170 VanDerWaalsContact C-N 3.31Å; I168-T170 PolarHBondContact O-N 3.02Å; T170-L172 VanDerWaalsContact C-N 3.31Å; T170-L172 PolarHBondContact O-N 3.45Å; T170-Y173 PolarHBondContact O-N 3.01Å; T170-S174 WeakPolarHBondContact O-CB 3.37Å; T170-S174 PolarHBondContact O-N 3.17Å; T170-D183 HydrophobicContact CG2-CB 4.48Å; T170-L187 HydrophobicContact CG2-CD1 3.78Å; T170-L187 HydrophobicContact CG2-CD2 3.98Å; T170-L187 HydrophobicContact CG2-CG 3.77Å; T170-L214 HydrophobicContact CG2-CD1 3.56Å; T170-W227 HydrophobicContact CG2-CH2 4.29Å
171L93.8Very high90.8Very high48 Ų4862.2 Ų62.225%0.25131%0.308SS..Hα-helixtrans-59.8-43.2173-173.4156.6000111.1F167 I168 S174 F175 L214 I215F167-L171 HydrophobicContact CE1-CD1 3.91Å; F167-L171 HydrophobicContact CZ-CD1 4.05Å; F167-L171 WeakPolarHBondContact O-CB 3.49Å; F167-L171 PolarHBondContact O-N 2.86Å; I168-L171 WeakPolarHBondContact O-CB 3.44Å; I168-L171 PolarHBondContact O-N 3.46Å; L171-S174 WeakPolarHBondContact O-CB 3.49Å; L171-S174 PolarHBondContact O-N 3.16Å; L171-F175 WeakPolarHBondContact O-CB 3.22Å; L171-F175 PolarHBondContact O-N 2.89Å; L171-L214 HydrophobicContact CB-CD2 3.72Å; L171-L214 HydrophobicContact CD1-CD2 4.2Å; L171-L214 HydrophobicContact CG-CD2 4.05Å; L171-I215 HydrophobicContact CD1-CG2 4.22Å
172L93.2Very high90.8Very high84 Ų8459.9 Ų59.944%0.4430%0.301SS..Hα-helixtrans-63.1-44.5178.3-161.567.4000111.5I168 T169 T170 S174 F175 F176I168-L172 WeakPolarHBondContact O-CB 3.46Å; I168-L172 PolarHBondContact O-N 3.35Å; T169-L172 WeakPolarHBondContact O-CB 3.32Å; T169-L172 PolarHBondContact O-N 3.26Å; T170-L172 VanDerWaalsContact C-N 3.31Å; T170-L172 PolarHBondContact O-N 3.45Å; L172-S174 VanDerWaalsContact C-N 3.34Å; L172-F175 PolarHBondContact O-N 2.72Å; L172-F176 HydrophobicContact CD1-CD2 3.76Å; L172-F176 HydrophobicContact CD1-CE2 3.38Å; L172-F176 HydrophobicContact CG-CD2 3.83Å; L172-F176 HydrophobicContact CG-CE2 3.92Å; L172-F176 WeakPolarHBondContact O-CD2 3.22Å; L172-F176 PolarHBondContact O-N 3.25Å
173Y93Very high90.7Very high90 Ų9055.6 Ų55.635%0.35328%0.284SS..Hα-helixtrans-63.2-40.1173.3-65.7-21.4000111.9T169 T170 F175 L177 G178 V182 C186T169-Y173 HydrophobicContact CG2-CD2 4.21Å; T169-Y173 HydrophobicContact CG2-CE1 4.34Å; T169-Y173 HydrophobicContact CG2-CE2 3.61Å; T169-Y173 PolarHBondContact O-N 3.35Å; T170-Y173 PolarHBondContact O-N 3.01Å; Y173-F175 VanDerWaalsContact C-N 3.33Å; Y173-F175 PolarHBondContact O-N 3.24Å; Y173-L177 HydrophobicContact CD1-CD1 4.25Å; Y173-L177 CarbonylContact O-C 3.59Å; Y173-L177 VanDerWaalsContact O-C 3.26Å; Y173-L177 VanDerWaalsContact O-CA 3.23Å; Y173-L177 WeakPolarHBondContact O-CA 3.29Å; Y173-L177 WeakPolarHBondContact O-CB 3.49Å; Y173-L177 PolarHBondContact O-N 3.5Å; Y173-G178 PolarHBondContact O-N 3.11Å; Y173-G178 VanDerWaalsContact O-N 3.09Å; Y173-V182 HydrophobicContact CG-CG1 4.49Å; Y173-C186 HydrophobicContact CD2-CB 4.42Å
174S92.5Very high90.8Very high0 Ų054.3 Ų54.30%027%0.273CS..Hα-helixtrans-63.5-41.1175.3-171.80000111.2T170 L171 L172 G178 W207T170-S174 WeakPolarHBondContact O-CB 3.37Å; T170-S174 PolarHBondContact O-N 3.17Å; L171-S174 WeakPolarHBondContact O-CB 3.49Å; L171-S174 PolarHBondContact O-N 3.16Å; L172-S174 VanDerWaalsContact C-N 3.34Å; S174-G178 VanDerWaalsContact O-CA 3.24Å; S174-G178 WeakPolarHBondContact O-CA 3.34Å; S174-G178 PolarHBondContact O-N 2.64Å; S174-W207 PolarHBondContact O-NE1 2.89Å
175F90.9Very high90.9Very high107 Ų10755.9 Ų55.947%0.46927%0.268SS..Hα-helixtrans-68.9-51.3-179.2-175.7-100.8000112.3L171 L172 Y173 W207L171-F175 WeakPolarHBondContact O-CB 3.22Å; L171-F175 PolarHBondContact O-N 2.89Å; L172-F175 PolarHBondContact O-N 2.72Å; Y173-F175 VanDerWaalsContact C-N 3.33Å; Y173-F175 PolarHBondContact O-N 3.24Å; F175-W207 HydrophobicContact CD2-CZ2 4.2Å; F175-W207 HydrophobicContact CE2-CZ2 4.42Å; F175-W207 PolarHBondContact O-NE1 3.19Å
176F89.9Confident90.9Very high140 Ų14056.2 Ų56.261%0.61428%0.275SS*.Hα-helixtrans-86.8-36-174.9-70.9-65.7000114.5L172L172-F176 HydrophobicContact CD1-CD2 3.76Å; L172-F176 HydrophobicContact CD1-CE2 3.38Å; L172-F176 HydrophobicContact CG-CD2 3.83Å; L172-F176 HydrophobicContact CG-CE2 3.92Å; L172-F176 WeakPolarHBondContact O-CD2 3.22Å; L172-F176 PolarHBondContact O-N 3.25Å
177L88.6Confident90.8Very high68 Ų6853.7 Ų53.736%0.35627%0.265SS..Hα-helixtrans-117.87.7-171-60.7169.9000112.6Y173 C179 F180 G181 V182Y173-L177 HydrophobicContact CD1-CD1 4.25Å; Y173-L177 CarbonylContact O-C 3.59Å; Y173-L177 VanDerWaalsContact O-C 3.26Å; Y173-L177 VanDerWaalsContact O-CA 3.23Å; Y173-L177 WeakPolarHBondContact O-CA 3.29Å; Y173-L177 WeakPolarHBondContact O-CB 3.49Å; Y173-L177 PolarHBondContact O-N 3.5Å; L177-C179 VanDerWaalsContact C-N 3.28Å; L177-C179 PolarHBondContact O-N 3.22Å; L177-F180 HydrophobicContact CD2-CD2 4.37Å; L177-F180 WeakPolarHBondContact O-CB 3.42Å; L177-F180 PolarHBondContact O-N 3.19Å; L177-G181 PolarHBondContact O-N 2.87Å; L177-V182 HydrophobicContact CB-CB 3.79Å; L177-V182 HydrophobicContact CB-CG1 4.47Å; L177-V182 HydrophobicContact CB-CG2 3.82Å; L177-V182 HydrophobicContact CD1-CB 4.32Å; L177-V182 HydrophobicContact CD1-CG1 4.14Å; L177-V182 HydrophobicContact CD1-CG2 4.29Å
178G84.1Confident90.8Very high1 Ų152.5 Ų52.51%0.0127%0.27CS..G310 helixtrans-70.2-20.6-173.300000115.1Y173 S174 F180 G181 D183Y173-G178 PolarHBondContact O-N 3.11Å; Y173-G178 VanDerWaalsContact O-N 3.09Å; S174-G178 VanDerWaalsContact O-CA 3.24Å; S174-G178 WeakPolarHBondContact O-CA 3.34Å; S174-G178 PolarHBondContact O-N 2.64Å; G178-F180 PolarHBondContact O-N 3.19Å; G178-G181 PolarHBondContact O-N 3.44Å; G178-D183 VanDerWaalsContact CA-OD1 3.26Å; G178-D183 WeakPolarHBondContact CA-OD1 3.31Å
179C83.4Confident90.7Very high64 Ų6450.5 Ų50.543%0.43226%0.258SS..G310 helixtrans-63.4-29.2168.6-65.80000112.4L177 G201L177-C179 VanDerWaalsContact C-N 3.28Å; L177-C179 PolarHBondContact O-N 3.22Å; C179-G201 WeakPolarHBondContact O-CA 3.06Å
180F86.8Confident90.6Very high130 Ų13052.2 Ų52.257%0.5727%0.268SS*.G310 helixtrans-89.1-7173.4-59.7-73000112.6L177 G178 V182 L197L177-F180 HydrophobicContact CD2-CD2 4.37Å; L177-F180 WeakPolarHBondContact O-CB 3.42Å; L177-F180 PolarHBondContact O-N 3.19Å; G178-F180 PolarHBondContact O-N 3.19Å; F180-V182 VanDerWaalsContact C-N 3.32Å; F180-V182 HydrophobicContact CB-CG2 4.11Å; F180-V182 PolarHBondContact O-N 3.38Å; F180-L197 HydrophobicContact CB-CD2 4.37Å; F180-L197 WeakPolarHBondContact O-CD2 3.37Å
181G88.3Confident90.5Very high0 Ų055 Ų550%030%0.299CS..THydrogen-bonded Turntrans7121.7-179.500000114.8L177 G178 D183 R184 F185L177-G181 PolarHBondContact O-N 2.87Å; G178-G181 PolarHBondContact O-N 3.44Å; G181-D183 PolarHBondContact O-N 2.9Å; G181-R184 PolarHBondContact O-N 3.36Å; G181-R184 VanDerWaalsContact O-N 3.12Å; G181-F185 WeakPolarHBondContact O-CD2 3.27Å; G181-F185 PolarHBondContact O-N 3.43Å; G181-F185 VanDerWaalsContact O-N 3.15Å
182V91Very high90.3Very high44 Ų4455.5 Ų55.527%0.26730%0.303SS..Hα-helixtrans-59.3-36.9179.8176.50000111.5Y173 L177 F180 R184 F185 C186Y173-V182 HydrophobicContact CG-CG1 4.49Å; L177-V182 HydrophobicContact CB-CB 3.79Å; L177-V182 HydrophobicContact CB-CG1 4.47Å; L177-V182 HydrophobicContact CB-CG2 3.82Å; L177-V182 HydrophobicContact CD1-CB 4.32Å; L177-V182 HydrophobicContact CD1-CG1 4.14Å; L177-V182 HydrophobicContact CD1-CG2 4.29Å; F180-V182 VanDerWaalsContact C-N 3.32Å; F180-V182 HydrophobicContact CB-CG2 4.11Å; F180-V182 PolarHBondContact O-N 3.38Å; V182-R184 VanDerWaalsContact C-N 3.33Å; V182-R184 PolarHBondContact O-N 3.44Å; V182-F185 PolarHBondContact O-N 3.15Å; V182-C186 PolarHBondContact O-N 3.22Å; V182-C186 PolarHBondContact O-SG 3.24Å
183D91.1Very high90.2Very high0 Ų051.5 Ų51.50%028%0.282CS..Hα-helixtrans-53.6-45.1173.354.9-68.5000112.8T170 G178 G181 C186 L187 K196T170-D183 HydrophobicContact CG2-CB 4.48Å; G178-D183 VanDerWaalsContact CA-OD1 3.26Å; G178-D183 WeakPolarHBondContact CA-OD1 3.31Å; G181-D183 PolarHBondContact O-N 2.9Å; D183-C186 PolarHBondContact O-N 3.27Å; D183-L187 WeakPolarHBondContact O-CG 3.39Å; D183-L187 PolarHBondContact O-N 3.4Å; D183-K196 IonicContact OD1-NZ 3.81Å; D183-K196 IonicContact OD2-NZ 3.66Å; D183-K196 PolarHBondContact OD2-NZ 3.25Å
184R92Very high90.1Very high26 Ų2650.2 Ų50.210%0.09828%0.284CS..Hα-helixtrans-73.1-35.1178.2-70.2-66.3-179.7140.91.5112.7G181 V182 L187 G188 H189 A193 K196 D210G181-R184 PolarHBondContact O-N 3.36Å; G181-R184 VanDerWaalsContact O-N 3.12Å; V182-R184 VanDerWaalsContact C-N 3.33Å; V182-R184 PolarHBondContact O-N 3.44Å; R184-L187 PolarHBondContact O-N 3.39Å; R184-G188 PolarHBondContact O-N 3.36Å; R184-H189 HydrophobicContact CB-CB 4.24Å; R184-H189 PolarHBondContact O-N 3.44Å; R184-A193 HydrophobicContact CB-CB 3.64Å; R184-K196 HydrophobicContact CG-CD 4.39Å; R184-D210 WeakPolarHBondContact CG-OD2 3.49Å; R184-D210 IonicContact CZ-OD1 3.29Å; R184-D210 IonicContact CZ-OD2 3.16Å; R184-D210 VanDerWaalsContact CZ-OD2 3.29Å; R184-D210 IonicContact NE-OD1 2.67Å; R184-D210 IonicContact NE-OD2 2.55Å; R184-D210 PolarHBondContact NE-OD2 3.48Å; R184-D210 IonicContact NH2-OD1 2.79Å; R184-D210 PolarHBondContact NH2-OD1 3.3Å; R184-D210 IonicContact NH2-OD2 3.31Å; R184-D210 PolarHBondContact NH2-OD2 3.32Å; R184-D210 VanDerWaalsContact NH2-OD2 3.16Å
185F92.4Very high90Very high75 Ų7551.4 Ų51.433%0.32930%0.297SS..Hα-helixtrans-63.4-43.8173.4-76.3-65.7000111.3G181 V182 L187 G188 T190 A193 V194 L197G181-F185 WeakPolarHBondContact O-CD2 3.27Å; G181-F185 PolarHBondContact O-N 3.43Å; G181-F185 VanDerWaalsContact O-N 3.15Å; V182-F185 PolarHBondContact O-N 3.15Å; F185-L187 VanDerWaalsContact C-N 3.27Å; F185-L187 PolarHBondContact O-N 3.43Å; F185-G188 PolarHBondContact O-N 3.19Å; F185-G188 VanDerWaalsContact O-N 3.15Å; F185-T190 HydrophobicContact CD1-CG2 4.36Å; F185-T190 HydrophobicContact CE1-CG2 4.06Å; F185-A193 HydrophobicContact CB-CB 4.49Å; F185-A193 HydrophobicContact CD1-CB 3.59Å; F185-A193 HydrophobicContact CD2-CB 3.56Å; F185-A193 HydrophobicContact CE1-CB 3.51Å; F185-A193 HydrophobicContact CE2-CB 3.46Å; F185-A193 VanDerWaalsContact CE2-CB 3.46Å; F185-A193 HydrophobicContact CG-CB 3.61Å; F185-A193 HydrophobicContact CZ-CB 3.43Å; F185-A193 VanDerWaalsContact CZ-CB 3.43Å; F185-V194 HydrophobicContact CE1-CG2 4.07Å; F185-V194 HydrophobicContact CZ-CG2 4.04Å; F185-L197 HydrophobicContact CE2-CD1 3.63Å; F185-L197 HydrophobicContact CE2-CG 4.21Å; F185-L197 HydrophobicContact CZ-CD1 3.68Å
186C90.8Very high89.8Confident49 Ų4946.4 Ų46.433%0.33127%0.274SS..Hα-helixtrans-64.1-31.4178.3-69.60000113H165 Y173 V182 D183 G188H165-C186 PolarHBondContact CE1-O 2.82Å; H165-C186 PolarHBondContact ND1-O 3.08Å; Y173-C186 HydrophobicContact CD2-CB 4.42Å; V182-C186 PolarHBondContact O-N 3.22Å; V182-C186 PolarHBondContact O-SG 3.24Å; D183-C186 PolarHBondContact O-N 3.27Å; C186-G188 VanDerWaalsContact C-N 3.31Å
187L92.3Very high89.7Confident0 Ų043.3 Ų43.30%026%0.264CS..THydrogen-bonded Turntrans-84.1-0.4177-69.2171.7000114.4T170 D183 R184 F185 H189 L219 P221 S222 W227T170-L187 HydrophobicContact CG2-CD1 3.78Å; T170-L187 HydrophobicContact CG2-CD2 3.98Å; T170-L187 HydrophobicContact CG2-CG 3.77Å; D183-L187 WeakPolarHBondContact O-CG 3.39Å; D183-L187 PolarHBondContact O-N 3.4Å; R184-L187 PolarHBondContact O-N 3.39Å; F185-L187 VanDerWaalsContact C-N 3.27Å; F185-L187 PolarHBondContact O-N 3.43Å; L187-H189 VanDerWaalsContact C-N 3.33Å; L187-L219 HydrophobicContact CD1-CD1 4.2Å; L187-L219 HydrophobicContact CD1-CD2 3.7Å; L187-L219 HydrophobicContact CD1-CG 3.66Å; L187-P221 HydrophobicContact CD2-CB 4.32Å; L187-P221 HydrophobicContact CD2-CG 3.87Å; L187-S222 WeakPolarHBondContact O-CB 3.36Å; L187-S222 PolarHBondContact O-N 3.35Å; L187-S222 PolarHBondContact O-OG 2.88Å; L187-W227 HydrophobicContact CD2-CH2 3.59Å; L187-W227 HydrophobicContact CD2-CZ3 3.82Å
188G91.8Very high89.6Confident36 Ų3646.9 Ų46.937%0.37128%0.283SS..THydrogen-bonded Turntrans83.71-178.400000115R184 F185 C186 T190 S222R184-G188 PolarHBondContact O-N 3.36Å; F185-G188 PolarHBondContact O-N 3.19Å; F185-G188 VanDerWaalsContact O-N 3.15Å; C186-G188 VanDerWaalsContact C-N 3.31Å; G188-T190 PolarHBondContact O-N 3.39Å; G188-S222 WeakPolarHBondContact CA-OG 3.41Å
189H92.1Very high89.7Confident51 Ų5150.2 Ų50.224%0.23630%0.303CS..  trans-79.653178.1-67.1-63000112.9R184 L187 G191 T192 A193 M220R184-H189 HydrophobicContact CB-CB 4.24Å; R184-H189 PolarHBondContact O-N 3.44Å; L187-H189 VanDerWaalsContact C-N 3.33Å; H189-G191 VanDerWaalsContact C-N 3.3Å; H189-G191 PolarHBondContact O-N 3.02Å; H189-T192 WeakPolarHBondContact CB-OG1 3.07Å; H189-T192 PolarHBondContact O-N 2.84Å; H189-T192 PolarHBondContact O-OG1 2.86Å; H189-A193 WeakPolarHBondContact O-CB 3.3Å; H189-A193 PolarHBondContact O-N 3.33Å; H189-M220 PolarHBondContact NE2-O 2.71Å
190T91.8Very high89.5Confident79 Ų7954.9 Ų54.949%0.48532%0.323SS..Hα-helixtrans-54.7-40.5-171.7-540000112.9F185 G188 A193 V194F185-T190 HydrophobicContact CD1-CG2 4.36Å; F185-T190 HydrophobicContact CE1-CG2 4.06Å; G188-T190 PolarHBondContact O-N 3.39Å; T190-A193 PolarHBondContact O-N 2.96Å; T190-V194 HydrophobicContact CG2-CG2 4.38Å; T190-V194 WeakPolarHBondContact O-CG2 3.29Å; T190-V194 PolarHBondContact O-N 2.8Å
191G90.9Very high88.7Confident64 Ų6448.9 Ų48.966%0.6630%0.297SS*.Hα-helixtrans-60.9-49.1179.400000113H189 A193 V194 G195H189-G191 VanDerWaalsContact C-N 3.3Å; H189-G191 PolarHBondContact O-N 3.02Å; G191-A193 VanDerWaalsContact C-N 3.31Å; G191-A193 PolarHBondContact O-N 3.03Å; G191-V194 PolarHBondContact O-N 2.92Å; G191-G195 PolarHBondContact O-N 3Å
192T89.1Confident87.9Confident57 Ų5749.4 Ų49.435%0.3530%0.303SS..Hα-helixtrans-67.9-33177.665.50000112.2H189 G195 K196H189-T192 WeakPolarHBondContact CB-OG1 3.07Å; H189-T192 PolarHBondContact O-N 2.84Å; H189-T192 PolarHBondContact O-OG1 2.86Å; T192-G195 PolarHBondContact O-N 2.79Å; T192-K196 PolarHBondContact O-N 2.91Å
193A91.2Very high87.3Confident0 Ų053.4 Ų53.40%032%0.322CS..Hα-helixtrans-66.8-43.6177.500000111.9R184 F185 H189 T190 G191 K196 L197R184-A193 HydrophobicContact CB-CB 3.64Å; F185-A193 HydrophobicContact CB-CB 4.49Å; F185-A193 HydrophobicContact CD1-CB 3.59Å; F185-A193 HydrophobicContact CD2-CB 3.56Å; F185-A193 HydrophobicContact CE1-CB 3.51Å; F185-A193 HydrophobicContact CE2-CB 3.46Å; F185-A193 VanDerWaalsContact CE2-CB 3.46Å; F185-A193 HydrophobicContact CG-CB 3.61Å; F185-A193 HydrophobicContact CZ-CB 3.43Å; F185-A193 VanDerWaalsContact CZ-CB 3.43Å; H189-A193 WeakPolarHBondContact O-CB 3.3Å; H189-A193 PolarHBondContact O-N 3.33Å; T190-A193 PolarHBondContact O-N 2.96Å; G191-A193 VanDerWaalsContact C-N 3.31Å; G191-A193 PolarHBondContact O-N 3.03Å; A193-K196 WeakPolarHBondContact O-CB 3.24Å; A193-K196 PolarHBondContact O-N 2.95Å; A193-L197 PolarHBondContact O-N 2.79Å; A193-L197 VanDerWaalsContact O-N 3.11Å
194V91.5Very high86.8Confident63 Ų6354.7 Ų54.738%0.38234%0.335SS..Hα-helixtrans-65-40.1173.2174.60000111F185 T190 G191 K196 L197 L198F185-V194 HydrophobicContact CE1-CG2 4.07Å; F185-V194 HydrophobicContact CZ-CG2 4.04Å; T190-V194 HydrophobicContact CG2-CG2 4.38Å; T190-V194 WeakPolarHBondContact O-CG2 3.29Å; T190-V194 PolarHBondContact O-N 2.8Å; G191-V194 PolarHBondContact O-N 2.92Å; V194-K196 VanDerWaalsContact C-N 3.31Å; V194-K196 PolarHBondContact O-N 2.03Å; V194-L197 PolarHBondContact O-N 2.92Å; V194-L197 VanDerWaalsContact O-N 3.12Å; V194-L198 HydrophobicContact CG1-CD1 4Å; V194-L198 HydrophobicContact CG1-CG 4.18Å; V194-L198 WeakPolarHBondContact O-CG 3.49Å; V194-L198 PolarHBondContact O-N 3.01Å
195G89.4Confident86.5Confident26 Ų2656.9 Ų56.927%0.26835%0.348SS..Hα-helixtrans-57.4-42.1174.400000112.9G191 T192 T199G191-G195 PolarHBondContact O-N 3Å; T192-G195 PolarHBondContact O-N 2.79Å; G195-T199 WeakPolarHBondContact O-CB 3.32Å; G195-T199 WeakPolarHBondContact O-CG2 3.07Å; G195-T199 PolarHBondContact O-N 2.78Å; G195-T199 VanDerWaalsContact O-N 3.13Å; G195-T199 PolarHBondContact O-OG1 2.89Å
196K87.8Confident86.3Confident1 Ų158.5 Ų58.50%0.00435%0.352CS..Hα-helixtrans-60.9-45.1172.3-77.2176155.2-163.40112.2D183 R184 T192 A193 V194 T199 L200 G201 W206 D210D183-K196 IonicContact OD1-NZ 3.81Å; D183-K196 IonicContact OD2-NZ 3.66Å; D183-K196 PolarHBondContact OD2-NZ 3.25Å; R184-K196 HydrophobicContact CG-CD 4.39Å; T192-K196 PolarHBondContact O-N 2.91Å; A193-K196 WeakPolarHBondContact O-CB 3.24Å; A193-K196 PolarHBondContact O-N 2.95Å; V194-K196 VanDerWaalsContact C-N 3.31Å; V194-K196 PolarHBondContact O-N 2.03Å; K196-T199 CarbonylContact O-C 3.59Å; K196-T199 PolarHBondContact O-N 2.78Å; K196-T199 PolarHBondContact O-OG1 2.71Å; K196-T199 VanDerWaalsContact O-OG1 3.08Å; K196-L200 PolarHBondContact O-N 2.86Å; K196-G201 PolarHBondContact O-N 2.91Å; K196-W206 HydrophobicContact CD-CE3 4.25Å; K196-W206 HydrophobicContact CG-CB 4.43Å; K196-W206 HydrophobicContact CG-CD2 4.11Å; K196-W206 HydrophobicContact CG-CE3 3.43Å; K196-W206 VanDerWaalsContact CG-CE3 3.43Å; K196-W206 HydrophobicContact CG-CZ3 3.99Å; K196-D210 VanDerWaalsContact CE-CG 3.45Å; K196-D210 WeakPolarHBondContact CE-OD2 2.97Å; K196-D210 IonicContact NZ-OD2 3.71Å; K196-D210 PolarHBondContact NZ-OD2 3.33Å
197L87.1Confident86.2Confident76 Ų7659.4 Ų59.440%0.39835%0.348SS..Hα-helixtrans-64.1-44.6179.4-75177.9000112.7F180 F185 A193 V194 T199 L200F180-L197 HydrophobicContact CB-CD2 4.37Å; F180-L197 WeakPolarHBondContact O-CD2 3.37Å; F185-L197 HydrophobicContact CE2-CD1 3.63Å; F185-L197 HydrophobicContact CE2-CG 4.21Å; F185-L197 HydrophobicContact CZ-CD1 3.68Å; A193-L197 PolarHBondContact O-N 2.79Å; A193-L197 VanDerWaalsContact O-N 3.11Å; V194-L197 PolarHBondContact O-N 2.92Å; V194-L197 VanDerWaalsContact O-N 3.12Å; L197-T199 PolarHBondContact O-N 2.9Å; L197-L200 PolarHBondContact O-N 3.18Å
198L87.4Confident86.1Confident143 Ų14362.9 Ų62.975%0.74936%0.364SS*.Hα-helixtrans-64.9-31179.2-69.2178000112.4V194 L200V194-L198 HydrophobicContact CG1-CD1 4Å; V194-L198 HydrophobicContact CG1-CG 4.18Å; V194-L198 WeakPolarHBondContact O-CG 3.49Å; V194-L198 PolarHBondContact O-N 3.01Å; L198-L200 VanDerWaalsContact C-N 3.26Å; L198-L200 PolarHBondContact O-N 2.95Å
199T85.3Confident86.1Confident71 Ų7164.4 Ų64.444%0.43637%0.366SS..THydrogen-bonded Turntrans-87.910.8175.857.80000113.1G195 K196 L197 G201 G202G195-T199 WeakPolarHBondContact O-CB 3.32Å; G195-T199 WeakPolarHBondContact O-CG2 3.07Å; G195-T199 PolarHBondContact O-N 2.78Å; G195-T199 VanDerWaalsContact O-N 3.13Å; G195-T199 PolarHBondContact O-OG1 2.89Å; K196-T199 CarbonylContact O-C 3.59Å; K196-T199 PolarHBondContact O-N 2.78Å; K196-T199 PolarHBondContact O-OG1 2.71Å; K196-T199 VanDerWaalsContact O-OG1 3.08Å; L197-T199 PolarHBondContact O-N 2.9Å; T199-G201 PolarHBondContact O-N 2.84Å; T199-G202 PolarHBondContact O-N 3.14Å
200L79.8Confident86.1Confident162 Ų16262.2 Ų62.285%0.84836%0.356SS*.G310 helixtrans51.238.3-176.1-64.3172000112.8K196 L197 L198 G202K196-L200 PolarHBondContact O-N 2.86Å; L197-L200 PolarHBondContact O-N 3.18Å; L198-L200 VanDerWaalsContact C-N 3.26Å; L198-L200 PolarHBondContact O-N 2.95Å; L200-G202 VanDerWaalsContact C-N 3.27Å; L200-G202 PolarHBondContact O-N 3.03Å
201G70.4Confident86.2Confident3 Ų359.8 Ų59.83%0.03134%0.34CS..G310 helixtrans73.315.3-179.100000114.2C179 K196 T199 L203 G204C179-G201 WeakPolarHBondContact O-CA 3.06Å; K196-G201 PolarHBondContact O-N 2.91Å; T199-G201 PolarHBondContact O-N 2.84Å; G201-L203 VanDerWaalsContact C-N 3.34Å; G201-L203 PolarHBondContact O-N 2.89Å; G201-G204 PolarHBondContact O-N 2.68Å
202G70.4Confident86.3Confident12 Ų1259.9 Ų59.912%0.12432%0.324CS..G310 helixtrans55.141.9171.300000114.5T199 L200 G204 I205T199-G202 PolarHBondContact O-N 3.14Å; L200-G202 VanDerWaalsContact C-N 3.27Å; L200-G202 PolarHBondContact O-N 3.03Å; G202-G204 PolarHBondContact O-N 2.8Å; G202-G204 VanDerWaalsContact O-N 3.12Å; G202-I205 PolarHBondContact O-N 2.87Å; G202-I205 VanDerWaalsContact O-N 3.16Å
203L78Confident86.5Confident128 Ų12860.2 Ų60.267%0.6732%0.324SS*.G310 helixtrans53.825.9-176.2-67.7104.2000114.7F17 G201 I205F17-L203 HydrophobicContact CD2-CD2 4.11Å; F17-L203 HydrophobicContact CE1-CB 4.44Å; F17-L203 HydrophobicContact CE1-CD2 4.32Å; F17-L203 HydrophobicContact CE2-CD2 3.71Å; F17-L203 HydrophobicContact CZ-CD1 4.2Å; F17-L203 HydrophobicContact CZ-CD2 3.83Å; F17-L203 HydrophobicContact CZ-CG 4.45Å; G201-L203 VanDerWaalsContact C-N 3.34Å; G201-L203 PolarHBondContact O-N 2.89Å; L203-I205 VanDerWaalsContact C-N 3.32Å; L203-I205 PolarHBondContact O-N 2.03Å
204G81.2Confident86.6Confident26 Ų2660.2 Ų60.227%0.26832%0.324SS..G310 helixtrans86.1-7.617900000115.1G201 G202 W207 F208G201-G204 PolarHBondContact O-N 2.68Å; G202-G204 PolarHBondContact O-N 2.8Å; G202-G204 VanDerWaalsContact O-N 3.12Å; G204-W207 WeakPolarHBondContact O-CB 3.45Å; G204-W207 PolarHBondContact O-N 2.04Å; G204-F208 PolarHBondContact O-N 3.32Å; G204-F208 VanDerWaalsContact O-N 3.12Å
205I86.9Confident86.7Confident72 Ų7261.6 Ų61.637%0.36933%0.328SS..Hα-helixtrans-66.5-43.4175.5-62.1165.8000110F17 G202 L203 W207 F208 V209F17-I205 HydrophobicContact CD1-CD1 4.48Å; F17-I205 HydrophobicContact CE1-CD1 4.04Å; G202-I205 PolarHBondContact O-N 2.87Å; G202-I205 VanDerWaalsContact O-N 3.16Å; L203-I205 VanDerWaalsContact C-N 3.32Å; L203-I205 PolarHBondContact O-N 2.03Å; I205-W207 VanDerWaalsContact C-N 3.29Å; I205-W207 PolarHBondContact O-N 3.45Å; I205-F208 PolarHBondContact O-N 3.1Å; I205-V209 HydrophobicContact CG2-CG2 4.36Å; I205-V209 WeakPolarHBondContact O-CG2 3.36Å; I205-V209 PolarHBondContact O-N 3.5Å
206W88.3Confident86.9Confident110 Ų11064.9 Ų64.942%0.41734%0.343SS..Hα-helixtrans-62.5-36.8177-83.372.5000112.8K196 D210K196-W206 HydrophobicContact CD-CE3 4.25Å; K196-W206 HydrophobicContact CG-CB 4.43Å; K196-W206 HydrophobicContact CG-CD2 4.11Å; K196-W206 HydrophobicContact CG-CE3 3.43Å; K196-W206 VanDerWaalsContact CG-CE3 3.43Å; K196-W206 HydrophobicContact CG-CZ3 3.99Å; W206-D210 WeakPolarHBondContact O-CB 3.22Å; W206-D210 PolarHBondContact O-N 2.83Å; W206-D210 VanDerWaalsContact O-N 3.07Å
207W88.4Confident86.9Confident67 Ų6765.8 Ų65.825%0.25435%0.352SS..Hα-helixtrans-62.3-46.3173.8165.685000111.1S174 F175 G204 I205 D210 L211S174-W207 PolarHBondContact O-NE1 2.89Å; F175-W207 HydrophobicContact CD2-CZ2 4.2Å; F175-W207 HydrophobicContact CE2-CZ2 4.42Å; F175-W207 PolarHBondContact O-NE1 3.19Å; G204-W207 WeakPolarHBondContact O-CB 3.45Å; G204-W207 PolarHBondContact O-N 2.04Å; I205-W207 VanDerWaalsContact C-N 3.29Å; I205-W207 PolarHBondContact O-N 3.45Å; W207-D210 PolarHBondContact O-N 3.01Å; W207-L211 HydrophobicContact CH2-CD2 4.28Å; W207-L211 HydrophobicContact CZ2-CD2 4.17Å; W207-L211 WeakPolarHBondContact O-CB 3.44Å; W207-L211 PolarHBondContact O-N 2.95Å
208F90.4Very high87Confident73 Ų7364.9 Ų64.932%0.3236%0.361SS..Hα-helixtrans-65.9-46.3-179.7-176.2-98.3000112.2F21 G204 I205 D210 L211 I212F21-F208 HydrophobicContact CE2-CD1 4.49Å; F21-F208 AromaticContact CZ-CD1 3.71Å; F21-F208 HydrophobicContact CZ-CD1 3.71Å; F21-F208 AromaticContact CZ-CE1 3.91Å; F21-F208 HydrophobicContact CZ-CE1 3.91Å; F21-F208 HydrophobicContact CZ-CG 4.09Å; F21-F208 HydrophobicContact CZ-CZ 4.47Å; G204-F208 PolarHBondContact O-N 3.32Å; G204-F208 VanDerWaalsContact O-N 3.12Å; I205-F208 PolarHBondContact O-N 3.1Å; F208-D210 VanDerWaalsContact C-N 3.29Å; F208-D210 PolarHBondContact O-N 2.82Å; F208-L211 WeakPolarHBondContact O-CB 3.02Å; F208-L211 PolarHBondContact O-N 2.91Å; F208-I212 HydrophobicContact CD1-CG1 4.18Å; F208-I212 HydrophobicContact CE1-CD1 4.34Å; F208-I212 HydrophobicContact CE1-CG1 3.8Å; F208-I212 HydrophobicContact CE2-CD1 4.4Å; F208-I212 HydrophobicContact CZ-CD1 4.01Å; F208-I212 HydrophobicContact CZ-CG1 3.98Å; F208-I212 WeakPolarHBondContact O-CG1 3.45Å; F208-I212 PolarHBondContact O-N 3.07Å
209V91.4Very high87.1Confident69 Ų6958.3 Ų58.342%0.41833%0.327SS..Hα-helixtrans-59.3-42.7177.8171.80000111I205 I212 L213I205-V209 HydrophobicContact CG2-CG2 4.36Å; I205-V209 WeakPolarHBondContact O-CG2 3.36Å; I205-V209 PolarHBondContact O-N 3.5Å; V209-I212 PolarHBondContact O-N 3.2Å; V209-L213 HydrophobicContact CG1-CD1 3.78Å; V209-L213 HydrophobicContact CG1-CG 4.32Å; V209-L213 WeakPolarHBondContact O-CB 3.44Å; V209-L213 WeakPolarHBondContact O-CG 3.37Å; V209-L213 PolarHBondContact O-N 3.14Å
210D91.3Very high87.4Confident4 Ų458.8 Ų58.82%0.02133%0.325CS..Hα-helixtrans-68-37.7178.6-88.427.3000113.2R184 K196 W206 W207 F208 I212 L213 L214R184-D210 WeakPolarHBondContact CG-OD2 3.49Å; R184-D210 IonicContact CZ-OD1 3.29Å; R184-D210 IonicContact CZ-OD2 3.16Å; R184-D210 VanDerWaalsContact CZ-OD2 3.29Å; R184-D210 IonicContact NE-OD1 2.67Å; R184-D210 IonicContact NE-OD2 2.55Å; R184-D210 PolarHBondContact NE-OD2 3.48Å; R184-D210 IonicContact NH2-OD1 2.79Å; R184-D210 PolarHBondContact NH2-OD1 3.3Å; R184-D210 IonicContact NH2-OD2 3.31Å; R184-D210 PolarHBondContact NH2-OD2 3.32Å; R184-D210 VanDerWaalsContact NH2-OD2 3.16Å; K196-D210 VanDerWaalsContact CE-CG 3.45Å; K196-D210 WeakPolarHBondContact CE-OD2 2.97Å; K196-D210 IonicContact NZ-OD2 3.71Å; K196-D210 PolarHBondContact NZ-OD2 3.33Å; W206-D210 WeakPolarHBondContact O-CB 3.22Å; W206-D210 PolarHBondContact O-N 2.83Å; W206-D210 VanDerWaalsContact O-N 3.07Å; W207-D210 PolarHBondContact O-N 3.01Å; F208-D210 VanDerWaalsContact C-N 3.29Å; F208-D210 PolarHBondContact O-N 2.82Å; D210-I212 VanDerWaalsContact C-N 3.31Å; D210-I212 PolarHBondContact O-N 2.88Å; D210-L213 PolarHBondContact O-N 2.83Å; D210-L214 VanDerWaalsContact O-CB 3.3Å; D210-L214 WeakPolarHBondContact O-CB 3.23Å; D210-L214 PolarHBondContact O-N 3.03Å
211L93.3Very high87.9Confident28 Ų2851.2 Ų51.215%0.14729%0.286CS..Hα-helixtrans-59.1-45.1172.1-175.864.6000110.8W207 F208 L214 I215W207-L211 HydrophobicContact CH2-CD2 4.28Å; W207-L211 HydrophobicContact CZ2-CD2 4.17Å; W207-L211 WeakPolarHBondContact O-CB 3.44Å; W207-L211 PolarHBondContact O-N 2.95Å; F208-L211 WeakPolarHBondContact O-CB 3.02Å; F208-L211 PolarHBondContact O-N 2.91Å; L211-L214 PolarHBondContact O-N 2.77Å; L211-I215 WeakPolarHBondContact O-CG1 3.06Å; L211-I215 WeakPolarHBondContact O-CG2 3.39Å; L211-I215 PolarHBondContact O-N 3.18Å; L211-I215 VanDerWaalsContact O-N 3.07Å
212I94.3Very high88.9Confident66 Ų6654 Ų5434%0.33831%0.305SS..Hα-helixtrans-65.4-44.9177.3-61.5-56.6000111.6F208 V209 D210 L214 I215 T216F208-I212 HydrophobicContact CD1-CG1 4.18Å; F208-I212 HydrophobicContact CE1-CD1 4.34Å; F208-I212 HydrophobicContact CE1-CG1 3.8Å; F208-I212 HydrophobicContact CE2-CD1 4.4Å; F208-I212 HydrophobicContact CZ-CD1 4.01Å; F208-I212 HydrophobicContact CZ-CG1 3.98Å; F208-I212 WeakPolarHBondContact O-CG1 3.45Å; F208-I212 PolarHBondContact O-N 3.07Å; V209-I212 PolarHBondContact O-N 3.2Å; D210-I212 VanDerWaalsContact C-N 3.31Å; D210-I212 PolarHBondContact O-N 2.88Å; I212-L214 VanDerWaalsContact C-N 3.31Å; I212-L214 PolarHBondContact O-N 3.43Å; I212-I215 HydrophobicContact CD1-CD1 3.83Å; I212-I215 VanDerWaalsContact O-CG1 3.26Å; I212-I215 WeakPolarHBondContact O-CG1 3.39Å; I212-I215 PolarHBondContact O-N 3.48Å; I212-T216 HydrophobicContact CG2-CG2 4.24Å; I212-T216 WeakPolarHBondContact O-CB 3.07Å; I212-T216 VanDerWaalsContact O-CG2 3.32Å; I212-T216 WeakPolarHBondContact O-CG2 3.15Å; I212-T216 PolarHBondContact O-N 3.35Å; I212-T216 PolarHBondContact O-OG1 3.2Å
213L92.5Very high89.8Confident64 Ų6456.2 Ų56.234%0.33531%0.314SS..Hα-helixtrans-62-38.8178.2-76.3167.9000112.1V209 D210 T216 G217 G218 L219V209-L213 HydrophobicContact CG1-CD1 3.78Å; V209-L213 HydrophobicContact CG1-CG 4.32Å; V209-L213 WeakPolarHBondContact O-CB 3.44Å; V209-L213 WeakPolarHBondContact O-CG 3.37Å; V209-L213 PolarHBondContact O-N 3.14Å; D210-L213 PolarHBondContact O-N 2.83Å; L213-T216 WeakPolarHBondContact CA-OG1 3.21Å; L213-T216 PolarHBondContact O-OG1 3.06Å; L213-G217 PolarHBondContact O-N 3.2Å; L213-G218 WeakPolarHBondContact O-CA 3.28Å; L213-G218 PolarHBondContact O-N 3.44Å; L213-L219 HydrophobicContact CB-CB 4.25Å; L213-L219 PolarHBondContact O-N 3.08Å; L213-L219 VanDerWaalsContact O-N 3.15Å
214L93.4Very high90.2Very high0 Ų055.1 Ų55.10%031%0.309CS..Hα-helixtrans-67.9-49.5178-171140.9000111.6F167 T170 L171 D210 L211 I212 T216 G217 L219F167-L214 HydrophobicContact CD2-CD2 4.22Å; F167-L214 HydrophobicContact CE2-CD2 3.56Å; F167-L214 HydrophobicContact CE2-CG 4.22Å; F167-L214 WeakPolarHBondContact CE2-O 3.3Å; F167-L214 HydrophobicContact CZ-CD2 3.95Å; T170-L214 HydrophobicContact CG2-CD1 3.56Å; L171-L214 HydrophobicContact CB-CD2 3.72Å; L171-L214 HydrophobicContact CD1-CD2 4.2Å; L171-L214 HydrophobicContact CG-CD2 4.05Å; D210-L214 VanDerWaalsContact O-CB 3.3Å; D210-L214 WeakPolarHBondContact O-CB 3.23Å; D210-L214 PolarHBondContact O-N 3.03Å; L211-L214 PolarHBondContact O-N 2.77Å; I212-L214 VanDerWaalsContact C-N 3.31Å; I212-L214 PolarHBondContact O-N 3.43Å; L214-T216 VanDerWaalsContact C-N 3.29Å; L214-T216 PolarHBondContact O-N 3.43Å; L214-G217 PolarHBondContact O-N 3.46Å; L214-G217 VanDerWaalsContact O-N 3.14Å; L214-L219 HydrophobicContact CB-CB 4.49Å; L214-L219 HydrophobicContact CB-CD2 4.34Å; L214-L219 HydrophobicContact CD1-CD2 4.3Å
215I94Very high90.7Very high92 Ų9254.1 Ų54.147%0.47230%0.297SS..Hα-helixtrans-67.7-28.7-17966-178.9000113.2L171 L211 I212 G217L171-I215 HydrophobicContact CD1-CG2 4.22Å; L211-I215 WeakPolarHBondContact O-CG1 3.06Å; L211-I215 WeakPolarHBondContact O-CG2 3.39Å; L211-I215 PolarHBondContact O-N 3.18Å; L211-I215 VanDerWaalsContact O-N 3.07Å; I212-I215 HydrophobicContact CD1-CD1 3.83Å; I212-I215 VanDerWaalsContact O-CG1 3.26Å; I212-I215 WeakPolarHBondContact O-CG1 3.39Å; I212-I215 PolarHBondContact O-N 3.48Å; I215-G217 PolarHBondContact O-N 3.08Å
216T93.1Very high91Very high96 Ų9652.6 Ų52.659%0.58929%0.29SS*.THydrogen-bonded Turntrans-82.2-2.7177.352.70000113I212 L213 L214 G218I212-T216 HydrophobicContact CG2-CG2 4.24Å; I212-T216 WeakPolarHBondContact O-CB 3.07Å; I212-T216 VanDerWaalsContact O-CG2 3.32Å; I212-T216 WeakPolarHBondContact O-CG2 3.15Å; I212-T216 PolarHBondContact O-N 3.35Å; I212-T216 PolarHBondContact O-OG1 3.2Å; L213-T216 WeakPolarHBondContact CA-OG1 3.21Å; L213-T216 PolarHBondContact O-OG1 3.06Å; L214-T216 VanDerWaalsContact C-N 3.29Å; L214-T216 PolarHBondContact O-N 3.43Å; T216-G218 PolarHBondContact O-N 3.06Å
217G88.6Confident91.2Very high19 Ų1949 Ų4920%0.19628%0.276CS..THydrogen-bonded Turntrans75.48.8-178.400000114.3Q126 L213 L214 I215 L219Q126-G217 PolarHBondContact NE2-O 3.28Å; L213-G217 PolarHBondContact O-N 3.2Å; L214-G217 PolarHBondContact O-N 3.46Å; L214-G217 VanDerWaalsContact O-N 3.14Å; I215-G217 PolarHBondContact O-N 3.08Å; G217-L219 PolarHBondContact O-N 3.35Å
218G88.3Confident91.4Very high57 Ų5746.1 Ų46.159%0.58827%0.267SS*.  trans-76.6-9175.300000113.9L213 T216L213-G218 WeakPolarHBondContact O-CA 3.28Å; L213-G218 PolarHBondContact O-N 3.44Å; T216-G218 PolarHBondContact O-N 3.06Å
219L90Very high91.3Very high6 Ų647.9 Ų47.93%0.03128%0.283CS..  trans-117.6109.4175.4-177.259.4000110.3L187 L213 L214 G217 W227L187-L219 HydrophobicContact CD1-CD1 4.2Å; L187-L219 HydrophobicContact CD1-CD2 3.7Å; L187-L219 HydrophobicContact CD1-CG 3.66Å; L213-L219 HydrophobicContact CB-CB 4.25Å; L213-L219 PolarHBondContact O-N 3.08Å; L213-L219 VanDerWaalsContact O-N 3.15Å; L214-L219 HydrophobicContact CB-CB 4.49Å; L214-L219 HydrophobicContact CB-CD2 4.34Å; L214-L219 HydrophobicContact CD1-CD2 4.3Å; G217-L219 PolarHBondContact O-N 3.35Å; L219-W227 WeakPolarHBondContact O-CZ2 3.12Å
220M90.8Very high91Very high81 Ų8151.7 Ų51.740%0.39929%0.291SS..  trans-115.5162.1176-66.8-175.7-64.900110.7Q126 H189Q126-M220 HydrophobicContact CG-SD 4.45Å; H189-M220 PolarHBondContact NE2-O 2.71Å
221P92.1Very high90.3Very high3 Ų360.2 Ų60.22%0.01933%0.325CS..  trans-50.2143.4170.6-29.537.9000112.9H165 L187 D223 N224 S225 W227H165-P221 HydrophobicContact CB-CG 3.83Å; L187-P221 HydrophobicContact CD2-CB 4.32Å; L187-P221 HydrophobicContact CD2-CG 3.87Å; P221-D223 WeakPolarHBondContact CB-OD1 3.47Å; P221-D223 PolarHBondContact O-N 2.68Å; P221-N224 PolarHBondContact O-N 3.46Å; P221-S225 VanDerWaalsContact CB-OG 3.25Å; P221-S225 WeakPolarHBondContact CB-OG 3.26Å; P221-S225 WeakPolarHBondContact CG-OG 3.2Å; P221-W227 HydrophobicContact CG-CZ3 4.38Å
222S91.1Very high90.1Very high62 Ų6261.9 Ų61.943%0.43433%0.334SS..THydrogen-bonded Turntrans-67.1-17.8-176.463.60000114.2L187 G188 N224L187-S222 WeakPolarHBondContact O-CB 3.36Å; L187-S222 PolarHBondContact O-N 3.35Å; L187-S222 PolarHBondContact O-OG 2.88Å; G188-S222 WeakPolarHBondContact CA-OG 3.41Å; S222-N224 VanDerWaalsContact C-N 3.29Å
223D88.4Confident89.9Confident57 Ų5761.6 Ų61.631%0.30533%0.333SS..THydrogen-bonded Turntrans-87.86.7178.666.3-19.9000113.3T163 P221 S225T163-D223 VanDerWaalsContact CB-OD2 3.29Å; T163-D223 WeakPolarHBondContact CB-OD2 3.43Å; T163-D223 WeakPolarHBondContact CG2-OD2 3.25Å; T163-D223 PolarHBondContact OG1-OD2 3.32Å; P221-D223 WeakPolarHBondContact CB-OD1 3.47Å; P221-D223 PolarHBondContact O-N 2.68Å; D223-S225 VanDerWaalsContact CG-OG 3.29Å; D223-S225 PolarHBondContact O-N 3.48Å; D223-S225 VanDerWaalsContact OD1-CB 3.32Å; D223-S225 WeakPolarHBondContact OD1-CB 3.36Å; D223-S225 PolarHBondContact OD1-N 3.25Å; D223-S225 PolarHBondContact OD1-OG 2.88Å; D223-S225 WeakPolarHBondContact OD2-CB 3.37Å; D223-S225 PolarHBondContact OD2-OG 3.43Å
224N87.3Confident89.8Confident106 Ų10661.5 Ų61.557%0.56733%0.333SS*.  trans57.425.1-175.2-56.2-62.6000113.7P221 S222P221-N224 PolarHBondContact O-N 3.46Å; S222-N224 VanDerWaalsContact C-N 3.29Å
225S91.1Very high89.5Confident4 Ų465.1 Ų65.13%0.02835%0.353CS..PPolyproline II helixtrans-74.3156170.762.40000111.7K161 T163 P221 D223K161-S225 CarbonylContact O-C 3.54Å; K161-S225 VanDerWaalsContact O-CA 3.29Å; K161-S225 WeakPolarHBondContact O-CA 3.49Å; K161-S225 VanDerWaalsContact O-CB 3.3Å; K161-S225 WeakPolarHBondContact O-CB 3.16Å; T163-S225 VanDerWaalsContact OG1-CB 3.25Å; T163-S225 WeakPolarHBondContact OG1-CB 3.02Å; T163-S225 PolarHBondContact OG1-OG 3.14Å; P221-S225 VanDerWaalsContact CB-OG 3.25Å; P221-S225 WeakPolarHBondContact CB-OG 3.26Å; P221-S225 WeakPolarHBondContact CG-OG 3.2Å; D223-S225 VanDerWaalsContact CG-OG 3.29Å; D223-S225 PolarHBondContact O-N 3.48Å; D223-S225 VanDerWaalsContact OD1-CB 3.32Å; D223-S225 WeakPolarHBondContact OD1-CB 3.36Å; D223-S225 PolarHBondContact OD1-N 3.25Å; D223-S225 PolarHBondContact OD1-OG 2.88Å; D223-S225 WeakPolarHBondContact OD2-CB 3.37Å; D223-S225 PolarHBondContact OD2-OG 3.43Å
226N92.4Very high89.3Confident40 Ų4063.4 Ų63.421%0.21435%0.345CS..EExtended strand (participates in β ladder)trans-88.1160.9173.9-161.3-86.2000111G125 K161 Y162 C228G125-N226 PolarHBondContact O-ND2 3.01Å; K161-N226 PolarHBondContact O-N 2.79Å; Y162-N226 HydrophobicContact CD1-CB 4.23Å; Y162-N226 HydrophobicContact CE1-CB 3.87Å; N226-C228 PolarHBondContact O-N 3.09Å
227W92.3Very high89Confident34 Ų3461.3 Ų61.313%0.12933%0.329CS..EExtended strand (participates in β ladder)trans-68.3128177-61.5111.8000111.2Y162 H165 F167 T170 L187 L219 P221 T229Y162-W227 WeakPolarHBondContact CE1-O 3.31Å; H165-W227 HydrophobicContact CB-CE3 4.25Å; H165-W227 HydrophobicContact CB-CZ3 4.24Å; F167-W227 HydrophobicContact CB-CB 4.22Å; F167-W227 HydrophobicContact CB-CD2 3.83Å; F167-W227 HydrophobicContact CB-CE3 3.96Å; F167-W227 HydrophobicContact CB-CG 3.96Å; F167-W227 HydrophobicContact CD2-CD2 4.16Å; F167-W227 AromaticContact CD2-CE2 3.81Å; F167-W227 HydrophobicContact CD2-CH2 4.45Å; F167-W227 AromaticContact CD2-CZ2 3.97Å; F167-W227 HydrophobicContact CD2-CZ2 3.97Å; T170-W227 HydrophobicContact CG2-CH2 4.29Å; L187-W227 HydrophobicContact CD2-CH2 3.59Å; L187-W227 HydrophobicContact CD2-CZ3 3.82Å; L219-W227 WeakPolarHBondContact O-CZ2 3.12Å; P221-W227 HydrophobicContact CG-CZ3 4.38Å; W227-T229 PolarHBondContact O-N 3.14Å
228C92.7Very high89Confident7 Ų764.3 Ų64.35%0.04734%0.339CS..EExtended strand (participates in β ladder)trans-66.1125.4171.6-60.90000109.2G164 H165 Y166 N226G164-C228 VanDerWaalsContact CA-SG 3.54Å; G164-C228 PolarHBondContact N-SG 3.35Å; G164-C228 VanDerWaalsContact N-SG 3.41Å; H165-C228 PolarHBondContact O-N 3.47Å; Y166-C228 HydrophobicContact CD1-CB 3.66Å; Y166-C228 HydrophobicContact CE1-CB 3.37Å; Y166-C228 HydrophobicContact CG-CB 4.35Å; N226-C228 PolarHBondContact O-N 3.09Å
229T88.6Confident89.1Confident110 Ų11064.8 Ų64.868%0.67532%0.32SS*.  trans-90.6-17-177.653.10000113W227W227-T229 PolarHBondContact O-N 3.14Å
230Y85.9Confident89Confident149 Ų14969.8 Ų69.858%0.58434%0.344SS*.  trans-117.6120.1-17555.2-90.3000111.7Y166Y166-Y230 WeakPolarHBondContact CE1-O 3.3Å; Y166-Y230 PolarHBondContact OH-O 3.03Å
231Y75.6Confident88.9Confident184 Ų18468.7 Ų68.772%0.72234%0.338SS*.  trans-81.20178-68.5-85000112.7Y166 I168Y166-Y231 AromaticContact CD1-CD1 3.69Å; Y166-Y231 HydrophobicContact CD1-CD1 3.69Å; Y166-Y231 AromaticContact CD1-CE1 3.44Å; Y166-Y231 HydrophobicContact CD1-CE1 3.44Å; Y166-Y231 VanDerWaalsContact CD1-CE1 3.44Å; Y166-Y231 HydrophobicContact CD1-CG 4.32Å; Y166-Y231 AromaticContact CD1-CZ 3.85Å; Y166-Y231 AromaticContact CE1-CD1 3.96Å; Y166-Y231 HydrophobicContact CE1-CD1 3.96Å; Y166-Y231 HydrophobicContact CE1-CE1 4.19Å; Y166-Y231 HydrophobicContact CE1-CG 4.34Å; Y166-Y231 HydrophobicContact CG-CD1 4.1Å; Y166-Y231 AromaticContact CG-CE1 3.65Å; Y166-Y231 HydrophobicContact CG-CE1 3.65Å; I168-Y231 WeakPolarHBondContact CB-OH 3.27Å; I168-Y231 WeakPolarHBondContact CG1-OH 3.35Å; I168-Y231 PolarHBondContact N-OH 2.89Å

Retrieved 231 of 231 residues in 839 ms (Link to these results)

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