A0A087XJB5_POEFO Loading...

Adipocyte plasma membrane-associated protein

AlphaFold DB , UniProt , Accession A0A087XJB5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 386 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
1S52.9Low66.8Low163 Ų163118.6 Ų118.6100%1.1465%0.652SS**  0-11054.10000114.8
2S55.5Low67.9Low109 Ų109115.8 Ų115.876%0.76264%0.641SS**Hα-helixtrans-71.9-30-177.4170.40000115.9Y4S2-Y4 PolarHBondContact O-N 2.97Å
3S57.4Low68.9Low87 Ų87115.1 Ų115.161%0.60864%0.635SS**Hα-helixtrans-70-28.6-175.7158.60000115
4Y57.7Low69.7Low189 Ų189115.8 Ų115.874%0.74164%0.636SS**Hα-helixtrans-75.8-39.3-175.6-154.3-95.8000111.9S2 G6 K7 V8S2-Y4 PolarHBondContact O-N 2.97Å; Y4-G6 PolarHBondContact O-N 3.45Å; Y4-K7 PolarHBondContact O-N 2.81Å; Y4-V8 HydrophobicContact CD1-CG2 4.02Å; Y4-V8 HydrophobicContact CE1-CG2 4.01Å; Y4-V8 WeakPolarHBondContact O-CG2 3.46Å; Y4-V8 PolarHBondContact O-N 2.93Å; Y4-V8 VanDerWaalsContact O-N 3.1Å
5S65.9Low70.4Confident87 Ų87112.7 Ų112.761%0.60863%0.626SS**Hα-helixtrans-63.7-37.4179.4-166.80000112.7F9S5-F9 VanDerWaalsContact O-CB 3.29Å; S5-F9 WeakPolarHBondContact O-CB 3.38Å; S5-F9 PolarHBondContact O-N 3.05Å
6G70.4Confident71.1Confident38 Ų38111.9 Ų111.939%0.39262%0.619SS.*Hα-helixtrans-71.3-32.7178.300000113.6Y4 R10Y4-G6 PolarHBondContact O-N 3.45Å; G6-R10 WeakPolarHBondContact O-CB 3.45Å; G6-R10 WeakPolarHBondContact O-CG 3.3Å; G6-R10 PolarHBondContact O-N 2.75Å; G6-R10 VanDerWaalsContact O-N 3.1Å
7K72.2Confident71.6Confident143 Ų143106.8 Ų106.862%0.62260%0.598SS**Hα-helixtrans-71.9-45.4175.1-73.6-175.8-178.9-177.90111.6Y4 R10 V11Y4-K7 PolarHBondContact O-N 2.81Å; K7-R10 PolarHBondContact O-N 2.78Å; K7-V11 VanDerWaalsContact O-CG2 3.3Å; K7-V11 WeakPolarHBondContact O-CG2 3.36Å; K7-V11 PolarHBondContact O-N 2.89Å
8V75.3Confident72.2Confident73 Ų73105.9 Ų105.944%0.44260%0.596SS.*Hα-helixtrans-60.5-46.9176.1175.90000110.1Y4 R10 V11 T12Y4-V8 HydrophobicContact CD1-CG2 4.02Å; Y4-V8 HydrophobicContact CE1-CG2 4.01Å; Y4-V8 WeakPolarHBondContact O-CG2 3.46Å; Y4-V8 PolarHBondContact O-N 2.93Å; Y4-V8 VanDerWaalsContact O-N 3.1Å; V8-R10 PolarHBondContact O-N 3.16Å; V8-V11 PolarHBondContact O-N 2.84Å; V8-T12 WeakPolarHBondContact O-CB 3.35Å; V8-T12 PolarHBondContact O-N 2.81Å; V8-T12 PolarHBondContact O-OG1 3.02Å
9F75.1Confident72.8Confident144 Ų144108.6 Ų108.663%0.63260%0.601SS**Hα-helixtrans-58.4-44.4176.7-176.2-100.2000113.1S5 T12 L13S5-F9 VanDerWaalsContact O-CB 3.29Å; S5-F9 WeakPolarHBondContact O-CB 3.38Å; S5-F9 PolarHBondContact O-N 3.05Å; F9-T12 PolarHBondContact O-N 2.83Å; F9-L13 WeakPolarHBondContact O-CB 3.3Å; F9-L13 PolarHBondContact O-N 3.37Å
10R72.5Confident73.1Confident185 Ų185108.4 Ų108.470%0.69860%0.598SS**Hα-helixtrans-63.8-43.3176.1-78.3-179.8-179.4-172.10.9112.6G6 K7 V8 L13 L14G6-R10 WeakPolarHBondContact O-CB 3.45Å; G6-R10 WeakPolarHBondContact O-CG 3.3Å; G6-R10 PolarHBondContact O-N 2.75Å; G6-R10 VanDerWaalsContact O-N 3.1Å; K7-R10 PolarHBondContact O-N 2.78Å; V8-R10 PolarHBondContact O-N 3.16Å; R10-L13 PolarHBondContact O-N 2.79Å; R10-L14 WeakPolarHBondContact O-CB 3.4Å; R10-L14 WeakPolarHBondContact O-CD1 3.46Å; R10-L14 VanDerWaalsContact O-CG 3.23Å; R10-L14 WeakPolarHBondContact O-CG 3.25Å; R10-L14 PolarHBondContact O-N 3.43Å
11V79.6Confident73.6Confident87 Ų87108.5 Ų108.553%0.52760%0.597SS.*Hα-helixtrans-64.7-46.6178172.40000110K7 V8 L13 L14 S15K7-V11 VanDerWaalsContact O-CG2 3.3Å; K7-V11 WeakPolarHBondContact O-CG2 3.36Å; K7-V11 PolarHBondContact O-N 2.89Å; V8-V11 PolarHBondContact O-N 2.84Å; V11-L13 PolarHBondContact O-N 3.2Å; V11-L14 PolarHBondContact O-N 3.49Å; V11-S15 VanDerWaalsContact O-CB 3.32Å; V11-S15 WeakPolarHBondContact O-CB 3.32Å; V11-S15 PolarHBondContact O-N 3.45Å; V11-S15 PolarHBondContact O-OG 2.85Å
12T80.3Confident75.1Confident85 Ų85105.1 Ų105.152%0.52157%0.565SS.*Hα-helixtrans-60.1-43.8177-55.10000112V8 F9 S15 L16V8-T12 WeakPolarHBondContact O-CB 3.35Å; V8-T12 PolarHBondContact O-N 2.81Å; V8-T12 PolarHBondContact O-OG1 3.02Å; F9-T12 PolarHBondContact O-N 2.83Å; T12-S15 PolarHBondContact O-N 2.81Å; T12-L16 VanDerWaalsContact O-CB 3.29Å; T12-L16 WeakPolarHBondContact O-CB 3.44Å; T12-L16 PolarHBondContact O-N 2.8Å
13L80.8Confident76.3Confident106 Ų106102.7 Ų102.756%0.55555%0.547SS*.Hα-helixtrans-65.8-41.8178.1-172.667.8000112.2F9 R10 V11 L16 G17F9-L13 WeakPolarHBondContact O-CB 3.3Å; F9-L13 PolarHBondContact O-N 3.37Å; R10-L13 PolarHBondContact O-N 2.79Å; V11-L13 PolarHBondContact O-N 3.2Å; L13-L16 PolarHBondContact O-N 2.88Å; L13-G17 PolarHBondContact O-N 3.01Å
14L80.6Confident77.3Confident125 Ų125102 Ų10265%0.65454%0.536SS*.Hα-helixtrans-65.5-44.6175.5-74.9167.4000111.5R10 V11 L16 G17 V18R10-L14 WeakPolarHBondContact O-CB 3.4Å; R10-L14 WeakPolarHBondContact O-CD1 3.46Å; R10-L14 VanDerWaalsContact O-CG 3.23Å; R10-L14 WeakPolarHBondContact O-CG 3.25Å; R10-L14 PolarHBondContact O-N 3.43Å; V11-L14 PolarHBondContact O-N 3.49Å; L14-L16 VanDerWaalsContact C-N 3.33Å; L14-L16 PolarHBondContact O-N 3.26Å; L14-G17 PolarHBondContact O-N 3.15Å; L14-V18 WeakPolarHBondContact O-CG2 3.48Å; L14-V18 PolarHBondContact O-N 3.36Å
15S80.3Confident78.5Confident70 Ų7097.2 Ų97.249%0.4952%0.523SS..Hα-helixtrans-62-40.7176.2-63.30000111.8V11 T12 V18 F19V11-S15 VanDerWaalsContact O-CB 3.32Å; V11-S15 WeakPolarHBondContact O-CB 3.32Å; V11-S15 PolarHBondContact O-N 3.45Å; V11-S15 PolarHBondContact O-OG 2.85Å; T12-S15 PolarHBondContact O-N 2.81Å; S15-V18 PolarHBondContact O-N 3.48Å; S15-F19 VanDerWaalsContact O-CB 3.28Å; S15-F19 WeakPolarHBondContact O-CB 3.18Å; S15-F19 PolarHBondContact O-N 2.99Å
16L81.9Confident79.3Confident99 Ų9997 Ų9752%0.51851%0.514SS..Hα-helixtrans-65.1-42174.7-16576.9000111.3T12 L13 L14 F19 L20T12-L16 VanDerWaalsContact O-CB 3.29Å; T12-L16 WeakPolarHBondContact O-CB 3.44Å; T12-L16 PolarHBondContact O-N 2.8Å; L13-L16 PolarHBondContact O-N 2.88Å; L14-L16 VanDerWaalsContact C-N 3.33Å; L14-L16 PolarHBondContact O-N 3.26Å; L16-F19 PolarHBondContact O-N 3.28Å; L16-L20 HydrophobicContact CG-CD1 4.36Å; L16-L20 WeakPolarHBondContact O-CG 2.92Å; L16-L20 PolarHBondContact O-N 2.75Å
17G78.6Confident79.7Confident25 Ų2597.5 Ų97.526%0.25851%0.507SS..Hα-helixtrans-60.2-47.6174.200000112.2L13 L14 F19 L20 I21L13-G17 PolarHBondContact O-N 3.01Å; L14-G17 PolarHBondContact O-N 3.15Å; G17-F19 PolarHBondContact O-N 3.08Å; G17-L20 PolarHBondContact O-N 3.22Å; G17-I21 VanDerWaalsContact O-CB 3.26Å; G17-I21 WeakPolarHBondContact O-CB 2.82Å; G17-I21 WeakPolarHBondContact O-CD1 3.49Å; G17-I21 WeakPolarHBondContact O-CG1 3.37Å; G17-I21 PolarHBondContact O-N 3.49Å
18V82.1Confident80.1Confident91 Ų9194.5 Ų94.555%0.55249%0.494SS*.Hα-helixtrans-62-43.3175.6172.40000111L14 S15 L20 I21 L22L14-V18 WeakPolarHBondContact O-CG2 3.48Å; L14-V18 PolarHBondContact O-N 3.36Å; S15-V18 PolarHBondContact O-N 3.48Å; V18-L20 VanDerWaalsContact C-N 3.26Å; V18-L20 PolarHBondContact O-N 3.07Å; V18-I21 PolarHBondContact O-N 2.82Å; V18-L22 WeakPolarHBondContact O-CB 3.48Å; V18-L22 PolarHBondContact O-N 3.31Å
19F83.8Confident80.4Confident158 Ų15897.2 Ų97.269%0.69351%0.505SS*.Hα-helixtrans-64.1-29.1179.4-169.1-97000113.2S15 L16 G17 P23S15-F19 VanDerWaalsContact O-CB 3.28Å; S15-F19 WeakPolarHBondContact O-CB 3.18Å; S15-F19 PolarHBondContact O-N 2.99Å; L16-F19 PolarHBondContact O-N 3.28Å; G17-F19 PolarHBondContact O-N 3.08Å; F19-P23 WeakPolarHBondContact O-CD 3.39Å; F19-P23 WeakPolarHBondContact O-CG 3.21Å
20L80.3Confident80.9Confident104 Ų10496.3 Ų96.355%0.54551%0.506SS..Hα-helixtrans-87.1-40.3175.7-69.2169.6000112.7L16 G17 V18 L24L16-L20 HydrophobicContact CG-CD1 4.36Å; L16-L20 WeakPolarHBondContact O-CG 2.92Å; L16-L20 PolarHBondContact O-N 2.75Å; G17-L20 PolarHBondContact O-N 3.22Å; V18-L20 VanDerWaalsContact C-N 3.26Å; V18-L20 PolarHBondContact O-N 3.07Å; L20-L24 WeakPolarHBondContact O-CD1 3.11Å; L20-L24 WeakPolarHBondContact O-CG 3.32Å
21I82.2Confident81.5Confident111 Ų11191.5 Ų91.557%0.56949%0.493SS*.Hα-helixtrans-77.6-38.8-174.5-65.9167.2000111.5G17 V18 L24 L25G17-I21 VanDerWaalsContact O-CB 3.26Å; G17-I21 WeakPolarHBondContact O-CB 2.82Å; G17-I21 WeakPolarHBondContact O-CD1 3.49Å; G17-I21 WeakPolarHBondContact O-CG1 3.37Å; G17-I21 PolarHBondContact O-N 3.49Å; V18-I21 PolarHBondContact O-N 2.82Å; I21-L24 PolarHBondContact O-N 2.66Å; I21-L25 WeakPolarHBondContact O-CB 3.1Å; I21-L25 PolarHBondContact O-N 2.83Å
22L84.1Confident82Confident92 Ų9296 Ų9648%0.48251%0.509SS..Hα-helixtrans-63.2-46.3-176.3-17471.8000112.3V18 L24 L25 I26V18-L22 WeakPolarHBondContact O-CB 3.48Å; V18-L22 PolarHBondContact O-N 3.31Å; L22-L24 PolarHBondContact O-N 2.98Å; L22-L25 PolarHBondContact O-N 2.03Å; L22-I26 HydrophobicContact CG-CD1 4.01Å; L22-I26 WeakPolarHBondContact O-CB 3.32Å; L22-I26 VanDerWaalsContact O-CG1 3.24Å; L22-I26 WeakPolarHBondContact O-CG1 3.37Å; L22-I26 PolarHBondContact O-N 3.09Å
23P82Confident82.5Confident57 Ų5793 Ų9337%0.3749%0.492SS..Hα-helixtrans-62.4-40.4174.1-22.634.3000112.8F19 L25 I26 I27F19-P23 WeakPolarHBondContact O-CD 3.39Å; F19-P23 WeakPolarHBondContact O-CG 3.21Å; P23-L25 VanDerWaalsContact C-N 3.32Å; P23-L25 PolarHBondContact O-N 3.3Å; P23-I26 PolarHBondContact O-N 2.93Å; P23-I27 WeakPolarHBondContact O-CB 2.94Å; P23-I27 WeakPolarHBondContact O-CG1 3Å; P23-I27 PolarHBondContact O-N 2.83Å
24L78.9Confident83.1Confident72 Ų7290.5 Ų90.538%0.37748%0.481SS..Hα-helixtrans-62.5-39.7176.3-78.1166.9000111.8L20 I21 L22 F28 L314 L318L20-L24 WeakPolarHBondContact O-CD1 3.11Å; L20-L24 WeakPolarHBondContact O-CG 3.32Å; I21-L24 PolarHBondContact O-N 2.66Å; L22-L24 PolarHBondContact O-N 2.98Å; L24-F28 VanDerWaalsContact O-CB 3.24Å; L24-F28 WeakPolarHBondContact O-CB 3.49Å; L24-F28 PolarHBondContact O-N 2.86Å; L24-L314 HydrophobicContact CD2-CD1 4.13Å; L24-L314 HydrophobicContact CD2-CD2 4.41Å; L24-L318 HydrophobicContact CD2-CD1 3.97Å
25L81.1Confident83.8Confident90 Ų9084.6 Ų84.647%0.47145%0.45SS..Hα-helixtrans-66.9-43.8175.5-17567.4000111.3I21 L22 P23 F28 L29I21-L25 WeakPolarHBondContact O-CB 3.1Å; I21-L25 PolarHBondContact O-N 2.83Å; L22-L25 PolarHBondContact O-N 2.03Å; P23-L25 VanDerWaalsContact C-N 3.32Å; P23-L25 PolarHBondContact O-N 3.3Å; L25-F28 PolarHBondContact O-N 2.77Å; L25-L29 HydrophobicContact CD1-CD1 4.42Å; L25-L29 HydrophobicContact CG-CD1 4.15Å; L25-L29 VanDerWaalsContact O-CG 3.32Å; L25-L29 WeakPolarHBondContact O-CG 3.09Å; L25-L29 PolarHBondContact O-N 3.06Å
26I82.6Confident84.6Confident83 Ų8387.7 Ų87.743%0.42646%0.457SS..Hα-helixtrans-60-49.2175.5-70.6167.4000110.2L22 P23 F28 L29 I30L22-I26 HydrophobicContact CG-CD1 4.01Å; L22-I26 WeakPolarHBondContact O-CB 3.32Å; L22-I26 VanDerWaalsContact O-CG1 3.24Å; L22-I26 WeakPolarHBondContact O-CG1 3.37Å; L22-I26 PolarHBondContact O-N 3.09Å; P23-I26 PolarHBondContact O-N 2.93Å; I26-F28 VanDerWaalsContact C-N 3.29Å; I26-F28 PolarHBondContact O-N 3.37Å; I26-L29 PolarHBondContact O-N 3.29Å; I26-L29 VanDerWaalsContact O-N 3.16Å; I26-I30 HydrophobicContact CG2-CD1 3.48Å; I26-I30 VanDerWaalsContact CG2-CD1 3.48Å; I26-I30 HydrophobicContact CG2-CG1 4.24Å; I26-I30 WeakPolarHBondContact O-CB 3.45Å; I26-I30 WeakPolarHBondContact O-CG1 3.39Å; I26-I30 PolarHBondContact O-N 3.07Å
27I79.4Confident85.2Confident48 Ų4883.6 Ų83.625%0.24644%0.437CS..Hα-helixtrans-58.2-43.8175.7-72.3166.4000110.7P23 L29 I30 L31 K317 L318P23-I27 WeakPolarHBondContact O-CB 2.94Å; P23-I27 WeakPolarHBondContact O-CG1 3Å; P23-I27 PolarHBondContact O-N 2.83Å; I27-L29 VanDerWaalsContact C-N 3.28Å; I27-L29 PolarHBondContact O-N 2.9Å; I27-I30 PolarHBondContact O-N 3.13Å; I27-L31 HydrophobicContact CG2-CD1 3.89Å; I27-L31 HydrophobicContact CG2-CG 4.32Å; I27-L31 WeakPolarHBondContact O-CB 3.21Å; I27-L31 PolarHBondContact O-N 3.44Å; I27-K317 HydrophobicContact CG2-CB 4.38Å; I27-L318 HydrophobicContact CD1-CD2 3.79Å; I27-L318 HydrophobicContact CG2-CD2 3.86Å
28F80.3Confident86Confident80 Ų8085.9 Ų85.935%0.35144%0.441SS..Hα-helixtrans-63.4-33.9179-176-93.4000112.7L24 L25 I26 K317L24-F28 VanDerWaalsContact O-CB 3.24Å; L24-F28 WeakPolarHBondContact O-CB 3.49Å; L24-F28 PolarHBondContact O-N 2.86Å; L25-F28 PolarHBondContact O-N 2.77Å; I26-F28 VanDerWaalsContact C-N 3.29Å; I26-F28 PolarHBondContact O-N 3.37Å; F28-K317 PolarHBondContact O-NZ 3.45Å
29L82.2Confident86.6Confident130 Ų13084.2 Ų84.268%0.68144%0.436SS*.Hα-helixtrans-84.6-33.2179.6-67.6172.4000113.2L25 I26 I27L25-L29 HydrophobicContact CD1-CD1 4.42Å; L25-L29 HydrophobicContact CG-CD1 4.15Å; L25-L29 VanDerWaalsContact O-CG 3.32Å; L25-L29 WeakPolarHBondContact O-CG 3.09Å; L25-L29 PolarHBondContact O-N 3.06Å; I26-L29 PolarHBondContact O-N 3.29Å; I26-L29 VanDerWaalsContact O-N 3.16Å; I27-L29 VanDerWaalsContact C-N 3.28Å; I27-L29 PolarHBondContact O-N 2.9Å
30I85.6Confident87.1Confident125 Ų12577.5 Ų77.564%0.64141%0.407SS*.Hα-helixtrans-91.7-45.7-173.3-63-179.6000112.5I26 I27I26-I30 HydrophobicContact CG2-CD1 3.48Å; I26-I30 VanDerWaalsContact CG2-CD1 3.48Å; I26-I30 HydrophobicContact CG2-CG1 4.24Å; I26-I30 WeakPolarHBondContact O-CB 3.45Å; I26-I30 WeakPolarHBondContact O-CG1 3.39Å; I26-I30 PolarHBondContact O-N 3.07Å; I27-I30 PolarHBondContact O-N 3.13Å
31L85Confident87.6Confident83 Ų8376.3 Ų76.344%0.43541%0.408SS..SBendtrans-81.7133-175.9-62.4-173000110.2I27 K317I27-L31 HydrophobicContact CG2-CD1 3.89Å; I27-L31 HydrophobicContact CG2-CG 4.32Å; I27-L31 WeakPolarHBondContact O-CB 3.21Å; I27-L31 PolarHBondContact O-N 3.44Å; L31-K317 HydrophobicContact CB-CB 4.4Å; L31-K317 HydrophobicContact CB-CD 4.26Å; L31-K317 HydrophobicContact CB-CG 4.24Å; L31-K317 WeakPolarHBondContact O-CD 3.42Å; L31-K317 WeakPolarHBondContact O-CE 3.47Å; L31-K317 PolarHBondContact O-NZ 3.33Å
32E89.2Confident88.2Confident181 Ų18172.1 Ų72.185%0.84639%0.386SS*.PPolyproline II helixtrans-76.5142.9168.3-66.5-172.9172.400110.2
33S91.5Very high88.7Confident24 Ų2473.9 Ų73.917%0.16839%0.39CS..PPolyproline II helixtrans-85.3132.7174.31690000108.4I35S33-I35 WeakPolarHBondContact CB-O 3.3Å; S33-I35 PolarHBondContact O-N 2.78Å; S33-I35 WeakPolarHBondContact OG-CG1 3.25Å; S33-I35 PolarHBondContact OG-N 2.72Å; S33-I35 PolarHBondContact OG-O 2.77Å
34P93.8Very high89.3Confident52 Ų5278.2 Ų78.234%0.33841%0.405SS..SBendtrans-64.9-25.2176.328.2-35.2000111.7R190 W191 F316P34-R190 PolarHBondContact O-NH2 3.21Å; P34-W191 WeakPolarHBondContact O-CH2 3.27Å; P34-W191 WeakPolarHBondContact O-CZ2 3.34Å; P34-F316 HydrophobicContact CG-CB 4.03Å; P34-F316 HydrophobicContact CG-CD1 4.34Å
35I95.6Very high90.1Very high1 Ų175.4 Ų75.41%0.00539%0.391CS..  trans-101.3149.8176.158.5170000113.4S33 P37 W191 H198 M201 E202 K312 F316S33-I35 WeakPolarHBondContact CB-O 3.3Å; S33-I35 PolarHBondContact O-N 2.78Å; S33-I35 WeakPolarHBondContact OG-CG1 3.25Å; S33-I35 PolarHBondContact OG-N 2.72Å; S33-I35 PolarHBondContact OG-O 2.77Å; I35-P37 HydrophobicContact CD1-CB 4.36Å; I35-P37 HydrophobicContact CD1-CG 4.13Å; I35-P37 HydrophobicContact CG1-CG 4.37Å; I35-P37 VanDerWaalsContact O-CD 3.28Å; I35-P37 WeakPolarHBondContact O-CD 3.31Å; I35-W191 HydrophobicContact CG2-CZ2 4.06Å; I35-H198 HydrophobicContact CG2-CB 3.76Å; I35-M201 HydrophobicContact CD1-CB 4.01Å; I35-E202 WeakPolarHBondContact CA-OE2 3.46Å; I35-E202 HydrophobicContact CB-CB 4.24Å; I35-E202 HydrophobicContact CG2-CB 4.21Å; I35-K312 HydrophobicContact CD1-CB 3.95Å; I35-F316 HydrophobicContact CD1-CB 4.17Å; I35-F316 HydrophobicContact CD1-CD2 3.66Å; I35-F316 HydrophobicContact CD1-CE2 4.2Å; I35-F316 HydrophobicContact CD1-CG 3.87Å; I35-F316 HydrophobicContact CG1-CB 4.08Å; I35-F316 HydrophobicContact CG1-CD2 4.45Å; I35-F316 HydrophobicContact CG1-CG 4.18Å
36Q95.8Very high90.8Very high135 Ų13572.8 Ų72.863%0.63138%0.379SS*.  trans-116.469.1170.5-60.9-173.121.300110.2E202Q36-E202 PolarHBondContact N-OE2 2.89Å
37P95.7Very high91.4Very high13 Ų1373.6 Ų73.68%0.08438%0.382CS..PPolyproline II helixtrans-66.1137.5-16723.8-34.4000113.8I35 E202 P309 K312 K313I35-P37 HydrophobicContact CD1-CB 4.36Å; I35-P37 HydrophobicContact CD1-CG 4.13Å; I35-P37 HydrophobicContact CG1-CG 4.37Å; I35-P37 VanDerWaalsContact O-CD 3.28Å; I35-P37 WeakPolarHBondContact O-CD 3.31Å; P37-E202 WeakPolarHBondContact CA-O 3.33Å; P37-P309 HydrophobicContact CB-CB 4.18Å; P37-P309 HydrophobicContact CG-CB 3.95Å; P37-P309 VanDerWaalsContact CG-O 3.3Å; P37-P309 WeakPolarHBondContact CG-O 3.15Å; P37-P309 WeakPolarHBondContact O-CB 3.26Å; P37-K312 HydrophobicContact CB-CB 4.22Å; P37-K312 HydrophobicContact CB-CD 3.9Å; P37-K312 HydrophobicContact CG-CB 4.03Å; P37-K313 HydrophobicContact CG-CD 4.5Å; P37-K313 HydrophobicContact CG-CG 3.68Å
38E94.9Very high92.2Very high74 Ų7472.5 Ų72.535%0.34638%0.376SS..PPolyproline II helixtrans-89.2146.2168.4-69.2176.5-16200110.5E202 R227E38-E202 PolarHBondContact N-O 2.87Å; E38-R227 IonicContact OE2-NH2 3.09Å; E38-R227 PolarHBondContact OE2-NH2 3.39Å
39A94.8Very high92.9Very high56 Ų5674.9 Ų74.946%0.46339%0.386SS..PPolyproline II helixtrans-77.8133.9167.400000108.9S306 P309A39-S306 WeakPolarHBondContact CA-O 3.48Å; A39-P309 HydrophobicContact CB-CG 3.8Å
40F93.7Very high93.6Very high16 Ų1671.4 Ų71.47%0.0738%0.381CS..  trans-142.7156.5173.571.5-80.9000110.8L42 A203 T247 M248 S306 Q307F40-L42 HydrophobicContact CD2-CD2 4.34Å; F40-L42 HydrophobicContact CD2-CG 4.08Å; F40-L42 HydrophobicContact CE2-CD1 3.78Å; F40-L42 HydrophobicContact CE2-CD2 3.9Å; F40-L42 HydrophobicContact CE2-CG 3.57Å; F40-L42 HydrophobicContact CZ-CD1 4.36Å; F40-A203 HydrophobicContact CD1-CB 3.48Å; F40-A203 VanDerWaalsContact CD1-CB 3.48Å; F40-A203 HydrophobicContact CE1-CB 3.39Å; F40-A203 HydrophobicContact CG-CB 4.41Å; F40-A203 HydrophobicContact CZ-CB 4.25Å; F40-T247 HydrophobicContact CE1-CG2 4.24Å; F40-T247 HydrophobicContact CE2-CG2 4.2Å; F40-T247 WeakPolarHBondContact CE2-O 3.45Å; F40-T247 HydrophobicContact CZ-CG2 3.81Å; F40-M248 HydrophobicContact CD2-CE 4.46Å; F40-M248 HydrophobicContact CD2-SD 3.64Å; F40-M248 HydrophobicContact CE2-SD 4.19Å; F40-M248 HydrophobicContact CG-SD 4.39Å; F40-S306 PolarHBondContact N-O 2.89Å; F40-S306 VanDerWaalsContact N-O 3.08Å; F40-S306 CarbonylContact O-C 3.4Å; F40-S306 VanDerWaalsContact O-CB 3.28Å; F40-S306 WeakPolarHBondContact O-CB 3.3Å; F40-S306 PolarHBondContact O-OG 2.87Å; F40-Q307 PolarHBondContact O-NE2 3.27Å; F40-Q307 VanDerWaalsContact O-NE2 3.12Å
41S92.1Very high94Very high80 Ų8067.1 Ų67.156%0.55936%0.362SS*.  trans-104.2126.9-177.9-157.90000111.1Q307S41-Q307 VanDerWaalsContact CA-NE2 3.27Å; S41-Q307 VanDerWaalsContact CB-NE2 3.32Å; S41-Q307 PolarHBondContact OG-NE2 3.27Å
42L94.3Very high94.6Very high23 Ų2364.8 Ų64.812%0.1235%0.347CS..  trans-105.6135.4163.1-68.1172.7000107.4F40 A249 F274F40-L42 HydrophobicContact CD2-CD2 4.34Å; F40-L42 HydrophobicContact CD2-CG 4.08Å; F40-L42 HydrophobicContact CE2-CD1 3.78Å; F40-L42 HydrophobicContact CE2-CD2 3.9Å; F40-L42 HydrophobicContact CE2-CG 3.57Å; F40-L42 HydrophobicContact CZ-CD1 4.36Å; L42-A249 HydrophobicContact CD2-CB 4.48Å; L42-F274 HydrophobicContact CD1-CE1 4.43Å
43K94.7Very high95Very high129 Ų12961.9 Ų61.956%0.56133%0.334SS*.PPolyproline II helixtrans-63.8156.2168.9-68.5174.4179.5170.30108.8D269 N270 R294K43-D269 WeakPolarHBondContact CE-OD2 3.15Å; K43-D269 IonicContact NZ-OD2 3.92Å; K43-D269 PolarHBondContact NZ-OD2 2.87Å; K43-N270 HydrophobicContact CB-CB 4.26Å; K43-N270 HydrophobicContact CD-CB 4.34Å; K43-N270 PolarHBondContact O-OD1 2.83Å; K43-R294 PolarHBondContact O-NH2 3.18Å
44E95.1Very high95.2Very high147 Ų14764 Ų6469%0.68735%0.347SS*.PPolyproline II helixtrans-54.4126.8172.8-170.3-177.9165.200109.7N270 N296E44-N270 PolarHBondContact O-ND2 2.78Å; E44-N296 PolarHBondContact OE1-ND2 2.88Å
45P95.6Very high95.4Very high14 Ų1463.8 Ų63.89%0.09134%0.343CS..PPolyproline II helixtrans-60.3149.4-175.917.5-25.3000111.1R294 N296P45-R294 HydrophobicContact CB-CB 3.71Å; P45-R294 VanDerWaalsContact CB-O 3.29Å; P45-R294 WeakPolarHBondContact CB-O 3.47Å; P45-R294 HydrophobicContact CG-CB 3.98Å; P45-N296 HydrophobicContact CB-CB 4.47Å; P45-N296 HydrophobicContact CG-CB 4.17Å; P45-N296 WeakPolarHBondContact O-CB 3.29Å; P45-N296 PolarHBondContact O-ND2 2.84Å
46P95Very high95.5Very high34 Ų3467.9 Ų67.922%0.22136%0.364CS..PPolyproline II helixtrans-62.2148.3-18026.4-33.7000110.3M48 N270 P272P46-M48 PolarHBondContact O-N 3.09Å; P46-N270 WeakPolarHBondContact CD-O 3.42Å; P46-N270 WeakPolarHBondContact CG-O 3.46Å; P46-P272 HydrophobicContact CG-CB 3.96Å; P46-P272 HydrophobicContact CG-CG 4.45Å
47Q96.1Very high95.6Very high101 Ų10164.1 Ų64.147%0.47234%0.344SS..PPolyproline II helixtrans-59.7135.1174.8-68-169.9-1.500110.1K49 N296Q47-K49 HydrophobicContact CB-CD 4.45Å; Q47-K49 HydrophobicContact CB-CG 4.34Å; Q47-K49 PolarHBondContact O-N 3.06Å; Q47-N296 WeakPolarHBondContact CA-O 3.1Å
48M95.4Very high95.7Very high24 Ų2463.5 Ų63.512%0.11834%0.34CS..SBendtrans-74.864175.3-65.7-69.9-73.600110.2P46 W52 P54 P272 N296P46-M48 PolarHBondContact O-N 3.09Å; M48-W52 VanDerWaalsContact CE-O 3.27Å; M48-W52 WeakPolarHBondContact CE-O 3.39Å; M48-W52 HydrophobicContact SD-CB 4.22Å; M48-P54 HydrophobicContact CB-CG 4.3Å; M48-P54 HydrophobicContact CE-CG 3.97Å; M48-P272 HydrophobicContact SD-CB 3.68Å; M48-N296 PolarHBondContact N-O 3.1Å
49K95.9Very high95.8Very high131 Ų13163.4 Ų63.457%0.5734%0.337SS*.  trans-134.1161.5-179.1-70.1-175.9-178.1164.40110.4Q47 C51 W52Q47-K49 HydrophobicContact CB-CD 4.45Å; Q47-K49 HydrophobicContact CB-CG 4.34Å; Q47-K49 PolarHBondContact O-N 3.06Å; K49-C51 PolarHBondContact O-N 3.14Å; K49-W52 PolarHBondContact O-N 2.86Å; K49-W52 VanDerWaalsContact O-N 3.13Å
50G95.8Very high96Very high56 Ų5665.5 Ų65.558%0.57734%0.337SS*.G310 helixtrans60.9-123.7179.900000110W52 E53G50-W52 PolarHBondContact O-N 2.79Å; G50-W52 VanDerWaalsContact O-N 3.12Å; G50-E53 VanDerWaalsContact O-CB 3.3Å; G50-E53 WeakPolarHBondContact O-CB 3.43Å; G50-E53 PolarHBondContact O-N 2.83Å; G50-E53 VanDerWaalsContact O-N 3.12Å
51C95.1Very high96.2Very high35 Ų3565.2 Ų65.224%0.23634%0.338CS..G310 helixtrans-61.3-21.3178.7-168.40000114K49 C343 R345 S346K49-C51 PolarHBondContact O-N 3.14Å; C51-C343 HydrophobicContact CB-CB 3.62Å; C51-C343 WeakPolarHBondContact CB-SG 3.27Å; C51-C343 WeakPolarHBondContact SG-CB 3.41Å; C51-C343 PolarHBondContact SG-O 3.47Å; C51-C343 CovalentContact SG-SG 2.03Å; C51-C343 PolarHBondContact SG-SG 2.76Å; C51-R345 WeakPolarHBondContact SG-CA 3.21Å; C51-R345 PolarHBondContact SG-N 2.88Å; C51-S346 VanDerWaalsContact O-CB 3.25Å; C51-S346 WeakPolarHBondContact O-CB 3.32Å; C51-S346 PolarHBondContact O-OG 3.27Å
52W96.8Very high96.4Very high35 Ų3565.6 Ų65.613%0.13333%0.327CS..G310 helixtrans-995.5-179.5-55.3119.2000113.5M48 K49 G50 L271 P272 M290 A335 I337 C343 H348M48-W52 VanDerWaalsContact CE-O 3.27Å; M48-W52 WeakPolarHBondContact CE-O 3.39Å; M48-W52 HydrophobicContact SD-CB 4.22Å; K49-W52 PolarHBondContact O-N 2.86Å; K49-W52 VanDerWaalsContact O-N 3.13Å; G50-W52 PolarHBondContact O-N 2.79Å; G50-W52 VanDerWaalsContact O-N 3.12Å; W52-L271 HydrophobicContact CH2-CD2 4.08Å; W52-L271 HydrophobicContact CZ2-CD2 4.44Å; W52-P272 HydrophobicContact CD2-CG 3.64Å; W52-P272 HydrophobicContact CE3-CG 3.43Å; W52-P272 VanDerWaalsContact CE3-CG 3.43Å; W52-P272 HydrophobicContact CG-CG 4.21Å; W52-P272 HydrophobicContact CH2-CG 4.04Å; W52-P272 HydrophobicContact CZ2-CG 4.24Å; W52-P272 HydrophobicContact CZ3-CG 3.62Å; W52-M290 HydrophobicContact CZ3-CE 4.17Å; W52-A335 HydrophobicContact CH2-CB 4.1Å; W52-A335 HydrophobicContact CZ3-CB 3.55Å; W52-I337 HydrophobicContact CH2-CD1 4.2Å; W52-I337 HydrophobicContact CH2-CG1 4.48Å; W52-C343 HydrophobicContact CD2-CB 4.29Å; W52-C343 HydrophobicContact CH2-CB 3.82Å; W52-C343 HydrophobicContact CZ2-CB 3.44Å; W52-C343 VanDerWaalsContact CZ2-CB 3.44Å; W52-C343 HydrophobicContact CZ3-CB 4.37Å; W52-H348 PolarHBondContact O-CE1 2.83Å
53E97.1Very high96.6Very high120 Ų12068.2 Ų68.256%0.56134%0.335SS*.  trans-63.5126.7-176.2-171.5165.7-177.200111.1G50 N55 H348G50-E53 VanDerWaalsContact O-CB 3.3Å; G50-E53 WeakPolarHBondContact O-CB 3.43Å; G50-E53 PolarHBondContact O-N 2.83Å; G50-E53 VanDerWaalsContact O-N 3.12Å; E53-N55 PolarHBondContact O-N 2.98Å; E53-N55 PolarHBondContact O-ND2 2.91Å; E53-H348 PolarHBondContact O-NE2 2.81Å
54P97.1Very high96.8Very high67 Ų6764.4 Ų64.444%0.43532%0.321SS..  trans-58.2128.9179.4-24.835.1000111.3M48M48-P54 HydrophobicContact CB-CG 4.3Å; M48-P54 HydrophobicContact CE-CG 3.97Å
55N97.6Very high96.9Very high48 Ų4858.7 Ų58.726%0.25729%0.293SS..  trans-132.4-173.1175.461.660.5000110.5E53 R57 S346 H348 P350E53-N55 PolarHBondContact O-N 2.98Å; E53-N55 PolarHBondContact O-ND2 2.91Å; N55-R57 WeakPolarHBondContact OD1-CB 3.36Å; N55-R57 WeakPolarHBondContact OD1-CG 3.35Å; N55-R57 PolarHBondContact OD1-N 3.11Å; N55-R57 VanDerWaalsContact OD1-N 3.1Å; N55-S346 PolarHBondContact ND2-O 3.41Å; N55-H348 PolarHBondContact ND2-CD2 2.96Å; N55-H348 VanDerWaalsContact O-CB 3.27Å; N55-H348 WeakPolarHBondContact O-CB 3.43Å; N55-H348 PolarHBondContact OD1-N 2.88Å; N55-H348 VanDerWaalsContact OD1-N 3.09Å; N55-P350 WeakPolarHBondContact O-CD 3.4Å
56L97.8Very high96.9Very high88 Ų8862.3 Ų62.346%0.46131%0.309SS..  trans-117.215.8-179.4-59.7-174.1000112.7L58 R59 H348 P350L56-L58 VanDerWaalsContact C-N 3.28Å; L56-L58 PolarHBondContact O-N 3.16Å; L56-R59 HydrophobicContact CB-CG 4.43Å; L56-R59 WeakPolarHBondContact O-CA 3.06Å; L56-R59 VanDerWaalsContact O-CB 3.23Å; L56-R59 WeakPolarHBondContact O-CB 3.4Å; L56-R59 PolarHBondContact O-N 2.84Å; L56-H348 CarbonylContact C-O 3.55Å; L56-P350 HydrophobicContact CD2-CG 4.39Å
57R97.5Very high97Very high55 Ų5566.8 Ų66.821%0.20833%0.331CS..G310 helixtrans-59.4-35.9-171-72.5-76.8-79.7159.6-9.6113N55 R59 E60 F347 L381 G385N55-R57 WeakPolarHBondContact OD1-CB 3.36Å; N55-R57 WeakPolarHBondContact OD1-CG 3.35Å; N55-R57 PolarHBondContact OD1-N 3.11Å; N55-R57 VanDerWaalsContact OD1-N 3.1Å; R57-R59 PolarHBondContact O-N 3.39Å; R57-E60 IonicContact CZ-OE2 3.37Å; R57-E60 IonicContact NH1-OE1 3.83Å; R57-E60 IonicContact NH1-OE2 3.68Å; R57-E60 PolarHBondContact NH1-OE2 3.02Å; R57-E60 WeakPolarHBondContact O-CB 3.15Å; R57-E60 PolarHBondContact O-N 3.04Å; R57-E60 VanDerWaalsContact O-N 3.14Å; R57-F347 HydrophobicContact CB-CB 4.07Å; R57-F347 HydrophobicContact CB-CD1 3.71Å; R57-F347 HydrophobicContact CB-CG 4.23Å; R57-F347 HydrophobicContact CG-CD1 4.12Å; R57-L381 VanDerWaalsContact O-CD1 3.31Å; R57-L381 WeakPolarHBondContact O-CD1 3.32Å; R57-G385 PolarHBondContact NH1-O 3.43Å
58L97.9Very high97.1Very high0 Ų067.9 Ų67.90%034%0.336CS..G310 helixtrans-66.4-17.2176.3-70.6-177.1000113.1L56 E60 A61 V334 F347 H348 D349 A355 I370 L381L56-L58 VanDerWaalsContact C-N 3.28Å; L56-L58 PolarHBondContact O-N 3.16Å; L58-E60 PolarHBondContact O-N 3.09Å; L58-A61 VanDerWaalsContact O-CB 3.29Å; L58-A61 WeakPolarHBondContact O-CB 3.18Å; L58-A61 PolarHBondContact O-N 3.44Å; L58-V334 HydrophobicContact CD1-CG2 4.28Å; L58-V334 HydrophobicContact CD2-CG2 4.39Å; L58-F347 WeakPolarHBondContact CD1-O 3.47Å; L58-F347 HydrophobicContact CD2-CB 3.58Å; L58-F347 HydrophobicContact CG-CB 3.65Å; L58-H348 WeakPolarHBondContact CB-O 3.26Å; L58-H348 PolarHBondContact N-O 3.08Å; L58-D349 HydrophobicContact CB-CB 3.85Å; L58-D349 HydrophobicContact CD1-CB 4.36Å; L58-A355 HydrophobicContact CB-CB 4.25Å; L58-A355 HydrophobicContact CD1-CB 4.48Å; L58-I370 HydrophobicContact CD2-CD1 3.43Å; L58-I370 VanDerWaalsContact CD2-CD1 3.43Å; L58-L381 HydrophobicContact CD2-CD2 4.23Å
59R97.4Very high97.2Very high72 Ų7266.8 Ų66.827%0.27233%0.331SS..G310 helixtrans-74.4-14.8175.2-59.4-172179.5168.23.9113.7L56 R57 D349 N351 V354L56-R59 HydrophobicContact CB-CG 4.43Å; L56-R59 WeakPolarHBondContact O-CA 3.06Å; L56-R59 VanDerWaalsContact O-CB 3.23Å; L56-R59 WeakPolarHBondContact O-CB 3.4Å; L56-R59 PolarHBondContact O-N 2.84Å; R57-R59 PolarHBondContact O-N 3.39Å; R59-D349 HydrophobicContact CG-CB 4.44Å; R59-D349 IonicContact CZ-OD1 2.78Å; R59-D349 IonicContact NE-OD1 2.88Å; R59-D349 PolarHBondContact NE-OD1 3.24Å; R59-D349 IonicContact NH2-OD1 3.53Å; R59-N351 PolarHBondContact NH2-OD1 2.8Å; R59-V354 HydrophobicContact CB-CB 4.48Å; R59-V354 HydrophobicContact CB-CG2 4Å; R59-V354 HydrophobicContact CG-CG2 4.24Å
60E97.4Very high97.2Very high101 Ų10164.6 Ų64.647%0.47233%0.325SS..G310 helixtrans-81.7-7.4174.9-61.8164.8-152.300111.8R57 L58 L381R57-E60 IonicContact CZ-OE2 3.37Å; R57-E60 IonicContact NH1-OE1 3.83Å; R57-E60 IonicContact NH1-OE2 3.68Å; R57-E60 PolarHBondContact NH1-OE2 3.02Å; R57-E60 WeakPolarHBondContact O-CB 3.15Å; R57-E60 PolarHBondContact O-N 3.04Å; R57-E60 VanDerWaalsContact O-N 3.14Å; L58-E60 PolarHBondContact O-N 3.09Å; E60-L381 HydrophobicContact CB-CD1 4.06Å
61A98Very high97.2Very high10 Ų1062 Ų628%0.08330%0.298CS..PPolyproline II helixtrans-67.7140.8178.500000111.9L58 V354 A379 V380 L381L58-A61 VanDerWaalsContact O-CB 3.29Å; L58-A61 WeakPolarHBondContact O-CB 3.18Å; L58-A61 PolarHBondContact O-N 3.44Å; A61-V354 HydrophobicContact CB-CG1 4.24Å; A61-V354 VanDerWaalsContact O-CG1 3.31Å; A61-V354 WeakPolarHBondContact O-CG1 3.29Å; A61-A379 HydrophobicContact CB-CB 4.14Å; A61-V380 CarbonylContact C-O 3.44Å; A61-V380 VanDerWaalsContact CA-O 3.25Å; A61-V380 WeakPolarHBondContact CA-O 3.46Å; A61-L381 HydrophobicContact CB-CB 4.18Å
62R97.7Very high97.3Very high87 Ų8760.4 Ų60.433%0.32829%0.287SS..EExtended strand (participates in β ladder)trans-88142.717072.7-177.7108.783.75.7110.5L64 K367 A379 V380 D382R62-L64 HydrophobicContact CG-CD2 4.26Å; R62-K367 VanDerWaalsContact NH2-NZ 3.14Å; R62-A379 CarbonylContact O-C 3.52Å; R62-A379 WeakPolarHBondContact O-CA 3.35Å; R62-V380 HydrophobicContact CG-CB 4.05Å; R62-V380 PolarHBondContact N-O 2.88Å; R62-V380 PolarHBondContact O-N 3.48Å; R62-D382 IonicContact CZ-OD2 3.63Å; R62-D382 IonicContact NH2-OD1 3.64Å; R62-D382 PolarHBondContact NH2-OD1 3.23Å; R62-D382 IonicContact NH2-OD2 3.7Å; R62-D382 PolarHBondContact NH2-OD2 2.93Å
63R97.9Very high97.4Very high79 Ų7958.9 Ų58.930%0.29828%0.281SS..EExtended strand (participates in β ladder)trans-86.6125.6172-67.1177176.8168-0.9110.3E66 L353 V354 Y377R63-E66 HydrophobicContact CB-CB 4.4Å; R63-E66 WeakPolarHBondContact CD-OE1 3.32Å; R63-E66 IonicContact CZ-OE1 2.94Å; R63-E66 IonicContact NE-OE1 3.92Å; R63-E66 IonicContact NH1-OE1 3.87Å; R63-E66 PolarHBondContact NH1-OE1 3.02Å; R63-L353 PolarHBondContact NH2-O 2.87Å; R63-V354 PolarHBondContact NE-O 3.47Å; R63-V354 VanDerWaalsContact NH2-CA 3.34Å; R63-V354 PolarHBondContact NH2-O 2.65Å; R63-Y377 HydrophobicContact CB-CD2 4.36Å; R63-Y377 HydrophobicContact CB-CG 4.24Å; R63-Y377 HydrophobicContact CG-CD1 4.33Å; R63-Y377 HydrophobicContact CG-CD2 3.78Å; R63-Y377 HydrophobicContact CG-CE2 4.03Å; R63-Y377 HydrophobicContact CG-CG 3.96Å; R63-Y377 VanDerWaalsContact NE-CZ 3.3Å; R63-Y377 PolarHBondContact NH2-OH 3.39Å
64L97.8Very high97.4Very high49 Ų4953.2 Ų53.226%0.25726%0.255SS..EExtended strand (participates in β ladder)trans-99.1142.4168.1-59.3-172.5000109.2R62 E66 Y369 Y377 I378 V380R62-L64 HydrophobicContact CG-CD2 4.26Å; L64-E66 VanDerWaalsContact C-N 3.27Å; L64-E66 PolarHBondContact O-N 3.44Å; L64-Y369 HydrophobicContact CD1-CE1 4.42Å; L64-Y377 WeakPolarHBondContact O-CA 3.35Å; L64-Y377 WeakPolarHBondContact O-CB 3.5Å; L64-I378 PolarHBondContact N-O 2.68Å; L64-I378 PolarHBondContact O-N 2.84Å; L64-I378 VanDerWaalsContact O-N 3.08Å; L64-V380 HydrophobicContact CD1-CG2 3.51Å; L64-V380 HydrophobicContact CG-CG2 3.76Å
65Y97.6Very high97.5Very high27 Ų2750.1 Ų50.111%0.10624%0.235CC..SBendtrans5838.3176.9-43.2-75.8000113.2D67 Q68 L69 L94 G96 I99Y65-D67 PolarHBondContact O-N 2.55Å; Y65-Q68 WeakPolarHBondContact O-CB 3.39Å; Y65-Q68 PolarHBondContact O-N 3.31Å; Y65-L69 HydrophobicContact CD2-CD1 3.86Å; Y65-L69 HydrophobicContact CG-CD1 4.07Å; Y65-L69 HydrophobicContact CG-CG 4.35Å; Y65-L94 HydrophobicContact CD2-CD1 4.45Å; Y65-L94 HydrophobicContact CE1-CD2 4.45Å; Y65-L94 HydrophobicContact CE2-CB 4.45Å; Y65-L94 HydrophobicContact CE2-CD1 3.88Å; Y65-L94 HydrophobicContact CE2-CD2 4.39Å; Y65-L94 HydrophobicContact CE2-CG 4.48Å; Y65-G96 PolarHBondContact OH-O 3.18Å; Y65-I99 HydrophobicContact CD1-CD1 3.71Å; Y65-I99 HydrophobicContact CD1-CG1 3.64Å; Y65-I99 HydrophobicContact CE1-CD1 4.45Å; Y65-I99 HydrophobicContact CE1-CG1 3.88Å; Y65-I99 HydrophobicContact CG-CD1 4.22Å; Y65-I99 HydrophobicContact CG-CG1 4.44Å
66E97.1Very high97.5Very high90 Ų9048.4 Ų48.442%0.42123%0.226SC..THydrogen-bonded Turntrans-54.4128.3179.8-167.7158.6-149.100111R63 L64 Q68R63-E66 HydrophobicContact CB-CB 4.4Å; R63-E66 WeakPolarHBondContact CD-OE1 3.32Å; R63-E66 IonicContact CZ-OE1 2.94Å; R63-E66 IonicContact NE-OE1 3.92Å; R63-E66 IonicContact NH1-OE1 3.87Å; R63-E66 PolarHBondContact NH1-OE1 3.02Å; L64-E66 VanDerWaalsContact C-N 3.27Å; L64-E66 PolarHBondContact O-N 3.44Å; E66-Q68 PolarHBondContact O-N 3.14Å; E66-Q68 VanDerWaalsContact O-N 3.15Å; E66-Q68 PolarHBondContact O-NE2 2.81Å
67D97Very high97.5Very high128 Ų12845.6 Ų45.668%0.68421%0.212SC*.THydrogen-bonded Turntrans59.416.6-176.6-56.9-41.4000115.6Y65 P376Y65-D67 PolarHBondContact O-N 2.55Å; D67-P376 PolarHBondContact N-O 2.92Å; D67-P376 VanDerWaalsContact N-O 3.07Å; D67-P376 WeakPolarHBondContact OD1-CG 3.47Å
68Q97Very high97.5Very high123 Ų12345.5 Ų45.558%0.57521%0.214SC*.THydrogen-bonded Turntrans-112.5-12.3-179.9-67.9167.170.300113.6Y65 E66 I99Y65-Q68 WeakPolarHBondContact O-CB 3.39Å; Y65-Q68 PolarHBondContact O-N 3.31Å; E66-Q68 PolarHBondContact O-N 3.14Å; E66-Q68 VanDerWaalsContact O-N 3.15Å; E66-Q68 PolarHBondContact O-NE2 2.81Å; Q68-I99 HydrophobicContact CB-CD1 3.71Å
69L96.8Very high97.3Very high2 Ų248 Ų481%0.0124%0.239CC..  trans-111.5159.7177.1-57179.2000110.4Y65 P72 L92 L94 I99 P376 I378Y65-L69 HydrophobicContact CD2-CD1 3.86Å; Y65-L69 HydrophobicContact CG-CD1 4.07Å; Y65-L69 HydrophobicContact CG-CG 4.35Å; L69-P72 HydrophobicContact CB-CG 4.09Å; L69-P72 HydrophobicContact CD1-CB 4.13Å; L69-P72 HydrophobicContact CD1-CG 3.84Å; L69-L92 HydrophobicContact CD2-CD1 3.51Å; L69-L94 HydrophobicContact CD2-CD2 4.4Å; L69-I99 HydrophobicContact CD2-CD1 3.92Å; L69-P376 PolarHBondContact N-O 2.8Å; L69-P376 CarbonylContact O-C 3.59Å; L69-P376 WeakPolarHBondContact O-CA 3.32Å; L69-P376 WeakPolarHBondContact O-CB 3.34Å; L69-I378 HydrophobicContact CD1-CD1 3.96Å; L69-I378 HydrophobicContact CD1-CG1 3.81Å
70L96.4Very high97.2Very high85 Ų8550.2 Ų50.245%0.44526%0.257SS..SBendtrans-121.590.4177.1-65.5172.4000108.9T86 A87 D88L70-T86 CarbonylContact O-C 3.52Å; L70-T86 VanDerWaalsContact O-CA 3.28Å; L70-T86 WeakPolarHBondContact O-CA 3.49Å; L70-T86 WeakPolarHBondContact O-CB 3.29Å; L70-A87 HydrophobicContact CB-CB 4.12Å; L70-A87 PolarHBondContact O-N 3.26Å; L70-D88 HydrophobicContact CD1-CB 4.18Å
71G96.4Very high97.2Very high2 Ų247.1 Ų47.12%0.02125%0.245CC..  trans52.963.8178.600000114.1E73 R121 S372 S375G71-E73 PolarHBondContact O-N 3.19Å; G71-R121 PolarHBondContact O-NH1 2.9Å; G71-R121 PolarHBondContact O-NH2 2.78Å; G71-S372 CarbonylContact C-O 3.54Å; G71-S372 WeakPolarHBondContact CA-O 3.28Å; G71-S375 WeakPolarHBondContact CA-O 3.12Å; G71-S375 PolarHBondContact N-O 2.91Å
72P97.8Very high97.2Very high0 Ų047.6 Ų47.60%025%0.245CC..  trans-68.492.1176.831.8-32.8000110.7L69 T84 G85 G371 S372 S375 Y377 I378L69-P72 HydrophobicContact CB-CG 4.09Å; L69-P72 HydrophobicContact CD1-CB 4.13Å; L69-P72 HydrophobicContact CD1-CG 3.84Å; P72-T84 WeakPolarHBondContact CA-OG1 3.33Å; P72-T84 HydrophobicContact CB-CG2 3.87Å; P72-T84 VanDerWaalsContact CB-OG1 3.29Å; P72-T84 WeakPolarHBondContact CB-OG1 3.28Å; P72-G85 WeakPolarHBondContact CA-O 3.39Å; P72-G371 CarbonylContact O-C 3.53Å; P72-G371 WeakPolarHBondContact O-CA 3.49Å; P72-S372 CarbonylContact C-O 3.56Å; P72-S372 VanDerWaalsContact C-O 3.27Å; P72-S372 PolarHBondContact O-N 3.45Å; P72-S375 WeakPolarHBondContact CD-O 3.24Å; P72-Y377 VanDerWaalsContact CG-O 3.27Å; P72-Y377 WeakPolarHBondContact CG-O 3.32Å; P72-I378 HydrophobicContact CB-CD1 4.37Å; P72-I378 HydrophobicContact CB-CG1 3.99Å; P72-I378 HydrophobicContact CG-CG1 3.69Å
73E97.5Very high97.2Very high3 Ų343.6 Ų43.61%0.01423%0.23CC..  trans-79.8-42.6-164-170.9156.815800113.8G71 R121 L123 R193 S359 E360 S372 F373G71-E73 PolarHBondContact O-N 3.19Å; E73-R121 IonicContact OE2-CZ 3.05Å; E73-R121 IonicContact OE2-NE 3.78Å; E73-R121 IonicContact OE2-NH2 3.75Å; E73-R121 PolarHBondContact OE2-NH2 3.03Å; E73-L123 HydrophobicContact CG-CD2 4.43Å; E73-L123 WeakPolarHBondContact OE1-CD2 3.31Å; E73-L123 WeakPolarHBondContact OE2-CD2 3.41Å; E73-R193 IonicContact OE2-NH2 3.26Å; E73-S359 WeakPolarHBondContact CA-OG 3.49Å; E73-S359 WeakPolarHBondContact CG-OG 3.24Å; E73-S359 PolarHBondContact O-OG 2.92Å; E73-E360 WeakPolarHBondContact O-CB 3.27Å; E73-S372 PolarHBondContact N-O 3.3Å; E73-F373 VanDerWaalsContact CD-CB 3.48Å; E73-F373 HydrophobicContact CG-CB 4Å; E73-F373 WeakPolarHBondContact OE2-CA 3.45Å; E73-F373 WeakPolarHBondContact OE2-CB 3.16Å
74S98.4Very high97.3Very high2 Ų239.9 Ų39.91%0.01422%0.216CC..  trans-126.6144.4177.1176.80000110.4T84 L123 I125 R279 E360S74-T84 WeakPolarHBondContact O-CA 3.18Å; S74-T84 WeakPolarHBondContact O-CB 3.27Å; S74-T84 PolarHBondContact O-OG1 3.03Å; S74-L123 WeakPolarHBondContact CB-O 3.27Å; S74-I125 WeakPolarHBondContact OG-CG2 3.43Å; S74-I125 PolarHBondContact OG-N 2.75Å; S74-I125 VanDerWaalsContact OG-N 3.1Å; S74-R279 PolarHBondContact OG-NH2 2.8Å; S74-E360 VanDerWaalsContact CA-OE2 3.23Å; S74-E360 WeakPolarHBondContact CA-OE2 2.99Å; S74-E360 WeakPolarHBondContact CB-OE2 3.21Å; S74-E360 PolarHBondContact OG-OE2 3.39Å
75I98.4Very high97.3Very high2 Ų237.7 Ų37.71%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-130.4136.6-171.9-56.5167.4000108F82 F83 E360 H362 I378I75-F82 HydrophobicContact CG2-CD1 3.69Å; I75-F82 HydrophobicContact CG2-CE1 4.43Å; I75-F83 WeakPolarHBondContact CA-O 3.48Å; I75-E360 WeakPolarHBondContact CA-OE1 3.02Å; I75-E360 WeakPolarHBondContact CB-OE1 3.29Å; I75-E360 PolarHBondContact N-OE1 2.73Å; I75-E360 PolarHBondContact N-OE2 3.02Å; I75-H362 HydrophobicContact CB-CB 4.25Å; I75-I378 HydrophobicContact CD1-CB 4.42Å; I75-I378 HydrophobicContact CD1-CD1 3.93Å; I75-I378 HydrophobicContact CD1-CG1 3.93Å; I75-I378 HydrophobicContact CD1-CG2 3.66Å; I75-I378 HydrophobicContact CG1-CD1 4.2Å
76V98.3Very high97.3Very high12 Ų1236.5 Ų36.57%0.07320%0.201CC..EExtended strand (participates in β ladder)trans-138.8158.8167.171.40000109.7F82 F83 I125 A127 L133V76-F82 CarbonylContact O-C 3.55Å; V76-F82 VanDerWaalsContact O-CA 3.3Å; V76-F82 WeakPolarHBondContact O-CA 3.31Å; V76-F83 HydrophobicContact CG1-CB 4.05Å; V76-F83 HydrophobicContact CG1-CD2 4.41Å; V76-F83 PolarHBondContact N-O 3.38Å; V76-F83 PolarHBondContact O-N 2.89Å; V76-I125 HydrophobicContact CB-CG2 4.19Å; V76-I125 HydrophobicContact CG1-CB 4.42Å; V76-I125 HydrophobicContact CG1-CD1 4.04Å; V76-I125 HydrophobicContact CG1-CG1 3.75Å; V76-I125 HydrophobicContact CG1-CG2 3.94Å; V76-A127 HydrophobicContact CG2-CB 3.79Å; V76-L133 HydrophobicContact CG1-CD2 3.8Å
77N97.7Very high97.2Very high29 Ų2933.7 Ų33.716%0.15519%0.193CC..EExtended strand (participates in β ladder)trans-127.6153.2175.175.3-69.6000112.6G79 V81 F82 H362 H364N77-G79 PolarHBondContact ND2-O 3.24Å; N77-V81 CarbonylContact C-O 3.52Å; N77-V81 WeakPolarHBondContact CA-O 3.42Å; N77-V81 WeakPolarHBondContact CB-O 3.2Å; N77-F82 HydrophobicContact CB-CD1 3.69Å; N77-F82 HydrophobicContact CB-CD2 4.39Å; N77-F82 HydrophobicContact CB-CE1 3.71Å; N77-F82 HydrophobicContact CB-CE2 4.39Å; N77-F82 HydrophobicContact CB-CG 4.05Å; N77-F82 HydrophobicContact CB-CZ 4.07Å; N77-H362 PolarHBondContact OD1-CE1 3.22Å; N77-H362 PolarHBondContact OD1-NE2 2.73Å; N77-H364 PolarHBondContact ND2-CE1 2.85Å; N77-H364 PolarHBondContact ND2-ND1 3.44Å; N77-H364 VanDerWaalsContact ND2-ND1 3.13Å; N77-H364 PolarHBondContact ND2-NE2 3.43Å
78M96.4Very high97.2Very high52 Ų5228.3 Ų28.326%0.25617%0.165SC..EExtended strand (participates in β ladder)trans-128.2106.9165.3-66.9178.7-179.600107.6D80 V81 F83 A127 T132 L133 P147M78-D80 PolarHBondContact O-N 3.15Å; M78-V81 PolarHBondContact N-O 2.97Å; M78-V81 PolarHBondContact O-N 3.27Å; M78-F83 HydrophobicContact CB-CE2 4.23Å; M78-F83 HydrophobicContact CG-CE2 4.21Å; M78-F83 HydrophobicContact SD-CE2 4.27Å; M78-A127 HydrophobicContact CE-CB 3.66Å; M78-A127 HydrophobicContact CG-CB 4.31Å; M78-T132 WeakPolarHBondContact CE-O 3.39Å; M78-L133 HydrophobicContact CE-CD2 3.62Å; M78-L133 HydrophobicContact CE-CG 4.12Å; M78-P147 HydrophobicContact CE-CG 4.33Å; M78-P147 HydrophobicContact SD-CG 4.02Å
79G94.3Very high97.2Very high52 Ų5222.5 Ų22.554%0.53614%0.137SC..THydrogen-bonded Turntrans58.4-133.8-163.300000110.4N77 V81 H364N77-G79 PolarHBondContact ND2-O 3.24Å; G79-V81 VanDerWaalsContact C-N 3.31Å; G79-V81 PolarHBondContact O-N 2.81Å; G79-H364 PolarHBondContact O-NE2 2.86Å
80D94.6Very high97.2Very high119 Ų11925.6 Ų25.664%0.63615%0.151SC*.THydrogen-bonded Turntrans-86.85.1179.4-61.1-52.5000114.3M78 H365M78-D80 PolarHBondContact O-N 3.15Å; D80-H365 IonicContact OD1-CE1 3.76Å; D80-H365 IonicContact OD1-ND1 3.89Å
81V97.3Very high97.3Very high36 Ų3621.6 Ų21.622%0.21813%0.13CC..EExtended strand (participates in β ladder)trans-97127.3178.9-178.70000109.8N77 M78 G79 F83 K93 I95N77-V81 CarbonylContact C-O 3.52Å; N77-V81 WeakPolarHBondContact CA-O 3.42Å; N77-V81 WeakPolarHBondContact CB-O 3.2Å; M78-V81 PolarHBondContact N-O 2.97Å; M78-V81 PolarHBondContact O-N 3.27Å; G79-V81 VanDerWaalsContact C-N 3.31Å; G79-V81 PolarHBondContact O-N 2.81Å; V81-F83 HydrophobicContact CB-CE2 4.38Å; V81-F83 HydrophobicContact CG1-CE1 4.34Å; V81-F83 HydrophobicContact CG1-CE2 3.85Å; V81-F83 HydrophobicContact CG1-CZ 3.7Å; V81-K93 HydrophobicContact CG1-CD 4.33Å; V81-K93 HydrophobicContact CG1-CG 3.67Å; V81-I95 HydrophobicContact CG1-CG1 4.05Å; V81-I95 HydrophobicContact CG2-CG1 4.32Å
82F98.4Very high97.4Very high20 Ų2022 Ų229%0.08813%0.131CC..EExtended strand (participates in β ladder)trans-104.5152.9179.8-69-101.5000111.6I75 V76 N77 L94 H364 Y369I75-F82 HydrophobicContact CG2-CD1 3.69Å; I75-F82 HydrophobicContact CG2-CE1 4.43Å; V76-F82 CarbonylContact O-C 3.55Å; V76-F82 VanDerWaalsContact O-CA 3.3Å; V76-F82 WeakPolarHBondContact O-CA 3.31Å; N77-F82 HydrophobicContact CB-CD1 3.69Å; N77-F82 HydrophobicContact CB-CD2 4.39Å; N77-F82 HydrophobicContact CB-CE1 3.71Å; N77-F82 HydrophobicContact CB-CE2 4.39Å; N77-F82 HydrophobicContact CB-CG 4.05Å; N77-F82 HydrophobicContact CB-CZ 4.07Å; F82-L94 HydrophobicContact CB-CB 4.04Å; F82-L94 HydrophobicContact CB-CD1 4.23Å; F82-L94 PolarHBondContact N-O 3.2Å; F82-L94 PolarHBondContact O-N 2.59Å; F82-H364 HydrophobicContact CE1-CB 4.46Å; F82-H364 HydrophobicContact CZ-CB 4.32Å; F82-H364 AromaticContact CZ-CD2 3.68Å; F82-Y369 HydrophobicContact CD1-CD1 4.43Å; F82-Y369 AromaticContact CE1-CD1 3.86Å; F82-Y369 HydrophobicContact CE1-CD1 3.86Å; F82-Y369 AromaticContact CE1-CD2 3.79Å; F82-Y369 HydrophobicContact CE1-CD2 3.79Å; F82-Y369 AromaticContact CE1-CE1 3.88Å; F82-Y369 HydrophobicContact CE1-CE1 3.88Å; F82-Y369 AromaticContact CE1-CE2 3.82Å; F82-Y369 HydrophobicContact CE1-CE2 3.82Å; F82-Y369 AromaticContact CE1-CG 3.82Å; F82-Y369 HydrophobicContact CE1-CG 3.82Å; F82-Y369 AromaticContact CE1-CZ 3.86Å; F82-Y369 HydrophobicContact CE2-CE1 4.14Å; F82-Y369 HydrophobicContact CZ-CD1 4.08Å; F82-Y369 HydrophobicContact CZ-CD2 4.04Å; F82-Y369 AromaticContact CZ-CE1 3.6Å; F82-Y369 HydrophobicContact CZ-CE1 3.6Å; F82-Y369 AromaticContact CZ-CE2 3.57Å; F82-Y369 HydrophobicContact CZ-CE2 3.57Å; F82-Y369 HydrophobicContact CZ-CG 4.29Å; F82-Y369 AromaticContact CZ-CZ 3.32Å
83F98.7Very high97.5Very high4 Ų424.3 Ų24.32%0.01814%0.141CC..EExtended strand (participates in β ladder)trans-132.3143.2177-55.9-92.9000110.2I75 V76 M78 V81 L92 K93 L102 I125 L133 P147I75-F83 WeakPolarHBondContact CA-O 3.48Å; V76-F83 HydrophobicContact CG1-CB 4.05Å; V76-F83 HydrophobicContact CG1-CD2 4.41Å; V76-F83 PolarHBondContact N-O 3.38Å; V76-F83 PolarHBondContact O-N 2.89Å; M78-F83 HydrophobicContact CB-CE2 4.23Å; M78-F83 HydrophobicContact CG-CE2 4.21Å; M78-F83 HydrophobicContact SD-CE2 4.27Å; V81-F83 HydrophobicContact CB-CE2 4.38Å; V81-F83 HydrophobicContact CG1-CE1 4.34Å; V81-F83 HydrophobicContact CG1-CE2 3.85Å; V81-F83 HydrophobicContact CG1-CZ 3.7Å; F83-L92 WeakPolarHBondContact CA-O 3.44Å; F83-K93 HydrophobicContact CD1-CB 3.95Å; F83-K93 HydrophobicContact CD1-CG 4.09Å; F83-K93 HydrophobicContact CE1-CB 3.81Å; F83-K93 HydrophobicContact CE1-CD 3.81Å; F83-K93 HydrophobicContact CE1-CG 3.53Å; F83-K93 HydrophobicContact CZ-CD 4.31Å; F83-K93 HydrophobicContact CZ-CG 4.12Å; F83-L102 HydrophobicContact CD1-CD2 4.12Å; F83-L102 HydrophobicContact CE1-CD2 4.12Å; F83-I125 HydrophobicContact CB-CD1 3.78Å; F83-L133 HydrophobicContact CB-CD1 4.15Å; F83-L133 HydrophobicContact CB-CD2 4.45Å; F83-L133 HydrophobicContact CD1-CD1 3.56Å; F83-L133 HydrophobicContact CD2-CD1 4.3Å; F83-L133 HydrophobicContact CD2-CD2 4.14Å; F83-L133 HydrophobicContact CE1-CD1 3.94Å; F83-L133 HydrophobicContact CG-CD1 3.75Å; F83-L133 HydrophobicContact CG-CD2 4.24Å; F83-L133 HydrophobicContact CZ-CD1 4.48Å; F83-P147 HydrophobicContact CE1-CB 3.58Å; F83-P147 HydrophobicContact CE2-CB 4.45Å; F83-P147 HydrophobicContact CZ-CB 3.52Å
84T98.8Very high97.5Very high0 Ų024.2 Ų24.20%014%0.141CC..EExtended strand (participates in β ladder)trans-153.7152.9178.7-1690000111.8P72 S74 L92 L94P72-T84 WeakPolarHBondContact CA-OG1 3.33Å; P72-T84 HydrophobicContact CB-CG2 3.87Å; P72-T84 VanDerWaalsContact CB-OG1 3.29Å; P72-T84 WeakPolarHBondContact CB-OG1 3.28Å; S74-T84 WeakPolarHBondContact O-CA 3.18Å; S74-T84 WeakPolarHBondContact O-CB 3.27Å; S74-T84 PolarHBondContact O-OG1 3.03Å; T84-L92 HydrophobicContact CG2-CB 4.21Å; T84-L92 PolarHBondContact N-O 2.56Å; T84-L92 VanDerWaalsContact N-O 3.1Å; T84-L92 PolarHBondContact O-N 3.26Å; T84-L94 HydrophobicContact CG2-CD1 4.02Å
85G98.2Very high97.4Very high4 Ų427.7 Ų27.74%0.04116%0.159CC..EExtended strand (participates in β ladder)trans-90.7153.1171.400000112.4P72 K90P72-G85 WeakPolarHBondContact CA-O 3.39Å; G85-K90 CarbonylContact C-O 3.56Å; G85-K90 WeakPolarHBondContact CA-O 3.26Å
86T97.5Very high97.2Very high2 Ų230.6 Ų30.61%0.01219%0.189CC..  trans-132.8164.2-178.243.90000113.2L70 D88 G89 K90 L92 P122L70-T86 CarbonylContact O-C 3.52Å; L70-T86 VanDerWaalsContact O-CA 3.28Å; L70-T86 WeakPolarHBondContact O-CA 3.49Å; L70-T86 WeakPolarHBondContact O-CB 3.29Å; T86-D88 WeakPolarHBondContact CB-OD1 3.31Å; T86-D88 PolarHBondContact O-N 2.66Å; T86-D88 VanDerWaalsContact O-N 3.16Å; T86-D88 PolarHBondContact OG1-OD1 3.1Å; T86-G89 PolarHBondContact O-N 2.76Å; T86-G89 VanDerWaalsContact O-N 3.11Å; T86-K90 PolarHBondContact N-O 2.87Å; T86-K90 WeakPolarHBondContact OG1-CB 3.48Å; T86-K90 PolarHBondContact OG1-O 2.75Å; T86-L92 HydrophobicContact CG2-CD1 3.51Å; T86-L92 HydrophobicContact CG2-CG 4.11Å; T86-P122 VanDerWaalsContact O-CD 3.27Å; T86-P122 WeakPolarHBondContact O-CD 3.41Å
87A96.2Very high97Very high31 Ų3141.3 Ų41.326%0.25623%0.228SC..THydrogen-bonded Turntrans-68.2-14.5-168.700000114.2L70L70-A87 HydrophobicContact CB-CB 4.12Å; L70-A87 PolarHBondContact O-N 3.26Å
88D95.8Very high96.9Very high15 Ų1548.1 Ų48.18%0.0825%0.251CS..THydrogen-bonded Turntrans-10021.6176.264.3-18.7000112.7L70 T86 K90 C110L70-D88 HydrophobicContact CD1-CB 4.18Å; T86-D88 WeakPolarHBondContact CB-OD1 3.31Å; T86-D88 PolarHBondContact O-N 2.66Å; T86-D88 VanDerWaalsContact O-N 3.16Å; T86-D88 PolarHBondContact OG1-OD1 3.1Å; D88-K90 VanDerWaalsContact C-N 3.32Å; D88-K90 PolarHBondContact O-N 2.7Å; D88-K90 WeakPolarHBondContact OD2-CD 3.39Å; D88-K90 WeakPolarHBondContact OD2-CE 3.33Å; D88-K90 IonicContact OD2-NZ 2.66Å; D88-K90 PolarHBondContact OD2-NZ 3.43Å; D88-C110 HydrophobicContact CB-CB 3.81Å
89G96.9Very high97Very high0 Ų048 Ų480%025%0.251CS..SBendtrans80.4817200000115.4T86 L105 C119 G120T86-G89 PolarHBondContact O-N 2.76Å; T86-G89 VanDerWaalsContact O-N 3.11Å; G89-L105 PolarHBondContact O-N 2.69Å; G89-C119 VanDerWaalsContact CA-O 3.27Å; G89-C119 WeakPolarHBondContact CA-O 3.42Å; G89-G120 WeakPolarHBondContact CA-O 3.46Å; G89-G120 PolarHBondContact N-O 2.85Å
90K97.8Very high97.2Very high68 Ų6847.5 Ų47.530%0.29624%0.238SC..EExtended strand (participates in β ladder)trans-92.1147.3-177.6-60.8170.3-176.1152.20112.2G85 T86 D88 L92 T101 A103 T104G85-K90 CarbonylContact C-O 3.56Å; G85-K90 WeakPolarHBondContact CA-O 3.26Å; T86-K90 PolarHBondContact N-O 2.87Å; T86-K90 WeakPolarHBondContact OG1-CB 3.48Å; T86-K90 PolarHBondContact OG1-O 2.75Å; D88-K90 VanDerWaalsContact C-N 3.32Å; D88-K90 PolarHBondContact O-N 2.7Å; D88-K90 WeakPolarHBondContact OD2-CD 3.39Å; D88-K90 WeakPolarHBondContact OD2-CE 3.33Å; D88-K90 IonicContact OD2-NZ 2.66Å; D88-K90 PolarHBondContact OD2-NZ 3.43Å; K90-L92 HydrophobicContact CB-CD2 4.03Å; K90-L92 HydrophobicContact CD-CD2 4.49Å; K90-T101 HydrophobicContact CB-CG2 4.31Å; K90-T101 HydrophobicContact CD-CG2 4.1Å; K90-T101 HydrophobicContact CG-CG2 4.18Å; K90-A103 WeakPolarHBondContact CA-O 3.3Å; K90-T104 HydrophobicContact CG-CG2 4.32Å
91I98.5Very high97.3Very high1 Ų145.4 Ų45.41%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-103.2122.7164.3-59.3163.1000107L102 A103 L105 I125 V135 V145I91-L102 HydrophobicContact CG2-CB 4.44Å; I91-L102 HydrophobicContact CG2-CD2 4.11Å; I91-L102 WeakPolarHBondContact O-CB 3.23Å; I91-L102 PolarHBondContact O-N 2.97Å; I91-A103 HydrophobicContact CD1-CB 4.41Å; I91-A103 PolarHBondContact N-O 2.85Å; I91-A103 PolarHBondContact O-N 2.96Å; I91-L105 HydrophobicContact CD1-CD1 4.36Å; I91-L105 HydrophobicContact CD1-CD2 3.82Å; I91-L105 HydrophobicContact CD1-CG 4.16Å; I91-I125 HydrophobicContact CG2-CD1 4.4Å; I91-V135 HydrophobicContact CD1-CB 4.38Å; I91-V135 HydrophobicContact CD1-CG1 4.19Å; I91-V135 HydrophobicContact CD1-CG2 3.84Å; I91-V135 HydrophobicContact CG1-CG1 4.46Å; I91-V145 HydrophobicContact CD1-CB 4.43Å; I91-V145 HydrophobicContact CD1-CG1 4.35Å; I91-V145 HydrophobicContact CD1-CG2 3.65Å
92L98.6Very high97.4Very high10 Ų1044.9 Ų44.95%0.05223%0.226CC..EExtended strand (participates in β ladder)trans-106.1142.2-177.3-56.1-177000110.2L69 F83 T84 T86 K90 L94 I99 V100 T101L69-L92 HydrophobicContact CD2-CD1 3.51Å; F83-L92 WeakPolarHBondContact CA-O 3.44Å; T84-L92 HydrophobicContact CG2-CB 4.21Å; T84-L92 PolarHBondContact N-O 2.56Å; T84-L92 VanDerWaalsContact N-O 3.1Å; T84-L92 PolarHBondContact O-N 3.26Å; T86-L92 HydrophobicContact CG2-CD1 3.51Å; T86-L92 HydrophobicContact CG2-CG 4.11Å; K90-L92 HydrophobicContact CB-CD2 4.03Å; K90-L92 HydrophobicContact CD-CD2 4.49Å; L92-L94 HydrophobicContact CB-CD2 4.23Å; L92-I99 HydrophobicContact CB-CG2 4.4Å; L92-I99 HydrophobicContact CD1-CG2 3.98Å; L92-I99 HydrophobicContact CD2-CG2 4.28Å; L92-I99 HydrophobicContact CG-CG2 4.46Å; L92-V100 CarbonylContact C-O 3.6Å; L92-V100 WeakPolarHBondContact CA-O 3.36Å; L92-T101 HydrophobicContact CD2-CG2 4.49Å
93K98.4Very high97.3Very high48 Ų4844.4 Ų44.421%0.20923%0.225CC..EExtended strand (participates in β ladder)trans-108.4122.5169.2-179.8176.9-168.5169.90108.3V81 F83 I95 V100 L102 P147V81-K93 HydrophobicContact CG1-CD 4.33Å; V81-K93 HydrophobicContact CG1-CG 3.67Å; F83-K93 HydrophobicContact CD1-CB 3.95Å; F83-K93 HydrophobicContact CD1-CG 4.09Å; F83-K93 HydrophobicContact CE1-CB 3.81Å; F83-K93 HydrophobicContact CE1-CD 3.81Å; F83-K93 HydrophobicContact CE1-CG 3.53Å; F83-K93 HydrophobicContact CZ-CD 4.31Å; F83-K93 HydrophobicContact CZ-CG 4.12Å; K93-I95 HydrophobicContact CD-CD1 4.3Å; K93-I95 HydrophobicContact CG-CD1 4.3Å; K93-I95 HydrophobicContact CG-CG1 4.17Å; K93-V100 HydrophobicContact CB-CB 4.33Å; K93-V100 PolarHBondContact N-O 3.41Å; K93-V100 PolarHBondContact O-N 3.34Å; K93-L102 HydrophobicContact CB-CB 4.33Å; K93-P147 PolarHBondContact NZ-O 3.34Å
94L98.3Very high97.3Very high1 Ų147.5 Ų47.51%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-112.7113.6-171.2-54.1177.9000108.9Y65 L69 F82 T84 L92 I99 I378Y65-L94 HydrophobicContact CD2-CD1 4.45Å; Y65-L94 HydrophobicContact CE1-CD2 4.45Å; Y65-L94 HydrophobicContact CE2-CB 4.45Å; Y65-L94 HydrophobicContact CE2-CD1 3.88Å; Y65-L94 HydrophobicContact CE2-CD2 4.39Å; Y65-L94 HydrophobicContact CE2-CG 4.48Å; L69-L94 HydrophobicContact CD2-CD2 4.4Å; F82-L94 HydrophobicContact CB-CB 4.04Å; F82-L94 HydrophobicContact CB-CD1 4.23Å; F82-L94 PolarHBondContact N-O 3.2Å; F82-L94 PolarHBondContact O-N 2.59Å; T84-L94 HydrophobicContact CG2-CD1 4.02Å; L92-L94 HydrophobicContact CB-CD2 4.23Å; L94-I99 HydrophobicContact CD2-CB 4.27Å; L94-I99 HydrophobicContact CD2-CG1 3.9Å; L94-I99 HydrophobicContact CD2-CG2 4Å; L94-I378 HydrophobicContact CD1-CD1 3.63Å
95I96.8Very high97.1Very high76 Ų7648.8 Ų48.839%0.3925%0.251SS..EExtended strand (participates in β ladder)trans-121.895.8-176-52.4171.2000108.3V81 K93 R97 R98V81-I95 HydrophobicContact CG1-CG1 4.05Å; V81-I95 HydrophobicContact CG2-CG1 4.32Å; K93-I95 HydrophobicContact CD-CD1 4.3Å; K93-I95 HydrophobicContact CG-CD1 4.3Å; K93-I95 HydrophobicContact CG-CG1 4.17Å; I95-R97 PolarHBondContact O-N 3.22Å; I95-R98 PolarHBondContact N-O 2.78Å; I95-R98 WeakPolarHBondContact O-CB 3.5Å; I95-R98 PolarHBondContact O-N 2.91Å
96G93.8Very high96.8Very high62 Ų6249.3 Ų49.364%0.63926%0.257SS*.THydrogen-bonded Turntrans64.2-99.6-176.600000112.2Y65Y65-G96 PolarHBondContact OH-O 3.18Å
97R93.3Very high96.5Very high237 Ų23758.6 Ų58.689%0.89429%0.292SS*.THydrogen-bonded Turntrans-107.7-4.9174-68.4-175176173.7-1.3113.4I95I95-R97 PolarHBondContact O-N 3.22Å
98R96.8Very high96.1Very high172 Ų17262.3 Ų62.365%0.64931%0.313SS*.EExtended strand (participates in β ladder)trans-90.8129.6-175.7-176.3179.1169.2178-4110.1I95 V100I95-R98 PolarHBondContact N-O 2.78Å; I95-R98 WeakPolarHBondContact O-CB 3.5Å; I95-R98 PolarHBondContact O-N 2.91Å; R98-V100 HydrophobicContact CG-CG2 4.05Å
99I98.1Very high95.8Very high49 Ų4966.3 Ų66.325%0.25134%0.34SS..EExtended strand (participates in β ladder)trans-101128.6171.1-55.2170.1000107.8Y65 Q68 L69 L92 L94Y65-I99 HydrophobicContact CD1-CD1 3.71Å; Y65-I99 HydrophobicContact CD1-CG1 3.64Å; Y65-I99 HydrophobicContact CE1-CD1 4.45Å; Y65-I99 HydrophobicContact CE1-CG1 3.88Å; Y65-I99 HydrophobicContact CG-CD1 4.22Å; Y65-I99 HydrophobicContact CG-CG1 4.44Å; Q68-I99 HydrophobicContact CB-CD1 3.71Å; L69-I99 HydrophobicContact CD2-CD1 3.92Å; L92-I99 HydrophobicContact CB-CG2 4.4Å; L92-I99 HydrophobicContact CD1-CG2 3.98Å; L92-I99 HydrophobicContact CD2-CG2 4.28Å; L92-I99 HydrophobicContact CG-CG2 4.46Å; L94-I99 HydrophobicContact CD2-CB 4.27Å; L94-I99 HydrophobicContact CD2-CG1 3.9Å; L94-I99 HydrophobicContact CD2-CG2 4Å
100V98.2Very high95.5Very high42 Ų4268.6 Ų68.626%0.25536%0.356SS..EExtended strand (participates in β ladder)trans-123.9124.4174.5-179.60000108.1L92 K93 R98 L102L92-V100 CarbonylContact C-O 3.6Å; L92-V100 WeakPolarHBondContact CA-O 3.36Å; K93-V100 HydrophobicContact CB-CB 4.33Å; K93-V100 PolarHBondContact N-O 3.41Å; K93-V100 PolarHBondContact O-N 3.34Å; R98-V100 HydrophobicContact CG-CG2 4.05Å; V100-L102 PolarHBondContact O-N 3.48Å; V100-L102 VanDerWaalsContact O-N 3.16Å
101T98Very high94.4Very high75 Ų7568.3 Ų68.346%0.4637%0.371SS..EExtended strand (participates in β ladder)trans-68.9111.7168-54.50000108.3K90 L92K90-T101 HydrophobicContact CB-CG2 4.31Å; K90-T101 HydrophobicContact CD-CG2 4.1Å; K90-T101 HydrophobicContact CG-CG2 4.18Å; L92-T101 HydrophobicContact CD2-CG2 4.49Å
102L98Very high94Very high26 Ų2670.7 Ų70.714%0.13639%0.392CS..EExtended strand (participates in β ladder)trans-79.7-45.4178.6179.966.6000110.4F83 I91 K93 V100 L133 V145 P147 G150F83-L102 HydrophobicContact CD1-CD2 4.12Å; F83-L102 HydrophobicContact CE1-CD2 4.12Å; I91-L102 HydrophobicContact CG2-CB 4.44Å; I91-L102 HydrophobicContact CG2-CD2 4.11Å; I91-L102 WeakPolarHBondContact O-CB 3.23Å; I91-L102 PolarHBondContact O-N 2.97Å; K93-L102 HydrophobicContact CB-CB 4.33Å; V100-L102 PolarHBondContact O-N 3.48Å; V100-L102 VanDerWaalsContact O-N 3.16Å; L102-L133 HydrophobicContact CD2-CD1 3.98Å; L102-V145 HydrophobicContact CD2-CG1 3.89Å; L102-V145 HydrophobicContact CG-CG1 4.38Å; L102-P147 HydrophobicContact CD2-CB 4.46Å; L102-G150 WeakPolarHBondContact O-CA 3.42Å
103A97.7Very high93.6Very high10 Ų1073.2 Ų73.28%0.08340%0.4CS..EExtended strand (participates in β ladder)trans-155.4161.4179.400000111.6K90 I91 V152K90-A103 WeakPolarHBondContact CA-O 3.3Å; I91-A103 HydrophobicContact CD1-CB 4.41Å; I91-A103 PolarHBondContact N-O 2.85Å; I91-A103 PolarHBondContact O-N 2.96Å; A103-V152 HydrophobicContact CB-CG2 3.44Å; A103-V152 VanDerWaalsContact CB-CG2 3.44Å
104T96.8Very high93.3Very high69 Ų6975.8 Ų75.842%0.42341%0.413SS..EExtended strand (participates in β ladder)trans-125.2121.9169.5-53.70000107.5K90K90-T104 HydrophobicContact CG-CG2 4.32Å
105L95.9Very high93.1Very high26 Ų2677.8 Ų77.814%0.13642%0.424CS..  trans-79-42.4-172.9-62.2-175.2000112.9G89 I91 P122 V135 D137 L140 F143 V152G89-L105 PolarHBondContact O-N 2.69Å; I91-L105 HydrophobicContact CD1-CD1 4.36Å; I91-L105 HydrophobicContact CD1-CD2 3.82Å; I91-L105 HydrophobicContact CD1-CG 4.16Å; L105-P122 HydrophobicContact CD1-CB 4.43Å; L105-P122 HydrophobicContact CD1-CG 3.93Å; L105-V135 HydrophobicContact CD1-CG1 4.34Å; L105-D137 HydrophobicContact CD1-CB 3.93Å; L105-L140 HydrophobicContact CB-CD1 3.94Å; L105-F143 HydrophobicContact CD1-CD2 3.85Å; L105-F143 HydrophobicContact CD1-CE2 3.89Å; L105-F143 HydrophobicContact CD1-CG 4.38Å; L105-F143 HydrophobicContact CD1-CZ 4.42Å; L105-F143 HydrophobicContact CD2-CD1 4.03Å; L105-F143 HydrophobicContact CD2-CD2 4.34Å; L105-F143 HydrophobicContact CD2-CE1 4.25Å; L105-F143 HydrophobicContact CD2-CG 4.07Å; L105-V152 HydrophobicContact CD2-CG1 3.71Å; L105-V152 HydrophobicContact CD2-CG2 4.29Å
106G92.1Very high93Very high16 Ų1675 Ų7517%0.16541%0.409CS..SBendtrans-103-158.1-178.700000114.3T118 C119G106-T118 VanDerWaalsContact CA-O 3.31Å; G106-T118 WeakPolarHBondContact CA-O 3.03Å; G106-C119 WeakPolarHBondContact CA-O 3.4Å; G106-C119 PolarHBondContact N-O 2.83Å
107R90.4Very high93.1Very high197 Ų19773.8 Ų73.874%0.74339%0.39SS*.  trans-123.8142.6-174.9-60.3179.6-173.7177.11.5111.3T118 C119R107-T118 HydrophobicContact CB-CG2 4.4Å; R107-T118 PolarHBondContact N-O 2.91Å; R107-T118 VanDerWaalsContact N-O 3.09Å; R107-C119 PolarHBondContact O-SG 2.81Å
108P87.9Confident93.2Very high108 Ų10866.4 Ų66.470%0.70137%0.371SS*.SBendtrans-67161.4174.729.6-35.3000112.2
109P89.7Confident93.2Very high99 Ų9958.3 Ų58.364%0.64334%0.341SS*.SBendcis-71.6142.83.930.8-35.6000112.7D115 C119P109-D115 WeakPolarHBondContact O-CB 3.23Å; P109-C119 PolarHBondContact O-SG 2.83Å
110C90.2Very high93.1Very high49 Ų4956 Ų5633%0.33133%0.329SS..  trans-129.7148.3178.7-59.50000111.1D88 C119D88-C110 HydrophobicContact CB-CB 3.81Å; C110-C119 WeakPolarHBondContact CA-SG 3.26Å; C110-C119 HydrophobicContact CB-CB 3.89Å; C110-C119 WeakPolarHBondContact CB-SG 3.43Å; C110-C119 WeakPolarHBondContact SG-CB 3.35Å; C110-C119 CovalentContact SG-SG 2.03Å; C110-C119 PolarHBondContact SG-SG 3.23Å
111G75.6Confident93.1Very high61 Ų6154 Ų5463%0.62932%0.317SS*.SBendtrans132.5-18.917400000114.4
112A88.8Confident93.1Very high52 Ų5250.6 Ų50.643%0.4330%0.296SS..SBendtrans-96.9154.1169.700000111.6E114 D115A112-E114 PolarHBondContact O-N 2.85Å; A112-D115 VanDerWaalsContact CB-OD2 3.29Å; A112-D115 WeakPolarHBondContact CB-OD2 3.15Å; A112-D115 PolarHBondContact N-OD2 3.33Å; A112-D115 VanDerWaalsContact N-OD2 3.09Å; A112-D115 WeakPolarHBondContact O-CB 3.36Å; A112-D115 PolarHBondContact O-N 2.86Å
113R90.3Very high93.2Very high63 Ų6349.3 Ų49.324%0.23829%0.289CS..G310 helixtrans-54.8-32.9175175.1175.2167.2-123.48.2113.2D115 E116 R194 D195 D322R113-D115 VanDerWaalsContact C-N 3.29Å; R113-E116 WeakPolarHBondContact O-CG 2.98Å; R113-E116 PolarHBondContact O-N 3.42Å; R113-R194 HydrophobicContact CG-CB 3.82Å; R113-R194 PolarHBondContact NE-O 3.17Å; R113-R194 VanDerWaalsContact NE-O 3.11Å; R113-R194 PolarHBondContact NH2-O 2.78Å; R113-D195 IonicContact NH2-OD1 3.99Å; R113-D322 IonicContact CZ-OD1 3.27Å; R113-D322 IonicContact NH1-OD1 3.97Å; R113-D322 PolarHBondContact NH1-OD1 3.25Å; R113-D322 IonicContact NH1-OD2 3.87Å; R113-D322 PolarHBondContact NH1-OD2 3.45Å; R113-D322 IonicContact NH2-OD1 3.92Å
114E92.6Very high93.2Very high101 Ų10148.9 Ų48.947%0.47229%0.286SS..G310 helixtrans-80.1-13.6-179.2-51-47.7159.800114A112 P117 R194A112-E114 PolarHBondContact O-N 2.85Å; E114-P117 WeakPolarHBondContact O-CD 3.16Å; E114-R194 WeakPolarHBondContact OE2-CD 3.46Å; E114-R194 IonicContact OE2-CZ 2.95Å; E114-R194 IonicContact OE2-NE 2.7Å; E114-R194 IonicContact OE2-NH1 2.98Å; E114-R194 PolarHBondContact OE2-NH1 3.01Å
115D94.4Very high93.3Very high43 Ų4345.8 Ų45.823%0.2327%0.266CS..G310 helixtrans-84.4-17.4175.2-54.4-36.7000111.6P109 A112 R113 P117 T118 C119P109-D115 WeakPolarHBondContact O-CB 3.23Å; A112-D115 VanDerWaalsContact CB-OD2 3.29Å; A112-D115 WeakPolarHBondContact CB-OD2 3.15Å; A112-D115 PolarHBondContact N-OD2 3.33Å; A112-D115 VanDerWaalsContact N-OD2 3.09Å; A112-D115 WeakPolarHBondContact O-CB 3.36Å; A112-D115 PolarHBondContact O-N 2.86Å; R113-D115 VanDerWaalsContact C-N 3.29Å; D115-P117 VanDerWaalsContact C-CD 3.42Å; D115-P117 VanDerWaalsContact C-N 3.32Å; D115-P117 VanDerWaalsContact O-N 3.17Å; D115-T118 PolarHBondContact O-N 3.28Å; D115-C119 PolarHBondContact O-N 2.93Å
116E95.4Very high93.4Very high19 Ų1945.6 Ų45.69%0.08926%0.264CS..Hα-helixtrans-49.9-42.1-176.6-68-176.1-175.300113.5R113 T118 C119 G120 Y139R113-E116 WeakPolarHBondContact O-CG 2.98Å; R113-E116 PolarHBondContact O-N 3.42Å; E116-T118 PolarHBondContact O-N 2.91Å; E116-T118 VanDerWaalsContact O-N 3.16Å; E116-C119 PolarHBondContact O-N 2.84Å; E116-G120 WeakPolarHBondContact O-CA 3.25Å; E116-G120 PolarHBondContact O-N 3.13Å; E116-Y139 HydrophobicContact CB-CD2 4.16Å; E116-Y139 HydrophobicContact CB-CE2 3.42Å; E116-Y139 VanDerWaalsContact CB-CE2 3.42Å; E116-Y139 HydrophobicContact CG-CE2 4.35Å; E116-Y139 WeakPolarHBondContact O-CD2 3.09Å; E116-Y139 WeakPolarHBondContact OE2-CE2 3.43Å; E116-Y139 PolarHBondContact OE2-OH 3.11Å
117P96Very high93.7Very high35 Ų3546.6 Ų46.623%0.22727%0.271CS..Hα-helixtrans-60.7-24.6176.8-23.133.6000115.4E114 D115 Y139E114-P117 WeakPolarHBondContact O-CD 3.16Å; D115-P117 VanDerWaalsContact C-CD 3.42Å; D115-P117 VanDerWaalsContact C-N 3.32Å; D115-P117 VanDerWaalsContact O-N 3.17Å; P117-Y139 HydrophobicContact CB-CD1 3.88Å; P117-Y139 HydrophobicContact CB-CE1 4.16Å; P117-Y139 HydrophobicContact CG-CD1 3.96Å; P117-Y139 HydrophobicContact CG-CE1 3.69Å
118T95.4Very high93.9Very high83 Ų8338 Ų3851%0.50924%0.243SC..Hα-helixtrans-99.3-35.7-179.9-55.40000111.9G106 R107 D115 E116G106-T118 VanDerWaalsContact CA-O 3.31Å; G106-T118 WeakPolarHBondContact CA-O 3.03Å; R107-T118 HydrophobicContact CB-CG2 4.4Å; R107-T118 PolarHBondContact N-O 2.91Å; R107-T118 VanDerWaalsContact N-O 3.09Å; D115-T118 PolarHBondContact O-N 3.28Å; E116-T118 PolarHBondContact O-N 2.91Å; E116-T118 VanDerWaalsContact O-N 3.16Å
119C95.4Very high94Very high1 Ų134.6 Ų34.61%0.00722%0.221CC..Hα-helixtrans-80.7-29179.8-71.20000113.5G89 G106 R107 P109 C110 D115 E116G89-C119 VanDerWaalsContact CA-O 3.27Å; G89-C119 WeakPolarHBondContact CA-O 3.42Å; G106-C119 WeakPolarHBondContact CA-O 3.4Å; G106-C119 PolarHBondContact N-O 2.83Å; R107-C119 PolarHBondContact O-SG 2.81Å; P109-C119 PolarHBondContact O-SG 2.83Å; C110-C119 WeakPolarHBondContact CA-SG 3.26Å; C110-C119 HydrophobicContact CB-CB 3.89Å; C110-C119 WeakPolarHBondContact CB-SG 3.43Å; C110-C119 WeakPolarHBondContact SG-CB 3.35Å; C110-C119 CovalentContact SG-SG 2.03Å; C110-C119 PolarHBondContact SG-SG 3.23Å; D115-C119 PolarHBondContact O-N 2.93Å; E116-C119 PolarHBondContact O-N 2.84Å
120G97.3Very high93.9Very high0 Ų037.9 Ų37.90%023%0.234CC..  trans83.7162.9-164.300000112G89 E116 D137G89-G120 WeakPolarHBondContact CA-O 3.46Å; G89-G120 PolarHBondContact N-O 2.85Å; E116-G120 WeakPolarHBondContact O-CA 3.25Å; E116-G120 PolarHBondContact O-N 3.13Å; G120-D137 VanDerWaalsContact C-OD2 3.31Å; G120-D137 WeakPolarHBondContact CA-OD1 3.34Å; G120-D137 WeakPolarHBondContact CA-OD2 3.42Å
121R98Very high93.8Very high2 Ų237.1 Ų37.11%0.00823%0.233CC..  trans-146.793.1174.6178.969.9-179.8128.23.3106.8G71 E73 L123 D137 A138 Y139 R193 F373G71-R121 PolarHBondContact O-NH1 2.9Å; G71-R121 PolarHBondContact O-NH2 2.78Å; E73-R121 IonicContact OE2-CZ 3.05Å; E73-R121 IonicContact OE2-NE 3.78Å; E73-R121 IonicContact OE2-NH2 3.75Å; E73-R121 PolarHBondContact OE2-NH2 3.03Å; R121-L123 HydrophobicContact CG-CD2 3.42Å; R121-L123 VanDerWaalsContact CG-CD2 3.42Å; R121-L123 HydrophobicContact CG-CG 4.18Å; R121-L123 WeakPolarHBondContact O-CG 3.19Å; R121-L123 PolarHBondContact O-N 2.71Å; R121-D137 VanDerWaalsContact N-CG 3.35Å; R121-D137 PolarHBondContact N-OD1 3.01Å; R121-D137 PolarHBondContact N-OD2 2.84Å; R121-A138 HydrophobicContact CB-CB 4.23Å; R121-A138 PolarHBondContact O-N 3.47Å; R121-Y139 HydrophobicContact CB-CD2 4Å; R121-Y139 HydrophobicContact CB-CE2 3.82Å; R121-R193 HydrophobicContact CG-CG 4.47Å; R121-F373 PolarHBondContact NH2-O 3.47Å; R121-F373 VanDerWaalsContact NH2-O 3.11Å
122P98.3Very high94.7Very high2 Ų235.4 Ų35.41%0.01321%0.211CC..EExtended strand (participates in β ladder)trans-73.6115.1178.3-6.621.6000109.6T86 L105 V135 A136T86-P122 VanDerWaalsContact O-CD 3.27Å; T86-P122 WeakPolarHBondContact O-CD 3.41Å; L105-P122 HydrophobicContact CD1-CB 4.43Å; L105-P122 HydrophobicContact CD1-CG 3.93Å; P122-V135 HydrophobicContact CB-CG1 3.63Å; P122-A136 WeakPolarHBondContact CA-O 3.37Å
123L98.3Very high95.2Very high0 Ų033 Ų330%019%0.191CC..EExtended strand (participates in β ladder)trans-104.8-30.3-173.8-56.3177.1000112.4E73 S74 R121 A136 A138 F169 N171 R193E73-L123 HydrophobicContact CG-CD2 4.43Å; E73-L123 WeakPolarHBondContact OE1-CD2 3.31Å; E73-L123 WeakPolarHBondContact OE2-CD2 3.41Å; S74-L123 WeakPolarHBondContact CB-O 3.27Å; R121-L123 HydrophobicContact CG-CD2 3.42Å; R121-L123 VanDerWaalsContact CG-CD2 3.42Å; R121-L123 HydrophobicContact CG-CG 4.18Å; R121-L123 WeakPolarHBondContact O-CG 3.19Å; R121-L123 PolarHBondContact O-N 2.71Å; L123-A136 PolarHBondContact N-O 3.36Å; L123-A138 HydrophobicContact CD1-CB 3.55Å; L123-A138 HydrophobicContact CG-CB 4Å; L123-F169 HydrophobicContact CD1-CD2 4.3Å; L123-F169 HydrophobicContact CD1-CE2 3.5Å; L123-F169 HydrophobicContact CD1-CZ 4.4Å; L123-N171 WeakPolarHBondContact CB-O 3.29Å; L123-R193 HydrophobicContact CD1-CG 4.2Å; L123-R193 HydrophobicContact CD2-CG 4.4Å
124G98.5Very high95.6Very high1 Ų130.2 Ų30.21%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-124.8135.6178.900000112.3V135 A136 N171 D172G124-V135 CarbonylContact O-C 3.53Å; G124-V135 WeakPolarHBondContact O-CA 3.41Å; G124-A136 PolarHBondContact N-O 2.81Å; G124-A136 PolarHBondContact O-N 2.94Å; G124-N171 PolarHBondContact N-O 2.91Å; G124-D172 WeakPolarHBondContact CA-OD1 3.08Å
125I98.7Very high95.9Very high3 Ų325.4 Ų25.42%0.01516%0.158CC..EExtended strand (participates in β ladder)trans-134.4139.3173.4-170.5165000111.3S74 V76 F83 I91 L133 F134 V135S74-I125 WeakPolarHBondContact OG-CG2 3.43Å; S74-I125 PolarHBondContact OG-N 2.75Å; S74-I125 VanDerWaalsContact OG-N 3.1Å; V76-I125 HydrophobicContact CB-CG2 4.19Å; V76-I125 HydrophobicContact CG1-CB 4.42Å; V76-I125 HydrophobicContact CG1-CD1 4.04Å; V76-I125 HydrophobicContact CG1-CG1 3.75Å; V76-I125 HydrophobicContact CG1-CG2 3.94Å; F83-I125 HydrophobicContact CB-CD1 3.78Å; I91-I125 HydrophobicContact CG2-CD1 4.4Å; I125-L133 HydrophobicContact CD1-CD1 4.25Å; I125-L133 HydrophobicContact CD1-CD2 4.21Å; I125-L133 HydrophobicContact CG1-CD2 4.33Å; I125-F134 CarbonylContact C-O 3.55Å; I125-F134 WeakPolarHBondContact CA-O 3.38Å; I125-V135 HydrophobicContact CD1-CG2 4.03Å; I125-V135 HydrophobicContact CG1-CG2 4Å
126R98.3Very high96.1Very high22 Ų2223.4 Ų23.48%0.08315%0.147CC..EExtended strand (participates in β ladder)trans-134145.3173.3-69.1-62.3-179.1-63.1-18.6111.3L133 F134 D172 V173 V175 I232R126-L133 CarbonylContact O-C 3.58Å; R126-L133 WeakPolarHBondContact O-CA 3.43Å; R126-F134 PolarHBondContact N-O 3.1Å; R126-F134 PolarHBondContact O-N 3.47Å; R126-D172 IonicContact CZ-OD1 2.83Å; R126-D172 IonicContact CZ-OD2 3.79Å; R126-D172 IonicContact NH1-OD1 2.77Å; R126-D172 PolarHBondContact NH1-OD1 3.48Å; R126-D172 IonicContact NH1-OD2 2.83Å; R126-D172 VanDerWaalsContact NH2-CG 3.29Å; R126-D172 IonicContact NH2-OD1 2.69Å; R126-D172 PolarHBondContact NH2-OD1 3.21Å; R126-D172 VanDerWaalsContact NH2-OD1 3.12Å; R126-D172 IonicContact NH2-OD2 3.51Å; R126-D172 PolarHBondContact NH2-OD2 2.77Å; R126-V173 HydrophobicContact CG-CG1 4.21Å; R126-V173 WeakPolarHBondContact CG-O 3.44Å; R126-V173 PolarHBondContact NE-O 3.07Å; R126-V173 PolarHBondContact NH1-O 3.02Å; R126-V173 PolarHBondContact NH2-O 3.18Å; R126-V175 HydrophobicContact CB-CG1 4Å; R126-I232 PolarHBondContact NH2-O 3.38Å
127A97.4Very high96.3Very high38 Ų3822.5 Ų22.531%0.31414%0.143SC..EExtended strand (participates in β ladder)trans-78.8126.3164.500000108.4V76 M78V76-A127 HydrophobicContact CG2-CB 3.79Å; M78-A127 HydrophobicContact CE-CB 3.66Å; M78-A127 HydrophobicContact CG-CB 4.31Å
128G94.9Very high96.4Very high15 Ų1520.8 Ų20.816%0.15513%0.132CC..  trans-93.5179.3171.100000112.6T132G128-T132 PolarHBondContact N-O 2.95Å
129P90.6Very high96.6Very high38 Ų3817.7 Ų17.725%0.24711%0.111CC..G310 helixtrans-62161.6170.430.6-37.9000111.5G131 T132P129-G131 PolarHBondContact O-N 3.16Å; P129-T132 PolarHBondContact O-N 2.88Å; P129-T132 PolarHBondContact O-OG1 2.7Å
130N87Confident96.7Very high168 Ų16819 Ų1990%0.89812%0.118SC*.G310 helixtrans57.218.8179.1-54.6-36.3000114.7
131G88.3Confident96.8Very high32 Ų3219 Ų1933%0.3312%0.118SC..G310 helixtrans71.433.718000000113.1P129 P147P129-G131 PolarHBondContact O-N 3.16Å; G131-P147 WeakPolarHBondContact O-CD 3.41Å; G131-P147 WeakPolarHBondContact O-CG 3.37Å
132T95.9Very high96.8Very high26 Ų2618.9 Ų18.916%0.1612%0.118CC..  trans-89159.6169.660.10000111.4M78 G128 P129 E144M78-T132 WeakPolarHBondContact CE-O 3.39Å; G128-T132 PolarHBondContact N-O 2.95Å; P129-T132 PolarHBondContact O-N 2.88Å; P129-T132 PolarHBondContact O-OG1 2.7Å; T132-E144 WeakPolarHBondContact CG2-OE1 3.47Å
133L98.4Very high96.8Very high0 Ų019.4 Ų19.40%012%0.12CC..EExtended strand (participates in β ladder)trans-112.7131.2171.8-64.3169.4000109.6V76 M78 F83 L102 I125 R126 E144 V145 P147V76-L133 HydrophobicContact CG1-CD2 3.8Å; M78-L133 HydrophobicContact CE-CD2 3.62Å; M78-L133 HydrophobicContact CE-CG 4.12Å; F83-L133 HydrophobicContact CB-CD1 4.15Å; F83-L133 HydrophobicContact CB-CD2 4.45Å; F83-L133 HydrophobicContact CD1-CD1 3.56Å; F83-L133 HydrophobicContact CD2-CD1 4.3Å; F83-L133 HydrophobicContact CD2-CD2 4.14Å; F83-L133 HydrophobicContact CE1-CD1 3.94Å; F83-L133 HydrophobicContact CG-CD1 3.75Å; F83-L133 HydrophobicContact CG-CD2 4.24Å; F83-L133 HydrophobicContact CZ-CD1 4.48Å; L102-L133 HydrophobicContact CD2-CD1 3.98Å; I125-L133 HydrophobicContact CD1-CD1 4.25Å; I125-L133 HydrophobicContact CD1-CD2 4.21Å; I125-L133 HydrophobicContact CG1-CD2 4.33Å; R126-L133 CarbonylContact O-C 3.58Å; R126-L133 WeakPolarHBondContact O-CA 3.43Å; L133-E144 CarbonylContact O-C 3.57Å; L133-E144 WeakPolarHBondContact O-CA 3.49Å; L133-V145 HydrophobicContact CB-CB 4.22Å; L133-V145 WeakPolarHBondContact CB-O 3.2Å; L133-V145 PolarHBondContact N-O 2.78Å; L133-V145 PolarHBondContact O-N 2.98Å; L133-P147 HydrophobicContact CD1-CB 3.93Å; L133-P147 HydrophobicContact CG-CB 4.31Å; L133-P147 HydrophobicContact CG-CG 4.46Å
134F98.7Very high96.8Very high5 Ų522.5 Ų22.52%0.02213%0.134CC..EExtended strand (participates in β ladder)trans-102.7129.2167.9-65.7-77.6000109.4I125 R126 F143 E144 L155 V173 V175 L182I125-F134 CarbonylContact C-O 3.55Å; I125-F134 WeakPolarHBondContact CA-O 3.38Å; R126-F134 PolarHBondContact N-O 3.1Å; R126-F134 PolarHBondContact O-N 3.47Å; F134-F143 CarbonylContact C-O 3.54Å; F134-F143 VanDerWaalsContact CA-O 3.32Å; F134-F143 WeakPolarHBondContact CA-O 3.48Å; F134-E144 HydrophobicContact CD1-CB 4.31Å; F134-E144 HydrophobicContact CE1-CB 4.13Å; F134-E144 HydrophobicContact CE1-CG 4.17Å; F134-L155 HydrophobicContact CD1-CD1 3.97Å; F134-L155 HydrophobicContact CE1-CD1 3.83Å; F134-V173 HydrophobicContact CB-CG1 4.43Å; F134-V175 HydrophobicContact CD2-CB 4.13Å; F134-V175 HydrophobicContact CD2-CG1 4.26Å; F134-V175 HydrophobicContact CD2-CG2 3.82Å; F134-V175 HydrophobicContact CE2-CB 4.49Å; F134-V175 HydrophobicContact CE2-CG2 3.68Å; F134-V175 HydrophobicContact CZ-CG2 4.43Å; F134-L182 HydrophobicContact CB-CD2 4.23Å; F134-L182 HydrophobicContact CD1-CD1 3.63Å; F134-L182 HydrophobicContact CD1-CD2 3.63Å; F134-L182 HydrophobicContact CD1-CG 4.25Å; F134-L182 HydrophobicContact CD2-CD2 3.99Å; F134-L182 HydrophobicContact CE1-CD1 3.88Å; F134-L182 HydrophobicContact CE1-CD2 3.89Å; F134-L182 HydrophobicContact CE1-CG 4.37Å; F134-L182 HydrophobicContact CE2-CD2 4.23Å; F134-L182 HydrophobicContact CG-CD1 4.41Å; F134-L182 HydrophobicContact CG-CD2 3.67Å; F134-L182 HydrophobicContact CZ-CD2 4.18Å
135V98.9Very high96.8Very high1 Ų122.5 Ų22.51%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-127.8123.8-171.3-176.70000109.8I91 L105 P122 G124 I125 V142 F143 V145I91-V135 HydrophobicContact CD1-CB 4.38Å; I91-V135 HydrophobicContact CD1-CG1 4.19Å; I91-V135 HydrophobicContact CD1-CG2 3.84Å; I91-V135 HydrophobicContact CG1-CG1 4.46Å; L105-V135 HydrophobicContact CD1-CG1 4.34Å; P122-V135 HydrophobicContact CB-CG1 3.63Å; G124-V135 CarbonylContact O-C 3.53Å; G124-V135 WeakPolarHBondContact O-CA 3.41Å; I125-V135 HydrophobicContact CD1-CG2 4.03Å; I125-V135 HydrophobicContact CG1-CG2 4Å; V135-V142 CarbonylContact O-C 3.51Å; V135-V142 WeakPolarHBondContact O-CA 3.2Å; V135-F143 HydrophobicContact CB-CB 4.39Å; V135-F143 PolarHBondContact N-O 3.1Å; V135-F143 PolarHBondContact O-N 3.22Å; V135-V145 HydrophobicContact CG2-CG2 4.13Å
136A98.9Very high96.8Very high0 Ų025.1 Ų25.10%015%0.148CC..EExtended strand (participates in β ladder)trans-93.5113.317100000109.5P122 L123 G124 I170 N171 V173P122-A136 WeakPolarHBondContact CA-O 3.37Å; L123-A136 PolarHBondContact N-O 3.36Å; G124-A136 PolarHBondContact N-O 2.81Å; G124-A136 PolarHBondContact O-N 2.94Å; A136-I170 HydrophobicContact CB-CG2 3.92Å; A136-N171 WeakPolarHBondContact CB-O 3.41Å; A136-V173 HydrophobicContact CB-CB 4.1Å; A136-V173 HydrophobicContact CB-CG1 4.07Å
137D98.8Very high96.7Very high0 Ų024.8 Ų24.80%015%0.149CC..EExtended strand (participates in β ladder)trans-101.8133.6172.8-172.1-80.1000110.9L105 G120 R121 Y139 L140 G141 F143L105-D137 HydrophobicContact CD1-CB 3.93Å; G120-D137 VanDerWaalsContact C-OD2 3.31Å; G120-D137 WeakPolarHBondContact CA-OD1 3.34Å; G120-D137 WeakPolarHBondContact CA-OD2 3.42Å; R121-D137 VanDerWaalsContact N-CG 3.35Å; R121-D137 PolarHBondContact N-OD1 3.01Å; R121-D137 PolarHBondContact N-OD2 2.84Å; D137-Y139 PolarHBondContact O-N 2.62Å; D137-Y139 VanDerWaalsContact O-N 3.1Å; D137-Y139 PolarHBondContact OD1-N 3.25Å; D137-L140 HydrophobicContact CB-CB 4.26Å; D137-L140 WeakPolarHBondContact OD1-CB 3.47Å; D137-L140 PolarHBondContact OD1-N 3.18Å; D137-G141 WeakPolarHBondContact CA-O 3.35Å; D137-G141 WeakPolarHBondContact CB-O 3.5Å; D137-G141 PolarHBondContact N-O 3.24Å; D137-G141 PolarHBondContact O-N 2.66Å; D137-F143 HydrophobicContact CB-CD2 4.23Å; D137-F143 HydrophobicContact CB-CE2 3.79Å
138A98.6Very high96.5Very high0 Ų027 Ų270%017%0.167CC..THydrogen-bonded Turntrans-61.7-24.6-173.300000115.5R121 L123 F169 I170 R193R121-A138 HydrophobicContact CB-CB 4.23Å; R121-A138 PolarHBondContact O-N 3.47Å; L123-A138 HydrophobicContact CD1-CB 3.55Å; L123-A138 HydrophobicContact CG-CB 4Å; A138-F169 HydrophobicContact CB-CD2 4.17Å; A138-F169 HydrophobicContact CB-CE2 4.44Å; A138-I170 WeakPolarHBondContact CA-O 3.4Å; A138-I170 PolarHBondContact O-N 3.02Å; A138-R193 HydrophobicContact CB-CB 3.69Å; A138-R193 HydrophobicContact CB-CG 4.15Å
139Y98.6Very high96.6Very high17 Ų1730.9 Ų30.97%0.06719%0.188CC..THydrogen-bonded Turntrans-121.3-39.5-173.4-59.6-90000112.2E116 P117 R121 D137 G158 Q192 R193 R194E116-Y139 HydrophobicContact CB-CD2 4.16Å; E116-Y139 HydrophobicContact CB-CE2 3.42Å; E116-Y139 VanDerWaalsContact CB-CE2 3.42Å; E116-Y139 HydrophobicContact CG-CE2 4.35Å; E116-Y139 WeakPolarHBondContact O-CD2 3.09Å; E116-Y139 WeakPolarHBondContact OE2-CE2 3.43Å; E116-Y139 PolarHBondContact OE2-OH 3.11Å; P117-Y139 HydrophobicContact CB-CD1 3.88Å; P117-Y139 HydrophobicContact CB-CE1 4.16Å; P117-Y139 HydrophobicContact CG-CD1 3.96Å; P117-Y139 HydrophobicContact CG-CE1 3.69Å; R121-Y139 HydrophobicContact CB-CD2 4Å; R121-Y139 HydrophobicContact CB-CE2 3.82Å; D137-Y139 PolarHBondContact O-N 2.62Å; D137-Y139 VanDerWaalsContact O-N 3.1Å; D137-Y139 PolarHBondContact OD1-N 3.25Å; Y139-G158 WeakPolarHBondContact O-CA 3.44Å; Y139-Q192 HydrophobicContact CD1-CB 4.39Å; Y139-Q192 HydrophobicContact CE1-CB 3.7Å; Y139-Q192 HydrophobicContact CE1-CG 4.28Å; Y139-R193 HydrophobicContact CE2-CB 3.9Å; Y139-R193 HydrophobicContact CE2-CG 4.48Å; Y139-R194 WeakPolarHBondContact OH-CB 3.41Å; Y139-R194 PolarHBondContact OH-N 3.37Å
140L98.6Very high96.9Very high29 Ų2929.8 Ų29.815%0.15218%0.183CC..THydrogen-bonded Turntrans-93.4-18.7-166.7-56.1-177.3000113.2L105 D137 F143 R154 G158L105-L140 HydrophobicContact CB-CD1 3.94Å; D137-L140 HydrophobicContact CB-CB 4.26Å; D137-L140 WeakPolarHBondContact OD1-CB 3.47Å; D137-L140 PolarHBondContact OD1-N 3.18Å; L140-F143 HydrophobicContact CB-CE2 3.86Å; L140-F143 HydrophobicContact CB-CZ 3.66Å; L140-R154 WeakPolarHBondContact O-CD 3.03Å; L140-G158 PolarHBondContact O-N 3.25Å; L140-G158 VanDerWaalsContact O-N 3.07Å
141G98.6Very high97.4Very high0 Ų024.4 Ų24.40%016%0.162CC..EExtended strand (participates in β ladder)trans123.4-155.2174.700000115.4D137 F143 V156D137-G141 WeakPolarHBondContact CA-O 3.35Å; D137-G141 WeakPolarHBondContact CB-O 3.5Å; D137-G141 PolarHBondContact N-O 3.24Å; D137-G141 PolarHBondContact O-N 2.66Å; G141-F143 WeakPolarHBondContact O-CE2 3.33Å; G141-V156 CarbonylContact C-O 3.22Å; G141-V156 WeakPolarHBondContact CA-O 3.09Å
142V98.9Very high97.9Very high0 Ų025.6 Ų25.60%016%0.163CC..EExtended strand (participates in β ladder)trans-108.1134.5174.9-175.40000109.2V135 L155 V156 I170 L182 F184V135-V142 CarbonylContact O-C 3.51Å; V135-V142 WeakPolarHBondContact O-CA 3.2Å; V142-L155 PolarHBondContact O-N 3.19Å; V142-V156 HydrophobicContact CB-CB 3.93Å; V142-V156 HydrophobicContact CB-CG2 4.17Å; V142-V156 HydrophobicContact CG2-CB 4.15Å; V142-V156 HydrophobicContact CG2-CG2 4.43Å; V142-V156 PolarHBondContact N-O 3.23Å; V142-V156 PolarHBondContact O-N 2.86Å; V142-V156 VanDerWaalsContact O-N 3.13Å; V142-I170 HydrophobicContact CG2-CG2 4.2Å; V142-L182 HydrophobicContact CG1-CD1 4.07Å; V142-F184 HydrophobicContact CG2-CD1 4.14Å; V142-F184 HydrophobicContact CG2-CD2 4.1Å; V142-F184 HydrophobicContact CG2-CE1 4.33Å; V142-F184 HydrophobicContact CG2-CE2 4.28Å; V142-F184 HydrophobicContact CG2-CG 4Å; V142-F184 HydrophobicContact CG2-CZ 4.38Å
143F98.8Very high98Very high12 Ų1228 Ų285%0.05318%0.178CC..EExtended strand (participates in β ladder)trans-126148.6-173.4-60.8-96.7000111.5L105 F134 V135 D137 L140 G141 V145 V152 T153 R154L105-F143 HydrophobicContact CD1-CD2 3.85Å; L105-F143 HydrophobicContact CD1-CE2 3.89Å; L105-F143 HydrophobicContact CD1-CG 4.38Å; L105-F143 HydrophobicContact CD1-CZ 4.42Å; L105-F143 HydrophobicContact CD2-CD1 4.03Å; L105-F143 HydrophobicContact CD2-CD2 4.34Å; L105-F143 HydrophobicContact CD2-CE1 4.25Å; L105-F143 HydrophobicContact CD2-CG 4.07Å; F134-F143 CarbonylContact C-O 3.54Å; F134-F143 VanDerWaalsContact CA-O 3.32Å; F134-F143 WeakPolarHBondContact CA-O 3.48Å; V135-F143 HydrophobicContact CB-CB 4.39Å; V135-F143 PolarHBondContact N-O 3.1Å; V135-F143 PolarHBondContact O-N 3.22Å; D137-F143 HydrophobicContact CB-CD2 4.23Å; D137-F143 HydrophobicContact CB-CE2 3.79Å; L140-F143 HydrophobicContact CB-CE2 3.86Å; L140-F143 HydrophobicContact CB-CZ 3.66Å; G141-F143 WeakPolarHBondContact O-CE2 3.33Å; F143-V145 HydrophobicContact CB-CG2 4.31Å; F143-V152 HydrophobicContact CB-CG1 4.32Å; F143-V152 HydrophobicContact CD1-CG1 3.53Å; F143-V152 HydrophobicContact CE1-CG1 4.23Å; F143-V152 HydrophobicContact CG-CG1 4.28Å; F143-T153 CarbonylContact C-O 3.58Å; F143-T153 VanDerWaalsContact CA-O 3.31Å; F143-T153 WeakPolarHBondContact CA-O 3.41Å; F143-R154 HydrophobicContact CD1-CB 3.72Å; F143-R154 HydrophobicContact CD1-CG 3.97Å; F143-R154 HydrophobicContact CE1-CB 3.56Å; F143-R154 HydrophobicContact CE1-CG 3.59Å; F143-R154 HydrophobicContact CZ-CB 4.4Å; F143-R154 HydrophobicContact CZ-CG 3.94Å
144E98.3Very high98Very high66 Ų6635.2 Ų35.231%0.30821%0.205SC..EExtended strand (participates in β ladder)trans-101.3135.1159.7-178.8178.7-160.100108.5T132 L133 F134 T153 L155T132-E144 WeakPolarHBondContact CG2-OE1 3.47Å; L133-E144 CarbonylContact O-C 3.57Å; L133-E144 WeakPolarHBondContact O-CA 3.49Å; F134-E144 HydrophobicContact CD1-CB 4.31Å; F134-E144 HydrophobicContact CE1-CB 4.13Å; F134-E144 HydrophobicContact CE1-CG 4.17Å; E144-T153 PolarHBondContact N-O 2.97Å; E144-T153 PolarHBondContact O-N 2.96Å; E144-L155 HydrophobicContact CB-CD1 4.07Å; E144-L155 HydrophobicContact CB-CD2 4.35Å; E144-L155 HydrophobicContact CB-CG 4.23Å
145V98.4Very high98Very high0 Ų036.4 Ų36.40%021%0.211CC..EExtended strand (participates in β ladder)trans-132.9130.1-178.2-1760000110.2I91 L102 L133 V135 F143 P147 A151 V152I91-V145 HydrophobicContact CD1-CB 4.43Å; I91-V145 HydrophobicContact CD1-CG1 4.35Å; I91-V145 HydrophobicContact CD1-CG2 3.65Å; L102-V145 HydrophobicContact CD2-CG1 3.89Å; L102-V145 HydrophobicContact CG-CG1 4.38Å; L133-V145 HydrophobicContact CB-CB 4.22Å; L133-V145 WeakPolarHBondContact CB-O 3.2Å; L133-V145 PolarHBondContact N-O 2.78Å; L133-V145 PolarHBondContact O-N 2.98Å; V135-V145 HydrophobicContact CG2-CG2 4.13Å; F143-V145 HydrophobicContact CB-CG2 4.31Å; V145-P147 WeakPolarHBondContact O-CD 3.5Å; V145-A151 VanDerWaalsContact CA-O 3.32Å; V145-A151 WeakPolarHBondContact CA-O 3.3Å; V145-V152 HydrophobicContact CG1-CG2 4.2Å; V145-V152 HydrophobicContact CG2-CB 4.47Å; V145-V152 HydrophobicContact CG2-CG1 4.25Å; V145-V152 HydrophobicContact CG2-CG2 4Å
146D97.4Very high98Very high59 Ų5936.5 Ų36.532%0.31621%0.212SC..  trans-81.7116.4174177.5-24.3000109.7A148 T149 G150 A151D146-A148 VanDerWaalsContact C-N 3.28Å; D146-A148 PolarHBondContact O-N 3.38Å; D146-A148 WeakPolarHBondContact OD1-CA 3.39Å; D146-A148 VanDerWaalsContact OD1-CB 3.3Å; D146-A148 WeakPolarHBondContact OD1-CB 3.23Å; D146-A148 PolarHBondContact OD1-N 3.01Å; D146-T149 WeakPolarHBondContact CB-OG1 3.2Å; D146-T149 PolarHBondContact OD1-N 3.33Å; D146-T149 WeakPolarHBondContact OD2-CG2 3.44Å; D146-T149 PolarHBondContact OD2-OG1 3.3Å; D146-G150 VanDerWaalsContact O-CA 3.25Å; D146-G150 WeakPolarHBondContact O-CA 3.46Å; D146-G150 PolarHBondContact O-N 2.81Å; D146-A151 HydrophobicContact CB-CB 4.18Å; D146-A151 PolarHBondContact N-O 2.75Å
147P96.4Very high98Very high15 Ų1537.9 Ų37.910%0.09722%0.223CC..THydrogen-bonded Turntrans-75.2-10.7-178.829.6-33.9000115.2M78 F83 K93 L102 G131 L133 V145M78-P147 HydrophobicContact CE-CG 4.33Å; M78-P147 HydrophobicContact SD-CG 4.02Å; F83-P147 HydrophobicContact CE1-CB 3.58Å; F83-P147 HydrophobicContact CE2-CB 4.45Å; F83-P147 HydrophobicContact CZ-CB 3.52Å; K93-P147 PolarHBondContact NZ-O 3.34Å; L102-P147 HydrophobicContact CD2-CB 4.46Å; G131-P147 WeakPolarHBondContact O-CD 3.41Å; G131-P147 WeakPolarHBondContact O-CG 3.37Å; L133-P147 HydrophobicContact CD1-CB 3.93Å; L133-P147 HydrophobicContact CG-CB 4.31Å; L133-P147 HydrophobicContact CG-CG 4.46Å; V145-P147 WeakPolarHBondContact O-CD 3.5Å
148A94.4Very high97.9Very high84 Ų8438.8 Ų38.869%0.69423%0.233SC*.THydrogen-bonded Turntrans-87.3-46.5173.700000111.2D146D146-A148 VanDerWaalsContact C-N 3.28Å; D146-A148 PolarHBondContact O-N 3.38Å; D146-A148 WeakPolarHBondContact OD1-CA 3.39Å; D146-A148 VanDerWaalsContact OD1-CB 3.3Å; D146-A148 WeakPolarHBondContact OD1-CB 3.23Å; D146-A148 PolarHBondContact OD1-N 3.01Å
149T95.9Very high97.9Very high97 Ų9740.7 Ų40.760%0.59525%0.252SS*.THydrogen-bonded Turntrans-99.7-23.5-173.3660000114.1D146 A151D146-T149 WeakPolarHBondContact CB-OG1 3.2Å; D146-T149 PolarHBondContact OD1-N 3.33Å; D146-T149 WeakPolarHBondContact OD2-CG2 3.44Å; D146-T149 PolarHBondContact OD2-OG1 3.3Å; T149-A151 VanDerWaalsContact C-N 3.25Å; T149-A151 WeakPolarHBondContact OG1-CB 3.38Å; T149-A151 PolarHBondContact OG1-N 2.9Å
150G97Very high97.8Very high15 Ų1543.3 Ų43.316%0.15527%0.265CS..  trans76.510.1-169.900000113.8L102 D146L102-G150 WeakPolarHBondContact O-CA 3.42Å; D146-G150 VanDerWaalsContact O-CA 3.25Å; D146-G150 WeakPolarHBondContact O-CA 3.46Å; D146-G150 PolarHBondContact O-N 2.81Å
151A97.8Very high97.8Very high54 Ų5448.2 Ų48.245%0.44629%0.287SS..  trans-62.2135.9174.200000110.5V145 D146 T149V145-A151 VanDerWaalsContact CA-O 3.32Å; V145-A151 WeakPolarHBondContact CA-O 3.3Å; D146-A151 HydrophobicContact CB-CB 4.18Å; D146-A151 PolarHBondContact N-O 2.75Å; T149-A151 VanDerWaalsContact C-N 3.25Å; T149-A151 WeakPolarHBondContact OG1-CB 3.38Å; T149-A151 PolarHBondContact OG1-N 2.9Å
152V98.3Very high97.8Very high58 Ų5848.9 Ų48.935%0.35229%0.291SS..EExtended strand (participates in β ladder)trans-121.2126.9-177.5178.40000109.6A103 L105 F143 V145A103-V152 HydrophobicContact CB-CG2 3.44Å; A103-V152 VanDerWaalsContact CB-CG2 3.44Å; L105-V152 HydrophobicContact CD2-CG1 3.71Å; L105-V152 HydrophobicContact CD2-CG2 4.29Å; F143-V152 HydrophobicContact CB-CG1 4.32Å; F143-V152 HydrophobicContact CD1-CG1 3.53Å; F143-V152 HydrophobicContact CE1-CG1 4.23Å; F143-V152 HydrophobicContact CG-CG1 4.28Å; V145-V152 HydrophobicContact CG1-CG2 4.2Å; V145-V152 HydrophobicContact CG2-CB 4.47Å; V145-V152 HydrophobicContact CG2-CG1 4.25Å; V145-V152 HydrophobicContact CG2-CG2 4Å
153T97.9Very high97.6Very high77 Ų7752.1 Ų52.147%0.47232%0.324SS..EExtended strand (participates in β ladder)trans-117.8123.1172.4-59.10000109.1F143 E144 L155F143-T153 CarbonylContact C-O 3.58Å; F143-T153 VanDerWaalsContact CA-O 3.31Å; F143-T153 WeakPolarHBondContact CA-O 3.41Å; E144-T153 PolarHBondContact N-O 2.97Å; E144-T153 PolarHBondContact O-N 2.96Å; T153-L155 HydrophobicContact CG2-CD2 4.18Å
154R98.6Very high97.5Very high150 Ų15054.8 Ų54.857%0.56636%0.356SS*.EExtended strand (participates in β ladder)trans-82.5118.6173.6-170.716963.3179.5-0.4110L140 F143 V156L140-R154 WeakPolarHBondContact O-CD 3.03Å; F143-R154 HydrophobicContact CD1-CB 3.72Å; F143-R154 HydrophobicContact CD1-CG 3.97Å; F143-R154 HydrophobicContact CE1-CB 3.56Å; F143-R154 HydrophobicContact CE1-CG 3.59Å; F143-R154 HydrophobicContact CZ-CB 4.4Å; F143-R154 HydrophobicContact CZ-CG 3.94Å; R154-V156 VanDerWaalsContact CG-O 3.3Å; R154-V156 WeakPolarHBondContact CG-O 3.45Å
155L98.6Very high97.5Very high31 Ų3154.2 Ų54.216%0.16235%0.35CS..EExtended strand (participates in β ladder)trans-89.9-43.9-179.5-58.9-179000111.6F134 V142 E144 T153 L182 Y212F134-L155 HydrophobicContact CD1-CD1 3.97Å; F134-L155 HydrophobicContact CE1-CD1 3.83Å; V142-L155 PolarHBondContact O-N 3.19Å; E144-L155 HydrophobicContact CB-CD1 4.07Å; E144-L155 HydrophobicContact CB-CD2 4.35Å; E144-L155 HydrophobicContact CB-CG 4.23Å; T153-L155 HydrophobicContact CG2-CD2 4.18Å; L155-L182 HydrophobicContact CD1-CD1 3.51Å; L155-Y212 HydrophobicContact CB-CD1 4.39Å; L155-Y212 HydrophobicContact CB-CE1 3.76Å; L155-Y212 HydrophobicContact CD1-CE1 4.16Å; L155-Y212 HydrophobicContact CD2-CE1 4.37Å; L155-Y212 HydrophobicContact CG-CE1 4.33Å; L155-Y212 PolarHBondContact O-OH 2.97Å
156V98.8Very high97.5Very high2 Ų259.3 Ų59.31%0.01237%0.373CS..EExtended strand (participates in β ladder)trans-125.1131.9179.7177.20000107.4G141 V142 R154 Q160 L167 F184 Y212 L219G141-V156 CarbonylContact C-O 3.22Å; G141-V156 WeakPolarHBondContact CA-O 3.09Å; V142-V156 HydrophobicContact CB-CB 3.93Å; V142-V156 HydrophobicContact CB-CG2 4.17Å; V142-V156 HydrophobicContact CG2-CB 4.15Å; V142-V156 HydrophobicContact CG2-CG2 4.43Å; V142-V156 PolarHBondContact N-O 3.23Å; V142-V156 PolarHBondContact O-N 2.86Å; V142-V156 VanDerWaalsContact O-N 3.13Å; R154-V156 VanDerWaalsContact CG-O 3.3Å; R154-V156 WeakPolarHBondContact CG-O 3.45Å; V156-Q160 VanDerWaalsContact CG1-NE2 3.26Å; V156-L167 HydrophobicContact CG1-CD1 3.66Å; V156-F184 HydrophobicContact CG1-CZ 4Å; V156-F184 HydrophobicContact CG2-CE1 4.25Å; V156-F184 HydrophobicContact CG2-CZ 4.33Å; V156-Y212 HydrophobicContact CG2-CD2 3.7Å; V156-Y212 HydrophobicContact CG2-CE2 4.13Å; V156-Y212 HydrophobicContact CG2-CG 3.93Å; V156-L219 HydrophobicContact CG1-CD2 3.85Å; V156-L219 HydrophobicContact CG2-CD1 4.44Å; V156-L219 HydrophobicContact CG2-CD2 4.39Å
157A98.4Very high97.5Very high29 Ų2956.6 Ų56.624%0.2436%0.358CS..EExtended strand (participates in β ladder)trans-85.5131.4172.500000110.8Q160A157-Q160 VanDerWaalsContact O-CG 3.25Å; A157-Q160 WeakPolarHBondContact O-CG 3.48Å; A157-Q160 PolarHBondContact O-NE2 3.36Å
158G98Very high97.6Very high20 Ų2056.6 Ų56.621%0.20636%0.358CS..THydrogen-bonded Turntrans-64.8154.8166.500000111.5Y139 L140 Q160Y139-G158 WeakPolarHBondContact O-CA 3.44Å; L140-G158 PolarHBondContact O-N 3.25Å; L140-G158 VanDerWaalsContact O-N 3.07Å; G158-Q160 PolarHBondContact O-N 3.38Å; G158-Q160 VanDerWaalsContact O-N 3.08Å
159G97.6Very high97.8Very high39 Ų3952.6 Ų52.640%0.40233%0.325SS..THydrogen-bonded Turntrans72.9-11.5-177.900000115.8L167G159-L167 WeakPolarHBondContact CA-O 3.48Å; G159-L167 PolarHBondContact N-O 3.34Å
160Q97.7Very high97.9Very high73 Ų7348 Ų4834%0.34130%0.297SS..  trans-65.2151.7174.282.9-176.6-68.600110.7V156 A157 G158 V162 K166 L167V156-Q160 VanDerWaalsContact CG1-NE2 3.26Å; A157-Q160 VanDerWaalsContact O-CG 3.25Å; A157-Q160 WeakPolarHBondContact O-CG 3.48Å; A157-Q160 PolarHBondContact O-NE2 3.36Å; G158-Q160 PolarHBondContact O-N 3.38Å; G158-Q160 VanDerWaalsContact O-N 3.08Å; Q160-V162 HydrophobicContact CG-CG2 4.02Å; Q160-K166 WeakPolarHBondContact O-CA 3.47Å; Q160-L167 HydrophobicContact CG-CD1 3.93Å; Q160-L167 PolarHBondContact O-N 3.1Å
161E97.9Very high98Very high132 Ų13247.3 Ų47.362%0.61729%0.29SS*.EExtended strand (participates in β ladder)trans-88.9129.1177.5-69.6-177.1176.500110.8K166E161-K166 HydrophobicContact CG-CG 3.74Å
162V97.9Very high98.1Very high14 Ų1444.7 Ų44.79%0.08527%0.269CS..EExtended strand (participates in β ladder)trans-132.4127.8175-170.90000106.9Q160 G164 R165 L167 R208 L210 L219 V221Q160-V162 HydrophobicContact CG-CG2 4.02Å; V162-G164 PolarHBondContact O-N 2.9Å; V162-R165 PolarHBondContact N-O 3.32Å; V162-R165 PolarHBondContact O-N 3Å; V162-R165 VanDerWaalsContact O-O 3.08Å; V162-L167 HydrophobicContact CG2-CD1 4.1Å; V162-L167 HydrophobicContact CG2-CG 4.22Å; V162-R208 PolarHBondContact O-NH1 2.96Å; V162-L210 HydrophobicContact CB-CD2 4.15Å; V162-L210 HydrophobicContact CG1-CD2 3.95Å; V162-L210 HydrophobicContact CG2-CD2 4.3Å; V162-L219 HydrophobicContact CG1-CG 4.13Å; V162-L219 HydrophobicContact CG2-CD2 3.52Å; V162-L219 HydrophobicContact CG2-CG 4.04Å; V162-V221 HydrophobicContact CG1-CG2 4Å
163G95.6Very high98.1Very high67 Ų6742 Ų4269%0.69125%0.252SS*.THydrogen-bonded Turntrans54.937.6-176.200000113.3R165G163-R165 VanDerWaalsContact C-N 3.29Å; G163-R165 PolarHBondContact O-N 3.35Å
164G96.8Very high98.1Very high69 Ų6938.4 Ų38.471%0.71123%0.23SC*.THydrogen-bonded Turntrans74.46.5178.200000116.2V162V162-G164 PolarHBondContact O-N 2.9Å
165R97.8Very high98.1Very high53 Ų5332.3 Ų32.320%0.221%0.21CC..EExtended strand (participates in β ladder)trans-129.8139.7179.9-75.7-176.8-72.1177.7-11.7111.6V162 G163 D206 R208 E224V162-R165 PolarHBondContact N-O 3.32Å; V162-R165 PolarHBondContact O-N 3Å; V162-R165 VanDerWaalsContact O-O 3.08Å; G163-R165 VanDerWaalsContact C-N 3.29Å; G163-R165 PolarHBondContact O-N 3.35Å; R165-D206 PolarHBondContact NH1-O 3.16Å; R165-R208 PolarHBondContact O-NH1 2.85Å; R165-R208 PolarHBondContact O-NH2 2.78Å; R165-E224 IonicContact CZ-OE2 3.84Å; R165-E224 IonicContact NH2-OE2 3.11Å; R165-E224 PolarHBondContact NH2-OE2 2.84Å
166K98.1Very high98.1Very high107 Ų10731.3 Ų31.347%0.46521%0.205SC..EExtended strand (participates in β ladder)trans-68.7143177.7-67.7-177179.1179.80111.7Q160 E161 S168 S189 R208Q160-K166 WeakPolarHBondContact O-CA 3.47Å; E161-K166 HydrophobicContact CG-CG 3.74Å; K166-S168 PolarHBondContact O-N 3.41Å; K166-S168 VanDerWaalsContact O-N 3.17Å; K166-S189 WeakPolarHBondContact O-CA 3.16Å; K166-R208 PolarHBondContact O-NH2 2.98Å
167L98.5Very high97.9Very high2 Ų238.8 Ų38.81%0.0124%0.24CC..  trans-77.387165.3-64.8178.1000109.2V156 G159 Q160 V162 I170 F184 D186 L210 L219V156-L167 HydrophobicContact CG1-CD1 3.66Å; G159-L167 WeakPolarHBondContact CA-O 3.48Å; G159-L167 PolarHBondContact N-O 3.34Å; Q160-L167 HydrophobicContact CG-CD1 3.93Å; Q160-L167 PolarHBondContact O-N 3.1Å; V162-L167 HydrophobicContact CG2-CD1 4.1Å; V162-L167 HydrophobicContact CG2-CG 4.22Å; L167-I170 HydrophobicContact CB-CD1 4.2Å; L167-I170 HydrophobicContact CB-CG1 4.31Å; L167-I170 HydrophobicContact CD1-CD1 4.24Å; L167-F184 HydrophobicContact CD1-CE2 4.42Å; L167-F184 HydrophobicContact CD1-CZ 4.47Å; L167-F184 HydrophobicContact CD2-CE2 4.31Å; L167-D186 HydrophobicContact CD2-CB 3.94Å; L167-L210 HydrophobicContact CD2-CD1 3.84Å; L167-L210 HydrophobicContact CD2-CD2 3.75Å; L167-L210 HydrophobicContact CD2-CG 4.48Å; L167-L219 HydrophobicContact CD1-CD2 4.39Å
168S98.3Very high97.7Very high15 Ų1542.3 Ų42.311%0.10526%0.255CS..  trans-95.3-22.4-171.4-64.40000113.2K166 D186 S188 S189K166-S168 PolarHBondContact O-N 3.41Å; K166-S168 VanDerWaalsContact O-N 3.17Å; S168-D186 PolarHBondContact N-OD1 2.94Å; S168-S188 WeakPolarHBondContact CB-O 3.45Å; S168-S189 WeakPolarHBondContact CB-O 3.37Å; S168-S189 PolarHBondContact OG-O 2.64Å
169F98.6Very high97.6Very high0 Ų041.7 Ų41.70%025%0.248CC..  trans-151.881.6179.8-176.4-178.1000110.5L123 A138 N171 D186 S187 S188 W191 R193 L199 F228L123-F169 HydrophobicContact CD1-CD2 4.3Å; L123-F169 HydrophobicContact CD1-CE2 3.5Å; L123-F169 HydrophobicContact CD1-CZ 4.4Å; A138-F169 HydrophobicContact CB-CD2 4.17Å; A138-F169 HydrophobicContact CB-CE2 4.44Å; F169-N171 HydrophobicContact CE2-CB 4.26Å; F169-N171 WeakPolarHBondContact CE2-ND2 3.45Å; F169-D186 PolarHBondContact N-OD1 3.02Å; F169-D186 CarbonylContact O-C 3.54Å; F169-D186 WeakPolarHBondContact O-CA 3.39Å; F169-S187 WeakPolarHBondContact O-CB 3.39Å; F169-S187 PolarHBondContact O-N 3.3Å; F169-S188 PolarHBondContact N-O 3.21Å; F169-W191 VanDerWaalsContact CB-O 3.31Å; F169-W191 WeakPolarHBondContact CB-O 3.34Å; F169-R193 HydrophobicContact CD1-CB 4.49Å; F169-R193 HydrophobicContact CD2-CB 3.82Å; F169-R193 HydrophobicContact CE1-CB 4.35Å; F169-R193 HydrophobicContact CE2-CB 3.71Å; F169-R193 VanDerWaalsContact CE2-CD 3.45Å; F169-R193 HydrophobicContact CE2-CG 4.07Å; F169-R193 HydrophobicContact CG-CB 4.28Å; F169-R193 HydrophobicContact CZ-CB 4Å; F169-R193 HydrophobicContact CZ-CG 4.19Å; F169-L199 HydrophobicContact CD1-CD1 3.7Å; F169-L199 HydrophobicContact CE1-CD1 3.94Å; F169-F228 AromaticContact CE1-CE2 3.71Å; F169-F228 HydrophobicContact CE1-CE2 3.71Å; F169-F228 AromaticContact CE1-CZ 3.83Å; F169-F228 HydrophobicContact CE1-CZ 3.83Å; F169-F228 AromaticContact CZ-CE2 3.81Å; F169-F228 HydrophobicContact CZ-CE2 3.81Å; F169-F228 HydrophobicContact CZ-CZ 4.01Å
170I98.8Very high97.5Very high0 Ų044.4 Ų44.40%025%0.246CC..EExtended strand (participates in β ladder)trans-70.6142.2171.1-64.8163.5000108.9A136 A138 V142 L167 F184 T185A136-I170 HydrophobicContact CB-CG2 3.92Å; A138-I170 WeakPolarHBondContact CA-O 3.4Å; A138-I170 PolarHBondContact O-N 3.02Å; V142-I170 HydrophobicContact CG2-CG2 4.2Å; L167-I170 HydrophobicContact CB-CD1 4.2Å; L167-I170 HydrophobicContact CB-CG1 4.31Å; L167-I170 HydrophobicContact CD1-CD1 4.24Å; I170-F184 HydrophobicContact CD1-CE2 4.31Å; I170-F184 HydrophobicContact CG1-CD2 4.35Å; I170-F184 HydrophobicContact CG1-CE2 4.18Å; I170-F184 HydrophobicContact CG2-CD2 4.01Å; I170-T185 VanDerWaalsContact CA-O 3.3Å; I170-T185 WeakPolarHBondContact CA-O 3.48Å
171N98.6Very high97.6Very high1 Ų143.3 Ų43.31%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-123.4-73.2-173.4-155.1-36.7000113.3L123 G124 A136 F169 T185 S187 N230L123-N171 WeakPolarHBondContact CB-O 3.29Å; G124-N171 PolarHBondContact N-O 2.91Å; A136-N171 WeakPolarHBondContact CB-O 3.41Å; F169-N171 HydrophobicContact CE2-CB 4.26Å; F169-N171 WeakPolarHBondContact CE2-ND2 3.45Å; N171-T185 PolarHBondContact N-O 3.38Å; N171-S187 WeakPolarHBondContact CB-OG 3.25Å; N171-S187 PolarHBondContact ND2-OG 3.11Å; N171-S187 VanDerWaalsContact ND2-OG 3.15Å; N171-N230 PolarHBondContact ND2-OD1 2.96Å; N171-N230 PolarHBondContact OD1-OD1 3.22Å
172D98.8Very high97.6Very high0 Ų037 Ų370%021%0.211CC..EExtended strand (participates in β ladder)trans-124.8162.5-177.5-166.120.2000110.7G124 R126 F184 T185 I232 N277 R279G124-D172 WeakPolarHBondContact CA-OD1 3.08Å; R126-D172 IonicContact CZ-OD1 2.83Å; R126-D172 IonicContact CZ-OD2 3.79Å; R126-D172 IonicContact NH1-OD1 2.77Å; R126-D172 PolarHBondContact NH1-OD1 3.48Å; R126-D172 IonicContact NH1-OD2 2.83Å; R126-D172 VanDerWaalsContact NH2-CG 3.29Å; R126-D172 IonicContact NH2-OD1 2.69Å; R126-D172 PolarHBondContact NH2-OD1 3.21Å; R126-D172 VanDerWaalsContact NH2-OD1 3.12Å; R126-D172 IonicContact NH2-OD2 3.51Å; R126-D172 PolarHBondContact NH2-OD2 2.77Å; D172-F184 VanDerWaalsContact O-CA 3.26Å; D172-F184 WeakPolarHBondContact O-CA 3.33Å; D172-F184 VanDerWaalsContact O-CB 3.3Å; D172-F184 WeakPolarHBondContact O-CB 3.49Å; D172-T185 PolarHBondContact N-OG1 3.23Å; D172-T185 VanDerWaalsContact N-OG1 3.12Å; D172-T185 PolarHBondContact O-N 3.43Å; D172-T185 VanDerWaalsContact O-N 3.11Å; D172-T185 PolarHBondContact O-OG1 3.08Å; D172-I232 HydrophobicContact CB-CG2 3.85Å; D172-I232 VanDerWaalsContact O-CG2 3.3Å; D172-I232 WeakPolarHBondContact O-CG2 3.5Å; D172-I232 PolarHBondContact OD2-N 2.77Å; D172-N277 PolarHBondContact OD2-OD1 2.88Å; D172-R279 IonicContact OD1-CZ 3.76Å; D172-R279 IonicContact OD1-NH2 2.66Å; D172-R279 PolarHBondContact OD1-NH2 3.12Å; D172-R279 IonicContact OD2-CZ 2.68Å; D172-R279 IonicContact OD2-NH1 2.76Å; D172-R279 PolarHBondContact OD2-NH1 2.87Å; D172-R279 IonicContact OD2-NH2 3.02Å; D172-R279 PolarHBondContact OD2-NH2 3.08Å; D172-R279 VanDerWaalsContact OD2-NH2 3.08Å
173V98.8Very high97.6Very high0 Ų036.4 Ų36.40%021%0.207CC..EExtended strand (participates in β ladder)trans-132.5143.1-178.361.80000110.6R126 F134 A136 L182 Y183 F184R126-V173 HydrophobicContact CG-CG1 4.21Å; R126-V173 WeakPolarHBondContact CG-O 3.44Å; R126-V173 PolarHBondContact NE-O 3.07Å; R126-V173 PolarHBondContact NH1-O 3.02Å; R126-V173 PolarHBondContact NH2-O 3.18Å; F134-V173 HydrophobicContact CB-CG1 4.43Å; A136-V173 HydrophobicContact CB-CB 4.1Å; A136-V173 HydrophobicContact CB-CG1 4.07Å; V173-L182 HydrophobicContact CG2-CB 4.26Å; V173-L182 HydrophobicContact CG2-CD2 4.32Å; V173-Y183 CarbonylContact C-O 3.56Å; V173-Y183 WeakPolarHBondContact CA-O 3.33Å; V173-F184 HydrophobicContact CB-CB 4.2Å; V173-F184 HydrophobicContact CG2-CB 4.23Å
174A98.6Very high97.8Very high2 Ų233.2 Ų33.22%0.01717%0.174CC..EExtended strand (participates in β ladder)trans-121.8150.4167.300000108.9L182 Y183 I232 L234A174-L182 CarbonylContact O-C 3.56Å; A174-L182 WeakPolarHBondContact O-CA 2.93Å; A174-Y183 PolarHBondContact N-O 2.77Å; A174-Y183 PolarHBondContact O-N 3.18Å; A174-I232 HydrophobicContact CB-CG1 4.21Å; A174-I232 HydrophobicContact CB-CG2 4.41Å; A174-L234 HydrophobicContact CB-CB 4.04Å
175V98.1Very high97.9Very high23 Ų2330 Ų3014%0.13914%0.141CC..EExtended strand (participates in β ladder)trans-131.8139.8-17557.40000109.6R126 F134 K181 L182 L234R126-V175 HydrophobicContact CB-CG1 4Å; F134-V175 HydrophobicContact CD2-CB 4.13Å; F134-V175 HydrophobicContact CD2-CG1 4.26Å; F134-V175 HydrophobicContact CD2-CG2 3.82Å; F134-V175 HydrophobicContact CE2-CB 4.49Å; F134-V175 HydrophobicContact CE2-CG2 3.68Å; F134-V175 HydrophobicContact CZ-CG2 4.43Å; V175-K181 WeakPolarHBondContact CA-O 3.39Å; V175-L182 HydrophobicContact CB-CD2 3.61Å; V175-L182 HydrophobicContact CG2-CD2 3.5Å; V175-L234 WeakPolarHBondContact O-CD2 3.44Å
176T97.6Very high97.9Very high9 Ų927.4 Ų27.46%0.05513%0.131CC..  trans-67.5157.117251.60000111D178 G179 R180 K181 Y183 L234 Q238T176-D178 VanDerWaalsContact CB-OD1 3.25Å; T176-D178 WeakPolarHBondContact CB-OD1 3.37Å; T176-D178 PolarHBondContact O-N 3.12Å; T176-D178 PolarHBondContact OG1-OD1 3.3Å; T176-G179 WeakPolarHBondContact O-CA 3.33Å; T176-G179 PolarHBondContact O-N 3.02Å; T176-R180 PolarHBondContact OG1-N 2.97Å; T176-K181 HydrophobicContact CG2-CB 3.77Å; T176-K181 PolarHBondContact N-O 2.89Å; T176-K181 PolarHBondContact OG1-N 3.09Å; T176-K181 PolarHBondContact OG1-O 2.94Å; T176-Y183 HydrophobicContact CG2-CE2 3.98Å; T176-L234 HydrophobicContact CG2-CD2 4.03Å; T176-Q238 VanDerWaalsContact CB-OE1 3.3Å
177Q95.3Very high98Very high160 Ų16022.3 Ų22.375%0.74811%0.109SC*.THydrogen-bonded Turntrans-61.2-32.9-175.5-171.3179.81200112.7G179Q177-G179 VanDerWaalsContact C-N 3.27Å
178D95Very high98Very high103 Ų10322.2 Ų22.255%0.55111%0.108SC*.THydrogen-bonded Turntrans-80.3-6.2175.664.9-1.6000113.5T176 R180T176-D178 VanDerWaalsContact CB-OD1 3.25Å; T176-D178 WeakPolarHBondContact CB-OD1 3.37Å; T176-D178 PolarHBondContact O-N 3.12Å; T176-D178 PolarHBondContact OG1-OD1 3.3Å; D178-R180 PolarHBondContact O-N 3.27Å; D178-R180 WeakPolarHBondContact OD1-CB 3.26Å; D178-R180 PolarHBondContact OD1-N 2.83Å; D178-R180 WeakPolarHBondContact OD2-CB 3.37Å
179G95.8Very high97.9Very high7 Ų722.7 Ų22.77%0.07211%0.111CC..SBendtrans72.81.3-177.700000114.7T176 Q177 T214T176-G179 WeakPolarHBondContact O-CA 3.33Å; T176-G179 PolarHBondContact O-N 3.02Å; Q177-G179 VanDerWaalsContact C-N 3.27Å; G179-T214 WeakPolarHBondContact O-CG2 3.3Å; G179-T214 PolarHBondContact O-OG1 2.73Å
180R95.5Very high97.8Very high95 Ų9527.7 Ų27.736%0.35813%0.13SC..  trans-69.8-34.7-174.1-179.1177.7175.7143.317112.7T176 D178 D213 T214 E215T176-R180 PolarHBondContact OG1-N 2.97Å; D178-R180 PolarHBondContact O-N 3.27Å; D178-R180 WeakPolarHBondContact OD1-CB 3.26Å; D178-R180 PolarHBondContact OD1-N 2.83Å; D178-R180 WeakPolarHBondContact OD2-CB 3.37Å; R180-D213 IonicContact CZ-OD2 3.76Å; R180-D213 IonicContact NE-OD2 3.92Å; R180-D213 PolarHBondContact NE-OD2 2.98Å; R180-D213 VanDerWaalsContact NE-OD2 3.09Å; R180-D213 IonicContact NH2-OD2 2.74Å; R180-D213 CarbonylContact O-C 3.48Å; R180-D213 WeakPolarHBondContact O-CA 3.35Å; R180-T214 WeakPolarHBondContact CA-OG1 3.43Å; R180-T214 PolarHBondContact O-N 3.11Å; R180-T214 PolarHBondContact O-OG1 2.9Å; R180-E215 HydrophobicContact CG-CG 4.46Å; R180-E215 IonicContact CZ-OE2 2.87Å; R180-E215 IonicContact NE-OE2 3.26Å; R180-E215 IonicContact NH1-OE2 3.01Å; R180-E215 PolarHBondContact NH1-OE2 3.39Å; R180-E215 IonicContact NH2-OE2 3.67Å; R180-E215 PolarHBondContact NH2-OE2 2.71Å
181K98.1Very high97.8Very high50 Ų5029.1 Ų29.122%0.21714%0.136CC..EExtended strand (participates in β ladder)trans-122.9133.1-175.8-60.4-173.1168.6-161.60111.5V175 T176 Y183 E211 Y212V175-K181 WeakPolarHBondContact CA-O 3.39Å; T176-K181 HydrophobicContact CG2-CB 3.77Å; T176-K181 PolarHBondContact N-O 2.89Å; T176-K181 PolarHBondContact OG1-N 3.09Å; T176-K181 PolarHBondContact OG1-O 2.94Å; K181-Y183 HydrophobicContact CB-CE2 4.2Å; K181-Y183 VanDerWaalsContact CD-OH 3.29Å; K181-Y183 WeakPolarHBondContact CD-OH 3.4Å; K181-E211 WeakPolarHBondContact CD-OE2 3.18Å; K181-E211 IonicContact NZ-OE1 3.01Å; K181-E211 IonicContact NZ-OE2 3.59Å; K181-E211 PolarHBondContact NZ-OE2 3.02Å; K181-Y212 WeakPolarHBondContact CA-O 3.43Å
182L98.6Very high97.7Very high0 Ų031.8 Ų31.80%015%0.148CC..EExtended strand (participates in β ladder)trans-108.5131.2169.5-56.3175.6000109F134 V142 L155 V173 A174 V175 E211 Y212 T214F134-L182 HydrophobicContact CB-CD2 4.23Å; F134-L182 HydrophobicContact CD1-CD1 3.63Å; F134-L182 HydrophobicContact CD1-CD2 3.63Å; F134-L182 HydrophobicContact CD1-CG 4.25Å; F134-L182 HydrophobicContact CD2-CD2 3.99Å; F134-L182 HydrophobicContact CE1-CD1 3.88Å; F134-L182 HydrophobicContact CE1-CD2 3.89Å; F134-L182 HydrophobicContact CE1-CG 4.37Å; F134-L182 HydrophobicContact CE2-CD2 4.23Å; F134-L182 HydrophobicContact CG-CD1 4.41Å; F134-L182 HydrophobicContact CG-CD2 3.67Å; F134-L182 HydrophobicContact CZ-CD2 4.18Å; V142-L182 HydrophobicContact CG1-CD1 4.07Å; L155-L182 HydrophobicContact CD1-CD1 3.51Å; V173-L182 HydrophobicContact CG2-CB 4.26Å; V173-L182 HydrophobicContact CG2-CD2 4.32Å; A174-L182 CarbonylContact O-C 3.56Å; A174-L182 WeakPolarHBondContact O-CA 2.93Å; V175-L182 HydrophobicContact CB-CD2 3.61Å; V175-L182 HydrophobicContact CG2-CD2 3.5Å; L182-E211 CarbonylContact O-C 3.53Å; L182-E211 WeakPolarHBondContact O-CA 3.3Å; L182-Y212 HydrophobicContact CD1-CD1 4.04Å; L182-Y212 PolarHBondContact N-O 3.12Å; L182-Y212 PolarHBondContact O-N 3.11Å; L182-T214 HydrophobicContact CD1-CG2 4.37Å; L182-T214 HydrophobicContact CG-CG2 4.32Å
183Y98.9Very high97.6Very high2 Ų232.7 Ų32.71%0.00815%0.152CC..EExtended strand (participates in β ladder)trans-111.7125.8170-60.1-70.8000108.6V173 A174 T176 K181 L210 E211 L234 V241 V256V173-Y183 CarbonylContact C-O 3.56Å; V173-Y183 WeakPolarHBondContact CA-O 3.33Å; A174-Y183 PolarHBondContact N-O 2.77Å; A174-Y183 PolarHBondContact O-N 3.18Å; T176-Y183 HydrophobicContact CG2-CE2 3.98Å; K181-Y183 HydrophobicContact CB-CE2 4.2Å; K181-Y183 VanDerWaalsContact CD-OH 3.29Å; K181-Y183 WeakPolarHBondContact CD-OH 3.4Å; Y183-L210 VanDerWaalsContact CA-O 3.27Å; Y183-L210 WeakPolarHBondContact CA-O 3.25Å; Y183-E211 HydrophobicContact CD1-CB 3.91Å; Y183-E211 HydrophobicContact CD1-CG 4.18Å; Y183-E211 HydrophobicContact CE1-CB 3.7Å; Y183-E211 HydrophobicContact CE1-CG 3.56Å; Y183-E211 WeakPolarHBondContact CE1-OE2 3.28Å; Y183-E211 PolarHBondContact OH-OE2 3.47Å; Y183-L234 HydrophobicContact CD2-CD1 3.99Å; Y183-L234 HydrophobicContact CE2-CD1 4.02Å; Y183-V241 HydrophobicContact CD2-CG1 4.02Å; Y183-V241 HydrophobicContact CG-CG1 4.05Å; Y183-V256 HydrophobicContact CD1-CB 4.03Å; Y183-V256 HydrophobicContact CD1-CG1 3.91Å; Y183-V256 HydrophobicContact CD1-CG2 4.46Å; Y183-V256 HydrophobicContact CD2-CG2 4.29Å; Y183-V256 HydrophobicContact CE1-CB 3.49Å; Y183-V256 VanDerWaalsContact CE1-CB 3.49Å; Y183-V256 HydrophobicContact CE1-CG1 3.89Å; Y183-V256 HydrophobicContact CE1-CG2 3.93Å; Y183-V256 HydrophobicContact CE2-CB 4.25Å; Y183-V256 HydrophobicContact CE2-CG2 3.72Å; Y183-V256 HydrophobicContact CG-CG1 4.39Å
184F98.9Very high97.5Very high0 Ų035.5 Ų35.50%016%0.162CC..EExtended strand (participates in β ladder)trans-140157.2-178.266.1-86.2000111.9V142 V156 L167 I170 D172 V173 V209 L210 L219V142-F184 HydrophobicContact CG2-CD1 4.14Å; V142-F184 HydrophobicContact CG2-CD2 4.1Å; V142-F184 HydrophobicContact CG2-CE1 4.33Å; V142-F184 HydrophobicContact CG2-CE2 4.28Å; V142-F184 HydrophobicContact CG2-CG 4Å; V142-F184 HydrophobicContact CG2-CZ 4.38Å; V156-F184 HydrophobicContact CG1-CZ 4Å; V156-F184 HydrophobicContact CG2-CE1 4.25Å; V156-F184 HydrophobicContact CG2-CZ 4.33Å; L167-F184 HydrophobicContact CD1-CE2 4.42Å; L167-F184 HydrophobicContact CD1-CZ 4.47Å; L167-F184 HydrophobicContact CD2-CE2 4.31Å; I170-F184 HydrophobicContact CD1-CE2 4.31Å; I170-F184 HydrophobicContact CG1-CD2 4.35Å; I170-F184 HydrophobicContact CG1-CE2 4.18Å; I170-F184 HydrophobicContact CG2-CD2 4.01Å; D172-F184 VanDerWaalsContact O-CA 3.26Å; D172-F184 WeakPolarHBondContact O-CA 3.33Å; D172-F184 VanDerWaalsContact O-CB 3.3Å; D172-F184 WeakPolarHBondContact O-CB 3.49Å; V173-F184 HydrophobicContact CB-CB 4.2Å; V173-F184 HydrophobicContact CG2-CB 4.23Å; F184-V209 WeakPolarHBondContact O-CA 3.34Å; F184-L210 HydrophobicContact CD1-CB 4.11Å; F184-L210 HydrophobicContact CD2-CB 4.32Å; F184-L210 HydrophobicContact CD2-CD1 4.3Å; F184-L210 HydrophobicContact CE1-CB 3.61Å; F184-L210 HydrophobicContact CE2-CB 3.86Å; F184-L210 HydrophobicContact CE2-CD1 3.81Å; F184-L210 HydrophobicContact CE2-CD2 4.3Å; F184-L210 HydrophobicContact CE2-CG 4.2Å; F184-L210 HydrophobicContact CG-CB 4.45Å; F184-L210 HydrophobicContact CZ-CB 3.49Å; F184-L210 VanDerWaalsContact CZ-CB 3.49Å; F184-L210 HydrophobicContact CZ-CD1 4.23Å; F184-L210 HydrophobicContact CZ-CD2 3.98Å; F184-L210 HydrophobicContact CZ-CG 4.1Å; F184-L210 PolarHBondContact N-O 2.84Å; F184-L210 PolarHBondContact O-N 2.87Å; F184-L219 HydrophobicContact CE1-CD1 3.74Å; F184-L219 HydrophobicContact CZ-CD1 3.7Å
185T98.9Very high97.4Very high0 Ų036.9 Ų36.90%017%0.169CC..EExtended strand (participates in β ladder)trans-95.8138.8179.449.10000110.8I170 N171 D172 R208 P229 N230 I232 V243I170-T185 VanDerWaalsContact CA-O 3.3Å; I170-T185 WeakPolarHBondContact CA-O 3.48Å; N171-T185 PolarHBondContact N-O 3.38Å; D172-T185 PolarHBondContact N-OG1 3.23Å; D172-T185 VanDerWaalsContact N-OG1 3.12Å; D172-T185 PolarHBondContact O-N 3.43Å; D172-T185 VanDerWaalsContact O-N 3.11Å; D172-T185 PolarHBondContact O-OG1 3.08Å; T185-R208 WeakPolarHBondContact CA-O 3.37Å; T185-P229 HydrophobicContact CG2-CB 3.95Å; T185-N230 PolarHBondContact OG1-O 3.15Å; T185-I232 HydrophobicContact CG2-CB 3.86Å; T185-I232 HydrophobicContact CG2-CD1 4.19Å; T185-I232 HydrophobicContact CG2-CG2 4.21Å; T185-V243 HydrophobicContact CG2-CG1 3.94Å
186D98.8Very high97.2Very high0 Ų037.2 Ų37.20%017%0.168CC..EExtended strand (participates in β ladder)trans-112.3103163.2176.441.6000106.9L167 S168 F169 S188 G207 R208 L210 P229L167-D186 HydrophobicContact CD2-CB 3.94Å; S168-D186 PolarHBondContact N-OD1 2.94Å; F169-D186 PolarHBondContact N-OD1 3.02Å; F169-D186 CarbonylContact O-C 3.54Å; F169-D186 WeakPolarHBondContact O-CA 3.39Å; D186-S188 VanDerWaalsContact C-N 3.3Å; D186-S188 PolarHBondContact O-N 3.49Å; D186-S188 VanDerWaalsContact OD1-O 3.13Å; D186-G207 CarbonylContact O-C 3.57Å; D186-G207 WeakPolarHBondContact O-CA 3.48Å; D186-R208 HydrophobicContact CB-CB 4.43Å; D186-R208 PolarHBondContact N-O 3.03Å; D186-R208 PolarHBondContact O-N 2.92Å; D186-R208 IonicContact OD2-CZ 2.7Å; D186-R208 VanDerWaalsContact OD2-CZ 3.26Å; D186-R208 IonicContact OD2-NE 3.59Å; D186-R208 PolarHBondContact OD2-NE 3.22Å; D186-R208 IonicContact OD2-NH2 3.38Å; D186-R208 PolarHBondContact OD2-NH2 2.99Å; D186-L210 HydrophobicContact CB-CD1 3.69Å; D186-P229 WeakPolarHBondContact O-CG 3.48Å
187S98.8Very high97.1Very high0 Ų037.7 Ų37.70%017%0.17CC..  trans-64.3-31.2-172-71.30000113.3F169 N171 F228 P229F169-S187 WeakPolarHBondContact O-CB 3.39Å; F169-S187 PolarHBondContact O-N 3.3Å; N171-S187 WeakPolarHBondContact CB-OG 3.25Å; N171-S187 PolarHBondContact ND2-OG 3.11Å; N171-S187 VanDerWaalsContact ND2-OG 3.15Å; S187-F228 WeakPolarHBondContact OG-CD2 3.34Å; S187-F228 WeakPolarHBondContact OG-CE2 3.49Å; S187-P229 WeakPolarHBondContact CA-O 3.47Å; S187-P229 PolarHBondContact OG-O 3.18Å
188S98.6Very high97.2Very high0 Ų030.9 Ų30.90%014%0.138CC..  trans-159.7146.5173.3178.70000110.3S168 F169 D186 R190 W191 L199 D206S168-S188 WeakPolarHBondContact CB-O 3.45Å; F169-S188 PolarHBondContact N-O 3.21Å; D186-S188 VanDerWaalsContact C-N 3.3Å; D186-S188 PolarHBondContact O-N 3.49Å; D186-S188 VanDerWaalsContact OD1-O 3.13Å; S188-R190 PolarHBondContact OG-N 2.86Å; S188-R190 VanDerWaalsContact OG-N 3.08Å; S188-W191 PolarHBondContact OG-N 3.32Å; S188-L199 VanDerWaalsContact CB-CD1 3.43Å; S188-D206 PolarHBondContact OG-OD1 3.23Å; S188-D206 PolarHBondContact OG-OD2 2.61Å
189S97.5Very high97.3Very high24 Ų2426.1 Ų26.117%0.16811%0.113CC..SBendtrans-85.4-15.5171.467.20000113.2K166 S168 D206K166-S189 WeakPolarHBondContact O-CA 3.16Å; S168-S189 WeakPolarHBondContact CB-O 3.37Å; S168-S189 PolarHBondContact OG-O 2.64Å; S189-D206 WeakPolarHBondContact CA-OD2 3.49Å; S189-D206 PolarHBondContact N-OD2 3.11Å; S189-D206 PolarHBondContact OG-OD2 2.99Å
190R96.1Very high97.4Very high106 Ų10627 Ų2740%0.412%0.116SC..SBendtrans-105.4-50.9-178.3177.2-180172.1-163.6-8.6113.2P34 S188 E202 D206P34-R190 PolarHBondContact O-NH2 3.21Å; S188-R190 PolarHBondContact OG-N 2.86Å; S188-R190 VanDerWaalsContact OG-N 3.08Å; R190-E202 IonicContact CZ-OE1 2.68Å; R190-E202 IonicContact CZ-OE2 3.49Å; R190-E202 IonicContact NE-OE1 3.21Å; R190-E202 IonicContact NH1-OE1 3.95Å; R190-E202 PolarHBondContact NH1-OE1 2.85Å; R190-E202 IonicContact NH1-OE2 2.72Å; R190-E202 PolarHBondContact NH1-OE2 2.79Å; R190-E202 IonicContact NH2-OE2 2.7Å; R190-D206 PolarHBondContact N-OD2 3.03Å
191W97.8Very high97.4Very high30 Ų3023 Ų2311%0.11410%0.101CC..  trans-93.4140.9-173-64.9107.3000110.9P34 I35 F169 S188 D195 H198 L199 E202P34-W191 WeakPolarHBondContact O-CH2 3.27Å; P34-W191 WeakPolarHBondContact O-CZ2 3.34Å; I35-W191 HydrophobicContact CG2-CZ2 4.06Å; F169-W191 VanDerWaalsContact CB-O 3.31Å; F169-W191 WeakPolarHBondContact CB-O 3.34Å; S188-W191 PolarHBondContact OG-N 3.32Å; W191-D195 HydrophobicContact CD2-CB 4.49Å; W191-D195 HydrophobicContact CE3-CB 3.64Å; W191-D195 HydrophobicContact CZ3-CB 4.25Å; W191-H198 HydrophobicContact CD2-CB 3.8Å; W191-H198 HydrophobicContact CE3-CB 3.83Å; W191-H198 HydrophobicContact CH2-CB 3.81Å; W191-H198 AromaticContact CH2-CD2 3.81Å; W191-H198 AromaticContact CH2-CG 3.98Å; W191-H198 HydrophobicContact CZ2-CB 3.79Å; W191-H198 HydrophobicContact CZ3-CB 3.84Å; W191-H198 AromaticContact CZ3-CG 3.97Å; W191-L199 HydrophobicContact CB-CB 3.93Å; W191-L199 HydrophobicContact CB-CD1 4.31Å; W191-L199 HydrophobicContact CB-CG 4.34Å; W191-L199 HydrophobicContact CG-CB 4.1Å; W191-E202 VanDerWaalsContact NE1-CD 3.31Å; W191-E202 PolarHBondContact NE1-OE1 3.45Å
192Q97.6Very high97.3Very high57 Ų5720.7 Ų20.727%0.2669%0.091SC..  trans-92.4168.6172.6-59.8-173.9-49.200111.1Y139 R194 D195Y139-Q192 HydrophobicContact CD1-CB 4.39Å; Y139-Q192 HydrophobicContact CE1-CB 3.7Å; Y139-Q192 HydrophobicContact CE1-CG 4.28Å; Q192-R194 VanDerWaalsContact C-N 3.3Å; Q192-R194 PolarHBondContact O-N 2.92Å; Q192-D195 CarbonylContact O-C 3.51Å; Q192-D195 WeakPolarHBondContact O-CA 3.4Å; Q192-D195 PolarHBondContact O-N 3.08Å
193R96.6Very high97.2Very high19 Ų1920.8 Ų20.87%0.0729%0.092CC..G310 helixtrans-54.7-38.1-178.1172.959.2-179.563.58.6114.4E73 R121 L123 A138 Y139 F169 D195 Y196E73-R193 IonicContact OE2-NH2 3.26Å; R121-R193 HydrophobicContact CG-CG 4.47Å; L123-R193 HydrophobicContact CD1-CG 4.2Å; L123-R193 HydrophobicContact CD2-CG 4.4Å; A138-R193 HydrophobicContact CB-CB 3.69Å; A138-R193 HydrophobicContact CB-CG 4.15Å; Y139-R193 HydrophobicContact CE2-CB 3.9Å; Y139-R193 HydrophobicContact CE2-CG 4.48Å; F169-R193 HydrophobicContact CD1-CB 4.49Å; F169-R193 HydrophobicContact CD2-CB 3.82Å; F169-R193 HydrophobicContact CE1-CB 4.35Å; F169-R193 HydrophobicContact CE2-CB 3.71Å; F169-R193 VanDerWaalsContact CE2-CD 3.45Å; F169-R193 HydrophobicContact CE2-CG 4.07Å; F169-R193 HydrophobicContact CG-CB 4.28Å; F169-R193 HydrophobicContact CZ-CB 4Å; F169-R193 HydrophobicContact CZ-CG 4.19Å; R193-D195 PolarHBondContact O-N 2.81Å; R193-Y196 WeakPolarHBondContact O-CD1 3.49Å; R193-Y196 PolarHBondContact O-N 2.87Å
194R95.8Very high97.1Very high59 Ų5922.3 Ų22.322%0.22310%0.101CC..G310 helixtrans-62.4-25.8177.562.8174.6174.7-166-13.8112.1R113 E114 Y139 Q192R113-R194 HydrophobicContact CG-CB 3.82Å; R113-R194 PolarHBondContact NE-O 3.17Å; R113-R194 VanDerWaalsContact NE-O 3.11Å; R113-R194 PolarHBondContact NH2-O 2.78Å; E114-R194 WeakPolarHBondContact OE2-CD 3.46Å; E114-R194 IonicContact OE2-CZ 2.95Å; E114-R194 IonicContact OE2-NE 2.7Å; E114-R194 IonicContact OE2-NH1 2.98Å; E114-R194 PolarHBondContact OE2-NH1 3.01Å; Y139-R194 WeakPolarHBondContact OH-CB 3.41Å; Y139-R194 PolarHBondContact OH-N 3.37Å; Q192-R194 VanDerWaalsContact C-N 3.3Å; Q192-R194 PolarHBondContact O-N 2.92Å
195D96.2Very high97Very high30 Ų3023.3 Ų23.316%0.1611%0.11CC..G310 helixtrans-10320-176.7-60.6-54.6000113.3R113 W191 Q192 R193 L197 H198 L199 Q321R113-D195 IonicContact NH2-OD1 3.99Å; W191-D195 HydrophobicContact CD2-CB 4.49Å; W191-D195 HydrophobicContact CE3-CB 3.64Å; W191-D195 HydrophobicContact CZ3-CB 4.25Å; Q192-D195 CarbonylContact O-C 3.51Å; Q192-D195 WeakPolarHBondContact O-CA 3.4Å; Q192-D195 PolarHBondContact O-N 3.08Å; R193-D195 PolarHBondContact O-N 2.81Å; D195-L197 PolarHBondContact O-N 3.46Å; D195-H198 HydrophobicContact CB-CB 4.46Å; D195-H198 WeakPolarHBondContact O-CA 3.38Å; D195-H198 VanDerWaalsContact O-CB 3.28Å; D195-H198 WeakPolarHBondContact O-CB 3.3Å; D195-H198 PolarHBondContact O-N 3.13Å; D195-L199 PolarHBondContact O-N 2.92Å; D195-Q321 PolarHBondContact OD1-NE2 3.4Å
196Y95.3Very high97Very high30 Ų3024 Ų2412%0.11811%0.113CC..Hα-helixtrans-54.6-27.4-175.275.7-86.6000114.3R193 L199 I200 I325 R374R193-Y196 WeakPolarHBondContact O-CD1 3.49Å; R193-Y196 PolarHBondContact O-N 2.87Å; Y196-L199 WeakPolarHBondContact O-CB 3.32Å; Y196-L199 PolarHBondContact O-N 3.09Å; Y196-I200 HydrophobicContact CD2-CD1 3.9Å; Y196-I200 HydrophobicContact CE2-CD1 4.35Å; Y196-I200 WeakPolarHBondContact O-CG1 3.42Å; Y196-I200 PolarHBondContact O-N 3.27Å; Y196-I325 WeakPolarHBondContact OH-CD1 3.29Å; Y196-R374 PolarHBondContact OH-NH2 2.85Å
197L95.4Very high96.9Very high19 Ų1924 Ų2410%0.09911%0.113CC..Hα-helixtrans-70.7-34.3176.2-168.365.4000111.6D195 L199 M201 F316 Q321 L324D195-L197 PolarHBondContact O-N 3.46Å; L197-L199 VanDerWaalsContact C-N 3.35Å; L197-M201 HydrophobicContact CD1-CG 4.46Å; L197-M201 HydrophobicContact CG-CG 4.47Å; L197-M201 WeakPolarHBondContact O-CB 3.39Å; L197-M201 WeakPolarHBondContact O-CG 3.45Å; L197-M201 PolarHBondContact O-N 3.39Å; L197-M201 VanDerWaalsContact O-N 3.08Å; L197-F316 HydrophobicContact CD2-CZ 4.2Å; L197-F316 HydrophobicContact CG-CZ 4.07Å; L197-Q321 HydrophobicContact CB-CB 4.15Å; L197-Q321 HydrophobicContact CD2-CB 3.82Å; L197-L324 HydrophobicContact CD2-CB 3.92Å
198H97.2Very high96.9Very high17 Ų1724 Ų248%0.07911%0.113CC..Hα-helixtrans-62.9-45170.7-68.480.1000110.1I35 W191 D195 I200 M201 E202 F316 Q321I35-H198 HydrophobicContact CG2-CB 3.76Å; W191-H198 HydrophobicContact CD2-CB 3.8Å; W191-H198 HydrophobicContact CE3-CB 3.83Å; W191-H198 HydrophobicContact CH2-CB 3.81Å; W191-H198 AromaticContact CH2-CD2 3.81Å; W191-H198 AromaticContact CH2-CG 3.98Å; W191-H198 HydrophobicContact CZ2-CB 3.79Å; W191-H198 HydrophobicContact CZ3-CB 3.84Å; W191-H198 AromaticContact CZ3-CG 3.97Å; D195-H198 HydrophobicContact CB-CB 4.46Å; D195-H198 WeakPolarHBondContact O-CA 3.38Å; D195-H198 VanDerWaalsContact O-CB 3.28Å; D195-H198 WeakPolarHBondContact O-CB 3.3Å; D195-H198 PolarHBondContact O-N 3.13Å; H198-I200 PolarHBondContact O-N 3.24Å; H198-M201 PolarHBondContact O-N 2.98Å; H198-E202 WeakPolarHBondContact O-CB 3.26Å; H198-E202 PolarHBondContact O-N 3.22Å; H198-F316 AromaticContact CD2-CD1 3.81Å; H198-F316 AromaticContact CD2-CE1 3.93Å; H198-F316 AromaticContact NE2-CD1 3.61Å; H198-F316 AromaticContact NE2-CE1 3.85Å; H198-Q321 PolarHBondContact CE1-NE2 3.13Å; H198-Q321 PolarHBondContact ND1-NE2 3.05Å; H198-Q321 VanDerWaalsContact ND1-NE2 3.19Å; H198-Q321 PolarHBondContact ND1-OE1 3.48Å
199L97.4Very high97Very high4 Ų424 Ų242%0.02111%0.113CC..Hα-helixtrans-56.2-52.3176.3-170.9173.6000111.7F169 S188 W191 D195 Y196 L197 M201 E202 A203 F228F169-L199 HydrophobicContact CD1-CD1 3.7Å; F169-L199 HydrophobicContact CE1-CD1 3.94Å; S188-L199 VanDerWaalsContact CB-CD1 3.43Å; W191-L199 HydrophobicContact CB-CB 3.93Å; W191-L199 HydrophobicContact CB-CD1 4.31Å; W191-L199 HydrophobicContact CB-CG 4.34Å; W191-L199 HydrophobicContact CG-CB 4.1Å; D195-L199 PolarHBondContact O-N 2.92Å; Y196-L199 WeakPolarHBondContact O-CB 3.32Å; Y196-L199 PolarHBondContact O-N 3.09Å; L197-L199 VanDerWaalsContact C-N 3.35Å; L199-M201 VanDerWaalsContact C-N 3.31Å; L199-M201 PolarHBondContact O-N 2.91Å; L199-E202 PolarHBondContact O-N 2.79Å; L199-A203 PolarHBondContact O-N 2.79Å; L199-F228 HydrophobicContact CD1-CD2 4.31Å; L199-F228 HydrophobicContact CD1-CE2 4.46Å; L199-F228 HydrophobicContact CD1-CG 4.34Å; L199-F228 HydrophobicContact CD2-CB 3.46Å; L199-F228 VanDerWaalsContact CD2-CB 3.46Å; L199-F228 HydrophobicContact CD2-CD1 3.52Å; L199-F228 HydrophobicContact CD2-CD2 4.22Å; L199-F228 HydrophobicContact CD2-CE1 4.27Å; L199-F228 HydrophobicContact CD2-CG 3.47Å; L199-F228 VanDerWaalsContact CD2-CG 3.47Å
200I96.4Very high97Very high25 Ų2522.9 Ų22.913%0.12811%0.105CC..Hα-helixtrans-57.9-45.3178.7-70.1167.2000111.2Y196 H198 F228 L302Y196-I200 HydrophobicContact CD2-CD1 3.9Å; Y196-I200 HydrophobicContact CE2-CD1 4.35Å; Y196-I200 WeakPolarHBondContact O-CG1 3.42Å; Y196-I200 PolarHBondContact O-N 3.27Å; H198-I200 PolarHBondContact O-N 3.24Å; I200-F228 HydrophobicContact CD1-CD1 4.36Å; I200-F228 HydrophobicContact CD1-CE1 3.96Å; I200-F228 HydrophobicContact CG1-CD1 3.62Å; I200-F228 HydrophobicContact CG1-CE1 3.66Å; I200-L302 HydrophobicContact CG2-CD1 3.84Å; I200-L302 HydrophobicContact CG2-CD2 3.86Å
201M96.5Very high97.1Very high10 Ų1018.6 Ų18.65%0.0499%0.09CC..Hα-helixtrans-76.6-33.3-173.9-67-64.1-76.700112I35 L197 H198 L199 L302 L305 K312 F316I35-M201 HydrophobicContact CD1-CB 4.01Å; L197-M201 HydrophobicContact CD1-CG 4.46Å; L197-M201 HydrophobicContact CG-CG 4.47Å; L197-M201 WeakPolarHBondContact O-CB 3.39Å; L197-M201 WeakPolarHBondContact O-CG 3.45Å; L197-M201 PolarHBondContact O-N 3.39Å; L197-M201 VanDerWaalsContact O-N 3.08Å; H198-M201 PolarHBondContact O-N 2.98Å; L199-M201 VanDerWaalsContact C-N 3.31Å; L199-M201 PolarHBondContact O-N 2.91Å; M201-L302 HydrophobicContact SD-CD2 3.39Å; M201-L302 WeakPolarHBondContact SD-CD2 3.4Å; M201-L305 HydrophobicContact CE-CB 4.46Å; M201-L305 HydrophobicContact CE-CD1 3.44Å; M201-L305 VanDerWaalsContact CE-CD1 3.44Å; M201-K312 HydrophobicContact CB-CD 4.44Å; M201-K312 HydrophobicContact CE-CB 4.29Å; M201-K312 HydrophobicContact CE-CD 4.08Å; M201-K312 HydrophobicContact CE-CG 3.91Å; M201-K312 WeakPolarHBondContact O-CD 3.48Å; M201-K312 WeakPolarHBondContact O-CE 3.38Å; M201-K312 PolarHBondContact O-NZ 2.88Å; M201-F316 HydrophobicContact CB-CE2 3.75Å; M201-F316 HydrophobicContact CB-CZ 3.93Å; M201-F316 HydrophobicContact CE-CE2 3.82Å; M201-F316 HydrophobicContact CG-CE2 3.55Å; M201-F316 HydrophobicContact CG-CZ 3.62Å
202E96.6Very high97.2Very high3 Ų317.8 Ų17.81%0.0149%0.087CC..Hα-helixtrans-69.3-41.1173.7-169.9162.299.500111.5I35 Q36 P37 E38 R190 W191 H198 L199 T204I35-E202 WeakPolarHBondContact CA-OE2 3.46Å; I35-E202 HydrophobicContact CB-CB 4.24Å; I35-E202 HydrophobicContact CG2-CB 4.21Å; Q36-E202 PolarHBondContact N-OE2 2.89Å; P37-E202 WeakPolarHBondContact CA-O 3.33Å; E38-E202 PolarHBondContact N-O 2.87Å; R190-E202 IonicContact CZ-OE1 2.68Å; R190-E202 IonicContact CZ-OE2 3.49Å; R190-E202 IonicContact NE-OE1 3.21Å; R190-E202 IonicContact NH1-OE1 3.95Å; R190-E202 PolarHBondContact NH1-OE1 2.85Å; R190-E202 IonicContact NH1-OE2 2.72Å; R190-E202 PolarHBondContact NH1-OE2 2.79Å; R190-E202 IonicContact NH2-OE2 2.7Å; W191-E202 VanDerWaalsContact NE1-CD 3.31Å; W191-E202 PolarHBondContact NE1-OE1 3.45Å; H198-E202 WeakPolarHBondContact O-CB 3.26Å; H198-E202 PolarHBondContact O-N 3.22Å; L199-E202 PolarHBondContact O-N 2.79Å; E202-T204 WeakPolarHBondContact CG-OG1 3.37Å; E202-T204 PolarHBondContact O-N 3.43Å
203A96.1Very high97.2Very high1 Ų115.9 Ų15.91%0.0088%0.079CC..  trans56.528.6176.400000114.4F40 L199 R227 T247F40-A203 HydrophobicContact CD1-CB 3.48Å; F40-A203 VanDerWaalsContact CD1-CB 3.48Å; F40-A203 HydrophobicContact CE1-CB 3.39Å; F40-A203 HydrophobicContact CG-CB 4.41Å; F40-A203 HydrophobicContact CZ-CB 4.25Å; L199-A203 PolarHBondContact O-N 2.79Å; A203-R227 WeakPolarHBondContact O-CD 3.39Å; A203-R227 PolarHBondContact O-NE 3.04Å; A203-T247 HydrophobicContact CB-CG2 3.66Å
204T96.5Very high97.3Very high34 Ų3417.1 Ų17.121%0.2099%0.089CC..  trans-63139.4171.2-62.50000110.3E202 D206E202-T204 WeakPolarHBondContact CG-OG1 3.37Å; E202-T204 PolarHBondContact O-N 3.43Å; T204-D206 VanDerWaalsContact C-N 3.28Å; T204-D206 HydrophobicContact CG2-CB 3.9Å; T204-D206 PolarHBondContact O-N 2.87Å
205A97.3Very high97.3Very high21 Ų2120.6 Ų20.617%0.17411%0.107CC..SBendtrans-86.863.417500000110.8N225 R227A205-N225 HydrophobicContact CB-CB 4.48Å; A205-N225 WeakPolarHBondContact O-CA 3.44Å; A205-R227 HydrophobicContact CB-CG 3.81Å
206D97.7Very high97.4Very high15 Ų1523 Ų238%0.0812%0.123CC..  trans-111.31.5-179.873.6-32.9000114.2R165 S188 S189 R190 T204R165-D206 PolarHBondContact NH1-O 3.16Å; S188-D206 PolarHBondContact OG-OD1 3.23Å; S188-D206 PolarHBondContact OG-OD2 2.61Å; S189-D206 WeakPolarHBondContact CA-OD2 3.49Å; S189-D206 PolarHBondContact N-OD2 3.11Å; S189-D206 PolarHBondContact OG-OD2 2.99Å; R190-D206 PolarHBondContact N-OD2 3.03Å; T204-D206 VanDerWaalsContact C-N 3.28Å; T204-D206 HydrophobicContact CG2-CB 3.9Å; T204-D206 PolarHBondContact O-N 2.87Å
207G98.6Very high97.5Very high0 Ų030.7 Ų30.70%015%0.152CC..EExtended strand (participates in β ladder)trans-75.4155.917700000113.3D186 N225 L226D186-G207 CarbonylContact O-C 3.57Å; D186-G207 WeakPolarHBondContact O-CA 3.48Å; G207-N225 PolarHBondContact O-N 2.86Å; G207-L226 VanDerWaalsContact CA-O 3.31Å; G207-L226 WeakPolarHBondContact CA-O 3.21Å; G207-L226 PolarHBondContact N-O 3.1Å; G207-L226 PolarHBondContact O-N 2.77Å; G207-L226 VanDerWaalsContact O-N 3.1Å
208R98.6Very high97.6Very high0 Ų035.6 Ų35.60%017%0.174CC..EExtended strand (participates in β ladder)trans-142.9160.3-169.3-57.7177.3-72.6179.6-6.4113.5V162 R165 K166 T185 D186 L210 V221 M223 E224V162-R208 PolarHBondContact O-NH1 2.96Å; R165-R208 PolarHBondContact O-NH1 2.85Å; R165-R208 PolarHBondContact O-NH2 2.78Å; K166-R208 PolarHBondContact O-NH2 2.98Å; T185-R208 WeakPolarHBondContact CA-O 3.37Å; D186-R208 HydrophobicContact CB-CB 4.43Å; D186-R208 PolarHBondContact N-O 3.03Å; D186-R208 PolarHBondContact O-N 2.92Å; D186-R208 IonicContact OD2-CZ 2.7Å; D186-R208 VanDerWaalsContact OD2-CZ 3.26Å; D186-R208 IonicContact OD2-NE 3.59Å; D186-R208 PolarHBondContact OD2-NE 3.22Å; D186-R208 IonicContact OD2-NH2 3.38Å; D186-R208 PolarHBondContact OD2-NH2 2.99Å; R208-L210 HydrophobicContact CB-CD1 4.04Å; R208-V221 HydrophobicContact CB-CG1 4.41Å; R208-V221 HydrophobicContact CG-CG1 4.45Å; R208-M223 CarbonylContact C-O 3.57Å; R208-M223 VanDerWaalsContact CA-O 3.25Å; R208-M223 WeakPolarHBondContact CA-O 3.34Å; R208-M223 WeakPolarHBondContact CB-O 3.39Å; R208-E224 HydrophobicContact CG-CB 4.27Å
209V98.8Very high97.7Very high0 Ų036.4 Ų36.40%018%0.179CC..EExtended strand (participates in β ladder)trans-111.2131161-179.50000108.1F184 V222 M223 L226 I232 V241 V243 V254F184-V209 WeakPolarHBondContact O-CA 3.34Å; V209-V222 PolarHBondContact O-N 2.89Å; V209-M223 HydrophobicContact CB-CB 4.06Å; V209-M223 HydrophobicContact CG2-CB 4.23Å; V209-M223 PolarHBondContact N-O 2.9Å; V209-M223 PolarHBondContact O-N 3.04Å; V209-L226 HydrophobicContact CG2-CD1 3.77Å; V209-I232 HydrophobicContact CG1-CD1 3.96Å; V209-V241 HydrophobicContact CG1-CG2 4.44Å; V209-V243 HydrophobicContact CG2-CG1 4.38Å; V209-V243 HydrophobicContact CG2-CG2 3.72Å; V209-V254 HydrophobicContact CG2-CG2 4.46Å
210L98.8Very high97.7Very high0 Ų038 Ų380%019%0.189CC..EExtended strand (participates in β ladder)trans-115.2150.3178.2-66.797.9000111.2V162 L167 Y183 F184 D186 R208 L219 T220 V221V162-L210 HydrophobicContact CB-CD2 4.15Å; V162-L210 HydrophobicContact CG1-CD2 3.95Å; V162-L210 HydrophobicContact CG2-CD2 4.3Å; L167-L210 HydrophobicContact CD2-CD1 3.84Å; L167-L210 HydrophobicContact CD2-CD2 3.75Å; L167-L210 HydrophobicContact CD2-CG 4.48Å; Y183-L210 VanDerWaalsContact CA-O 3.27Å; Y183-L210 WeakPolarHBondContact CA-O 3.25Å; F184-L210 HydrophobicContact CD1-CB 4.11Å; F184-L210 HydrophobicContact CD2-CB 4.32Å; F184-L210 HydrophobicContact CD2-CD1 4.3Å; F184-L210 HydrophobicContact CE1-CB 3.61Å; F184-L210 HydrophobicContact CE2-CB 3.86Å; F184-L210 HydrophobicContact CE2-CD1 3.81Å; F184-L210 HydrophobicContact CE2-CD2 4.3Å; F184-L210 HydrophobicContact CE2-CG 4.2Å; F184-L210 HydrophobicContact CG-CB 4.45Å; F184-L210 HydrophobicContact CZ-CB 3.49Å; F184-L210 VanDerWaalsContact CZ-CB 3.49Å; F184-L210 HydrophobicContact CZ-CD1 4.23Å; F184-L210 HydrophobicContact CZ-CD2 3.98Å; F184-L210 HydrophobicContact CZ-CG 4.1Å; F184-L210 PolarHBondContact N-O 2.84Å; F184-L210 PolarHBondContact O-N 2.87Å; D186-L210 HydrophobicContact CB-CD1 3.69Å; R208-L210 HydrophobicContact CB-CD1 4.04Å; L210-L219 HydrophobicContact CB-CD1 4.14Å; L210-L219 HydrophobicContact CD2-CD1 3.88Å; L210-L219 HydrophobicContact CD2-CG 4.3Å; L210-T220 CarbonylContact C-O 3.54Å; L210-T220 VanDerWaalsContact CA-O 3.22Å; L210-T220 WeakPolarHBondContact CA-O 3.44Å; L210-T220 WeakPolarHBondContact CB-O 3.41Å; L210-V221 HydrophobicContact CD2-CG2 4.3Å; L210-V221 HydrophobicContact CG-CG2 4.46Å
211E98.8Very high97.8Very high17 Ų1739.1 Ų39.18%0.07920%0.197CC..EExtended strand (participates in β ladder)trans-112.6130.4170.8176.4176.574.800108.5K181 L182 Y183 L219 T220 V222 K261K181-E211 WeakPolarHBondContact CD-OE2 3.18Å; K181-E211 IonicContact NZ-OE1 3.01Å; K181-E211 IonicContact NZ-OE2 3.59Å; K181-E211 PolarHBondContact NZ-OE2 3.02Å; L182-E211 CarbonylContact O-C 3.53Å; L182-E211 WeakPolarHBondContact O-CA 3.3Å; Y183-E211 HydrophobicContact CD1-CB 3.91Å; Y183-E211 HydrophobicContact CD1-CG 4.18Å; Y183-E211 HydrophobicContact CE1-CB 3.7Å; Y183-E211 HydrophobicContact CE1-CG 3.56Å; Y183-E211 WeakPolarHBondContact CE1-OE2 3.28Å; Y183-E211 PolarHBondContact OH-OE2 3.47Å; E211-L219 WeakPolarHBondContact O-CA 3.27Å; E211-T220 PolarHBondContact N-O 2.88Å; E211-T220 PolarHBondContact O-N 2.67Å; E211-V222 HydrophobicContact CB-CG2 3.44Å; E211-V222 VanDerWaalsContact CB-CG2 3.44Å; E211-K261 IonicContact OE1-NZ 2.69Å; E211-K261 PolarHBondContact OE1-NZ 3.48Å; E211-K261 IonicContact OE2-NZ 3.15Å
212Y98.8Very high97.9Very high13 Ų1339.6 Ų39.65%0.05120%0.2CC..EExtended strand (participates in β ladder)trans-119.4124.5169.7178.6-99000109.4L155 V156 K181 L182 T214 R217 E218 L219L155-Y212 HydrophobicContact CB-CD1 4.39Å; L155-Y212 HydrophobicContact CB-CE1 3.76Å; L155-Y212 HydrophobicContact CD1-CE1 4.16Å; L155-Y212 HydrophobicContact CD2-CE1 4.37Å; L155-Y212 HydrophobicContact CG-CE1 4.33Å; L155-Y212 PolarHBondContact O-OH 2.97Å; V156-Y212 HydrophobicContact CG2-CD2 3.7Å; V156-Y212 HydrophobicContact CG2-CE2 4.13Å; V156-Y212 HydrophobicContact CG2-CG 3.93Å; K181-Y212 WeakPolarHBondContact CA-O 3.43Å; L182-Y212 HydrophobicContact CD1-CD1 4.04Å; L182-Y212 PolarHBondContact N-O 3.12Å; L182-Y212 PolarHBondContact O-N 3.11Å; Y212-T214 HydrophobicContact CD1-CG2 4.1Å; Y212-T214 HydrophobicContact CE1-CG2 4.03Å; Y212-R217 HydrophobicContact CE2-CB 4.31Å; Y212-E218 WeakPolarHBondContact CA-O 3.44Å; Y212-L219 HydrophobicContact CD2-CB 4.24Å; Y212-L219 HydrophobicContact CD2-CD1 4.46Å
213D98.4Very high98Very high16 Ų1640.6 Ų40.69%0.08621%0.205CC..EExtended strand (participates in β ladder)trans-93.6122.2172.1-177-58.3000109.3R180 E215 T216 R217 E218R180-D213 IonicContact CZ-OD2 3.76Å; R180-D213 IonicContact NE-OD2 3.92Å; R180-D213 PolarHBondContact NE-OD2 2.98Å; R180-D213 VanDerWaalsContact NE-OD2 3.09Å; R180-D213 IonicContact NH2-OD2 2.74Å; R180-D213 CarbonylContact O-C 3.48Å; R180-D213 WeakPolarHBondContact O-CA 3.35Å; D213-E215 VanDerWaalsContact C-N 3.3Å; D213-E215 PolarHBondContact O-N 2.78Å; D213-E215 WeakPolarHBondContact OD1-CA 3.07Å; D213-E215 WeakPolarHBondContact OD1-CB 3.45Å; D213-E215 PolarHBondContact OD1-N 3.24Å; D213-T216 WeakPolarHBondContact CB-OG1 3.3Å; D213-T216 PolarHBondContact OD1-N 2.88Å; D213-T216 PolarHBondContact OD1-OG1 3.49Å; D213-R217 WeakPolarHBondContact O-CA 3.18Å; D213-R217 PolarHBondContact O-N 2.73Å; D213-E218 PolarHBondContact N-O 2.94Å
214T97.1Very high98Very high46 Ų4644.9 Ų44.928%0.28223%0.225SC..THydrogen-bonded Turntrans-73.6-20.2-174.1600000113.4G179 R180 L182 Y212G179-T214 WeakPolarHBondContact O-CG2 3.3Å; G179-T214 PolarHBondContact O-OG1 2.73Å; R180-T214 WeakPolarHBondContact CA-OG1 3.43Å; R180-T214 PolarHBondContact O-N 3.11Å; R180-T214 PolarHBondContact O-OG1 2.9Å; L182-T214 HydrophobicContact CD1-CG2 4.37Å; L182-T214 HydrophobicContact CG-CG2 4.32Å; Y212-T214 HydrophobicContact CD1-CG2 4.1Å; Y212-T214 HydrophobicContact CE1-CG2 4.03Å
215E96.1Very high98.1Very high131 Ų13147.7 Ų47.761%0.61224%0.239SC*.THydrogen-bonded Turntrans-85.2-53177.6-62.7-175.1157.600110.8R180 D213 R217R180-E215 HydrophobicContact CG-CG 4.46Å; R180-E215 IonicContact CZ-OE2 2.87Å; R180-E215 IonicContact NE-OE2 3.26Å; R180-E215 IonicContact NH1-OE2 3.01Å; R180-E215 PolarHBondContact NH1-OE2 3.39Å; R180-E215 IonicContact NH2-OE2 3.67Å; R180-E215 PolarHBondContact NH2-OE2 2.71Å; D213-E215 VanDerWaalsContact C-N 3.3Å; D213-E215 PolarHBondContact O-N 2.78Å; D213-E215 WeakPolarHBondContact OD1-CA 3.07Å; D213-E215 WeakPolarHBondContact OD1-CB 3.45Å; D213-E215 PolarHBondContact OD1-N 3.24Å; E215-R217 VanDerWaalsContact C-N 3.34Å
216T98.1Very high98.2Very high80 Ų8046.7 Ų46.749%0.49123%0.231SC..THydrogen-bonded Turntrans-81.5-18.7-17770.20000112.4D213 E218D213-T216 WeakPolarHBondContact CB-OG1 3.3Å; D213-T216 PolarHBondContact OD1-N 2.88Å; D213-T216 PolarHBondContact OD1-OG1 3.49Å; T216-E218 PolarHBondContact O-N 2.84Å; T216-E218 VanDerWaalsContact OG1-CB 3.28Å; T216-E218 WeakPolarHBondContact OG1-CB 3.46Å; T216-E218 PolarHBondContact OG1-N 3.14Å
217R97.8Very high98.2Very high193 Ų19348.5 Ų48.573%0.72824%0.236SC*.  trans61.319.8-171.9-52.2-178175.5-175.8-2.6113.3Y212 D213 E215Y212-R217 HydrophobicContact CE2-CB 4.31Å; D213-R217 WeakPolarHBondContact O-CA 3.18Å; D213-R217 PolarHBondContact O-N 2.73Å; E215-R217 VanDerWaalsContact C-N 3.34Å
218E98.2Very high98.2Very high121 Ų12148.9 Ų48.957%0.56524%0.238SC*.  trans-73.3135.7176.9-166.2-176.9173.400110Y212 D213 T216 T220Y212-E218 WeakPolarHBondContact CA-O 3.44Å; D213-E218 PolarHBondContact N-O 2.94Å; T216-E218 PolarHBondContact O-N 2.84Å; T216-E218 VanDerWaalsContact OG1-CB 3.28Å; T216-E218 WeakPolarHBondContact OG1-CB 3.46Å; T216-E218 PolarHBondContact OG1-N 3.14Å; E218-T220 HydrophobicContact CG-CG2 3.87Å; E218-T220 WeakPolarHBondContact OE1-CG2 3.22Å
219L98.6Very high98.2Very high35 Ų3548.9 Ų48.918%0.18324%0.238CC..EExtended strand (participates in β ladder)trans-122.4116.5178.3177.757.2000109.4V156 V162 L167 F184 L210 E211 Y212V156-L219 HydrophobicContact CG1-CD2 3.85Å; V156-L219 HydrophobicContact CG2-CD1 4.44Å; V156-L219 HydrophobicContact CG2-CD2 4.39Å; V162-L219 HydrophobicContact CG1-CG 4.13Å; V162-L219 HydrophobicContact CG2-CD2 3.52Å; V162-L219 HydrophobicContact CG2-CG 4.04Å; L167-L219 HydrophobicContact CD1-CD2 4.39Å; F184-L219 HydrophobicContact CE1-CD1 3.74Å; F184-L219 HydrophobicContact CZ-CD1 3.7Å; L210-L219 HydrophobicContact CB-CD1 4.14Å; L210-L219 HydrophobicContact CD2-CD1 3.88Å; L210-L219 HydrophobicContact CD2-CG 4.3Å; E211-L219 WeakPolarHBondContact O-CA 3.27Å; Y212-L219 HydrophobicContact CD2-CB 4.24Å; Y212-L219 HydrophobicContact CD2-CD1 4.46Å
220T97.9Very high98.1Very high37 Ų3749.2 Ų49.223%0.22724%0.24CC..EExtended strand (participates in β ladder)trans-129.1154.7-175.264.70000112.1L210 E211 E218L210-T220 CarbonylContact C-O 3.54Å; L210-T220 VanDerWaalsContact CA-O 3.22Å; L210-T220 WeakPolarHBondContact CA-O 3.44Å; L210-T220 WeakPolarHBondContact CB-O 3.41Å; E211-T220 PolarHBondContact N-O 2.88Å; E211-T220 PolarHBondContact O-N 2.67Å; E218-T220 HydrophobicContact CG-CG2 3.87Å; E218-T220 WeakPolarHBondContact OE1-CG2 3.22Å
221V98.5Very high98.1Very high49 Ų4949.2 Ų49.230%0.29724%0.24SC..EExtended strand (participates in β ladder)trans-90121.9171.2-1790000108.1V162 R208 L210 E224V162-V221 HydrophobicContact CG1-CG2 4Å; R208-V221 HydrophobicContact CB-CG1 4.41Å; R208-V221 HydrophobicContact CG-CG1 4.45Å; L210-V221 HydrophobicContact CD2-CG2 4.3Å; L210-V221 HydrophobicContact CG-CG2 4.46Å; V221-E224 HydrophobicContact CG1-CB 4.4Å
222V97.9Very high98.1Very high20 Ų2048.4 Ų48.412%0.12124%0.236CC..EExtended strand (participates in β ladder)trans-94.7-36.2179.2-1770000111.7V209 E211 V254 V256V209-V222 PolarHBondContact O-N 2.89Å; E211-V222 HydrophobicContact CB-CG2 3.44Å; E211-V222 VanDerWaalsContact CB-CG2 3.44Å; V222-V254 HydrophobicContact CG1-CG1 4.34Å; V222-V256 HydrophobicContact CG1-CG1 4.13Å
223M98.6Very high98.1Very high23 Ų2349 Ų4911%0.11324%0.239CC..EExtended strand (participates in β ladder)trans-145.7146.8180-171.958.654.200110.1R208 V209 L226 V254 G262 M264R208-M223 CarbonylContact C-O 3.57Å; R208-M223 VanDerWaalsContact CA-O 3.25Å; R208-M223 WeakPolarHBondContact CA-O 3.34Å; R208-M223 WeakPolarHBondContact CB-O 3.39Å; V209-M223 HydrophobicContact CB-CB 4.06Å; V209-M223 HydrophobicContact CG2-CB 4.23Å; V209-M223 PolarHBondContact N-O 2.9Å; V209-M223 PolarHBondContact O-N 3.04Å; M223-L226 HydrophobicContact CG-CD1 4.16Å; M223-L226 HydrophobicContact CG-CG 4.38Å; M223-V254 HydrophobicContact CB-CG1 3.81Å; M223-V254 HydrophobicContact CB-CG2 4.28Å; M223-V254 HydrophobicContact CE-CG1 4.1Å; M223-V254 HydrophobicContact CG-CG1 4.29Å; M223-V254 HydrophobicContact CG-CG2 4.01Å; M223-G262 WeakPolarHBondContact CE-O 3.43Å; M223-M264 HydrophobicContact CE-CB 3.67Å; M223-M264 HydrophobicContact CG-CE 4.44Å; M223-M264 HydrophobicContact CG-SD 3.99Å; M223-M264 HydrophobicContact SD-CB 4.11Å; M223-M264 HydrophobicContact SD-CE 3.84Å; M223-M264 HydrophobicContact SD-SD 4.01Å
224E98Very high98.1Very high92 Ų9249 Ų4943%0.4324%0.239SC..EExtended strand (participates in β ladder)trans-138.5178.9179.756.7170.1-169.200111.3R165 R208 V221 L226R165-E224 IonicContact CZ-OE2 3.84Å; R165-E224 IonicContact NH2-OE2 3.11Å; R165-E224 PolarHBondContact NH2-OE2 2.84Å; R208-E224 HydrophobicContact CG-CB 4.27Å; V221-E224 HydrophobicContact CG1-CB 4.4Å; E224-L226 VanDerWaalsContact C-N 3.28Å; E224-L226 PolarHBondContact O-N 2.83Å
225N97.5Very high98Very high93 Ų9347.5 Ų47.550%0.49723%0.229SC..EExtended strand (participates in β ladder)trans64.732.4178.5-51.6-44.3000113.6A205 G207A205-N225 HydrophobicContact CB-CB 4.48Å; A205-N225 WeakPolarHBondContact O-CA 3.44Å; G207-N225 PolarHBondContact O-N 2.86Å
226L98.4Very high98Very high0 Ų047 Ų470%024%0.237CC..EExtended strand (participates in β ladder)trans-91145.3172.7-61.1168.5000110G207 V209 M223 E224 P229 V243 E245 R252 M264G207-L226 VanDerWaalsContact CA-O 3.31Å; G207-L226 WeakPolarHBondContact CA-O 3.21Å; G207-L226 PolarHBondContact N-O 3.1Å; G207-L226 PolarHBondContact O-N 2.77Å; G207-L226 VanDerWaalsContact O-N 3.1Å; V209-L226 HydrophobicContact CG2-CD1 3.77Å; M223-L226 HydrophobicContact CG-CD1 4.16Å; M223-L226 HydrophobicContact CG-CG 4.38Å; E224-L226 VanDerWaalsContact C-N 3.28Å; E224-L226 PolarHBondContact O-N 2.83Å; L226-P229 HydrophobicContact CB-CB 4.05Å; L226-P229 HydrophobicContact CB-CG 3.88Å; L226-P229 HydrophobicContact CD1-CB 3.95Å; L226-P229 HydrophobicContact CD1-CG 4.26Å; L226-V243 HydrophobicContact CD1-CG1 4.26Å; L226-E245 VanDerWaalsContact CA-OE1 3.29Å; L226-E245 WeakPolarHBondContact CA-OE1 3.05Å; L226-E245 HydrophobicContact CB-CG 4.24Å; L226-E245 HydrophobicContact CD2-CG 3.9Å; L226-R252 HydrophobicContact CD2-CG 4.31Å; L226-M264 HydrophobicContact CD2-CE 4.31Å; L226-M264 HydrophobicContact CD2-SD 3.69Å
227R98.3Very high97.8Very high52 Ų5247.3 Ų47.320%0.19624%0.236CC..SBendtrans-101.2102.6177.1-74.9-176.5170.590.35.7110.2E38 A203 A205 E245 M248E38-R227 IonicContact OE2-NH2 3.09Å; E38-R227 PolarHBondContact OE2-NH2 3.39Å; A203-R227 WeakPolarHBondContact O-CD 3.39Å; A203-R227 PolarHBondContact O-NE 3.04Å; A205-R227 HydrophobicContact CB-CG 3.81Å; R227-E245 PolarHBondContact N-OE1 3.17Å; R227-M248 HydrophobicContact CB-CG 3.81Å; R227-M248 HydrophobicContact CG-CG 4.36Å
228F98.4Very high97.7Very high9 Ų941.1 Ų41.14%0.03922%0.215CC..SBendtrans53.562.7-175.1-159.3170.4000112.7F169 S187 L199 I200 N230 T246 T247F169-F228 AromaticContact CE1-CE2 3.71Å; F169-F228 HydrophobicContact CE1-CE2 3.71Å; F169-F228 AromaticContact CE1-CZ 3.83Å; F169-F228 HydrophobicContact CE1-CZ 3.83Å; F169-F228 AromaticContact CZ-CE2 3.81Å; F169-F228 HydrophobicContact CZ-CE2 3.81Å; F169-F228 HydrophobicContact CZ-CZ 4.01Å; S187-F228 WeakPolarHBondContact OG-CD2 3.34Å; S187-F228 WeakPolarHBondContact OG-CE2 3.49Å; L199-F228 HydrophobicContact CD1-CD2 4.31Å; L199-F228 HydrophobicContact CD1-CE2 4.46Å; L199-F228 HydrophobicContact CD1-CG 4.34Å; L199-F228 HydrophobicContact CD2-CB 3.46Å; L199-F228 VanDerWaalsContact CD2-CB 3.46Å; L199-F228 HydrophobicContact CD2-CD1 3.52Å; L199-F228 HydrophobicContact CD2-CD2 4.22Å; L199-F228 HydrophobicContact CD2-CE1 4.27Å; L199-F228 HydrophobicContact CD2-CG 3.47Å; L199-F228 VanDerWaalsContact CD2-CG 3.47Å; I200-F228 HydrophobicContact CD1-CD1 4.36Å; I200-F228 HydrophobicContact CD1-CE1 3.96Å; I200-F228 HydrophobicContact CG1-CD1 3.62Å; I200-F228 HydrophobicContact CG1-CE1 3.66Å; F228-N230 HydrophobicContact CD2-CB 4.28Å; F228-N230 HydrophobicContact CE2-CB 4.29Å; F228-N230 PolarHBondContact O-N 3.23Å; F228-N230 VanDerWaalsContact O-N 3.14Å; F228-T246 HydrophobicContact CD1-CG2 4.04Å; F228-T246 HydrophobicContact CE1-CG2 4.28Å; F228-T246 PolarHBondContact O-N 3.05Å; F228-T247 VanDerWaalsContact CB-OG1 3.31Å; F228-T247 WeakPolarHBondContact CB-OG1 3.45Å
229P98.7Very high97.7Very high0 Ų039.9 Ų39.90%021%0.21CC..EExtended strand (participates in β ladder)trans-63.3115.1167.828.9-33.9000108.9T185 D186 S187 L226 V243 A244T185-P229 HydrophobicContact CG2-CB 3.95Å; D186-P229 WeakPolarHBondContact O-CG 3.48Å; S187-P229 WeakPolarHBondContact CA-O 3.47Å; S187-P229 PolarHBondContact OG-O 3.18Å; L226-P229 HydrophobicContact CB-CB 4.05Å; L226-P229 HydrophobicContact CB-CG 3.88Å; L226-P229 HydrophobicContact CD1-CB 3.95Å; L226-P229 HydrophobicContact CD1-CG 4.26Å; P229-V243 HydrophobicContact CB-CG1 3.55Å; P229-A244 CarbonylContact C-O 3.59Å; P229-A244 VanDerWaalsContact CA-O 3.29Å; P229-A244 WeakPolarHBondContact CA-O 3.25Å
230N98.1Very high97.6Very high7 Ų738.4 Ų38.44%0.03720%0.202CC..EExtended strand (participates in β ladder)trans-106.4-96.5-172.6-168.1-10.6000109.2N171 T185 F228 A244 T246 D276N171-N230 PolarHBondContact ND2-OD1 2.96Å; N171-N230 PolarHBondContact OD1-OD1 3.22Å; T185-N230 PolarHBondContact OG1-O 3.15Å; F228-N230 HydrophobicContact CD2-CB 4.28Å; F228-N230 HydrophobicContact CE2-CB 4.29Å; F228-N230 PolarHBondContact O-N 3.23Å; F228-N230 VanDerWaalsContact O-N 3.14Å; N230-A244 PolarHBondContact N-O 3.29Å; N230-T246 WeakPolarHBondContact CB-OG1 3.22Å; N230-T246 PolarHBondContact ND2-OG1 2.72Å; N230-D276 VanDerWaalsContact CG-OD1 3.24Å; N230-D276 VanDerWaalsContact ND2-CG 3.33Å; N230-D276 PolarHBondContact ND2-OD1 2.96Å; N230-D276 PolarHBondContact OD1-OD1 2.91Å; N230-D276 VanDerWaalsContact OD1-OD1 3.11Å
231G98.1Very high97.6Very high0 Ų036.7 Ų36.70%019%0.191CC..EExtended strand (participates in β ladder)trans-65.3146.2174.500000114.8V243 A244 D276G231-V243 WeakPolarHBondContact O-CA 3.36Å; G231-A244 PolarHBondContact O-N 2.9Å; G231-D276 PolarHBondContact N-O 3.5Å
232I98.8Very high97.6Very high0 Ų034.3 Ų34.30%018%0.177CC..EExtended strand (participates in β ladder)trans-134.3138.1173.3-175.4162.5000112.1R126 D172 A174 T185 V209 V241 L242 V243R126-I232 PolarHBondContact NH2-O 3.38Å; D172-I232 HydrophobicContact CB-CG2 3.85Å; D172-I232 VanDerWaalsContact O-CG2 3.3Å; D172-I232 WeakPolarHBondContact O-CG2 3.5Å; D172-I232 PolarHBondContact OD2-N 2.77Å; A174-I232 HydrophobicContact CB-CG1 4.21Å; A174-I232 HydrophobicContact CB-CG2 4.41Å; T185-I232 HydrophobicContact CG2-CB 3.86Å; T185-I232 HydrophobicContact CG2-CD1 4.19Å; T185-I232 HydrophobicContact CG2-CG2 4.21Å; V209-I232 HydrophobicContact CG1-CD1 3.96Å; I232-V241 HydrophobicContact CD1-CB 4.02Å; I232-V241 HydrophobicContact CD1-CG1 4.21Å; I232-V241 HydrophobicContact CD1-CG2 3.85Å; I232-V241 HydrophobicContact CG1-CB 3.88Å; I232-V241 HydrophobicContact CG1-CG1 4.26Å; I232-V241 HydrophobicContact CG1-CG2 4.17Å; I232-L242 CarbonylContact C-O 3.56Å; I232-L242 VanDerWaalsContact CA-O 3.25Å; I232-L242 WeakPolarHBondContact CA-O 3.44Å; I232-V243 HydrophobicContact CD1-CG2 4.33Å; I232-V243 HydrophobicContact CG1-CG2 4.37Å
233Q98.4Very high97.7Very high25 Ų2533.4 Ų33.412%0.11717%0.172CC..EExtended strand (participates in β ladder)trans-142.3119.2-179.8179.256.456.600111.3V241 L242 I278 Y286Q233-V241 CarbonylContact O-C 3.55Å; Q233-V241 WeakPolarHBondContact O-CA 3.44Å; Q233-L242 HydrophobicContact CB-CB 4.49Å; Q233-L242 PolarHBondContact N-O 3.24Å; Q233-L242 PolarHBondContact O-N 2.9Å; Q233-I278 HydrophobicContact CB-CB 3.98Å; Q233-I278 HydrophobicContact CB-CG2 3.82Å; Q233-I278 HydrophobicContact CG-CG2 4.29Å; Q233-I278 PolarHBondContact OE1-O 2.88Å; Q233-Y286 HydrophobicContact CG-CD1 3.83Å; Q233-Y286 HydrophobicContact CG-CE1 3.67Å
234L97.9Very high97.7Very high15 Ų1532.3 Ų32.38%0.07917%0.166CC..EExtended strand (participates in β ladder)trans-66.1136.2173.4-168.768.6000110.3A174 V175 T176 Y183 Q238 S240 V241 V256A174-L234 HydrophobicContact CB-CB 4.04Å; V175-L234 WeakPolarHBondContact O-CD2 3.44Å; T176-L234 HydrophobicContact CG2-CD2 4.03Å; Y183-L234 HydrophobicContact CD2-CD1 3.99Å; Y183-L234 HydrophobicContact CE2-CD1 4.02Å; L234-Q238 HydrophobicContact CD2-CB 4.3Å; L234-Q238 HydrophobicContact CD2-CG 4.04Å; L234-S240 WeakPolarHBondContact CD1-O 3.44Å; L234-V241 HydrophobicContact CB-CG1 4.36Å; L234-V241 HydrophobicContact CD1-CG1 3.59Å; L234-V256 HydrophobicContact CD1-CG2 4.25Å
235L96.4Very high97.7Very high15 Ų1527.9 Ų27.98%0.07915%0.146CC..  trans-74156173-86.171.7000110.5D237 Q238 S240 L242L235-D237 VanDerWaalsContact CB-OD1 3.26Å; L235-D237 WeakPolarHBondContact CB-OD1 3.48Å; L235-D237 PolarHBondContact O-N 3.19Å; L235-D237 VanDerWaalsContact O-N 3.16Å; L235-Q238 PolarHBondContact O-N 3.24Å; L235-S240 WeakPolarHBondContact CB-O 3.28Å; L235-S240 WeakPolarHBondContact CD1-O 3.48Å; L235-S240 PolarHBondContact N-O 3.4Å; L235-L242 HydrophobicContact CD1-CD2 3.72Å; L235-L242 HydrophobicContact CD1-CG 3.61Å
236P94.6Very high97.8Very high120 Ų12024 Ų2478%0.77913%0.126SC*.THydrogen-bonded Turntrans-58.3-26.6178.3-26.335.7000114.8Q238P236-Q238 PolarHBondContact O-N 3.09Å
237D94.4Very high97.7Very high87 Ų8724.2 Ų24.247%0.46513%0.126SC..THydrogen-bonded Turntrans-71.9-12.6176.358.722.1000113.7L235 E239 S240L235-D237 VanDerWaalsContact CB-OD1 3.26Å; L235-D237 WeakPolarHBondContact CB-OD1 3.48Å; L235-D237 PolarHBondContact O-N 3.19Å; L235-D237 VanDerWaalsContact O-N 3.16Å; D237-E239 HydrophobicContact CB-CG 4.48Å; D237-E239 PolarHBondContact O-N 3.28Å; D237-E239 VanDerWaalsContact O-N 3.11Å; D237-E239 PolarHBondContact OD1-N 3.2Å; D237-S240 PolarHBondContact OD1-N 2.99Å
238Q96.3Very high97.7Very high63 Ų6322.8 Ų22.829%0.29412%0.122SC..SBendtrans57.613.5-173-53.5-16872.400114.6T176 L234 L235 P236T176-Q238 VanDerWaalsContact CB-OE1 3.3Å; L234-Q238 HydrophobicContact CD2-CB 4.3Å; L234-Q238 HydrophobicContact CD2-CG 4.04Å; L235-Q238 PolarHBondContact O-N 3.24Å; P236-Q238 PolarHBondContact O-N 3.09Å
239E97.1Very high97.6Very high96 Ų9622.3 Ų22.345%0.44912%0.12SC..SBendtrans-96.1-22.3179-64.1-160.7154.500112.6D237 H255 V256 A257D237-E239 HydrophobicContact CB-CG 4.48Å; D237-E239 PolarHBondContact O-N 3.28Å; D237-E239 VanDerWaalsContact O-N 3.11Å; D237-E239 PolarHBondContact OD1-N 3.2Å; E239-H255 CarbonylContact O-C 3.59Å; E239-V256 WeakPolarHBondContact O-CG2 3.31Å; E239-V256 PolarHBondContact O-N 2.85Å; E239-A257 PolarHBondContact O-N 2.91Å
240S97.7Very high97.6Very high4 Ų424.7 Ų24.73%0.02813%0.129CC..EExtended strand (participates in β ladder)trans-137.3156-176.8-52.90000112.8L234 L235 D237 V254 H255L234-S240 WeakPolarHBondContact CD1-O 3.44Å; L235-S240 WeakPolarHBondContact CB-O 3.28Å; L235-S240 WeakPolarHBondContact CD1-O 3.48Å; L235-S240 PolarHBondContact N-O 3.4Å; D237-S240 PolarHBondContact OD1-N 2.99Å; S240-V254 CarbonylContact C-O 3.56Å; S240-V254 WeakPolarHBondContact CA-O 3.36Å; S240-V254 WeakPolarHBondContact CB-O 3.41Å; S240-H255 PolarHBondContact OG-ND1 2.68Å
241V98.6Very high97.6Very high0 Ų024.3 Ų24.30%013%0.127CC..EExtended strand (participates in β ladder)trans-117.3143.4167.7-620000110Y183 V209 I232 Q233 L234 V243 R253 V254 V256Y183-V241 HydrophobicContact CD2-CG1 4.02Å; Y183-V241 HydrophobicContact CG-CG1 4.05Å; V209-V241 HydrophobicContact CG1-CG2 4.44Å; I232-V241 HydrophobicContact CD1-CB 4.02Å; I232-V241 HydrophobicContact CD1-CG1 4.21Å; I232-V241 HydrophobicContact CD1-CG2 3.85Å; I232-V241 HydrophobicContact CG1-CB 3.88Å; I232-V241 HydrophobicContact CG1-CG1 4.26Å; I232-V241 HydrophobicContact CG1-CG2 4.17Å; Q233-V241 CarbonylContact O-C 3.55Å; Q233-V241 WeakPolarHBondContact O-CA 3.44Å; L234-V241 HydrophobicContact CB-CG1 4.36Å; L234-V241 HydrophobicContact CD1-CG1 3.59Å; V241-V243 HydrophobicContact CG2-CG2 3.92Å; V241-R253 WeakPolarHBondContact O-CA 3.49Å; V241-V254 HydrophobicContact CG2-CB 3.83Å; V241-V254 HydrophobicContact CG2-CG1 4.33Å; V241-V254 PolarHBondContact N-O 3.35Å; V241-V254 PolarHBondContact O-N 2.88Å; V241-V256 HydrophobicContact CB-CG1 4.44Å; V241-V256 HydrophobicContact CG1-CG1 4.02Å; V241-V256 HydrophobicContact CG1-CG2 4.21Å; V241-V256 HydrophobicContact CG2-CG1 3.71Å
242L98.6Very high97.6Very high0 Ų025.9 Ų25.90%013%0.133CC..EExtended strand (participates in β ladder)trans-83.6138.5162.9-60.4-171.4000109.5I232 Q233 L235 I251 R252 R253 F267 I278 Y286I232-L242 CarbonylContact C-O 3.56Å; I232-L242 VanDerWaalsContact CA-O 3.25Å; I232-L242 WeakPolarHBondContact CA-O 3.44Å; Q233-L242 HydrophobicContact CB-CB 4.49Å; Q233-L242 PolarHBondContact N-O 3.24Å; Q233-L242 PolarHBondContact O-N 2.9Å; L235-L242 HydrophobicContact CD1-CD2 3.72Å; L235-L242 HydrophobicContact CD1-CG 3.61Å; L242-I251 HydrophobicContact CB-CG2 3.95Å; L242-I251 HydrophobicContact CD1-CG2 4.48Å; L242-I251 HydrophobicContact CD2-CG2 4.43Å; L242-R252 CarbonylContact C-O 3.52Å; L242-R252 VanDerWaalsContact CA-O 3.31Å; L242-R252 WeakPolarHBondContact CA-O 3.3Å; L242-R253 HydrophobicContact CD2-CB 4.2Å; L242-R253 HydrophobicContact CD2-CG 4.5Å; L242-F267 HydrophobicContact CD1-CD1 3.73Å; L242-F267 HydrophobicContact CD1-CE1 3.61Å; L242-F267 HydrophobicContact CD1-CE2 4.38Å; L242-F267 HydrophobicContact CD1-CG 4.26Å; L242-F267 HydrophobicContact CD1-CZ 3.95Å; L242-F267 HydrophobicContact CD2-CB 3.89Å; L242-F267 HydrophobicContact CD2-CD1 3.89Å; L242-F267 HydrophobicContact CD2-CD2 3.79Å; L242-F267 HydrophobicContact CD2-CE1 4.43Å; L242-F267 HydrophobicContact CD2-CE2 4.25Å; L242-F267 HydrophobicContact CD2-CG 3.58Å; L242-F267 HydrophobicContact CG-CD1 4.44Å; L242-I278 HydrophobicContact CB-CD1 3.92Å; L242-I278 HydrophobicContact CD1-CG2 4.34Å; L242-Y286 HydrophobicContact CD1-CD1 4.14Å; L242-Y286 HydrophobicContact CD1-CD2 3.47Å; L242-Y286 VanDerWaalsContact CD1-CD2 3.47Å; L242-Y286 HydrophobicContact CD1-CE1 4.08Å; L242-Y286 HydrophobicContact CD1-CE2 3.43Å; L242-Y286 VanDerWaalsContact CD1-CE2 3.43Å; L242-Y286 HydrophobicContact CD1-CG 3.85Å
243V98.8Very high97.6Very high0 Ų028.5 Ų28.50%014%0.143CC..EExtended strand (participates in β ladder)trans-131.7121.3179-173.80000109.5T185 V209 L226 P229 G231 I232 V241 E245 I251 R252 V254T185-V243 HydrophobicContact CG2-CG1 3.94Å; V209-V243 HydrophobicContact CG2-CG1 4.38Å; V209-V243 HydrophobicContact CG2-CG2 3.72Å; L226-V243 HydrophobicContact CD1-CG1 4.26Å; P229-V243 HydrophobicContact CB-CG1 3.55Å; G231-V243 WeakPolarHBondContact O-CA 3.36Å; I232-V243 HydrophobicContact CD1-CG2 4.33Å; I232-V243 HydrophobicContact CG1-CG2 4.37Å; V241-V243 HydrophobicContact CG2-CG2 3.92Å; V243-E245 PolarHBondContact O-N 2.69Å; V243-I251 WeakPolarHBondContact O-CA 3.27Å; V243-R252 PolarHBondContact N-O 3.36Å; V243-R252 PolarHBondContact O-N 3.17Å; V243-V254 HydrophobicContact CG2-CB 4.49Å; V243-V254 HydrophobicContact CG2-CG2 3.99Å
244A98.6Very high97.6Very high0 Ų027.3 Ų27.30%014%0.138CC..EExtended strand (participates in β ladder)trans-76112.617400000109.8P229 N230 G231 T246 P275 D276 I278P229-A244 CarbonylContact C-O 3.59Å; P229-A244 VanDerWaalsContact CA-O 3.29Å; P229-A244 WeakPolarHBondContact CA-O 3.25Å; N230-A244 PolarHBondContact N-O 3.29Å; G231-A244 PolarHBondContact O-N 2.9Å; A244-T246 PolarHBondContact O-N 3.19Å; A244-P275 HydrophobicContact CB-CB 3.9Å; A244-P275 HydrophobicContact CB-CG 3.99Å; A244-D276 WeakPolarHBondContact CB-O 3.17Å; A244-I278 HydrophobicContact CB-CD1 4Å; A244-I278 HydrophobicContact CB-CG1 4.25Å
245E98.3Very high97.6Very high0 Ų027.7 Ų27.70%014%0.139CC..EExtended strand (participates in β ladder)trans-89.790.7168.2-76.2-168.793.300108.9L226 R227 V243 T247 M248 A249 R250 R252L226-E245 VanDerWaalsContact CA-OE1 3.29Å; L226-E245 WeakPolarHBondContact CA-OE1 3.05Å; L226-E245 HydrophobicContact CB-CG 4.24Å; L226-E245 HydrophobicContact CD2-CG 3.9Å; R227-E245 PolarHBondContact N-OE1 3.17Å; V243-E245 PolarHBondContact O-N 2.69Å; E245-T247 PolarHBondContact O-N 2.72Å; E245-M248 HydrophobicContact CB-CB 4.05Å; E245-M248 CarbonylContact O-C 3.59Å; E245-M248 PolarHBondContact O-N 3.01Å; E245-M248 VanDerWaalsContact O-N 3.1Å; E245-A249 PolarHBondContact O-N 2.98Å; E245-A249 VanDerWaalsContact O-N 3.14Å; E245-R250 HydrophobicContact CB-CG 4.05Å; E245-R250 PolarHBondContact N-O 3.02Å; E245-R250 PolarHBondContact O-N 3.12Å; E245-R250 IonicContact OE1-NH2 3.4Å; E245-R250 IonicContact OE2-CZ 3.39Å; E245-R250 IonicContact OE2-NE 3.12Å; E245-R250 PolarHBondContact OE2-NE 3.46Å; E245-R250 IonicContact OE2-NH2 3.65Å; E245-R250 PolarHBondContact OE2-NH2 3.05Å; E245-R252 HydrophobicContact CG-CG 4.13Å; E245-R252 WeakPolarHBondContact OE2-CD 3.21Å; E245-R252 WeakPolarHBondContact OE2-CG 3.37Å
246T98.4Very high97.7Very high12 Ų1227 Ų277%0.07414%0.135CC..G310 helixtrans-54.6-52.2-172.3-59.90000110.8F228 N230 A244 M248 A249 F274 P275F228-T246 HydrophobicContact CD1-CG2 4.04Å; F228-T246 HydrophobicContact CE1-CG2 4.28Å; F228-T246 PolarHBondContact O-N 3.05Å; N230-T246 WeakPolarHBondContact CB-OG1 3.22Å; N230-T246 PolarHBondContact ND2-OG1 2.72Å; A244-T246 PolarHBondContact O-N 3.19Å; T246-M248 PolarHBondContact O-N 2.79Å; T246-A249 PolarHBondContact O-N 2.69Å; T246-A249 VanDerWaalsContact O-N 3.09Å; T246-F274 HydrophobicContact CG2-CB 3.82Å; T246-F274 VanDerWaalsContact O-CD1 3.22Å; T246-F274 WeakPolarHBondContact O-CD1 3.08Å; T246-P275 WeakPolarHBondContact CB-O 3.31Å; T246-P275 PolarHBondContact OG1-O 3.25Å
247T97.4Very high97.7Very high3 Ų322.5 Ų22.52%0.01811%0.109CC..G310 helixtrans-64.9-24-176.5-58.40000113.3F40 A203 F228 E245F40-T247 HydrophobicContact CE1-CG2 4.24Å; F40-T247 HydrophobicContact CE2-CG2 4.2Å; F40-T247 WeakPolarHBondContact CE2-O 3.45Å; F40-T247 HydrophobicContact CZ-CG2 3.81Å; A203-T247 HydrophobicContact CB-CG2 3.66Å; F228-T247 VanDerWaalsContact CB-OG1 3.31Å; F228-T247 WeakPolarHBondContact CB-OG1 3.45Å; E245-T247 PolarHBondContact O-N 2.72Å
248M97.7Very high97.7Very high22 Ų2220.4 Ų20.411%0.10811%0.107CC..G310 helixtrans-95.81.2179.2-67.5-60.2-57.200113.7F40 R227 E245 T246 R250F40-M248 HydrophobicContact CD2-CE 4.46Å; F40-M248 HydrophobicContact CD2-SD 3.64Å; F40-M248 HydrophobicContact CE2-SD 4.19Å; F40-M248 HydrophobicContact CG-SD 4.39Å; R227-M248 HydrophobicContact CB-CG 3.81Å; R227-M248 HydrophobicContact CG-CG 4.36Å; E245-M248 HydrophobicContact CB-CB 4.05Å; E245-M248 CarbonylContact O-C 3.59Å; E245-M248 PolarHBondContact O-N 3.01Å; E245-M248 VanDerWaalsContact O-N 3.1Å; T246-M248 PolarHBondContact O-N 2.79Å; M248-R250 VanDerWaalsContact C-N 3.26Å; M248-R250 HydrophobicContact CB-CG 3.77Å; M248-R250 PolarHBondContact O-N 3.12Å
249A97.7Very high97.6Very high0 Ų026.1 Ų26.10%014%0.139CC..THydrogen-bonded Turntrans49.645.9-178.200000112.5L42 E245 T246 N270 L271 F274L42-A249 HydrophobicContact CD2-CB 4.48Å; E245-A249 PolarHBondContact O-N 2.98Å; E245-A249 VanDerWaalsContact O-N 3.14Å; T246-A249 PolarHBondContact O-N 2.69Å; T246-A249 VanDerWaalsContact O-N 3.09Å; A249-N270 PolarHBondContact O-N 2.86Å; A249-L271 WeakPolarHBondContact O-CB 3.22Å; A249-L271 PolarHBondContact O-N 2.91Å; A249-F274 HydrophobicContact CB-CD1 4.09Å; A249-F274 HydrophobicContact CB-CE1 4.28Å
250R97.6Very high97.5Very high49 Ų4926.7 Ų26.719%0.18515%0.145CC..EExtended strand (participates in β ladder)trans-149.8167.7-175.273.2-177.5-175.9-175.50.4112.3E245 M248 V268E245-R250 HydrophobicContact CB-CG 4.05Å; E245-R250 PolarHBondContact N-O 3.02Å; E245-R250 PolarHBondContact O-N 3.12Å; E245-R250 IonicContact OE1-NH2 3.4Å; E245-R250 IonicContact OE2-CZ 3.39Å; E245-R250 IonicContact OE2-NE 3.12Å; E245-R250 PolarHBondContact OE2-NE 3.46Å; E245-R250 IonicContact OE2-NH2 3.65Å; E245-R250 PolarHBondContact OE2-NH2 3.05Å; M248-R250 VanDerWaalsContact C-N 3.26Å; M248-R250 HydrophobicContact CB-CG 3.77Å; M248-R250 PolarHBondContact O-N 3.12Å; R250-V268 WeakPolarHBondContact CA-O 3.22Å; R250-V268 VanDerWaalsContact CB-O 3.3Å; R250-V268 WeakPolarHBondContact CB-O 3.41Å
251I98.6Very high97.4Very high0 Ų031.2 Ų31.20%016%0.164CC..EExtended strand (participates in β ladder)trans-122.6127.7174.3-57.7170.8000108.6L242 V243 F267 V268 L271 I278 V288L242-I251 HydrophobicContact CB-CG2 3.95Å; L242-I251 HydrophobicContact CD1-CG2 4.48Å; L242-I251 HydrophobicContact CD2-CG2 4.43Å; V243-I251 WeakPolarHBondContact O-CA 3.27Å; I251-F267 HydrophobicContact CB-CB 4.38Å; I251-F267 HydrophobicContact CB-CD1 4.22Å; I251-F267 HydrophobicContact CG2-CB 4.08Å; I251-F267 HydrophobicContact CG2-CD1 3.85Å; I251-F267 HydrophobicContact CG2-CG 4.39Å; I251-F267 WeakPolarHBondContact O-CB 3.38Å; I251-F267 PolarHBondContact O-N 2.65Å; I251-V268 HydrophobicContact CB-CB 4.34Å; I251-V268 HydrophobicContact CB-CG2 4.28Å; I251-V268 HydrophobicContact CD1-CG2 4.13Å; I251-V268 PolarHBondContact N-O 3.39Å; I251-V268 PolarHBondContact O-N 2.92Å; I251-V268 VanDerWaalsContact O-N 3.09Å; I251-L271 HydrophobicContact CD1-CD1 4.25Å; I251-L271 HydrophobicContact CG1-CD1 4.09Å; I251-I278 HydrophobicContact CD1-CD1 4.15Å; I251-I278 HydrophobicContact CG1-CD1 4.26Å; I251-I278 HydrophobicContact CG2-CD1 3.77Å; I251-V288 HydrophobicContact CD1-CG1 4.19Å; I251-V288 HydrophobicContact CD1-CG2 3.78Å
252R98Very high97.1Very high33 Ų3333.2 Ų33.213%0.12518%0.184CC..EExtended strand (participates in β ladder)trans-97.2148.9175.2-59.7-65.9-71.7175.41.9110L226 L242 V243 E245 M264 D265 T266L226-R252 HydrophobicContact CD2-CG 4.31Å; L242-R252 CarbonylContact C-O 3.52Å; L242-R252 VanDerWaalsContact CA-O 3.31Å; L242-R252 WeakPolarHBondContact CA-O 3.3Å; V243-R252 PolarHBondContact N-O 3.36Å; V243-R252 PolarHBondContact O-N 3.17Å; E245-R252 HydrophobicContact CG-CG 4.13Å; E245-R252 WeakPolarHBondContact OE2-CD 3.21Å; E245-R252 WeakPolarHBondContact OE2-CG 3.37Å; R252-M264 HydrophobicContact CB-CG 4.08Å; R252-M264 HydrophobicContact CB-SD 3.92Å; R252-M264 HydrophobicContact CG-SD 3.92Å; R252-M264 PolarHBondContact NE-SD 2.85Å; R252-M264 VanDerWaalsContact NH2-CE 3.31Å; R252-M264 VanDerWaalsContact NH2-CG 3.31Å; R252-M264 PolarHBondContact NH2-O 2.78Å; R252-M264 VanDerWaalsContact NH2-O 3.13Å; R252-D265 WeakPolarHBondContact CA-O 3.34Å; R252-D265 PolarHBondContact NE-O 3.24Å; R252-T266 PolarHBondContact NH1-OG1 2.99Å
253R97.9Very high97.1Very high55 Ų5534.5 Ų34.521%0.20820%0.198CC..EExtended strand (participates in β ladder)trans-101.9116.1164.3179.6-178.3-67168.2-1.4107V241 L242 M264 D265 F267 D339V241-R253 WeakPolarHBondContact O-CA 3.49Å; L242-R253 HydrophobicContact CD2-CB 4.2Å; L242-R253 HydrophobicContact CD2-CG 4.5Å; R253-M264 CarbonylContact O-C 3.53Å; R253-M264 VanDerWaalsContact O-CA 3.25Å; R253-M264 WeakPolarHBondContact O-CA 3.46Å; R253-M264 WeakPolarHBondContact O-CG 3.44Å; R253-D265 PolarHBondContact N-O 2.03Å; R253-D265 PolarHBondContact O-N 3.04Å; R253-F267 HydrophobicContact CB-CB 4.38Å; R253-D339 IonicContact CZ-OD1 2.71Å; R253-D339 IonicContact NH2-OD1 3.08Å; R253-D339 PolarHBondContact NH2-OD1 3.37Å; R253-D339 IonicContact NH2-OD2 3.91Å
254V98.4Very high97Very high0 Ų036.9 Ų36.90%021%0.21CC..EExtended strand (participates in β ladder)trans-105.5124.8177.4172.80000108.1V209 V222 M223 S240 V241 V243 V256 M264V209-V254 HydrophobicContact CG2-CG2 4.46Å; V222-V254 HydrophobicContact CG1-CG1 4.34Å; M223-V254 HydrophobicContact CB-CG1 3.81Å; M223-V254 HydrophobicContact CB-CG2 4.28Å; M223-V254 HydrophobicContact CE-CG1 4.1Å; M223-V254 HydrophobicContact CG-CG1 4.29Å; M223-V254 HydrophobicContact CG-CG2 4.01Å; S240-V254 CarbonylContact C-O 3.56Å; S240-V254 WeakPolarHBondContact CA-O 3.36Å; S240-V254 WeakPolarHBondContact CB-O 3.41Å; V241-V254 HydrophobicContact CG2-CB 3.83Å; V241-V254 HydrophobicContact CG2-CG1 4.33Å; V241-V254 PolarHBondContact N-O 3.35Å; V241-V254 PolarHBondContact O-N 2.88Å; V243-V254 HydrophobicContact CG2-CB 4.49Å; V243-V254 HydrophobicContact CG2-CG2 3.99Å; V254-V256 HydrophobicContact CG1-CG1 4.14Å; V254-V256 PolarHBondContact O-N 2.69Å; V254-M264 HydrophobicContact CG2-CB 4.48Å; V254-M264 HydrophobicContact CG2-CG 3.9Å; V254-M264 HydrophobicContact CG2-SD 4.01Å
255H98.3Very high96.8Very high22 Ų2241.1 Ų41.110%0.10223%0.232CC..EExtended strand (participates in β ladder)trans-82.7116.2178-58.9-58.6000109.6E239 S240 N260 K261 G262 G263 D265E239-H255 CarbonylContact O-C 3.59Å; S240-H255 PolarHBondContact OG-ND1 2.68Å; H255-N260 HydrophobicContact CB-CB 4.11Å; H255-N260 WeakPolarHBondContact CB-O 3.31Å; H255-K261 WeakPolarHBondContact O-CA 3.45Å; H255-G262 PolarHBondContact O-N 3.43Å; H255-G263 PolarHBondContact N-O 2.75Å; H255-D265 IonicContact CE1-OD2 3.72Å; H255-D265 IonicContact NE2-OD2 2.77Å; H255-D265 PolarHBondContact NE2-OD2 3.44Å
256V97.9Very high96.7Very high0 Ų044.4 Ų44.40%025%0.252CS..  trans-107.4-15.5-173.3-61.30000113.2Y183 V222 L234 E239 V241 V254 K261Y183-V256 HydrophobicContact CD1-CB 4.03Å; Y183-V256 HydrophobicContact CD1-CG1 3.91Å; Y183-V256 HydrophobicContact CD1-CG2 4.46Å; Y183-V256 HydrophobicContact CD2-CG2 4.29Å; Y183-V256 HydrophobicContact CE1-CB 3.49Å; Y183-V256 VanDerWaalsContact CE1-CB 3.49Å; Y183-V256 HydrophobicContact CE1-CG1 3.89Å; Y183-V256 HydrophobicContact CE1-CG2 3.93Å; Y183-V256 HydrophobicContact CE2-CB 4.25Å; Y183-V256 HydrophobicContact CE2-CG2 3.72Å; Y183-V256 HydrophobicContact CG-CG1 4.39Å; V222-V256 HydrophobicContact CG1-CG1 4.13Å; L234-V256 HydrophobicContact CD1-CG2 4.25Å; E239-V256 WeakPolarHBondContact O-CG2 3.31Å; E239-V256 PolarHBondContact O-N 2.85Å; V241-V256 HydrophobicContact CB-CG1 4.44Å; V241-V256 HydrophobicContact CG1-CG1 4.02Å; V241-V256 HydrophobicContact CG1-CG2 4.21Å; V241-V256 HydrophobicContact CG2-CG1 3.71Å; V254-V256 HydrophobicContact CG1-CG1 4.14Å; V254-V256 PolarHBondContact O-N 2.69Å; V256-K261 VanDerWaalsContact O-CD 3.22Å; V256-K261 WeakPolarHBondContact O-CD 3.23Å; V256-K261 WeakPolarHBondContact O-CE 3.2Å; V256-K261 WeakPolarHBondContact O-CG 3.45Å
257A95.6Very high96.6Very high27 Ų2744.3 Ų44.322%0.22325%0.251CS..SBendtrans-143.1-173.9172.500000111E239E239-A257 PolarHBondContact O-N 2.91Å
258G94.3Very high96.5Very high42 Ų4244.7 Ų44.743%0.43325%0.253SS..SBendtrans70.4-170.3-178.900000114N260 K261G258-N260 PolarHBondContact O-N 2.74Å; G258-K261 PolarHBondContact O-N 3.06Å
259L93.7Very high96.4Very high184 Ų18446.8 Ų46.896%0.96327%0.265SS*.THydrogen-bonded Turntrans-66.1-22.2-177.4-65.9175.7000113.4
260N94.5Very high96.3Very high107 Ų10748.2 Ų48.257%0.57227%0.273SS*.THydrogen-bonded Turntrans-96.68-178.1-63.5-32.4000113.1H255 G258 G262 G263H255-N260 HydrophobicContact CB-CB 4.11Å; H255-N260 WeakPolarHBondContact CB-O 3.31Å; G258-N260 PolarHBondContact O-N 2.74Å; N260-G262 PolarHBondContact O-N 2.84Å; N260-G263 WeakPolarHBondContact O-CA 3.46Å; N260-G263 PolarHBondContact O-N 2.88Å
261K95.7Very high96.3Very high99 Ų9946 Ų4643%0.4326%0.264SS..THydrogen-bonded Turntrans-49.5131.4-178-177.3174.5-175175.20111.3E211 H255 V256 G258 G263E211-K261 IonicContact OE1-NZ 2.69Å; E211-K261 PolarHBondContact OE1-NZ 3.48Å; E211-K261 IonicContact OE2-NZ 3.15Å; H255-K261 WeakPolarHBondContact O-CA 3.45Å; V256-K261 VanDerWaalsContact O-CD 3.22Å; V256-K261 WeakPolarHBondContact O-CD 3.23Å; V256-K261 WeakPolarHBondContact O-CE 3.2Å; V256-K261 WeakPolarHBondContact O-CG 3.45Å; G258-K261 PolarHBondContact O-N 3.06Å; K261-G263 VanDerWaalsContact C-N 3.32Å
262G93.8Very high96.2Very high42 Ų4246 Ų4643%0.43326%0.264SS..THydrogen-bonded Turntrans86.8-4.8-175.600000114.2M223 H255 N260M223-G262 WeakPolarHBondContact CE-O 3.43Å; H255-G262 PolarHBondContact O-N 3.43Å; N260-G262 PolarHBondContact O-N 2.84Å
263G97.4Very high96.2Very high27 Ų2744.4 Ų44.428%0.27826%0.258SS..  trans-80162.9170.800000113H255 N260 K261H255-G263 PolarHBondContact N-O 2.75Å; N260-G263 WeakPolarHBondContact O-CA 3.46Å; N260-G263 PolarHBondContact O-N 2.88Å; K261-G263 VanDerWaalsContact C-N 3.32Å
264M97Very high96.2Very high51 Ų5142.7 Ų42.725%0.25125%0.252SS..EExtended strand (participates in β ladder)trans-152.1126.6179-176.1-178.948.500113M223 L226 R252 R253 V254M223-M264 HydrophobicContact CE-CB 3.67Å; M223-M264 HydrophobicContact CG-CE 4.44Å; M223-M264 HydrophobicContact CG-SD 3.99Å; M223-M264 HydrophobicContact SD-CB 4.11Å; M223-M264 HydrophobicContact SD-CE 3.84Å; M223-M264 HydrophobicContact SD-SD 4.01Å; L226-M264 HydrophobicContact CD2-CE 4.31Å; L226-M264 HydrophobicContact CD2-SD 3.69Å; R252-M264 HydrophobicContact CB-CG 4.08Å; R252-M264 HydrophobicContact CB-SD 3.92Å; R252-M264 HydrophobicContact CG-SD 3.92Å; R252-M264 PolarHBondContact NE-SD 2.85Å; R252-M264 VanDerWaalsContact NH2-CE 3.31Å; R252-M264 VanDerWaalsContact NH2-CG 3.31Å; R252-M264 PolarHBondContact NH2-O 2.78Å; R252-M264 VanDerWaalsContact NH2-O 3.13Å; R253-M264 CarbonylContact O-C 3.53Å; R253-M264 VanDerWaalsContact O-CA 3.25Å; R253-M264 WeakPolarHBondContact O-CA 3.46Å; R253-M264 WeakPolarHBondContact O-CG 3.44Å; V254-M264 HydrophobicContact CG2-CB 4.48Å; V254-M264 HydrophobicContact CG2-CG 3.9Å; V254-M264 HydrophobicContact CG2-SD 4.01Å
265D95.2Very high96.2Very high89 Ų8942.7 Ų42.748%0.47625%0.252SS..EExtended strand (participates in β ladder)trans-114.6171.5175.7-64.2-37.6000112.1R252 R253 H255R252-D265 WeakPolarHBondContact CA-O 3.34Å; R252-D265 PolarHBondContact NE-O 3.24Å; R253-D265 PolarHBondContact N-O 2.03Å; R253-D265 PolarHBondContact O-N 3.04Å; H255-D265 IonicContact CE1-OD2 3.72Å; H255-D265 IonicContact NE2-OD2 2.77Å; H255-D265 PolarHBondContact NE2-OD2 3.44Å
266T95.4Very high96.2Very high68 Ų6842.3 Ų42.342%0.41725%0.251SS..EExtended strand (participates in β ladder)trans-90.3124.1170.5-56.80000109.7R252 D269R252-T266 PolarHBondContact NH1-OG1 2.99Å; T266-D269 HydrophobicContact CG2-CB 3.84Å
267F96.4Very high96.2Very high11 Ų1142.3 Ų42.35%0.04825%0.251CS..EExtended strand (participates in β ladder)trans-87.2-48.4172.2-177.7-111.2000111.1L242 I251 R253 Y286 D339L242-F267 HydrophobicContact CD1-CD1 3.73Å; L242-F267 HydrophobicContact CD1-CE1 3.61Å; L242-F267 HydrophobicContact CD1-CE2 4.38Å; L242-F267 HydrophobicContact CD1-CG 4.26Å; L242-F267 HydrophobicContact CD1-CZ 3.95Å; L242-F267 HydrophobicContact CD2-CB 3.89Å; L242-F267 HydrophobicContact CD2-CD1 3.89Å; L242-F267 HydrophobicContact CD2-CD2 3.79Å; L242-F267 HydrophobicContact CD2-CE1 4.43Å; L242-F267 HydrophobicContact CD2-CE2 4.25Å; L242-F267 HydrophobicContact CD2-CG 3.58Å; L242-F267 HydrophobicContact CG-CD1 4.44Å; I251-F267 HydrophobicContact CB-CB 4.38Å; I251-F267 HydrophobicContact CB-CD1 4.22Å; I251-F267 HydrophobicContact CG2-CB 4.08Å; I251-F267 HydrophobicContact CG2-CD1 3.85Å; I251-F267 HydrophobicContact CG2-CG 4.39Å; I251-F267 WeakPolarHBondContact O-CB 3.38Å; I251-F267 PolarHBondContact O-N 2.65Å; R253-F267 HydrophobicContact CB-CB 4.38Å; F267-Y286 HydrophobicContact CE1-CD2 4.06Å; F267-Y286 HydrophobicContact CE1-CE2 4.44Å; F267-Y286 AromaticContact CZ-CD2 3.85Å; F267-Y286 HydrophobicContact CZ-CD2 3.85Å; F267-Y286 AromaticContact CZ-CE2 3.89Å; F267-Y286 HydrophobicContact CZ-CE2 3.89Å; F267-D339 HydrophobicContact CE2-CB 4.24Å; F267-D339 WeakPolarHBondContact CE2-OD1 3.48Å
268V96.3Very high96.3Very high11 Ų1141 Ų417%0.06724%0.24CC..EExtended strand (participates in β ladder)trans-138135.1172-164.30000108.2R250 I251 L271 I337R250-V268 WeakPolarHBondContact CA-O 3.22Å; R250-V268 VanDerWaalsContact CB-O 3.3Å; R250-V268 WeakPolarHBondContact CB-O 3.41Å; I251-V268 HydrophobicContact CB-CB 4.34Å; I251-V268 HydrophobicContact CB-CG2 4.28Å; I251-V268 HydrophobicContact CD1-CG2 4.13Å; I251-V268 PolarHBondContact N-O 3.39Å; I251-V268 PolarHBondContact O-N 2.92Å; I251-V268 VanDerWaalsContact O-N 3.09Å; V268-L271 HydrophobicContact CB-CD2 4.46Å; V268-L271 HydrophobicContact CG1-CD2 3.69Å; V268-L271 HydrophobicContact CG1-CG 4.14Å; V268-I337 HydrophobicContact CG2-CG2 3.9Å
269D94.7Very high96.5Very high65 Ų6539.2 Ų39.235%0.34822%0.221SC..  trans-110.7152.8172.6-157.218.8000110.8K43 T266 L271K43-D269 WeakPolarHBondContact CE-OD2 3.15Å; K43-D269 IonicContact NZ-OD2 3.92Å; K43-D269 PolarHBondContact NZ-OD2 2.87Å; T266-D269 HydrophobicContact CG2-CB 3.84Å; D269-L271 PolarHBondContact O-N 3.3Å
270N95.7Very high96.7Very high31 Ų3133.9 Ų33.917%0.16620%0.197CC..SBendtrans52.956.9168.1-16840.8000114.6K43 E44 P46 A249 R294K43-N270 HydrophobicContact CB-CB 4.26Å; K43-N270 HydrophobicContact CD-CB 4.34Å; K43-N270 PolarHBondContact O-OD1 2.83Å; E44-N270 PolarHBondContact O-ND2 2.78Å; P46-N270 WeakPolarHBondContact CD-O 3.42Å; P46-N270 WeakPolarHBondContact CG-O 3.46Å; A249-N270 PolarHBondContact O-N 2.86Å; N270-R294 PolarHBondContact OD1-NH1 3.49Å; N270-R294 PolarHBondContact OD1-NH2 2.84Å
271L97.3Very high96.8Very high2 Ų229.2 Ų29.21%0.0117%0.173CC..  trans-63.4152.8173.9-71.5167.2000111.8W52 A249 I251 V268 D269 G273 P275 M290 R294 I337W52-L271 HydrophobicContact CH2-CD2 4.08Å; W52-L271 HydrophobicContact CZ2-CD2 4.44Å; A249-L271 WeakPolarHBondContact O-CB 3.22Å; A249-L271 PolarHBondContact O-N 2.91Å; I251-L271 HydrophobicContact CD1-CD1 4.25Å; I251-L271 HydrophobicContact CG1-CD1 4.09Å; V268-L271 HydrophobicContact CB-CD2 4.46Å; V268-L271 HydrophobicContact CG1-CD2 3.69Å; V268-L271 HydrophobicContact CG1-CG 4.14Å; D269-L271 PolarHBondContact O-N 3.3Å; L271-G273 WeakPolarHBondContact CB-O 3.29Å; L271-G273 PolarHBondContact O-N 2.97Å; L271-G273 VanDerWaalsContact O-N 3.07Å; L271-P275 HydrophobicContact CD1-CB 3.81Å; L271-P275 HydrophobicContact CD1-CG 3.79Å; L271-M290 HydrophobicContact CB-SD 4.39Å; L271-R294 PolarHBondContact O-NH1 3.17Å; L271-I337 HydrophobicContact CD2-CD1 3.8Å
272P96.9Very high96.8Very high0 Ų029.2 Ų29.20%019%0.185CC..SBendtrans-714.7174.831.6-37.1000113.4P46 M48 W52 M290 V293 R294 L333P46-P272 HydrophobicContact CG-CB 3.96Å; P46-P272 HydrophobicContact CG-CG 4.45Å; M48-P272 HydrophobicContact SD-CB 3.68Å; W52-P272 HydrophobicContact CD2-CG 3.64Å; W52-P272 HydrophobicContact CE3-CG 3.43Å; W52-P272 VanDerWaalsContact CE3-CG 3.43Å; W52-P272 HydrophobicContact CG-CG 4.21Å; W52-P272 HydrophobicContact CH2-CG 4.04Å; W52-P272 HydrophobicContact CZ2-CG 4.24Å; W52-P272 HydrophobicContact CZ3-CG 3.62Å; P272-M290 HydrophobicContact CG-SD 4.49Å; P272-V293 CarbonylContact O-C 3.44Å; P272-V293 WeakPolarHBondContact O-CA 3.49Å; P272-V293 WeakPolarHBondContact O-CB 3.38Å; P272-R294 PolarHBondContact O-N 3.35Å; P272-L333 HydrophobicContact CG-CD2 4.06Å
273G97.3Very high96.7Very high0 Ų029.3 Ų29.30%018%0.179CC..BIsolated β-bridgetrans-162.8179.9178.700000111L271 P275 M290 A292L271-G273 WeakPolarHBondContact CB-O 3.29Å; L271-G273 PolarHBondContact O-N 2.97Å; L271-G273 VanDerWaalsContact O-N 3.07Å; G273-P275 WeakPolarHBondContact O-CD 3.4Å; G273-M290 VanDerWaalsContact C-SD 3.53Å; G273-M290 WeakPolarHBondContact CA-SD 3.11Å; G273-A292 VanDerWaalsContact CA-O 3.23Å; G273-A292 WeakPolarHBondContact CA-O 3.39Å
274F97.6Very high96.4Very high18 Ų1829.8 Ų29.88%0.07918%0.184CC..  trans-94.7111.5-176-56.2-76000108.9L42 T246 A249 M290 A292 R294 L302L42-F274 HydrophobicContact CD1-CE1 4.43Å; T246-F274 HydrophobicContact CG2-CB 3.82Å; T246-F274 VanDerWaalsContact O-CD1 3.22Å; T246-F274 WeakPolarHBondContact O-CD1 3.08Å; A249-F274 HydrophobicContact CB-CD1 4.09Å; A249-F274 HydrophobicContact CB-CE1 4.28Å; F274-M290 WeakPolarHBondContact O-CA 3.16Å; F274-M290 WeakPolarHBondContact O-CG 3.34Å; F274-A292 HydrophobicContact CD2-CB 3.89Å; F274-A292 PolarHBondContact N-O 3.02Å; F274-R294 HydrophobicContact CD2-CG 4.32Å; F274-R294 HydrophobicContact CE1-CG 4.07Å; F274-R294 HydrophobicContact CE2-CG 3.52Å; F274-R294 HydrophobicContact CZ-CG 3.37Å; F274-L302 HydrophobicContact CD2-CD1 4.09Å; F274-L302 HydrophobicContact CE1-CB 4.34Å; F274-L302 HydrophobicContact CE1-CD1 3.97Å; F274-L302 HydrophobicContact CE2-CB 4.23Å; F274-L302 HydrophobicContact CE2-CD1 3.52Å; F274-L302 HydrophobicContact CE2-CG 4.37Å; F274-L302 HydrophobicContact CZ-CB 3.59Å; F274-L302 HydrophobicContact CZ-CD1 3.44Å; F274-L302 VanDerWaalsContact CZ-CD1 3.44Å; F274-L302 HydrophobicContact CZ-CG 4.11Å
275P98.3Very high96.4Very high0 Ų028.4 Ų28.40%018%0.183CC..  trans-70.9148.9-171.329.9-36.7000111.8A244 T246 L271 G273 V288 S289A244-P275 HydrophobicContact CB-CB 3.9Å; A244-P275 HydrophobicContact CB-CG 3.99Å; T246-P275 WeakPolarHBondContact CB-O 3.31Å; T246-P275 PolarHBondContact OG1-O 3.25Å; L271-P275 HydrophobicContact CD1-CB 3.81Å; L271-P275 HydrophobicContact CD1-CG 3.79Å; G273-P275 WeakPolarHBondContact O-CD 3.4Å; P275-V288 HydrophobicContact CB-CG1 3.74Å; P275-S289 CarbonylContact C-O 2.89Å; P275-S289 WeakPolarHBondContact CA-O 3.45Å
276D98.3Very high96.5Very high14 Ų1425.3 Ų25.38%0.07517%0.165CC..  trans-120.5-131.8178.6-152.4-30.5000109.6N230 G231 A244 S289 S359N230-D276 VanDerWaalsContact CG-OD1 3.24Å; N230-D276 VanDerWaalsContact ND2-CG 3.33Å; N230-D276 PolarHBondContact ND2-OD1 2.96Å; N230-D276 PolarHBondContact OD1-OD1 2.91Å; N230-D276 VanDerWaalsContact OD1-OD1 3.11Å; G231-D276 PolarHBondContact N-O 3.5Å; A244-D276 WeakPolarHBondContact CB-O 3.17Å; D276-S289 PolarHBondContact N-O 3.26Å; D276-S359 WeakPolarHBondContact CB-O 3.29Å
277N98.6Very high96.7Very high0 Ų022 Ų220%015%0.145CC..  trans-62.8144.7177.9-71.8-33000113.9D172 R279 S289 S359 E360D172-N277 PolarHBondContact OD2-OD1 2.88Å; N277-R279 PolarHBondContact ND2-NH2 3.39Å; N277-S289 PolarHBondContact O-OG 2.71Å; N277-S359 WeakPolarHBondContact CB-O 3.3Å; N277-S359 PolarHBondContact N-O 2.94Å; N277-E360 HydrophobicContact CB-CB 3.86Å; N277-E360 HydrophobicContact CB-CG 3.83Å
278I98.6Very high96.8Very high0 Ų021.6 Ų21.60%014%0.143CC..EExtended strand (participates in β ladder)trans-115.1123.7178.8-54.8174.1000108.7Q233 L242 A244 I251 Y286 W287 V288Q233-I278 HydrophobicContact CB-CB 3.98Å; Q233-I278 HydrophobicContact CB-CG2 3.82Å; Q233-I278 HydrophobicContact CG-CG2 4.29Å; Q233-I278 PolarHBondContact OE1-O 2.88Å; L242-I278 HydrophobicContact CB-CD1 3.92Å; L242-I278 HydrophobicContact CD1-CG2 4.34Å; A244-I278 HydrophobicContact CB-CD1 4Å; A244-I278 HydrophobicContact CB-CG1 4.25Å; I251-I278 HydrophobicContact CD1-CD1 4.15Å; I251-I278 HydrophobicContact CG1-CD1 4.26Å; I251-I278 HydrophobicContact CG2-CD1 3.77Å; I278-Y286 HydrophobicContact CG2-CD1 3.96Å; I278-Y286 HydrophobicContact CG2-CG 3.99Å; I278-W287 WeakPolarHBondContact CA-O 3.25Å; I278-V288 HydrophobicContact CG1-CG2 4.36Å; I278-V288 HydrophobicContact CG2-CG2 4.38Å
279R98.3Very high96.9Very high5 Ų521 Ų212%0.01914%0.14CC..EExtended strand (participates in β ladder)trans-128.3150.5178.8-62.4-62.7172.4-93.10.2111.3S74 D172 N277 Y286 W287 E360 A361S74-R279 PolarHBondContact OG-NH2 2.8Å; D172-R279 IonicContact OD1-CZ 3.76Å; D172-R279 IonicContact OD1-NH2 2.66Å; D172-R279 PolarHBondContact OD1-NH2 3.12Å; D172-R279 IonicContact OD2-CZ 2.68Å; D172-R279 IonicContact OD2-NH1 2.76Å; D172-R279 PolarHBondContact OD2-NH1 2.87Å; D172-R279 IonicContact OD2-NH2 3.02Å; D172-R279 PolarHBondContact OD2-NH2 3.08Å; D172-R279 VanDerWaalsContact OD2-NH2 3.08Å; N277-R279 PolarHBondContact ND2-NH2 3.39Å; R279-Y286 CarbonylContact O-C 3.5Å; R279-Y286 WeakPolarHBondContact O-CA 3.31Å; R279-W287 PolarHBondContact N-O 3.25Å; R279-W287 PolarHBondContact O-N 3.1Å; R279-E360 HydrophobicContact CG-CG 3.61Å; R279-E360 IonicContact CZ-OE2 3.95Å; R279-E360 VanDerWaalsContact NE-CD 3.29Å; R279-E360 IonicContact NE-OE2 2.92Å; R279-E360 PolarHBondContact NE-OE2 3.32Å; R279-E360 IonicContact NH2-OE2 3.51Å; R279-E360 PolarHBondContact NH2-OE2 3.29Å; R279-A361 WeakPolarHBondContact CB-O 3.36Å
280P97.3Very high97Very high71 Ų7118 Ų1846%0.46112%0.123SC..EExtended strand (participates in β ladder)trans-64142.3178.927.3-34.5000111.1
281S96.9Very high97Very high10 Ų1017.2 Ų17.27%0.0712%0.121CC..  trans-94139.4168.7171.10000110.1S283 G284 G285 E336S281-S283 PolarHBondContact O-N 3.03Å; S281-S283 PolarHBondContact OG-N 2.77Å; S281-S283 PolarHBondContact OG-OG 3.08Å; S281-G284 PolarHBondContact O-N 3.26Å; S281-G285 PolarHBondContact N-O 3.33Å; S281-E336 VanDerWaalsContact OG-CD 3.23Å; S281-E336 PolarHBondContact OG-OE1 3.28Å
282S95Very high96.9Very high99 Ų9918.5 Ų18.569%0.69213%0.132SC*.THydrogen-bonded Turntrans-65.2-23176.676.60000112.6G284 E363S282-G284 VanDerWaalsContact C-N 3.32Å; S282-E363 VanDerWaalsContact CB-OE1 3.26Å; S282-E363 WeakPolarHBondContact CB-OE1 3.5Å; S282-E363 PolarHBondContact N-OE2 2.87Å; S282-E363 VanDerWaalsContact OG-CD 3.32Å; S282-E363 PolarHBondContact OG-OE1 3.33Å
283S91.8Very high96.8Very high44 Ų4419.7 Ų19.731%0.30814%0.139SC..THydrogen-bonded Turntrans-94.216.4178.353.80000114.5S281 E336 R344S281-S283 PolarHBondContact O-N 3.03Å; S281-S283 PolarHBondContact OG-N 2.77Å; S281-S283 PolarHBondContact OG-OG 3.08Å; S283-E336 PolarHBondContact OG-OE1 2.91Å; S283-R344 PolarHBondContact O-NH1 3.43Å; S283-R344 PolarHBondContact OG-NH1 3.26Å; S283-R344 VanDerWaalsContact OG-NH1 3.13Å
284G92.1Very high96.8Very high37 Ų3719.7 Ų19.738%0.38114%0.139SC..SBendtrans85.4147.1-177.500000112.4S281 S282S281-G284 PolarHBondContact O-N 3.26Å; S282-G284 VanDerWaalsContact C-N 3.32Å
285G95.5Very high96.6Very high22 Ų2220.8 Ų20.823%0.22715%0.148CC..SBendtrans83.3-150.8-171.900000112.3S281 I337S281-G285 PolarHBondContact N-O 3.33Å; G285-I337 CarbonylContact C-O 3.5Å; G285-I337 WeakPolarHBondContact CA-O 3.47Å
286Y98.3Very high96.5Very high23 Ų2321.8 Ų21.89%0.0915%0.154CC..EExtended strand (participates in β ladder)trans-144140.3-165.7-54.6-83.3000112.9Q233 L242 F267 I278 R279 E336 I337Q233-Y286 HydrophobicContact CG-CD1 3.83Å; Q233-Y286 HydrophobicContact CG-CE1 3.67Å; L242-Y286 HydrophobicContact CD1-CD1 4.14Å; L242-Y286 HydrophobicContact CD1-CD2 3.47Å; L242-Y286 VanDerWaalsContact CD1-CD2 3.47Å; L242-Y286 HydrophobicContact CD1-CE1 4.08Å; L242-Y286 HydrophobicContact CD1-CE2 3.43Å; L242-Y286 VanDerWaalsContact CD1-CE2 3.43Å; L242-Y286 HydrophobicContact CD1-CG 3.85Å; F267-Y286 HydrophobicContact CE1-CD2 4.06Å; F267-Y286 HydrophobicContact CE1-CE2 4.44Å; F267-Y286 AromaticContact CZ-CD2 3.85Å; F267-Y286 HydrophobicContact CZ-CD2 3.85Å; F267-Y286 AromaticContact CZ-CE2 3.89Å; F267-Y286 HydrophobicContact CZ-CE2 3.89Å; I278-Y286 HydrophobicContact CG2-CD1 3.96Å; I278-Y286 HydrophobicContact CG2-CG 3.99Å; R279-Y286 CarbonylContact O-C 3.5Å; R279-Y286 WeakPolarHBondContact O-CA 3.31Å; Y286-E336 CarbonylContact O-C 3.58Å; Y286-E336 WeakPolarHBondContact O-CA 3.34Å; Y286-I337 PolarHBondContact N-O 2.78Å; Y286-I337 PolarHBondContact O-N 2.54Å
287W98.6Very high96.3Very high0 Ų026.6 Ų26.60%019%0.185CC..EExtended strand (participates in β ladder)trans-80.5132164.2-67110000110.4I278 R279 V334 A335 E336 R345 F347 A361 E363 L368 L383I278-W287 WeakPolarHBondContact CA-O 3.25Å; R279-W287 PolarHBondContact N-O 3.25Å; R279-W287 PolarHBondContact O-N 3.1Å; W287-V334 HydrophobicContact CE3-CG1 3.77Å; W287-V334 HydrophobicContact CZ3-CG1 4.25Å; W287-A335 CarbonylContact C-O 3.59Å; W287-A335 WeakPolarHBondContact CA-O 3.46Å; W287-E336 HydrophobicContact CD2-CB 4.27Å; W287-E336 HydrophobicContact CD2-CG 4.3Å; W287-E336 HydrophobicContact CE3-CB 3.78Å; W287-E336 HydrophobicContact CE3-CG 4.31Å; W287-E336 HydrophobicContact CH2-CB 3.71Å; W287-E336 HydrophobicContact CH2-CG 4.14Å; W287-E336 HydrophobicContact CZ2-CB 4.19Å; W287-E336 HydrophobicContact CZ2-CG 4.1Å; W287-E336 HydrophobicContact CZ3-CB 3.49Å; W287-E336 VanDerWaalsContact CZ3-CB 3.49Å; W287-E336 HydrophobicContact CZ3-CG 4.25Å; W287-R345 HydrophobicContact CH2-CG 4.35Å; W287-F347 HydrophobicContact CH2-CD2 4.41Å; W287-F347 AromaticContact CH2-CE2 3.49Å; W287-F347 HydrophobicContact CH2-CE2 3.49Å; W287-F347 VanDerWaalsContact CH2-CE2 3.49Å; W287-F347 HydrophobicContact CH2-CZ 4.06Å; W287-F347 HydrophobicContact CZ3-CD2 4.1Å; W287-F347 AromaticContact CZ3-CE2 3.61Å; W287-F347 HydrophobicContact CZ3-CE2 3.61Å; W287-F347 HydrophobicContact CZ3-CZ 4.42Å; W287-A361 HydrophobicContact CB-CB 4.14Å; W287-E363 PolarHBondContact NE1-OE2 3.49Å; W287-L368 HydrophobicContact CD2-CD1 4.21Å; W287-L368 HydrophobicContact CD2-CD2 3.95Å; W287-L368 HydrophobicContact CE3-CD1 4.07Å; W287-L368 HydrophobicContact CG-CD2 4.13Å; W287-L368 HydrophobicContact CH2-CD1 3.84Å; W287-L368 HydrophobicContact CZ2-CD1 3.99Å; W287-L368 HydrophobicContact CZ2-CD2 4.09Å; W287-L368 HydrophobicContact CZ2-CG 4.4Å; W287-L368 HydrophobicContact CZ3-CD1 3.86Å; W287-L383 HydrophobicContact CH2-CD2 4.23Å; W287-L383 HydrophobicContact CZ2-CD1 4.21Å; W287-L383 HydrophobicContact CZ2-CD2 4.27Å
288V98.6Very high95.9Very high1 Ų129.4 Ų29.41%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-132122.9178.6-174.30000109.3I251 P275 I278 V334 A335 I337I251-V288 HydrophobicContact CD1-CG1 4.19Å; I251-V288 HydrophobicContact CD1-CG2 3.78Å; P275-V288 HydrophobicContact CB-CG1 3.74Å; I278-V288 HydrophobicContact CG1-CG2 4.36Å; I278-V288 HydrophobicContact CG2-CG2 4.38Å; V288-V334 WeakPolarHBondContact O-CA 2.96Å; V288-A335 PolarHBondContact N-O 2.76Å; V288-A335 PolarHBondContact O-N 2.68Å; V288-I337 HydrophobicContact CB-CD1 4.13Å; V288-I337 HydrophobicContact CG2-CD1 3.91Å; V288-I337 HydrophobicContact CG2-CG1 4.43Å
289S98.4Very high95.6Very high0 Ų035.5 Ų35.50%024%0.242CC..EExtended strand (participates in β ladder)trans-89.9146.2176.535.20000111.5P275 D276 N277 L333 S359 E360P275-S289 CarbonylContact C-O 2.89Å; P275-S289 WeakPolarHBondContact CA-O 3.45Å; D276-S289 PolarHBondContact N-O 3.26Å; N277-S289 PolarHBondContact O-OG 2.71Å; S289-L333 CarbonylContact C-O 3.45Å; S289-S359 PolarHBondContact OG-O 3.38Å; S289-E360 WeakPolarHBondContact OG-CA 3.34Å; S289-E360 PolarHBondContact OG-N 3.45Å
290M98.3Very high95.4Very high0 Ų035.9 Ų35.90%025%0.245CC..EExtended strand (participates in β ladder)trans-143.4108.2176.3-69.1171.8-93.800109.1W52 L271 P272 G273 F274 A292 L333 A335W52-M290 HydrophobicContact CZ3-CE 4.17Å; L271-M290 HydrophobicContact CB-SD 4.39Å; P272-M290 HydrophobicContact CG-SD 4.49Å; G273-M290 VanDerWaalsContact C-SD 3.53Å; G273-M290 WeakPolarHBondContact CA-SD 3.11Å; F274-M290 WeakPolarHBondContact O-CA 3.16Å; F274-M290 WeakPolarHBondContact O-CG 3.34Å; M290-A292 VanDerWaalsContact C-N 3.28Å; M290-L333 HydrophobicContact CB-CB 4.14Å; M290-L333 HydrophobicContact CB-CG 4.45Å; M290-L333 HydrophobicContact CE-CD2 3.49Å; M290-L333 VanDerWaalsContact CE-CD2 3.49Å; M290-L333 HydrophobicContact CE-CG 3.67Å; M290-L333 PolarHBondContact N-O 3.39Å; M290-L333 PolarHBondContact O-N 3.31Å; M290-L333 HydrophobicContact SD-CD2 3.91Å; M290-L333 HydrophobicContact SD-CG 4.46Å; M290-A335 HydrophobicContact CE-CB 4.09Å
291A95.4Very high95.1Very high16 Ų1637.5 Ų37.513%0.13225%0.248CC..SBendtrans-82.4-3.8176.300000114.1Y331 V358 F373A291-Y331 CarbonylContact C-O 3.27Å; A291-V358 WeakPolarHBondContact CB-O 3.4Å; A291-F373 HydrophobicContact CB-CE1 3.62Å; A291-F373 HydrophobicContact CB-CZ 4.2Å
292A94.5Very high94.9Very high28 Ų2838.9 Ų38.923%0.23125%0.254CS..SBendtrans-145.7137.1174.100000109.5G273 F274 M290G273-A292 VanDerWaalsContact CA-O 3.23Å; G273-A292 WeakPolarHBondContact CA-O 3.39Å; F274-A292 HydrophobicContact CD2-CB 3.89Å; F274-A292 PolarHBondContact N-O 3.02Å; M290-A292 VanDerWaalsContact C-N 3.28Å
293V95.9Very high94.9Very high25 Ų2535.6 Ų35.615%0.15223%0.229CC..BIsolated β-bridgetrans-110.8160.3-177.9-62.50000111.6P272 P295 Y331 L333P272-V293 CarbonylContact O-C 3.44Å; P272-V293 WeakPolarHBondContact O-CA 3.49Å; P272-V293 WeakPolarHBondContact O-CB 3.38Å; V293-P295 WeakPolarHBondContact O-CD 3.33Å; V293-Y331 HydrophobicContact CB-CD1 4.36Å; V293-Y331 HydrophobicContact CB-CG 4.34Å; V293-Y331 HydrophobicContact CG1-CD1 3.39Å; V293-Y331 HydrophobicContact CG1-CD2 4.44Å; V293-Y331 HydrophobicContact CG1-CE1 3.74Å; V293-Y331 HydrophobicContact CG1-CG 3.82Å; V293-Y331 HydrophobicContact CG2-CD1 4.02Å; V293-Y331 HydrophobicContact CG2-CD2 3.53Å; V293-Y331 HydrophobicContact CG2-CE1 4.49Å; V293-Y331 HydrophobicContact CG2-CE2 3.98Å; V293-Y331 HydrophobicContact CG2-CG 3.55Å; V293-L333 HydrophobicContact CG1-CB 4.11Å; V293-L333 HydrophobicContact CG1-CD2 4.08Å
294R96.6Very high95Very high0 Ų037.4 Ų37.40%023%0.231CC..  trans-113.281.9176.3-61.6169.760.7-140.9-1.7107.2K43 P45 N270 L271 P272 F274 N296 D303K43-R294 PolarHBondContact O-NH2 3.18Å; P45-R294 HydrophobicContact CB-CB 3.71Å; P45-R294 VanDerWaalsContact CB-O 3.29Å; P45-R294 WeakPolarHBondContact CB-O 3.47Å; P45-R294 HydrophobicContact CG-CB 3.98Å; N270-R294 PolarHBondContact OD1-NH1 3.49Å; N270-R294 PolarHBondContact OD1-NH2 2.84Å; L271-R294 PolarHBondContact O-NH1 3.17Å; P272-R294 PolarHBondContact O-N 3.35Å; F274-R294 HydrophobicContact CD2-CG 4.32Å; F274-R294 HydrophobicContact CE1-CG 4.07Å; F274-R294 HydrophobicContact CE2-CG 3.52Å; F274-R294 HydrophobicContact CZ-CG 3.37Å; R294-N296 PolarHBondContact O-N 3.22Å; R294-D303 WeakPolarHBondContact CG-OD2 3.42Å; R294-D303 IonicContact CZ-OD1 2.99Å; R294-D303 IonicContact CZ-OD2 3.33Å; R294-D303 IonicContact NE-OD1 3.41Å; R294-D303 PolarHBondContact NE-OD1 3.43Å; R294-D303 VanDerWaalsContact NE-OD1 3.15Å; R294-D303 IonicContact NE-OD2 2.77Å; R294-D303 PolarHBondContact NE-OD2 2.7Å; R294-D303 IonicContact NH2-OD1 3.11Å; R294-D303 PolarHBondContact NH2-OD1 2.89Å; R294-D303 IonicContact NH2-OD2 2.65Å
295P93.9Very high95.2Very high41 Ų4135.8 Ų35.827%0.26621%0.214SC..  trans-65.9131.8-168.826.9-35.2000111.8V293 G298V293-P295 WeakPolarHBondContact O-CD 3.33Å; P295-G298 CarbonylContact O-C 3.59Å; P295-G298 PolarHBondContact O-N 3.3Å
296N94.5Very high95.2Very high22 Ų2234.9 Ų34.912%0.11820%0.204CC..SBendtrans-132.9116.1166.5-169.3-5.6000110.1E44 P45 Q47 M48 R294E44-N296 PolarHBondContact OE1-ND2 2.88Å; P45-N296 HydrophobicContact CB-CB 4.47Å; P45-N296 HydrophobicContact CG-CB 4.17Å; P45-N296 WeakPolarHBondContact O-CB 3.29Å; P45-N296 PolarHBondContact O-ND2 2.84Å; Q47-N296 WeakPolarHBondContact CA-O 3.1Å; M48-N296 PolarHBondContact N-O 3.1Å; R294-N296 PolarHBondContact O-N 3.22Å
297P94.2Very high95Very high114 Ų11438.5 Ų38.574%0.7422%0.222SC*.SBendcis-70.5149-0.931.2-35.7000111.8
298G92.1Very high94.9Very high60 Ų6043 Ų4362%0.61924%0.238SC*.SBendtrans151.8175.517800000112.7P295P295-G298 CarbonylContact O-C 3.59Å; P295-G298 PolarHBondContact O-N 3.3Å
299F92.3Very high94.8Very high128 Ų12844.4 Ų44.456%0.56125%0.248SC*.  trans-97.5121.6174.9178-104000110M301 F304F299-M301 HydrophobicContact CE1-CB 3.94Å; F299-M301 HydrophobicContact CE1-CE 3.77Å; F299-M301 HydrophobicContact CE1-SD 3.85Å; F299-M301 HydrophobicContact CZ-CE 4.28Å; F299-M301 HydrophobicContact CZ-SD 3.9Å; F299-F304 HydrophobicContact CE2-CB 3.61Å; F299-F304 HydrophobicContact CE2-CD1 4.42Å; F299-F304 HydrophobicContact CE2-CD2 4.15Å; F299-F304 AromaticContact CE2-CG 3.81Å; F299-F304 HydrophobicContact CE2-CG 3.81Å; F299-F304 HydrophobicContact CZ-CB 3.75Å; F299-F304 HydrophobicContact CZ-CD1 4.13Å; F299-F304 AromaticContact CZ-CG 3.93Å; F299-F304 HydrophobicContact CZ-CG 3.93Å
300S92.8Very high94.6Very high13 Ų1352.2 Ų52.29%0.09128%0.277CS..  trans-104.2116167.7177.30000109.9L302 D303 F304S300-L302 PolarHBondContact O-N 2.8Å; S300-D303 WeakPolarHBondContact CB-OD2 3.46Å; S300-D303 PolarHBondContact O-N 3.26Å; S300-D303 PolarHBondContact OG-OD2 3.47Å; S300-F304 PolarHBondContact O-N 3.13Å
301M92.3Very high94.4Very high105 Ų10553.4 Ų53.452%0.51729%0.285SS..Hα-helixtrans-63-42.5-179.1-177.363.88200111.7F299 F304 L305F299-M301 HydrophobicContact CE1-CB 3.94Å; F299-M301 HydrophobicContact CE1-CE 3.77Å; F299-M301 HydrophobicContact CE1-SD 3.85Å; F299-M301 HydrophobicContact CZ-CE 4.28Å; F299-M301 HydrophobicContact CZ-SD 3.9Å; M301-F304 PolarHBondContact O-N 2.78Å; M301-L305 HydrophobicContact CG-CD1 3.72Å; M301-L305 HydrophobicContact CG-CG 4.29Å; M301-L305 WeakPolarHBondContact O-CB 3.38Å; M301-L305 VanDerWaalsContact O-CG 3.26Å; M301-L305 WeakPolarHBondContact O-CG 3.12Å; M301-L305 PolarHBondContact O-N 3.41Å; M301-L305 HydrophobicContact SD-CD1 3.75Å; M301-L305 HydrophobicContact SD-CG 3.99Å
302L92.5Very high94.4Very high39 Ų3952.8 Ų52.820%0.20428%0.279CS..Hα-helixtrans-68-39.7-178.4-75.4-177.9000111.9I200 M201 F274 S300 L305 S306I200-L302 HydrophobicContact CG2-CD1 3.84Å; I200-L302 HydrophobicContact CG2-CD2 3.86Å; M201-L302 HydrophobicContact SD-CD2 3.39Å; M201-L302 WeakPolarHBondContact SD-CD2 3.4Å; F274-L302 HydrophobicContact CD2-CD1 4.09Å; F274-L302 HydrophobicContact CE1-CB 4.34Å; F274-L302 HydrophobicContact CE1-CD1 3.97Å; F274-L302 HydrophobicContact CE2-CB 4.23Å; F274-L302 HydrophobicContact CE2-CD1 3.52Å; F274-L302 HydrophobicContact CE2-CG 4.37Å; F274-L302 HydrophobicContact CZ-CB 3.59Å; F274-L302 HydrophobicContact CZ-CD1 3.44Å; F274-L302 VanDerWaalsContact CZ-CD1 3.44Å; F274-L302 HydrophobicContact CZ-CG 4.11Å; S300-L302 PolarHBondContact O-N 2.8Å; L302-L305 PolarHBondContact O-N 2.88Å; L302-S306 WeakPolarHBondContact O-CB 3.43Å; L302-S306 PolarHBondContact O-N 3.39Å
303D94.3Very high94.4Very high29 Ų2955.2 Ų55.216%0.15528%0.284CS..Hα-helixtrans-61-44.8172.2-70.2-105.2000111.9R294 S300 L305 S306R294-D303 WeakPolarHBondContact CG-OD2 3.42Å; R294-D303 IonicContact CZ-OD1 2.99Å; R294-D303 IonicContact CZ-OD2 3.33Å; R294-D303 IonicContact NE-OD1 3.41Å; R294-D303 PolarHBondContact NE-OD1 3.43Å; R294-D303 VanDerWaalsContact NE-OD1 3.15Å; R294-D303 IonicContact NE-OD2 2.77Å; R294-D303 PolarHBondContact NE-OD2 2.7Å; R294-D303 IonicContact NH2-OD1 3.11Å; R294-D303 PolarHBondContact NH2-OD1 2.89Å; R294-D303 IonicContact NH2-OD2 2.65Å; S300-D303 WeakPolarHBondContact CB-OD2 3.46Å; S300-D303 PolarHBondContact O-N 3.26Å; S300-D303 PolarHBondContact OG-OD2 3.47Å; D303-L305 VanDerWaalsContact C-N 3.32Å; D303-L305 PolarHBondContact O-N 3.41Å; D303-S306 PolarHBondContact O-N 3.07Å; D303-S306 PolarHBondContact O-OG 2.72Å
304F94.6Very high94.3Very high82 Ų8255.8 Ų55.836%0.3629%0.286SS..Hα-helixtrans-62.3-41176.4175-100.4000112.1F299 S300 M301 R308F299-F304 HydrophobicContact CE2-CB 3.61Å; F299-F304 HydrophobicContact CE2-CD1 4.42Å; F299-F304 HydrophobicContact CE2-CD2 4.15Å; F299-F304 AromaticContact CE2-CG 3.81Å; F299-F304 HydrophobicContact CE2-CG 3.81Å; F299-F304 HydrophobicContact CZ-CB 3.75Å; F299-F304 HydrophobicContact CZ-CD1 4.13Å; F299-F304 AromaticContact CZ-CG 3.93Å; F299-F304 HydrophobicContact CZ-CG 3.93Å; S300-F304 PolarHBondContact O-N 3.13Å; M301-F304 PolarHBondContact O-N 2.78Å; F304-R308 WeakPolarHBondContact O-CD 3.48Å; F304-R308 PolarHBondContact O-NH1 3.09Å
305L95.5Very high94.2Very high4 Ų457.6 Ų57.62%0.02130%0.296CS..Hα-helixtrans-79.9-20.4-177.4-67.4178.1000113.2M201 M301 L302 D303 Q307 R308 V311 K312 I315M201-L305 HydrophobicContact CE-CB 4.46Å; M201-L305 HydrophobicContact CE-CD1 3.44Å; M201-L305 VanDerWaalsContact CE-CD1 3.44Å; M301-L305 HydrophobicContact CG-CD1 3.72Å; M301-L305 HydrophobicContact CG-CG 4.29Å; M301-L305 WeakPolarHBondContact O-CB 3.38Å; M301-L305 VanDerWaalsContact O-CG 3.26Å; M301-L305 WeakPolarHBondContact O-CG 3.12Å; M301-L305 PolarHBondContact O-N 3.41Å; M301-L305 HydrophobicContact SD-CD1 3.75Å; M301-L305 HydrophobicContact SD-CG 3.99Å; L302-L305 PolarHBondContact O-N 2.88Å; D303-L305 VanDerWaalsContact C-N 3.32Å; D303-L305 PolarHBondContact O-N 3.41Å; L305-Q307 VanDerWaalsContact C-N 3.25Å; L305-Q307 PolarHBondContact O-N 2.88Å; L305-Q307 VanDerWaalsContact O-N 3.16Å; L305-R308 PolarHBondContact O-N 3.09Å; L305-V311 HydrophobicContact CD2-CB 4.05Å; L305-V311 HydrophobicContact CD2-CG1 3.56Å; L305-K312 HydrophobicContact CB-CG 4.08Å; L305-K312 WeakPolarHBondContact O-CE 3.37Å; L305-I315 HydrophobicContact CD1-CD1 3.99Å; L305-I315 HydrophobicContact CD2-CD1 4.08Å
306S94.7Very high94.2Very high3 Ų356.2 Ų56.22%0.02129%0.286CS..Hα-helixtrans-55.9-38.1-171.783.50000113.3A39 F40 L302 D303A39-S306 WeakPolarHBondContact CA-O 3.48Å; F40-S306 PolarHBondContact N-O 2.89Å; F40-S306 VanDerWaalsContact N-O 3.08Å; F40-S306 CarbonylContact O-C 3.4Å; F40-S306 VanDerWaalsContact O-CB 3.28Å; F40-S306 WeakPolarHBondContact O-CB 3.3Å; F40-S306 PolarHBondContact O-OG 2.87Å; L302-S306 WeakPolarHBondContact O-CB 3.43Å; L302-S306 PolarHBondContact O-N 3.39Å; D303-S306 PolarHBondContact O-N 3.07Å; D303-S306 PolarHBondContact O-OG 2.72Å
307Q95.4Very high94.2Very high98 Ų9856.9 Ų56.946%0.45829%0.287SS..THydrogen-bonded Turntrans-94.47.9179.3-66.4-68.8-6.200113.7F40 S41 L305 P309F40-Q307 PolarHBondContact O-NE2 3.27Å; F40-Q307 VanDerWaalsContact O-NE2 3.12Å; S41-Q307 VanDerWaalsContact CA-NE2 3.27Å; S41-Q307 VanDerWaalsContact CB-NE2 3.32Å; S41-Q307 PolarHBondContact OG-NE2 3.27Å; L305-Q307 VanDerWaalsContact C-N 3.25Å; L305-Q307 PolarHBondContact O-N 2.88Å; L305-Q307 VanDerWaalsContact O-N 3.16Å; Q307-P309 VanDerWaalsContact C-CD 3.44Å; Q307-P309 WeakPolarHBondContact O-CD 3.47Å
308R96.4Very high94Very high94 Ų9454.8 Ų54.836%0.35527%0.27SS..  trans-12764-173.4-63.3176.7176.274.53112.9F304 L305 W310 V311 K312F304-R308 WeakPolarHBondContact O-CD 3.48Å; F304-R308 PolarHBondContact O-NH1 3.09Å; L305-R308 PolarHBondContact O-N 3.09Å; R308-W310 VanDerWaalsContact C-N 3.26Å; R308-W310 PolarHBondContact O-N 2.98Å; R308-V311 HydrophobicContact CB-CB 4.06Å; R308-V311 HydrophobicContact CB-CG2 3.81Å; R308-V311 PolarHBondContact O-N 3.15Å; R308-K312 PolarHBondContact O-N 3.44Å
309P95.8Very high94.1Very high31 Ų3157 Ų5720%0.20126%0.262CS..Hα-helixtrans-52.5-39.4179.8-30.237.3000114.8P37 A39 Q307 V311 K312 K313P37-P309 HydrophobicContact CB-CB 4.18Å; P37-P309 HydrophobicContact CG-CB 3.95Å; P37-P309 VanDerWaalsContact CG-O 3.3Å; P37-P309 WeakPolarHBondContact CG-O 3.15Å; P37-P309 WeakPolarHBondContact O-CB 3.26Å; A39-P309 HydrophobicContact CB-CG 3.8Å; Q307-P309 VanDerWaalsContact C-CD 3.44Å; Q307-P309 WeakPolarHBondContact O-CD 3.47Å; P309-V311 VanDerWaalsContact C-N 3.3Å; P309-V311 PolarHBondContact O-N 3.14Å; P309-K312 PolarHBondContact O-N 2.69Å; P309-K313 PolarHBondContact O-N 3.32Å
310W94.2Very high94.1Very high164 Ų16453.8 Ų53.862%0.62126%0.256SS*.Hα-helixtrans-64.5-35.1-179.471.4-94.3000112.5R308 K313 L314R308-W310 VanDerWaalsContact C-N 3.26Å; R308-W310 PolarHBondContact O-N 2.98Å; W310-K313 PolarHBondContact O-N 3.49Å; W310-L314 PolarHBondContact O-N 3.1Å
311V94.8Very high94.1Very high26 Ų2654 Ų5416%0.15826%0.255CS..Hα-helixtrans-68.2-44.7175.5-177.90000109.7L305 R308 P309 K313 L314 I315L305-V311 HydrophobicContact CD2-CB 4.05Å; L305-V311 HydrophobicContact CD2-CG1 3.56Å; R308-V311 HydrophobicContact CB-CB 4.06Å; R308-V311 HydrophobicContact CB-CG2 3.81Å; R308-V311 PolarHBondContact O-N 3.15Å; P309-V311 VanDerWaalsContact C-N 3.3Å; P309-V311 PolarHBondContact O-N 3.14Å; V311-K313 VanDerWaalsContact C-N 3.33Å; V311-K313 PolarHBondContact O-N 3.28Å; V311-L314 PolarHBondContact O-N 3.46Å; V311-I315 HydrophobicContact CG1-CD1 3.84Å; V311-I315 HydrophobicContact CG1-CG1 4.34Å; V311-I315 WeakPolarHBondContact O-CG1 3.43Å; V311-I315 PolarHBondContact O-N 3.19Å
312K95.4Very high94Very high3 Ų352.6 Ų52.61%0.01325%0.25CS..Hα-helixtrans-57.9-45.6175.7-55.7-170.5-155.8170.60111.1I35 P37 M201 L305 R308 P309 L314 I315 F316I35-K312 HydrophobicContact CD1-CB 3.95Å; P37-K312 HydrophobicContact CB-CB 4.22Å; P37-K312 HydrophobicContact CB-CD 3.9Å; P37-K312 HydrophobicContact CG-CB 4.03Å; M201-K312 HydrophobicContact CB-CD 4.44Å; M201-K312 HydrophobicContact CE-CB 4.29Å; M201-K312 HydrophobicContact CE-CD 4.08Å; M201-K312 HydrophobicContact CE-CG 3.91Å; M201-K312 WeakPolarHBondContact O-CD 3.48Å; M201-K312 WeakPolarHBondContact O-CE 3.38Å; M201-K312 PolarHBondContact O-NZ 2.88Å; L305-K312 HydrophobicContact CB-CG 4.08Å; L305-K312 WeakPolarHBondContact O-CE 3.37Å; R308-K312 PolarHBondContact O-N 3.44Å; P309-K312 PolarHBondContact O-N 2.69Å; K312-L314 PolarHBondContact O-N 2.86Å; K312-I315 PolarHBondContact O-N 2.7Å; K312-F316 WeakPolarHBondContact O-CD2 3.06Å; K312-F316 PolarHBondContact O-N 3.42Å
313K94.8Very high94Very high79 Ų7954.3 Ų54.334%0.34326%0.262SS..Hα-helixtrans-56.8-48.2174.8-73.4-174.5177.5-177.80111.6P37 P309 W310 V311 I315 F316 K317P37-K313 HydrophobicContact CG-CD 4.5Å; P37-K313 HydrophobicContact CG-CG 3.68Å; P309-K313 PolarHBondContact O-N 3.32Å; W310-K313 PolarHBondContact O-N 3.49Å; V311-K313 VanDerWaalsContact C-N 3.33Å; V311-K313 PolarHBondContact O-N 3.28Å; K313-I315 PolarHBondContact O-N 2.82Å; K313-F316 PolarHBondContact O-N 2.89Å; K313-K317 VanDerWaalsContact O-CG 3.29Å; K313-K317 WeakPolarHBondContact O-CG 3.41Å; K313-K317 PolarHBondContact O-N 3.37Å
314L93.6Very high93.9Very high36 Ų3654.9 Ų54.919%0.18827%0.265CS..Hα-helixtrans-61.8-43.7179.4-177.961.8000112L24 W310 V311 K312 F316 K317 L318L24-L314 HydrophobicContact CD2-CD1 4.13Å; L24-L314 HydrophobicContact CD2-CD2 4.41Å; W310-L314 PolarHBondContact O-N 3.1Å; V311-L314 PolarHBondContact O-N 3.46Å; K312-L314 PolarHBondContact O-N 2.86Å; L314-F316 PolarHBondContact O-N 3.42Å; L314-K317 PolarHBondContact O-N 3.24Å; L314-L318 HydrophobicContact CD1-CD1 3.99Å; L314-L318 HydrophobicContact CD1-CG 4.4Å; L314-L318 HydrophobicContact CG-CD1 4.04Å; L314-L318 WeakPolarHBondContact O-CG 3.42Å; L314-L318 PolarHBondContact O-N 3.37Å
315I93.9Very high93.7Very high39 Ų3952.3 Ų52.320%0.226%0.255CS..Hα-helixtrans-58.3-48.8177.8-70.5168.3000110.9L305 V311 K312 K313 K317 L318 F319 L324L305-I315 HydrophobicContact CD1-CD1 3.99Å; L305-I315 HydrophobicContact CD2-CD1 4.08Å; V311-I315 HydrophobicContact CG1-CD1 3.84Å; V311-I315 HydrophobicContact CG1-CG1 4.34Å; V311-I315 WeakPolarHBondContact O-CG1 3.43Å; V311-I315 PolarHBondContact O-N 3.19Å; K312-I315 PolarHBondContact O-N 2.7Å; K313-I315 PolarHBondContact O-N 2.82Å; I315-K317 VanDerWaalsContact C-N 3.33Å; I315-K317 PolarHBondContact O-N 2.71Å; I315-L318 PolarHBondContact O-N 3.19Å; I315-L318 VanDerWaalsContact O-N 3.13Å; I315-F319 PolarHBondContact O-N 3.02Å; I315-L324 HydrophobicContact CG2-CD1 3.69Å; I315-L324 HydrophobicContact CG2-CD2 3.75Å; I315-L324 HydrophobicContact CG2-CG 4.38Å
316F94.3Very high93.4Very high12 Ų1260.5 Ų60.55%0.05329%0.29CS..Hα-helixtrans-77.6-14.1-177.1-82.7-100.2000114.4P34 I35 L197 H198 M201 K312 K313 L314 Q321 L324P34-F316 HydrophobicContact CG-CB 4.03Å; P34-F316 HydrophobicContact CG-CD1 4.34Å; I35-F316 HydrophobicContact CD1-CB 4.17Å; I35-F316 HydrophobicContact CD1-CD2 3.66Å; I35-F316 HydrophobicContact CD1-CE2 4.2Å; I35-F316 HydrophobicContact CD1-CG 3.87Å; I35-F316 HydrophobicContact CG1-CB 4.08Å; I35-F316 HydrophobicContact CG1-CD2 4.45Å; I35-F316 HydrophobicContact CG1-CG 4.18Å; L197-F316 HydrophobicContact CD2-CZ 4.2Å; L197-F316 HydrophobicContact CG-CZ 4.07Å; H198-F316 AromaticContact CD2-CD1 3.81Å; H198-F316 AromaticContact CD2-CE1 3.93Å; H198-F316 AromaticContact NE2-CD1 3.61Å; H198-F316 AromaticContact NE2-CE1 3.85Å; M201-F316 HydrophobicContact CB-CE2 3.75Å; M201-F316 HydrophobicContact CB-CZ 3.93Å; M201-F316 HydrophobicContact CE-CE2 3.82Å; M201-F316 HydrophobicContact CG-CE2 3.55Å; M201-F316 HydrophobicContact CG-CZ 3.62Å; K312-F316 WeakPolarHBondContact O-CD2 3.06Å; K312-F316 PolarHBondContact O-N 3.42Å; K313-F316 PolarHBondContact O-N 2.89Å; L314-F316 PolarHBondContact O-N 3.42Å; F316-Q321 HydrophobicContact CE1-CB 4.4Å; F316-L324 HydrophobicContact CD1-CD1 4.47Å; F316-L324 HydrophobicContact CD2-CD1 4.2Å; F316-L324 HydrophobicContact CE1-CD1 4.11Å; F316-L324 HydrophobicContact CE2-CD1 3.78Å; F316-L324 HydrophobicContact CZ-CD1 3.73Å
317K93.5Very high93Very high36 Ų3664.4 Ų64.416%0.15732%0.323CS..Hα-helixtrans-74.3-29.9165.1-73.9178.2-172-153.20112.3I27 F28 L31 K313 L314 I315I27-K317 HydrophobicContact CG2-CB 4.38Å; F28-K317 PolarHBondContact O-NZ 3.45Å; L31-K317 HydrophobicContact CB-CB 4.4Å; L31-K317 HydrophobicContact CB-CD 4.26Å; L31-K317 HydrophobicContact CB-CG 4.24Å; L31-K317 WeakPolarHBondContact O-CD 3.42Å; L31-K317 WeakPolarHBondContact O-CE 3.47Å; L31-K317 PolarHBondContact O-NZ 3.33Å; K313-K317 VanDerWaalsContact O-CG 3.29Å; K313-K317 WeakPolarHBondContact O-CG 3.41Å; K313-K317 PolarHBondContact O-N 3.37Å; L314-K317 PolarHBondContact O-N 3.24Å; I315-K317 VanDerWaalsContact C-N 3.33Å; I315-K317 PolarHBondContact O-N 2.71Å
318L91.5Very high92.7Very high70 Ų7062.6 Ų62.637%0.36632%0.318SS..Hα-helixtrans-96.2-33.3-173.7-68.1172.4000113.3L24 I27 L314 I315L24-L318 HydrophobicContact CD2-CD1 3.97Å; I27-L318 HydrophobicContact CD1-CD2 3.79Å; I27-L318 HydrophobicContact CG2-CD2 3.86Å; L314-L318 HydrophobicContact CD1-CD1 3.99Å; L314-L318 HydrophobicContact CD1-CG 4.4Å; L314-L318 HydrophobicContact CG-CD1 4.04Å; L314-L318 WeakPolarHBondContact O-CG 3.42Å; L314-L318 PolarHBondContact O-N 3.37Å; I315-L318 PolarHBondContact O-N 3.19Å; I315-L318 VanDerWaalsContact O-N 3.13Å
319F93.3Very high92.4Very high105 Ų10562.7 Ų62.746%0.46133%0.331SS..SBendtrans-131.1137.5-172.5-57.5-74.6000111.1I315 V323 L324I315-F319 PolarHBondContact O-N 3.02Å; F319-V323 HydrophobicContact CD1-CG1 4.24Å; F319-L324 HydrophobicContact CB-CD1 4.29Å; F319-L324 HydrophobicContact CB-CD2 3.8Å; F319-L324 HydrophobicContact CB-CG 3.89Å; F319-L324 HydrophobicContact CD2-CD2 4.4Å; F319-L324 HydrophobicContact CG-CD2 4.27Å
320S92.1Very high92.2Very high62 Ų6268 Ų6843%0.43435%0.347SS..  trans-73.4155.9169.772.50000111.1D322 V323 L324S320-D322 PolarHBondContact O-N 3.3Å; S320-V323 PolarHBondContact O-N 2.77Å; S320-V323 VanDerWaalsContact O-N 3.09Å; S320-L324 WeakPolarHBondContact O-CG 3.25Å; S320-L324 PolarHBondContact O-N 2.7Å; S320-L324 VanDerWaalsContact O-N 3.12Å
321Q92.8Very high92.3Very high17 Ų1761.3 Ų61.38%0.07932%0.322CS..Hα-helixtrans-56.3-32174.962.4-174.2-42.900113.4D195 L197 H198 F316 V323 L324 I325D195-Q321 PolarHBondContact OD1-NE2 3.4Å; L197-Q321 HydrophobicContact CB-CB 4.15Å; L197-Q321 HydrophobicContact CD2-CB 3.82Å; H198-Q321 PolarHBondContact CE1-NE2 3.13Å; H198-Q321 PolarHBondContact ND1-NE2 3.05Å; H198-Q321 VanDerWaalsContact ND1-NE2 3.19Å; H198-Q321 PolarHBondContact ND1-OE1 3.48Å; F316-Q321 HydrophobicContact CE1-CB 4.4Å; Q321-V323 VanDerWaalsContact C-N 3.29Å; Q321-V323 PolarHBondContact O-N 3.31Å; Q321-L324 PolarHBondContact O-N 3.47Å; Q321-I325 WeakPolarHBondContact O-CB 3.49Å; Q321-I325 WeakPolarHBondContact O-CG2 3.12Å; Q321-I325 PolarHBondContact O-N 3.25Å
322D91Very high92.4Very high76 Ų7660.1 Ų60.141%0.40631%0.314SS..Hα-helixtrans-68.6-28.1179.7-57.4-42.7000112.8R113 S320 I325 K326R113-D322 IonicContact CZ-OD1 3.27Å; R113-D322 IonicContact NH1-OD1 3.97Å; R113-D322 PolarHBondContact NH1-OD1 3.25Å; R113-D322 IonicContact NH1-OD2 3.87Å; R113-D322 PolarHBondContact NH1-OD2 3.45Å; R113-D322 IonicContact NH2-OD1 3.92Å; S320-D322 PolarHBondContact O-N 3.3Å; D322-I325 WeakPolarHBondContact O-CG2 3.39Å; D322-K326 WeakPolarHBondContact O-CE 3.39Å
323V92.8Very high92.5Very high75 Ų7560 Ų6046%0.45531%0.313SS..Hα-helixtrans-77.4-47.7171.8175.40000109.7F319 S320 Q321 I325 K326F319-V323 HydrophobicContact CD1-CG1 4.24Å; S320-V323 PolarHBondContact O-N 2.77Å; S320-V323 VanDerWaalsContact O-N 3.09Å; Q321-V323 VanDerWaalsContact C-N 3.29Å; Q321-V323 PolarHBondContact O-N 3.31Å; V323-I325 VanDerWaalsContact C-N 3.34Å; V323-I325 PolarHBondContact O-N 2.74Å; V323-K326 WeakPolarHBondContact O-CB 3.11Å; V323-K326 PolarHBondContact O-N 2.86Å
324L92.4Very high92.7Very high40 Ų4056.2 Ų56.221%0.20930%0.297CS..Hα-helixtrans-62.3-39.6-175.9-66.1173000112.6L197 I315 F316 F319 S320 Q321 K326 A327L197-L324 HydrophobicContact CD2-CB 3.92Å; I315-L324 HydrophobicContact CG2-CD1 3.69Å; I315-L324 HydrophobicContact CG2-CD2 3.75Å; I315-L324 HydrophobicContact CG2-CG 4.38Å; F316-L324 HydrophobicContact CD1-CD1 4.47Å; F316-L324 HydrophobicContact CD2-CD1 4.2Å; F316-L324 HydrophobicContact CE1-CD1 4.11Å; F316-L324 HydrophobicContact CE2-CD1 3.78Å; F316-L324 HydrophobicContact CZ-CD1 3.73Å; F319-L324 HydrophobicContact CB-CD1 4.29Å; F319-L324 HydrophobicContact CB-CD2 3.8Å; F319-L324 HydrophobicContact CB-CG 3.89Å; F319-L324 HydrophobicContact CD2-CD2 4.4Å; F319-L324 HydrophobicContact CG-CD2 4.27Å; S320-L324 WeakPolarHBondContact O-CG 3.25Å; S320-L324 PolarHBondContact O-N 2.7Å; S320-L324 VanDerWaalsContact O-N 3.12Å; Q321-L324 PolarHBondContact O-N 3.47Å; L324-K326 PolarHBondContact O-N 3.49Å; L324-A327 WeakPolarHBondContact O-CB 3.35Å; L324-A327 PolarHBondContact O-N 3Å
325I89.1Confident92.9Very high29 Ų2954.5 Ų54.515%0.14929%0.288CS..G310 helixtrans-64.8-22.9-178.2-162.858.6000113.1Y196 Q321 D322 V323 A327 V328Y196-I325 WeakPolarHBondContact OH-CD1 3.29Å; Q321-I325 WeakPolarHBondContact O-CB 3.49Å; Q321-I325 WeakPolarHBondContact O-CG2 3.12Å; Q321-I325 PolarHBondContact O-N 3.25Å; D322-I325 WeakPolarHBondContact O-CG2 3.39Å; V323-I325 VanDerWaalsContact C-N 3.34Å; V323-I325 PolarHBondContact O-N 2.74Å; I325-A327 PolarHBondContact O-N 2.79Å; I325-V328 HydrophobicContact CD1-CB 4.19Å; I325-V328 HydrophobicContact CD1-CG2 3.9Å; I325-V328 PolarHBondContact O-N 2.72Å
326K89.5Confident93.1Very high176 Ų17652.6 Ų52.677%0.76528%0.279SS*.G310 helixtrans-69.5-22.6176-65.1174.7-177.3177.60112.5D322 V323 L324D322-K326 WeakPolarHBondContact O-CE 3.39Å; V323-K326 WeakPolarHBondContact O-CB 3.11Å; V323-K326 PolarHBondContact O-N 2.86Å; L324-K326 PolarHBondContact O-N 3.49Å
327A87.4Confident93.3Very high85 Ų8552.1 Ų52.170%0.70228%0.276SS*.G310 helixtrans-88.5-8.9177.300000113.1L324 I325 P329L324-A327 WeakPolarHBondContact O-CB 3.35Å; L324-A327 PolarHBondContact O-N 3Å; I325-A327 PolarHBondContact O-N 2.79Å; A327-P329 WeakPolarHBondContact O-CD 3.33Å
328V88Confident93.2Very high59 Ų5953.7 Ų53.736%0.35828%0.284SS..SBendtrans-74.9123.3178.2178.90000109.2I325 R330I325-V328 HydrophobicContact CD1-CB 4.19Å; I325-V328 HydrophobicContact CD1-CG2 3.9Å; I325-V328 PolarHBondContact O-N 2.72Å; V328-R330 PolarHBondContact O-N 2.76Å
329P90.3Very high92.8Very high96 Ų9655.5 Ų55.562%0.62330%0.295SS*.  trans-57.7138.9176.6-24.734.5000111.6A327 Y331A327-P329 WeakPolarHBondContact O-CD 3.33Å; P329-Y331 PolarHBondContact O-N 3.15Å
330R91.4Very high91.9Very high142 Ų14253.4 Ų53.454%0.53630%0.303SS..  trans-82.346.5177.8-58.7-179.1-178.6-178.8-7111.7V328 N351 G352 Y357V328-R330 PolarHBondContact O-N 2.76Å; R330-N351 CarbonylContact O-C 3.59Å; R330-N351 VanDerWaalsContact O-C 3.29Å; R330-G352 WeakPolarHBondContact O-CA 3.28Å; R330-G352 PolarHBondContact O-N 3.47Å; R330-Y357 WeakPolarHBondContact CD-OH 3.41Å; R330-Y357 HydrophobicContact CG-CE1 4.06Å; R330-Y357 PolarHBondContact NE-OH 2.83Å
331Y95.7Very high91.5Very high25 Ų2551.3 Ų51.310%0.09829%0.291CS..  trans-69.8143.7177.4-156.8-69.4000109.2A291 V293 P329 L333 H348 P350A291-Y331 CarbonylContact C-O 3.27Å; V293-Y331 HydrophobicContact CB-CD1 4.36Å; V293-Y331 HydrophobicContact CB-CG 4.34Å; V293-Y331 HydrophobicContact CG1-CD1 3.39Å; V293-Y331 HydrophobicContact CG1-CD2 4.44Å; V293-Y331 HydrophobicContact CG1-CE1 3.74Å; V293-Y331 HydrophobicContact CG1-CG 3.82Å; V293-Y331 HydrophobicContact CG2-CD1 4.02Å; V293-Y331 HydrophobicContact CG2-CD2 3.53Å; V293-Y331 HydrophobicContact CG2-CE1 4.49Å; V293-Y331 HydrophobicContact CG2-CE2 3.98Å; V293-Y331 HydrophobicContact CG2-CG 3.55Å; P329-Y331 PolarHBondContact O-N 3.15Å; Y331-L333 HydrophobicContact CD1-CB 4.3Å; Y331-L333 HydrophobicContact CE1-CB 4.11Å; Y331-H348 HydrophobicContact CE1-CB 4.16Å; Y331-H348 AromaticContact CE1-ND1 3.52Å; Y331-H348 AromaticContact CZ-ND1 3.56Å; Y331-H348 PolarHBondContact OH-ND1 2.77Å; Y331-P350 HydrophobicContact CD2-CB 4Å; Y331-P350 WeakPolarHBondContact CD2-O 3.48Å; Y331-P350 VanDerWaalsContact CE2-CA 3.49Å; Y331-P350 HydrophobicContact CE2-CB 3.56Å; Y331-P350 HydrophobicContact CE2-CG 4.02Å
332S97.6Very high91.4Very high0 Ų054.6 Ų54.60%031%0.312CS..EExtended strand (participates in β ladder)trans-131.6133.3166.9-71.80000111H348 D349 A355 Y357S332-H348 CarbonylContact O-C 3.54Å; S332-H348 WeakPolarHBondContact O-CA 3.46Å; S332-D349 PolarHBondContact N-O 3.42Å; S332-D349 PolarHBondContact O-N 2.91Å; S332-A355 WeakPolarHBondContact CB-O 3.35Å; S332-A355 PolarHBondContact OG-O 3.3Å; S332-Y357 PolarHBondContact OG-N 2.87Å
333L98.3Very high91.6Very high0 Ų051.9 Ų51.90%030%0.299CS..EExtended strand (participates in β ladder)trans-134.3127.1-178.8168.855.9000108P272 S289 M290 V293 Y331 F347 H348P272-L333 HydrophobicContact CG-CD2 4.06Å; S289-L333 CarbonylContact C-O 3.45Å; M290-L333 HydrophobicContact CB-CB 4.14Å; M290-L333 HydrophobicContact CB-CG 4.45Å; M290-L333 HydrophobicContact CE-CD2 3.49Å; M290-L333 VanDerWaalsContact CE-CD2 3.49Å; M290-L333 HydrophobicContact CE-CG 3.67Å; M290-L333 PolarHBondContact N-O 3.39Å; M290-L333 PolarHBondContact O-N 3.31Å; M290-L333 HydrophobicContact SD-CD2 3.91Å; M290-L333 HydrophobicContact SD-CG 4.46Å; V293-L333 HydrophobicContact CG1-CB 4.11Å; V293-L333 HydrophobicContact CG1-CD2 4.08Å; Y331-L333 HydrophobicContact CD1-CB 4.3Å; Y331-L333 HydrophobicContact CE1-CB 4.11Å; L333-F347 WeakPolarHBondContact CA-O 3.45Å; L333-H348 WeakPolarHBondContact CD1-CE1 3.38Å; L333-H348 VanDerWaalsContact CD1-NE2 3.34Å; L333-H348 WeakPolarHBondContact CD1-NE2 2.84Å
334V98.6Very high91.8Very high0 Ų054.3 Ų54.30%030%0.299CS..EExtended strand (participates in β ladder)trans-120.3125.8169.4175.40000107.3L58 W287 V288 S346 F347 V358 A361 L368L58-V334 HydrophobicContact CD1-CG2 4.28Å; L58-V334 HydrophobicContact CD2-CG2 4.39Å; W287-V334 HydrophobicContact CE3-CG1 3.77Å; W287-V334 HydrophobicContact CZ3-CG1 4.25Å; V288-V334 WeakPolarHBondContact O-CA 2.96Å; V334-S346 CarbonylContact O-C 3.5Å; V334-S346 VanDerWaalsContact O-CA 3.32Å; V334-S346 WeakPolarHBondContact O-CA 3.45Å; V334-F347 PolarHBondContact N-O 3.16Å; V334-F347 PolarHBondContact O-N 2.9Å; V334-V358 HydrophobicContact CG2-CG2 4.31Å; V334-A361 HydrophobicContact CG1-CB 3.43Å; V334-A361 VanDerWaalsContact CG1-CB 3.43Å; V334-A361 HydrophobicContact CG2-CB 4.25Å; V334-L368 HydrophobicContact CG1-CD1 4.38Å
335A98.3Very high92Very high0 Ų055.8 Ų55.80%030%0.302CS..EExtended strand (participates in β ladder)trans-124.7141-177.600000111.6W52 W287 V288 M290 I337 R345W52-A335 HydrophobicContact CH2-CB 4.1Å; W52-A335 HydrophobicContact CZ3-CB 3.55Å; W287-A335 CarbonylContact C-O 3.59Å; W287-A335 WeakPolarHBondContact CA-O 3.46Å; V288-A335 PolarHBondContact N-O 2.76Å; V288-A335 PolarHBondContact O-N 2.68Å; M290-A335 HydrophobicContact CE-CB 4.09Å; A335-I337 HydrophobicContact CB-CD1 4.47Å; A335-I337 HydrophobicContact CB-CG1 4.2Å; A335-R345 WeakPolarHBondContact CA-O 3.28Å
336E98.1Very high92.4Very high0 Ų054.8 Ų54.80%030%0.298CS..EExtended strand (participates in β ladder)trans-93117.9168.5-162.1-177.6162.400108.8S281 S283 Y286 W287 R344 R345S281-E336 VanDerWaalsContact OG-CD 3.23Å; S281-E336 PolarHBondContact OG-OE1 3.28Å; S283-E336 PolarHBondContact OG-OE1 2.91Å; Y286-E336 CarbonylContact O-C 3.58Å; Y286-E336 WeakPolarHBondContact O-CA 3.34Å; W287-E336 HydrophobicContact CD2-CB 4.27Å; W287-E336 HydrophobicContact CD2-CG 4.3Å; W287-E336 HydrophobicContact CE3-CB 3.78Å; W287-E336 HydrophobicContact CE3-CG 4.31Å; W287-E336 HydrophobicContact CH2-CB 3.71Å; W287-E336 HydrophobicContact CH2-CG 4.14Å; W287-E336 HydrophobicContact CZ2-CB 4.19Å; W287-E336 HydrophobicContact CZ2-CG 4.1Å; W287-E336 HydrophobicContact CZ3-CB 3.49Å; W287-E336 VanDerWaalsContact CZ3-CB 3.49Å; W287-E336 HydrophobicContact CZ3-CG 4.25Å; E336-R344 HydrophobicContact CB-CB 4.35Å; E336-R344 PolarHBondContact O-N 3.33Å; E336-R344 IonicContact OE1-NH1 3.77Å; E336-R345 HydrophobicContact CB-CG 3.97Å; E336-R345 PolarHBondContact N-O 3.3Å; E336-R345 IonicContact OE2-CZ 2.78Å; E336-R345 VanDerWaalsContact OE2-CZ 3.26Å; E336-R345 IonicContact OE2-NE 3.82Å; E336-R345 PolarHBondContact OE2-NE 2.82Å; E336-R345 IonicContact OE2-NH2 3.69Å; E336-R345 PolarHBondContact OE2-NH2 2.9Å
337I97.1Very high92.8Very high1 Ų146.8 Ų46.81%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-121.7128-174.5-52.5178.5000109.7W52 V268 L271 G285 Y286 V288 A335 V342W52-I337 HydrophobicContact CH2-CD1 4.2Å; W52-I337 HydrophobicContact CH2-CG1 4.48Å; V268-I337 HydrophobicContact CG2-CG2 3.9Å; L271-I337 HydrophobicContact CD2-CD1 3.8Å; G285-I337 CarbonylContact C-O 3.5Å; G285-I337 WeakPolarHBondContact CA-O 3.47Å; Y286-I337 PolarHBondContact N-O 2.78Å; Y286-I337 PolarHBondContact O-N 2.54Å; V288-I337 HydrophobicContact CB-CD1 4.13Å; V288-I337 HydrophobicContact CG2-CD1 3.91Å; V288-I337 HydrophobicContact CG2-CG1 4.43Å; A335-I337 HydrophobicContact CB-CD1 4.47Å; A335-I337 HydrophobicContact CB-CG1 4.2Å; I337-V342 WeakPolarHBondContact CA-O 3.37Å
338Q93.1Very high93.3Very high70 Ų7042.7 Ų42.733%0.32723%0.23SC..  trans-92.2175.1176.5-67.6-171.4-18.900112.1G341 V342Q338-G341 PolarHBondContact O-N 2.65Å; Q338-V342 PolarHBondContact N-O 3.13Å
339D82.2Confident93.8Very high108 Ų10839.9 Ų39.958%0.57821%0.213SC*.G310 helixtrans-55.6145.6171.9-163.616.1000111.4R253 F267 G341R253-D339 IonicContact CZ-OD1 2.71Å; R253-D339 IonicContact NH2-OD1 3.08Å; R253-D339 PolarHBondContact NH2-OD1 3.37Å; R253-D339 IonicContact NH2-OD2 3.91Å; F267-D339 HydrophobicContact CE2-CB 4.24Å; F267-D339 WeakPolarHBondContact CE2-OD1 3.48Å; D339-G341 PolarHBondContact O-N 2.67Å
340G75.2Confident94.1Very high61 Ų6136.9 Ų36.963%0.62919%0.193SC*.G310 helixtrans73.67.3-169.500000115
341G82.3Confident94.3Very high18 Ų1834.9 Ų34.919%0.18619%0.193CC..G310 helixtrans75.921174.300000115.2Q338 D339 C343Q338-G341 PolarHBondContact O-N 2.65Å; D339-G341 PolarHBondContact O-N 2.67Å; G341-C343 PolarHBondContact O-N 3.03Å
342V91.9Very high94.3Very high86 Ų8634.1 Ų34.152%0.52119%0.192SC..  trans-75118.1177.3-177.90000109.7I337 Q338 R344I337-V342 WeakPolarHBondContact CA-O 3.37Å; Q338-V342 PolarHBondContact N-O 3.13Å; V342-R344 PolarHBondContact O-N 3.43Å
343C95.7Very high94.2Very high19 Ų1939 Ų3913%0.12822%0.218CC..EExtended strand (participates in β ladder)trans-72.3123170.5-1790000109.6C51 W52 G341C51-C343 HydrophobicContact CB-CB 3.62Å; C51-C343 WeakPolarHBondContact CB-SG 3.27Å; C51-C343 WeakPolarHBondContact SG-CB 3.41Å; C51-C343 PolarHBondContact SG-O 3.47Å; C51-C343 CovalentContact SG-SG 2.03Å; C51-C343 PolarHBondContact SG-SG 2.76Å; W52-C343 HydrophobicContact CD2-CB 4.29Å; W52-C343 HydrophobicContact CH2-CB 3.82Å; W52-C343 HydrophobicContact CZ2-CB 3.44Å; W52-C343 VanDerWaalsContact CZ2-CB 3.44Å; W52-C343 HydrophobicContact CZ3-CB 4.37Å; G341-C343 PolarHBondContact O-N 3.03Å
344R95.5Very high94.1Very high125 Ų12540.4 Ų40.447%0.47223%0.227SC..EExtended strand (participates in β ladder)trans-90.1-45.9176.7-178.1-178-175.2159.23112.1S283 E336 V342S283-R344 PolarHBondContact O-NH1 3.43Å; S283-R344 PolarHBondContact OG-NH1 3.26Å; S283-R344 VanDerWaalsContact OG-NH1 3.13Å; E336-R344 HydrophobicContact CB-CB 4.35Å; E336-R344 PolarHBondContact O-N 3.33Å; E336-R344 IonicContact OE1-NH1 3.77Å; V342-R344 PolarHBondContact O-N 3.43Å
345R96.3Very high94Very high71 Ų7140.5 Ų40.527%0.26823%0.227SC..EExtended strand (participates in β ladder)trans-159.4159.3176.156.2-176.9171.2173.3-2.7110.5C51 W287 A335 E336 F347C51-R345 WeakPolarHBondContact SG-CA 3.21Å; C51-R345 PolarHBondContact SG-N 2.88Å; W287-R345 HydrophobicContact CH2-CG 4.35Å; A335-R345 WeakPolarHBondContact CA-O 3.28Å; E336-R345 HydrophobicContact CB-CG 3.97Å; E336-R345 PolarHBondContact N-O 3.3Å; E336-R345 IonicContact OE2-CZ 2.78Å; E336-R345 VanDerWaalsContact OE2-CZ 3.26Å; E336-R345 IonicContact OE2-NE 3.82Å; E336-R345 PolarHBondContact OE2-NE 2.82Å; E336-R345 IonicContact OE2-NH2 3.69Å; E336-R345 PolarHBondContact OE2-NH2 2.9Å; R345-F347 HydrophobicContact CG-CZ 4.27Å
346S97.9Very high93.9Very high9 Ų940.8 Ų40.86%0.06323%0.23CC..EExtended strand (participates in β ladder)trans-137.9150.817668.60000111.8C51 N55 V334 H348C51-S346 VanDerWaalsContact O-CB 3.25Å; C51-S346 WeakPolarHBondContact O-CB 3.32Å; C51-S346 PolarHBondContact O-OG 3.27Å; N55-S346 PolarHBondContact ND2-O 3.41Å; V334-S346 CarbonylContact O-C 3.5Å; V334-S346 VanDerWaalsContact O-CA 3.32Å; V334-S346 WeakPolarHBondContact O-CA 3.45Å; S346-H348 VanDerWaalsContact CB-NE2 3.3Å; S346-H348 WeakPolarHBondContact CB-NE2 3.47Å; S346-H348 PolarHBondContact OG-CD2 2.99Å; S346-H348 VanDerWaalsContact OG-CD2 3.24Å; S346-H348 PolarHBondContact OG-NE2 3.18Å
347F98.3Very high93.8Very high7 Ų742.9 Ų42.93%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-124.1131.3175.9-49.6-47.4000108.9R57 L58 W287 L333 V334 R345 L368 L381 L383R57-F347 HydrophobicContact CB-CB 4.07Å; R57-F347 HydrophobicContact CB-CD1 3.71Å; R57-F347 HydrophobicContact CB-CG 4.23Å; R57-F347 HydrophobicContact CG-CD1 4.12Å; L58-F347 WeakPolarHBondContact CD1-O 3.47Å; L58-F347 HydrophobicContact CD2-CB 3.58Å; L58-F347 HydrophobicContact CG-CB 3.65Å; W287-F347 HydrophobicContact CH2-CD2 4.41Å; W287-F347 AromaticContact CH2-CE2 3.49Å; W287-F347 HydrophobicContact CH2-CE2 3.49Å; W287-F347 VanDerWaalsContact CH2-CE2 3.49Å; W287-F347 HydrophobicContact CH2-CZ 4.06Å; W287-F347 HydrophobicContact CZ3-CD2 4.1Å; W287-F347 AromaticContact CZ3-CE2 3.61Å; W287-F347 HydrophobicContact CZ3-CE2 3.61Å; W287-F347 HydrophobicContact CZ3-CZ 4.42Å; L333-F347 WeakPolarHBondContact CA-O 3.45Å; V334-F347 PolarHBondContact N-O 3.16Å; V334-F347 PolarHBondContact O-N 2.9Å; R345-F347 HydrophobicContact CG-CZ 4.27Å; F347-L368 HydrophobicContact CD2-CD1 3.84Å; F347-L368 HydrophobicContact CE2-CD1 3.6Å; F347-L381 HydrophobicContact CB-CD2 4.34Å; F347-L381 HydrophobicContact CD1-CD2 4.41Å; F347-L381 HydrophobicContact CD2-CD2 3.7Å; F347-L381 HydrophobicContact CE2-CD2 4.03Å; F347-L381 HydrophobicContact CG-CD2 3.89Å; F347-L383 HydrophobicContact CE2-CD2 3.66Å; F347-L383 HydrophobicContact CZ-CD2 3.85Å
348H98.5Very high93.8Very high0 Ų042.9 Ų42.90%024%0.238CC..EExtended strand (participates in β ladder)trans-125146.9-172.3-60.8-122.4000111.5W52 E53 N55 L56 L58 Y331 S332 L333 S346W52-H348 PolarHBondContact O-CE1 2.83Å; E53-H348 PolarHBondContact O-NE2 2.81Å; N55-H348 PolarHBondContact ND2-CD2 2.96Å; N55-H348 VanDerWaalsContact O-CB 3.27Å; N55-H348 WeakPolarHBondContact O-CB 3.43Å; N55-H348 PolarHBondContact OD1-N 2.88Å; N55-H348 VanDerWaalsContact OD1-N 3.09Å; L56-H348 CarbonylContact C-O 3.55Å; L58-H348 WeakPolarHBondContact CB-O 3.26Å; L58-H348 PolarHBondContact N-O 3.08Å; Y331-H348 HydrophobicContact CE1-CB 4.16Å; Y331-H348 AromaticContact CE1-ND1 3.52Å; Y331-H348 AromaticContact CZ-ND1 3.56Å; Y331-H348 PolarHBondContact OH-ND1 2.77Å; S332-H348 CarbonylContact O-C 3.54Å; S332-H348 WeakPolarHBondContact O-CA 3.46Å; L333-H348 WeakPolarHBondContact CD1-CE1 3.38Å; L333-H348 VanDerWaalsContact CD1-NE2 3.34Å; L333-H348 WeakPolarHBondContact CD1-NE2 2.84Å; S346-H348 VanDerWaalsContact CB-NE2 3.3Å; S346-H348 WeakPolarHBondContact CB-NE2 3.47Å; S346-H348 PolarHBondContact OG-CD2 2.99Å; S346-H348 VanDerWaalsContact OG-CD2 3.24Å; S346-H348 PolarHBondContact OG-NE2 3.18Å
349D98Very high94Very high0 Ų039.5 Ų39.50%022%0.223CC..EExtended strand (participates in β ladder)trans-131.788.9159.2-173.1-0.2000108L58 R59 S332 N351 G352 L353 V354 A355L58-D349 HydrophobicContact CB-CB 3.85Å; L58-D349 HydrophobicContact CD1-CB 4.36Å; R59-D349 HydrophobicContact CG-CB 4.44Å; R59-D349 IonicContact CZ-OD1 2.78Å; R59-D349 IonicContact NE-OD1 2.88Å; R59-D349 PolarHBondContact NE-OD1 3.24Å; R59-D349 IonicContact NH2-OD1 3.53Å; S332-D349 PolarHBondContact N-O 3.42Å; S332-D349 PolarHBondContact O-N 2.91Å; D349-N351 PolarHBondContact O-N 3.02Å; D349-G352 PolarHBondContact O-N 3.23Å; D349-G352 VanDerWaalsContact O-N 3.1Å; D349-G352 PolarHBondContact OD1-N 3.05Å; D349-G352 VanDerWaalsContact OD2-C 3.32Å; D349-G352 WeakPolarHBondContact OD2-CA 3.45Å; D349-L353 PolarHBondContact OD1-N 3.18Å; D349-L353 PolarHBondContact OD2-N 2.89Å; D349-V354 PolarHBondContact OD2-N 3.28Å; D349-A355 PolarHBondContact OD2-N 2.83Å
350P96.3Very high94.8Very high32 Ų3234.4 Ų34.421%0.20820%0.195CC..THydrogen-bonded Turntrans-59.8-20-170.3-2936.4000115.7N55 L56 Y331N55-P350 WeakPolarHBondContact O-CD 3.4Å; L56-P350 HydrophobicContact CD2-CG 4.39Å; Y331-P350 HydrophobicContact CD2-CB 4Å; Y331-P350 WeakPolarHBondContact CD2-O 3.48Å; Y331-P350 VanDerWaalsContact CE2-CA 3.49Å; Y331-P350 HydrophobicContact CE2-CB 3.56Å; Y331-P350 HydrophobicContact CE2-CG 4.02Å
351N95Very high95.9Very high100 Ų10031.5 Ų31.554%0.53517%0.166SC..THydrogen-bonded Turntrans-117.60.3-177.7-54.3111.7000112.7R59 R330 D349 L353R59-N351 PolarHBondContact NH2-OD1 2.8Å; R330-N351 CarbonylContact O-C 3.59Å; R330-N351 VanDerWaalsContact O-C 3.29Å; D349-N351 PolarHBondContact O-N 3.02Å; N351-L353 VanDerWaalsContact C-N 3.29Å; N351-L353 HydrophobicContact CB-CD2 4.22Å; N351-L353 HydrophobicContact CB-CG 3.97Å; N351-L353 PolarHBondContact O-N 2.94Å
352G95.4Very high96.7Very high9 Ų931.8 Ų31.89%0.09316%0.162CC..  trans57.143.4-178.800000112R330 D349R330-G352 WeakPolarHBondContact O-CA 3.28Å; R330-G352 PolarHBondContact O-N 3.47Å; D349-G352 PolarHBondContact O-N 3.23Å; D349-G352 VanDerWaalsContact O-N 3.1Å; D349-G352 PolarHBondContact OD1-N 3.05Å; D349-G352 VanDerWaalsContact OD2-C 3.32Å; D349-G352 WeakPolarHBondContact OD2-CA 3.45Å
353L96.2Very high97Very high102 Ų10229 Ų2953%0.53414%0.143SC..SBendtrans-75.8-34.8179.8-64-178.9000111.9R63 D349 N351R63-L353 PolarHBondContact NH2-O 2.87Å; D349-L353 PolarHBondContact OD1-N 3.18Å; D349-L353 PolarHBondContact OD2-N 2.89Å; N351-L353 VanDerWaalsContact C-N 3.29Å; N351-L353 HydrophobicContact CB-CD2 4.22Å; N351-L353 HydrophobicContact CB-CG 3.97Å; N351-L353 PolarHBondContact O-N 2.94Å
354V97.1Very high97Very high30 Ų3029.2 Ų29.218%0.18214%0.142CC..SBendtrans-115.5-50.9-174.8176.30000111.1R59 A61 R63 D349 Y377R59-V354 HydrophobicContact CB-CB 4.48Å; R59-V354 HydrophobicContact CB-CG2 4Å; R59-V354 HydrophobicContact CG-CG2 4.24Å; A61-V354 HydrophobicContact CB-CG1 4.24Å; A61-V354 VanDerWaalsContact O-CG1 3.31Å; A61-V354 WeakPolarHBondContact O-CG1 3.29Å; R63-V354 PolarHBondContact NE-O 3.47Å; R63-V354 VanDerWaalsContact NH2-CA 3.34Å; R63-V354 PolarHBondContact NH2-O 2.65Å; D349-V354 PolarHBondContact OD2-N 3.28Å; V354-Y377 WeakPolarHBondContact O-CE2 3.33Å; V354-Y377 PolarHBondContact O-OH 2.65Å
355A96.3Very high97Very high2 Ų229.6 Ų29.62%0.01715%0.149CC..SBendtrans-119.189.9179.400000108.7L58 S332 D349 V358 A379L58-A355 HydrophobicContact CB-CB 4.25Å; L58-A355 HydrophobicContact CD1-CB 4.48Å; S332-A355 WeakPolarHBondContact CB-O 3.35Å; S332-A355 PolarHBondContact OG-O 3.3Å; D349-A355 PolarHBondContact OD2-N 2.83Å; A355-V358 HydrophobicContact CB-CG1 4.13Å; A355-A379 HydrophobicContact CB-CB 4.13Å
356A95.4Very high97Very high7 Ų727 Ų276%0.05814%0.144CC..  trans-97151.3178.900000111.5V358 S372 S375A356-V358 VanDerWaalsContact C-N 3.3Å; A356-V358 PolarHBondContact O-N 3.38Å; A356-S372 PolarHBondContact O-OG 2.98Å; A356-S372 VanDerWaalsContact O-OG 3.1Å; A356-S375 PolarHBondContact O-OG 3.49Å
357Y95.6Very high97Very high43 Ų4329.5 Ų29.517%0.16915%0.154CC..SBendtrans55.544.4172.2-50.6-67.5000112.5R330 S332 S359 S372 F373 R374R330-Y357 WeakPolarHBondContact CD-OH 3.41Å; R330-Y357 HydrophobicContact CG-CE1 4.06Å; R330-Y357 PolarHBondContact NE-OH 2.83Å; S332-Y357 PolarHBondContact OG-N 2.87Å; Y357-S359 PolarHBondContact O-N 3.16Å; Y357-S372 WeakPolarHBondContact CB-OG 3.26Å; Y357-S372 VanDerWaalsContact O-CA 3.26Å; Y357-S372 WeakPolarHBondContact O-CA 3.39Å; Y357-S372 WeakPolarHBondContact O-CB 3.13Å; Y357-S372 PolarHBondContact O-OG 2.94Å; Y357-F373 HydrophobicContact CD1-CE2 4.36Å; Y357-F373 AromaticContact CD1-CZ 3.92Å; Y357-F373 HydrophobicContact CD1-CZ 3.92Å; Y357-F373 HydrophobicContact CG-CZ 4.29Å; Y357-F373 WeakPolarHBondContact O-CD1 3.45Å; Y357-F373 PolarHBondContact O-N 3.42Å; Y357-R374 HydrophobicContact CD2-CB 3.76Å; Y357-R374 HydrophobicContact CE2-CB 4.37Å; Y357-R374 HydrophobicContact CG-CB 4.01Å
358V98Very high97Very high1 Ų129.2 Ų29.21%0.00615%0.152CC..EExtended strand (participates in β ladder)trans-63.8126.7-176.5-620000111.1A291 V334 A355 A356 I370 G371A291-V358 WeakPolarHBondContact CB-O 3.4Å; V334-V358 HydrophobicContact CG2-CG2 4.31Å; A355-V358 HydrophobicContact CB-CG1 4.13Å; A356-V358 VanDerWaalsContact C-N 3.3Å; A356-V358 PolarHBondContact O-N 3.38Å; V358-I370 HydrophobicContact CB-CG2 3.9Å; V358-I370 HydrophobicContact CG1-CG2 3.44Å; V358-I370 VanDerWaalsContact CG1-CG2 3.44Å; V358-G371 WeakPolarHBondContact CA-O 3.29Å
359S97.8Very high97Very high0 Ų030.5 Ų30.50%016%0.158CC..EExtended strand (participates in β ladder)trans-111.5-25.7179.947.40000112.7E73 D276 N277 S289 Y357 G371 S372 F373E73-S359 WeakPolarHBondContact CA-OG 3.49Å; E73-S359 WeakPolarHBondContact CG-OG 3.24Å; E73-S359 PolarHBondContact O-OG 2.92Å; D276-S359 WeakPolarHBondContact CB-O 3.29Å; N277-S359 WeakPolarHBondContact CB-O 3.3Å; N277-S359 PolarHBondContact N-O 2.94Å; S289-S359 PolarHBondContact OG-O 3.38Å; Y357-S359 PolarHBondContact O-N 3.16Å; S359-G371 PolarHBondContact N-O 3.47Å; S359-G371 PolarHBondContact OG-O 3.47Å; S359-S372 VanDerWaalsContact OG-CA 3.23Å; S359-S372 WeakPolarHBondContact OG-CA 2.98Å; S359-S372 PolarHBondContact OG-N 2.8Å; S359-S372 VanDerWaalsContact OG-N 3.15Å; S359-F373 PolarHBondContact OG-N 3.23Å
360E98.3Very high97Very high0 Ų030.7 Ų30.70%016%0.159CC..EExtended strand (participates in β ladder)trans-152.2153.5-177.2-169.5-169.481.800110.5E73 S74 I75 N277 R279 S289 I370 G371E73-E360 WeakPolarHBondContact O-CB 3.27Å; S74-E360 VanDerWaalsContact CA-OE2 3.23Å; S74-E360 WeakPolarHBondContact CA-OE2 2.99Å; S74-E360 WeakPolarHBondContact CB-OE2 3.21Å; S74-E360 PolarHBondContact OG-OE2 3.39Å; I75-E360 WeakPolarHBondContact CA-OE1 3.02Å; I75-E360 WeakPolarHBondContact CB-OE1 3.29Å; I75-E360 PolarHBondContact N-OE1 2.73Å; I75-E360 PolarHBondContact N-OE2 3.02Å; N277-E360 HydrophobicContact CB-CB 3.86Å; N277-E360 HydrophobicContact CB-CG 3.83Å; R279-E360 HydrophobicContact CG-CG 3.61Å; R279-E360 IonicContact CZ-OE2 3.95Å; R279-E360 VanDerWaalsContact NE-CD 3.29Å; R279-E360 IonicContact NE-OE2 2.92Å; R279-E360 PolarHBondContact NE-OE2 3.32Å; R279-E360 IonicContact NH2-OE2 3.51Å; R279-E360 PolarHBondContact NH2-OE2 3.29Å; S289-E360 WeakPolarHBondContact OG-CA 3.34Å; S289-E360 PolarHBondContact OG-N 3.45Å; E360-I370 CarbonylContact O-C 3.58Å; E360-I370 VanDerWaalsContact O-CA 3.3Å; E360-I370 WeakPolarHBondContact O-CA 3.44Å; E360-G371 PolarHBondContact O-N 3.12Å
361A98.4Very high97.1Very high1 Ų129.2 Ų29.21%0.00815%0.149CC..EExtended strand (participates in β ladder)trans-129.7107.6163.700000110R279 W287 V334 L368R279-A361 WeakPolarHBondContact CB-O 3.36Å; W287-A361 HydrophobicContact CB-CB 4.14Å; V334-A361 HydrophobicContact CG1-CB 3.43Å; V334-A361 VanDerWaalsContact CG1-CB 3.43Å; V334-A361 HydrophobicContact CG2-CB 4.25Å; A361-L368 HydrophobicContact CB-CD2 4.32Å
362H98.4Very high97.2Very high23 Ų2324.6 Ų24.611%0.10612%0.124CC..EExtended strand (participates in β ladder)trans-98.2121.6179.9179.567.1000110.5I75 N77 Y369I75-H362 HydrophobicContact CB-CB 4.25Å; N77-H362 PolarHBondContact OD1-CE1 3.22Å; N77-H362 PolarHBondContact OD1-NE2 2.73Å; H362-Y369 PolarHBondContact N-O 2.88Å; H362-Y369 PolarHBondContact O-N 2.96Å
363E98Very high97.2Very high27 Ų2725.4 Ų25.413%0.12613%0.126CC..EExtended strand (participates in β ladder)trans-91.5127.5-178.3-167.3179.9162.900111.9S282 W287 K367 L368 L383S282-E363 VanDerWaalsContact CB-OE1 3.26Å; S282-E363 WeakPolarHBondContact CB-OE1 3.5Å; S282-E363 PolarHBondContact N-OE2 2.87Å; S282-E363 VanDerWaalsContact OG-CD 3.32Å; S282-E363 PolarHBondContact OG-OE1 3.33Å; W287-E363 PolarHBondContact NE1-OE2 3.49Å; E363-K367 WeakPolarHBondContact CA-O 3.4Å; E363-L368 HydrophobicContact CB-CD2 3.78Å; E363-L368 HydrophobicContact CG-CD2 4.11Å; E363-L383 HydrophobicContact CG-CD1 3.83Å; E363-L383 WeakPolarHBondContact OE1-CD1 3.34Å
364H97.1Very high97.1Very high24 Ų2425.4 Ų25.411%0.11112%0.118CC..EExtended strand (participates in β ladder)trans-151.3130.2173-175.262.4000111.7N77 G79 F82 G366 K367 Y369N77-H364 PolarHBondContact ND2-CE1 2.85Å; N77-H364 PolarHBondContact ND2-ND1 3.44Å; N77-H364 VanDerWaalsContact ND2-ND1 3.13Å; N77-H364 PolarHBondContact ND2-NE2 3.43Å; G79-H364 PolarHBondContact O-NE2 2.86Å; F82-H364 HydrophobicContact CE1-CB 4.46Å; F82-H364 HydrophobicContact CZ-CB 4.32Å; F82-H364 AromaticContact CZ-CD2 3.68Å; H364-G366 VanDerWaalsContact C-N 3.33Å; H364-G366 PolarHBondContact O-N 3.28Å; H364-K367 PolarHBondContact N-O 2.9Å; H364-K367 PolarHBondContact O-N 3.45Å; H364-Y369 HydrophobicContact CB-CD2 4.22Å; H364-Y369 HydrophobicContact CB-CE2 3.87Å
365H94.9Very high97.1Very high134 Ų13424.2 Ų24.262%0.6211%0.112SC*.THydrogen-bonded Turntrans49.146.9179-66.5172.4000114.2D80 K367D80-H365 IonicContact OD1-CE1 3.76Å; D80-H365 IonicContact OD1-ND1 3.89Å; H365-K367 VanDerWaalsContact C-N 3.27Å; H365-K367 PolarHBondContact O-N 2.9Å
366G95.4Very high97.1Very high15 Ų1526 Ų2616%0.15512%0.123CC..THydrogen-bonded Turntrans70.720.7178.400000114.1H364 L383H364-G366 VanDerWaalsContact C-N 3.33Å; H364-G366 PolarHBondContact O-N 3.28Å; G366-L383 VanDerWaalsContact O-CB 3.27Å; G366-L383 WeakPolarHBondContact O-CB 3.23Å; G366-L383 PolarHBondContact O-N 3.41Å
367K97.7Very high97.2Very high63 Ų6326.3 Ų26.327%0.27412%0.123SC..EExtended strand (participates in β ladder)trans-128.1146.7176-49.5-171.4178-170.50110.1R62 E363 H364 H365 Y369 V380 L381 D382R62-K367 VanDerWaalsContact NH2-NZ 3.14Å; E363-K367 WeakPolarHBondContact CA-O 3.4Å; H364-K367 PolarHBondContact N-O 2.9Å; H364-K367 PolarHBondContact O-N 3.45Å; H365-K367 VanDerWaalsContact C-N 3.27Å; H365-K367 PolarHBondContact O-N 2.9Å; K367-Y369 HydrophobicContact CB-CD2 4.49Å; K367-Y369 HydrophobicContact CB-CE2 3.87Å; K367-V380 HydrophobicContact CB-CG1 3.94Å; K367-V380 HydrophobicContact CD-CG1 4.07Å; K367-L381 CarbonylContact C-O 3.49Å; K367-L381 VanDerWaalsContact CA-O 3.3Å; K367-L381 WeakPolarHBondContact CA-O 3.33Å; K367-D382 WeakPolarHBondContact CD-OD1 3.3Å; K367-D382 WeakPolarHBondContact CE-OD1 3.48Å; K367-D382 WeakPolarHBondContact CG-OD1 3.41Å; K367-D382 IonicContact NZ-OD1 3.57Å
368L98.3Very high97.4Very high0 Ų024.5 Ų24.50%012%0.116CC..EExtended strand (participates in β ladder)trans-99.4119.6167-72.9179.1000110.2W287 V334 F347 A361 E363 I370 V380 L381 L383W287-L368 HydrophobicContact CD2-CD1 4.21Å; W287-L368 HydrophobicContact CD2-CD2 3.95Å; W287-L368 HydrophobicContact CE3-CD1 4.07Å; W287-L368 HydrophobicContact CG-CD2 4.13Å; W287-L368 HydrophobicContact CH2-CD1 3.84Å; W287-L368 HydrophobicContact CZ2-CD1 3.99Å; W287-L368 HydrophobicContact CZ2-CD2 4.09Å; W287-L368 HydrophobicContact CZ2-CG 4.4Å; W287-L368 HydrophobicContact CZ3-CD1 3.86Å; V334-L368 HydrophobicContact CG1-CD1 4.38Å; F347-L368 HydrophobicContact CD2-CD1 3.84Å; F347-L368 HydrophobicContact CE2-CD1 3.6Å; A361-L368 HydrophobicContact CB-CD2 4.32Å; E363-L368 HydrophobicContact CB-CD2 3.78Å; E363-L368 HydrophobicContact CG-CD2 4.11Å; L368-I370 HydrophobicContact CB-CG1 4.33Å; L368-V380 CarbonylContact O-C 3.29Å; L368-V380 VanDerWaalsContact O-CA 3.26Å; L368-V380 WeakPolarHBondContact O-CA 3.29Å; L368-L381 HydrophobicContact CB-CB 4.41Å; L368-L381 PolarHBondContact N-O 3.1Å; L368-L381 PolarHBondContact O-N 3.31Å; L368-L383 HydrophobicContact CD1-CD2 3.68Å; L368-L383 HydrophobicContact CD1-CG 4.46Å; L368-L383 HydrophobicContact CD2-CD1 4.3Å; L368-L383 HydrophobicContact CG-CD1 3.98Å; L368-L383 HydrophobicContact CG-CD2 3.73Å; L368-L383 HydrophobicContact CG-CG 3.96Å
369Y98.6Very high97.4Very high28 Ų2824.5 Ų24.511%0.1112%0.116CC..EExtended strand (participates in β ladder)trans-92.9115.4169.5-62.2-98.3000107.8L64 F82 H362 H364 K367 I378 V380L64-Y369 HydrophobicContact CD1-CE1 4.42Å; F82-Y369 HydrophobicContact CD1-CD1 4.43Å; F82-Y369 AromaticContact CE1-CD1 3.86Å; F82-Y369 HydrophobicContact CE1-CD1 3.86Å; F82-Y369 AromaticContact CE1-CD2 3.79Å; F82-Y369 HydrophobicContact CE1-CD2 3.79Å; F82-Y369 AromaticContact CE1-CE1 3.88Å; F82-Y369 HydrophobicContact CE1-CE1 3.88Å; F82-Y369 AromaticContact CE1-CE2 3.82Å; F82-Y369 HydrophobicContact CE1-CE2 3.82Å; F82-Y369 AromaticContact CE1-CG 3.82Å; F82-Y369 HydrophobicContact CE1-CG 3.82Å; F82-Y369 AromaticContact CE1-CZ 3.86Å; F82-Y369 HydrophobicContact CE2-CE1 4.14Å; F82-Y369 HydrophobicContact CZ-CD1 4.08Å; F82-Y369 HydrophobicContact CZ-CD2 4.04Å; F82-Y369 AromaticContact CZ-CE1 3.6Å; F82-Y369 HydrophobicContact CZ-CE1 3.6Å; F82-Y369 AromaticContact CZ-CE2 3.57Å; F82-Y369 HydrophobicContact CZ-CE2 3.57Å; F82-Y369 HydrophobicContact CZ-CG 4.29Å; F82-Y369 AromaticContact CZ-CZ 3.32Å; H362-Y369 PolarHBondContact N-O 2.88Å; H362-Y369 PolarHBondContact O-N 2.96Å; H364-Y369 HydrophobicContact CB-CD2 4.22Å; H364-Y369 HydrophobicContact CB-CE2 3.87Å; K367-Y369 HydrophobicContact CB-CD2 4.49Å; K367-Y369 HydrophobicContact CB-CE2 3.87Å; Y369-I378 HydrophobicContact CD1-CG2 4.33Å; Y369-V380 HydrophobicContact CD1-CG1 4.25Å; Y369-V380 HydrophobicContact CD1-CG2 3.47Å; Y369-V380 VanDerWaalsContact CD1-CG2 3.47Å; Y369-V380 HydrophobicContact CE1-CG1 4.07Å; Y369-V380 HydrophobicContact CE1-CG2 3.74Å; Y369-V380 HydrophobicContact CG-CG2 4.26Å
370I98.7Very high97.4Very high4 Ų424.6 Ų24.62%0.02112%0.116CC..EExtended strand (participates in β ladder)trans-105.8114.4-169.7-58.1172.4000108.1L58 V358 E360 L368 A379L58-I370 HydrophobicContact CD2-CD1 3.43Å; L58-I370 VanDerWaalsContact CD2-CD1 3.43Å; V358-I370 HydrophobicContact CB-CG2 3.9Å; V358-I370 HydrophobicContact CG1-CG2 3.44Å; V358-I370 VanDerWaalsContact CG1-CG2 3.44Å; E360-I370 CarbonylContact O-C 3.58Å; E360-I370 VanDerWaalsContact O-CA 3.3Å; E360-I370 WeakPolarHBondContact O-CA 3.44Å; L368-I370 HydrophobicContact CB-CG1 4.33Å; I370-A379 HydrophobicContact CB-CB 4.18Å; I370-A379 PolarHBondContact N-O 2.94Å; I370-A379 PolarHBondContact O-N 3.32Å
371G98.3Very high97.4Very high0 Ų024.7 Ų24.70%012%0.117CC..EExtended strand (participates in β ladder)trans-77.8158.7174.500000111.6P72 V358 S359 E360P72-G371 CarbonylContact O-C 3.53Å; P72-G371 WeakPolarHBondContact O-CA 3.49Å; V358-G371 WeakPolarHBondContact CA-O 3.29Å; S359-G371 PolarHBondContact N-O 3.47Å; S359-G371 PolarHBondContact OG-O 3.47Å; E360-G371 PolarHBondContact O-N 3.12Å
372S97.5Very high97.4Very high3 Ų327.5 Ų27.52%0.02113%0.132CC..EExtended strand (participates in β ladder)trans-142.5138.2173.8179.70000111.8G71 P72 E73 A356 Y357 S359 R374 S375G71-S372 CarbonylContact C-O 3.54Å; G71-S372 WeakPolarHBondContact CA-O 3.28Å; P72-S372 CarbonylContact C-O 3.56Å; P72-S372 VanDerWaalsContact C-O 3.27Å; P72-S372 PolarHBondContact O-N 3.45Å; E73-S372 PolarHBondContact N-O 3.3Å; A356-S372 PolarHBondContact O-OG 2.98Å; A356-S372 VanDerWaalsContact O-OG 3.1Å; Y357-S372 WeakPolarHBondContact CB-OG 3.26Å; Y357-S372 VanDerWaalsContact O-CA 3.26Å; Y357-S372 WeakPolarHBondContact O-CA 3.39Å; Y357-S372 WeakPolarHBondContact O-CB 3.13Å; Y357-S372 PolarHBondContact O-OG 2.94Å; S359-S372 VanDerWaalsContact OG-CA 3.23Å; S359-S372 WeakPolarHBondContact OG-CA 2.98Å; S359-S372 PolarHBondContact OG-N 2.8Å; S359-S372 VanDerWaalsContact OG-N 3.15Å; S372-R374 PolarHBondContact O-N 2.85Å; S372-R374 PolarHBondContact OG-N 2.96Å; S372-S375 WeakPolarHBondContact OG-CB 3.39Å; S372-S375 PolarHBondContact OG-N 3.23Å; S372-S375 PolarHBondContact OG-OG 3.01Å
373F94.4Very high97.1Very high27 Ų2727.4 Ų27.412%0.11813%0.132CC..SBendtrans-76.20.9174.167.1-94.4000114.1E73 R121 A291 Y357 S359E73-F373 VanDerWaalsContact CD-CB 3.48Å; E73-F373 HydrophobicContact CG-CB 4Å; E73-F373 WeakPolarHBondContact OE2-CA 3.45Å; E73-F373 WeakPolarHBondContact OE2-CB 3.16Å; R121-F373 PolarHBondContact NH2-O 3.47Å; R121-F373 VanDerWaalsContact NH2-O 3.11Å; A291-F373 HydrophobicContact CB-CE1 3.62Å; A291-F373 HydrophobicContact CB-CZ 4.2Å; Y357-F373 HydrophobicContact CD1-CE2 4.36Å; Y357-F373 AromaticContact CD1-CZ 3.92Å; Y357-F373 HydrophobicContact CD1-CZ 3.92Å; Y357-F373 HydrophobicContact CG-CZ 4.29Å; Y357-F373 WeakPolarHBondContact O-CD1 3.45Å; Y357-F373 PolarHBondContact O-N 3.42Å; S359-F373 PolarHBondContact OG-N 3.23Å
374R94.3Very high96.3Very high101 Ų10134.5 Ų34.538%0.38117%0.165SC..SBendtrans-144.8-36.8-178.6-80.5179.2-177.9-157.5-1.5115.3Y196 Y357 S372Y196-R374 PolarHBondContact OH-NH2 2.85Å; Y357-R374 HydrophobicContact CD2-CB 3.76Å; Y357-R374 HydrophobicContact CE2-CB 4.37Å; Y357-R374 HydrophobicContact CG-CB 4.01Å; S372-R374 PolarHBondContact O-N 2.85Å; S372-R374 PolarHBondContact OG-N 2.96Å
375S97Very high94.6Very high6 Ų634.4 Ų34.44%0.04217%0.171CC..  trans-67.4144-171.4-62.40000111.2G71 P72 A356 S372 Y377G71-S375 WeakPolarHBondContact CA-O 3.12Å; G71-S375 PolarHBondContact N-O 2.91Å; P72-S375 WeakPolarHBondContact CD-O 3.24Å; A356-S375 PolarHBondContact O-OG 3.49Å; S372-S375 WeakPolarHBondContact OG-CB 3.39Å; S372-S375 PolarHBondContact OG-N 3.23Å; S372-S375 PolarHBondContact OG-OG 3.01Å; S375-Y377 PolarHBondContact O-N 3.1Å; S375-Y377 VanDerWaalsContact O-N 3.09Å
376P97.3Very high92.1Very high39 Ų3936.2 Ų36.225%0.25320%0.195SC..SBendtrans-87.936.7-174.437.5-38.6000112.9D67 L69D67-P376 PolarHBondContact N-O 2.92Å; D67-P376 VanDerWaalsContact N-O 3.07Å; D67-P376 WeakPolarHBondContact OD1-CG 3.47Å; L69-P376 PolarHBondContact N-O 2.8Å; L69-P376 CarbonylContact O-C 3.59Å; L69-P376 WeakPolarHBondContact O-CA 3.32Å; L69-P376 WeakPolarHBondContact O-CB 3.34Å
377Y98.2Very high92Very high14 Ų1437.3 Ų37.36%0.05520%0.197CC..SBendtrans-160.3166.3-174.551.9-101.1000111.5R63 L64 P72 V354 S375 A379R63-Y377 HydrophobicContact CB-CD2 4.36Å; R63-Y377 HydrophobicContact CB-CG 4.24Å; R63-Y377 HydrophobicContact CG-CD1 4.33Å; R63-Y377 HydrophobicContact CG-CD2 3.78Å; R63-Y377 HydrophobicContact CG-CE2 4.03Å; R63-Y377 HydrophobicContact CG-CG 3.96Å; R63-Y377 VanDerWaalsContact NE-CZ 3.3Å; R63-Y377 PolarHBondContact NH2-OH 3.39Å; L64-Y377 WeakPolarHBondContact O-CA 3.35Å; L64-Y377 WeakPolarHBondContact O-CB 3.5Å; P72-Y377 VanDerWaalsContact CG-O 3.27Å; P72-Y377 WeakPolarHBondContact CG-O 3.32Å; V354-Y377 WeakPolarHBondContact O-CE2 3.33Å; V354-Y377 PolarHBondContact O-OH 2.65Å; S375-Y377 PolarHBondContact O-N 3.1Å; S375-Y377 VanDerWaalsContact O-N 3.09Å; Y377-A379 HydrophobicContact CD2-CB 4.4Å; Y377-A379 HydrophobicContact CE2-CB 4.35Å
378I98.6Very high91.7Very high4 Ų435.9 Ų35.92%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-103.8125.6162.9-66.6170.4000107.6L64 L69 P72 I75 L94 Y369 V380L64-I378 PolarHBondContact N-O 2.68Å; L64-I378 PolarHBondContact O-N 2.84Å; L64-I378 VanDerWaalsContact O-N 3.08Å; L69-I378 HydrophobicContact CD1-CD1 3.96Å; L69-I378 HydrophobicContact CD1-CG1 3.81Å; P72-I378 HydrophobicContact CB-CD1 4.37Å; P72-I378 HydrophobicContact CB-CG1 3.99Å; P72-I378 HydrophobicContact CG-CG1 3.69Å; I75-I378 HydrophobicContact CD1-CB 4.42Å; I75-I378 HydrophobicContact CD1-CD1 3.93Å; I75-I378 HydrophobicContact CD1-CG1 3.93Å; I75-I378 HydrophobicContact CD1-CG2 3.66Å; I75-I378 HydrophobicContact CG1-CD1 4.2Å; L94-I378 HydrophobicContact CD1-CD1 3.63Å; Y369-I378 HydrophobicContact CD1-CG2 4.33Å; I378-V380 HydrophobicContact CG2-CG2 4.18Å
379A98.4Very high91.3Very high2 Ų237.9 Ų37.92%0.01720%0.203CC..EExtended strand (participates in β ladder)trans-87.2138.7173.900000109.9A61 R62 A355 I370 Y377A61-A379 HydrophobicContact CB-CB 4.14Å; R62-A379 CarbonylContact O-C 3.52Å; R62-A379 WeakPolarHBondContact O-CA 3.35Å; A355-A379 HydrophobicContact CB-CB 4.13Å; I370-A379 HydrophobicContact CB-CB 4.18Å; I370-A379 PolarHBondContact N-O 2.94Å; I370-A379 PolarHBondContact O-N 3.32Å; Y377-A379 HydrophobicContact CD2-CB 4.4Å; Y377-A379 HydrophobicContact CE2-CB 4.35Å
380V98.2Very high90.9Very high1 Ų138.5 Ų38.51%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-125.9114.9-179.6-173.80000110.7A61 R62 L64 K367 L368 Y369 I378A61-V380 CarbonylContact C-O 3.44Å; A61-V380 VanDerWaalsContact CA-O 3.25Å; A61-V380 WeakPolarHBondContact CA-O 3.46Å; R62-V380 HydrophobicContact CG-CB 4.05Å; R62-V380 PolarHBondContact N-O 2.88Å; R62-V380 PolarHBondContact O-N 3.48Å; L64-V380 HydrophobicContact CD1-CG2 3.51Å; L64-V380 HydrophobicContact CG-CG2 3.76Å; K367-V380 HydrophobicContact CB-CG1 3.94Å; K367-V380 HydrophobicContact CD-CG1 4.07Å; L368-V380 CarbonylContact O-C 3.29Å; L368-V380 VanDerWaalsContact O-CA 3.26Å; L368-V380 WeakPolarHBondContact O-CA 3.29Å; Y369-V380 HydrophobicContact CD1-CG1 4.25Å; Y369-V380 HydrophobicContact CD1-CG2 3.47Å; Y369-V380 VanDerWaalsContact CD1-CG2 3.47Å; Y369-V380 HydrophobicContact CE1-CG1 4.07Å; Y369-V380 HydrophobicContact CE1-CG2 3.74Å; Y369-V380 HydrophobicContact CG-CG2 4.26Å; I378-V380 HydrophobicContact CG2-CG2 4.18Å
381L98.3Very high90.4Very high2 Ų240.7 Ų40.71%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-101.3128.7176-179.266.7000109.7R57 L58 E60 A61 F347 K367 L368R57-L381 VanDerWaalsContact O-CD1 3.31Å; R57-L381 WeakPolarHBondContact O-CD1 3.32Å; L58-L381 HydrophobicContact CD2-CD2 4.23Å; E60-L381 HydrophobicContact CB-CD1 4.06Å; A61-L381 HydrophobicContact CB-CB 4.18Å; F347-L381 HydrophobicContact CB-CD2 4.34Å; F347-L381 HydrophobicContact CD1-CD2 4.41Å; F347-L381 HydrophobicContact CD2-CD2 3.7Å; F347-L381 HydrophobicContact CE2-CD2 4.03Å; F347-L381 HydrophobicContact CG-CD2 3.89Å; K367-L381 CarbonylContact C-O 3.49Å; K367-L381 VanDerWaalsContact CA-O 3.3Å; K367-L381 WeakPolarHBondContact CA-O 3.33Å; L368-L381 HydrophobicContact CB-CB 4.41Å; L368-L381 PolarHBondContact N-O 3.1Å; L368-L381 PolarHBondContact O-N 3.31Å
382D97.1Very high89.9Confident60 Ų6043.4 Ų43.432%0.32124%0.235SC..EExtended strand (participates in β ladder)trans-78.6122.4172.2-68-48000109.1R62 K367 Q384R62-D382 IonicContact CZ-OD2 3.63Å; R62-D382 IonicContact NH2-OD1 3.64Å; R62-D382 PolarHBondContact NH2-OD1 3.23Å; R62-D382 IonicContact NH2-OD2 3.7Å; R62-D382 PolarHBondContact NH2-OD2 2.93Å; K367-D382 WeakPolarHBondContact CD-OD1 3.3Å; K367-D382 WeakPolarHBondContact CE-OD1 3.48Å; K367-D382 WeakPolarHBondContact CG-OD1 3.41Å; K367-D382 IonicContact NZ-OD1 3.57Å; D382-Q384 VanDerWaalsContact C-N 3.28Å
383L93.9Very high89.3Confident21 Ų2146.3 Ų46.311%0.1125%0.251CS..THydrogen-bonded Turntrans-78.2-18.3179.2-67.4176.1000112.4W287 F347 E363 G366 L368W287-L383 HydrophobicContact CH2-CD2 4.23Å; W287-L383 HydrophobicContact CZ2-CD1 4.21Å; W287-L383 HydrophobicContact CZ2-CD2 4.27Å; F347-L383 HydrophobicContact CE2-CD2 3.66Å; F347-L383 HydrophobicContact CZ-CD2 3.85Å; E363-L383 HydrophobicContact CG-CD1 3.83Å; E363-L383 WeakPolarHBondContact OE1-CD1 3.34Å; G366-L383 VanDerWaalsContact O-CB 3.27Å; G366-L383 WeakPolarHBondContact O-CB 3.23Å; G366-L383 PolarHBondContact O-N 3.41Å; L368-L383 HydrophobicContact CD1-CD2 3.68Å; L368-L383 HydrophobicContact CD1-CG 4.46Å; L368-L383 HydrophobicContact CD2-CD1 4.3Å; L368-L383 HydrophobicContact CG-CD1 3.98Å; L368-L383 HydrophobicContact CG-CD2 3.73Å; L368-L383 HydrophobicContact CG-CG 3.96Å
384Q79.9Confident88.9Confident176 Ų17647.8 Ų47.882%0.82226%0.261SS*.THydrogen-bonded Turntrans-94.610.6-176.4-64.4-173-2.100113.9D382D382-Q384 VanDerWaalsContact C-N 3.28Å
385G61.7Low88.5Confident23 Ų2343.3 Ų43.324%0.23725%0.251CS..  trans-166.4172.3171.700000117.9R57R57-G385 PolarHBondContact NH1-O 3.43Å
386P43.1Very low87.7Confident172 Ų17246.7 Ų46.7100%1.11727%0.27SS*.  cis-61.60-30.229.7-33.4000112.5

Retrieved 386 of 386 residues in 599.9 ms (Link to these results)

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