A0A090D8F9_MACFA Loading...

MHC class II protein

AlphaFold DB , UniProt , Accession A0A090D8F9, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene Mafa-DPA1, Length 260 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
1M49.4Very low51.7Low191 Ų191131.1 Ų131.194%0.94161%0.607SS**  0120.90-132.1157.2-167.800108.1
2R46.3Very low52.4Low182 Ų182124.3 Ų124.369%0.68759%0.59SS**  trans-68.1147.7-173.5-96.3179.4-88-162.7-6.8110.2E4 D5R2-E4 PolarHBondContact O-N 2.89Å; R2-D5 PolarHBondContact O-N 2.86Å
3P51.7Low53.1Low101 Ų101121.2 Ų121.266%0.65658%0.584SS**Hα-helixtrans-57.1-31-179.9-24.133.7000113.5R6 M7P3-R6 PolarHBondContact O-N 3.5Å; P3-M7 PolarHBondContact O-N 3.47Å
4E50.2Low53.8Low129 Ų129118.9 Ų118.960%0.60358%0.575SS**Hα-helixtrans-69.5-38.8-179-61.1-177.7151.400112.4R2 R6 M7 F8R2-E4 PolarHBondContact O-N 2.89Å; E4-R6 VanDerWaalsContact C-N 3.26Å; E4-R6 PolarHBondContact O-N 3.39Å; E4-M7 PolarHBondContact O-N 3.3Å; E4-M7 VanDerWaalsContact O-N 3.17Å; E4-F8 WeakPolarHBondContact O-CD2 3.47Å; E4-F8 PolarHBondContact O-N 2.88Å; E4-F8 VanDerWaalsContact O-N 3.16Å
5D45.2Very low54.4Low82 Ų82119.4 Ų119.444%0.43958%0.581SS.*Hα-helixtrans-62.7-35.1177.4-63.4-35.6000111.9R2 Q9R2-D5 PolarHBondContact O-N 2.86Å; D5-Q9 WeakPolarHBondContact O-CB 3.47Å; D5-Q9 PolarHBondContact O-N 3.49Å; D5-Q9 VanDerWaalsContact O-N 3.1Å
6R52.7Low54.6Low165 Ų165124.3 Ų124.362%0.62359%0.591SS**Hα-helixtrans-65.2-42177-125.8-176.2-69-167-0.8111P3 E4 Q9 T10P3-R6 PolarHBondContact O-N 3.5Å; E4-R6 VanDerWaalsContact C-N 3.26Å; E4-R6 PolarHBondContact O-N 3.39Å; R6-Q9 PolarHBondContact O-N 3.37Å; R6-T10 WeakPolarHBondContact O-CB 3.31Å; R6-T10 PolarHBondContact O-N 3.27Å; R6-T10 PolarHBondContact O-OG1 2.95Å
7M52.2Low54.9Low92 Ų92121.8 Ų121.845%0.45359%0.586SS.*Hα-helixtrans-68-37.9-179.7-170.31756100112.3P3 E4 R11P3-M7 PolarHBondContact O-N 3.47Å; E4-M7 PolarHBondContact O-N 3.3Å; E4-M7 VanDerWaalsContact O-N 3.17Å; M7-R11 WeakPolarHBondContact O-CB 3.39Å; M7-R11 VanDerWaalsContact O-CG 3.31Å; M7-R11 WeakPolarHBondContact O-CG 3.27Å; M7-R11 PolarHBondContact O-N 3.27Å
8F52.6Low55.3Low141 Ų141121 Ų12162%0.61858%0.584SS**Hα-helixtrans-68-41.9175.2-86.1-78.3000112.5E4 R11 A12E4-F8 WeakPolarHBondContact O-CD2 3.47Å; E4-F8 PolarHBondContact O-N 2.88Å; E4-F8 VanDerWaalsContact O-N 3.16Å; F8-R11 PolarHBondContact O-N 2.89Å; F8-A12 WeakPolarHBondContact O-CB 3.42Å; F8-A12 PolarHBondContact O-N 3.44Å
9Q52.4Low55.6Low122 Ų122117.7 Ų117.757%0.5758%0.575SS**Hα-helixtrans-66.2-39.6177.9-165.8163100111.8D5 R6 A12 V13D5-Q9 WeakPolarHBondContact O-CB 3.47Å; D5-Q9 PolarHBondContact O-N 3.49Å; D5-Q9 VanDerWaalsContact O-N 3.1Å; R6-Q9 PolarHBondContact O-N 3.37Å; Q9-A12 PolarHBondContact O-N 2.92Å; Q9-V13 VanDerWaalsContact O-CG2 3.28Å; Q9-V13 WeakPolarHBondContact O-CG2 3.31Å; Q9-V13 PolarHBondContact O-N 3.49Å
10T56.3Low55.7Low80 Ų80117.3 Ų117.349%0.49158%0.575SS.*Hα-helixtrans-65.7-41.3174.9-52.30000112.1R6 V13 I14R6-T10 WeakPolarHBondContact O-CB 3.31Å; R6-T10 PolarHBondContact O-N 3.27Å; R6-T10 PolarHBondContact O-OG1 2.95Å; T10-V13 PolarHBondContact O-N 2.95Å; T10-I14 HydrophobicContact CG2-CD1 3.78Å; T10-I14 HydrophobicContact CG2-CG1 4.43Å; T10-I14 WeakPolarHBondContact O-CB 3.33Å; T10-I14 WeakPolarHBondContact O-CD1 3.33Å; T10-I14 WeakPolarHBondContact O-CG1 3.28Å; T10-I14 PolarHBondContact O-N 3.25Å
11R59.4Low56Low157 Ų157114.4 Ų114.459%0.59257%0.57SS**Hα-helixtrans-64.2-40.3175.8-75.7177.3178.3-170.60.2112.6M7 F8 I14 L15M7-R11 WeakPolarHBondContact O-CB 3.39Å; M7-R11 VanDerWaalsContact O-CG 3.31Å; M7-R11 WeakPolarHBondContact O-CG 3.27Å; M7-R11 PolarHBondContact O-N 3.27Å; F8-R11 PolarHBondContact O-N 2.89Å; R11-I14 PolarHBondContact O-N 2.91Å; R11-L15 VanDerWaalsContact O-CB 3.31Å; R11-L15 WeakPolarHBondContact O-CB 3.32Å; R11-L15 PolarHBondContact O-N 2.9Å
12A60.1Low56.5Low50 Ų50110.4 Ų110.441%0.41355%0.552SS.*Hα-helixtrans-67-39.2177.700000112.5F8 Q9 R16F8-A12 WeakPolarHBondContact O-CB 3.42Å; F8-A12 PolarHBondContact O-N 3.44Å; Q9-A12 PolarHBondContact O-N 2.92Å; A12-R16 WeakPolarHBondContact O-CB 3.41Å; A12-R16 WeakPolarHBondContact O-CG 3.27Å; A12-R16 PolarHBondContact O-N 3.5Å
13V62.2Low57.1Low84 Ų84107.9 Ų107.951%0.50955%0.551SS.*Hα-helixtrans-66.9-45.8175.1172.40000110.8Q9 T10 L15 R16 T17Q9-V13 VanDerWaalsContact O-CG2 3.28Å; Q9-V13 WeakPolarHBondContact O-CG2 3.31Å; Q9-V13 PolarHBondContact O-N 3.49Å; T10-V13 PolarHBondContact O-N 2.95Å; V13-L15 VanDerWaalsContact C-N 3.33Å; V13-L15 PolarHBondContact O-N 2.89Å; V13-R16 PolarHBondContact O-N 3.44Å; V13-T17 WeakPolarHBondContact O-CG2 3.45Å; V13-T17 PolarHBondContact O-N 3.32Å; V13-T17 PolarHBondContact O-OG1 3.02Å; V13-T17 VanDerWaalsContact O-OG1 3.04Å
14I62.4Low57.4Low88 Ų88109.5 Ų109.545%0.45155%0.554SS.*Hα-helixtrans-60.2-43.7177.4-70167.4000111.1T10 R11 T17 L18T10-I14 HydrophobicContact CG2-CD1 3.78Å; T10-I14 HydrophobicContact CG2-CG1 4.43Å; T10-I14 WeakPolarHBondContact O-CB 3.33Å; T10-I14 WeakPolarHBondContact O-CD1 3.33Å; T10-I14 WeakPolarHBondContact O-CG1 3.28Å; T10-I14 PolarHBondContact O-N 3.25Å; R11-I14 PolarHBondContact O-N 2.91Å; I14-T17 VanDerWaalsContact CA-OG1 3.3Å; I14-T17 WeakPolarHBondContact CA-OG1 3.25Å; I14-T17 PolarHBondContact O-N 3.36Å; I14-T17 PolarHBondContact O-OG1 2.95Å; I14-L18 HydrophobicContact CG2-CD1 3.69Å; I14-L18 HydrophobicContact CG2-CG 4.39Å; I14-L18 WeakPolarHBondContact O-CB 3.29Å; I14-L18 VanDerWaalsContact O-CG 3.29Å; I14-L18 WeakPolarHBondContact O-CG 3.44Å; I14-L18 PolarHBondContact O-N 2.89Å
15L62.8Low57.6Low127 Ų127107.3 Ų107.367%0.66555%0.552SS**Hα-helixtrans-64.1-42.5178.8-164.272.7000111.3R11 V13 L18 S19R11-L15 VanDerWaalsContact O-CB 3.31Å; R11-L15 WeakPolarHBondContact O-CB 3.32Å; R11-L15 PolarHBondContact O-N 2.9Å; V13-L15 VanDerWaalsContact C-N 3.33Å; V13-L15 PolarHBondContact O-N 2.89Å; L15-L18 PolarHBondContact O-N 3.47Å; L15-S19 PolarHBondContact O-N 3.44Å; L15-S19 PolarHBondContact O-OG 3.2Å
16R57.6Low58.1Low198 Ų198108.8 Ų108.875%0.74756%0.56SS**Hα-helixtrans-63.5-42.9176-76.6-177.7178-162.5-0.6112.6A12 V13 S19 L20A12-R16 WeakPolarHBondContact O-CB 3.41Å; A12-R16 WeakPolarHBondContact O-CG 3.27Å; A12-R16 PolarHBondContact O-N 3.5Å; V13-R16 PolarHBondContact O-N 3.44Å; R16-S19 VanDerWaalsContact CA-OG 3.31Å; R16-S19 WeakPolarHBondContact CA-OG 3.49Å; R16-S19 PolarHBondContact O-N 3.16Å; R16-S19 PolarHBondContact O-OG 3.43Å; R16-L20 WeakPolarHBondContact O-CB 3.37Å; R16-L20 PolarHBondContact O-N 3.44Å
17T59.1Low57.9Low81 Ų81104.4 Ų104.450%0.49757%0.566SS.*Hα-helixtrans-66.6-37.5176.848.20000112.2V13 I14 L20 A21V13-T17 WeakPolarHBondContact O-CG2 3.45Å; V13-T17 PolarHBondContact O-N 3.32Å; V13-T17 PolarHBondContact O-OG1 3.02Å; V13-T17 VanDerWaalsContact O-OG1 3.04Å; I14-T17 VanDerWaalsContact CA-OG1 3.3Å; I14-T17 WeakPolarHBondContact CA-OG1 3.25Å; I14-T17 PolarHBondContact O-N 3.36Å; I14-T17 PolarHBondContact O-OG1 2.95Å; T17-L20 PolarHBondContact O-N 2.93Å; T17-A21 WeakPolarHBondContact O-CB 3.35Å; T17-A21 PolarHBondContact O-N 3.48Å
18L62.5Low58Low108 Ų108102.5 Ų102.557%0.56557%0.57SS**Hα-helixtrans-68.1-39.9176-76.2165.8000111.9I14 L15 A21 L22I14-L18 HydrophobicContact CG2-CD1 3.69Å; I14-L18 HydrophobicContact CG2-CG 4.39Å; I14-L18 WeakPolarHBondContact O-CB 3.29Å; I14-L18 VanDerWaalsContact O-CG 3.29Å; I14-L18 WeakPolarHBondContact O-CG 3.44Å; I14-L18 PolarHBondContact O-N 2.89Å; L15-L18 PolarHBondContact O-N 3.47Å; L18-A21 PolarHBondContact O-N 3.33Å; L18-L22 WeakPolarHBondContact O-CB 3.45Å; L18-L22 PolarHBondContact O-N 3.1Å
19S61.7Low58.1Low59 Ų59100.6 Ų100.641%0.41358%0.58SS.*Hα-helixtrans-67-36.7174.642.90000112.9L15 R16 L22 L23L15-S19 PolarHBondContact O-N 3.44Å; L15-S19 PolarHBondContact O-OG 3.2Å; R16-S19 VanDerWaalsContact CA-OG 3.31Å; R16-S19 WeakPolarHBondContact CA-OG 3.49Å; R16-S19 PolarHBondContact O-N 3.16Å; R16-S19 PolarHBondContact O-OG 3.43Å; S19-L22 PolarHBondContact O-N 3.17Å; S19-L23 WeakPolarHBondContact O-CB 3.37Å; S19-L23 VanDerWaalsContact O-CG 3.29Å; S19-L23 WeakPolarHBondContact O-CG 3.33Å; S19-L23 PolarHBondContact O-N 2.86Å
20L57.5Low58.5Low109 Ų10998.3 Ų98.357%0.57159%0.59SS**Hα-helixtrans-69-41.4176.2-162.574.5000111.4R16 T17 L22 L23 L24R16-L20 WeakPolarHBondContact O-CB 3.37Å; R16-L20 PolarHBondContact O-N 3.44Å; T17-L20 PolarHBondContact O-N 2.93Å; L20-L22 VanDerWaalsContact C-N 3.34Å; L20-L23 PolarHBondContact O-N 2.81Å; L20-L24 HydrophobicContact CG-CD1 4.31Å; L20-L24 WeakPolarHBondContact O-CB 3.35Å; L20-L24 WeakPolarHBondContact O-CD1 3.21Å; L20-L24 VanDerWaalsContact O-CG 3.26Å; L20-L24 WeakPolarHBondContact O-CG 3.37Å; L20-L24 PolarHBondContact O-N 2.94Å
21A61.6Low59.3Low56 Ų5698.5 Ų98.546%0.46360%0.6SS.*Hα-helixtrans-64.6-38.2174.400000112.1T17 L18 L24 S25T17-A21 WeakPolarHBondContact O-CB 3.35Å; T17-A21 PolarHBondContact O-N 3.48Å; L18-A21 PolarHBondContact O-N 3.33Å; A21-L24 PolarHBondContact O-N 3.25Å; A21-S25 WeakPolarHBondContact O-CB 3.34Å; A21-S25 PolarHBondContact O-N 3.46Å; A21-S25 PolarHBondContact O-OG 3.44Å
22L59.3Low60.4Low107 Ų10798.6 Ų98.656%0.5661%0.61SS**Hα-helixtrans-64.5-47175.2-16970000110.9L18 S19 L20 L24 S25 L26L18-L22 WeakPolarHBondContact O-CB 3.45Å; L18-L22 PolarHBondContact O-N 3.1Å; S19-L22 PolarHBondContact O-N 3.17Å; L20-L22 VanDerWaalsContact C-N 3.34Å; L22-L24 VanDerWaalsContact C-N 3.33Å; L22-L24 PolarHBondContact O-N 3.03Å; L22-S25 WeakPolarHBondContact CA-OG 3.2Å; L22-S25 PolarHBondContact O-N 3.3Å; L22-S25 VanDerWaalsContact O-N 3.1Å; L22-S25 PolarHBondContact O-OG 3.42Å; L22-L26 HydrophobicContact CD1-CD1 4.21Å; L22-L26 HydrophobicContact CG-CD1 3.88Å; L22-L26 WeakPolarHBondContact O-CD1 3.04Å; L22-L26 PolarHBondContact O-N 2.95Å; L22-L26 VanDerWaalsContact O-N 3.12Å
23L59Low61.8Low130 Ų130105.8 Ų105.868%0.68163%0.632SS**Hα-helixtrans-61-39.7176.4-73.3165.2000112.5S19 L20 S25 L26S19-L23 WeakPolarHBondContact O-CB 3.37Å; S19-L23 VanDerWaalsContact O-CG 3.29Å; S19-L23 WeakPolarHBondContact O-CG 3.33Å; S19-L23 PolarHBondContact O-N 2.86Å; L20-L23 PolarHBondContact O-N 2.81Å; L23-S25 VanDerWaalsContact C-N 3.33Å; L23-L26 PolarHBondContact O-N 3.27Å
24L58Low63.2Low135 Ų135104.4 Ų104.471%0.70763%0.63SS**Hα-helixtrans-68.9-29.6174.6-71.1165.7000112.6L20 A21 L22L20-L24 HydrophobicContact CG-CD1 4.31Å; L20-L24 WeakPolarHBondContact O-CB 3.35Å; L20-L24 WeakPolarHBondContact O-CD1 3.21Å; L20-L24 VanDerWaalsContact O-CG 3.26Å; L20-L24 WeakPolarHBondContact O-CG 3.37Å; L20-L24 PolarHBondContact O-N 2.94Å; A21-L24 PolarHBondContact O-N 3.25Å; L22-L24 VanDerWaalsContact C-N 3.33Å; L22-L24 PolarHBondContact O-N 3.03Å
25S55.6Low64.7Low82 Ų82107.4 Ų107.457%0.57365%0.647SS**Hα-helixtrans-80.8-16.7178.571.20000114.6A21 L22 L23 G27A21-S25 WeakPolarHBondContact O-CB 3.34Å; A21-S25 PolarHBondContact O-N 3.46Å; A21-S25 PolarHBondContact O-OG 3.44Å; L22-S25 WeakPolarHBondContact CA-OG 3.2Å; L22-S25 PolarHBondContact O-N 3.3Å; L22-S25 VanDerWaalsContact O-N 3.1Å; L22-S25 PolarHBondContact O-OG 3.42Å; L23-S25 VanDerWaalsContact C-N 3.33Å; S25-G27 VanDerWaalsContact C-N 3.35Å
26L54.3Low66.2Low113 Ų113107.1 Ų107.159%0.59264%0.642SS**THydrogen-bonded Turntrans-81.9-12.3176.9-94.1103.7000113.5L22 L23 G28L22-L26 HydrophobicContact CD1-CD1 4.21Å; L22-L26 HydrophobicContact CG-CD1 3.88Å; L22-L26 WeakPolarHBondContact O-CD1 3.04Å; L22-L26 PolarHBondContact O-N 2.95Å; L22-L26 VanDerWaalsContact O-N 3.12Å; L23-L26 PolarHBondContact O-N 3.27Å; L26-G28 VanDerWaalsContact C-N 3.28Å; L26-G28 PolarHBondContact O-N 3.02Å
27G50.2Low67.9Low73 Ų73101.4 Ų101.475%0.75363%0.628SS**THydrogen-bonded Turntrans-72.378.6174.100000111.4S25S25-G27 VanDerWaalsContact C-N 3.35Å
28G53.8Low69.5Low53 Ų53100.2 Ų100.255%0.54662%0.623SS.*THydrogen-bonded Turntrans152.4-4.6174.300000116.4L26 G30 A31L26-G28 VanDerWaalsContact C-N 3.28Å; L26-G28 PolarHBondContact O-N 3.02Å; G28-G30 PolarHBondContact O-N 3.01Å; G28-A31 PolarHBondContact O-N 3.5Å
29A53.9Low70.9Confident100 Ų10097.3 Ų97.383%0.82661%0.61SS**THydrogen-bonded Turntrans-69.3-1.7-174.700000115.4
30G61.3Low72.4Confident75 Ų75101.8 Ų101.877%0.77362%0.619SS**THydrogen-bonded Turntrans-128.63.8-179.400000115.3G28G28-G30 PolarHBondContact O-N 3.01Å
31A72.5Confident74.2Confident84 Ų8497.3 Ų97.369%0.69460%0.598SS**  trans-77.9129.7-179.600000110.9G28G28-A31 PolarHBondContact O-N 3.5Å
32I83.2Confident75.8Confident158 Ų15896.8 Ų96.881%0.8159%0.589SS**  trans-75.7125.9170.8-63.5170.3000107.4A34I32-A34 PolarHBondContact O-N 3Å
33K89.7Confident77.6Confident202 Ų20292.8 Ų92.888%0.87857%0.567SS**  trans-77.3114.8173.4-173177.8179.6-178.90109.2
34A90.7Very high79.5Confident55 Ų5587.7 Ų87.746%0.45554%0.541SS..  trans-138.6154.6173.500000109.3I32 V37I32-A34 PolarHBondContact O-N 3Å; A34-V37 HydrophobicContact CB-CG2 4.08Å
35D94.7Very high81.3Confident151 Ų15182.4 Ų82.481%0.80751%0.513SS*.SBendtrans-79.3-38.6174.7-63.6-29.4000111
36H94.4Very high83.2Confident121 Ų12182.9 Ų82.956%0.5651%0.513SS*.  trans-141.3151.2176.4-61.5-71.8000110F57 D58H36-F57 HydrophobicContact CB-CE2 4Å; H36-F57 HydrophobicContact CB-CZ 3.76Å; H36-F57 AromaticContact CG-CZ 3.74Å; H36-F57 AromaticContact ND1-CE1 4Å; H36-F57 AromaticContact ND1-CZ 3.69Å; H36-D58 WeakPolarHBondContact CA-OD1 3.38Å; H36-D58 IonicContact CE1-OD2 2.74Å; H36-D58 IonicContact CG-OD2 3.66Å; H36-D58 IonicContact ND1-OD1 3.68Å; H36-D58 IonicContact ND1-OD2 3.71Å; H36-D58 PolarHBondContact ND1-OD2 3.44Å
37V92.8Very high85.1Confident78 Ų7881.7 Ų81.747%0.47350%0.504SS..  trans-127.6124.2179-177.70000109.7A34 D58A34-V37 HydrophobicContact CB-CG2 4.08Å; V37-D58 PolarHBondContact N-OD1 3.05Å; V37-D58 PolarHBondContact O-N 3.07Å
38S93.1Very high87.1Confident55 Ų5588.6 Ų88.639%0.38551%0.507SS..EExtended strand (participates in β ladder)trans-103.3121.5168.4-55.90000109.4E56 F57S38-E56 WeakPolarHBondContact CA-O 3.46Å; S38-F57 WeakPolarHBondContact OG-CD2 3.31Å
39T92.9Very high89Confident47 Ų4788.5 Ų88.529%0.28850%0.497SS..EExtended strand (participates in β ladder)trans-104.5131.3178.9-54.90000109.5A41 F55 E56 P170T39-A41 HydrophobicContact CG2-CB 4.46Å; T39-F55 WeakPolarHBondContact O-CA 3.19Å; T39-E56 PolarHBondContact N-O 3.45Å; T39-E56 PolarHBondContact O-N 3.37Å; T39-P170 HydrophobicContact CG2-CG 3.86Å
40Y92.8Very high91Very high153 Ų15387.4 Ų87.460%0.648%0.48SS*.EExtended strand (participates in β ladder)trans-116.298178.1-57.3-108.2000106.2F55Y40-F55 AromaticContact CD1-CD1 3.71Å; Y40-F55 HydrophobicContact CD1-CD1 3.71Å; Y40-F55 HydrophobicContact CD1-CD2 4.23Å; Y40-F55 AromaticContact CD1-CE1 3.22Å; Y40-F55 HydrophobicContact CD1-CE1 3.22Å; Y40-F55 AromaticContact CD1-CE2 3.72Å; Y40-F55 HydrophobicContact CD1-CE2 3.72Å; Y40-F55 HydrophobicContact CD1-CG 4.22Å; Y40-F55 AromaticContact CD1-CZ 3.2Å; Y40-F55 HydrophobicContact CD1-CZ 3.2Å; Y40-F55 AromaticContact CE1-CD1 3.63Å; Y40-F55 HydrophobicContact CE1-CD1 3.63Å; Y40-F55 AromaticContact CE1-CE1 2.99Å; Y40-F55 HydrophobicContact CE1-CE1 2.99Å; Y40-F55 HydrophobicContact CE1-CE2 4.33Å; Y40-F55 AromaticContact CE1-CZ 3.41Å; Y40-F55 HydrophobicContact CE1-CZ 3.41Å; Y40-F55 VanDerWaalsContact CE1-CZ 3.41Å; Y40-F55 HydrophobicContact CG-CE1 4.42Å; Y40-F55 HydrophobicContact CG-CZ 4.44Å
41A94.1Very high92.7Very high16 Ų1684.4 Ų84.413%0.13245%0.449CS..EExtended strand (participates in β ladder)trans-106.8134.5-174.300000111.2T39 M54 P170T39-A41 HydrophobicContact CG2-CB 4.46Å; A41-M54 HydrophobicContact CB-CG 4.02Å; A41-M54 HydrophobicContact CB-SD 3.81Å; A41-M54 PolarHBondContact N-O 3.33Å; A41-M54 PolarHBondContact O-N 3.01Å; A41-P170 HydrophobicContact CB-CB 4.01Å; A41-P170 HydrophobicContact CB-CG 3.7Å
42T96.3Very high93.9Very high44 Ų4481.5 Ų81.527%0.2742%0.421SS..EExtended strand (participates in β ladder)trans-147.4131.5174.4-500000108.4E52 F53 I94 L97T42-E52 VanDerWaalsContact CA-O 3.23Å; T42-E52 WeakPolarHBondContact CA-O 3.49Å; T42-E52 VanDerWaalsContact CG2-O 3.23Å; T42-E52 WeakPolarHBondContact CG2-O 3.5Å; T42-F53 HydrophobicContact CG2-CB 4.33Å; T42-F53 HydrophobicContact CG2-CD2 3.92Å; T42-F53 WeakPolarHBondContact OG1-CD2 3.46Å; T42-I94 HydrophobicContact CG2-CD1 3.52Å; T42-I94 HydrophobicContact CG2-CG1 4.33Å; T42-L97 HydrophobicContact CG2-CD2 3.72Å
43F96.9Very high94.6Very high23 Ų2374.6 Ų74.610%0.10139%0.385CS..EExtended strand (participates in β ladder)trans-129.7157.3169.675-96.5000110.6Q45 P49 G51 E52 P146 F168 F176F43-Q45 HydrophobicContact CD2-CG 4.35Å; F43-Q45 HydrophobicContact CE2-CG 4.18Å; F43-P49 HydrophobicContact CZ-CG 4.18Å; F43-G51 CarbonylContact O-C 3.53Å; F43-G51 WeakPolarHBondContact O-CA 3.3Å; F43-E52 HydrophobicContact CD1-CB 3.77Å; F43-E52 HydrophobicContact CE1-CB 3.24Å; F43-E52 HydrophobicContact CE1-CG 4.26Å; F43-E52 HydrophobicContact CZ-CB 3.72Å; F43-E52 PolarHBondContact N-O 2.94Å; F43-E52 VanDerWaalsContact N-O 3.14Å; F43-E52 PolarHBondContact O-N 2.9Å; F43-P146 HydrophobicContact CD1-CG 4.18Å; F43-P146 HydrophobicContact CD2-CG 3.69Å; F43-P146 HydrophobicContact CE1-CB 3.99Å; F43-P146 HydrophobicContact CE1-CG 3.95Å; F43-P146 HydrophobicContact CE2-CB 4.14Å; F43-P146 HydrophobicContact CE2-CG 3.45Å; F43-P146 VanDerWaalsContact CE2-CG 3.45Å; F43-P146 HydrophobicContact CG-CG 4.06Å; F43-P146 HydrophobicContact CZ-CB 3.76Å; F43-P146 HydrophobicContact CZ-CG 3.59Å; F43-F168 HydrophobicContact CE1-CB 4.01Å; F43-F168 HydrophobicContact CE1-CD2 4.44Å; F43-F168 HydrophobicContact CE1-CG 4.44Å; F43-F168 HydrophobicContact CZ-CD2 4.28Å; F43-F176 HydrophobicContact CB-CZ 4.32Å; F43-F176 AromaticContact CD1-CE1 3.8Å; F43-F176 HydrophobicContact CD1-CE1 3.8Å; F43-F176 AromaticContact CD1-CZ 3.92Å; F43-F176 HydrophobicContact CD1-CZ 3.92Å; F43-F176 HydrophobicContact CE1-CE1 4.19Å; F43-F176 HydrophobicContact CG-CZ 4.23Å
44V98Very high95Very high24 Ų2465 Ų6515%0.14534%0.344CS..EExtended strand (participates in β ladder)trans-136.8147166.9-660000108.6T50 I94 L97 L101V44-T50 CarbonylContact C-O 3.59Å; V44-T50 VanDerWaalsContact CA-O 3.28Å; V44-T50 WeakPolarHBondContact CA-O 3.28Å; V44-I94 HydrophobicContact CG1-CD1 3.95Å; V44-I94 HydrophobicContact CG1-CG2 4.34Å; V44-L97 HydrophobicContact CB-CB 4.42Å; V44-L97 HydrophobicContact CG1-CB 3.74Å; V44-L97 HydrophobicContact CG1-CD2 4.41Å; V44-L97 HydrophobicContact CG2-CB 3.76Å; V44-L97 HydrophobicContact CG2-CD2 4.39Å; V44-L101 HydrophobicContact CB-CD2 4.42Å; V44-L101 HydrophobicContact CG2-CB 3.86Å; V44-L101 HydrophobicContact CG2-CD2 3.96Å; V44-L101 HydrophobicContact CG2-CG 4.43Å
45Q97Very high95.2Very high23 Ų2364 Ų6411%0.10733%0.329CS..  trans-151.2167178.861.6-179.813.300110.9F43 H47 P49 T50 P146F43-Q45 HydrophobicContact CD2-CG 4.35Å; F43-Q45 HydrophobicContact CE2-CG 4.18Å; Q45-H47 VanDerWaalsContact C-N 3.29Å; Q45-H47 WeakPolarHBondContact CG-O 3.37Å; Q45-H47 PolarHBondContact O-N 3.31Å; Q45-P49 WeakPolarHBondContact CG-O 3.28Å; Q45-P49 PolarHBondContact NE2-O 2.99Å; Q45-T50 PolarHBondContact N-O 3.37Å; Q45-P146 PolarHBondContact NE2-O 3.08Å
46T95.7Very high95.2Very high93 Ų9357.1 Ų57.157%0.57129%0.292SS*.SBendtrans-80-10.2-178.649.30000113.9L101 I105T46-L101 HydrophobicContact CG2-CD2 4.36Å; T46-I105 HydrophobicContact CG2-CD1 4.01Å
47H93.3Very high95.2Very high87 Ų8755.3 Ų55.340%0.40328%0.282SS..SBendtrans-110.1170.6-179.2-60.9-76000111.1Q45 P49 T50 W199Q45-H47 VanDerWaalsContact C-N 3.29Å; Q45-H47 WeakPolarHBondContact CG-O 3.37Å; Q45-H47 PolarHBondContact O-N 3.31Å; H47-P49 CarbonylContact O-C 3.49Å; H47-T50 VanDerWaalsContact O-CA 3.23Å; H47-T50 WeakPolarHBondContact O-CA 3.42Å; H47-T50 PolarHBondContact O-N 3.5Å; H47-W199 HydrophobicContact CB-CH2 3.55Å; H47-W199 HydrophobicContact CB-CZ2 4.18Å; H47-W199 AromaticContact CD2-CH2 3.42Å; H47-W199 VanDerWaalsContact CD2-CH2 3.42Å; H47-W199 WeakPolarHBondContact CD2-CH2 3.33Å; H47-W199 AromaticContact CD2-CZ3 3.84Å; H47-W199 AromaticContact CG-CH2 3.36Å; H47-W199 AromaticContact ND1-CH2 3.96Å
48R92.4Very high95.2Very high219 Ų21954.5 Ų54.583%0.82628%0.275SS*.SBendtrans-87139175.8-73.2-169175.9-155.6-2.9111.1T50R48-T50 HydrophobicContact CG-CG2 4.32Å
49P94.1Very high95Very high50 Ų5060 Ų6033%0.32530%0.295SS..SBendcis-66.4140.3-6.330.3-36.8000111.9F43 Q45 H47 G51 F168F43-P49 HydrophobicContact CZ-CG 4.18Å; Q45-P49 WeakPolarHBondContact CG-O 3.28Å; Q45-P49 PolarHBondContact NE2-O 2.99Å; H47-P49 CarbonylContact O-C 3.49Å; P49-G51 PolarHBondContact O-N 3.5Å; P49-F168 HydrophobicContact CG-CD2 4.29Å; P49-F168 HydrophobicContact CG-CE2 3.67Å; P49-F168 HydrophobicContact CG-CZ 4.3Å
50T95.4Very high94.8Very high78 Ų7863.5 Ų63.548%0.47931%0.312SS..  trans-74.7-13.8-172.848.50000113.8V44 Q45 H47 R48V44-T50 CarbonylContact C-O 3.59Å; V44-T50 VanDerWaalsContact CA-O 3.28Å; V44-T50 WeakPolarHBondContact CA-O 3.28Å; Q45-T50 PolarHBondContact N-O 3.37Å; H47-T50 VanDerWaalsContact O-CA 3.23Å; H47-T50 WeakPolarHBondContact O-CA 3.42Å; H47-T50 PolarHBondContact O-N 3.5Å; R48-T50 HydrophobicContact CG-CG2 4.32Å
51G96.7Very high94.8Very high11 Ų1157.1 Ų57.111%0.11329%0.288CS..EExtended strand (participates in β ladder)trans173.3168.9175.100000111.2F43 P49 L67F43-G51 CarbonylContact O-C 3.53Å; F43-G51 WeakPolarHBondContact O-CA 3.3Å; P49-G51 PolarHBondContact O-N 3.5Å; G51-L67 WeakPolarHBondContact O-CD1 3.23Å
52E97.9Very high94.8Very high23 Ų2358.2 Ų58.211%0.10729%0.29CS..EExtended strand (participates in β ladder)trans-146.7148.7178.9-167.9172.781.700108.6T42 F43 L167 F168T42-E52 VanDerWaalsContact CA-O 3.23Å; T42-E52 WeakPolarHBondContact CA-O 3.49Å; T42-E52 VanDerWaalsContact CG2-O 3.23Å; T42-E52 WeakPolarHBondContact CG2-O 3.5Å; F43-E52 HydrophobicContact CD1-CB 3.77Å; F43-E52 HydrophobicContact CE1-CB 3.24Å; F43-E52 HydrophobicContact CE1-CG 4.26Å; F43-E52 HydrophobicContact CZ-CB 3.72Å; F43-E52 PolarHBondContact N-O 2.94Å; F43-E52 VanDerWaalsContact N-O 3.14Å; F43-E52 PolarHBondContact O-N 2.9Å; E52-L167 HydrophobicContact CG-CD2 4.47Å; E52-L167 WeakPolarHBondContact OE2-CD2 3.25Å; E52-F168 PolarHBondContact OE1-N 3.31Å; E52-F168 VanDerWaalsContact OE1-N 3.15Å; E52-F168 PolarHBondContact OE2-N 3.25Å
53F97.9Very high94.8Very high14 Ų1456.5 Ų56.56%0.06128%0.279CS..EExtended strand (participates in β ladder)trans-136.8118.9176-179.6-80000108.4T42 F55 F63 Y64 V65 F85 N93 I94T42-F53 HydrophobicContact CG2-CB 4.33Å; T42-F53 HydrophobicContact CG2-CD2 3.92Å; T42-F53 WeakPolarHBondContact OG1-CD2 3.46Å; F53-F55 AromaticContact CE1-CD2 3.95Å; F53-F55 HydrophobicContact CE1-CD2 3.95Å; F53-F55 AromaticContact CE1-CE2 3.53Å; F53-F55 HydrophobicContact CE1-CE2 3.53Å; F53-F55 HydrophobicContact CZ-CD2 4.39Å; F53-F55 AromaticContact CZ-CE2 3.59Å; F53-F55 HydrophobicContact CZ-CE2 3.59Å; F53-F55 HydrophobicContact CZ-CZ 4.5Å; F53-F63 HydrophobicContact CE1-CE2 4.36Å; F53-Y64 VanDerWaalsContact O-CA 3.28Å; F53-Y64 WeakPolarHBondContact O-CA 3.4Å; F53-Y64 VanDerWaalsContact O-CB 3.3Å; F53-Y64 WeakPolarHBondContact O-CB 3.42Å; F53-V65 HydrophobicContact CB-CB 4.45Å; F53-V65 HydrophobicContact CD1-CB 4.13Å; F53-V65 HydrophobicContact CD1-CG2 3.63Å; F53-V65 HydrophobicContact CE1-CG2 4.07Å; F53-V65 HydrophobicContact CG-CG2 4.49Å; F53-V65 PolarHBondContact O-N 3.44Å; F53-F85 AromaticContact CE1-CE1 3.73Å; F53-F85 HydrophobicContact CE1-CE1 3.73Å; F53-F85 HydrophobicContact CE1-CE2 4.45Å; F53-F85 AromaticContact CE1-CZ 3.55Å; F53-F85 HydrophobicContact CE1-CZ 3.55Å; F53-F85 HydrophobicContact CZ-CE1 4.27Å; F53-F85 HydrophobicContact CZ-CE2 4.49Å; F53-F85 AromaticContact CZ-CZ 3.67Å; F53-F85 HydrophobicContact CZ-CZ 3.67Å; F53-N93 HydrophobicContact CD2-CB 4.19Å; F53-N93 HydrophobicContact CE2-CB 3.92Å; F53-I94 HydrophobicContact CB-CD1 4.39Å; F53-I94 HydrophobicContact CB-CG1 4.33Å
54M97.1Very high94.8Very high1 Ų158.1 Ų58.11%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-152.2160.7-171.566.79579.300112.7A41 E56 E61 F63 L167 L169A41-M54 HydrophobicContact CB-CG 4.02Å; A41-M54 HydrophobicContact CB-SD 3.81Å; A41-M54 PolarHBondContact N-O 3.33Å; A41-M54 PolarHBondContact O-N 3.01Å; M54-E56 HydrophobicContact CE-CG 3.76Å; M54-E56 HydrophobicContact SD-CG 3.69Å; M54-E61 HydrophobicContact CE-CG 4.43Å; M54-F63 WeakPolarHBondContact CA-O 3.44Å; M54-L167 HydrophobicContact CB-CD1 3.79Å; M54-L167 HydrophobicContact CE-CB 4.31Å; M54-L167 HydrophobicContact CE-CD1 4.13Å; M54-L167 HydrophobicContact CG-CD1 4.47Å; M54-L169 HydrophobicContact CE-CD2 3.5Å; M54-L169 VanDerWaalsContact CE-CD2 3.5Å
55F96.1Very high94.8Very high33 Ų3357.2 Ų57.215%0.14528%0.279CS..EExtended strand (participates in β ladder)trans-128.5136.8-179.7-86.5-129.5000110.1T39 Y40 F53 Q62 F63 F85T39-F55 WeakPolarHBondContact O-CA 3.19Å; Y40-F55 AromaticContact CD1-CD1 3.71Å; Y40-F55 HydrophobicContact CD1-CD1 3.71Å; Y40-F55 HydrophobicContact CD1-CD2 4.23Å; Y40-F55 AromaticContact CD1-CE1 3.22Å; Y40-F55 HydrophobicContact CD1-CE1 3.22Å; Y40-F55 AromaticContact CD1-CE2 3.72Å; Y40-F55 HydrophobicContact CD1-CE2 3.72Å; Y40-F55 HydrophobicContact CD1-CG 4.22Å; Y40-F55 AromaticContact CD1-CZ 3.2Å; Y40-F55 HydrophobicContact CD1-CZ 3.2Å; Y40-F55 AromaticContact CE1-CD1 3.63Å; Y40-F55 HydrophobicContact CE1-CD1 3.63Å; Y40-F55 AromaticContact CE1-CE1 2.99Å; Y40-F55 HydrophobicContact CE1-CE1 2.99Å; Y40-F55 HydrophobicContact CE1-CE2 4.33Å; Y40-F55 AromaticContact CE1-CZ 3.41Å; Y40-F55 HydrophobicContact CE1-CZ 3.41Å; Y40-F55 VanDerWaalsContact CE1-CZ 3.41Å; Y40-F55 HydrophobicContact CG-CE1 4.42Å; Y40-F55 HydrophobicContact CG-CZ 4.44Å; F53-F55 AromaticContact CE1-CD2 3.95Å; F53-F55 HydrophobicContact CE1-CD2 3.95Å; F53-F55 AromaticContact CE1-CE2 3.53Å; F53-F55 HydrophobicContact CE1-CE2 3.53Å; F53-F55 HydrophobicContact CZ-CD2 4.39Å; F53-F55 AromaticContact CZ-CE2 3.59Å; F53-F55 HydrophobicContact CZ-CE2 3.59Å; F53-F55 HydrophobicContact CZ-CZ 4.5Å; F55-Q62 PolarHBondContact O-N 3.46Å; F55-F63 HydrophobicContact CB-CD1 3.91Å; F55-F63 HydrophobicContact CB-CE1 3.57Å; F55-F63 HydrophobicContact CB-CE2 4.43Å; F55-F63 HydrophobicContact CB-CG 4.47Å; F55-F63 HydrophobicContact CB-CZ 3.86Å; F55-F63 AromaticContact CD1-CE1 3.59Å; F55-F63 HydrophobicContact CD1-CE1 3.59Å; F55-F63 AromaticContact CD1-CZ 3.67Å; F55-F63 HydrophobicContact CD1-CZ 3.67Å; F55-F63 AromaticContact CD2-CE1 4Å; F55-F63 HydrophobicContact CD2-CE1 4Å; F55-F63 AromaticContact CD2-CE2 3.8Å; F55-F63 HydrophobicContact CD2-CE2 3.8Å; F55-F63 AromaticContact CD2-CZ 3.38Å; F55-F63 HydrophobicContact CD2-CZ 3.38Å; F55-F63 HydrophobicContact CE1-CE1 4.11Å; F55-F63 AromaticContact CE1-CZ 3.86Å; F55-F63 HydrophobicContact CE1-CZ 3.86Å; F55-F63 HydrophobicContact CE2-CE2 4.21Å; F55-F63 AromaticContact CE2-CZ 3.69Å; F55-F63 HydrophobicContact CE2-CZ 3.69Å; F55-F63 HydrophobicContact CG-CD1 4.31Å; F55-F63 AromaticContact CG-CE1 3.48Å; F55-F63 HydrophobicContact CG-CE1 3.48Å; F55-F63 VanDerWaalsContact CG-CE1 3.48Å; F55-F63 HydrophobicContact CG-CE2 4.14Å; F55-F63 AromaticContact CG-CZ 3.38Å; F55-F63 HydrophobicContact CG-CZ 3.38Å; F55-F63 AromaticContact CZ-CZ 3.9Å; F55-F63 HydrophobicContact CZ-CZ 3.9Å; F55-F63 PolarHBondContact N-O 2.89Å; F55-F85 HydrophobicContact CE2-CE2 4.32Å; F55-F85 HydrophobicContact CZ-CE2 4.05Å
56E94.3Very high94.8Very high7 Ų757.3 Ų57.33%0.03328%0.281CS..EExtended strand (participates in β ladder)trans-124.1153.8173.4-56.9172.7143.100111S38 T39 M54 D60 L169 P170S38-E56 WeakPolarHBondContact CA-O 3.46Å; T39-E56 PolarHBondContact N-O 3.45Å; T39-E56 PolarHBondContact O-N 3.37Å; M54-E56 HydrophobicContact CE-CG 3.76Å; M54-E56 HydrophobicContact SD-CG 3.69Å; E56-D60 CarbonylContact C-O 3.52Å; E56-D60 WeakPolarHBondContact CA-O 3.47Å; E56-D60 WeakPolarHBondContact CB-O 3.33Å; E56-L169 WeakPolarHBondContact OE1-CD2 3.31Å; E56-P170 WeakPolarHBondContact OE1-CD 3.38Å; E56-P170 WeakPolarHBondContact OE2-CG 3.19Å
57F93.6Very high94.9Very high82 Ų8254.8 Ų54.836%0.3626%0.263SS..EExtended strand (participates in β ladder)trans-132.2121.4168-176.7-93.6000108.7H36 S38 E59 D60 Q62H36-F57 HydrophobicContact CB-CE2 4Å; H36-F57 HydrophobicContact CB-CZ 3.76Å; H36-F57 AromaticContact CG-CZ 3.74Å; H36-F57 AromaticContact ND1-CE1 4Å; H36-F57 AromaticContact ND1-CZ 3.69Å; S38-F57 WeakPolarHBondContact OG-CD2 3.31Å; F57-E59 VanDerWaalsContact C-N 3.26Å; F57-E59 PolarHBondContact O-N 2.92Å; F57-D60 PolarHBondContact N-O 2.92Å; F57-D60 PolarHBondContact O-N 2.99Å; F57-Q62 HydrophobicContact CB-CG 4.01Å
58D92.9Very high94.9Very high61 Ų6158 Ų5833%0.32628%0.284SS..THydrogen-bonded Turntrans50.344.6-176.9-65-15.2000113.4H36 V37 D60H36-D58 WeakPolarHBondContact CA-OD1 3.38Å; H36-D58 IonicContact CE1-OD2 2.74Å; H36-D58 IonicContact CG-OD2 3.66Å; H36-D58 IonicContact ND1-OD1 3.68Å; H36-D58 IonicContact ND1-OD2 3.71Å; H36-D58 PolarHBondContact ND1-OD2 3.44Å; V37-D58 PolarHBondContact N-OD1 3.05Å; V37-D58 PolarHBondContact O-N 3.07Å; D58-D60 PolarHBondContact O-N 2.85Å
59E89.1Confident95.1Very high171 Ų17154 Ų5480%0.79927%0.272SS*.THydrogen-bonded Turntrans72.32.5179.9-50.9176.9-174.400115.3F57F57-E59 VanDerWaalsContact C-N 3.26Å; F57-E59 PolarHBondContact O-N 2.92Å
60D89.6Confident95.3Very high120 Ų12058.4 Ų58.464%0.64229%0.286SS*.EExtended strand (participates in β ladder)trans-97.5132.2172.6-70.9-49.5000111.6E56 F57 D58 Q62E56-D60 CarbonylContact C-O 3.52Å; E56-D60 WeakPolarHBondContact CA-O 3.47Å; E56-D60 WeakPolarHBondContact CB-O 3.33Å; F57-D60 PolarHBondContact N-O 2.92Å; F57-D60 PolarHBondContact O-N 2.99Å; D58-D60 PolarHBondContact O-N 2.85Å; D60-Q62 PolarHBondContact O-N 3.33Å
61E92.5Very high95.4Very high19 Ų1959 Ų599%0.08928%0.284CS..EExtended strand (participates in β ladder)trans-62.2126.2174.5-171.5-167.3146.500110.4M54 Y64 H75 L167M54-E61 HydrophobicContact CE-CG 4.43Å; E61-Y64 WeakPolarHBondContact OE1-CD1 3.49Å; E61-H75 HydrophobicContact CB-CB 4.37Å; E61-H75 HydrophobicContact CG-CB 4.3Å; E61-H75 WeakPolarHBondContact O-CB 3.3Å; E61-H75 IonicContact OE2-ND1 3.23Å; E61-L167 VanDerWaalsContact CD-CD1 3.48Å; E61-L167 HydrophobicContact CG-CD1 4.14Å; E61-L167 VanDerWaalsContact OE1-CD1 3.32Å; E61-L167 WeakPolarHBondContact OE1-CD1 2.91Å
62Q94.3Very high95.4Very high39 Ų3959.9 Ų59.918%0.18229%0.287CS..EExtended strand (participates in β ladder)trans-93.9-54172.7-70.8-17183.200111.6F55 F57 D60 H75F55-Q62 PolarHBondContact O-N 3.46Å; F57-Q62 HydrophobicContact CB-CG 4.01Å; D60-Q62 PolarHBondContact O-N 3.33Å; Q62-H75 WeakPolarHBondContact O-CB 3.48Å; Q62-H75 PolarHBondContact O-N 2.93Å
63F96.3Very high95.4Very high8 Ų860.5 Ų60.54%0.03529%0.292CS..EExtended strand (participates in β ladder)trans-161.7164.2-179.472.5-93000111.7F53 M54 F55 T72 V73 W74 F85F53-F63 HydrophobicContact CE1-CE2 4.36Å; M54-F63 WeakPolarHBondContact CA-O 3.44Å; F55-F63 HydrophobicContact CB-CD1 3.91Å; F55-F63 HydrophobicContact CB-CE1 3.57Å; F55-F63 HydrophobicContact CB-CE2 4.43Å; F55-F63 HydrophobicContact CB-CG 4.47Å; F55-F63 HydrophobicContact CB-CZ 3.86Å; F55-F63 AromaticContact CD1-CE1 3.59Å; F55-F63 HydrophobicContact CD1-CE1 3.59Å; F55-F63 AromaticContact CD1-CZ 3.67Å; F55-F63 HydrophobicContact CD1-CZ 3.67Å; F55-F63 AromaticContact CD2-CE1 4Å; F55-F63 HydrophobicContact CD2-CE1 4Å; F55-F63 AromaticContact CD2-CE2 3.8Å; F55-F63 HydrophobicContact CD2-CE2 3.8Å; F55-F63 AromaticContact CD2-CZ 3.38Å; F55-F63 HydrophobicContact CD2-CZ 3.38Å; F55-F63 HydrophobicContact CE1-CE1 4.11Å; F55-F63 AromaticContact CE1-CZ 3.86Å; F55-F63 HydrophobicContact CE1-CZ 3.86Å; F55-F63 HydrophobicContact CE2-CE2 4.21Å; F55-F63 AromaticContact CE2-CZ 3.69Å; F55-F63 HydrophobicContact CE2-CZ 3.69Å; F55-F63 HydrophobicContact CG-CD1 4.31Å; F55-F63 AromaticContact CG-CE1 3.48Å; F55-F63 HydrophobicContact CG-CE1 3.48Å; F55-F63 VanDerWaalsContact CG-CE1 3.48Å; F55-F63 HydrophobicContact CG-CE2 4.14Å; F55-F63 AromaticContact CG-CZ 3.38Å; F55-F63 HydrophobicContact CG-CZ 3.38Å; F55-F63 AromaticContact CZ-CZ 3.9Å; F55-F63 HydrophobicContact CZ-CZ 3.9Å; F55-F63 PolarHBondContact N-O 2.89Å; F63-T72 HydrophobicContact CB-CG2 4.17Å; F63-T72 HydrophobicContact CD2-CG2 3.61Å; F63-T72 HydrophobicContact CE2-CG2 4.24Å; F63-T72 HydrophobicContact CG-CG2 4.02Å; F63-V73 CarbonylContact C-O 3.53Å; F63-V73 WeakPolarHBondContact CA-O 3.31Å; F63-V73 WeakPolarHBondContact CB-O 3.5Å; F63-W74 HydrophobicContact CB-CD2 3.96Å; F63-W74 HydrophobicContact CB-CE3 3.7Å; F63-W74 HydrophobicContact CB-CG 4.42Å; F63-W74 HydrophobicContact CB-CZ3 4.08Å; F63-W74 HydrophobicContact CD1-CE3 4.03Å; F63-W74 AromaticContact CD1-CH2 3.76Å; F63-W74 HydrophobicContact CD1-CH2 3.76Å; F63-W74 AromaticContact CD1-CZ3 3.49Å; F63-W74 HydrophobicContact CD1-CZ3 3.49Å; F63-W74 VanDerWaalsContact CD1-CZ3 3.49Å; F63-W74 HydrophobicContact CE1-CH2 4.2Å; F63-W74 HydrophobicContact CE1-CZ3 4.28Å; F63-W74 HydrophobicContact CG-CE3 4.22Å; F63-W74 HydrophobicContact CG-CH2 4.34Å; F63-W74 HydrophobicContact CG-CZ3 4.1Å; F63-F85 HydrophobicContact CD2-CD1 4.36Å; F63-F85 HydrophobicContact CD2-CG 4.5Å; F63-F85 HydrophobicContact CE1-CB 4.34Å; F63-F85 HydrophobicContact CE1-CG 4.47Å; F63-F85 HydrophobicContact CE2-CB 3.92Å; F63-F85 AromaticContact CE2-CD1 3.49Å; F63-F85 HydrophobicContact CE2-CD1 3.49Å; F63-F85 VanDerWaalsContact CE2-CD1 3.49Å; F63-F85 HydrophobicContact CE2-CD2 4.02Å; F63-F85 AromaticContact CE2-CE1 3.97Å; F63-F85 HydrophobicContact CE2-CE1 3.97Å; F63-F85 HydrophobicContact CE2-CE2 4.44Å; F63-F85 AromaticContact CE2-CG 3.52Å; F63-F85 HydrophobicContact CE2-CG 3.52Å; F63-F85 HydrophobicContact CE2-CZ 4.43Å; F63-F85 HydrophobicContact CZ-CB 3.8Å; F63-F85 AromaticContact CZ-CD1 3.97Å; F63-F85 HydrophobicContact CZ-CD1 3.97Å; F63-F85 AromaticContact CZ-CD2 3.61Å; F63-F85 HydrophobicContact CZ-CD2 3.61Å; F63-F85 HydrophobicContact CZ-CE1 4.48Å; F63-F85 HydrophobicContact CZ-CE2 4.16Å; F63-F85 AromaticContact CZ-CG 3.5Å; F63-F85 HydrophobicContact CZ-CG 3.5Å
64Y97.6Very high95.3Very high58 Ų5862.3 Ų62.323%0.22730%0.298CS..EExtended strand (participates in β ladder)trans-134.9170166.570.7-82.2000111.9F53 E61 D66 V73 L167F53-Y64 VanDerWaalsContact O-CA 3.28Å; F53-Y64 WeakPolarHBondContact O-CA 3.4Å; F53-Y64 VanDerWaalsContact O-CB 3.3Å; F53-Y64 WeakPolarHBondContact O-CB 3.42Å; E61-Y64 WeakPolarHBondContact OE1-CD1 3.49Å; Y64-D66 HydrophobicContact CE2-CB 4.02Å; Y64-V73 HydrophobicContact CD1-CB 3.91Å; Y64-V73 HydrophobicContact CD1-CG1 4.21Å; Y64-V73 HydrophobicContact CE1-CB 3.46Å; Y64-V73 VanDerWaalsContact CE1-CB 3.46Å; Y64-V73 HydrophobicContact CE1-CG1 3.42Å; Y64-V73 VanDerWaalsContact CE1-CG1 3.42Å; Y64-V73 HydrophobicContact CE1-CG2 4.24Å; Y64-V73 HydrophobicContact CE2-CB 4.11Å; Y64-V73 HydrophobicContact CE2-CG2 4.08Å; Y64-V73 HydrophobicContact CG-CB 4.42Å; Y64-V73 PolarHBondContact N-O 2.91Å; Y64-V73 PolarHBondContact O-N 3.34Å; Y64-L167 HydrophobicContact CD1-CD1 3.65Å; Y64-L167 HydrophobicContact CD1-CD2 4.02Å; Y64-L167 HydrophobicContact CD1-CG 4.2Å; Y64-L167 HydrophobicContact CD2-CD2 4.06Å; Y64-L167 HydrophobicContact CE1-CD2 4.3Å; Y64-L167 HydrophobicContact CE2-CD2 4.37Å; Y64-L167 HydrophobicContact CG-CD1 3.62Å; Y64-L167 HydrophobicContact CG-CD2 3.89Å; Y64-L167 HydrophobicContact CG-CG 4.31Å
65V98.1Very high95.1Very high5 Ų567.3 Ų67.33%0.0332%0.321CS..EExtended strand (participates in β ladder)trans-103.2116.1170.71780000109F53 L67 E71 F85 A87 L91F53-V65 HydrophobicContact CB-CB 4.45Å; F53-V65 HydrophobicContact CD1-CB 4.13Å; F53-V65 HydrophobicContact CD1-CG2 3.63Å; F53-V65 HydrophobicContact CE1-CG2 4.07Å; F53-V65 HydrophobicContact CG-CG2 4.49Å; F53-V65 PolarHBondContact O-N 3.44Å; V65-L67 HydrophobicContact CB-CD2 4.48Å; V65-L67 HydrophobicContact CG1-CD2 4.17Å; V65-L67 PolarHBondContact O-N 3.01Å; V65-L67 VanDerWaalsContact O-N 3.11Å; V65-E71 WeakPolarHBondContact CA-O 3.44Å; V65-F85 HydrophobicContact CG2-CD1 4.12Å; V65-F85 HydrophobicContact CG2-CE1 3.74Å; V65-A87 HydrophobicContact CG1-CB 3.92Å; V65-L91 HydrophobicContact CG1-CD2 4.4Å; V65-L91 HydrophobicContact CG1-CG 4.38Å
66D97.1Very high95Very high25 Ų2569.4 Ų69.413%0.13433%0.334CS..EExtended strand (participates in β ladder)trans-68.9106.9168.9-174.2-42.2000107.6Y64 D68 K69 K70 E71 V73Y64-D66 HydrophobicContact CE2-CB 4.02Å; D66-D68 VanDerWaalsContact C-N 3.25Å; D66-D68 PolarHBondContact O-N 3.12Å; D66-D68 PolarHBondContact OD1-N 3.48Å; D66-D68 VanDerWaalsContact OD1-N 3.11Å; D66-K69 HydrophobicContact CB-CB 4.13Å; D66-K69 PolarHBondContact OD1-N 3.1Å; D66-K69 VanDerWaalsContact OD2-CD 3.26Å; D66-K69 WeakPolarHBondContact OD2-CD 3.22Å; D66-K69 WeakPolarHBondContact OD2-CE 3.29Å; D66-K69 IonicContact OD2-NZ 3.35Å; D66-K69 PolarHBondContact OD2-NZ 2.72Å; D66-K70 VanDerWaalsContact O-CA 3.24Å; D66-K70 WeakPolarHBondContact O-CA 3.34Å; D66-K70 PolarHBondContact O-N 2.93Å; D66-E71 HydrophobicContact CB-CG 4.21Å; D66-E71 PolarHBondContact N-O 3.45Å; D66-E71 PolarHBondContact O-N 2.94Å; D66-V73 HydrophobicContact CB-CG2 4.03Å
67L95.9Very high94.9Very high39 Ų3975.2 Ų75.220%0.20436%0.361CS..THydrogen-bonded Turntrans-68.3-27.1-172.5-56.8-177.1000112.5G51 V65 L91 I94G51-L67 WeakPolarHBondContact O-CD1 3.23Å; V65-L67 HydrophobicContact CB-CD2 4.48Å; V65-L67 HydrophobicContact CG1-CD2 4.17Å; V65-L67 PolarHBondContact O-N 3.01Å; V65-L67 VanDerWaalsContact O-N 3.11Å; L67-L91 HydrophobicContact CD2-CD2 3.97Å; L67-I94 HydrophobicContact CD1-CD1 4.22Å; L67-I94 HydrophobicContact CD1-CG1 4.24Å; L67-I94 HydrophobicContact CD1-CG2 4.35Å; L67-I94 HydrophobicContact CD2-CG1 3.86Å
68D94.7Very high94.9Very high156 Ų15676.5 Ų76.583%0.83437%0.368SS*.THydrogen-bonded Turntrans-82.3-47.5-179.4-71.4-35.4000110.6D66 K70D66-D68 VanDerWaalsContact C-N 3.25Å; D66-D68 PolarHBondContact O-N 3.12Å; D66-D68 PolarHBondContact OD1-N 3.48Å; D66-D68 VanDerWaalsContact OD1-N 3.11Å; D68-K70 VanDerWaalsContact C-N 3.34Å
69K97.2Very high95Very high135 Ų13576.7 Ų76.759%0.58737%0.366SS*.THydrogen-bonded Turntrans-79.5-16.8178.7-62.5-179.3-163.6148.80113.6D66 E71D66-K69 HydrophobicContact CB-CB 4.13Å; D66-K69 PolarHBondContact OD1-N 3.1Å; D66-K69 VanDerWaalsContact OD2-CD 3.26Å; D66-K69 WeakPolarHBondContact OD2-CD 3.22Å; D66-K69 WeakPolarHBondContact OD2-CE 3.29Å; D66-K69 IonicContact OD2-NZ 3.35Å; D66-K69 PolarHBondContact OD2-NZ 2.72Å; K69-E71 VanDerWaalsContact C-N 3.34Å; K69-E71 HydrophobicContact CB-CG 3.88Å; K69-E71 WeakPolarHBondContact CD-OE1 3.37Å; K69-E71 IonicContact NZ-OE1 3.98Å
70K97.2Very high95.1Very high142 Ų14270 Ų7062%0.61734%0.344SS*.THydrogen-bonded Turntrans60.641.6179.8-55.6179.7-175.4178.30112.6D66 D68 A87 L91D66-K70 VanDerWaalsContact O-CA 3.24Å; D66-K70 WeakPolarHBondContact O-CA 3.34Å; D66-K70 PolarHBondContact O-N 2.93Å; D68-K70 VanDerWaalsContact C-N 3.34Å; K70-A87 WeakPolarHBondContact O-CB 3.26Å; K70-L91 HydrophobicContact CB-CD1 3.79Å; K70-L91 HydrophobicContact CD-CD1 4.15Å; K70-L91 HydrophobicContact CG-CD1 3.78Å; K70-L91 HydrophobicContact CG-CD2 4.39Å
71E97.3Very high95.2Very high91 Ų9172.6 Ų72.643%0.42534%0.344SS..EExtended strand (participates in β ladder)trans-130.3154.5-178.469-173.2178.600111.5V65 D66 K69 V73V65-E71 WeakPolarHBondContact CA-O 3.44Å; D66-E71 HydrophobicContact CB-CG 4.21Å; D66-E71 PolarHBondContact N-O 3.45Å; D66-E71 PolarHBondContact O-N 2.94Å; K69-E71 VanDerWaalsContact C-N 3.34Å; K69-E71 HydrophobicContact CB-CG 3.88Å; K69-E71 WeakPolarHBondContact CD-OE1 3.37Å; K69-E71 IonicContact NZ-OE1 3.98Å; E71-V73 HydrophobicContact CG-CG2 4.08Å
72T97.6Very high95.2Very high29 Ų2975.1 Ų75.118%0.17837%0.369CS..EExtended strand (participates in β ladder)trans-84.9122.7172.1-55.70000108F63 W74 F85 A87F63-T72 HydrophobicContact CB-CG2 4.17Å; F63-T72 HydrophobicContact CD2-CG2 3.61Å; F63-T72 HydrophobicContact CE2-CG2 4.24Å; F63-T72 HydrophobicContact CG-CG2 4.02Å; T72-W74 HydrophobicContact CG2-CZ2 4.18Å; T72-F85 HydrophobicContact CG2-CB 3.98Å; T72-F85 HydrophobicContact CG2-CD1 4.31Å; T72-F85 PolarHBondContact OG1-O 2.83Å; T72-A87 PolarHBondContact OG1-N 2.77Å
73V97.1Very high95.2Very high35 Ų3579.1 Ų79.121%0.21239%0.385CS..EExtended strand (participates in β ladder)trans-108.6117.8177.9-177.70000108.4F63 Y64 D66 E71F63-V73 CarbonylContact C-O 3.53Å; F63-V73 WeakPolarHBondContact CA-O 3.31Å; F63-V73 WeakPolarHBondContact CB-O 3.5Å; Y64-V73 HydrophobicContact CD1-CB 3.91Å; Y64-V73 HydrophobicContact CD1-CG1 4.21Å; Y64-V73 HydrophobicContact CE1-CB 3.46Å; Y64-V73 VanDerWaalsContact CE1-CB 3.46Å; Y64-V73 HydrophobicContact CE1-CG1 3.42Å; Y64-V73 VanDerWaalsContact CE1-CG1 3.42Å; Y64-V73 HydrophobicContact CE1-CG2 4.24Å; Y64-V73 HydrophobicContact CE2-CB 4.11Å; Y64-V73 HydrophobicContact CE2-CG2 4.08Å; Y64-V73 HydrophobicContact CG-CB 4.42Å; Y64-V73 PolarHBondContact N-O 2.91Å; Y64-V73 PolarHBondContact O-N 3.34Å; D66-V73 HydrophobicContact CB-CG2 4.03Å; E71-V73 HydrophobicContact CG-CG2 4.08Å
74W96.3Very high95Very high53 Ų5384.2 Ų84.220%0.20142%0.422CS..EExtended strand (participates in β ladder)trans-87.6137.2178.7-63.790.9000110.4F63 T72 L76 F79 G80 F83 F85F63-W74 HydrophobicContact CB-CD2 3.96Å; F63-W74 HydrophobicContact CB-CE3 3.7Å; F63-W74 HydrophobicContact CB-CG 4.42Å; F63-W74 HydrophobicContact CB-CZ3 4.08Å; F63-W74 HydrophobicContact CD1-CE3 4.03Å; F63-W74 AromaticContact CD1-CH2 3.76Å; F63-W74 HydrophobicContact CD1-CH2 3.76Å; F63-W74 AromaticContact CD1-CZ3 3.49Å; F63-W74 HydrophobicContact CD1-CZ3 3.49Å; F63-W74 VanDerWaalsContact CD1-CZ3 3.49Å; F63-W74 HydrophobicContact CE1-CH2 4.2Å; F63-W74 HydrophobicContact CE1-CZ3 4.28Å; F63-W74 HydrophobicContact CG-CE3 4.22Å; F63-W74 HydrophobicContact CG-CH2 4.34Å; F63-W74 HydrophobicContact CG-CZ3 4.1Å; T72-W74 HydrophobicContact CG2-CZ2 4.18Å; W74-L76 VanDerWaalsContact C-N 3.29Å; W74-L76 WeakPolarHBondContact CB-O 3.29Å; W74-L76 PolarHBondContact O-N 3.17Å; W74-F79 HydrophobicContact CD2-CB 4.23Å; W74-F79 HydrophobicContact CE3-CB 3.49Å; W74-F79 VanDerWaalsContact CE3-CB 3.49Å; W74-F79 HydrophobicContact CZ3-CB 4.06Å; W74-G80 VanDerWaalsContact CD1-CA 3.45Å; W74-F83 HydrophobicContact CH2-CB 3.43Å; W74-F83 VanDerWaalsContact CH2-CB 3.43Å; W74-F83 HydrophobicContact CZ2-CB 4.12Å; W74-F83 HydrophobicContact CZ3-CB 3.91Å; W74-F85 HydrophobicContact CZ2-CB 4.39Å
75H93.6Very high95Very high106 Ų10684.2 Ų84.249%0.49142%0.423SS..SBendtrans-60.8-42176.6-173.576.9000111.2E61 Q62E61-H75 HydrophobicContact CB-CB 4.37Å; E61-H75 HydrophobicContact CG-CB 4.3Å; E61-H75 WeakPolarHBondContact O-CB 3.3Å; E61-H75 IonicContact OE2-ND1 3.23Å; Q62-H75 WeakPolarHBondContact O-CB 3.48Å; Q62-H75 PolarHBondContact O-N 2.93Å
76L93.8Very high94.9Very high77 Ų7791.6 Ų91.640%0.40346%0.458SS..SBendtrans-118.3138.3172.3-64-179.9000110.8W74 E78 F79W74-L76 VanDerWaalsContact C-N 3.29Å; W74-L76 WeakPolarHBondContact CB-O 3.29Å; W74-L76 PolarHBondContact O-N 3.17Å; L76-E78 PolarHBondContact O-N 2.95Å; L76-F79 HydrophobicContact CB-CD2 3.96Å; L76-F79 HydrophobicContact CB-CE2 4.17Å; L76-F79 HydrophobicContact CB-CG 4.16Å; L76-F79 HydrophobicContact CD1-CE1 4.26Å; L76-F79 HydrophobicContact CD1-CE2 4Å; L76-F79 HydrophobicContact CD1-CZ 3.81Å; L76-F79 HydrophobicContact CG-CD2 4.48Å; L76-F79 HydrophobicContact CG-CE2 4.21Å; L76-F79 WeakPolarHBondContact O-CB 3.5Å; L76-F79 PolarHBondContact O-N 3.42Å; L76-F79 VanDerWaalsContact O-N 3.11Å
77E91.6Very high94.9Very high128 Ų12891 Ų9160%0.59846%0.456SS*.Hα-helixtrans-61.5-34-179.4-161.8-162.7149.900111.6F79 G80 R81E77-F79 VanDerWaalsContact C-N 3.25Å; E77-F79 PolarHBondContact O-N 2.74Å; E77-G80 PolarHBondContact O-N 2.92Å; E77-G80 VanDerWaalsContact O-N 3.14Å; E77-R81 PolarHBondContact O-N 3.39Å; E77-R81 IonicContact OE1-CZ 3.4Å; E77-R81 IonicContact OE1-NE 3.54Å; E77-R81 PolarHBondContact OE1-NE 2.96Å; E77-R81 IonicContact OE1-NH2 2.69Å; E77-R81 PolarHBondContact OE1-NH2 3.49Å; E77-R81 IonicContact OE2-NH2 3.32Å; E77-R81 PolarHBondContact OE2-NH2 3.05Å
78E94.1Very high95Very high109 Ų10995.3 Ų95.351%0.50948%0.475SS..Hα-helixtrans-61.1-34.3178.1-6280.2-172.500112.3L76 R81 A82L76-E78 PolarHBondContact O-N 2.95Å; E78-R81 PolarHBondContact O-N 2.92Å; E78-A82 PolarHBondContact O-N 2.93Å
79F93.4Very high95.1Very high65 Ų6589.7 Ų89.729%0.28546%0.455SS..Hα-helixtrans-65.5-41.5176-63.3-17.4000111W74 L76 E77 R81 A82 F83W74-F79 HydrophobicContact CD2-CB 4.23Å; W74-F79 HydrophobicContact CE3-CB 3.49Å; W74-F79 VanDerWaalsContact CE3-CB 3.49Å; W74-F79 HydrophobicContact CZ3-CB 4.06Å; L76-F79 HydrophobicContact CB-CD2 3.96Å; L76-F79 HydrophobicContact CB-CE2 4.17Å; L76-F79 HydrophobicContact CB-CG 4.16Å; L76-F79 HydrophobicContact CD1-CE1 4.26Å; L76-F79 HydrophobicContact CD1-CE2 4Å; L76-F79 HydrophobicContact CD1-CZ 3.81Å; L76-F79 HydrophobicContact CG-CD2 4.48Å; L76-F79 HydrophobicContact CG-CE2 4.21Å; L76-F79 WeakPolarHBondContact O-CB 3.5Å; L76-F79 PolarHBondContact O-N 3.42Å; L76-F79 VanDerWaalsContact O-N 3.11Å; E77-F79 VanDerWaalsContact C-N 3.25Å; E77-F79 PolarHBondContact O-N 2.74Å; F79-R81 PolarHBondContact O-N 3.25Å; F79-A82 PolarHBondContact O-N 2.73Å; F79-A82 VanDerWaalsContact O-N 3.1Å; F79-F83 HydrophobicContact CB-CD2 4.48Å; F79-F83 PolarHBondContact O-N 3.37Å
80G91.2Very high95.1Very high32 Ų3283.3 Ų83.333%0.3343%0.427SS..Hα-helixtrans-67.5-15175.800000114.9W74 E77W74-G80 VanDerWaalsContact CD1-CA 3.45Å; E77-G80 PolarHBondContact O-N 2.92Å; E77-G80 VanDerWaalsContact O-N 3.14Å
81R93.3Very high95.1Very high173 Ų17378.1 Ų78.165%0.65341%0.405SS*.Hα-helixtrans-86.8-29.1171.3-63.4177.6-171.3162.92.7112.6E77 E78 F79E77-R81 PolarHBondContact O-N 3.39Å; E77-R81 IonicContact OE1-CZ 3.4Å; E77-R81 IonicContact OE1-NE 3.54Å; E77-R81 PolarHBondContact OE1-NE 2.96Å; E77-R81 IonicContact OE1-NH2 2.69Å; E77-R81 PolarHBondContact OE1-NH2 3.49Å; E77-R81 IonicContact OE2-NH2 3.32Å; E77-R81 PolarHBondContact OE2-NH2 3.05Å; E78-R81 PolarHBondContact O-N 2.92Å; F79-R81 PolarHBondContact O-N 3.25Å
82A92.8Very high95.1Very high73 Ų7375.8 Ų75.860%0.60340%0.402SS*.Hα-helixtrans-93.1-31.8-177.200000113.1E78 F79E78-A82 PolarHBondContact O-N 2.93Å; F79-A82 PolarHBondContact O-N 2.73Å; F79-A82 VanDerWaalsContact O-N 3.1Å
83F92.9Very high95.1Very high122 Ų12277.3 Ų77.354%0.53541%0.409SS..  trans-126.7161.8-173.5-56.3-72.5000110.9W74 F79W74-F83 HydrophobicContact CH2-CB 3.43Å; W74-F83 VanDerWaalsContact CH2-CB 3.43Å; W74-F83 HydrophobicContact CZ2-CB 4.12Å; W74-F83 HydrophobicContact CZ3-CB 3.91Å; F79-F83 HydrophobicContact CB-CD2 4.48Å; F79-F83 PolarHBondContact O-N 3.37Å
84S93.4Very high95.2Very high116 Ų11676.5 Ų76.581%0.81140%0.403SS*.  trans-139.7146.9174.463.60000110.5
85F96Very high95.3Very high57 Ų5776.9 Ų76.925%0.2542%0.418CS..  trans-142.2132.1172.8-177.8-93.9000108.8F53 F55 F63 V65 T72 W74 A87F53-F85 AromaticContact CE1-CE1 3.73Å; F53-F85 HydrophobicContact CE1-CE1 3.73Å; F53-F85 HydrophobicContact CE1-CE2 4.45Å; F53-F85 AromaticContact CE1-CZ 3.55Å; F53-F85 HydrophobicContact CE1-CZ 3.55Å; F53-F85 HydrophobicContact CZ-CE1 4.27Å; F53-F85 HydrophobicContact CZ-CE2 4.49Å; F53-F85 AromaticContact CZ-CZ 3.67Å; F53-F85 HydrophobicContact CZ-CZ 3.67Å; F55-F85 HydrophobicContact CE2-CE2 4.32Å; F55-F85 HydrophobicContact CZ-CE2 4.05Å; F63-F85 HydrophobicContact CD2-CD1 4.36Å; F63-F85 HydrophobicContact CD2-CG 4.5Å; F63-F85 HydrophobicContact CE1-CB 4.34Å; F63-F85 HydrophobicContact CE1-CG 4.47Å; F63-F85 HydrophobicContact CE2-CB 3.92Å; F63-F85 AromaticContact CE2-CD1 3.49Å; F63-F85 HydrophobicContact CE2-CD1 3.49Å; F63-F85 VanDerWaalsContact CE2-CD1 3.49Å; F63-F85 HydrophobicContact CE2-CD2 4.02Å; F63-F85 AromaticContact CE2-CE1 3.97Å; F63-F85 HydrophobicContact CE2-CE1 3.97Å; F63-F85 HydrophobicContact CE2-CE2 4.44Å; F63-F85 AromaticContact CE2-CG 3.52Å; F63-F85 HydrophobicContact CE2-CG 3.52Å; F63-F85 HydrophobicContact CE2-CZ 4.43Å; F63-F85 HydrophobicContact CZ-CB 3.8Å; F63-F85 AromaticContact CZ-CD1 3.97Å; F63-F85 HydrophobicContact CZ-CD1 3.97Å; F63-F85 AromaticContact CZ-CD2 3.61Å; F63-F85 HydrophobicContact CZ-CD2 3.61Å; F63-F85 HydrophobicContact CZ-CE1 4.48Å; F63-F85 HydrophobicContact CZ-CE2 4.16Å; F63-F85 AromaticContact CZ-CG 3.5Å; F63-F85 HydrophobicContact CZ-CG 3.5Å; V65-F85 HydrophobicContact CG2-CD1 4.12Å; V65-F85 HydrophobicContact CG2-CE1 3.74Å; T72-F85 HydrophobicContact CG2-CB 3.98Å; T72-F85 HydrophobicContact CG2-CD1 4.31Å; T72-F85 PolarHBondContact OG1-O 2.83Å; W74-F85 HydrophobicContact CZ2-CB 4.39Å; F85-A87 PolarHBondContact O-N 2.92Å
86E96.9Very high95.5Very high161 Ų16176.5 Ų76.575%0.75242%0.419SS*.  trans-83.7113.4176.5-69-174.7-179.900110.1Q88 G89E86-Q88 PolarHBondContact O-N 2.81Å; E86-G89 PolarHBondContact O-N 3.04Å
87A97.4Very high95.7Very high12 Ų1274.9 Ų74.910%0.09941%0.41CS..Hα-helixtrans-51.4-29.3179.400000113.6V65 K70 T72 F85 G89 G90 L91V65-A87 HydrophobicContact CG1-CB 3.92Å; K70-A87 WeakPolarHBondContact O-CB 3.26Å; T72-A87 PolarHBondContact OG1-N 2.77Å; F85-A87 PolarHBondContact O-N 2.92Å; A87-G89 PolarHBondContact O-N 3.43Å; A87-G90 PolarHBondContact O-N 3.02Å; A87-L91 WeakPolarHBondContact O-CG 3.44Å; A87-L91 PolarHBondContact O-N 2.9Å
88Q97.5Very high96Very high129 Ų12971.5 Ų71.560%0.60340%0.396SS*.Hα-helixtrans-56.1-34.1176.2-173.658.833.500113E86 A92E86-Q88 PolarHBondContact O-N 2.81Å; Q88-A92 VanDerWaalsContact O-CB 3.31Å; Q88-A92 WeakPolarHBondContact O-CB 3.37Å; Q88-A92 PolarHBondContact O-N 3.11Å
89G96.1Very high96.2Very high39 Ų3970.8 Ų70.840%0.40240%0.396SS..Hα-helixtrans-62.7-45.917500000112.1E86 A87 A92 N93E86-G89 PolarHBondContact O-N 3.04Å; A87-G89 PolarHBondContact O-N 3.43Å; G89-A92 PolarHBondContact O-N 2.85Å; G89-N93 WeakPolarHBondContact O-CB 3.45Å; G89-N93 PolarHBondContact O-N 3.48Å
90G97.1Very high96.4Very high0 Ų071.4 Ų71.40%040%0.402CS..Hα-helixtrans-65.1-44.2176.200000112.6A87 A92 N93 I94A87-G90 PolarHBondContact O-N 3.02Å; G90-A92 PolarHBondContact O-N 3.26Å; G90-N93 WeakPolarHBondContact O-CB 3.39Å; G90-N93 PolarHBondContact O-N 3.42Å; G90-N93 VanDerWaalsContact O-N 3.17Å; G90-I94 WeakPolarHBondContact O-CG1 3.35Å; G90-I94 PolarHBondContact O-N 3.48Å
91L98.1Very high96.7Very high33 Ų3371.7 Ų71.717%0.17340%0.396CS..Hα-helixtrans-61.1-41.9176.9-64.6171.5000112.4V65 L67 K70 A87 N93 I94 A95V65-L91 HydrophobicContact CG1-CD2 4.4Å; V65-L91 HydrophobicContact CG1-CG 4.38Å; L67-L91 HydrophobicContact CD2-CD2 3.97Å; K70-L91 HydrophobicContact CB-CD1 3.79Å; K70-L91 HydrophobicContact CD-CD1 4.15Å; K70-L91 HydrophobicContact CG-CD1 3.78Å; K70-L91 HydrophobicContact CG-CD2 4.39Å; A87-L91 WeakPolarHBondContact O-CG 3.44Å; A87-L91 PolarHBondContact O-N 2.9Å; L91-N93 VanDerWaalsContact C-N 3.33Å; L91-I94 PolarHBondContact O-N 2.97Å; L91-A95 PolarHBondContact O-N 3.44Å
92A97.8Very high96.9Very high43 Ų4368 Ų6836%0.35539%0.389SS..Hα-helixtrans-64.4-39.8175.900000111.6Q88 G89 G90 A95 I96Q88-A92 VanDerWaalsContact O-CB 3.31Å; Q88-A92 WeakPolarHBondContact O-CB 3.37Å; Q88-A92 PolarHBondContact O-N 3.11Å; G89-A92 PolarHBondContact O-N 2.85Å; G90-A92 PolarHBondContact O-N 3.26Å; A92-A95 PolarHBondContact O-N 2.98Å; A92-I96 WeakPolarHBondContact O-CG1 3.33Å; A92-I96 PolarHBondContact O-N 3.44Å; A92-I96 VanDerWaalsContact O-N 3.11Å
93N97.8Very high97.2Very high61 Ų6168 Ų6833%0.32638%0.378SS..Hα-helixtrans-61.6-48.9175.9-163.6-82.6000111.2F53 G89 G90 L91 A95 I96 L97F53-N93 HydrophobicContact CD2-CB 4.19Å; F53-N93 HydrophobicContact CE2-CB 3.92Å; G89-N93 WeakPolarHBondContact O-CB 3.45Å; G89-N93 PolarHBondContact O-N 3.48Å; G90-N93 WeakPolarHBondContact O-CB 3.39Å; G90-N93 PolarHBondContact O-N 3.42Å; G90-N93 VanDerWaalsContact O-N 3.17Å; L91-N93 VanDerWaalsContact C-N 3.33Å; N93-A95 VanDerWaalsContact C-N 3.31Å; N93-A95 PolarHBondContact O-N 3.43Å; N93-I96 PolarHBondContact O-N 2.92Å; N93-I96 VanDerWaalsContact O-N 3.13Å; N93-L97 VanDerWaalsContact O-CD1 3.24Å; N93-L97 WeakPolarHBondContact O-CD1 3.44Å; N93-L97 PolarHBondContact O-N 3.31Å; N93-L97 WeakPolarHBondContact OD1-CD1 3.45Å
94I98.1Very high97.4Very high17 Ų1766 Ų669%0.08738%0.376CS..Hα-helixtrans-57.7-41.1175.8-70.4-72000112T42 V44 F53 L67 G90 L91 L97 N98T42-I94 HydrophobicContact CG2-CD1 3.52Å; T42-I94 HydrophobicContact CG2-CG1 4.33Å; V44-I94 HydrophobicContact CG1-CD1 3.95Å; V44-I94 HydrophobicContact CG1-CG2 4.34Å; F53-I94 HydrophobicContact CB-CD1 4.39Å; F53-I94 HydrophobicContact CB-CG1 4.33Å; L67-I94 HydrophobicContact CD1-CD1 4.22Å; L67-I94 HydrophobicContact CD1-CG1 4.24Å; L67-I94 HydrophobicContact CD1-CG2 4.35Å; L67-I94 HydrophobicContact CD2-CG1 3.86Å; G90-I94 WeakPolarHBondContact O-CG1 3.35Å; G90-I94 PolarHBondContact O-N 3.48Å; L91-I94 PolarHBondContact O-N 2.97Å; I94-L97 PolarHBondContact O-N 2.89Å; I94-N98 WeakPolarHBondContact CG2-ND2 3.16Å; I94-N98 PolarHBondContact O-N 2.78Å; I94-N98 PolarHBondContact O-ND2 2.96Å
95A97.9Very high97.7Very high62 Ų6262.6 Ų62.651%0.51235%0.348SS..Hα-helixtrans-63.3-42.2177.300000112.3L91 A92 N93 N98 N99L91-A95 PolarHBondContact O-N 3.44Å; A92-A95 PolarHBondContact O-N 2.98Å; N93-A95 VanDerWaalsContact C-N 3.31Å; N93-A95 PolarHBondContact O-N 3.43Å; A95-N98 PolarHBondContact O-N 3.04Å; A95-N99 PolarHBondContact O-N 2.91Å
96I98.1Very high97.8Very high98 Ų9865 Ų6550%0.50336%0.361SS..Hα-helixtrans-64.6-46175.7-67.3164.7000110.4A92 N93 N98 N99 N100A92-I96 WeakPolarHBondContact O-CG1 3.33Å; A92-I96 PolarHBondContact O-N 3.44Å; A92-I96 VanDerWaalsContact O-N 3.11Å; N93-I96 PolarHBondContact O-N 2.92Å; N93-I96 VanDerWaalsContact O-N 3.13Å; I96-N98 VanDerWaalsContact C-N 3.33Å; I96-N98 PolarHBondContact O-N 2.95Å; I96-N99 WeakPolarHBondContact O-CB 3.24Å; I96-N99 PolarHBondContact O-N 3.39Å; I96-N100 PolarHBondContact O-N 3.01Å
97L97.9Very high97.8Very high43 Ų4367.7 Ų67.723%0.22536%0.364CS..Hα-helixtrans-61.5-40.2179.1-96.979.1000112T42 V44 N93 I94 N99 N100 L101T42-L97 HydrophobicContact CG2-CD2 3.72Å; V44-L97 HydrophobicContact CB-CB 4.42Å; V44-L97 HydrophobicContact CG1-CB 3.74Å; V44-L97 HydrophobicContact CG1-CD2 4.41Å; V44-L97 HydrophobicContact CG2-CB 3.76Å; V44-L97 HydrophobicContact CG2-CD2 4.39Å; N93-L97 VanDerWaalsContact O-CD1 3.24Å; N93-L97 WeakPolarHBondContact O-CD1 3.44Å; N93-L97 PolarHBondContact O-N 3.31Å; N93-L97 WeakPolarHBondContact OD1-CD1 3.45Å; I94-L97 PolarHBondContact O-N 2.89Å; L97-N99 VanDerWaalsContact C-N 3.31Å; L97-N99 PolarHBondContact O-N 2.82Å; L97-N100 CarbonylContact O-C 3.55Å; L97-N100 WeakPolarHBondContact O-CB 3.4Å; L97-N100 PolarHBondContact O-N 3.41Å; L97-N100 VanDerWaalsContact O-N 3.13Å; L97-L101 WeakPolarHBondContact O-CB 3.21Å; L97-L101 PolarHBondContact O-N 3.49Å
98N98Very high97.9Very high57 Ų5769.2 Ų69.231%0.30537%0.373SS..Hα-helixtrans-59.9-41.3175.3-85.4-65.3000112.3I94 A95 I96 L101 N102I94-N98 WeakPolarHBondContact CG2-ND2 3.16Å; I94-N98 PolarHBondContact O-N 2.78Å; I94-N98 PolarHBondContact O-ND2 2.96Å; A95-N98 PolarHBondContact O-N 3.04Å; I96-N98 VanDerWaalsContact C-N 3.33Å; I96-N98 PolarHBondContact O-N 2.95Å; N98-L101 PolarHBondContact O-N 2.97Å; N98-N102 PolarHBondContact O-N 2.73Å; N98-N102 VanDerWaalsContact O-N 3.14Å; N98-N102 PolarHBondContact O-ND2 3.12Å
99N98Very high97.9Very high94 Ų9469.4 Ų69.450%0.50338%0.379SS..Hα-helixtrans-64.5-41.8173.7-177.163.3000111.7A95 I96 L97 L101 N102 I103A95-N99 PolarHBondContact O-N 2.91Å; I96-N99 WeakPolarHBondContact O-CB 3.24Å; I96-N99 PolarHBondContact O-N 3.39Å; L97-N99 VanDerWaalsContact C-N 3.31Å; L97-N99 PolarHBondContact O-N 2.82Å; N99-L101 VanDerWaalsContact C-N 3.34Å; N99-L101 PolarHBondContact O-N 3.16Å; N99-N102 PolarHBondContact O-N 3.31Å; N99-I103 WeakPolarHBondContact O-CG1 3.33Å; N99-I103 PolarHBondContact O-N 3.1Å; N99-I103 VanDerWaalsContact O-N 3.15Å
100N98.3Very high97.9Very high77 Ų7773.6 Ų73.641%0.41238%0.383SS..Hα-helixtrans-63.7-38.3176.2-68.3-12.5000112.2I96 L97 I103 T104I96-N100 PolarHBondContact O-N 3.01Å; L97-N100 CarbonylContact O-C 3.55Å; L97-N100 WeakPolarHBondContact O-CB 3.4Å; L97-N100 PolarHBondContact O-N 3.41Å; L97-N100 VanDerWaalsContact O-N 3.13Å; N100-I103 PolarHBondContact O-N 3.42Å; N100-T104 WeakPolarHBondContact O-CB 3.49Å; N100-T104 PolarHBondContact O-N 2.93Å; N100-T104 PolarHBondContact O-OG1 2.87Å
101L98.1Very high98Very high39 Ų3978.6 Ų78.620%0.20441%0.414CS..Hα-helixtrans-60.6-48.2175.9176.562.7000110.5V44 T46 L97 N98 N99 I103 T104 I105V44-L101 HydrophobicContact CB-CD2 4.42Å; V44-L101 HydrophobicContact CG2-CB 3.86Å; V44-L101 HydrophobicContact CG2-CD2 3.96Å; V44-L101 HydrophobicContact CG2-CG 4.43Å; T46-L101 HydrophobicContact CG2-CD2 4.36Å; L97-L101 WeakPolarHBondContact O-CB 3.21Å; L97-L101 PolarHBondContact O-N 3.49Å; N98-L101 PolarHBondContact O-N 2.97Å; N99-L101 VanDerWaalsContact C-N 3.34Å; N99-L101 PolarHBondContact O-N 3.16Å; L101-I103 VanDerWaalsContact C-N 3.31Å; L101-I103 PolarHBondContact O-N 2.74Å; L101-T104 PolarHBondContact O-N 3.45Å; L101-T104 VanDerWaalsContact O-N 3.09Å; L101-I105 HydrophobicContact CD1-CD1 4.03Å; L101-I105 HydrophobicContact CD1-CG1 4.16Å; L101-I105 HydrophobicContact CG-CD1 3.9Å; L101-I105 HydrophobicContact CG-CG1 4.45Å; L101-I105 WeakPolarHBondContact O-CG1 3.13Å; L101-I105 PolarHBondContact O-N 2.73Å
102N97.8Very high97.8Very high96 Ų9684 Ų8451%0.51344%0.438SS..Hα-helixtrans-57.7-44177.2-72.7-30.5000112.1N98 N99 Q106N98-N102 PolarHBondContact O-N 2.73Å; N98-N102 VanDerWaalsContact O-N 3.14Å; N98-N102 PolarHBondContact O-ND2 3.12Å; N99-N102 PolarHBondContact O-N 3.31Å; N102-Q106 WeakPolarHBondContact O-CG 3.45Å; N102-Q106 PolarHBondContact O-N 2.87Å
103I98.3Very high97.7Very high72 Ų7284.9 Ų84.937%0.36945%0.445SS..Hα-helixtrans-64.7-41.6176.3-66166.7000111N99 N100 L101 Q106 R107N99-I103 WeakPolarHBondContact O-CG1 3.33Å; N99-I103 PolarHBondContact O-N 3.1Å; N99-I103 VanDerWaalsContact O-N 3.15Å; N100-I103 PolarHBondContact O-N 3.42Å; L101-I103 VanDerWaalsContact C-N 3.31Å; L101-I103 PolarHBondContact O-N 2.74Å; I103-Q106 PolarHBondContact O-N 2.85Å; I103-R107 HydrophobicContact CG2-CG 4.39Å; I103-R107 WeakPolarHBondContact O-CG 3.28Å; I103-R107 PolarHBondContact O-N 3.43Å
104T97.9Very high97.6Very high81 Ų8185.2 Ų85.250%0.49746%0.457SS..Hα-helixtrans-66.9-40.9-178-57.80000111.6N100 L101 Q106 R107 S108N100-T104 WeakPolarHBondContact O-CB 3.49Å; N100-T104 PolarHBondContact O-N 2.93Å; N100-T104 PolarHBondContact O-OG1 2.87Å; L101-T104 PolarHBondContact O-N 3.45Å; L101-T104 VanDerWaalsContact O-N 3.09Å; T104-Q106 VanDerWaalsContact C-N 3.31Å; T104-Q106 PolarHBondContact O-N 2.96Å; T104-R107 PolarHBondContact O-N 3.49Å; T104-S108 WeakPolarHBondContact O-CB 3.4Å; T104-S108 PolarHBondContact O-N 3.4Å; T104-S108 PolarHBondContact O-OG 3.21Å
105I98Very high97.6Very high43 Ų4387.9 Ų87.922%0.22147%0.471CS..Hα-helixtrans-57.1-44.5173.8-71.2167.2000110.8T46 L101 S108 Y110T46-I105 HydrophobicContact CG2-CD1 4.01Å; L101-I105 HydrophobicContact CD1-CD1 4.03Å; L101-I105 HydrophobicContact CD1-CG1 4.16Å; L101-I105 HydrophobicContact CG-CD1 3.9Å; L101-I105 HydrophobicContact CG-CG1 4.45Å; L101-I105 WeakPolarHBondContact O-CG1 3.13Å; L101-I105 PolarHBondContact O-N 2.73Å; I105-S108 PolarHBondContact O-OG 3.45Å; I105-Y110 HydrophobicContact CG2-CD1 3.53Å; I105-Y110 HydrophobicContact CG2-CE1 3.9Å; I105-Y110 HydrophobicContact CG2-CG 4.25Å; I105-Y110 PolarHBondContact O-N 2.85Å
106Q97.9Very high97.7Very high109 Ų10988.6 Ų88.651%0.50947%0.466SS..Hα-helixtrans-66.2-45.2177-62.3-59.4-38.100111.8N102 I103 T104 S108 N109 Y110N102-Q106 WeakPolarHBondContact O-CG 3.45Å; N102-Q106 PolarHBondContact O-N 2.87Å; I103-Q106 PolarHBondContact O-N 2.85Å; T104-Q106 VanDerWaalsContact C-N 3.31Å; T104-Q106 PolarHBondContact O-N 2.96Å; Q106-S108 VanDerWaalsContact C-N 3.34Å; Q106-S108 PolarHBondContact O-N 2.99Å; Q106-N109 PolarHBondContact O-N 3.03Å; Q106-N109 VanDerWaalsContact O-N 3.11Å; Q106-Y110 VanDerWaalsContact CD-OH 3.22Å; Q106-Y110 VanDerWaalsContact NE2-CZ 3.31Å; Q106-Y110 PolarHBondContact NE2-OH 2.93Å; Q106-Y110 PolarHBondContact OE1-OH 3.33Å
107R98.3Very high97.7Very high216 Ų21687.1 Ų87.182%0.81546%0.463SS*.Hα-helixtrans-65.8-34.2-178.5-78.2-176.7173-174-1.4113.4I103 T104 N109I103-R107 HydrophobicContact CG2-CG 4.39Å; I103-R107 WeakPolarHBondContact O-CG 3.28Å; I103-R107 PolarHBondContact O-N 3.43Å; T104-R107 PolarHBondContact O-N 3.49Å; R107-N109 PolarHBondContact O-N 3.39Å
108S98.1Very high97.7Very high44 Ų4485.5 Ų85.531%0.30846%0.455SS..THydrogen-bonded Turntrans-79.33.217673.80000113T104 I105 Q106 Y110 T111T104-S108 WeakPolarHBondContact O-CB 3.4Å; T104-S108 PolarHBondContact O-N 3.4Å; T104-S108 PolarHBondContact O-OG 3.21Å; I105-S108 PolarHBondContact O-OG 3.45Å; Q106-S108 VanDerWaalsContact C-N 3.34Å; Q106-S108 PolarHBondContact O-N 2.99Å; S108-Y110 VanDerWaalsContact C-N 3.26Å; S108-Y110 PolarHBondContact O-N 2.81Å; S108-T111 WeakPolarHBondContact O-CB 3.42Å; S108-T111 PolarHBondContact O-N 2.66Å; S108-T111 PolarHBondContact O-OG1 3.42Å; S108-T111 PolarHBondContact OG-N 3.18Å
109N97.9Very high97.7Very high134 Ų13487.9 Ų87.972%0.71746%0.464SS*.THydrogen-bonded Turntrans51.546.8-171.4-168.735.4000111.9Q106 R107 T111Q106-N109 PolarHBondContact O-N 3.03Å; Q106-N109 VanDerWaalsContact O-N 3.11Å; R107-N109 PolarHBondContact O-N 3.39Å; N109-T111 PolarHBondContact O-N 3.23Å
110Y97.1Very high97.7Very high127 Ų12783.9 Ų83.950%0.49844%0.444SS..THydrogen-bonded Turntrans61.726.3176.6-54.3-97000114.8I105 Q106 S108 Q112I105-Y110 HydrophobicContact CG2-CD1 3.53Å; I105-Y110 HydrophobicContact CG2-CE1 3.9Å; I105-Y110 HydrophobicContact CG2-CG 4.25Å; I105-Y110 PolarHBondContact O-N 2.85Å; Q106-Y110 VanDerWaalsContact CD-OH 3.22Å; Q106-Y110 VanDerWaalsContact NE2-CZ 3.31Å; Q106-Y110 PolarHBondContact NE2-OH 2.93Å; Q106-Y110 PolarHBondContact OE1-OH 3.33Å; S108-Y110 VanDerWaalsContact C-N 3.26Å; S108-Y110 PolarHBondContact O-N 2.81Å; Y110-Q112 PolarHBondContact O-N 2.89Å; Y110-Q112 PolarHBondContact O-NE2 2.84Å
111T97.9Very high97.8Very high104 Ų10483.3 Ų83.364%0.63844%0.443SS*.PPolyproline II helixtrans-59.3124.3173.2-60.50000109.7S108 N109S108-T111 WeakPolarHBondContact O-CB 3.42Å; S108-T111 PolarHBondContact O-N 2.66Å; S108-T111 PolarHBondContact O-OG1 3.42Å; S108-T111 PolarHBondContact OG-N 3.18Å; N109-T111 PolarHBondContact O-N 3.23Å
112Q95.5Very high97.8Very high147 Ų14782.3 Ų82.369%0.68744%0.439SS*.PPolyproline II helixtrans-77.9149.7176.8-60.8-58.3-58.100110.5Y110Y110-Q112 PolarHBondContact O-N 2.89Å; Y110-Q112 PolarHBondContact O-NE2 2.84Å
113A95.1Very high97.8Very high61 Ų6181.6 Ų81.650%0.50443%0.431SS..PPolyproline II helixtrans-70.2148.3171.100000110.6F144A113-F144 HydrophobicContact CB-CD1 4.33Å; A113-F144 HydrophobicContact CB-CE1 3.47Å; A113-F144 VanDerWaalsContact CB-CE1 3.47Å; A113-F144 HydrophobicContact CB-CZ 4.27Å
114A96.5Very high97.7Very high68 Ų6879.9 Ų79.956%0.56243%0.425SS*.PPolyproline II helixtrans-72.7145.4173.200000109.7F144A114-F144 WeakPolarHBondContact O-CD1 3Å
115N97.9Very high97.7Very high73 Ų7382.2 Ų82.239%0.3943%0.428SS..PPolyproline II helixtrans-92.8119.2172.3-62.8-26.8000108.7F144 P145 W199N115-F144 CarbonylContact C-O 3.44Å; N115-F144 WeakPolarHBondContact CA-O 3.48Å; N115-P145 WeakPolarHBondContact OD1-CD 3.41Å; N115-W199 HydrophobicContact CB-CB 4.49Å; N115-W199 WeakPolarHBondContact ND2-CB 3.44Å; N115-W199 PolarHBondContact ND2-O 2.92Å
116D98.1Very high97.6Very high78 Ų7885.3 Ų85.342%0.41744%0.441SS..BIsolated β-bridgetrans-102.8118.9173.7-63.5-46.7000108.7F143 F144 H198D116-F143 WeakPolarHBondContact O-CA 3.43Å; D116-F144 HydrophobicContact CB-CB 4.21Å; D116-F144 PolarHBondContact N-O 2.85Å; D116-F144 PolarHBondContact O-N 2.93Å; D116-F144 VanDerWaalsContact O-N 3.16Å; D116-H198 PolarHBondContact O-CE1 3Å
117P98.2Very high97.5Very high66 Ų6685.2 Ų85.243%0.42945%0.45SS..PPolyproline II helixtrans-69146-177.926.5-32.8000111.9L201P117-L201 HydrophobicContact CB-CD2 3.79Å; P117-L201 HydrophobicContact CB-CG 4.38Å
118P98.5Very high97.3Very high10 Ų1077.6 Ų77.67%0.06543%0.428CS..PPolyproline II helixtrans-70.6149.1176.827-33.3000113.3V120 I140 D141 F143 V196 H198 L201P118-V120 HydrophobicContact CB-CG2 4.23Å; P118-I140 HydrophobicContact CB-CG2 3.39Å; P118-I140 HydrophobicContact CG-CG2 4.22Å; P118-D141 CarbonylContact C-O 3.54Å; P118-D141 WeakPolarHBondContact CA-O 3.34Å; P118-F143 HydrophobicContact CB-CB 3.83Å; P118-F143 HydrophobicContact CB-CD1 4.38Å; P118-F143 HydrophobicContact CB-CG 4.41Å; P118-V196 HydrophobicContact CG-CG1 4.06Å; P118-H198 HydrophobicContact CG-CB 4.05Å; P118-L201 HydrophobicContact CG-CD1 3.87Å; P118-L201 HydrophobicContact CG-CG 4.29Å
119E98.5Very high97Very high106 Ų10680.5 Ų80.550%0.49544%0.436SS..EExtended strand (participates in β ladder)trans-92.8133.9156.6-67.8177.7-162.100109D141 K142E119-D141 PolarHBondContact N-O 3.24Å; E119-D141 PolarHBondContact O-N 3.07Å; E119-K142 WeakPolarHBondContact OE1-CD 3.04Å; E119-K142 IonicContact OE1-NZ 2.96Å; E119-K142 PolarHBondContact OE1-NZ 2.88Å; E119-K142 IonicContact OE2-NZ 2.87Å; E119-K142 PolarHBondContact OE2-NZ 2.91Å
120V98.7Very high96.8Very high11 Ų1179.1 Ų79.17%0.06743%0.428CS..EExtended strand (participates in β ladder)trans-124.3129.5-175.8-178.20000111.7P118 C138 H139 I140 V196 L205 K207P118-V120 HydrophobicContact CB-CG2 4.23Å; V120-C138 VanDerWaalsContact CG1-SG 3.56Å; V120-H139 WeakPolarHBondContact CA-O 3.47Å; V120-I140 HydrophobicContact CG2-CB 4.45Å; V120-I140 HydrophobicContact CG2-CG1 4.17Å; V120-I140 HydrophobicContact CG2-CG2 4.11Å; V120-V196 HydrophobicContact CG1-CG2 4.16Å; V120-V196 HydrophobicContact CG2-CB 4.18Å; V120-V196 HydrophobicContact CG2-CG1 4.32Å; V120-V196 HydrophobicContact CG2-CG2 3.86Å; V120-L205 HydrophobicContact CB-CD2 3.7Å; V120-L205 HydrophobicContact CG2-CD2 3.51Å; V120-K207 HydrophobicContact CB-CB 4.4Å; V120-K207 HydrophobicContact CG1-CB 3.67Å; V120-K207 HydrophobicContact CG1-CG 4.09Å; V120-K207 WeakPolarHBondContact O-CD 3.49Å; V120-K207 WeakPolarHBondContact O-CE 3.42Å
121T98.6Very high96.6Very high64 Ų6475.8 Ų75.839%0.39343%0.432SS..EExtended strand (participates in β ladder)trans-125.2143.8173.462.50000110.4C138 H139T121-C138 CarbonylContact O-C 3.57Å; T121-C138 WeakPolarHBondContact O-CA 3.3Å; T121-H139 PolarHBondContact N-O 3.06Å; T121-H139 PolarHBondContact O-N 2.82Å
122V98.6Very high96.5Very high19 Ų1975.8 Ų75.812%0.11543%0.425CS..EExtended strand (participates in β ladder)trans-126.3130176.21750000108.5L136 I137 C138 W152 C194 K207 W209V122-L136 HydrophobicContact CG1-CD2 4.19Å; V122-I137 VanDerWaalsContact CA-O 3.28Å; V122-I137 WeakPolarHBondContact CA-O 3.47Å; V122-C138 HydrophobicContact CG2-CB 4.1Å; V122-W152 HydrophobicContact CG1-CH2 3.92Å; V122-W152 HydrophobicContact CG1-CZ3 4.2Å; V122-W152 HydrophobicContact CG2-CH2 4.31Å; V122-C194 HydrophobicContact CG2-CB 3.59Å; V122-K207 HydrophobicContact CB-CG 4.05Å; V122-K207 HydrophobicContact CG2-CB 3.79Å; V122-K207 HydrophobicContact CG2-CG 3.58Å; V122-W209 HydrophobicContact CB-CB 4.32Å; V122-W209 HydrophobicContact CG1-CB 3.58Å; V122-W209 HydrophobicContact CG1-CG 3.9Å
123F97.7Very high96.6Very high81 Ų8174.2 Ų74.236%0.35543%0.428SS..EExtended strand (participates in β ladder)trans-152.7152-179.855.1-87.5000110.8I137 H139F123-I137 HydrophobicContact CD2-CB 4.22Å; F123-I137 HydrophobicContact CD2-CD1 4.38Å; F123-I137 HydrophobicContact CE1-CG2 4.33Å; F123-I137 HydrophobicContact CE2-CB 3.9Å; F123-I137 HydrophobicContact CE2-CD1 3.81Å; F123-I137 HydrophobicContact CE2-CG1 4.37Å; F123-I137 HydrophobicContact CE2-CG2 4.07Å; F123-I137 HydrophobicContact CZ-CB 4.08Å; F123-I137 HydrophobicContact CZ-CG2 3.79Å; F123-I137 PolarHBondContact N-O 2.88Å; F123-I137 PolarHBondContact O-N 3.48Å; F123-H139 HydrophobicContact CE1-CB 3.92Å; F123-H139 HydrophobicContact CZ-CB 4.46Å
124P97.6Very high96.7Very high36 Ų3672 Ų7223%0.23441%0.407CS..EExtended strand (participates in β ladder)trans-77.2150.2175.234.8-35.4000110.4E126 V128 T135 L136 W209P124-E126 WeakPolarHBondContact CB-O 3.43Å; P124-V128 HydrophobicContact CB-CG2 3.96Å; P124-V128 HydrophobicContact CG-CG2 3.71Å; P124-T135 CarbonylContact C-O 3.56Å; P124-T135 WeakPolarHBondContact CA-O 3.5Å; P124-L136 HydrophobicContact CB-CD2 4.35Å; P124-W209 HydrophobicContact CB-CZ2 4.36Å; P124-W209 HydrophobicContact CG-CZ2 4.42Å
125K97.1Very high96.8Very high129 Ų12970.2 Ų70.256%0.56139%0.389SS*.SBendtrans-64.1-47.8175.6-178.1-172.4173.676.50111.2T135 I137K125-T135 WeakPolarHBondContact CB-O 3.23Å; K125-T135 PolarHBondContact N-O 2.89Å; K125-I137 HydrophobicContact CB-CD1 3.97Å; K125-I137 HydrophobicContact CB-CG1 4.43Å; K125-I137 HydrophobicContact CG-CD1 4.37Å
126E96.1Very high96.8Very high108 Ų10866.7 Ų66.751%0.50537%0.371SS..SBendtrans-114.5160.3179.8-59-60158.100110.5P124 V128 N134P124-E126 WeakPolarHBondContact CB-O 3.43Å; E126-V128 PolarHBondContact O-N 3.43Å; E126-N134 PolarHBondContact N-OD1 3.08Å; E126-N134 PolarHBondContact O-ND2 3.01Å
127P94.6Very high96.9Very high108 Ų10864 Ų6470%0.70136%0.356SS*.  trans-48.8138.3168-26.535.6000111.8E129 N134P127-E129 PolarHBondContact O-N 2.69Å; P127-N134 PolarHBondContact O-ND2 2.79Å
128V94.4Very high96.9Very high56 Ų5660.8 Ų60.834%0.33934%0.335SS..  trans-78.6120.5-172-176.80000110.4P124 E126 P186 W209 A211P124-V128 HydrophobicContact CB-CG2 3.96Å; P124-V128 HydrophobicContact CG-CG2 3.71Å; E126-V128 PolarHBondContact O-N 3.43Å; V128-P186 HydrophobicContact CG1-CB 3.72Å; V128-P186 HydrophobicContact CG1-CG 3.94Å; V128-W209 HydrophobicContact CG1-CH2 4.42Å; V128-W209 HydrophobicContact CG2-CH2 4.23Å; V128-W209 HydrophobicContact CG2-CZ2 3.72Å; V128-A211 HydrophobicContact CG1-CB 4.09Å
129E93.3Very high96.9Very high105 Ų10562 Ų6249%0.49134%0.34SS..  trans-121123.1168.6-64.8-171.7-160.200109.1P127 G131 Q132P127-E129 PolarHBondContact O-N 2.69Å; E129-G131 PolarHBondContact O-N 3.09Å; E129-Q132 HydrophobicContact CB-CB 4.17Å; E129-Q132 HydrophobicContact CB-CG 4.16Å; E129-Q132 PolarHBondContact O-N 3.16Å; E129-Q132 PolarHBondContact OE2-NE2 3.09Å; E129-Q132 PolarHBondContact OE2-OE1 3.28Å
130L93.5Very high96.9Very high105 Ų10557 Ų5755%0.5532%0.316SS..THydrogen-bonded Turntrans-60.3134.8-177.9-62.6-179.3000110.9Q132 P186 A188 A211L130-Q132 PolarHBondContact O-N 3.11Å; L130-P186 HydrophobicContact CD2-CB 4.28Å; L130-A188 HydrophobicContact CD1-CB 4.19Å; L130-A188 HydrophobicContact CD2-CB 4.5Å; L130-A211 HydrophobicContact CD2-CB 4.23Å
131G92.5Very high96.9Very high56 Ų5657.5 Ų57.558%0.57732%0.319SS*.THydrogen-bonded Turntrans76.6-2.7-179.400000115.7E129 P186E129-G131 PolarHBondContact O-N 3.09Å; G131-P186 PolarHBondContact N-O 3.29Å
132Q95.5Very high96.8Very high105 Ų10558 Ų5849%0.49132%0.315SS..SBendtrans-100.4133.3174.4-66.4-168.425.900111.7E129 L130 N134 P186E129-Q132 HydrophobicContact CB-CB 4.17Å; E129-Q132 HydrophobicContact CB-CG 4.16Å; E129-Q132 PolarHBondContact O-N 3.16Å; E129-Q132 PolarHBondContact OE2-NE2 3.09Å; E129-Q132 PolarHBondContact OE2-OE1 3.28Å; L130-Q132 PolarHBondContact O-N 3.11Å; Q132-N134 PolarHBondContact O-N 2.81Å; Q132-P186 WeakPolarHBondContact O-CD 3.28Å
133P97.8Very high96.8Very high114 Ų11457.1 Ų57.174%0.7431%0.31SS*.  trans-55.1136.1178.5-25.634.3000113.1V185P133-V185 HydrophobicContact CG-CG2 4.47Å
134N97.6Very high96.8Very high15 Ų1556 Ų568%0.0831%0.305CS..EExtended strand (participates in β ladder)trans-145.2-179.6177.3-158.7-24.6000109.5E126 P127 Q132 T183 F184 P186E126-N134 PolarHBondContact N-OD1 3.08Å; E126-N134 PolarHBondContact O-ND2 3.01Å; P127-N134 PolarHBondContact O-ND2 2.79Å; Q132-N134 PolarHBondContact O-N 2.81Å; N134-T183 WeakPolarHBondContact O-CA 3.24Å; N134-F184 HydrophobicContact CB-CD1 4.3Å; N134-F184 HydrophobicContact CB-CE1 3.69Å; N134-F184 HydrophobicContact CB-CZ 4.3Å; N134-F184 PolarHBondContact N-O 2.9Å; N134-F184 PolarHBondContact O-N 2.82Å; N134-F184 VanDerWaalsContact O-O 3.11Å; N134-P186 HydrophobicContact CB-CG 4.21Å
135T98.4Very high96.8Very high29 Ų2954.6 Ų54.618%0.17830%0.296CS..EExtended strand (participates in β ladder)trans-130124.9176.5-58.80000109.2P124 K125 Y181 L182P124-T135 CarbonylContact C-O 3.56Å; P124-T135 WeakPolarHBondContact CA-O 3.5Å; K125-T135 WeakPolarHBondContact CB-O 3.23Å; K125-T135 PolarHBondContact N-O 2.89Å; T135-Y181 HydrophobicContact CG2-CD1 4.2Å; T135-L182 CarbonylContact C-O 3.09Å; T135-L182 WeakPolarHBondContact CA-O 3.34Å
136L98.3Very high96.9Very high0 Ų048.6 Ų48.60%027%0.27CS..EExtended strand (participates in β ladder)trans-81.2137165.6-77.9172.5000109.9V122 P124 W152 Y181 L182 F184 Y192 W209V122-L136 HydrophobicContact CG1-CD2 4.19Å; P124-L136 HydrophobicContact CB-CD2 4.35Å; L136-W152 HydrophobicContact CB-CH2 3.67Å; L136-W152 HydrophobicContact CB-CZ2 4.17Å; L136-W152 HydrophobicContact CB-CZ3 4.14Å; L136-W152 HydrophobicContact CD1-CH2 4.49Å; L136-W152 HydrophobicContact CD1-CZ3 4.14Å; L136-Y181 CarbonylContact O-C 3.57Å; L136-Y181 WeakPolarHBondContact O-CA 3.43Å; L136-L182 HydrophobicContact CB-CB 4.41Å; L136-L182 PolarHBondContact N-O 3.21Å; L136-L182 PolarHBondContact O-N 2.8Å; L136-F184 HydrophobicContact CB-CE1 4.37Å; L136-F184 HydrophobicContact CD1-CD1 4.44Å; L136-F184 HydrophobicContact CD1-CE1 4.31Å; L136-F184 HydrophobicContact CD1-CE2 4.32Å; L136-F184 HydrophobicContact CD1-CZ 4.22Å; L136-F184 HydrophobicContact CD2-CE1 4.21Å; L136-F184 HydrophobicContact CD2-CZ 4.11Å; L136-F184 HydrophobicContact CG-CD1 3.96Å; L136-F184 HydrophobicContact CG-CE1 3.56Å; L136-F184 HydrophobicContact CG-CE2 4.35Å; L136-F184 HydrophobicContact CG-CZ 3.76Å; L136-Y192 HydrophobicContact CD1-CD1 4.14Å; L136-Y192 HydrophobicContact CD1-CD2 3.86Å; L136-Y192 HydrophobicContact CD1-CG 3.6Å; L136-W209 HydrophobicContact CD1-CD2 4.15Å; L136-W209 HydrophobicContact CD1-CE3 3.72Å; L136-W209 HydrophobicContact CD1-CZ3 4.11Å; L136-W209 HydrophobicContact CD2-CD2 3.43Å; L136-W209 VanDerWaalsContact CD2-CD2 3.43Å; L136-W209 VanDerWaalsContact CD2-CE2 3.48Å; L136-W209 HydrophobicContact CD2-CE3 3.77Å; L136-W209 HydrophobicContact CD2-CG 3.84Å; L136-W209 HydrophobicContact CD2-CH2 4.17Å; L136-W209 HydrophobicContact CD2-CZ2 3.85Å; L136-W209 HydrophobicContact CD2-CZ3 4.14Å; L136-W209 HydrophobicContact CG-CD2 4.42Å; L136-W209 HydrophobicContact CG-CE3 4.32Å
137I98.8Very high96.9Very high20 Ų2044.3 Ų44.310%0.10325%0.252CS..EExtended strand (participates in β ladder)trans-115.7121.2178.6-53.9178.1000107.2V122 F123 K125 F179 Y181V122-I137 VanDerWaalsContact CA-O 3.28Å; V122-I137 WeakPolarHBondContact CA-O 3.47Å; F123-I137 HydrophobicContact CD2-CB 4.22Å; F123-I137 HydrophobicContact CD2-CD1 4.38Å; F123-I137 HydrophobicContact CE1-CG2 4.33Å; F123-I137 HydrophobicContact CE2-CB 3.9Å; F123-I137 HydrophobicContact CE2-CD1 3.81Å; F123-I137 HydrophobicContact CE2-CG1 4.37Å; F123-I137 HydrophobicContact CE2-CG2 4.07Å; F123-I137 HydrophobicContact CZ-CB 4.08Å; F123-I137 HydrophobicContact CZ-CG2 3.79Å; F123-I137 PolarHBondContact N-O 2.88Å; F123-I137 PolarHBondContact O-N 3.48Å; K125-I137 HydrophobicContact CB-CD1 3.97Å; K125-I137 HydrophobicContact CB-CG1 4.43Å; K125-I137 HydrophobicContact CG-CD1 4.37Å; I137-F179 HydrophobicContact CG2-CD1 3.73Å; I137-F179 HydrophobicContact CG2-CE1 4.45Å; I137-Y181 HydrophobicContact CD1-CE1 4.37Å; I137-Y181 HydrophobicContact CG1-CD1 3.98Å; I137-Y181 HydrophobicContact CG1-CE1 4.14Å; I137-Y181 HydrophobicContact CG2-CD1 4.35Å; I137-Y181 HydrophobicContact CG2-CE1 4.08Å
138C98.8Very high97Very high0 Ų040.7 Ų40.70%023%0.226CC..EExtended strand (participates in β ladder)trans-100.3109166.9-175.50000108V120 T121 V122 I140 W152 F179 H180 C194V120-C138 VanDerWaalsContact CG1-SG 3.56Å; T121-C138 CarbonylContact O-C 3.57Å; T121-C138 WeakPolarHBondContact O-CA 3.3Å; V122-C138 HydrophobicContact CG2-CB 4.1Å; C138-I140 HydrophobicContact CB-CD1 4.49Å; C138-W152 HydrophobicContact CB-CH2 3.76Å; C138-W152 HydrophobicContact CB-CZ2 3.48Å; C138-W152 VanDerWaalsContact CB-CZ2 3.48Å; C138-F179 WeakPolarHBondContact O-CA 3.26Å; C138-H180 HydrophobicContact CB-CB 4.08Å; C138-H180 PolarHBondContact N-O 3.38Å; C138-H180 PolarHBondContact O-N 2.89Å; C138-C194 HydrophobicContact CB-CB 3.67Å; C138-C194 WeakPolarHBondContact CB-SG 3.23Å; C138-C194 WeakPolarHBondContact SG-CB 3.21Å; C138-C194 CovalentContact SG-SG 2.03Å; C138-C194 PolarHBondContact SG-SG 3.28Å
139H98.7Very high97.2Very high36 Ų3641.9 Ų41.917%0.16723%0.23CC..EExtended strand (participates in β ladder)trans-96.5114.2174.7176.6-139.3000108.7V120 T121 F123 D141 H177 F179V120-H139 WeakPolarHBondContact CA-O 3.47Å; T121-H139 PolarHBondContact N-O 3.06Å; T121-H139 PolarHBondContact O-N 2.82Å; F123-H139 HydrophobicContact CE1-CB 3.92Å; F123-H139 HydrophobicContact CZ-CB 4.46Å; H139-D141 IonicContact CE1-OD2 3.8Å; H139-H177 AromaticContact NE2-CG 3.91Å; H139-H177 AromaticContact NE2-ND1 3.41Å; H139-H177 PolarHBondContact NE2-ND1 3Å; H139-F179 HydrophobicContact CB-CD1 3.89Å; H139-F179 HydrophobicContact CB-CE1 3.76Å; H139-F179 AromaticContact CD2-CD1 3.87Å; H139-F179 AromaticContact CD2-CE1 3.39Å; H139-F179 WeakPolarHBondContact CD2-CE1 3.44Å; H139-F179 AromaticContact CD2-CZ 3.65Å; H139-F179 AromaticContact CG-CE1 3.58Å; H139-F179 AromaticContact NE2-CZ 4Å
140I98.8Very high97.4Very high0 Ų037.8 Ų37.80%021%0.213CC..EExtended strand (participates in β ladder)trans-102.4117.3176.9-53.798.8000107.1P118 V120 C138 F143 L148 V150 H177 K178 H180 V196P118-I140 HydrophobicContact CB-CG2 3.39Å; P118-I140 HydrophobicContact CG-CG2 4.22Å; V120-I140 HydrophobicContact CG2-CB 4.45Å; V120-I140 HydrophobicContact CG2-CG1 4.17Å; V120-I140 HydrophobicContact CG2-CG2 4.11Å; C138-I140 HydrophobicContact CB-CD1 4.49Å; I140-F143 HydrophobicContact CB-CE1 4.3Å; I140-F143 HydrophobicContact CG2-CD1 3.72Å; I140-F143 HydrophobicContact CG2-CE1 3.9Å; I140-F143 WeakPolarHBondContact O-CE1 3.39Å; I140-L148 HydrophobicContact CB-CD1 4.32Å; I140-L148 HydrophobicContact CG2-CD1 3.85Å; I140-L148 HydrophobicContact CG2-CD2 4.27Å; I140-V150 HydrophobicContact CD1-CG2 4.19Å; I140-H177 CarbonylContact O-C 3.54Å; I140-H177 WeakPolarHBondContact O-CA 3.37Å; I140-H177 WeakPolarHBondContact O-CB 3.33Å; I140-K178 PolarHBondContact N-O 2.87Å; I140-K178 PolarHBondContact O-N 3.26Å; I140-H180 HydrophobicContact CD1-CB 4.33Å; I140-V196 HydrophobicContact CG1-CG1 4.36Å; I140-V196 HydrophobicContact CG1-CG2 3.85Å; I140-V196 HydrophobicContact CG2-CG1 4.12Å
141D98.3Very high97.7Very high21 Ų2134 Ų3411%0.11219%0.194CC..EExtended strand (participates in β ladder)trans-125.2156.8-168.4-162.116.6000112.5P118 E119 H139 F143 R171 H177P118-D141 CarbonylContact C-O 3.54Å; P118-D141 WeakPolarHBondContact CA-O 3.34Å; E119-D141 PolarHBondContact N-O 3.24Å; E119-D141 PolarHBondContact O-N 3.07Å; H139-D141 IonicContact CE1-OD2 3.8Å; D141-F143 VanDerWaalsContact C-N 3.33Å; D141-F143 PolarHBondContact O-N 2.84Å; D141-R171 VanDerWaalsContact OD1-CD 3.24Å; D141-R171 WeakPolarHBondContact OD1-CD 3.48Å; D141-R171 IonicContact OD1-CZ 3.77Å; D141-R171 IonicContact OD1-NE 2.9Å; D141-R171 IonicContact OD1-NH1 3.76Å; D141-R171 PolarHBondContact OD1-NH1 3.05Å; D141-R171 IonicContact OD2-CZ 2.73Å; D141-R171 IonicContact OD2-NH1 3.39Å; D141-R171 PolarHBondContact OD2-NH1 2.03Å; D141-H177 HydrophobicContact CB-CB 4.39Å; D141-H177 VanDerWaalsContact OD1-CB 3.28Å; D141-H177 WeakPolarHBondContact OD1-CB 3.4Å
142K97.5Very high97.9Very high75 Ų7531.4 Ų31.433%0.32617%0.167SC..EExtended strand (participates in β ladder)trans56.232.9172.2-54.1175.3-171.2152.90116.3E119 F176E119-K142 WeakPolarHBondContact OE1-CD 3.04Å; E119-K142 IonicContact OE1-NZ 2.96Å; E119-K142 PolarHBondContact OE1-NZ 2.88Å; E119-K142 IonicContact OE2-NZ 2.87Å; E119-K142 PolarHBondContact OE2-NZ 2.91Å; K142-F176 PolarHBondContact N-O 2.79Å; K142-F176 VanDerWaalsContact N-O 3.08Å
143F98.3Very high98.1Very high0 Ų027.1 Ų27.10%015%0.147CC..EExtended strand (participates in β ladder)trans-101.5151-179.465.8-86000112.5D116 P118 I140 D141 L148 F168 F176 K178 H198D116-F143 WeakPolarHBondContact O-CA 3.43Å; P118-F143 HydrophobicContact CB-CB 3.83Å; P118-F143 HydrophobicContact CB-CD1 4.38Å; P118-F143 HydrophobicContact CB-CG 4.41Å; I140-F143 HydrophobicContact CB-CE1 4.3Å; I140-F143 HydrophobicContact CG2-CD1 3.72Å; I140-F143 HydrophobicContact CG2-CE1 3.9Å; I140-F143 WeakPolarHBondContact O-CE1 3.39Å; D141-F143 VanDerWaalsContact C-N 3.33Å; D141-F143 PolarHBondContact O-N 2.84Å; F143-L148 HydrophobicContact CD1-CD1 4.2Å; F143-L148 HydrophobicContact CD2-CD1 4.06Å; F143-L148 HydrophobicContact CD2-CD2 4.24Å; F143-L148 HydrophobicContact CD2-CG 4.03Å; F143-L148 HydrophobicContact CE1-CD1 3.61Å; F143-L148 HydrophobicContact CE2-CD1 3.46Å; F143-L148 VanDerWaalsContact CE2-CD1 3.46Å; F143-L148 HydrophobicContact CE2-CD2 4.37Å; F143-L148 HydrophobicContact CE2-CG 3.68Å; F143-L148 HydrophobicContact CG-CD1 4.41Å; F143-L148 HydrophobicContact CZ-CD1 3.22Å; F143-L148 HydrophobicContact CZ-CG 4.01Å; F143-F168 AromaticContact CE2-CD1 3.66Å; F143-F168 HydrophobicContact CE2-CD1 3.66Å; F143-F168 AromaticContact CE2-CE1 3.72Å; F143-F168 HydrophobicContact CE2-CE1 3.72Å; F143-F168 AromaticContact CZ-CD1 3.64Å; F143-F168 HydrophobicContact CZ-CD1 3.64Å; F143-F168 AromaticContact CZ-CE1 3.92Å; F143-F168 HydrophobicContact CZ-CE1 3.92Å; F143-F176 WeakPolarHBondContact CD1-O 3.36Å; F143-F176 HydrophobicContact CD2-CB 4.33Å; F143-F176 HydrophobicContact CE1-CB 4.15Å; F143-F176 WeakPolarHBondContact CE1-O 3.49Å; F143-F176 HydrophobicContact CE2-CB 3.84Å; F143-F176 HydrophobicContact CZ-CB 3.72Å; F143-F176 PolarHBondContact N-O 2.97Å; F143-F176 VanDerWaalsContact N-O 3.11Å; F143-F176 PolarHBondContact O-N 2.9Å; F143-K178 HydrophobicContact CE1-CB 4.12Å; F143-K178 HydrophobicContact CZ-CB 4.02Å; F143-H198 AromaticContact CD2-CD2 3.9Å; F143-H198 AromaticContact CD2-NE2 3.9Å
144F98.1Very high98.1Very high57 Ų5722.9 Ų22.925%0.2512%0.12CC..BIsolated β-bridgetrans-151.7138.6170.9-172.5-78.4000109.1A113 A114 N115 D116 F176 H198A113-F144 HydrophobicContact CB-CD1 4.33Å; A113-F144 HydrophobicContact CB-CE1 3.47Å; A113-F144 VanDerWaalsContact CB-CE1 3.47Å; A113-F144 HydrophobicContact CB-CZ 4.27Å; A114-F144 WeakPolarHBondContact O-CD1 3Å; N115-F144 CarbonylContact C-O 3.44Å; N115-F144 WeakPolarHBondContact CA-O 3.48Å; D116-F144 HydrophobicContact CB-CB 4.21Å; D116-F144 PolarHBondContact N-O 2.85Å; D116-F144 PolarHBondContact O-N 2.93Å; D116-F144 VanDerWaalsContact O-N 3.16Å; F144-F176 HydrophobicContact CD2-CD2 4.04Å; F144-F176 AromaticContact CD2-CE2 3.83Å; F144-F176 HydrophobicContact CD2-CE2 3.83Å; F144-F176 AromaticContact CE2-CE2 3.92Å; F144-F176 HydrophobicContact CE2-CE2 3.92Å; F144-H198 PolarHBondContact O-CE1 3.42Å; F144-H198 PolarHBondContact O-NE2 2.88Å
145P97.7Very high98.1Very high8 Ų825.2 Ų25.25%0.05213%0.133CC..SBendcis-76.1171.81.129.4-33.3000113.1N115 V147 H198 W199N115-P145 WeakPolarHBondContact OD1-CD 3.41Å; P145-V147 HydrophobicContact CG-CG2 4.43Å; P145-V147 PolarHBondContact O-N 2.84Å; P145-H198 PolarHBondContact O-NE2 3.35Å; P145-W199 HydrophobicContact CB-CZ3 4.5Å; P145-W199 HydrophobicContact CG-CD2 4.47Å; P145-W199 HydrophobicContact CG-CE3 3.41Å; P145-W199 VanDerWaalsContact CG-CE3 3.41Å; P145-W199 HydrophobicContact CG-CH2 4.42Å; P145-W199 HydrophobicContact CG-CZ3 3.38Å
146P97.4Very high98.1Very high2 Ų225.6 Ų25.61%0.01314%0.142CC..SBendtrans-72.567.3175.731-35.3000111.6F43 Q45 F168 F176F43-P146 HydrophobicContact CD1-CG 4.18Å; F43-P146 HydrophobicContact CD2-CG 3.69Å; F43-P146 HydrophobicContact CE1-CB 3.99Å; F43-P146 HydrophobicContact CE1-CG 3.95Å; F43-P146 HydrophobicContact CE2-CB 4.14Å; F43-P146 HydrophobicContact CE2-CG 3.45Å; F43-P146 VanDerWaalsContact CE2-CG 3.45Å; F43-P146 HydrophobicContact CG-CG 4.06Å; F43-P146 HydrophobicContact CZ-CB 3.76Å; F43-P146 HydrophobicContact CZ-CG 3.59Å; Q45-P146 PolarHBondContact NE2-O 3.08Å; P146-F168 HydrophobicContact CB-CB 4.08Å; P146-F168 HydrophobicContact CB-CD1 3.53Å; P146-F168 HydrophobicContact CB-CD2 4.41Å; P146-F168 HydrophobicContact CB-CE1 4.04Å; P146-F168 HydrophobicContact CB-CG 3.74Å; P146-F176 HydrophobicContact CB-CD1 4.17Å; P146-F176 HydrophobicContact CB-CD2 3.86Å; P146-F176 HydrophobicContact CB-CE1 4.22Å; P146-F176 HydrophobicContact CB-CE2 3.94Å; P146-F176 HydrophobicContact CB-CG 3.98Å; P146-F176 HydrophobicContact CB-CZ 4.11Å; P146-F176 HydrophobicContact CG-CD2 4.12Å; P146-F176 HydrophobicContact CG-CE1 4.41Å; P146-F176 HydrophobicContact CG-CE2 3.72Å; P146-F176 HydrophobicContact CG-CZ 3.86Å
147V96.4Very high98.1Very high19 Ų1932.1 Ų32.112%0.11517%0.172CC..  trans-137.1116.8175.7-179.50000108.2P145 H198 W199P145-V147 HydrophobicContact CG-CG2 4.43Å; P145-V147 PolarHBondContact O-N 2.84Å; V147-H198 PolarHBondContact O-CD2 3.07Å; V147-W199 HydrophobicContact CB-CH2 4.18Å; V147-W199 HydrophobicContact CB-CZ2 4.07Å; V147-W199 HydrophobicContact CG1-CH2 4.24Å; V147-W199 HydrophobicContact CG1-CZ2 3.67Å; V147-W199 HydrophobicContact CG2-CH2 3.66Å; V147-W199 HydrophobicContact CG2-CZ2 3.96Å; V147-W199 HydrophobicContact CG2-CZ3 4.17Å
148L97.2Very high98Very high31 Ų3135 Ų3516%0.16219%0.193CC..  trans-138.9147.9179.9-73.6174.4000110.3I140 F143 V150 F168 K178 V196 H198I140-L148 HydrophobicContact CB-CD1 4.32Å; I140-L148 HydrophobicContact CG2-CD1 3.85Å; I140-L148 HydrophobicContact CG2-CD2 4.27Å; F143-L148 HydrophobicContact CD1-CD1 4.2Å; F143-L148 HydrophobicContact CD2-CD1 4.06Å; F143-L148 HydrophobicContact CD2-CD2 4.24Å; F143-L148 HydrophobicContact CD2-CG 4.03Å; F143-L148 HydrophobicContact CE1-CD1 3.61Å; F143-L148 HydrophobicContact CE2-CD1 3.46Å; F143-L148 VanDerWaalsContact CE2-CD1 3.46Å; F143-L148 HydrophobicContact CE2-CD2 4.37Å; F143-L148 HydrophobicContact CE2-CG 3.68Å; F143-L148 HydrophobicContact CG-CD1 4.41Å; F143-L148 HydrophobicContact CZ-CD1 3.22Å; F143-L148 HydrophobicContact CZ-CG 4.01Å; L148-V150 HydrophobicContact CB-CG2 4.2Å; L148-F168 HydrophobicContact CB-CE1 4.36Å; L148-F168 HydrophobicContact CD1-CE1 4.15Å; L148-F168 HydrophobicContact CG-CE1 4.23Å; L148-K178 HydrophobicContact CD1-CB 4.32Å; L148-K178 HydrophobicContact CD1-CD 3.98Å; L148-V196 HydrophobicContact CD2-CG1 3.86Å; L148-H198 HydrophobicContact CD2-CB 3.79Å
149N97.8Very high98Very high81 Ų8137 Ų3743%0.43321%0.205SC..EExtended strand (participates in β ladder)trans-120.9119.5159.4176.625.4000107.8E197N149-E197 HydrophobicContact CB-CB 4.13Å; N149-E197 PolarHBondContact N-O 3.3Å; N149-E197 VanDerWaalsContact N-O 3.08Å; N149-E197 PolarHBondContact ND2-OE1 3.31Å; N149-E197 PolarHBondContact O-N 2.74Å
150V98.4Very high97.9Very high19 Ų1941.2 Ų41.212%0.11523%0.233CC..EExtended strand (participates in β ladder)trans-121.3131.7-175.9-174.10000108.7I140 L148 H180 R195 V196I140-V150 HydrophobicContact CD1-CG2 4.19Å; L148-V150 HydrophobicContact CB-CG2 4.2Å; V150-H180 HydrophobicContact CG1-CB 3.96Å; V150-H180 WeakPolarHBondContact CG1-ND1 3.34Å; V150-R195 CarbonylContact C-O 3.59Å; V150-R195 VanDerWaalsContact CA-O 3.3Å; V150-R195 WeakPolarHBondContact CA-O 3.45Å; V150-V196 HydrophobicContact CG1-CG2 4.28Å; V150-V196 HydrophobicContact CG2-CG2 4.36Å
151T98.6Very high97.9Very high26 Ų2649.2 Ų49.216%0.1627%0.271CS..EExtended strand (participates in β ladder)trans-132.8131.4177.9-45.20000109.3L153 P158 R195T151-L153 HydrophobicContact CG2-CD2 4.09Å; T151-P158 HydrophobicContact CG2-CB 4.09Å; T151-R195 PolarHBondContact N-O 3.35Å; T151-R195 WeakPolarHBondContact O-CB 3.21Å; T151-R195 PolarHBondContact O-N 3.48Å; T151-R195 PolarHBondContact OG1-NH2 2.79Å
152W98.7Very high97.8Very high2 Ų249.8 Ų49.81%0.00828%0.281CS..EExtended strand (participates in β ladder)trans-82.8134.1166.2-76.9104.8000110.4V122 L136 C138 P158 V159 V163 Y181 L182 C194V122-W152 HydrophobicContact CG1-CH2 3.92Å; V122-W152 HydrophobicContact CG1-CZ3 4.2Å; V122-W152 HydrophobicContact CG2-CH2 4.31Å; L136-W152 HydrophobicContact CB-CH2 3.67Å; L136-W152 HydrophobicContact CB-CZ2 4.17Å; L136-W152 HydrophobicContact CB-CZ3 4.14Å; L136-W152 HydrophobicContact CD1-CH2 4.49Å; L136-W152 HydrophobicContact CD1-CZ3 4.14Å; C138-W152 HydrophobicContact CB-CH2 3.76Å; C138-W152 HydrophobicContact CB-CZ2 3.48Å; C138-W152 VanDerWaalsContact CB-CZ2 3.48Å; W152-P158 WeakPolarHBondContact O-CA 3.49Å; W152-V159 PolarHBondContact O-N 3.41Å; W152-V163 HydrophobicContact CB-CG2 4.49Å; W152-V163 HydrophobicContact CG-CG2 4.48Å; W152-Y181 PolarHBondContact NE1-O 3.43Å; W152-L182 HydrophobicContact CB-CD2 4.08Å; W152-L182 HydrophobicContact CD2-CB 3.76Å; W152-L182 HydrophobicContact CD2-CD2 3.93Å; W152-L182 HydrophobicContact CD2-CG 4.44Å; W152-L182 HydrophobicContact CE3-CB 4.4Å; W152-L182 HydrophobicContact CE3-CD2 3.98Å; W152-L182 HydrophobicContact CG-CB 3.87Å; W152-L182 HydrophobicContact CG-CD2 4Å; W152-L182 HydrophobicContact CG-CG 4.35Å; W152-L182 HydrophobicContact CZ2-CB 4.15Å; W152-C194 HydrophobicContact CE3-CB 4.22Å; W152-C194 HydrophobicContact CH2-CB 4.08Å; W152-C194 HydrophobicContact CZ3-CB 3.91Å
153L98.7Very high97.8Very high14 Ų1448.6 Ų48.67%0.07328%0.28CS..EExtended strand (participates in β ladder)trans-114.2138170.8-49.1177.8000108.7T151 E157 P158 Y192 D193 R195 L206T151-L153 HydrophobicContact CG2-CD2 4.09Å; L153-E157 CarbonylContact C-O 3.57Å; L153-E157 VanDerWaalsContact CA-O 3.23Å; L153-E157 WeakPolarHBondContact CA-O 3.33Å; L153-P158 HydrophobicContact CD2-CB 4.13Å; L153-Y192 CarbonylContact O-C 3.57Å; L153-Y192 WeakPolarHBondContact O-CA 3.26Å; L153-D193 HydrophobicContact CB-CB 4.2Å; L153-D193 HydrophobicContact CD1-CB 4.32Å; L153-D193 PolarHBondContact N-O 3.2Å; L153-D193 PolarHBondContact O-N 2.8Å; L153-R195 HydrophobicContact CD1-CB 4.47Å; L153-L206 HydrophobicContact CD1-CD2 3.85Å
154C98.1Very high97.8Very high25 Ų2551.1 Ų51.117%0.16930%0.301CS..EExtended strand (participates in β ladder)trans-117.3120.1166.7-179.90000107.3G156 E157 V159 Y191 Y192C154-G156 PolarHBondContact O-N 3.02Å; C154-G156 VanDerWaalsContact O-N 3.16Å; C154-E157 PolarHBondContact N-O 2.57Å; C154-E157 PolarHBondContact O-N 3.26Å; C154-V159 HydrophobicContact CB-CG2 3.51Å; C154-Y191 WeakPolarHBondContact CA-O 3.43Å; C154-Y192 HydrophobicContact CB-CD1 3.97Å; C154-Y192 HydrophobicContact CB-CE1 3.83Å
155N97.7Very high97.7Very high65 Ų6553.9 Ų53.935%0.34832%0.315SS..THydrogen-bonded Turntrans52.734.7-175.8-58.2-37.1000114.1E157 D190 Y191N155-E157 VanDerWaalsContact C-N 3.32Å; N155-E157 PolarHBondContact O-N 3.24Å; N155-D190 PolarHBondContact ND2-OD1 3.32Å; N155-D190 WeakPolarHBondContact OD1-CA 3.17Å; N155-Y191 VanDerWaalsContact C-OH 3.24Å; N155-Y191 VanDerWaalsContact CA-CZ 3.45Å; N155-Y191 HydrophobicContact CB-CE1 4.18Å; N155-Y191 PolarHBondContact N-O 2.8Å; N155-Y191 VanDerWaalsContact OD1-CD1 3.22Å; N155-Y191 WeakPolarHBondContact OD1-CD1 3.29Å; N155-Y191 PolarHBondContact OD1-N 3.32Å
156G97.6Very high97.6Very high37 Ų3754.2 Ų54.238%0.38132%0.317SS..THydrogen-bonded Turntrans85.2-9.2-177.900000115.5C154 Y191C154-G156 PolarHBondContact O-N 3.02Å; C154-G156 VanDerWaalsContact O-N 3.16Å; G156-Y191 PolarHBondContact N-OH 2.66Å
157E98.2Very high97.5Very high136 Ų13655.1 Ų55.164%0.63632%0.322SS*.EExtended strand (participates in β ladder)trans-98.5139.4-179.8-67.2-62.115100111.8L153 C154 N155L153-E157 CarbonylContact C-O 3.57Å; L153-E157 VanDerWaalsContact CA-O 3.23Å; L153-E157 WeakPolarHBondContact CA-O 3.33Å; C154-E157 PolarHBondContact N-O 2.57Å; C154-E157 PolarHBondContact O-N 3.26Å; N155-E157 VanDerWaalsContact C-N 3.32Å; N155-E157 PolarHBondContact O-N 3.24Å
158P98.1Very high97.6Very high81 Ų8155 Ų5553%0.52632%0.32SS..EExtended strand (participates in β ladder)trans-68.5135.8-177.728.3-34000112.7T151 W152 L153T151-P158 HydrophobicContact CG2-CB 4.09Å; W152-P158 WeakPolarHBondContact O-CA 3.49Å; L153-P158 HydrophobicContact CD2-CB 4.13Å
159V97.5Very high97.5Very high43 Ų4354 Ų5426%0.26131%0.314SS..EExtended strand (participates in β ladder)trans-118.5131.7176.8-176.60000110W152 C154 L182W152-V159 PolarHBondContact O-N 3.41Å; C154-V159 HydrophobicContact CB-CG2 3.51Å; V159-L182 HydrophobicContact CG1-CD1 3.9Å
160T97.2Very high97.3Very high124 Ų12451.5 Ų51.576%0.76130%0.303SS*.  trans-120.8-18.6177.558.90000113V163T160-V163 PolarHBondContact O-N 3.41Å
161E97.7Very high97.1Very high167 Ų16754.3 Ų54.378%0.7831%0.311SS*.THydrogen-bonded Turntrans-70.9134.7176.7-173.9173.8-175.200110V163E161-V163 PolarHBondContact O-N 3.35Å
162G96.9Very high96.7Very high33 Ų3359.8 Ų59.834%0.3435%0.345SS..THydrogen-bonded Turntrans71.810-179.500000114.8T183G162-T183 WeakPolarHBondContact CA-OG1 3.27Å; G162-T183 PolarHBondContact O-N 3.11Å; G162-T183 PolarHBondContact O-OG1 2.88Å
163V98.3Very high96.3Very high50 Ų5063.8 Ų63.830%0.30337%0.367SS..EExtended strand (participates in β ladder)trans-84.8133.7176.1177.60000110.5W152 T160 E161 Y181 L182W152-V163 HydrophobicContact CB-CG2 4.49Å; W152-V163 HydrophobicContact CG-CG2 4.48Å; T160-V163 PolarHBondContact O-N 3.41Å; E161-V163 PolarHBondContact O-N 3.35Å; V163-Y181 VanDerWaalsContact CA-O 3.27Å; V163-Y181 WeakPolarHBondContact CA-O 3.42Å; V163-L182 HydrophobicContact CG2-CD1 3.78Å
164A97.4Very high96Very high53 Ų5372.7 Ų72.744%0.43840%0.401SS..EExtended strand (participates in β ladder)trans-139.6164.9171.900000110Y181A164-Y181 HydrophobicContact CB-CD2 4.27Å; A164-Y181 PolarHBondContact N-O 3.11Å; A164-Y181 VanDerWaalsContact N-O 3.11Å; A164-Y181 PolarHBondContact O-N 3.25Å
165E96.3Very high95.9Very high116 Ų11672 Ų7254%0.54240%0.396SS..EExtended strand (participates in β ladder)trans-144.8152.1179.266.3-178.4144.900111.9K178 F179 H180E165-K178 WeakPolarHBondContact OE2-CE 3.39Å; E165-K178 IonicContact OE2-NZ 2.69Å; E165-K178 PolarHBondContact OE2-NZ 3.48Å; E165-F179 WeakPolarHBondContact CA-O 3.47Å; E165-H180 VanDerWaalsContact CB-CD2 3.44Å; E165-H180 WeakPolarHBondContact CB-CD2 2.82Å; E165-H180 VanDerWaalsContact CB-NE2 3.27Å; E165-H180 WeakPolarHBondContact CB-NE2 3.34Å; E165-H180 IonicContact OE2-CD2 3.85Å; E165-H180 IonicContact OE2-CE1 3.8Å; E165-H180 IonicContact OE2-NE2 3.01Å; E165-H180 PolarHBondContact OE2-NE2 2.89Å
166S95.5Very high95.9Very high14 Ų1469.9 Ų69.910%0.09838%0.384CS..  trans-79.7176.8168720000111.1K178 F179S166-K178 PolarHBondContact O-NZ 3.12Å; S166-F179 PolarHBondContact N-O 2.88Å; S166-F179 PolarHBondContact OG-N 2.91Å
167L95.9Very high95.9Very high21 Ų2169.6 Ų69.611%0.1137%0.373CS..  trans-70.1-179.1163.5-61.7172.1000112.4E52 M54 E61 Y64 L169E52-L167 HydrophobicContact CG-CD2 4.47Å; E52-L167 WeakPolarHBondContact OE2-CD2 3.25Å; M54-L167 HydrophobicContact CB-CD1 3.79Å; M54-L167 HydrophobicContact CE-CB 4.31Å; M54-L167 HydrophobicContact CE-CD1 4.13Å; M54-L167 HydrophobicContact CG-CD1 4.47Å; E61-L167 VanDerWaalsContact CD-CD1 3.48Å; E61-L167 HydrophobicContact CG-CD1 4.14Å; E61-L167 VanDerWaalsContact OE1-CD1 3.32Å; E61-L167 WeakPolarHBondContact OE1-CD1 2.91Å; Y64-L167 HydrophobicContact CD1-CD1 3.65Å; Y64-L167 HydrophobicContact CD1-CD2 4.02Å; Y64-L167 HydrophobicContact CD1-CG 4.2Å; Y64-L167 HydrophobicContact CD2-CD2 4.06Å; Y64-L167 HydrophobicContact CE1-CD2 4.3Å; Y64-L167 HydrophobicContact CE2-CD2 4.37Å; Y64-L167 HydrophobicContact CG-CD1 3.62Å; Y64-L167 HydrophobicContact CG-CD2 3.89Å; Y64-L167 HydrophobicContact CG-CG 4.31Å; L167-L169 PolarHBondContact O-N 2.7Å
168F97Very high95.9Very high16 Ų1663.6 Ų63.67%0.0734%0.344CS..  trans-81.298.2168.1-68.1-87.8000109.7F43 P49 E52 F143 P146 L148 F176 K178F43-F168 HydrophobicContact CE1-CB 4.01Å; F43-F168 HydrophobicContact CE1-CD2 4.44Å; F43-F168 HydrophobicContact CE1-CG 4.44Å; F43-F168 HydrophobicContact CZ-CD2 4.28Å; P49-F168 HydrophobicContact CG-CD2 4.29Å; P49-F168 HydrophobicContact CG-CE2 3.67Å; P49-F168 HydrophobicContact CG-CZ 4.3Å; E52-F168 PolarHBondContact OE1-N 3.31Å; E52-F168 VanDerWaalsContact OE1-N 3.15Å; E52-F168 PolarHBondContact OE2-N 3.25Å; F143-F168 AromaticContact CE2-CD1 3.66Å; F143-F168 HydrophobicContact CE2-CD1 3.66Å; F143-F168 AromaticContact CE2-CE1 3.72Å; F143-F168 HydrophobicContact CE2-CE1 3.72Å; F143-F168 AromaticContact CZ-CD1 3.64Å; F143-F168 HydrophobicContact CZ-CD1 3.64Å; F143-F168 AromaticContact CZ-CE1 3.92Å; F143-F168 HydrophobicContact CZ-CE1 3.92Å; P146-F168 HydrophobicContact CB-CB 4.08Å; P146-F168 HydrophobicContact CB-CD1 3.53Å; P146-F168 HydrophobicContact CB-CD2 4.41Å; P146-F168 HydrophobicContact CB-CE1 4.04Å; P146-F168 HydrophobicContact CB-CG 3.74Å; L148-F168 HydrophobicContact CB-CE1 4.36Å; L148-F168 HydrophobicContact CD1-CE1 4.15Å; L148-F168 HydrophobicContact CG-CE1 4.23Å; F168-F176 HydrophobicContact CB-CD1 3.77Å; F168-F176 HydrophobicContact CB-CE1 4.29Å; F168-F176 HydrophobicContact CB-CG 4.47Å; F168-K178 HydrophobicContact CD1-CD 4.25Å; F168-K178 HydrophobicContact CE1-CD 4Å; F168-K178 HydrophobicContact CZ-CD 4.25Å
169L96.1Very high95.9Very high10 Ų1061.9 Ų61.95%0.05233%0.329CS..EExtended strand (participates in β ladder)trans-78.3130.8-175.2-54.2170.5000110.1M54 E56 L167 F176 H177 F179M54-L169 HydrophobicContact CE-CD2 3.5Å; M54-L169 VanDerWaalsContact CE-CD2 3.5Å; E56-L169 WeakPolarHBondContact OE1-CD2 3.31Å; L167-L169 PolarHBondContact O-N 2.7Å; L169-F176 CarbonylContact O-C 3.57Å; L169-F176 VanDerWaalsContact O-CA 3.29Å; L169-F176 WeakPolarHBondContact O-CA 3.49Å; L169-H177 VanDerWaalsContact CB-CD2 3.43Å; L169-H177 WeakPolarHBondContact CB-CD2 3.5Å; L169-H177 VanDerWaalsContact CB-NE2 3.26Å; L169-H177 WeakPolarHBondContact CB-NE2 3.14Å; L169-H177 WeakPolarHBondContact CB-O 3.16Å; L169-H177 VanDerWaalsContact CD1-CE1 3.47Å; L169-H177 WeakPolarHBondContact CD1-CE1 3.41Å; L169-H177 PolarHBondContact N-O 3.11Å; L169-H177 PolarHBondContact O-CD2 3.45Å; L169-H177 PolarHBondContact O-N 2.82Å; L169-F179 HydrophobicContact CD1-CD2 3.6Å; L169-F179 HydrophobicContact CD1-CE2 3.58Å
170P94.4Very high95.9Very high30 Ų3060.4 Ų60.420%0.19532%0.319CS..EExtended strand (participates in β ladder)trans-74.2149.2-176.534.6-39.9000112T39 A41 E56T39-P170 HydrophobicContact CG2-CG 3.86Å; A41-P170 HydrophobicContact CB-CB 4.01Å; A41-P170 HydrophobicContact CB-CG 3.7Å; E56-P170 WeakPolarHBondContact OE1-CD 3.38Å; E56-P170 WeakPolarHBondContact OE2-CG 3.19Å
171R93.4Very high96Very high77 Ų7757.9 Ų57.929%0.29130%0.296SS..  trans-112.6161.7166.9-64.1-178.95891.412111.4D141 D173 Y174 S175D141-R171 VanDerWaalsContact OD1-CD 3.24Å; D141-R171 WeakPolarHBondContact OD1-CD 3.48Å; D141-R171 IonicContact OD1-CZ 3.77Å; D141-R171 IonicContact OD1-NE 2.9Å; D141-R171 IonicContact OD1-NH1 3.76Å; D141-R171 PolarHBondContact OD1-NH1 3.05Å; D141-R171 IonicContact OD2-CZ 2.73Å; D141-R171 IonicContact OD2-NH1 3.39Å; D141-R171 PolarHBondContact OD2-NH1 2.03Å; R171-D173 WeakPolarHBondContact CB-OD1 3.37Å; R171-D173 IonicContact NE-OD1 2.8Å; R171-D173 IonicContact NE-OD2 3.86Å; R171-D173 PolarHBondContact O-N 2.83Å; R171-Y174 PolarHBondContact O-N 2.79Å; R171-Y174 VanDerWaalsContact O-N 3.12Å; R171-S175 WeakPolarHBondContact CB-O 3.31Å; R171-S175 VanDerWaalsContact CD-OG 3.31Å; R171-S175 WeakPolarHBondContact CD-OG 3.43Å; R171-S175 PolarHBondContact N-O 2.91Å
172T89.8Confident96Very high142 Ų14250 Ų5087%0.87126%0.259SS*.THydrogen-bonded Turntrans-66.3-19.3178.751.60000113.7
173D91.2Very high96.1Very high86 Ų8652.5 Ų52.546%0.4627%0.268SS..THydrogen-bonded Turntrans-93.511.417659.710.8000113.4R171 S175R171-D173 WeakPolarHBondContact CB-OD1 3.37Å; R171-D173 IonicContact NE-OD1 2.8Å; R171-D173 IonicContact NE-OD2 3.86Å; R171-D173 PolarHBondContact O-N 2.83Å; D173-S175 PolarHBondContact O-N 2.91Å; D173-S175 WeakPolarHBondContact OD1-CB 3.47Å; D173-S175 PolarHBondContact OD1-N 3.17Å; D173-S175 VanDerWaalsContact OD1-N 3.11Å; D173-S175 PolarHBondContact OD1-OG 2.79Å
174Y91.6Very high96Very high201 Ų20150.9 Ų50.979%0.78826%0.257SS*.SBendtrans67.45.3-177.2-46.6-70.8000115.7R171R171-Y174 PolarHBondContact O-N 2.79Å; R171-Y174 VanDerWaalsContact O-N 3.12Å
175S96.4Very high96Very high9 Ų952 Ų526%0.06326%0.258CS..  trans-79.7177164.471.90000110.7R171 D173R171-S175 WeakPolarHBondContact CB-O 3.31Å; R171-S175 VanDerWaalsContact CD-OG 3.31Å; R171-S175 WeakPolarHBondContact CD-OG 3.43Å; R171-S175 PolarHBondContact N-O 2.91Å; D173-S175 PolarHBondContact O-N 2.91Å; D173-S175 WeakPolarHBondContact OD1-CB 3.47Å; D173-S175 PolarHBondContact OD1-N 3.17Å; D173-S175 VanDerWaalsContact OD1-N 3.11Å; D173-S175 PolarHBondContact OD1-OG 2.79Å
176F97.4Very high95.9Very high21 Ų2146.7 Ų46.79%0.09223%0.234CC..EExtended strand (participates in β ladder)trans-120.3156.2179.8-66.1-92.9000111.3F43 K142 F143 F144 P146 F168 L169F43-F176 HydrophobicContact CB-CZ 4.32Å; F43-F176 AromaticContact CD1-CE1 3.8Å; F43-F176 HydrophobicContact CD1-CE1 3.8Å; F43-F176 AromaticContact CD1-CZ 3.92Å; F43-F176 HydrophobicContact CD1-CZ 3.92Å; F43-F176 HydrophobicContact CE1-CE1 4.19Å; F43-F176 HydrophobicContact CG-CZ 4.23Å; K142-F176 PolarHBondContact N-O 2.79Å; K142-F176 VanDerWaalsContact N-O 3.08Å; F143-F176 WeakPolarHBondContact CD1-O 3.36Å; F143-F176 HydrophobicContact CD2-CB 4.33Å; F143-F176 HydrophobicContact CE1-CB 4.15Å; F143-F176 WeakPolarHBondContact CE1-O 3.49Å; F143-F176 HydrophobicContact CE2-CB 3.84Å; F143-F176 HydrophobicContact CZ-CB 3.72Å; F143-F176 PolarHBondContact N-O 2.97Å; F143-F176 VanDerWaalsContact N-O 3.11Å; F143-F176 PolarHBondContact O-N 2.9Å; F144-F176 HydrophobicContact CD2-CD2 4.04Å; F144-F176 AromaticContact CD2-CE2 3.83Å; F144-F176 HydrophobicContact CD2-CE2 3.83Å; F144-F176 AromaticContact CE2-CE2 3.92Å; F144-F176 HydrophobicContact CE2-CE2 3.92Å; P146-F176 HydrophobicContact CB-CD1 4.17Å; P146-F176 HydrophobicContact CB-CD2 3.86Å; P146-F176 HydrophobicContact CB-CE1 4.22Å; P146-F176 HydrophobicContact CB-CE2 3.94Å; P146-F176 HydrophobicContact CB-CG 3.98Å; P146-F176 HydrophobicContact CB-CZ 4.11Å; P146-F176 HydrophobicContact CG-CD2 4.12Å; P146-F176 HydrophobicContact CG-CE1 4.41Å; P146-F176 HydrophobicContact CG-CE2 3.72Å; P146-F176 HydrophobicContact CG-CZ 3.86Å; F168-F176 HydrophobicContact CB-CD1 3.77Å; F168-F176 HydrophobicContact CB-CE1 4.29Å; F168-F176 HydrophobicContact CB-CG 4.47Å; L169-F176 CarbonylContact O-C 3.57Å; L169-F176 VanDerWaalsContact O-CA 3.29Å; L169-F176 WeakPolarHBondContact O-CA 3.49Å
177H97.6Very high95.7Very high32 Ų3247.7 Ų47.715%0.14824%0.24CC..EExtended strand (participates in β ladder)trans-128161.5160.872.2120.2000110.9H139 I140 D141 L169 F179H139-H177 AromaticContact NE2-CG 3.91Å; H139-H177 AromaticContact NE2-ND1 3.41Å; H139-H177 PolarHBondContact NE2-ND1 3Å; I140-H177 CarbonylContact O-C 3.54Å; I140-H177 WeakPolarHBondContact O-CA 3.37Å; I140-H177 WeakPolarHBondContact O-CB 3.33Å; D141-H177 HydrophobicContact CB-CB 4.39Å; D141-H177 VanDerWaalsContact OD1-CB 3.28Å; D141-H177 WeakPolarHBondContact OD1-CB 3.4Å; L169-H177 VanDerWaalsContact CB-CD2 3.43Å; L169-H177 WeakPolarHBondContact CB-CD2 3.5Å; L169-H177 VanDerWaalsContact CB-NE2 3.26Å; L169-H177 WeakPolarHBondContact CB-NE2 3.14Å; L169-H177 WeakPolarHBondContact CB-O 3.16Å; L169-H177 VanDerWaalsContact CD1-CE1 3.47Å; L169-H177 WeakPolarHBondContact CD1-CE1 3.41Å; L169-H177 PolarHBondContact N-O 3.11Å; L169-H177 PolarHBondContact O-CD2 3.45Å; L169-H177 PolarHBondContact O-N 2.82Å; H177-F179 AromaticContact CE1-CE2 3.85Å; H177-F179 AromaticContact ND1-CE2 3.69Å
178K97.4Very high95.5Very high9 Ų949.1 Ų49.14%0.03926%0.255CS..EExtended strand (participates in β ladder)trans-153.2146.2-177.8-174.2174.9174.785.10109.8I140 F143 L148 E165 S166 F168I140-K178 PolarHBondContact N-O 2.87Å; I140-K178 PolarHBondContact O-N 3.26Å; F143-K178 HydrophobicContact CE1-CB 4.12Å; F143-K178 HydrophobicContact CZ-CB 4.02Å; L148-K178 HydrophobicContact CD1-CB 4.32Å; L148-K178 HydrophobicContact CD1-CD 3.98Å; E165-K178 WeakPolarHBondContact OE2-CE 3.39Å; E165-K178 IonicContact OE2-NZ 2.69Å; E165-K178 PolarHBondContact OE2-NZ 3.48Å; S166-K178 PolarHBondContact O-NZ 3.12Å; F168-K178 HydrophobicContact CD1-CD 4.25Å; F168-K178 HydrophobicContact CE1-CD 4Å; F168-K178 HydrophobicContact CZ-CD 4.25Å
179F98Very high95.3Very high46 Ų4656.6 Ų56.620%0.20229%0.291CS..EExtended strand (participates in β ladder)trans-108.3135.3173.1-62.3-83.5000110.4I137 C138 H139 E165 S166 L169 H177 Y181I137-F179 HydrophobicContact CG2-CD1 3.73Å; I137-F179 HydrophobicContact CG2-CE1 4.45Å; C138-F179 WeakPolarHBondContact O-CA 3.26Å; H139-F179 HydrophobicContact CB-CD1 3.89Å; H139-F179 HydrophobicContact CB-CE1 3.76Å; H139-F179 AromaticContact CD2-CD1 3.87Å; H139-F179 AromaticContact CD2-CE1 3.39Å; H139-F179 WeakPolarHBondContact CD2-CE1 3.44Å; H139-F179 AromaticContact CD2-CZ 3.65Å; H139-F179 AromaticContact CG-CE1 3.58Å; H139-F179 AromaticContact NE2-CZ 4Å; E165-F179 WeakPolarHBondContact CA-O 3.47Å; S166-F179 PolarHBondContact N-O 2.88Å; S166-F179 PolarHBondContact OG-N 2.91Å; L169-F179 HydrophobicContact CD1-CD2 3.6Å; L169-F179 HydrophobicContact CD1-CE2 3.58Å; H177-F179 AromaticContact CE1-CE2 3.85Å; H177-F179 AromaticContact ND1-CE2 3.69Å; F179-Y181 HydrophobicContact CB-CE1 4.09Å; F179-Y181 HydrophobicContact CB-CE2 3.78Å; F179-Y181 VanDerWaalsContact CB-CZ 3.45Å; F179-Y181 VanDerWaalsContact CB-OH 3.26Å; F179-Y181 WeakPolarHBondContact CB-OH 3.44Å
180H98.4Very high95.3Very high11 Ų1158.3 Ų58.35%0.05130%0.3CS..EExtended strand (participates in β ladder)trans-117.2136.1167.9-109.1-111.5000108.6C138 I140 V150 E165C138-H180 HydrophobicContact CB-CB 4.08Å; C138-H180 PolarHBondContact N-O 3.38Å; C138-H180 PolarHBondContact O-N 2.89Å; I140-H180 HydrophobicContact CD1-CB 4.33Å; V150-H180 HydrophobicContact CG1-CB 3.96Å; V150-H180 WeakPolarHBondContact CG1-ND1 3.34Å; E165-H180 VanDerWaalsContact CB-CD2 3.44Å; E165-H180 WeakPolarHBondContact CB-CD2 2.82Å; E165-H180 VanDerWaalsContact CB-NE2 3.27Å; E165-H180 WeakPolarHBondContact CB-NE2 3.34Å; E165-H180 IonicContact OE2-CD2 3.85Å; E165-H180 IonicContact OE2-CE1 3.8Å; E165-H180 IonicContact OE2-NE2 3.01Å; E165-H180 PolarHBondContact OE2-NE2 2.89Å
181Y98.6Very high95.4Very high71 Ų7161 Ų6128%0.27831%0.306SS..EExtended strand (participates in β ladder)trans-119.4143.9-173.1-54.5-80.1000109.8T135 L136 I137 W152 V163 A164 F179T135-Y181 HydrophobicContact CG2-CD1 4.2Å; L136-Y181 CarbonylContact O-C 3.57Å; L136-Y181 WeakPolarHBondContact O-CA 3.43Å; I137-Y181 HydrophobicContact CD1-CE1 4.37Å; I137-Y181 HydrophobicContact CG1-CD1 3.98Å; I137-Y181 HydrophobicContact CG1-CE1 4.14Å; I137-Y181 HydrophobicContact CG2-CD1 4.35Å; I137-Y181 HydrophobicContact CG2-CE1 4.08Å; W152-Y181 PolarHBondContact NE1-O 3.43Å; V163-Y181 VanDerWaalsContact CA-O 3.27Å; V163-Y181 WeakPolarHBondContact CA-O 3.42Å; A164-Y181 HydrophobicContact CB-CD2 4.27Å; A164-Y181 PolarHBondContact N-O 3.11Å; A164-Y181 VanDerWaalsContact N-O 3.11Å; A164-Y181 PolarHBondContact O-N 3.25Å; F179-Y181 HydrophobicContact CB-CE1 4.09Å; F179-Y181 HydrophobicContact CB-CE2 3.78Å; F179-Y181 VanDerWaalsContact CB-CZ 3.45Å; F179-Y181 VanDerWaalsContact CB-OH 3.26Å; F179-Y181 WeakPolarHBondContact CB-OH 3.44Å
182L98.7Very high95.6Very high3 Ų358 Ų582%0.01630%0.295CS..EExtended strand (participates in β ladder)trans-134.9113.1169.6173.768.4000109.1T135 L136 W152 V159 V163 Y192T135-L182 CarbonylContact C-O 3.09Å; T135-L182 WeakPolarHBondContact CA-O 3.34Å; L136-L182 HydrophobicContact CB-CB 4.41Å; L136-L182 PolarHBondContact N-O 3.21Å; L136-L182 PolarHBondContact O-N 2.8Å; W152-L182 HydrophobicContact CB-CD2 4.08Å; W152-L182 HydrophobicContact CD2-CB 3.76Å; W152-L182 HydrophobicContact CD2-CD2 3.93Å; W152-L182 HydrophobicContact CD2-CG 4.44Å; W152-L182 HydrophobicContact CE3-CB 4.4Å; W152-L182 HydrophobicContact CE3-CD2 3.98Å; W152-L182 HydrophobicContact CG-CB 3.87Å; W152-L182 HydrophobicContact CG-CD2 4Å; W152-L182 HydrophobicContact CG-CG 4.35Å; W152-L182 HydrophobicContact CZ2-CB 4.15Å; V159-L182 HydrophobicContact CG1-CD1 3.9Å; V163-L182 HydrophobicContact CG2-CD1 3.78Å; L182-Y192 HydrophobicContact CD2-CD1 3.67Å; L182-Y192 HydrophobicContact CD2-CE1 3.99Å
183T98.3Very high96Very high84 Ų8452 Ų5252%0.51526%0.258SS..EExtended strand (participates in β ladder)trans-71.9130.116861.40000109.7N134 G162N134-T183 WeakPolarHBondContact O-CA 3.24Å; G162-T183 WeakPolarHBondContact CA-OG1 3.27Å; G162-T183 PolarHBondContact O-N 3.11Å; G162-T183 PolarHBondContact O-OG1 2.88Å
184F96.8Very high96.4Very high16 Ų1648 Ų487%0.0724%0.236CC..EExtended strand (participates in β ladder)trans-148.7167.4-176.879.9-60.1000111.3N134 L136 P186 Y192 W209N134-F184 HydrophobicContact CB-CD1 4.3Å; N134-F184 HydrophobicContact CB-CE1 3.69Å; N134-F184 HydrophobicContact CB-CZ 4.3Å; N134-F184 PolarHBondContact N-O 2.9Å; N134-F184 PolarHBondContact O-N 2.82Å; N134-F184 VanDerWaalsContact O-O 3.11Å; L136-F184 HydrophobicContact CB-CE1 4.37Å; L136-F184 HydrophobicContact CD1-CD1 4.44Å; L136-F184 HydrophobicContact CD1-CE1 4.31Å; L136-F184 HydrophobicContact CD1-CE2 4.32Å; L136-F184 HydrophobicContact CD1-CZ 4.22Å; L136-F184 HydrophobicContact CD2-CE1 4.21Å; L136-F184 HydrophobicContact CD2-CZ 4.11Å; L136-F184 HydrophobicContact CG-CD1 3.96Å; L136-F184 HydrophobicContact CG-CE1 3.56Å; L136-F184 HydrophobicContact CG-CE2 4.35Å; L136-F184 HydrophobicContact CG-CZ 3.76Å; F184-P186 HydrophobicContact CD2-CB 4.43Å; F184-P186 HydrophobicContact CD2-CG 4.25Å; F184-P186 HydrophobicContact CE1-CG 4.35Å; F184-P186 HydrophobicContact CE2-CB 3.7Å; F184-P186 HydrophobicContact CE2-CG 3.57Å; F184-P186 HydrophobicContact CZ-CB 4.17Å; F184-P186 HydrophobicContact CZ-CG 3.63Å; F184-Y192 HydrophobicContact CB-CE1 4.36Å; F184-Y192 HydrophobicContact CD2-CD2 4.48Å; F184-Y192 HydrophobicContact CD2-CE1 4.34Å; F184-Y192 AromaticContact CD2-CE2 3.66Å; F184-Y192 HydrophobicContact CD2-CE2 3.66Å; F184-Y192 AromaticContact CD2-CZ 3.58Å; F184-Y192 WeakPolarHBondContact CD2-OH 3.42Å; F184-Y192 AromaticContact CE2-CE2 3.96Å; F184-Y192 HydrophobicContact CE2-CE2 3.96Å; F184-W209 AromaticContact CE2-CH2 3.63Å; F184-W209 HydrophobicContact CE2-CH2 3.63Å; F184-W209 AromaticContact CE2-CZ3 3.58Å; F184-W209 HydrophobicContact CE2-CZ3 3.58Å; F184-W209 AromaticContact CZ-CH2 3.54Å; F184-W209 HydrophobicContact CZ-CH2 3.54Å; F184-W209 HydrophobicContact CZ-CZ2 4.28Å; F184-W209 AromaticContact CZ-CZ3 3.86Å; F184-W209 HydrophobicContact CZ-CZ3 3.86Å
185V96.6Very high96.7Very high78 Ų7842 Ų4247%0.47321%0.213SC..  trans-112.9112168.7-178.90000106.7P133 S187P133-V185 HydrophobicContact CG-CG2 4.47Å; V185-S187 PolarHBondContact O-N 3.4Å
186P93.9Very high96.9Very high4 Ų441.6 Ų41.63%0.02621%0.21CC..  trans-59.8132.9-175.9-17.627.6000112.1V128 L130 G131 Q132 N134 F184V128-P186 HydrophobicContact CG1-CB 3.72Å; V128-P186 HydrophobicContact CG1-CG 3.94Å; L130-P186 HydrophobicContact CD2-CB 4.28Å; G131-P186 PolarHBondContact N-O 3.29Å; Q132-P186 WeakPolarHBondContact O-CD 3.28Å; N134-P186 HydrophobicContact CB-CG 4.21Å; F184-P186 HydrophobicContact CD2-CB 4.43Å; F184-P186 HydrophobicContact CD2-CG 4.25Å; F184-P186 HydrophobicContact CE1-CG 4.35Å; F184-P186 HydrophobicContact CE2-CB 3.7Å; F184-P186 HydrophobicContact CE2-CG 3.57Å; F184-P186 HydrophobicContact CZ-CB 4.17Å; F184-P186 HydrophobicContact CZ-CG 3.63Å
187S92.9Very high96.9Very high34 Ų3443.9 Ų43.924%0.23822%0.22CC..  trans-124.9147.6173.1177.30000108.8V185 E189 D190V185-S187 PolarHBondContact O-N 3.4Å; S187-E189 PolarHBondContact O-N 3.22Å; S187-E189 PolarHBondContact OG-N 3.25Å; S187-D190 WeakPolarHBondContact CB-OD2 3.27Å
188A91.4Very high97Very high51 Ų5142.9 Ų42.942%0.42122%0.216SC..SBendtrans-74.9-15.1174.500000112.6L130L130-A188 HydrophobicContact CD1-CB 4.19Å; L130-A188 HydrophobicContact CD2-CB 4.5Å
189E92.8Very high97Very high174 Ų17448 Ų4881%0.81324%0.235SC*.SBendtrans-94.5-18.8-178.5-61.2-178.9-178.300112.8S187S187-E189 PolarHBondContact O-N 3.22Å; S187-E189 PolarHBondContact OG-N 3.25Å
190D95.3Very high96.9Very high46 Ų4647 Ų4725%0.24624%0.237CC..  trans-96.7140.7-174.8-64.5-37.4000111.3N155 S187 Y192N155-D190 PolarHBondContact ND2-OD1 3.32Å; N155-D190 WeakPolarHBondContact OD1-CA 3.17Å; S187-D190 WeakPolarHBondContact CB-OD2 3.27Å; D190-Y192 HydrophobicContact CB-CE2 4Å
191Y96.7Very high96.9Very high85 Ų8548.3 Ų48.333%0.33325%0.245SC..EExtended strand (participates in β ladder)trans-121.6155.4166.569.9-91.3000111.2C154 N155 G156 D193 H208C154-Y191 WeakPolarHBondContact CA-O 3.43Å; N155-Y191 VanDerWaalsContact C-OH 3.24Å; N155-Y191 VanDerWaalsContact CA-CZ 3.45Å; N155-Y191 HydrophobicContact CB-CE1 4.18Å; N155-Y191 PolarHBondContact N-O 2.8Å; N155-Y191 VanDerWaalsContact OD1-CD1 3.22Å; N155-Y191 WeakPolarHBondContact OD1-CD1 3.29Å; N155-Y191 PolarHBondContact OD1-N 3.32Å; G156-Y191 PolarHBondContact N-OH 2.66Å; Y191-D193 WeakPolarHBondContact CE2-OD2 3.48Å; Y191-H208 VanDerWaalsContact CB-CE1 3.44Å; Y191-H208 WeakPolarHBondContact CB-CE1 3.5Å; Y191-H208 AromaticContact CD2-CE1 3.44Å; Y191-H208 VanDerWaalsContact CD2-CE1 3.44Å; Y191-H208 WeakPolarHBondContact CD2-CE1 3.49Å; Y191-H208 AromaticContact CD2-ND1 3.79Å; Y191-H208 AromaticContact CG-CE1 3.61Å
192Y98.3Very high96.9Very high14 Ų1453.2 Ų53.26%0.05528%0.276CS..EExtended strand (participates in β ladder)trans-127.3142-176.2-59.9-93000110.4L136 L153 C154 L182 F184 D190 H208 W209L136-Y192 HydrophobicContact CD1-CD1 4.14Å; L136-Y192 HydrophobicContact CD1-CD2 3.86Å; L136-Y192 HydrophobicContact CD1-CG 3.6Å; L153-Y192 CarbonylContact O-C 3.57Å; L153-Y192 WeakPolarHBondContact O-CA 3.26Å; C154-Y192 HydrophobicContact CB-CD1 3.97Å; C154-Y192 HydrophobicContact CB-CE1 3.83Å; L182-Y192 HydrophobicContact CD2-CD1 3.67Å; L182-Y192 HydrophobicContact CD2-CE1 3.99Å; F184-Y192 HydrophobicContact CB-CE1 4.36Å; F184-Y192 HydrophobicContact CD2-CD2 4.48Å; F184-Y192 HydrophobicContact CD2-CE1 4.34Å; F184-Y192 AromaticContact CD2-CE2 3.66Å; F184-Y192 HydrophobicContact CD2-CE2 3.66Å; F184-Y192 AromaticContact CD2-CZ 3.58Å; F184-Y192 WeakPolarHBondContact CD2-OH 3.42Å; F184-Y192 AromaticContact CE2-CE2 3.96Å; F184-Y192 HydrophobicContact CE2-CE2 3.96Å; D190-Y192 HydrophobicContact CB-CE2 4Å; Y192-H208 CarbonylContact O-C 3.58Å; Y192-W209 AromaticContact CD2-CE3 3.7Å; Y192-W209 HydrophobicContact CD2-CE3 3.7Å; Y192-W209 AromaticContact CD2-CZ3 3.78Å; Y192-W209 HydrophobicContact CD2-CZ3 3.78Å; Y192-W209 HydrophobicContact CE2-CE3 4.48Å; Y192-W209 HydrophobicContact CE2-CZ3 4.11Å; Y192-W209 HydrophobicContact CG-CE3 4.46Å; Y192-W209 PolarHBondContact N-O 3.09Å; Y192-W209 PolarHBondContact O-N 2.86Å; Y192-W209 VanDerWaalsContact O-O 3.11Å
193D98.6Very high96.9Very high18 Ų1860.5 Ų60.510%0.09631%0.31CS..EExtended strand (participates in β ladder)trans-125.7130.2171.6-57.8-74.3000110.1L153 Y191 L206 K207 H208L153-D193 HydrophobicContact CB-CB 4.2Å; L153-D193 HydrophobicContact CD1-CB 4.32Å; L153-D193 PolarHBondContact N-O 3.2Å; L153-D193 PolarHBondContact O-N 2.8Å; Y191-D193 WeakPolarHBondContact CE2-OD2 3.48Å; D193-L206 HydrophobicContact CB-CD2 3.96Å; D193-K207 WeakPolarHBondContact CA-O 3.16Å; D193-H208 VanDerWaalsContact OD1-CA 3.24Å; D193-H208 WeakPolarHBondContact OD1-CA 3.28Å; D193-H208 WeakPolarHBondContact OD1-CB 2.97Å; D193-H208 IonicContact OD1-CG 3.77Å; D193-H208 IonicContact OD1-ND1 3.54Å; D193-H208 PolarHBondContact OD1-ND1 2.86Å
194C98.8Very high96.9Very high0 Ų059.9 Ų59.90%031%0.307CS..EExtended strand (participates in β ladder)trans-86.2107162.2-178.30000108.3V122 C138 W152 K207V122-C194 HydrophobicContact CG2-CB 3.59Å; C138-C194 HydrophobicContact CB-CB 3.67Å; C138-C194 WeakPolarHBondContact CB-SG 3.23Å; C138-C194 WeakPolarHBondContact SG-CB 3.21Å; C138-C194 CovalentContact SG-SG 2.03Å; C138-C194 PolarHBondContact SG-SG 3.28Å; W152-C194 HydrophobicContact CE3-CB 4.22Å; W152-C194 HydrophobicContact CH2-CB 4.08Å; W152-C194 HydrophobicContact CZ3-CB 3.91Å; C194-K207 HydrophobicContact CB-CB 4.44Å; C194-K207 PolarHBondContact N-O 3.32Å; C194-K207 PolarHBondContact O-N 3.31Å
195R98.8Very high96.9Very high76 Ų7662 Ų6229%0.28732%0.319SS..EExtended strand (participates in β ladder)trans-88.9119.9174.4-172176.868.3-160.4-1109.5V150 T151 L153 E197 P204 L205 L206V150-R195 CarbonylContact C-O 3.59Å; V150-R195 VanDerWaalsContact CA-O 3.3Å; V150-R195 WeakPolarHBondContact CA-O 3.45Å; T151-R195 PolarHBondContact N-O 3.35Å; T151-R195 WeakPolarHBondContact O-CB 3.21Å; T151-R195 PolarHBondContact O-N 3.48Å; T151-R195 PolarHBondContact OG1-NH2 2.79Å; L153-R195 HydrophobicContact CD1-CB 4.47Å; R195-E197 IonicContact NE-OE1 3.9Å; R195-P204 HydrophobicContact CG-CB 3.95Å; R195-L205 CarbonylContact C-O 3.55Å; R195-L205 WeakPolarHBondContact CA-O 3.32Å; R195-L206 HydrophobicContact CB-CD2 3.56Å; R195-L206 HydrophobicContact CG-CD2 3.72Å; R195-L206 HydrophobicContact CG-CG 4.39Å
196V98.8Very high97Very high0 Ų062.8 Ų62.80%032%0.32CS..EExtended strand (participates in β ladder)trans-119125.2-178.8-178.60000110.1P118 V120 I140 L148 V150 P204 L205P118-V196 HydrophobicContact CG-CG1 4.06Å; V120-V196 HydrophobicContact CG1-CG2 4.16Å; V120-V196 HydrophobicContact CG2-CB 4.18Å; V120-V196 HydrophobicContact CG2-CG1 4.32Å; V120-V196 HydrophobicContact CG2-CG2 3.86Å; I140-V196 HydrophobicContact CG1-CG1 4.36Å; I140-V196 HydrophobicContact CG1-CG2 3.85Å; I140-V196 HydrophobicContact CG2-CG1 4.12Å; L148-V196 HydrophobicContact CD2-CG1 3.86Å; V150-V196 HydrophobicContact CG1-CG2 4.28Å; V150-V196 HydrophobicContact CG2-CG2 4.36Å; V196-P204 WeakPolarHBondContact O-CA 3.34Å; V196-L205 PolarHBondContact N-O 3.4Å; V196-L205 PolarHBondContact O-N 2.86Å
197E98.6Very high97.2Very high69 Ų6966.7 Ų66.732%0.32234%0.337SS..EExtended strand (participates in β ladder)trans-113.1131.8173.6-60.6173.2-131.700109.6N149 R195 P204N149-E197 HydrophobicContact CB-CB 4.13Å; N149-E197 PolarHBondContact N-O 3.3Å; N149-E197 VanDerWaalsContact N-O 3.08Å; N149-E197 PolarHBondContact ND2-OE1 3.31Å; N149-E197 PolarHBondContact O-N 2.74Å; R195-E197 IonicContact NE-OE1 3.9Å; E197-P204 HydrophobicContact CG-CB 3.83Å; E197-P204 HydrophobicContact CG-CG 3.92Å
198H98.5Very high97.5Very high12 Ų1269.4 Ų69.46%0.05635%0.345CS..  trans-152.6151.5-178.8-176.8-87.9000109.2D116 P118 F143 F144 P145 V147 L148 G200 L201D116-H198 PolarHBondContact O-CE1 3Å; P118-H198 HydrophobicContact CG-CB 4.05Å; F143-H198 AromaticContact CD2-CD2 3.9Å; F143-H198 AromaticContact CD2-NE2 3.9Å; F144-H198 PolarHBondContact O-CE1 3.42Å; F144-H198 PolarHBondContact O-NE2 2.88Å; P145-H198 PolarHBondContact O-NE2 3.35Å; V147-H198 PolarHBondContact O-CD2 3.07Å; L148-H198 HydrophobicContact CD2-CB 3.79Å; H198-G200 PolarHBondContact ND1-N 3.36Å; H198-G200 PolarHBondContact O-N 2.85Å; H198-L201 HydrophobicContact CB-CD1 4.08Å; H198-L201 HydrophobicContact CB-CG 4.26Å; H198-L201 WeakPolarHBondContact O-CB 3.47Å; H198-L201 PolarHBondContact O-N 3.22Å
199W97.5Very high97.8Very high116 Ų11668.3 Ų68.344%0.43933%0.33SS..THydrogen-bonded Turntrans-69.8-13.8-176.7-56.5-24000115.2H47 N115 P145 V147 L201H47-W199 HydrophobicContact CB-CH2 3.55Å; H47-W199 HydrophobicContact CB-CZ2 4.18Å; H47-W199 AromaticContact CD2-CH2 3.42Å; H47-W199 VanDerWaalsContact CD2-CH2 3.42Å; H47-W199 WeakPolarHBondContact CD2-CH2 3.33Å; H47-W199 AromaticContact CD2-CZ3 3.84Å; H47-W199 AromaticContact CG-CH2 3.36Å; H47-W199 AromaticContact ND1-CH2 3.96Å; N115-W199 HydrophobicContact CB-CB 4.49Å; N115-W199 WeakPolarHBondContact ND2-CB 3.44Å; N115-W199 PolarHBondContact ND2-O 2.92Å; P145-W199 HydrophobicContact CB-CZ3 4.5Å; P145-W199 HydrophobicContact CG-CD2 4.47Å; P145-W199 HydrophobicContact CG-CE3 3.41Å; P145-W199 VanDerWaalsContact CG-CE3 3.41Å; P145-W199 HydrophobicContact CG-CH2 4.42Å; P145-W199 HydrophobicContact CG-CZ3 3.38Å; V147-W199 HydrophobicContact CB-CH2 4.18Å; V147-W199 HydrophobicContact CB-CZ2 4.07Å; V147-W199 HydrophobicContact CG1-CH2 4.24Å; V147-W199 HydrophobicContact CG1-CZ2 3.67Å; V147-W199 HydrophobicContact CG2-CH2 3.66Å; V147-W199 HydrophobicContact CG2-CZ2 3.96Å; V147-W199 HydrophobicContact CG2-CZ3 4.17Å; W199-L201 VanDerWaalsContact C-N 3.29Å
200G97.4Very high97.9Very high24 Ų2465.4 Ų65.425%0.24732%0.317CS..THydrogen-bonded Turntrans-81.6-8.5171.200000113.1H198H198-G200 PolarHBondContact ND1-N 3.36Å; H198-G200 PolarHBondContact O-N 2.85Å
201L98.4Very high97.6Very high40 Ų4063.8 Ų63.821%0.20931%0.31CS..  trans-102.7131.7179.4-61.2171.9000111P117 P118 H198 W199 Q203 L205P117-L201 HydrophobicContact CB-CD2 3.79Å; P117-L201 HydrophobicContact CB-CG 4.38Å; P118-L201 HydrophobicContact CG-CD1 3.87Å; P118-L201 HydrophobicContact CG-CG 4.29Å; H198-L201 HydrophobicContact CB-CD1 4.08Å; H198-L201 HydrophobicContact CB-CG 4.26Å; H198-L201 WeakPolarHBondContact O-CB 3.47Å; H198-L201 PolarHBondContact O-N 3.22Å; W199-L201 VanDerWaalsContact C-N 3.29Å; L201-Q203 VanDerWaalsContact C-N 3.26Å; L201-Q203 WeakPolarHBondContact CB-O 3.18Å; L201-Q203 PolarHBondContact O-N 2.97Å; L201-L205 HydrophobicContact CD1-CB 3.86Å
202D97.7Very high96.6Very high174 Ų17468 Ų6893%0.9333%0.332SS*.SBendtrans-68.3-28.5173-68.1-38.9000112.4
203Q97.9Very high94.9Very high156 Ų15674.3 Ų74.373%0.72936%0.362SS*.SBendtrans-143.9154.8179.6-64.3-175.25.400110.1L201 L205L201-Q203 VanDerWaalsContact C-N 3.26Å; L201-Q203 WeakPolarHBondContact CB-O 3.18Å; L201-Q203 PolarHBondContact O-N 2.97Å; Q203-L205 PolarHBondContact O-N 3.45Å
204P98.2Very high92.9Very high70 Ų7078.6 Ų78.646%0.45539%0.391SS..PPolyproline II helixtrans-54.6130.9175.2-2231.6000111.4R195 V196 E197R195-P204 HydrophobicContact CG-CB 3.95Å; V196-P204 WeakPolarHBondContact O-CA 3.34Å; E197-P204 HydrophobicContact CG-CB 3.83Å; E197-P204 HydrophobicContact CG-CG 3.92Å
205L98.4Very high90.4Very high62 Ų6285.3 Ų85.333%0.32543%0.426SS..EExtended strand (participates in β ladder)trans-83.9122.9175.5-176.469.8000109V120 R195 V196 L201 Q203V120-L205 HydrophobicContact CB-CD2 3.7Å; V120-L205 HydrophobicContact CG2-CD2 3.51Å; R195-L205 CarbonylContact C-O 3.55Å; R195-L205 WeakPolarHBondContact CA-O 3.32Å; V196-L205 PolarHBondContact N-O 3.4Å; V196-L205 PolarHBondContact O-N 2.86Å; L201-L205 HydrophobicContact CD1-CB 3.86Å; Q203-L205 PolarHBondContact O-N 3.45Å
206L98.2Very high88Confident94 Ų9490.1 Ų90.149%0.49245%0.452SS..EExtended strand (participates in β ladder)trans-102.9116.9174.1-73.7163.3000109.2L153 D193 R195L153-L206 HydrophobicContact CD1-CD2 3.85Å; D193-L206 HydrophobicContact CB-CD2 3.96Å; R195-L206 HydrophobicContact CB-CD2 3.56Å; R195-L206 HydrophobicContact CG-CD2 3.72Å; R195-L206 HydrophobicContact CG-CG 4.39Å
207K98.4Very high85.4Confident86 Ų8695.9 Ų95.937%0.37448%0.48SS..EExtended strand (participates in β ladder)trans-104105173-167.167.1175.4-171.20110.3V120 V122 D193 C194V120-K207 HydrophobicContact CB-CB 4.4Å; V120-K207 HydrophobicContact CG1-CB 3.67Å; V120-K207 HydrophobicContact CG1-CG 4.09Å; V120-K207 WeakPolarHBondContact O-CD 3.49Å; V120-K207 WeakPolarHBondContact O-CE 3.42Å; V122-K207 HydrophobicContact CB-CG 4.05Å; V122-K207 HydrophobicContact CG2-CB 3.79Å; V122-K207 HydrophobicContact CG2-CG 3.58Å; D193-K207 WeakPolarHBondContact CA-O 3.16Å; C194-K207 HydrophobicContact CB-CB 4.44Å; C194-K207 PolarHBondContact N-O 3.32Å; C194-K207 PolarHBondContact O-N 3.31Å
208H98.1Very high83.2Confident90 Ų9095.9 Ų95.942%0.41749%0.486SS..EExtended strand (participates in β ladder)trans-75.8144.8-178.2-171.876.6000113Y191 Y192 D193 E210Y191-H208 VanDerWaalsContact CB-CE1 3.44Å; Y191-H208 WeakPolarHBondContact CB-CE1 3.5Å; Y191-H208 AromaticContact CD2-CE1 3.44Å; Y191-H208 VanDerWaalsContact CD2-CE1 3.44Å; Y191-H208 WeakPolarHBondContact CD2-CE1 3.49Å; Y191-H208 AromaticContact CD2-ND1 3.79Å; Y191-H208 AromaticContact CG-CE1 3.61Å; Y192-H208 CarbonylContact O-C 3.58Å; D193-H208 VanDerWaalsContact OD1-CA 3.24Å; D193-H208 WeakPolarHBondContact OD1-CA 3.28Å; D193-H208 WeakPolarHBondContact OD1-CB 2.97Å; D193-H208 IonicContact OD1-CG 3.77Å; D193-H208 IonicContact OD1-ND1 3.54Å; D193-H208 PolarHBondContact OD1-ND1 2.86Å; H208-E210 IonicContact NE2-OE2 3.93Å
209W97.5Very high81.4Confident28 Ų28103.4 Ų103.411%0.10652%0.521CS..EExtended strand (participates in β ladder)trans-146.2137.1171.4-17695.2000110.4V122 P124 V128 L136 F184 Y192 A211V122-W209 HydrophobicContact CB-CB 4.32Å; V122-W209 HydrophobicContact CG1-CB 3.58Å; V122-W209 HydrophobicContact CG1-CG 3.9Å; P124-W209 HydrophobicContact CB-CZ2 4.36Å; P124-W209 HydrophobicContact CG-CZ2 4.42Å; V128-W209 HydrophobicContact CG1-CH2 4.42Å; V128-W209 HydrophobicContact CG2-CH2 4.23Å; V128-W209 HydrophobicContact CG2-CZ2 3.72Å; L136-W209 HydrophobicContact CD1-CD2 4.15Å; L136-W209 HydrophobicContact CD1-CE3 3.72Å; L136-W209 HydrophobicContact CD1-CZ3 4.11Å; L136-W209 HydrophobicContact CD2-CD2 3.43Å; L136-W209 VanDerWaalsContact CD2-CD2 3.43Å; L136-W209 VanDerWaalsContact CD2-CE2 3.48Å; L136-W209 HydrophobicContact CD2-CE3 3.77Å; L136-W209 HydrophobicContact CD2-CG 3.84Å; L136-W209 HydrophobicContact CD2-CH2 4.17Å; L136-W209 HydrophobicContact CD2-CZ2 3.85Å; L136-W209 HydrophobicContact CD2-CZ3 4.14Å; L136-W209 HydrophobicContact CG-CD2 4.42Å; L136-W209 HydrophobicContact CG-CE3 4.32Å; F184-W209 AromaticContact CE2-CH2 3.63Å; F184-W209 HydrophobicContact CE2-CH2 3.63Å; F184-W209 AromaticContact CE2-CZ3 3.58Å; F184-W209 HydrophobicContact CE2-CZ3 3.58Å; F184-W209 AromaticContact CZ-CH2 3.54Å; F184-W209 HydrophobicContact CZ-CH2 3.54Å; F184-W209 HydrophobicContact CZ-CZ2 4.28Å; F184-W209 AromaticContact CZ-CZ3 3.86Å; F184-W209 HydrophobicContact CZ-CZ3 3.86Å; Y192-W209 AromaticContact CD2-CE3 3.7Å; Y192-W209 HydrophobicContact CD2-CE3 3.7Å; Y192-W209 AromaticContact CD2-CZ3 3.78Å; Y192-W209 HydrophobicContact CD2-CZ3 3.78Å; Y192-W209 HydrophobicContact CE2-CE3 4.48Å; Y192-W209 HydrophobicContact CE2-CZ3 4.11Å; Y192-W209 HydrophobicContact CG-CE3 4.46Å; Y192-W209 PolarHBondContact N-O 3.09Å; Y192-W209 PolarHBondContact O-N 2.86Å; Y192-W209 VanDerWaalsContact O-O 3.11Å; W209-A211 HydrophobicContact CH2-CB 4.05Å; W209-A211 HydrophobicContact CZ3-CB 4.45Å
210E94.8Very high79.6Confident113 Ų113102 Ų10253%0.52853%0.526SS..EExtended strand (participates in β ladder)trans-139.7151.2172.560-175.8-17900108.4H208 Q212H208-E210 IonicContact NE2-OE2 3.93Å; E210-Q212 PolarHBondContact O-N 3.35Å
211A90.1Very high78Confident12 Ų12103.7 Ų103.710%0.09953%0.531CS..  trans-67.1108.6172.600000108.1V128 L130 W209 E213V128-A211 HydrophobicContact CG1-CB 4.09Å; L130-A211 HydrophobicContact CD2-CB 4.23Å; W209-A211 HydrophobicContact CH2-CB 4.05Å; W209-A211 HydrophobicContact CZ3-CB 4.45Å; A211-E213 PolarHBondContact O-N 2.74Å; A211-E213 VanDerWaalsContact O-N 3.11Å
212Q75.2Confident76.7Confident174 Ų174108.9 Ų108.981%0.81355%0.554SS**PPolyproline II helixtrans-62.4118.7173.1-68.3-177.4-1.600108.1E210E210-Q212 PolarHBondContact O-N 3.35Å
213E62.8Low75.6Confident146 Ų146104.9 Ų104.968%0.68254%0.536SS*.PPolyproline II helixtrans-55.2130.5167-72.8-164.6160.700107.5A211 I215A211-E213 PolarHBondContact O-N 2.74Å; A211-E213 VanDerWaalsContact O-N 3.11Å; E213-I215 PolarHBondContact O-N 3.14Å
214P57.2Low74.6Confident109 Ų109101.3 Ų101.371%0.70853%0.525SS*.PPolyproline II helixtrans-54.6117.5173.921.2-30000106.3Q216P214-Q216 VanDerWaalsContact C-N 3.3Å; P214-Q216 PolarHBondContact O-N 3.15Å
215I46.2Very low73.8Confident140 Ų140104 Ų10472%0.71853%0.534SS*.  trans-55.8105.7177.3-51.4175.3000105E213 M217E213-I215 PolarHBondContact O-N 3.14Å; I215-M217 HydrophobicContact CB-CE 4.28Å; I215-M217 HydrophobicContact CG2-CE 3.3Å; I215-M217 PolarHBondContact O-N 2.83Å
216Q47.2Very low73.1Confident178 Ų178105 Ų10583%0.83255%0.546SS*.  trans-6788.9169.2-70.5-164.7-25.800104.6P214 P218P214-Q216 VanDerWaalsContact C-N 3.3Å; P214-Q216 PolarHBondContact O-N 3.15Å; Q216-P218 VanDerWaalsContact O-CD 3.25Å; Q216-P218 WeakPolarHBondContact O-CD 3.47Å
217M45.3Very low72.6Confident121 Ų121103 Ų10360%0.59654%0.543SS*.  trans-52.4115.5159.3-74.2-70.8101.500104.2I215 E219I215-M217 HydrophobicContact CB-CE 4.28Å; I215-M217 HydrophobicContact CG2-CE 3.3Å; I215-M217 PolarHBondContact O-N 2.83Å; M217-E219 PolarHBondContact O-N 2.82Å
218P53.1Low72.1Confident69 Ų69103.6 Ų103.645%0.44855%0.55SS..  trans-57.5132.3179.324.6-32.1000106.2Q216 T220 T221Q216-P218 VanDerWaalsContact O-CD 3.25Å; Q216-P218 WeakPolarHBondContact O-CD 3.47Å; P218-T220 WeakPolarHBondContact CB-OG1 3.32Å; P218-T220 PolarHBondContact O-N 2.94Å; P218-T221 HydrophobicContact CG-CG2 4.15Å; P218-T221 PolarHBondContact O-N 3.06Å; P218-T221 PolarHBondContact O-OG1 3Å
219E59.8Low71.7Confident169 Ų169101.3 Ų101.379%0.7955%0.551SS**Hα-helixtrans-46.9-23178.2-80.5-177.4137.400112.4M217 T221 T223M217-E219 PolarHBondContact O-N 2.82Å; E219-T221 PolarHBondContact O-N 3.32Å; E219-T223 PolarHBondContact O-N 3.03Å; E219-T223 VanDerWaalsContact O-N 3.12Å; E219-T223 PolarHBondContact O-OG1 2.87Å
220T60Low71.5Confident88 Ų88105.3 Ų105.354%0.5457%0.573SS.*Hα-helixtrans-59.9-35.6174.264.10000114P218 T223 V224P218-T220 WeakPolarHBondContact CB-OG1 3.32Å; P218-T220 PolarHBondContact O-N 2.94Å; T220-T223 VanDerWaalsContact CA-OG1 3.23Å; T220-T223 WeakPolarHBondContact CA-OG1 3.48Å; T220-T223 PolarHBondContact O-OG1 2.86Å; T220-T223 VanDerWaalsContact O-OG1 3.1Å; T220-V224 WeakPolarHBondContact O-CB 3.39Å; T220-V224 WeakPolarHBondContact O-CG2 3.44Å; T220-V224 PolarHBondContact O-N 3.15Å
221T64.3Low71.4Confident59 Ų59104 Ų10436%0.36257%0.573SS.*Hα-helixtrans-73.5-39.2-179.242.40000112.6P218 E219 L225P218-T221 HydrophobicContact CG-CG2 4.15Å; P218-T221 PolarHBondContact O-N 3.06Å; P218-T221 PolarHBondContact O-OG1 3Å; E219-T221 PolarHBondContact O-N 3.32Å; T221-L225 WeakPolarHBondContact O-CB 3.43Å; T221-L225 VanDerWaalsContact O-CG 3.28Å; T221-L225 WeakPolarHBondContact O-CG 3.46Å; T221-L225 PolarHBondContact O-N 3.39Å
222E70.3Confident71.5Confident148 Ų148109.3 Ų109.369%0.69260%0.599SS**Hα-helixtrans-67.5-44.4174.2-89.3-167147.100111.7V224 L225 C226E222-V224 VanDerWaalsContact C-N 3.34Å; E222-V224 PolarHBondContact O-N 3.34Å; E222-L225 PolarHBondContact O-N 2.77Å; E222-C226 VanDerWaalsContact O-CB 3.3Å; E222-C226 WeakPolarHBondContact O-CB 3.24Å; E222-C226 PolarHBondContact O-N 2.96Å
223T73.8Confident72.3Confident90 Ų90102.9 Ų102.955%0.55258%0.579SS**Hα-helixtrans-64.2-38.1177.342.80000112.2E219 T220 A227E219-T223 PolarHBondContact O-N 3.03Å; E219-T223 VanDerWaalsContact O-N 3.12Å; E219-T223 PolarHBondContact O-OG1 2.87Å; T220-T223 VanDerWaalsContact CA-OG1 3.23Å; T220-T223 WeakPolarHBondContact CA-OG1 3.48Å; T220-T223 PolarHBondContact O-OG1 2.86Å; T220-T223 VanDerWaalsContact O-OG1 3.1Å; T223-A227 WeakPolarHBondContact O-CB 3.11Å; T223-A227 PolarHBondContact O-N 3.13Å
224V77.8Confident73.8Confident81 Ų81100.8 Ų100.849%0.49157%0.572SS.*Hα-helixtrans-66.6-43.7175.2168.10000111.6T220 E222 A227 L228T220-V224 WeakPolarHBondContact O-CB 3.39Å; T220-V224 WeakPolarHBondContact O-CG2 3.44Å; T220-V224 PolarHBondContact O-N 3.15Å; E222-V224 VanDerWaalsContact C-N 3.34Å; E222-V224 PolarHBondContact O-N 3.34Å; V224-A227 PolarHBondContact O-N 3.47Å; V224-L228 HydrophobicContact CG1-CD1 3.77Å; V224-L228 WeakPolarHBondContact O-CB 3.23Å; V224-L228 WeakPolarHBondContact O-CG 3.23Å; V224-L228 PolarHBondContact O-N 2.97Å
225L81.8Confident75.5Confident126 Ų12699.3 Ų99.366%0.6656%0.561SS**Hα-helixtrans-63.6-42.6176.9-76.2167.9000111.8T221 E222 L228 G229T221-L225 WeakPolarHBondContact O-CB 3.43Å; T221-L225 VanDerWaalsContact O-CG 3.28Å; T221-L225 WeakPolarHBondContact O-CG 3.46Å; T221-L225 PolarHBondContact O-N 3.39Å; E222-L225 PolarHBondContact O-N 2.77Å; L225-L228 PolarHBondContact O-N 2.95Å; L225-G229 PolarHBondContact O-N 3.11Å
226C83.6Confident77.6Confident84 Ų8494.7 Ų94.757%0.56855%0.548SS*.Hα-helixtrans-67.2-41.7177.9-160.70000111.7E222 G229 L230E222-C226 VanDerWaalsContact O-CB 3.3Å; E222-C226 WeakPolarHBondContact O-CB 3.24Å; E222-C226 PolarHBondContact O-N 2.96Å; C226-G229 PolarHBondContact O-N 3.26Å; C226-L230 PolarHBondContact O-N 3.45Å
227A86.3Confident79.8Confident51 Ų5191.5 Ų91.542%0.42154%0.536SS..Hα-helixtrans-64.4-43.8175.500000112.3T223 V224 G229 L230 V231T223-A227 WeakPolarHBondContact O-CB 3.11Å; T223-A227 PolarHBondContact O-N 3.13Å; V224-A227 PolarHBondContact O-N 3.47Å; A227-G229 VanDerWaalsContact C-N 3.34Å; A227-L230 PolarHBondContact O-N 3.41Å; A227-V231 WeakPolarHBondContact O-CG2 3.46Å; A227-V231 PolarHBondContact O-N 3.35Å
228L88.7Confident82Confident99 Ų9990.9 Ų90.952%0.51853%0.533SS..Hα-helixtrans-61.1-43.2174-80.8162.7000111.5V224 L225 L230 V231 L232V224-L228 HydrophobicContact CG1-CD1 3.77Å; V224-L228 WeakPolarHBondContact O-CB 3.23Å; V224-L228 WeakPolarHBondContact O-CG 3.23Å; V224-L228 PolarHBondContact O-N 2.97Å; L225-L228 PolarHBondContact O-N 2.95Å; L228-L230 PolarHBondContact O-N 2.88Å; L228-V231 PolarHBondContact O-N 3.14Å; L228-L232 WeakPolarHBondContact O-CB 3.22Å; L228-L232 WeakPolarHBondContact O-CG 3.44Å; L228-L232 PolarHBondContact O-N 2.94Å
229G89.8Confident83.9Confident43 Ų4391.2 Ų91.244%0.44353%0.534SS..Hα-helixtrans-59.6-44.217500000112.7L225 C226 A227 L232 G233L225-G229 PolarHBondContact O-N 3.11Å; C226-G229 PolarHBondContact O-N 3.26Å; A227-G229 VanDerWaalsContact C-N 3.34Å; G229-L232 PolarHBondContact O-N 3.49Å; G229-G233 PolarHBondContact O-N 3.02Å
230L92.9Very high85.3Confident111 Ų11184.5 Ų84.558%0.58151%0.51SS*.Hα-helixtrans-62.1-46175.8-93.8162.4000112.5C226 A227 L228 G233 L234C226-L230 PolarHBondContact O-N 3.45Å; A227-L230 PolarHBondContact O-N 3.41Å; L228-L230 PolarHBondContact O-N 2.88Å; L230-G233 PolarHBondContact O-N 3.37Å; L230-L234 WeakPolarHBondContact O-CG 3.19Å; L230-L234 PolarHBondContact O-N 2.83Å
231V93.1Very high86.7Confident86 Ų8683.6 Ų83.652%0.52150%0.504SS..Hα-helixtrans-62.2-47.2179.1172.40000110.7A227 L228 G233 L234 V235A227-V231 WeakPolarHBondContact O-CG2 3.46Å; A227-V231 PolarHBondContact O-N 3.35Å; L228-V231 PolarHBondContact O-N 3.14Å; V231-G233 VanDerWaalsContact C-N 3.32Å; V231-G233 PolarHBondContact O-N 3.28Å; V231-L234 PolarHBondContact O-N 2.87Å; V231-V235 WeakPolarHBondContact O-CG2 3.14Å; V231-V235 PolarHBondContact O-N 2.93Å
232L92.8Very high87.8Confident124 Ų12484.1 Ų84.165%0.64951%0.507SS*.Hα-helixtrans-62.8-39.8177.7-70.2173.6000111.9L228 G229 V235 G236L228-L232 WeakPolarHBondContact O-CB 3.22Å; L228-L232 WeakPolarHBondContact O-CG 3.44Å; L228-L232 PolarHBondContact O-N 2.94Å; G229-L232 PolarHBondContact O-N 3.49Å; L232-V235 PolarHBondContact O-N 3.11Å; L232-G236 PolarHBondContact O-N 3.11Å
233G91.3Very high88.6Confident38 Ų3882.2 Ų82.239%0.39250%0.501SS..Hα-helixtrans-60.9-46.6175.100000112.7G229 L230 V231 G236 I237G229-G233 PolarHBondContact O-N 3.02Å; L230-G233 PolarHBondContact O-N 3.37Å; V231-G233 VanDerWaalsContact C-N 3.32Å; V231-G233 PolarHBondContact O-N 3.28Å; G233-G236 PolarHBondContact O-N 3.23Å; G233-I237 WeakPolarHBondContact O-CG1 3.38Å; G233-I237 PolarHBondContact O-N 2.93Å
234L93.8Very high89.3Confident102 Ų10282.6 Ų82.653%0.53450%0.499SS..Hα-helixtrans-62.9-43177.3-71.9171.1000112.1L230 V231 G236 I237 I238L230-L234 WeakPolarHBondContact O-CG 3.19Å; L230-L234 PolarHBondContact O-N 2.83Å; V231-L234 PolarHBondContact O-N 2.87Å; L234-G236 VanDerWaalsContact C-N 3.32Å; L234-G236 PolarHBondContact O-N 2.87Å; L234-I237 PolarHBondContact O-N 2.88Å; L234-I238 WeakPolarHBondContact O-CG1 3.45Å; L234-I238 PolarHBondContact O-N 3.37Å
235V92.7Very high89.6Confident79 Ų7982.5 Ų82.548%0.47950%0.495SS..Hα-helixtrans-61.3-42.8175.4172.90000110.7V231 L232 I237 I238 V239V231-V235 WeakPolarHBondContact O-CG2 3.14Å; V231-V235 PolarHBondContact O-N 2.93Å; L232-V235 PolarHBondContact O-N 3.11Å; V235-I237 PolarHBondContact O-N 3.36Å; V235-I238 PolarHBondContact O-N 3.42Å; V235-V239 HydrophobicContact CG1-CG2 4.31Å; V235-V239 WeakPolarHBondContact O-CG2 3.44Å; V235-V239 PolarHBondContact O-N 3.33Å
236G91.4Very high89.4Confident43 Ų4383.3 Ų83.344%0.44349%0.493SS..Hα-helixtrans-58.5-43.4175.400000113L232 G233 L234 G240L232-G236 PolarHBondContact O-N 3.11Å; G233-G236 PolarHBondContact O-N 3.23Å; L234-G236 VanDerWaalsContact C-N 3.32Å; L234-G236 PolarHBondContact O-N 2.87Å; G236-G240 PolarHBondContact O-N 3.17Å
237I93.6Very high88.8Confident111 Ų11182.8 Ų82.857%0.56949%0.49SS*.Hα-helixtrans-64-45177.1-67.1166.3000111.2G233 L234 V235 G240 T241G233-I237 WeakPolarHBondContact O-CG1 3.38Å; G233-I237 PolarHBondContact O-N 2.93Å; L234-I237 PolarHBondContact O-N 2.88Å; V235-I237 PolarHBondContact O-N 3.36Å; I237-G240 PolarHBondContact O-N 3.48Å; I237-T241 HydrophobicContact CG2-CG2 4.44Å; I237-T241 WeakPolarHBondContact O-CB 3.28Å; I237-T241 WeakPolarHBondContact O-CG2 3.45Å; I237-T241 PolarHBondContact O-N 3.22Å; I237-T241 PolarHBondContact O-OG1 3.22Å
238I92.2Very high88.2Confident107 Ų10785.9 Ų85.955%0.54950%0.499SS..Hα-helixtrans-63.3-47.6179.3-66.2165.9000110.5L234 V235 G240 T241 V242L234-I238 WeakPolarHBondContact O-CG1 3.45Å; L234-I238 PolarHBondContact O-N 3.37Å; V235-I238 PolarHBondContact O-N 3.42Å; I238-G240 PolarHBondContact O-N 3.18Å; I238-T241 WeakPolarHBondContact CA-OG1 3.35Å; I238-T241 PolarHBondContact O-N 3.26Å; I238-T241 PolarHBondContact O-OG1 3.13Å; I238-V242 VanDerWaalsContact O-CG2 3.28Å; I238-V242 WeakPolarHBondContact O-CG2 3.26Å; I238-V242 PolarHBondContact O-N 3.14Å
239V91.1Very high87.1Confident77 Ų7790.4 Ų90.447%0.46751%0.51SS..Hα-helixtrans-63.8-44.3178.5174.30000110.7V235 V242 L243V235-V239 HydrophobicContact CG1-CG2 4.31Å; V235-V239 WeakPolarHBondContact O-CG2 3.44Å; V235-V239 PolarHBondContact O-N 3.33Å; V239-V242 PolarHBondContact O-N 3.07Å; V239-L243 HydrophobicContact CG1-CD1 3.97Å; V239-L243 HydrophobicContact CG1-CG 4.39Å; V239-L243 VanDerWaalsContact O-CG 3.31Å; V239-L243 WeakPolarHBondContact O-CG 3.36Å; V239-L243 PolarHBondContact O-N 3.1Å
240G89.5Confident85.7Confident27 Ų2793.2 Ų93.228%0.27852%0.522SS..Hα-helixtrans-59.6-47.3177.800000112.7G236 I237 I238 V242 L243 I244G236-G240 PolarHBondContact O-N 3.17Å; I237-G240 PolarHBondContact O-N 3.48Å; I238-G240 PolarHBondContact O-N 3.18Å; G240-V242 PolarHBondContact O-N 2.81Å; G240-L243 PolarHBondContact O-N 3.33Å; G240-I244 VanDerWaalsContact O-CG1 3.29Å; G240-I244 WeakPolarHBondContact O-CG1 3.3Å; G240-I244 PolarHBondContact O-N 3.11Å
241T89.6Confident83.9Confident69 Ų6991.1 Ų91.142%0.42353%0.528SS..Hα-helixtrans-63.3-40.917747.50000112.3I237 I238 L243 I244 I245I237-T241 HydrophobicContact CG2-CG2 4.44Å; I237-T241 WeakPolarHBondContact O-CB 3.28Å; I237-T241 WeakPolarHBondContact O-CG2 3.45Å; I237-T241 PolarHBondContact O-N 3.22Å; I237-T241 PolarHBondContact O-OG1 3.22Å; I238-T241 WeakPolarHBondContact CA-OG1 3.35Å; I238-T241 PolarHBondContact O-N 3.26Å; I238-T241 PolarHBondContact O-OG1 3.13Å; T241-L243 PolarHBondContact O-N 3.2Å; T241-I244 PolarHBondContact O-N 3.36Å; T241-I245 WeakPolarHBondContact O-CB 3.49Å; T241-I245 VanDerWaalsContact O-CG1 3.25Å; T241-I245 WeakPolarHBondContact O-CG1 3.44Å; T241-I245 PolarHBondContact O-N 3.03Å
242V88.8Confident81.8Confident70 Ų7097.4 Ų97.442%0.42454%0.542SS..Hα-helixtrans-62.6-42174.8170.20000111.7I238 V239 G240 I245 K246I238-V242 VanDerWaalsContact O-CG2 3.28Å; I238-V242 WeakPolarHBondContact O-CG2 3.26Å; I238-V242 PolarHBondContact O-N 3.14Å; V239-V242 PolarHBondContact O-N 3.07Å; G240-V242 PolarHBondContact O-N 2.81Å; V242-I245 PolarHBondContact O-N 3.45Å; V242-K246 HydrophobicContact CG1-CD 4.49Å; V242-K246 WeakPolarHBondContact O-CB 3.49Å; V242-K246 PolarHBondContact O-N 2.94Å
243L86.7Confident79.8Confident108 Ų10897.3 Ų97.357%0.56554%0.542SS*.Hα-helixtrans-65-41.7177-71.7173.4000111.9V239 G240 T241 K246 S247V239-L243 HydrophobicContact CG1-CD1 3.97Å; V239-L243 HydrophobicContact CG1-CG 4.39Å; V239-L243 VanDerWaalsContact O-CG 3.31Å; V239-L243 WeakPolarHBondContact O-CG 3.36Å; V239-L243 PolarHBondContact O-N 3.1Å; G240-L243 PolarHBondContact O-N 3.33Å; T241-L243 PolarHBondContact O-N 3.2Å; L243-K246 PolarHBondContact O-N 3.42Å; L243-S247 PolarHBondContact O-N 2.97Å
244I87Confident77.7Confident98 Ų98101.3 Ų101.350%0.50356%0.561SS.*Hα-helixtrans-64.4-44.2175.2-68.1166.3000111G240 T241 K246 S247 L248G240-I244 VanDerWaalsContact O-CG1 3.29Å; G240-I244 WeakPolarHBondContact O-CG1 3.3Å; G240-I244 PolarHBondContact O-N 3.11Å; T241-I244 PolarHBondContact O-N 3.36Å; I244-K246 VanDerWaalsContact C-N 3.33Å; I244-K246 PolarHBondContact O-N 2.95Å; I244-S247 PolarHBondContact O-N 3.06Å; I244-S247 PolarHBondContact O-OG 3.21Å; I244-L248 HydrophobicContact CG2-CD1 3.74Å; I244-L248 HydrophobicContact CG2-CG 4.31Å; I244-L248 WeakPolarHBondContact O-CB 3.39Å; I244-L248 VanDerWaalsContact O-CG 3.27Å; I244-L248 WeakPolarHBondContact O-CG 3.38Å; I244-L248 PolarHBondContact O-N 3.48Å
245I84.2Confident75.7Confident79 Ų79107.3 Ų107.341%0.40558%0.577SS.*Hα-helixtrans-63.9-40.6177.3-68.8165.9000110.6T241 V242 R249T241-I245 WeakPolarHBondContact O-CB 3.49Å; T241-I245 VanDerWaalsContact O-CG1 3.25Å; T241-I245 WeakPolarHBondContact O-CG1 3.44Å; T241-I245 PolarHBondContact O-N 3.03Å; V242-I245 PolarHBondContact O-N 3.45Å; I245-R249 HydrophobicContact CG2-CG 4.44Å; I245-R249 WeakPolarHBondContact O-CB 3.33Å; I245-R249 VanDerWaalsContact O-CG 3.27Å; I245-R249 WeakPolarHBondContact O-CG 3.24Å; I245-R249 PolarHBondContact O-N 2.7Å
246K77.8Confident73.5Confident143 Ų143108.4 Ų108.462%0.62259%0.594SS**Hα-helixtrans-63.8-42.1174.5-84.2-176.4172.9178.70112V242 L243 I244 R249 S250V242-K246 HydrophobicContact CG1-CD 4.49Å; V242-K246 WeakPolarHBondContact O-CB 3.49Å; V242-K246 PolarHBondContact O-N 2.94Å; L243-K246 PolarHBondContact O-N 3.42Å; I244-K246 VanDerWaalsContact C-N 3.33Å; I244-K246 PolarHBondContact O-N 2.95Å; K246-R249 PolarHBondContact O-N 3.35Å; K246-S250 VanDerWaalsContact O-CB 3.31Å; K246-S250 WeakPolarHBondContact O-CB 3.13Å; K246-S250 PolarHBondContact O-N 2.69Å
247S72.3Confident71.3Confident73 Ų73115.7 Ų115.751%0.5162%0.617SS.*Hα-helixtrans-66.5-40.5177.9760000112L243 I244 R249 S250 G251L243-S247 PolarHBondContact O-N 2.97Å; I244-S247 PolarHBondContact O-N 3.06Å; I244-S247 PolarHBondContact O-OG 3.21Å; S247-R249 PolarHBondContact O-N 3.32Å; S247-S250 PolarHBondContact O-N 3.45Å; S247-G251 PolarHBondContact O-N 2.77Å
248L72.9Confident68.7Low116 Ų116113.7 Ų113.761%0.60762%0.623SS**Hα-helixtrans-67.9-32.9176.2-70.2170.4000113I244 R252I244-L248 HydrophobicContact CG2-CD1 3.74Å; I244-L248 HydrophobicContact CG2-CG 4.31Å; I244-L248 WeakPolarHBondContact O-CB 3.39Å; I244-L248 VanDerWaalsContact O-CG 3.27Å; I244-L248 WeakPolarHBondContact O-CG 3.38Å; I244-L248 PolarHBondContact O-N 3.48Å; L248-R252 PolarHBondContact O-N 2.91Å
249R66.8Low66.7Low195 Ų195114.6 Ų114.674%0.73664%0.637SS**Hα-helixtrans-75.4-33.9173-72.4178.3-174.1-175.13.5112.3I245 K246 S247 R252I245-R249 HydrophobicContact CG2-CG 4.44Å; I245-R249 WeakPolarHBondContact O-CB 3.33Å; I245-R249 VanDerWaalsContact O-CG 3.27Å; I245-R249 WeakPolarHBondContact O-CG 3.24Å; I245-R249 PolarHBondContact O-N 2.7Å; K246-R249 PolarHBondContact O-N 3.35Å; S247-R249 PolarHBondContact O-N 3.32Å; R249-R252 PolarHBondContact O-N 2.97Å
250S58.6Low64.2Low101 Ų101122.9 Ų122.971%0.70668%0.677SS**Hα-helixtrans-76.5-22.8176.3-160.20000113.2K246 S247K246-S250 VanDerWaalsContact O-CB 3.31Å; K246-S250 WeakPolarHBondContact O-CB 3.13Å; K246-S250 PolarHBondContact O-N 2.69Å; S247-S250 PolarHBondContact O-N 3.45Å
251G55.8Low62.9Low68 Ų68127.7 Ų127.770%0.70170%0.697SS**SBendtrans-83.2-9.8172.200000114.6S247S247-G251 PolarHBondContact O-N 2.77Å
252R49.6Very low61.5Low218 Ų218130.8 Ų130.882%0.82371%0.711SS**  trans-9866.5168.2-87.7-175.7175.1152-0.6109.8L248 R249 P254L248-R252 PolarHBondContact O-N 2.91Å; R249-R252 PolarHBondContact O-N 2.97Å; R252-P254 WeakPolarHBondContact O-CD 3.31Å
253D50.6Low60Low122 Ų122134.2 Ų134.265%0.65273%0.727SS**  trans-91.1112.5159.1-161.3-3.2000108.1R255D253-R255 PolarHBondContact O-N 3.49Å
254P47.5Very low58.4Low122 Ų122135.7 Ų135.779%0.79274%0.737SS**  trans-7757.8-176.831.5-34.2000112.4R252R252-P254 WeakPolarHBondContact O-CD 3.31Å
255R50.7Low56.6Low227 Ų227138.1 Ų138.186%0.85775%0.751SS**  trans-130.160.1168-70.5-169.8-165.3167.36.6111.8D253D253-R255 PolarHBondContact O-N 3.49Å
256A46.7Very low54.8Low102 Ų102142 Ų14284%0.84377%0.774SS**  trans-138.753.815600000109.6
257Q45.8Very low53.2Low196 Ų196141.9 Ų141.992%0.91679%0.785SS**  trans-111.397.4153.2-100.7170.2-21.800106.2
258G39.1Very low51.7Low69 Ų69147.2 Ų147.271%0.71181%0.806SS**  trans-82.9148.1160.500000109.5
259P48.8Very low49.9Very low127 Ų127149.8 Ų149.883%0.82582%0.823SS**  trans-80.5145.8-174.433.3-32.8000112.4
260L39.1Very low48.4Very low251 Ų251145.7 Ų145.7100%1.31483%0.831SS**  trans39.10164.7-67.2171.7000118.3

Retrieved 260 of 260 residues in 74.8 ms (Link to these results)

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