A0A077Z2T0_TRITR Loading...

Nonsense-mediated mRNA decay factor SMG8

Involved in nonsense-mediated decay (NMD) of mRNAs containing premature stop codons.

AlphaFold DB , UniProt , Accession A0A077Z2T0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 442 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
1M46.2Very low64.7Low237 Ų237135 Ų135100%1.16771%0.705SS**  0116.30-69.6-167.5-89.500106.9
2S51.3Low66.4Low93 Ų93133.1 Ų133.165%0.6569%0.69SS**  trans-60.5140.3-171.153.10000110.9E4S2-E4 PolarHBondContact O-N 3.18Å
3Y53.8Low67.8Low208 Ų208127.4 Ų127.482%0.81667%0.674SS**THydrogen-bonded Turntrans-64.43.5-176-88.6-96.6000114.7
4E59.1Low69.3Low179 Ų179125.8 Ų125.884%0.83667%0.665SS**THydrogen-bonded Turntrans-106.7-9.6-165.6-67.3175.5164.800114.4S2 R6S2-E4 PolarHBondContact O-N 3.18Å; E4-R6 PolarHBondContact O-N 2.91Å
5A58Low70.7Confident64 Ų64121.4 Ų121.453%0.52965%0.654SS.*  trans-92.357-178.400000113.1V10A5-V10 HydrophobicContact CB-CG2 4.44Å; A5-V10 WeakPolarHBondContact O-CG2 3.16Å
6R62.6Low72Confident219 Ų219123.4 Ų123.483%0.82666%0.655SS**  trans-107.635.1174.6-67-174.5179.9169.40.4113.3E4E4-R6 PolarHBondContact O-N 2.91Å
7G69.6Low73.2Confident46 Ų46122.2 Ų122.247%0.47465%0.648SS.*  trans-78.7150.2175.200000112.7L9 V10G7-L9 PolarHBondContact O-N 3.03Å; G7-L9 VanDerWaalsContact O-N 3.12Å; G7-V10 WeakPolarHBondContact O-CB 3.49Å; G7-V10 WeakPolarHBondContact O-CG2 3.41Å; G7-V10 PolarHBondContact O-N 3.46Å; G7-V10 VanDerWaalsContact O-N 3.15Å
8S70.3Confident74.4Confident120 Ų120122.7 Ų122.784%0.83964%0.644SS**THydrogen-bonded Turntrans-60.3-18.217352.60000113.7
9L75.6Confident75.4Confident111 Ų111120.1 Ų120.158%0.58164%0.637SS**THydrogen-bonded Turntrans-97.73.7-179.1-60.3173.8000113.6G7 E11 E12 A13G7-L9 PolarHBondContact O-N 3.03Å; G7-L9 VanDerWaalsContact O-N 3.12Å; L9-E11 VanDerWaalsContact C-N 3.34Å; L9-E11 PolarHBondContact O-N 3.34Å; L9-E12 PolarHBondContact O-N 3.38Å; L9-A13 WeakPolarHBondContact O-CB 3.41Å; L9-A13 PolarHBondContact O-N 3.12Å
10V81.3Confident76.2Confident44 Ų44117.2 Ų117.227%0.26763%0.627SS.*Hα-helixtrans-64.2-40-176.5171.30000111.3A5 G7 A13 L14A5-V10 HydrophobicContact CB-CG2 4.44Å; A5-V10 WeakPolarHBondContact O-CG2 3.16Å; G7-V10 WeakPolarHBondContact O-CB 3.49Å; G7-V10 WeakPolarHBondContact O-CG2 3.41Å; G7-V10 PolarHBondContact O-N 3.46Å; G7-V10 VanDerWaalsContact O-N 3.15Å; V10-A13 PolarHBondContact O-N 3.29Å; V10-L14 HydrophobicContact CG1-CD1 3.92Å; V10-L14 HydrophobicContact CG1-CG 4.29Å; V10-L14 WeakPolarHBondContact O-CB 3.39Å; V10-L14 VanDerWaalsContact O-CG 3.31Å; V10-L14 WeakPolarHBondContact O-CG 3.41Å; V10-L14 PolarHBondContact O-N 3.48Å
11E84Confident77Confident164 Ų164115.1 Ų115.177%0.76662%0.62SS**Hα-helixtrans-63.2-43.6178.5-64.7-174.9170.600111.7L9 L14 A15L9-E11 VanDerWaalsContact C-N 3.34Å; L9-E11 PolarHBondContact O-N 3.34Å; E11-L14 PolarHBondContact O-N 2.98Å; E11-A15 WeakPolarHBondContact O-CB 3.37Å; E11-A15 PolarHBondContact O-N 3.46Å
12E85Confident79Confident112 Ų112107.5 Ų107.552%0.52358%0.582SS.*Hα-helixtrans-64.8-41.1176.1-65.4-175.2-175.700112.3L9 A15 K16L9-E12 PolarHBondContact O-N 3.38Å; E12-A15 PolarHBondContact O-N 3.15Å; E12-K16 WeakPolarHBondContact O-CG 3.32Å; E12-K16 PolarHBondContact O-N 3.41Å
13A85Confident80.7Confident59 Ų59109.9 Ų109.949%0.48858%0.583SS.*Hα-helixtrans-65.2-42177.400000111.6L9 V10 K16 L17L9-A13 WeakPolarHBondContact O-CB 3.41Å; L9-A13 PolarHBondContact O-N 3.12Å; V10-A13 PolarHBondContact O-N 3.29Å; A13-K16 PolarHBondContact O-N 2.87Å; A13-L17 WeakPolarHBondContact O-CB 3.43Å; A13-L17 PolarHBondContact O-N 2.83Å
14L88.3Confident82.2Confident105 Ų105103.8 Ų103.855%0.5557%0.567SS.*Hα-helixtrans-64.6-40.5175.1-74.7174.6000111.9V10 E11 L17 K18V10-L14 HydrophobicContact CG1-CD1 3.92Å; V10-L14 HydrophobicContact CG1-CG 4.29Å; V10-L14 WeakPolarHBondContact O-CB 3.39Å; V10-L14 VanDerWaalsContact O-CG 3.31Å; V10-L14 WeakPolarHBondContact O-CG 3.41Å; V10-L14 PolarHBondContact O-N 3.48Å; E11-L14 PolarHBondContact O-N 2.98Å; L14-L17 PolarHBondContact O-N 3.36Å; L14-K18 VanDerWaalsContact O-CB 3.32Å; L14-K18 WeakPolarHBondContact O-CB 3.47Å; L14-K18 PolarHBondContact O-N 3.39Å
15A90.3Very high83.4Confident60 Ų60100.3 Ų100.350%0.49655%0.546SS..Hα-helixtrans-63.4-45176.500000111.9E11 E12 K18 S19E11-A15 WeakPolarHBondContact O-CB 3.37Å; E11-A15 PolarHBondContact O-N 3.46Å; E12-A15 PolarHBondContact O-N 3.15Å; A15-K18 PolarHBondContact O-N 2.93Å; A15-S19 PolarHBondContact O-N 3.29Å
16K91.6Very high84.4Confident153 Ų153102.8 Ų102.867%0.66554%0.542SS*.Hα-helixtrans-62.3-43.2174.8-74.1175.8-176.9170.90112E12 A13 S19 S20E12-K16 WeakPolarHBondContact O-CG 3.32Å; E12-K16 PolarHBondContact O-N 3.41Å; A13-K16 PolarHBondContact O-N 2.87Å; K16-S19 PolarHBondContact O-N 3.29Å; K16-S20 WeakPolarHBondContact O-CB 3.31Å; K16-S20 PolarHBondContact O-N 3.45Å
17L92.6Very high85.3Confident103 Ų10395.4 Ų95.454%0.53954%0.535SS..Hα-helixtrans-62.8-45.5176.5-179.361.7000111.2A13 L14 S19 S20 C21A13-L17 WeakPolarHBondContact O-CB 3.43Å; A13-L17 PolarHBondContact O-N 2.83Å; L14-L17 PolarHBondContact O-N 3.36Å; L17-S19 PolarHBondContact O-N 3.47Å; L17-S20 PolarHBondContact O-N 3Å; L17-C21 WeakPolarHBondContact O-CB 3.42Å; L17-C21 PolarHBondContact O-N 3.4Å; L17-C21 PolarHBondContact O-SG 2.93Å
18K94Very high85.5Confident131 Ų13195 Ų9557%0.5753%0.53SS*.Hα-helixtrans-58.1-48.1176.5-175.5-178174-173.40111.2L14 A15 S20 C21 E22L14-K18 VanDerWaalsContact O-CB 3.32Å; L14-K18 WeakPolarHBondContact O-CB 3.47Å; L14-K18 PolarHBondContact O-N 3.39Å; A15-K18 PolarHBondContact O-N 2.93Å; K18-S20 PolarHBondContact O-N 2.95Å; K18-C21 PolarHBondContact O-N 2.9Å; K18-E22 WeakPolarHBondContact CE-OE1 3.47Å; K18-E22 IonicContact NZ-OE1 2.98Å; K18-E22 WeakPolarHBondContact O-CB 3.42Å; K18-E22 WeakPolarHBondContact O-CG 3.23Å; K18-E22 PolarHBondContact O-N 2.86Å
19S93.4Very high86.1Confident73 Ų7397.7 Ų97.751%0.5152%0.521SS..Hα-helixtrans-59.4-44.7177.5-171.70000112.1A15 K16 L17 E22 E23A15-S19 PolarHBondContact O-N 3.29Å; K16-S19 PolarHBondContact O-N 3.29Å; L17-S19 PolarHBondContact O-N 3.47Å; S19-E22 PolarHBondContact O-N 3.46Å; S19-E23 PolarHBondContact O-N 3.4Å
20S92.4Very high86.4Confident63 Ų6393.5 Ų93.544%0.44150%0.499SS..Hα-helixtrans-66.4-39.4178.3-177.70000112.2K16 L17 K18 E23 V24K16-S20 WeakPolarHBondContact O-CB 3.31Å; K16-S20 PolarHBondContact O-N 3.45Å; L17-S20 PolarHBondContact O-N 3Å; K18-S20 PolarHBondContact O-N 2.95Å; S20-E23 PolarHBondContact O-N 3.4Å; S20-V24 WeakPolarHBondContact O-CG2 2.97Å; S20-V24 PolarHBondContact O-N 3.46Å; S20-V24 VanDerWaalsContact O-N 3.14Å
21C92.6Very high86.5Confident73 Ų7395.6 Ų95.649%0.49351%0.506SS..Hα-helixtrans-65.1-41.9174.1-72.50000112.1L17 K18 V24 W25L17-C21 WeakPolarHBondContact O-CB 3.42Å; L17-C21 PolarHBondContact O-N 3.4Å; L17-C21 PolarHBondContact O-SG 2.93Å; K18-C21 PolarHBondContact O-N 2.9Å; C21-V24 PolarHBondContact O-N 3.37Å; C21-W25 VanDerWaalsContact O-CB 3.23Å; C21-W25 WeakPolarHBondContact O-CB 3.37Å; C21-W25 PolarHBondContact O-N 2.84Å
22E88Confident86.5Confident78 Ų7888.8 Ų88.836%0.36448%0.476SS..Hα-helixtrans-64.5-39.1177.7-77.7-179.617700111.7K18 S19 W25 R26K18-E22 WeakPolarHBondContact CE-OE1 3.47Å; K18-E22 IonicContact NZ-OE1 2.98Å; K18-E22 WeakPolarHBondContact O-CB 3.42Å; K18-E22 WeakPolarHBondContact O-CG 3.23Å; K18-E22 PolarHBondContact O-N 2.86Å; S19-E22 PolarHBondContact O-N 3.46Å; E22-W25 PolarHBondContact O-N 3.01Å; E22-R26 VanDerWaalsContact O-CB 3.25Å; E22-R26 WeakPolarHBondContact O-CB 3.46Å; E22-R26 VanDerWaalsContact O-CG 3.25Å; E22-R26 WeakPolarHBondContact O-CG 3.25Å; E22-R26 PolarHBondContact O-N 2.86Å
23E87.3Confident86.6Confident142 Ų14290.6 Ų90.666%0.66448%0.484SS*.Hα-helixtrans-61.4-48.2174.5-174179.9-178.300111.5S19 S20 W25 R26 G27S19-E23 PolarHBondContact O-N 3.4Å; S20-E23 PolarHBondContact O-N 3.4Å; E23-W25 VanDerWaalsContact C-N 3.34Å; E23-W25 PolarHBondContact O-N 3.14Å; E23-R26 PolarHBondContact O-N 3.47Å; E23-G27 PolarHBondContact O-N 3.37Å
24V86.2Confident86.6Confident80 Ų8088.9 Ų88.949%0.48547%0.471SS..Hα-helixtrans-66.2-36.3177.1174.80000112S20 C21S20-V24 WeakPolarHBondContact O-CG2 2.97Å; S20-V24 PolarHBondContact O-N 3.46Å; S20-V24 VanDerWaalsContact O-N 3.14Å; C21-V24 PolarHBondContact O-N 3.37Å
25W82.5Confident86.6Confident107 Ų10788.1 Ų88.141%0.40547%0.47SS..Hα-helixtrans-68.5-45.8178.2-177.851000111.5C21 E22 E23 G27 R29 Q30C21-W25 VanDerWaalsContact O-CB 3.23Å; C21-W25 WeakPolarHBondContact O-CB 3.37Å; C21-W25 PolarHBondContact O-N 2.84Å; E22-W25 PolarHBondContact O-N 3.01Å; E23-W25 VanDerWaalsContact C-N 3.34Å; E23-W25 PolarHBondContact O-N 3.14Å; W25-G27 VanDerWaalsContact C-N 3.3Å; W25-G27 PolarHBondContact O-N 2.95Å; W25-R29 CarbonylContact O-C 3.57Å; W25-R29 WeakPolarHBondContact O-CA 3.25Å; W25-R29 PolarHBondContact O-N 2.82Å; W25-R29 VanDerWaalsContact O-N 3.08Å; W25-Q30 HydrophobicContact CH2-CG 4.3Å; W25-Q30 HydrophobicContact CZ2-CG 3.79Å; W25-Q30 PolarHBondContact O-N 3.08Å
26R81Confident86.5Confident115 Ų11585.6 Ų85.643%0.43445%0.449SS..Hα-helixtrans-69.9-25.5176.2-70.5-177-175.3-71.50.1112.5E22 E23 G28 L48E22-R26 VanDerWaalsContact O-CB 3.25Å; E22-R26 WeakPolarHBondContact O-CB 3.46Å; E22-R26 VanDerWaalsContact O-CG 3.25Å; E22-R26 WeakPolarHBondContact O-CG 3.25Å; E22-R26 PolarHBondContact O-N 2.86Å; E23-R26 PolarHBondContact O-N 3.47Å; R26-G28 PolarHBondContact O-N 2.94Å; R26-L48 HydrophobicContact CB-CD1 4.18Å; R26-L48 WeakPolarHBondContact O-CD1 3.25Å
27G79.7Confident86.4Confident65 Ų6579.1 Ų79.167%0.6742%0.421SS*.THydrogen-bonded Turntrans-68.342174.600000115.4E23 W25E23-G27 PolarHBondContact O-N 3.37Å; W25-G27 VanDerWaalsContact C-N 3.3Å; W25-G27 PolarHBondContact O-N 2.95Å
28G75.6Confident86.2Confident36 Ų3674.3 Ų74.337%0.37140%0.396SS..THydrogen-bonded Turntrans89.811.9175.500000115.4R26 Q45R26-G28 PolarHBondContact O-N 2.94Å; G28-Q45 PolarHBondContact O-OE1 2.81Å
29R81.8Confident85.8Confident177 Ų17770.4 Ų70.467%0.66839%0.393SS*.THydrogen-bonded Turntrans-103.4-1.5174.4-63.4178.5-176-107.4-0.9113.2W25 Q31W25-R29 CarbonylContact O-C 3.57Å; W25-R29 WeakPolarHBondContact O-CA 3.25Å; W25-R29 PolarHBondContact O-N 2.82Å; W25-R29 VanDerWaalsContact O-N 3.08Å; R29-Q31 PolarHBondContact O-N 2.94Å
30Q81.8Confident85.7Confident23 Ų2369 Ų6911%0.10738%0.38CS..PPolyproline II helixtrans-71.4125.1178.4-172.9172.11400109.6W25 Q45 V46W25-Q30 HydrophobicContact CH2-CG 4.3Å; W25-Q30 HydrophobicContact CZ2-CG 3.79Å; W25-Q30 PolarHBondContact O-N 3.08Å; Q30-Q45 CarbonylContact O-C 3.55Å; Q30-Q45 WeakPolarHBondContact O-CA 3.4Å; Q30-V46 HydrophobicContact CB-CB 4.25Å; Q30-V46 HydrophobicContact CG-CB 4.2Å; Q30-V46 HydrophobicContact CG-CG2 4.02Å; Q30-V46 PolarHBondContact O-N 2.75Å
31Q83.1Confident85.5Confident88 Ų8870.3 Ų70.341%0.41139%0.387SS..BIsolated β-bridgetrans-83.2150.6171.9-69.5-69.4-3600109.5R29 E33 Q45R29-Q31 PolarHBondContact O-N 2.94Å; Q31-E33 PolarHBondContact O-N 2.83Å; Q31-Q45 VanDerWaalsContact NE2-CG 3.31Å
32C85.1Confident85.4Confident21 Ų2167.1 Ų67.114%0.14237%0.365CS..PPolyproline II helixtrans-65.4126.2170.8-177.50000109.5A34 C42 L44 V46 H62C32-A34 PolarHBondContact O-N 2.92Å; C32-A34 VanDerWaalsContact SG-CB 3.54Å; C32-C42 HydrophobicContact CB-CB 3.8Å; C32-L44 WeakPolarHBondContact CB-O 3.07Å; C32-L44 PolarHBondContact N-O 2.68Å; C32-V46 HydrophobicContact CB-CG2 4.4Å; C32-H62 PolarHBondContact SG-CE1 3.43Å; C32-H62 PolarHBondContact SG-ND1 3.33Å
33E85.6Confident85.4Confident150 Ų15065.6 Ų65.670%0.70136%0.363SS*.  trans-842-179.5-63.8176.7-175.500112.9Q31Q31-E33 PolarHBondContact O-N 2.83Å
34A86.5Confident85.3Confident24 Ų2461 Ų6120%0.19834%0.343CS..  trans-66.5136.7177.600000110.9C32 C42 F85C32-A34 PolarHBondContact O-N 2.92Å; C32-A34 VanDerWaalsContact SG-CB 3.54Å; A34-C42 HydrophobicContact CB-CB 4.23Å; A34-C42 VanDerWaalsContact O-CB 3.31Å; A34-C42 WeakPolarHBondContact O-CB 3.36Å; A34-C42 PolarHBondContact O-N 2.74Å; A34-F85 HydrophobicContact CB-CD1 4.31Å; A34-F85 HydrophobicContact CB-CE1 4.21Å
35V87.3Confident84.8Confident88 Ų8862.6 Ų62.653%0.53335%0.345SS..BIsolated β-bridgetrans-112.3135.2175.8-175.90000108.1G39V35-G39 VanDerWaalsContact CG1-C 3.49Å
36S89.5Confident84.2Confident7 Ų759.7 Ų59.75%0.04934%0.339CS..  trans-66.9166.1176.6700000111.7C38 G39 N40 D83 P84S36-C38 PolarHBondContact O-N 2.7Å; S36-C38 PolarHBondContact OG-N 2.84Å; S36-G39 PolarHBondContact O-N 2.66Å; S36-G39 PolarHBondContact OG-N 3.11Å; S36-N40 PolarHBondContact N-O 2.84Å; S36-N40 PolarHBondContact OG-N 3.22Å; S36-N40 PolarHBondContact OG-O 3.37Å; S36-D83 WeakPolarHBondContact CB-OD1 3.44Å; S36-D83 WeakPolarHBondContact CB-OD2 3.41Å; S36-D83 PolarHBondContact OG-OD1 3.49Å; S36-D83 PolarHBondContact OG-OD2 2.59Å; S36-P84 WeakPolarHBondContact CB-O 3.01Å
37M88.2Confident83.2Confident18 Ų1859.5 Ų59.59%0.08935%0.346CS..THydrogen-bonded Turntrans-62.9-20.7173.3-60.3-52.7-59.700112.3P84 L87 I399 H401 T407M37-P84 HydrophobicContact CB-CG 4.34Å; M37-P84 WeakPolarHBondContact CB-O 3.49Å; M37-P84 WeakPolarHBondContact CG-O 3.34Å; M37-P84 PolarHBondContact N-O 3.03Å; M37-L87 HydrophobicContact CE-CD2 4.36Å; M37-L87 HydrophobicContact CE-CG 4.26Å; M37-I399 HydrophobicContact CB-CD1 4.21Å; M37-I399 HydrophobicContact CB-CG1 4.02Å; M37-I399 HydrophobicContact CB-CG2 4.21Å; M37-I399 HydrophobicContact CE-CG2 3.85Å; M37-H401 HydrophobicContact CE-CB 3.57Å; M37-H401 WeakPolarHBondContact CE-CD2 3.35Å; M37-H401 VanDerWaalsContact CE-CG 3.41Å; M37-T407 HydrophobicContact CE-CG2 3.83Å; M37-T407 VanDerWaalsContact O-CG2 3.3Å; M37-T407 WeakPolarHBondContact O-CG2 3.23Å
38C88.1Confident82Confident1 Ų159.9 Ų59.91%0.00733%0.332CS..THydrogen-bonded Turntrans-90.58.6171.3-61.30000113.5S36 N40 D83 W409S36-C38 PolarHBondContact O-N 2.7Å; S36-C38 PolarHBondContact OG-N 2.84Å; C38-N40 VanDerWaalsContact C-N 3.33Å; C38-N40 PolarHBondContact O-N 3.49Å; C38-D83 WeakPolarHBondContact CB-OD1 3.38Å; C38-D83 PolarHBondContact SG-OD1 2.78Å; C38-D83 VanDerWaalsContact SG-OD1 3.37Å; C38-W409 HydrophobicContact CB-CD2 3.69Å; C38-W409 HydrophobicContact CB-CE3 4.18Å; C38-W409 HydrophobicContact CB-CG 3.97Å; C38-W409 HydrophobicContact CB-CH2 4.4Å; C38-W409 HydrophobicContact CB-CZ2 3.99Å; C38-W409 HydrophobicContact CB-CZ3 4.5Å; C38-W409 WeakPolarHBondContact O-CZ3 3.37Å; C38-W409 VanDerWaalsContact SG-CD1 3.54Å; C38-W409 PolarHBondContact SG-NE1 3.47Å; C38-W409 VanDerWaalsContact SG-NE1 3.42Å
39G86.8Confident80.9Confident50 Ų5062.9 Ų62.952%0.51535%0.345SS..SBendtrans79.18.5175.300000115.4V35 S36V35-G39 VanDerWaalsContact CG1-C 3.49Å; S36-G39 PolarHBondContact O-N 2.66Å; S36-G39 PolarHBondContact OG-N 3.11Å
40N89.8Confident79.2Confident42 Ų4256.6 Ų56.623%0.22534%0.335CS..PPolyproline II helixtrans-89.7136.8176-53.4-64.2000110.1S36 C38 V66 D83S36-N40 PolarHBondContact N-O 2.84Å; S36-N40 PolarHBondContact OG-N 3.22Å; S36-N40 PolarHBondContact OG-O 3.37Å; C38-N40 VanDerWaalsContact C-N 3.33Å; C38-N40 PolarHBondContact O-N 3.49Å; N40-V66 HydrophobicContact CB-CG2 4.34Å; N40-D83 WeakPolarHBondContact CB-OD2 3.25Å; N40-D83 PolarHBondContact ND2-OD2 3.43Å
41P90.1Very high77.6Confident92 Ų9264.9 Ų64.960%0.59737%0.374SS*.BIsolated β-bridgetrans-69.6148.6177.129.3-34.4000111.3S64P41-S64 WeakPolarHBondContact O-CB 3.44Å
42C90.1Very high76Confident5 Ų568.1 Ų68.13%0.03439%0.389CS..PPolyproline II helixtrans-61.4138.5170.9-174.20000110.6C32 A34 L44 H62 D63 F85C32-C42 HydrophobicContact CB-CB 3.8Å; A34-C42 HydrophobicContact CB-CB 4.23Å; A34-C42 VanDerWaalsContact O-CB 3.31Å; A34-C42 WeakPolarHBondContact O-CB 3.36Å; A34-C42 PolarHBondContact O-N 2.74Å; C42-L44 PolarHBondContact SG-N 2.89Å; C42-H62 HydrophobicContact CB-CB 4.5Å; C42-D63 PolarHBondContact SG-N 3.22Å; C42-F85 HydrophobicContact CB-CE1 4.02Å; C42-F85 HydrophobicContact CB-CZ 4.08Å
43S87.7Confident74.3Confident46 Ų4676.9 Ų76.932%0.32243%0.428SS..  trans-90.3-7.5179.468.60000113.8D63 K65S43-D63 WeakPolarHBondContact CB-O 3.39Å; S43-D63 PolarHBondContact N-O 3.43Å; S43-D63 PolarHBondContact OG-O 2.72Å; S43-K65 WeakPolarHBondContact OG-CE 3.3Å; S43-K65 WeakPolarHBondContact OG-CG 3.42Å
44L84.6Confident72.4Confident45 Ų4575.7 Ų75.724%0.23643%0.426CS..  trans-80.6140.8-176.6-58.5-179.9000110.5C32 C42 L60 A61 D63C32-L44 WeakPolarHBondContact CB-O 3.07Å; C32-L44 PolarHBondContact N-O 2.68Å; C42-L44 PolarHBondContact SG-N 2.89Å; L44-L60 HydrophobicContact CD1-CB 4.26Å; L44-A61 VanDerWaalsContact CD1-O 3.25Å; L44-A61 WeakPolarHBondContact CD1-O 3.39Å; L44-D63 HydrophobicContact CD1-CB 4.4Å; L44-D63 HydrophobicContact CG-CB 4.39Å
45Q75.2Confident70.6Confident114 Ų11480 Ų8053%0.53345%0.446SS..BIsolated β-bridgetrans-78.8142.9169.2-71170.537.900109.6G28 Q30 Q31 I47G28-Q45 PolarHBondContact O-OE1 2.81Å; Q30-Q45 CarbonylContact O-C 3.55Å; Q30-Q45 WeakPolarHBondContact O-CA 3.4Å; Q31-Q45 VanDerWaalsContact NE2-CG 3.31Å; Q45-I47 PolarHBondContact O-N 2.81Å; Q45-I47 VanDerWaalsContact O-N 3.11Å
46V70.8Confident68.9Low47 Ų4781.4 Ų81.429%0.28546%0.46SS..  trans-67.8111.2172.1179.30000107.2Q30 C32 L48Q30-V46 HydrophobicContact CB-CB 4.25Å; Q30-V46 HydrophobicContact CG-CB 4.2Å; Q30-V46 HydrophobicContact CG-CG2 4.02Å; Q30-V46 PolarHBondContact O-N 2.75Å; C32-V46 HydrophobicContact CB-CG2 4.4Å; V46-L48 HydrophobicContact CG1-CD2 4.46Å; V46-L48 PolarHBondContact O-N 3.49Å
47I60.4Low66.8Low110 Ų11084.9 Ų84.956%0.56448%0.478SS*.  trans-77.2103.6163.8-55.8173.5000104.3Q45 L57 L60Q45-I47 PolarHBondContact O-N 2.81Å; Q45-I47 VanDerWaalsContact O-N 3.11Å; I47-L57 HydrophobicContact CG2-CD1 4.17Å; I47-L60 HydrophobicContact CD1-CD1 4.01Å
48L54.1Low64.9Low74 Ų7488.9 Ų88.939%0.38751%0.505SS..  trans-55.3143.2166.3-72.4178.4000107.7R26 V46 G50R26-L48 HydrophobicContact CB-CD1 4.18Å; R26-L48 WeakPolarHBondContact O-CD1 3.25Å; V46-L48 HydrophobicContact CG1-CD2 4.46Å; V46-L48 PolarHBondContact O-N 3.49Å; L48-G50 PolarHBondContact O-N 3.23Å
49P52.5Low63.6Low99 Ų9995.8 Ų95.864%0.64355%0.546SS*.  trans-45.4111161.6-2030.6000107.2L57P49-L57 VanDerWaalsContact CA-CD1 3.45Å; P49-L57 HydrophobicContact CB-CD1 4.28Å
50G46.6Very low62.5Low45 Ų4598 Ų9846%0.46455%0.546SS..  trans-53.2149.1158.500000105.9L48 E52L48-G50 PolarHBondContact O-N 3.23Å; G50-E52 PolarHBondContact O-N 3.33Å
51E47.7Very low62Low197 Ų197100.1 Ų100.192%0.92157%0.569SS**SBendtrans-59.810.8177.4-58.1176.8168.400113.5E53E51-E53 VanDerWaalsContact C-N 3.32Å; E51-E53 PolarHBondContact O-N 3.46Å
52E49.2Very low61.8Low156 Ų156100 Ų10073%0.72956%0.56SS**  trans-67.992.2166.9-60.2-171.1-178.800108.2G50 D54G50-E52 PolarHBondContact O-N 3.33Å; E52-D54 PolarHBondContact O-N 3.14Å
53E48.4Very low61.7Low205 Ų205101.6 Ų101.696%0.95857%0.569SS**SBendtrans-58.11.8174.4-70.2-179.3147.200114.2E51E51-E53 VanDerWaalsContact C-N 3.32Å; E51-E53 PolarHBondContact O-N 3.46Å
54D47.4Very low61.7Low124 Ų124100 Ų10066%0.66356%0.558SS**SBendtrans-136.4144.2-179.4-163.913.8000109E52E52-D54 PolarHBondContact O-N 3.14Å
55N47.2Very low62Low114 Ų114104.6 Ų104.661%0.6158%0.576SS**SBendtrans81.489.7-168.4-46-54.2000113.2L57N55-L57 VanDerWaalsContact C-N 3.32Å; N55-L57 PolarHBondContact O-N 2.74Å
56S52.2Low62.8Low118 Ų118101.8 Ų101.883%0.82557%0.566SS**  trans-26.896.6148.352.90000110.3P58S56-P58 VanDerWaalsContact O-N 3.14Å
57L45.4Very low63.8Low81 Ų81101.9 Ų101.942%0.42457%0.572SS.*  trans-52129.8174.4-81-179.2000105.8I47 P49 N55 V59I47-L57 HydrophobicContact CG2-CD1 4.17Å; P49-L57 VanDerWaalsContact CA-CD1 3.45Å; P49-L57 HydrophobicContact CB-CD1 4.28Å; N55-L57 VanDerWaalsContact C-N 3.32Å; N55-L57 PolarHBondContact O-N 2.74Å; L57-V59 PolarHBondContact O-N 2.84Å
58P48.7Very low65Low102 Ų10299.6 Ų99.666%0.66256%0.558SS**  trans-55.3117.3178.520.4-28.9000106.3S56 L60S56-P58 VanDerWaalsContact O-N 3.14Å; P58-L60 PolarHBondContact O-N 3.24Å
59V60.9Low66.7Low145 Ų145100.5 Ų100.588%0.87956%0.563SS**  trans-61.792.2170.9178.30000104.6L57 A61L57-V59 PolarHBondContact O-N 2.84Å; V59-A61 PolarHBondContact O-N 2.84Å
60L63.5Low68.5Low98 Ų9896.7 Ų96.751%0.51354%0.538SS..PPolyproline II helixtrans-63.1126.2179.1-72.4171.3000106.4L44 I47 P58 H62L44-L60 HydrophobicContact CD1-CB 4.26Å; I47-L60 HydrophobicContact CD1-CD1 4.01Å; P58-L60 PolarHBondContact O-N 3.24Å; L60-H62 PolarHBondContact O-N 3.42Å
61A79.2Confident70.5Confident85 Ų8595 Ų9570%0.70252%0.519SS*.PPolyproline II helixtrans-57.6134.6171.100000108.8L44 V59L44-A61 VanDerWaalsContact CD1-O 3.25Å; L44-A61 WeakPolarHBondContact CD1-O 3.39Å; V59-A61 PolarHBondContact O-N 2.84Å
62H85.8Confident72.6Confident90 Ų9085.6 Ų85.642%0.41748%0.475SS..PPolyproline II helixtrans-58.6147176.6-58.5-63.3000111C32 C42 L60 F85C32-H62 PolarHBondContact SG-CE1 3.43Å; C32-H62 PolarHBondContact SG-ND1 3.33Å; C42-H62 HydrophobicContact CB-CB 4.5Å; L60-H62 PolarHBondContact O-N 3.42Å; H62-F85 HydrophobicContact CB-CB 4.27Å; H62-F85 HydrophobicContact CB-CD1 3.41Å; H62-F85 VanDerWaalsContact CB-CD1 3.41Å; H62-F85 HydrophobicContact CB-CD2 3.67Å; H62-F85 HydrophobicContact CB-CE1 3.5Å; H62-F85 HydrophobicContact CB-CE2 3.76Å; H62-F85 HydrophobicContact CB-CG 3.5Å; H62-F85 VanDerWaalsContact CB-CG 3.5Å; H62-F85 HydrophobicContact CB-CZ 3.67Å; H62-F85 AromaticContact CG-CD1 3.98Å; H62-F85 WeakPolarHBondContact O-CE2 3.29Å
63D88Confident74.5Confident39 Ų3978.2 Ų78.221%0.20944%0.441CS..  trans-147.9119.9-178.8-176.93.9000109.8C42 S43 L44 K65C42-D63 PolarHBondContact SG-N 3.22Å; S43-D63 WeakPolarHBondContact CB-O 3.39Å; S43-D63 PolarHBondContact N-O 3.43Å; S43-D63 PolarHBondContact OG-O 2.72Å; L44-D63 HydrophobicContact CD1-CB 4.4Å; L44-D63 HydrophobicContact CG-CB 4.39Å; D63-K65 WeakPolarHBondContact OD1-CA 3.11Å; D63-K65 PolarHBondContact OD1-N 3.42Å; D63-K65 WeakPolarHBondContact OD2-CD 3.31Å; D63-K65 WeakPolarHBondContact OD2-CE 3.2Å; D63-K65 IonicContact OD2-NZ 3.87Å; D63-K65 PolarHBondContact OD2-NZ 3.26Å
64S88.8Confident76.3Confident13 Ų1368.4 Ų68.49%0.09140%0.395CS..  trans-88.1-4.1176.570.10000113.2P41 V66 D83P41-S64 WeakPolarHBondContact O-CB 3.44Å; S64-V66 PolarHBondContact O-N 3.37Å; S64-V66 VanDerWaalsContact O-N 3.14Å; S64-V66 WeakPolarHBondContact OG-CB 3.2Å; S64-V66 PolarHBondContact OG-N 2.9Å; S64-D83 WeakPolarHBondContact OG-CB 3.49Å; S64-D83 PolarHBondContact OG-OD2 2.78Å
65K91Very high78Confident140 Ų14062.5 Ų62.561%0.60936%0.363SS*.SBendtrans623.6-169-51.9-60.2175-167.90114.9S43 D63S43-K65 WeakPolarHBondContact OG-CE 3.3Å; S43-K65 WeakPolarHBondContact OG-CG 3.42Å; D63-K65 WeakPolarHBondContact OD1-CA 3.11Å; D63-K65 PolarHBondContact OD1-N 3.42Å; D63-K65 WeakPolarHBondContact OD2-CD 3.31Å; D63-K65 WeakPolarHBondContact OD2-CE 3.2Å; D63-K65 IonicContact OD2-NZ 3.87Å; D63-K65 PolarHBondContact OD2-NZ 3.26Å
66V90.2Very high79.9Confident55 Ų5559.2 Ų59.233%0.33334%0.344SS..  trans-83.8131.4173.8-179.70000108.9N40 S64 D83N40-V66 HydrophobicContact CB-CG2 4.34Å; S64-V66 PolarHBondContact O-N 3.37Å; S64-V66 VanDerWaalsContact O-N 3.14Å; S64-V66 WeakPolarHBondContact OG-CB 3.2Å; S64-V66 PolarHBondContact OG-N 2.9Å; V66-D83 HydrophobicContact CB-CB 4.08Å; V66-D83 WeakPolarHBondContact O-CB 3.2Å; V66-D83 PolarHBondContact O-N 2.94Å
67A91.7Very high81.7Confident49 Ų4955.2 Ų55.241%0.40532%0.316SS..EExtended strand (participates in β ladder)trans-145.1151.3174.100000110.4I80 R81A67-I80 HydrophobicContact CB-CG2 3.76Å; A67-R81 CarbonylContact C-O 3.37Å; A67-R81 WeakPolarHBondContact CA-O 3.41Å; A67-R81 WeakPolarHBondContact CB-O 3.46Å
68F87Confident83.9Confident62 Ų6254.6 Ų54.627%0.27231%0.311SS..EExtended strand (participates in β ladder)trans-145.3156.3-17845.1-88.8000110.7S70 R81 F398F68-S70 PolarHBondContact O-N 2.98Å; F68-R81 HydrophobicContact CD2-CB 4.09Å; F68-R81 HydrophobicContact CE2-CB 3.86Å; F68-R81 HydrophobicContact CE2-CG 3.85Å; F68-R81 HydrophobicContact CZ-CB 4.31Å; F68-R81 HydrophobicContact CZ-CG 3.95Å; F68-R81 PolarHBondContact N-O 3.03Å; F68-R81 PolarHBondContact O-N 2.84Å; F68-F398 HydrophobicContact CE1-CZ 4.31Å; F68-F398 HydrophobicContact CE2-CE1 4.1Å; F68-F398 AromaticContact CE2-CE2 3.85Å; F68-F398 HydrophobicContact CE2-CE2 3.85Å; F68-F398 AromaticContact CE2-CZ 3.43Å; F68-F398 HydrophobicContact CE2-CZ 3.43Å; F68-F398 VanDerWaalsContact CE2-CZ 3.43Å; F68-F398 AromaticContact CZ-CE1 3.66Å; F68-F398 HydrophobicContact CZ-CE1 3.66Å; F68-F398 HydrophobicContact CZ-CE2 4.13Å; F68-F398 AromaticContact CZ-CZ 3.23Å; F68-F398 HydrophobicContact CZ-CZ 3.23Å
69L89.1Confident86Confident94 Ų9450.4 Ų50.449%0.49228%0.284SS..EExtended strand (participates in β ladder)trans-75.5128178.7-169.267.8000109.9Q78L69-Q78 HydrophobicContact CD1-CB 4.08Å; L69-Q78 HydrophobicContact CG-CB 4.44Å
70S89.6Confident87.5Confident18 Ų1848.7 Ų48.713%0.12627%0.269CS..EExtended strand (participates in β ladder)trans-131.3165.9176.8-178.90000110.5F68 Q78 S79 R81 F94F68-S70 PolarHBondContact O-N 2.98Å; S70-Q78 VanDerWaalsContact O-CA 3.31Å; S70-Q78 WeakPolarHBondContact O-CA 3.21Å; S70-S79 PolarHBondContact N-O 2.9Å; S70-S79 PolarHBondContact O-N 3.47Å; S70-S79 VanDerWaalsContact O-O 3.12Å; S70-R81 PolarHBondContact OG-NH1 2.95Å; S70-F94 VanDerWaalsContact CB-CZ 3.47Å; S70-F94 VanDerWaalsContact OG-CE1 3.24Å; S70-F94 WeakPolarHBondContact OG-CE1 3.48Å
71T89.8Confident88.9Confident9 Ų944.3 Ų44.36%0.05525%0.245CC..EExtended strand (participates in β ladder)trans-117.3157.4-17445.60000110.7S77 Q78 F95 R351T71-S77 CarbonylContact C-O 3.55Å; T71-S77 VanDerWaalsContact CA-O 3.3Å; T71-S77 WeakPolarHBondContact CA-O 3.17Å; T71-Q78 HydrophobicContact CG2-CG 3.67Å; T71-F95 WeakPolarHBondContact O-CE1 3.45Å; T71-R351 PolarHBondContact OG1-NE 2.6Å; T71-R351 PolarHBondContact OG1-NH1 3.37Å; T71-R351 VanDerWaalsContact OG1-NH1 3.09Å; T71-R351 PolarHBondContact OG1-NH2 3.18Å; T71-R351 VanDerWaalsContact OG1-NH2 3.07Å
72C90.6Very high89.6Confident1 Ų146 Ų461%0.00724%0.238CC..  trans-68171.2176.673.30000112.6G74 G75 H76 S77 F101 C103 C104C72-G74 PolarHBondContact O-N 3Å; C72-G75 PolarHBondContact O-N 3.03Å; C72-G75 PolarHBondContact SG-N 3.39Å; C72-H76 PolarHBondContact SG-N 2.87Å; C72-S77 PolarHBondContact N-O 2.95Å; C72-S77 PolarHBondContact SG-N 2.97Å; C72-S77 VanDerWaalsContact SG-N 3.41Å; C72-F101 HydrophobicContact CB-CB 3.86Å; C72-F101 HydrophobicContact CB-CD1 3.43Å; C72-F101 VanDerWaalsContact CB-CD1 3.43Å; C72-F101 HydrophobicContact CB-CD2 3.75Å; C72-F101 HydrophobicContact CB-CE1 3.77Å; C72-F101 HydrophobicContact CB-CE2 4.07Å; C72-F101 HydrophobicContact CB-CG 3.39Å; C72-F101 HydrophobicContact CB-CZ 4.07Å; C72-C103 PolarHBondContact SG-SG 2.98Å; C72-C104 VanDerWaalsContact CB-SG 3.56Å; C72-C104 PolarHBondContact SG-SG 3.44Å
73N89.7Confident89.8Confident0 Ų042 Ų420%022%0.22CC..THydrogen-bonded Turntrans-52.6-41.7177.9-69.2-45.3000113G75 F95 E96 A225 V227 R395N73-G75 VanDerWaalsContact C-N 3.33Å; N73-F95 WeakPolarHBondContact OD1-CB 3.47Å; N73-E96 PolarHBondContact ND2-OE1 3.47Å; N73-A225 HydrophobicContact CB-CB 4.06Å; N73-A225 WeakPolarHBondContact OD1-CB 3.17Å; N73-V227 HydrophobicContact CB-CG2 3.7Å; N73-R395 WeakPolarHBondContact OD1-CD 3.49Å; N73-R395 PolarHBondContact OD1-NE 3.35Å
74G85.9Confident90Very high0 Ų040.5 Ų40.50%021%0.213CC..THydrogen-bonded Turntrans-87.84.2178.700000114.2C72 H76 C104 Q244 I393C72-G74 PolarHBondContact O-N 3Å; G74-H76 VanDerWaalsContact C-N 3.29Å; G74-H76 PolarHBondContact O-CE1 3.15Å; G74-H76 PolarHBondContact O-N 3.17Å; G74-H76 PolarHBondContact O-ND1 3.38Å; G74-C104 PolarHBondContact N-SG 3.09Å; G74-C104 VanDerWaalsContact N-SG 3.36Å; G74-Q244 PolarHBondContact O-NE2 3.43Å; G74-Q244 VanDerWaalsContact O-NE2 3.15Å; G74-I393 VanDerWaalsContact C-CD1 3.49Å; G74-I393 WeakPolarHBondContact O-CD1 3.49Å
75G84.7Confident90.1Very high0 Ų041.8 Ų41.80%022%0.217CC..SBendtrans70.91.417600000118.3C72 N73 Q244 P245C72-G75 PolarHBondContact O-N 3.03Å; C72-G75 PolarHBondContact SG-N 3.39Å; N73-G75 VanDerWaalsContact C-N 3.33Å; G75-Q244 PolarHBondContact O-OE1 3.4Å; G75-P245 WeakPolarHBondContact O-CD 3.37Å
76H85.7Confident90Very high45 Ų4538.6 Ų38.621%0.20821%0.206CC..SBendtrans-82.9-47.2-175.5-58.879.6000113.4C72 G74 V229 D243 Q244C72-H76 PolarHBondContact SG-N 2.87Å; G74-H76 VanDerWaalsContact C-N 3.29Å; G74-H76 PolarHBondContact O-CE1 3.15Å; G74-H76 PolarHBondContact O-N 3.17Å; G74-H76 PolarHBondContact O-ND1 3.38Å; H76-V229 WeakPolarHBondContact CE1-CG1 3.23Å; H76-V229 WeakPolarHBondContact NE2-CG1 3.45Å; H76-D243 PolarHBondContact CD2-O 2.9Å; H76-D243 VanDerWaalsContact CD2-O 3.28Å; H76-Q244 PolarHBondContact CE1-NE2 2.84Å; H76-Q244 VanDerWaalsContact CE1-NE2 3.3Å; H76-Q244 PolarHBondContact NE2-NE2 2.86Å
77S89.8Confident90Very high33 Ų3336.3 Ų36.323%0.23119%0.192CC..  trans-93.4150.6-179.1-63.80000111.3T71 C72 D100 C103T71-S77 CarbonylContact C-O 3.55Å; T71-S77 VanDerWaalsContact CA-O 3.3Å; T71-S77 WeakPolarHBondContact CA-O 3.17Å; C72-S77 PolarHBondContact N-O 2.95Å; C72-S77 PolarHBondContact SG-N 2.97Å; C72-S77 VanDerWaalsContact SG-N 3.41Å; S77-D100 WeakPolarHBondContact CB-O 3.39Å; S77-D100 PolarHBondContact OG-O 2.62Å; S77-C103 PolarHBondContact OG-SG 3.48Å; S77-C103 VanDerWaalsContact OG-SG 3.4Å
78Q91.4Very high90Very high69 Ų6937.6 Ų37.632%0.32219%0.187SC..EExtended strand (participates in β ladder)trans-121.4146.1177-67.4179.6-34.100110.5L69 S70 T71 P245 N246L69-Q78 HydrophobicContact CD1-CB 4.08Å; L69-Q78 HydrophobicContact CG-CB 4.44Å; S70-Q78 VanDerWaalsContact O-CA 3.31Å; S70-Q78 WeakPolarHBondContact O-CA 3.21Å; T71-Q78 HydrophobicContact CG2-CG 3.67Å; Q78-P245 HydrophobicContact CG-CG 3.86Å; Q78-N246 PolarHBondContact NE2-ND2 2.95Å; Q78-N246 PolarHBondContact NE2-OD1 3.19Å
79S93.2Very high90.2Very high13 Ų1336.3 Ų36.39%0.09119%0.185CC..EExtended strand (participates in β ladder)trans-150.2155.9176.1-173.50000109.6S70 R81 N98 D100S70-S79 PolarHBondContact N-O 2.9Å; S70-S79 PolarHBondContact O-N 3.47Å; S70-S79 VanDerWaalsContact O-O 3.12Å; S79-R81 PolarHBondContact O-N 2.98Å; S79-N98 VanDerWaalsContact CB-ND2 3.34Å; S79-N98 WeakPolarHBondContact CB-ND2 3.22Å; S79-N98 PolarHBondContact OG-ND2 2.61Å; S79-D100 VanDerWaalsContact CB-OD2 3.29Å; S79-D100 WeakPolarHBondContact CB-OD2 3.14Å; S79-D100 PolarHBondContact OG-OD2 3.18Å
80I94Very high90.3Very high110 Ų11031.8 Ų31.856%0.56416%0.162SC*.EExtended strand (participates in β ladder)trans-73.4124175.6-62.8173.2000107.7A67A67-I80 HydrophobicContact CB-CG2 3.76Å
81R92.6Very high90.4Very high5 Ų531 Ų312%0.01916%0.156CC..EExtended strand (participates in β ladder)trans-100120.9174-174179.7-132.4135.43.5109.3A67 F68 S70 S79 A90 F94 F95A67-R81 CarbonylContact C-O 3.37Å; A67-R81 WeakPolarHBondContact CA-O 3.41Å; A67-R81 WeakPolarHBondContact CB-O 3.46Å; F68-R81 HydrophobicContact CD2-CB 4.09Å; F68-R81 HydrophobicContact CE2-CB 3.86Å; F68-R81 HydrophobicContact CE2-CG 3.85Å; F68-R81 HydrophobicContact CZ-CB 4.31Å; F68-R81 HydrophobicContact CZ-CG 3.95Å; F68-R81 PolarHBondContact N-O 3.03Å; F68-R81 PolarHBondContact O-N 2.84Å; S70-R81 PolarHBondContact OG-NH1 2.95Å; S79-R81 PolarHBondContact O-N 2.98Å; R81-A90 PolarHBondContact NH2-O 3.44Å; R81-F94 HydrophobicContact CB-CD2 3.92Å; R81-F94 HydrophobicContact CB-CE2 3.44Å; R81-F94 VanDerWaalsContact CB-CE2 3.44Å; R81-F94 HydrophobicContact CB-CZ 3.81Å; R81-F94 HydrophobicContact CG-CD2 3.68Å; R81-F94 HydrophobicContact CG-CE2 3.76Å; R81-F94 HydrophobicContact CG-CG 4.14Å; R81-F94 HydrophobicContact CG-CZ 4.27Å; R81-F94 VanDerWaalsContact CZ-CG 3.45Å; R81-F94 VanDerWaalsContact NH2-CB 3.34Å; R81-F95 VanDerWaalsContact NH1-CZ 3.3Å; R81-F95 VanDerWaalsContact NH2-CZ 3.3Å
82H92.4Very high90.5Very high120 Ų12033.4 Ų33.456%0.55616%0.164SC*.EExtended strand (participates in β ladder)trans-75.8151167.4-68.1-87.4000110.6P84H82-P84 WeakPolarHBondContact O-CD 2.98Å
83D91.4Very high90.5Very high7 Ų734.4 Ų34.44%0.03717%0.171CC..  trans-60.3115.2176.9-169.85.5000111.9S36 C38 N40 S64 V66 F85S36-D83 WeakPolarHBondContact CB-OD1 3.44Å; S36-D83 WeakPolarHBondContact CB-OD2 3.41Å; S36-D83 PolarHBondContact OG-OD1 3.49Å; S36-D83 PolarHBondContact OG-OD2 2.59Å; C38-D83 WeakPolarHBondContact CB-OD1 3.38Å; C38-D83 PolarHBondContact SG-OD1 2.78Å; C38-D83 VanDerWaalsContact SG-OD1 3.37Å; N40-D83 WeakPolarHBondContact CB-OD2 3.25Å; N40-D83 PolarHBondContact ND2-OD2 3.43Å; S64-D83 WeakPolarHBondContact OG-CB 3.49Å; S64-D83 PolarHBondContact OG-OD2 2.78Å; V66-D83 HydrophobicContact CB-CB 4.08Å; V66-D83 WeakPolarHBondContact O-CB 3.2Å; V66-D83 PolarHBondContact O-N 2.94Å; D83-F85 WeakPolarHBondContact O-CD2 3.39Å
84P91.8Very high90.7Very high8 Ų835.5 Ų35.55%0.05218%0.176CC..  trans-78.5143.5-17330.3-33.1000112.2S36 M37 H82 S89 A90 F398S36-P84 WeakPolarHBondContact CB-O 3.01Å; M37-P84 HydrophobicContact CB-CG 4.34Å; M37-P84 WeakPolarHBondContact CB-O 3.49Å; M37-P84 WeakPolarHBondContact CG-O 3.34Å; M37-P84 PolarHBondContact N-O 3.03Å; H82-P84 WeakPolarHBondContact O-CD 2.98Å; P84-S89 WeakPolarHBondContact CB-OG 3.24Å; P84-A90 HydrophobicContact CB-CB 3.72Å; P84-A90 HydrophobicContact CG-CB 3.59Å; P84-F398 HydrophobicContact CG-CE1 4.27Å
85F90Very high90.9Very high39 Ų3936 Ų3617%0.17118%0.178CC..SBendtrans-104.3-3175.4-76.4-98.4000113.5A34 C42 H62 D83A34-F85 HydrophobicContact CB-CD1 4.31Å; A34-F85 HydrophobicContact CB-CE1 4.21Å; C42-F85 HydrophobicContact CB-CE1 4.02Å; C42-F85 HydrophobicContact CB-CZ 4.08Å; H62-F85 HydrophobicContact CB-CB 4.27Å; H62-F85 HydrophobicContact CB-CD1 3.41Å; H62-F85 VanDerWaalsContact CB-CD1 3.41Å; H62-F85 HydrophobicContact CB-CD2 3.67Å; H62-F85 HydrophobicContact CB-CE1 3.5Å; H62-F85 HydrophobicContact CB-CE2 3.76Å; H62-F85 HydrophobicContact CB-CG 3.5Å; H62-F85 VanDerWaalsContact CB-CG 3.5Å; H62-F85 HydrophobicContact CB-CZ 3.67Å; H62-F85 AromaticContact CG-CD1 3.98Å; H62-F85 WeakPolarHBondContact O-CE2 3.29Å; D83-F85 WeakPolarHBondContact O-CD2 3.39Å
86D89.5Confident91.1Very high73 Ų7338.9 Ų38.939%0.3919%0.192SC..SBendtrans-143.7160178.570.6-78.3000110.4R88 S89 A90D86-R88 VanDerWaalsContact C-N 3.35Å; D86-R88 PolarHBondContact O-N 2.8Å; D86-R88 WeakPolarHBondContact OD2-CA 3.33Å; D86-R88 VanDerWaalsContact OD2-CB 3.28Å; D86-R88 WeakPolarHBondContact OD2-CB 3.22Å; D86-R88 PolarHBondContact OD2-N 2.85Å; D86-S89 PolarHBondContact O-OG 3Å; D86-S89 VanDerWaalsContact OD1-CB 3.22Å; D86-S89 WeakPolarHBondContact OD1-CB 3.3Å; D86-S89 PolarHBondContact OD1-OG 2.06Å; D86-S89 PolarHBondContact OD2-N 3.45Å; D86-S89 PolarHBondContact OD2-OG 2.73Å; D86-A90 VanDerWaalsContact O-CB 3.29Å; D86-A90 WeakPolarHBondContact O-CB 3.29Å; D86-A90 PolarHBondContact O-N 2.75Å
87L89.8Confident91.3Very high7 Ų742.1 Ų42.14%0.03721%0.207CC..Hα-helixtrans-70-30.5-177.3-86.5171.8000113.9M37 A90 N91 V206 F221 I399 H401M37-L87 HydrophobicContact CE-CD2 4.36Å; M37-L87 HydrophobicContact CE-CG 4.26Å; L87-A90 PolarHBondContact O-N 3.43Å; L87-N91 PolarHBondContact O-N 3.05Å; L87-V206 HydrophobicContact CB-CG1 4.29Å; L87-V206 HydrophobicContact CD1-CG1 4.19Å; L87-F221 HydrophobicContact CB-CE2 4.32Å; L87-F221 HydrophobicContact CB-CZ 3.78Å; L87-I399 HydrophobicContact CD2-CB 4.22Å; L87-I399 HydrophobicContact CD2-CG2 3.92Å; L87-H401 HydrophobicContact CD1-CB 4.18Å; L87-H401 VanDerWaalsContact CD1-CD2 3.46Å; L87-H401 WeakPolarHBondContact CD1-CD2 3.35Å; L87-H401 VanDerWaalsContact CD1-O 3.29Å; L87-H401 WeakPolarHBondContact CD1-O 3.34Å; L87-H401 HydrophobicContact CD2-CB 3.84Å; L87-H401 HydrophobicContact CG-CB 4.23Å
88R91.4Very high91.3Very high77 Ų7741.7 Ų41.729%0.29120%0.202SC..Hα-helixtrans-68-48.6-178.8178.5-177.6-90.4-82.90.5109.1D86 A90 Y92 S93 E220 F221D86-R88 VanDerWaalsContact C-N 3.35Å; D86-R88 PolarHBondContact O-N 2.8Å; D86-R88 WeakPolarHBondContact OD2-CA 3.33Å; D86-R88 VanDerWaalsContact OD2-CB 3.28Å; D86-R88 WeakPolarHBondContact OD2-CB 3.22Å; D86-R88 PolarHBondContact OD2-N 2.85Å; R88-A90 VanDerWaalsContact C-N 3.32Å; R88-A90 PolarHBondContact O-N 3.47Å; R88-Y92 HydrophobicContact CG-CD1 4.3Å; R88-Y92 CarbonylContact O-C 3.52Å; R88-Y92 WeakPolarHBondContact O-CA 3.34Å; R88-Y92 WeakPolarHBondContact O-CB 3.35Å; R88-Y92 PolarHBondContact O-N 2.82Å; R88-S93 WeakPolarHBondContact CG-OG 3.39Å; R88-S93 PolarHBondContact O-N 3.42Å; R88-E220 IonicContact CZ-OE1 3.38Å; R88-E220 IonicContact NE-OE1 3.46Å; R88-E220 PolarHBondContact NE-OE1 2.95Å; R88-E220 IonicContact NH2-OE1 3.99Å; R88-E220 PolarHBondContact NH2-OE1 3.24Å; R88-F221 VanDerWaalsContact CA-CZ 3.42Å; R88-F221 HydrophobicContact CB-CD1 3.91Å; R88-F221 HydrophobicContact CB-CE1 3.53Å; R88-F221 HydrophobicContact CB-CE2 4.34Å; R88-F221 HydrophobicContact CB-CG 4.47Å; R88-F221 HydrophobicContact CB-CZ 3.77Å; R88-F221 HydrophobicContact CG-CD1 3.98Å; R88-F221 HydrophobicContact CG-CE1 4.14Å; R88-F221 HydrophobicContact CG-CG 4.35Å; R88-F221 VanDerWaalsContact N-CZ 3.35Å
89S91.3Very high91.2Very high34 Ų3443 Ų4324%0.23822%0.216CC..Iπ-helixtrans-62.6-39.4173.4660000112P84 D86 F94P84-S89 WeakPolarHBondContact CB-OG 3.24Å; D86-S89 PolarHBondContact O-OG 3Å; D86-S89 VanDerWaalsContact OD1-CB 3.22Å; D86-S89 WeakPolarHBondContact OD1-CB 3.3Å; D86-S89 PolarHBondContact OD1-OG 2.06Å; D86-S89 PolarHBondContact OD2-N 3.45Å; D86-S89 PolarHBondContact OD2-OG 2.73Å; S89-F94 WeakPolarHBondContact O-CB 3.45Å
90A91.4Very high91.1Very high0 Ų046.6 Ų46.60%024%0.235CC..Iπ-helixtrans-64.7-44.4179.100000113.8R81 P84 D86 L87 R88 I399R81-A90 PolarHBondContact NH2-O 3.44Å; P84-A90 HydrophobicContact CB-CB 3.72Å; P84-A90 HydrophobicContact CG-CB 3.59Å; D86-A90 VanDerWaalsContact O-CB 3.29Å; D86-A90 WeakPolarHBondContact O-CB 3.29Å; D86-A90 PolarHBondContact O-N 2.75Å; L87-A90 PolarHBondContact O-N 3.43Å; R88-A90 VanDerWaalsContact C-N 3.32Å; R88-A90 PolarHBondContact O-N 3.47Å; A90-I399 HydrophobicContact CB-CB 4.08Å; A90-I399 HydrophobicContact CB-CG1 3.75Å
91N92.1Very high90.9Very high0 Ų041.5 Ų41.50%021%0.209CC..Iπ-helixtrans-115.7-12.9-168.5-72.7-25.7000115.2L87 F95 R395 F398 I399L87-N91 PolarHBondContact O-N 3.05Å; N91-F95 WeakPolarHBondContact O-CD2 3.41Å; N91-R395 PolarHBondContact O-NH2 3.37Å; N91-R395 VanDerWaalsContact O-NH2 3.12Å; N91-F398 WeakPolarHBondContact OD1-CA 3.49Å; N91-F398 PolarHBondContact OD1-N 3.46Å; N91-I399 PolarHBondContact ND2-O 3.31Å; N91-I399 PolarHBondContact OD1-N 3.28Å
92Y91.9Very high90.4Very high61 Ų6143.5 Ų43.524%0.23923%0.226CC..Iπ-helixtrans-126.7-68.6-173.7-179-98.9000113.1R88 F94 F95 E96 F221 P222R88-Y92 HydrophobicContact CG-CD1 4.3Å; R88-Y92 CarbonylContact O-C 3.52Å; R88-Y92 WeakPolarHBondContact O-CA 3.34Å; R88-Y92 WeakPolarHBondContact O-CB 3.35Å; R88-Y92 PolarHBondContact O-N 2.82Å; Y92-F94 VanDerWaalsContact C-N 3.28Å; Y92-F94 PolarHBondContact O-N 3.2Å; Y92-F95 WeakPolarHBondContact O-CA 3.33Å; Y92-F95 PolarHBondContact O-N 3.21Å; Y92-E96 HydrophobicContact CD2-CG 3.8Å; Y92-E96 HydrophobicContact CE1-CB 4.27Å; Y92-E96 HydrophobicContact CE1-CG 4.48Å; Y92-E96 HydrophobicContact CE2-CB 4.14Å; Y92-E96 HydrophobicContact CE2-CG 3.49Å; Y92-E96 VanDerWaalsContact CE2-CG 3.49Å; Y92-E96 HydrophobicContact CG-CG 4.45Å; Y92-E96 PolarHBondContact O-N 3.39Å; Y92-F221 HydrophobicContact CD1-CB 4.21Å; Y92-F221 HydrophobicContact CD2-CB 3.91Å; Y92-F221 HydrophobicContact CE2-CB 4.43Å; Y92-F221 HydrophobicContact CG-CB 3.77Å; Y92-F221 HydrophobicContact CG-CD2 4.37Å; Y92-F221 HydrophobicContact CG-CG 4.29Å; Y92-P222 HydrophobicContact CD2-CG 3.71Å; Y92-P222 HydrophobicContact CE2-CG 3.64Å
93S91.7Very high89.8Confident21 Ų2139.4 Ų39.415%0.14721%0.21CC..Iπ-helixtrans-61.1-36.3-168.4-60.50000112.3R88 F95 E97 N98R88-S93 WeakPolarHBondContact CG-OG 3.39Å; R88-S93 PolarHBondContact O-N 3.42Å; S93-F95 PolarHBondContact O-N 3.49Å; S93-E97 VanDerWaalsContact CB-CD 3.48Å; S93-E97 WeakPolarHBondContact CB-OE1 3.27Å; S93-E97 WeakPolarHBondContact O-CA 3.39Å; S93-E97 WeakPolarHBondContact O-CB 3.04Å; S93-E97 PolarHBondContact O-N 3.01Å; S93-E97 VanDerWaalsContact OG-CD 3.29Å; S93-E97 PolarHBondContact OG-OE1 3.28Å; S93-E97 PolarHBondContact OG-OE2 3.48Å; S93-N98 PolarHBondContact O-N 2.93Å
94F93Very high88.9Confident23 Ų2339.2 Ų39.210%0.10121%0.209CC..Hα-helixtrans-57.6-34.4173.1175.4-94.7000113.4S70 R81 S89 Y92 N98 F101S70-F94 VanDerWaalsContact CB-CZ 3.47Å; S70-F94 VanDerWaalsContact OG-CE1 3.24Å; S70-F94 WeakPolarHBondContact OG-CE1 3.48Å; R81-F94 HydrophobicContact CB-CD2 3.92Å; R81-F94 HydrophobicContact CB-CE2 3.44Å; R81-F94 VanDerWaalsContact CB-CE2 3.44Å; R81-F94 HydrophobicContact CB-CZ 3.81Å; R81-F94 HydrophobicContact CG-CD2 3.68Å; R81-F94 HydrophobicContact CG-CE2 3.76Å; R81-F94 HydrophobicContact CG-CG 4.14Å; R81-F94 HydrophobicContact CG-CZ 4.27Å; R81-F94 VanDerWaalsContact CZ-CG 3.45Å; R81-F94 VanDerWaalsContact NH2-CB 3.34Å; S89-F94 WeakPolarHBondContact O-CB 3.45Å; Y92-F94 VanDerWaalsContact C-N 3.28Å; Y92-F94 PolarHBondContact O-N 3.2Å; F94-N98 WeakPolarHBondContact O-CB 3.21Å; F94-F101 AromaticContact CD1-CE2 3.92Å; F94-F101 HydrophobicContact CD1-CE2 3.92Å; F94-F101 AromaticContact CE1-CE2 3.41Å; F94-F101 HydrophobicContact CE1-CE2 3.41Å; F94-F101 VanDerWaalsContact CE1-CE2 3.41Å; F94-F101 AromaticContact CE1-CZ 3.6Å; F94-F101 HydrophobicContact CE1-CZ 3.6Å; F94-F101 HydrophobicContact CE2-CE2 4.42Å; F94-F101 HydrophobicContact CE2-CZ 4.41Å; F94-F101 AromaticContact CZ-CE2 3.69Å; F94-F101 HydrophobicContact CZ-CE2 3.69Å; F94-F101 AromaticContact CZ-CZ 3.52Å; F94-F101 HydrophobicContact CZ-CZ 3.52Å; F94-F101 WeakPolarHBondContact O-CD2 3.31Å; F94-F101 WeakPolarHBondContact O-CE2 3.29Å
95F90.4Very high87.7Confident11 Ų1144.6 Ų44.65%0.04823%0.229CC..Hα-helixtrans-91.2-38.3-176.3-62.7-73.4000112.9T71 N73 R81 N91 Y92 S93 F101 R395T71-F95 WeakPolarHBondContact O-CE1 3.45Å; N73-F95 WeakPolarHBondContact OD1-CB 3.47Å; R81-F95 VanDerWaalsContact NH1-CZ 3.3Å; R81-F95 VanDerWaalsContact NH2-CZ 3.3Å; N91-F95 WeakPolarHBondContact O-CD2 3.41Å; Y92-F95 WeakPolarHBondContact O-CA 3.33Å; Y92-F95 PolarHBondContact O-N 3.21Å; S93-F95 PolarHBondContact O-N 3.49Å; F95-F101 HydrophobicContact CD1-CE2 4.41Å; F95-R395 VanDerWaalsContact CE1-CD 3.49Å; F95-R395 VanDerWaalsContact CZ-CD 3.48Å
96E88.3Confident86.3Confident61 Ų6150.2 Ų50.229%0.28525%0.253SS..Hα-helixtrans-93.7-36.7-173.6-62.8-55.8142.600113.4N73 Y92N73-E96 PolarHBondContact ND2-OE1 3.47Å; Y92-E96 HydrophobicContact CD2-CG 3.8Å; Y92-E96 HydrophobicContact CE1-CB 4.27Å; Y92-E96 HydrophobicContact CE1-CG 4.48Å; Y92-E96 HydrophobicContact CE2-CB 4.14Å; Y92-E96 HydrophobicContact CE2-CG 3.49Å; Y92-E96 VanDerWaalsContact CE2-CG 3.49Å; Y92-E96 HydrophobicContact CG-CG 4.45Å; Y92-E96 PolarHBondContact O-N 3.39Å
97E89.1Confident84.7Confident113 Ų11348.2 Ų48.253%0.52825%0.245SC..THydrogen-bonded Turntrans-96-14.9-173-60.9166.7-145.800112.6S93 P99S93-E97 VanDerWaalsContact CB-CD 3.48Å; S93-E97 WeakPolarHBondContact CB-OE1 3.27Å; S93-E97 WeakPolarHBondContact O-CA 3.39Å; S93-E97 WeakPolarHBondContact O-CB 3.04Å; S93-E97 PolarHBondContact O-N 3.01Å; S93-E97 VanDerWaalsContact OG-CD 3.29Å; S93-E97 PolarHBondContact OG-OE1 3.28Å; S93-E97 PolarHBondContact OG-OE2 3.48Å; E97-P99 WeakPolarHBondContact O-CD 3.36Å
98N90.4Very high82.9Confident23 Ų2349.1 Ų49.112%0.12325%0.25CC..  trans-67.3121.5-179-172.7-21.8000111.7S79 S93 F94 D100 F101S79-N98 VanDerWaalsContact CB-ND2 3.34Å; S79-N98 WeakPolarHBondContact CB-ND2 3.22Å; S79-N98 PolarHBondContact OG-ND2 2.61Å; S93-N98 PolarHBondContact O-N 2.93Å; F94-N98 WeakPolarHBondContact O-CB 3.21Å; N98-D100 VanDerWaalsContact C-N 3.25Å; N98-D100 PolarHBondContact O-N 2.92Å; N98-D100 WeakPolarHBondContact OD1-CB 3.49Å; N98-D100 PolarHBondContact OD1-N 2.84Å; N98-F101 HydrophobicContact CB-CD2 3.87Å; N98-F101 HydrophobicContact CB-CE2 4.25Å; N98-F101 HydrophobicContact CB-CG 4.34Å; N98-F101 PolarHBondContact O-N 3.22Å
99P90.3Very high80.7Confident96 Ų9654.4 Ų54.462%0.62327%0.27SS*.G310 helixtrans-64.5-25.5-17826.5-35.7000114E97 F101E97-P99 WeakPolarHBondContact O-CD 3.36Å; P99-F101 PolarHBondContact O-N 2.71Å
100D90.1Very high78.2Confident90 Ų9055.9 Ų55.948%0.48129%0.29SS..G310 helixtrans-66.7-18.9179-63.6-26.5000112.2S77 S79 N98 A102S77-D100 WeakPolarHBondContact CB-O 3.39Å; S77-D100 PolarHBondContact OG-O 2.62Å; S79-D100 VanDerWaalsContact CB-OD2 3.29Å; S79-D100 WeakPolarHBondContact CB-OD2 3.14Å; S79-D100 PolarHBondContact OG-OD2 3.18Å; N98-D100 VanDerWaalsContact C-N 3.25Å; N98-D100 PolarHBondContact O-N 2.92Å; N98-D100 WeakPolarHBondContact OD1-CB 3.49Å; N98-D100 PolarHBondContact OD1-N 2.84Å; D100-A102 VanDerWaalsContact C-N 3.32Å; D100-A102 PolarHBondContact O-N 3.4Å
101F90Very high75.8Confident3 Ų360.8 Ų60.81%0.01331%0.313CS..G310 helixtrans-96.136.4-175.6-61.4-16.8000113.4C72 F94 F95 N98 P99 C103 C104C72-F101 HydrophobicContact CB-CB 3.86Å; C72-F101 HydrophobicContact CB-CD1 3.43Å; C72-F101 VanDerWaalsContact CB-CD1 3.43Å; C72-F101 HydrophobicContact CB-CD2 3.75Å; C72-F101 HydrophobicContact CB-CE1 3.77Å; C72-F101 HydrophobicContact CB-CE2 4.07Å; C72-F101 HydrophobicContact CB-CG 3.39Å; C72-F101 HydrophobicContact CB-CZ 4.07Å; F94-F101 AromaticContact CD1-CE2 3.92Å; F94-F101 HydrophobicContact CD1-CE2 3.92Å; F94-F101 AromaticContact CE1-CE2 3.41Å; F94-F101 HydrophobicContact CE1-CE2 3.41Å; F94-F101 VanDerWaalsContact CE1-CE2 3.41Å; F94-F101 AromaticContact CE1-CZ 3.6Å; F94-F101 HydrophobicContact CE1-CZ 3.6Å; F94-F101 HydrophobicContact CE2-CE2 4.42Å; F94-F101 HydrophobicContact CE2-CZ 4.41Å; F94-F101 AromaticContact CZ-CE2 3.69Å; F94-F101 HydrophobicContact CZ-CE2 3.69Å; F94-F101 AromaticContact CZ-CZ 3.52Å; F94-F101 HydrophobicContact CZ-CZ 3.52Å; F94-F101 WeakPolarHBondContact O-CD2 3.31Å; F94-F101 WeakPolarHBondContact O-CE2 3.29Å; F95-F101 HydrophobicContact CD1-CE2 4.41Å; N98-F101 HydrophobicContact CB-CD2 3.87Å; N98-F101 HydrophobicContact CB-CE2 4.25Å; N98-F101 HydrophobicContact CB-CG 4.34Å; N98-F101 PolarHBondContact O-N 3.22Å; P99-F101 PolarHBondContact O-N 2.71Å; F101-C103 PolarHBondContact O-N 2.86Å; F101-C104 PolarHBondContact O-N 3.46Å
102A81.5Confident72.8Confident46 Ų4668 Ų6838%0.3835%0.351SS..Hα-helixtrans-53.8-29.1176.600000113.7D100 C104 R105 F106D100-A102 VanDerWaalsContact C-N 3.32Å; D100-A102 PolarHBondContact O-N 3.4Å; A102-C104 VanDerWaalsContact C-N 3.32Å; A102-C104 PolarHBondContact O-N 3.06Å; A102-R105 PolarHBondContact O-N 2.8Å; A102-F106 WeakPolarHBondContact O-CD2 3.44Å
103C79.6Confident70Confident34 Ų3473.9 Ų73.923%0.2338%0.375CS..Hα-helixtrans-62.3-35.117865.70000113.4C72 S77 F101 R105 F106 C107C72-C103 PolarHBondContact SG-SG 2.98Å; S77-C103 PolarHBondContact OG-SG 3.48Å; S77-C103 VanDerWaalsContact OG-SG 3.4Å; F101-C103 PolarHBondContact O-N 2.86Å; C103-R105 VanDerWaalsContact C-N 3.32Å; C103-R105 PolarHBondContact O-N 3.06Å; C103-F106 PolarHBondContact O-N 2.89Å; C103-C107 PolarHBondContact O-N 2.87Å; C103-C107 PolarHBondContact O-SG 2.99Å
104C72.7Confident66.8Low3 Ų376.2 Ų76.22%0.0239%0.391CS..Hα-helixtrans-72.3-27.8-177-75.70000112.5C72 G74 F101 A102 F106 C107 N108C72-C104 VanDerWaalsContact CB-SG 3.56Å; C72-C104 PolarHBondContact SG-SG 3.44Å; G74-C104 PolarHBondContact N-SG 3.09Å; G74-C104 VanDerWaalsContact N-SG 3.36Å; F101-C104 PolarHBondContact O-N 3.46Å; A102-C104 VanDerWaalsContact C-N 3.32Å; A102-C104 PolarHBondContact O-N 3.06Å; C104-F106 PolarHBondContact O-N 3.5Å; C104-C107 PolarHBondContact O-N 3.3Å; C104-N108 WeakPolarHBondContact O-CB 3.3Å; C104-N108 PolarHBondContact O-N 3.07Å
105R68.4Low63.6Low122 Ų12280.8 Ų80.846%0.4643%0.426SS..Hα-helixtrans-62.2-27.3177.1-63.1-175.7-175150.72.6112.8A102 C103 R109A102-R105 PolarHBondContact O-N 2.8Å; C103-R105 VanDerWaalsContact C-N 3.32Å; C103-R105 PolarHBondContact O-N 3.06Å; R105-R109 VanDerWaalsContact O-CD 3.31Å; R105-R109 WeakPolarHBondContact O-CD 3.24Å; R105-R109 VanDerWaalsContact O-CG 3.25Å; R105-R109 WeakPolarHBondContact O-CG 3.34Å
106F60.4Low60.6Low156 Ų15683.8 Ų83.868%0.68445%0.448SS*.Hα-helixtrans-87.7-37.5175.6-63.3-76.7000112.5A102 C103 C104A102-F106 WeakPolarHBondContact O-CD2 3.44Å; C103-F106 PolarHBondContact O-N 2.89Å; C104-F106 PolarHBondContact O-N 3.5Å
107C56Low57.8Low31 Ų3184.5 Ų84.521%0.20945%0.453CS..Hα-helixtrans-68.9-37.1179.6-63.70000112.8C103 C104 R109 V227C103-C107 PolarHBondContact O-N 2.87Å; C103-C107 PolarHBondContact O-SG 2.99Å; C104-C107 PolarHBondContact O-N 3.3Å; C107-R109 VanDerWaalsContact C-N 3.34Å; C107-V227 HydrophobicContact CB-CG1 3.5Å
108N51.9Low54.8Low26 Ų2685.3 Ų85.314%0.13946%0.46CS..G310 helixtrans-74.8-23.5-179.3-69.6-4.9000112.6C104 G110 Q111C104-N108 WeakPolarHBondContact O-CB 3.3Å; C104-N108 PolarHBondContact O-N 3.07Å; N108-G110 VanDerWaalsContact C-N 3.25Å; N108-G110 PolarHBondContact O-N 3.09Å; N108-Q111 PolarHBondContact O-N 2.84Å
109R44.6Very low51.8Low189 Ų18987.8 Ų87.871%0.71348%0.479SS*.G310 helixtrans-72.9-12.3179.8-79.9178-177.3177.30.9114.6R105 C107 Q111R105-R109 VanDerWaalsContact O-CD 3.31Å; R105-R109 WeakPolarHBondContact O-CD 3.24Å; R105-R109 VanDerWaalsContact O-CG 3.25Å; R105-R109 WeakPolarHBondContact O-CG 3.34Å; C107-R109 VanDerWaalsContact C-N 3.34Å; R109-Q111 PolarHBondContact O-N 3Å
110G38.3Very low48.8Very low65 Ų6588 Ų8867%0.6747%0.474SS*.G310 helixtrans-70.8-9.3176.500000113.9N108N108-G110 VanDerWaalsContact C-N 3.25Å; N108-G110 PolarHBondContact O-N 3.09Å
111Q41Very low45.8Very low103 Ų10388.6 Ų88.648%0.48148%0.477SS..SBendtrans-116.9110.7169.9-71.4178.7-3600106.8N108 R109 Y113N108-Q111 PolarHBondContact O-N 2.84Å; R109-Q111 PolarHBondContact O-N 3Å; Q111-Y113 PolarHBondContact O-N 3.06Å
112D28.5Very low42.8Very low150 Ų15092.7 Ų92.780%0.80250%0.495SS*.  trans-48.9111.6161.9-70.3-51.2000107.2S114D112-S114 PolarHBondContact O-N 2.73Å
113Y33.2Very low40Very low185 Ų18599.4 Ų99.473%0.72551%0.512SS*.  trans-66.772.8158.5-86.2-92.6000105.9Q111 S115Q111-Y113 PolarHBondContact O-N 3.06Å; Y113-S115 PolarHBondContact O-N 3.05Å; Y113-S115 VanDerWaalsContact O-N 3.1Å
114S25.1Very low37.2Very low70 Ų70103 Ų10349%0.4953%0.533SS..  trans-54.8121.8156.8-171.40000104.9D112 S116 I117D112-S114 PolarHBondContact O-N 2.73Å; S114-S116 CarbonylContact O-C 3.57Å; S114-S116 PolarHBondContact O-N 3.02Å; S114-S116 PolarHBondContact OG-OG 3.23Å; S114-I117 PolarHBondContact O-N 3.26Å
115S26.8Very low34.8Very low119 Ų119108.3 Ų108.383%0.83257%0.565SS**SBendtrans-65.2-1.1-179.8-48.30000112.5Y113 I117Y113-S115 PolarHBondContact O-N 3.05Å; Y113-S115 VanDerWaalsContact O-N 3.1Å; S115-I117 VanDerWaalsContact C-N 3.27Å; S115-I117 PolarHBondContact O-N 3.45Å
116S26.7Very low32.5Very low75 Ų75113.5 Ų113.552%0.52458%0.584SS.*  trans-75.283.1142.834.10000107.8S114 I118S114-S116 CarbonylContact O-C 3.57Å; S114-S116 PolarHBondContact O-N 3.02Å; S114-S116 PolarHBondContact OG-OG 3.23Å; S116-I118 PolarHBondContact O-N 2.99Å
117I28.4Very low30.7Very low75 Ų75112.1 Ų112.139%0.38558%0.583SS.*  -4.586.799.9-54.9-178.3000106.5S114 S115 S119 L120 Q218S114-I117 PolarHBondContact O-N 3.26Å; S115-I117 VanDerWaalsContact C-N 3.27Å; S115-I117 PolarHBondContact O-N 3.45Å; I117-S119 WeakPolarHBondContact O-CA 3.35Å; I117-S119 PolarHBondContact O-N 2.8Å; I117-L120 HydrophobicContact CG2-CB 4.49Å; I117-L120 HydrophobicContact CG2-CD1 4.39Å; I117-Q218 VanDerWaalsContact CD1-CD 3.44Å; I117-Q218 HydrophobicContact CD1-CG 4.47Å
118I27.4Very low29.1Very low131 Ų131114.2 Ų114.267%0.67260%0.603SS**  trans-45.1108.3156.7-71.3167.4000100.3S116 L120 L187S116-I118 PolarHBondContact O-N 2.99Å; I118-L120 VanDerWaalsContact C-N 3.31Å; I118-L120 PolarHBondContact O-N 2.9Å; I118-L187 HydrophobicContact CD1-CD2 3.92Å
119S26.3Very low27.7Very low75 Ų75122.1 Ų122.152%0.52464%0.639SS.*  trans-40.8112.1-168.8-54.60000103.6I117 N121I117-S119 WeakPolarHBondContact O-CA 3.35Å; I117-S119 PolarHBondContact O-N 2.8Å; S119-N121 PolarHBondContact O-N 3.34Å
120L28.9Very low26.7Very low100 Ų100121.3 Ų121.352%0.52464%0.643SS.*  trans-66.157.8160.4-88.5151.4000103.8I117 I118 F122I117-L120 HydrophobicContact CG2-CB 4.49Å; I117-L120 HydrophobicContact CG2-CD1 4.39Å; I118-L120 VanDerWaalsContact C-N 3.31Å; I118-L120 PolarHBondContact O-N 2.9Å; L120-F122 HydrophobicContact CB-CD2 4.37Å; L120-F122 HydrophobicContact CD2-CE2 4.4Å; L120-F122 PolarHBondContact O-N 2.88Å
121N26.2Very low26Very low102 Ų102123.5 Ų123.555%0.54565%0.648SS.*  trans-54.986.5143.2-70.6-13.7000101.3S119 Y123S119-N121 PolarHBondContact O-N 3.34Å; N121-Y123 HydrophobicContact CB-CD2 3.61Å; N121-Y123 HydrophobicContact CB-CE2 3.58Å; N121-Y123 PolarHBondContact O-N 3Å
122F26.9Very low25.4Very low89 Ų89125.5 Ų125.539%0.3966%0.662SS.*  trans-47.167.7145.4-90-99.4000107L120 V124 M380L120-F122 HydrophobicContact CB-CD2 4.37Å; L120-F122 HydrophobicContact CD2-CE2 4.4Å; L120-F122 PolarHBondContact O-N 2.88Å; F122-V124 PolarHBondContact O-N 2.89Å; F122-M380 HydrophobicContact CE1-CE 4.16Å
123Y22.3Very low25.3Very low187 Ų187126.6 Ų126.673%0.73366%0.662SS**  trans-6789.9142.1-70.6-75.7000102.2N121 V125N121-Y123 HydrophobicContact CB-CD2 3.61Å; N121-Y123 HydrophobicContact CB-CE2 3.58Å; N121-Y123 PolarHBondContact O-N 3Å; Y123-V125 PolarHBondContact O-N 3.02Å
124V22.3Very low24.9Very low111 Ų111123.8 Ų123.867%0.67367%0.667SS**  trans-37.797.3140.5175.50000103.9F122 R126F122-V124 PolarHBondContact O-N 2.89Å; V124-R126 PolarHBondContact O-N 2.82Å
125V21.3Very low25Very low113 Ų113127.8 Ų127.869%0.68568%0.683SS**  trans-50.7109.7159.5172.20000101.1Y123 I127Y123-V125 PolarHBondContact O-N 3.02Å; V125-I127 PolarHBondContact O-N 3.2Å
126R20.2Very low25.1Very low231 Ų231128 Ų12887%0.87268%0.679SS**  trans-54.193.6168.8-71.9-105.6-167.3176.62.7103.1V124 A128V124-R126 PolarHBondContact O-N 2.82Å; R126-A128 PolarHBondContact O-N 2.98Å
127I22.8Very low25.3Very low127 Ų127129.2 Ų129.265%0.65169%0.688SS**  trans-6597.8165.7-63.3-178000101V125 Q129V125-I127 PolarHBondContact O-N 3.2Å; I127-Q129 PolarHBondContact O-N 3.39Å
128A21.9Very low25.6Very low76 Ų76131.8 Ų131.863%0.62871%0.707SS**  trans-43.6126.4165.800000105R126 E130R126-A128 PolarHBondContact O-N 2.98Å; A128-E130 PolarHBondContact O-N 2.86Å
129Q21.9Very low25.9Very low192 Ų192130 Ų13090%0.89770%0.704SS**  trans-56.394.5170.3-70.8176.4-47.600106.3I127 S131I127-Q129 PolarHBondContact O-N 3.39Å; Q129-S131 VanDerWaalsContact C-N 3.25Å; Q129-S131 PolarHBondContact O-N 2.95Å
130E24Very low26.5Very low172 Ų172132.6 Ų132.680%0.80471%0.71SS**  trans-65.3102.3159.3-93178.3164.400104.6A128 D132A128-E130 PolarHBondContact O-N 2.86Å; E130-D132 PolarHBondContact O-N 2.61Å
131S24Very low26.7Very low111 Ų111135 Ų13578%0.77672%0.719SS**  trans-69.865.2171.4600000108.9Q129Q129-S131 VanDerWaalsContact C-N 3.25Å; Q129-S131 PolarHBondContact O-N 2.95Å
132D28.8Very low27.3Very low144 Ų144134.6 Ų134.677%0.7772%0.724SS**  trans-93.8110.4169.3-90.8-13000108.9E130E130-D132 PolarHBondContact O-N 2.61Å
133Q25.3Very low27.7Very low173 Ų173134.9 Ų134.981%0.80873%0.733SS**  trans-50.6145171-71.3-109.7-33.900110.4N135Q133-N135 PolarHBondContact O-N 3.3Å
134P25.7Very low28.4Very low126 Ų126129 Ų12982%0.81871%0.714SS**  trans-70.394.7-173.129.4-33.9000110V136P134-V136 PolarHBondContact O-N 3.19Å
135N26.9Very low29.1Very low155 Ų155126.1 Ų126.183%0.82970%0.698SS**  trans-86.694.7175-140-6.4000109Q133 S137Q133-N135 PolarHBondContact O-N 3.3Å; N135-S137 PolarHBondContact O-N 3.47Å
136V28.6Very low29.7Very low122 Ų122124 Ų12474%0.73969%0.693SS**  trans26.993.8154.1-170.20000114.8P134 T138P134-V136 PolarHBondContact O-N 3.19Å; V136-T138 PolarHBondContact O-N 3.26Å
137S32.3Very low30.2Very low102 Ų102116.4 Ų116.471%0.71367%0.668SS**  trans-42.6119.7164.848.70000112.1N135 P139N135-S137 PolarHBondContact O-N 3.47Å; S137-P139 WeakPolarHBondContact O-CD 3.35Å
138T32.9Very low30.6Very low129 Ų129114.2 Ų114.279%0.79166%0.664SS**  trans-68.3124.2153.345.60000107V136 I140V136-T138 PolarHBondContact O-N 3.26Å; T138-I140 PolarHBondContact O-N 3.27Å
139P33.9Very low31Very low93 Ų93120.1 Ų120.160%0.60467%0.67SS**  trans-65.8123.7-173.5-21.833.1000111.3S137 E141 S142S137-P139 WeakPolarHBondContact O-CD 3.35Å; P139-E141 PolarHBondContact O-N 3.42Å; P139-S142 PolarHBondContact O-N 3.27Å
140I38.8Very low31.3Very low129 Ų129114.7 Ų114.766%0.66265%0.653SS**THydrogen-bonded Turntrans-41.5-23.9173.7-81.5167.4000114.1T138 S142 V143 I144T138-I140 PolarHBondContact O-N 3.27Å; I140-S142 PolarHBondContact O-N 2.8Å; I140-V143 PolarHBondContact O-N 2.99Å; I140-I144 HydrophobicContact CG2-CD1 3.44Å; I140-I144 VanDerWaalsContact CG2-CD1 3.44Å; I140-I144 HydrophobicContact CG2-CG1 4.05Å; I140-I144 PolarHBondContact O-N 3.4Å
141E34.4Very low31.3Very low150 Ų150110.9 Ų110.970%0.70165%0.645SS**Hα-helixtrans-58-27.7175.6-85-176.3145.700114.6P139 S145P139-E141 PolarHBondContact O-N 3.42Å; E141-S145 WeakPolarHBondContact O-CB 3.28Å; E141-S145 PolarHBondContact O-N 3.36Å; E141-S145 PolarHBondContact O-OG 3.49Å
142S39.1Very low31.3Very low94 Ų94111.6 Ų111.666%0.65765%0.65SS**Hα-helixtrans-65-44.2178.6-1770000111.9P139 I140 A146P139-S142 PolarHBondContact O-N 3.27Å; I140-S142 PolarHBondContact O-N 2.8Å; S142-A146 PolarHBondContact O-N 3.06Å
143V35.4Very low31.3Very low95 Ų95110.5 Ų110.558%0.57665%0.654SS**Hα-helixtrans-73.8-43.3-178.2-176.40000110.4I140 S145 A146 I147I140-V143 PolarHBondContact O-N 2.99Å; V143-S145 PolarHBondContact O-N 3.06Å; V143-A146 PolarHBondContact O-N 3.36Å; V143-I147 HydrophobicContact CG1-CD1 4.05Å; V143-I147 WeakPolarHBondContact O-CD1 3.29Å; V143-I147 VanDerWaalsContact O-CG1 3.3Å; V143-I147 WeakPolarHBondContact O-CG1 3.4Å; V143-I147 PolarHBondContact O-N 2.96Å
144I35.2Very low31.3Very low65 Ų65111.7 Ų111.733%0.33366%0.66SS.*Hα-helixtrans-65-39.3179.6-60.8178.3000111.4I140 A146 I147 C148I140-I144 HydrophobicContact CG2-CD1 3.44Å; I140-I144 VanDerWaalsContact CG2-CD1 3.44Å; I140-I144 HydrophobicContact CG2-CG1 4.05Å; I140-I144 PolarHBondContact O-N 3.4Å; I144-A146 VanDerWaalsContact C-N 3.33Å; I144-A146 PolarHBondContact O-N 3.44Å; I144-I147 PolarHBondContact O-N 2.71Å; I144-C148 PolarHBondContact O-N 3.38Å
145S38.7Very low31.2Very low50 Ų50109.4 Ų109.435%0.3566%0.659SS.*Hα-helixtrans-68-32.4178.4-64.30000112.8E141 V143 R149E141-S145 WeakPolarHBondContact O-CB 3.28Å; E141-S145 PolarHBondContact O-N 3.36Å; E141-S145 PolarHBondContact O-OG 3.49Å; V143-S145 PolarHBondContact O-N 3.06Å; S145-R149 WeakPolarHBondContact O-CB 3.29Å; S145-R149 VanDerWaalsContact O-CG 3.29Å; S145-R149 WeakPolarHBondContact O-CG 3.46Å; S145-R149 PolarHBondContact O-N 3.28Å
146A32.5Very low31Very low69 Ų69107.9 Ų107.957%0.5766%0.66SS**Hα-helixtrans-68-38.1174.800000111.7S142 V143 I144 C148S142-A146 PolarHBondContact O-N 3.06Å; V143-A146 PolarHBondContact O-N 3.36Å; I144-A146 VanDerWaalsContact C-N 3.33Å; I144-A146 PolarHBondContact O-N 3.44Å; A146-C148 PolarHBondContact O-N 3.17Å
147I31.7Very low30.9Very low70 Ų70111.3 Ų111.336%0.35967%0.668SS.*Hα-helixtrans-66.3-38.3-179.2-66.5164.6000111.7V143 I144 L315V143-I147 HydrophobicContact CG1-CD1 4.05Å; V143-I147 WeakPolarHBondContact O-CD1 3.29Å; V143-I147 VanDerWaalsContact O-CG1 3.3Å; V143-I147 WeakPolarHBondContact O-CG1 3.4Å; V143-I147 PolarHBondContact O-N 2.96Å; I144-I147 PolarHBondContact O-N 2.71Å; I147-L315 HydrophobicContact CD1-CD2 4.13Å; I147-L315 HydrophobicContact CG1-CD2 4.25Å; I147-L315 HydrophobicContact CG2-CD2 3.72Å; I147-L315 HydrophobicContact CG2-CG 4.19Å
148C30.2Very low30.5Very low82 Ų82111.6 Ų111.655%0.55467%0.67SS**Hα-helixtrans-87.1-15.5-174.5-70.10000115.1I144 A146I144-C148 PolarHBondContact O-N 3.38Å; A146-C148 PolarHBondContact O-N 3.17Å
149R30.2Very low30.1Very low200 Ų200113.8 Ų113.876%0.75567%0.671SS**Hα-helixtrans-101.4-2.8-167.9-69.9-176.4-172-164.95.2116.1S145 S151S145-R149 WeakPolarHBondContact O-CB 3.29Å; S145-R149 VanDerWaalsContact O-CG 3.29Å; S145-R149 WeakPolarHBondContact O-CG 3.46Å; S145-R149 PolarHBondContact O-N 3.28Å; R149-S151 PolarHBondContact O-N 3.41Å
150S27.8Very low29.7Very low77 Ų77116.3 Ų116.354%0.53868%0.68SS.*  trans-96.861.4176.546.20000111.2
151S26Very low29Very low92 Ų92118.7 Ų118.764%0.64369%0.688SS**  trans-103.1141.716610.50000108.6R149R149-S151 PolarHBondContact O-N 3.41Å
152S24Very low28.8Very low127 Ų127118.8 Ų118.889%0.88869%0.693SS**  trans76.794.2-177.869.80000117.2
153S27.3Very low28.1Very low121 Ų121121.7 Ų121.785%0.84670%0.702SS**  trans-160.4116135.7-169.70000108.9
154E25.9Very low27.8Very low198 Ų198124.9 Ų124.993%0.92571%0.714SS**  trans-68.4128.8170.8-60.3-176.6157.100108.7
155G23.4Very low27.3Very low77 Ų77129.2 Ų129.279%0.79474%0.737SS**  trans-132.996.2175.400000108.4
156S21.9Very low26.6Very low123 Ų123129.7 Ų129.786%0.8675%0.751SS**  trans-75.3115.6170.852.90000109.3
157E27.4Very low26.2Very low195 Ų195135.6 Ų135.691%0.91176%0.763SS**  trans-127.5126.6163.5-71.1-169.9168.900109.7
158S23.5Very low25.8Very low108 Ų108138.2 Ų138.276%0.75579%0.785SS**  trans-72.8144.7-163.644.40000114.1
159E24.4Very low25.7Very low174 Ų174142.6 Ų142.681%0.81380%0.802SS**  trans-56.4123.4167.9-61.6165.716600110.9
160N25.4Very low25.4Very low146 Ų146136.1 Ų136.178%0.78180%0.797SS**  trans-116.495.3158.1-79.9-34.5000107.1D162N160-D162 PolarHBondContact O-N 3.17Å
161E25.4Very low25.2Very low180 Ų180140.6 Ų140.684%0.84182%0.815SS**  trans-75.393.3167.6-68-174.3145.100108.8D163E161-D163 PolarHBondContact O-N 3.4Å
162D29.9Very low25.3Very low151 Ų151143 Ų14381%0.80783%0.825SS**  trans-89.395.2166.9-80.4-34.8000109.8N160 I164N160-D162 PolarHBondContact O-N 3.17Å; D162-I164 PolarHBondContact O-N 3.29Å
163D23.6Very low25.4Very low156 Ų156141 Ų14183%0.83482%0.817SS**  trans-57.8103.5168.5-126.6-16.3000110.6E161E161-D163 PolarHBondContact O-N 3.4Å
164I30.2Very low25.1Very low162 Ų162139.2 Ų139.283%0.83182%0.818SS**  trans-110.588.6163-62-174.8000109.2D162D162-I164 PolarHBondContact O-N 3.29Å
165N23.2Very low25.1Very low155 Ų155138.7 Ų138.783%0.82982%0.815SS**  trans-74.8130166.3-1767.6000110.9
166G23.7Very low25.1Very low61 Ų61145 Ų14563%0.62982%0.821SS**  trans112.3106.8156.800000115.5
167K25.9Very low25.2Very low192 Ų192147 Ų14784%0.83582%0.821SS**  172.4141.477.7-135.7157.9-178.8167.90109.3L169K167-L169 PolarHBondContact O-N 3.3Å
168P23.3Very low25Very low125 Ų125143.6 Ų143.681%0.81281%0.809SS**PPolyproline II helixtrans-79120-179.63.613.8000109.8
169L26.6Very low25.1Very low175 Ų175145.8 Ų145.892%0.91681%0.812SS**PPolyproline II helixtrans-85.1125.1165-106.492.8000108.8K167K167-L169 PolarHBondContact O-N 3.3Å
170G24Very low25.1Very low63 Ų63141.7 Ų141.765%0.64980%0.803SS**PPolyproline II helixtrans-64.4162.7-169.500000116.1V172G170-V172 PolarHBondContact O-N 2.9Å
171D23.6Very low25Very low172 Ų172138.9 Ų138.992%0.9280%0.8SS**  trans-44.9109.1176.2-61.8-48.7000112.7
172V28.5Very low24.8Very low141 Ų141138.8 Ų138.886%0.85580%0.797SS**  trans-98.9112.2158-179.50000106.9G170G170-V172 PolarHBondContact O-N 2.9Å
173A26.3Very low24.4Very low87 Ų87139.1 Ų139.172%0.71980%0.798SS**  trans-45.9138.9178.900000112.4E175A173-E175 PolarHBondContact O-N 3.19Å
174G21.7Very low24.2Very low83 Ų83133.3 Ų133.386%0.85678%0.775SS**  trans-59.8114.6-178.400000112.7
175E24.6Very low23.8Very low187 Ų187130.8 Ų130.887%0.87476%0.762SS**  trans-98.4125.9156-74.3-171.8150.500108.5A173 L177A173-E175 PolarHBondContact O-N 3.19Å; E175-L177 PolarHBondContact O-N 2.78Å
176K23.7Very low23.7Very low210 Ų210130.7 Ų130.791%0.91376%0.762SS**  trans-52.1119.1-178.1-75.9171.6173.8175.30110.2D178K176-D178 PolarHBondContact O-N 3.37Å; K176-D178 VanDerWaalsContact O-N 3.1Å
177L23.6Very low23.7Very low164 Ų164134 Ų13486%0.85976%0.764SS**  trans-60.7107.9168.3-80.3154.9000109.2E175 N179E175-L177 PolarHBondContact O-N 2.78Å; L177-N179 PolarHBondContact O-N 3.12Å
178D24.4Very low23.4Very low124 Ų124127.2 Ų127.266%0.66375%0.749SS**  trans-68120.6161.9180-6.8000108.3K176 S180K176-D178 PolarHBondContact O-N 3.37Å; K176-D178 VanDerWaalsContact O-N 3.1Å; D178-S180 VanDerWaalsContact CG-OG 3.25Å; D178-S180 PolarHBondContact O-N 3.22Å; D178-S180 VanDerWaalsContact O-N 3.14Å; D178-S180 WeakPolarHBondContact OD1-CB 3.37Å; D178-S180 PolarHBondContact OD1-N 3.48Å; D178-S180 PolarHBondContact OD1-OG 2.86Å; D178-S180 PolarHBondContact OD2-OG 3Å
179N24.7Very low23.2Very low153 Ų153127.5 Ų127.582%0.81875%0.749SS**  trans-74.717.6176.6-79.7-28.6000113.2L177 A181L177-N179 PolarHBondContact O-N 3.12Å; N179-A181 VanDerWaalsContact C-N 3.27Å; N179-A181 PolarHBondContact O-N 2.82Å
180S24.8Very low23.1Very low89 Ų89128.2 Ų128.262%0.62275%0.745SS**  trans-77.368.3178.273.20000113D178D178-S180 VanDerWaalsContact CG-OG 3.25Å; D178-S180 PolarHBondContact O-N 3.22Å; D178-S180 VanDerWaalsContact O-N 3.14Å; D178-S180 WeakPolarHBondContact OD1-CB 3.37Å; D178-S180 PolarHBondContact OD1-N 3.48Å; D178-S180 PolarHBondContact OD1-OG 2.86Å; D178-S180 PolarHBondContact OD2-OG 3Å
181A22.2Very low23.2Very low87 Ų87132.1 Ų132.172%0.71975%0.75SS**  trans-141.844.9155.300000109.9N179 L183N179-A181 VanDerWaalsContact C-N 3.27Å; N179-A181 PolarHBondContact O-N 2.82Å; A181-L183 VanDerWaalsContact C-N 3.35Å; A181-L183 PolarHBondContact O-N 2.81Å
182F22.1Very low23.2Very low178 Ų178131.6 Ų131.678%0.78175%0.748SS**  trans-84.880.8166.6-170.9-97.2000108G184F182-G184 PolarHBondContact O-N 2.98Å; F182-G184 VanDerWaalsContact O-N 3.09Å
183L21.5Very low23.2Very low157 Ų157133 Ų13382%0.82275%0.745SS**  trans-79.975.5160.5-79.6166.5000106.9A181 I185A181-L183 VanDerWaalsContact C-N 3.35Å; A181-L183 PolarHBondContact O-N 2.81Å; L183-I185 PolarHBondContact O-N 3.15Å; L183-I185 VanDerWaalsContact O-N 3.13Å
184G19.7Very low23.2Very low35 Ų35136.9 Ų136.936%0.36175%0.748SS.*  trans-60.7111.216200000107.2F182 N186F182-G184 PolarHBondContact O-N 2.98Å; F182-G184 VanDerWaalsContact O-N 3.09Å; G184-N186 VanDerWaalsContact C-N 3.28Å; G184-N186 PolarHBondContact O-N 3.27Å
185I21.2Very low23.9Very low109 Ų109141.2 Ų141.256%0.55975%0.751SS**  trans-64.3103.2161.7-59.4169.5000103.6L183 L187L183-I185 PolarHBondContact O-N 3.15Å; L183-I185 VanDerWaalsContact O-N 3.13Å; I185-L187 PolarHBondContact O-N 3.45Å
186N21.2Very low24.2Very low152 Ų152141 Ų14181%0.81375%0.75SS**  trans-58.796.9165.6-82.9-79.2000105.5G184 G188G184-N186 VanDerWaalsContact C-N 3.28Å; G184-N186 PolarHBondContact O-N 3.27Å; N186-G188 PolarHBondContact O-N 3.44Å
187L23.5Very low24.8Very low131 Ų131133.8 Ų133.869%0.68674%0.735SS**  trans-59113162-140.879000103.8I118 I185 T189I118-L187 HydrophobicContact CD1-CD2 3.92Å; I185-L187 PolarHBondContact O-N 3.45Å; L187-T189 PolarHBondContact O-N 3.28Å
188G19.5Very low25.8Very low49 Ų49133 Ų13351%0.50573%0.732SS.*  trans-43.2127-168.100000110.9N186 F190N186-G188 PolarHBondContact O-N 3.44Å; G188-F190 PolarHBondContact O-N 2.84Å
189T20.1Very low27Very low132 Ų132136.8 Ų136.881%0.8175%0.746SS**  trans-56.489.5155.841.60000105.8L187 D191L187-T189 PolarHBondContact O-N 3.28Å; T189-D191 PolarHBondContact O-N 3.35Å
190F24Very low28.6Very low190 Ų190137.3 Ų137.383%0.83374%0.743SS**  trans-64.3120.6159.6-85.5-87.8000104.7G188 N192G188-F190 PolarHBondContact O-N 2.84Å; F190-N192 PolarHBondContact O-N 2.73Å; F190-N192 VanDerWaalsContact O-N 3.08Å
191D25.5Very low30.5Very low144 Ų144141.8 Ų141.877%0.7775%0.754SS**  trans-45.1120.8178.4-64.8-51.5000108T189 E193T189-D191 PolarHBondContact O-N 3.35Å; D191-E193 PolarHBondContact O-N 3.26Å
192N24.8Very low32.9Very low161 Ų161142 Ų14286%0.86175%0.746SS**  trans-63.180.6165.5-103.5-10.7000105.5F190 Q194F190-N192 PolarHBondContact O-N 2.73Å; F190-N192 VanDerWaalsContact O-N 3.08Å; N192-Q194 PolarHBondContact O-N 3.16Å; N192-Q194 VanDerWaalsContact O-N 3.07Å
193E28.3Very low35.9Very low170 Ų170140.3 Ų140.379%0.79474%0.739SS**  trans-54.9118.2157.3-74.6-168.6136.900105.3D191 L195D191-E193 PolarHBondContact O-N 3.26Å; E193-L195 VanDerWaalsContact C-N 3.29Å; E193-L195 PolarHBondContact O-N 2.7Å
194Q26.9Very low39.1Very low170 Ų170136.9 Ų136.979%0.79473%0.725SS**  trans-54.989.7-172.7-65172.2-21.600109.5N192 E196N192-Q194 PolarHBondContact O-N 3.16Å; N192-Q194 VanDerWaalsContact O-N 3.07Å; Q194-E196 PolarHBondContact O-N 2.87Å
195L34.8Very low42.4Very low173 Ų173136.4 Ų136.491%0.90671%0.712SS**  trans-77.175.6164.3-76.2164.8000106.9E193 G197E193-L195 VanDerWaalsContact C-N 3.29Å; E193-L195 PolarHBondContact O-N 2.7Å; L195-G197 VanDerWaalsContact C-N 3.29Å; L195-G197 PolarHBondContact O-N 3.37Å
196E31.6Very low45.5Very low182 Ų182133.7 Ų133.785%0.8570%0.7SS**  trans-63.693.6157.1-68.9-176.3161.800107.2Q194Q194-E196 PolarHBondContact O-N 2.87Å
197G36.4Very low48.7Very low60 Ų60126.5 Ų126.562%0.61966%0.662SS**  trans-167.795-177.800000112.5L195L195-G197 VanDerWaalsContact C-N 3.29Å; L195-G197 PolarHBondContact O-N 3.37Å
198N44.6Very low51.8Low146 Ų146120.2 Ų120.278%0.78163%0.629SS**  trans45.5123.7161.2-65.6-19.8000117.7E200N198-E200 HydrophobicContact CB-CG 4.44Å; N198-E200 PolarHBondContact O-N 2.69Å
199E48.5Very low55.2Low205 Ų205118.5 Ų118.596%0.95861%0.609SS**  trans-60.673.3163-60.2174173.200109.5E201E199-E201 PolarHBondContact O-N 2.76Å; E199-E201 VanDerWaalsContact O-N 3.12Å
200E59.7Low58.5Low164 Ų164112.3 Ų112.377%0.76657%0.571SS**  trans-65.9112.3170.7-69.7-168.2167.600106.7N198 V202N198-E200 HydrophobicContact CB-CG 4.44Å; N198-E200 PolarHBondContact O-N 2.69Å; E200-V202 PolarHBondContact O-N 2.83Å
201E63.5Low61.6Low183 Ų183106.1 Ų106.186%0.85555%0.552SS**  trans-50.8109175.9-170.7177.8-170.700108.9E199 K203E199-E201 PolarHBondContact O-N 2.76Å; E199-E201 VanDerWaalsContact O-N 3.12Å; E201-K203 PolarHBondContact O-N 3.26Å
202V73.4Confident64.5Low91 Ų91103.5 Ų103.555%0.55254%0.541SS*.  trans-62.6109.2-176178.50000108.1E200 T204 Q218E200-V202 PolarHBondContact O-N 2.83Å; V202-T204 PolarHBondContact O-N 3.01Å; V202-Q218 HydrophobicContact CG1-CB 4.14Å
203K85.8Confident67.5Low142 Ų14297.6 Ų97.662%0.61751%0.509SS*.  trans-70.3124.7179.9-67.8-179.9-178173.80109.9E201 M217 Q218E201-K203 PolarHBondContact O-N 3.26Å; K203-M217 HydrophobicContact CB-CE 4.42Å; K203-M217 HydrophobicContact CB-CG 4.25Å; K203-M217 CarbonylContact O-C 3.56Å; K203-M217 VanDerWaalsContact O-CA 3.3Å; K203-M217 WeakPolarHBondContact O-CA 3.25Å; K203-Q218 PolarHBondContact O-N 3.17Å
204T88.7Confident69.9Low86 Ų8696.2 Ų96.253%0.52850%0.502SS..EExtended strand (participates in β ladder)trans-105157.6179.957.80000112.6V202 M217 Q218V202-T204 PolarHBondContact O-N 3.01Å; T204-M217 VanDerWaalsContact O-CE 3.28Å; T204-M217 WeakPolarHBondContact O-CE 3.49Å; T204-Q218 CarbonylContact C-O 3.58Å; T204-Q218 WeakPolarHBondContact CA-O 3.32Å
205Y88Confident72.4Confident24 Ų2493.3 Ų93.39%0.09450%0.5CS..EExtended strand (participates in β ladder)trans-137.7156169.369.8-83000111.3P209 I213 M217 Q218 P219 E220Y205-P209 VanDerWaalsContact OH-CA 3.25Å; Y205-P209 WeakPolarHBondContact OH-CA 3.37Å; Y205-P209 WeakPolarHBondContact OH-CB 3.38Å; Y205-P209 WeakPolarHBondContact OH-CG 3.31Å; Y205-I213 HydrophobicContact CD1-CG2 3.98Å; Y205-I213 HydrophobicContact CD2-CD1 3.69Å; Y205-I213 HydrophobicContact CD2-CG1 4.24Å; Y205-I213 HydrophobicContact CE1-CD1 4.14Å; Y205-I213 HydrophobicContact CE1-CG2 3.8Å; Y205-I213 HydrophobicContact CE2-CD1 3.2Å; Y205-I213 HydrophobicContact CE2-CG1 4.18Å; Y205-I213 HydrophobicContact CG-CD1 4.36Å; Y205-I213 HydrophobicContact CG-CG2 4.49Å; Y205-I213 VanDerWaalsContact CZ-CD1 3.45Å; Y205-M217 HydrophobicContact CD1-CB 3.8Å; Y205-M217 HydrophobicContact CE1-CB 4.26Å; Y205-Q218 VanDerWaalsContact CD1-C 3.45Å; Y205-Q218 VanDerWaalsContact CD1-O 3.32Å; Y205-Q218 WeakPolarHBondContact CD1-O 3.3Å; Y205-Q218 PolarHBondContact N-O 3.49Å; Y205-P219 HydrophobicContact CE1-CB 4Å; Y205-P219 HydrophobicContact CE1-CG 4.39Å; Y205-P219 HydrophobicContact CE2-CB 3.97Å; Y205-P219 CarbonylContact O-C 3.56Å; Y205-P219 WeakPolarHBondContact O-CA 3.18Å; Y205-E220 PolarHBondContact O-N 3.47Å
206V87.4Confident74.5Confident52 Ų5288.1 Ų88.132%0.31549%0.488SS..  trans-98.3123.2171.4178.90000107.3L87 E220 F221 N402 P403L87-V206 HydrophobicContact CB-CG1 4.29Å; L87-V206 HydrophobicContact CD1-CG1 4.19Å; V206-E220 VanDerWaalsContact CG2-OE2 3.23Å; V206-E220 WeakPolarHBondContact CG2-OE2 3.48Å; V206-F221 HydrophobicContact CG1-CE1 3.99Å; V206-F221 HydrophobicContact CG1-CZ 4.02Å; V206-N402 PolarHBondContact O-OD1 2.94Å; V206-P403 HydrophobicContact CB-CG 4.01Å; V206-P403 HydrophobicContact CG1-CG 4.18Å; V206-P403 WeakPolarHBondContact O-CD 3.42Å
207G87.1Confident77Confident1 Ų181.9 Ų81.91%0.0146%0.46CS..SBendtrans155.4165-174.300000114
208V89.8Confident79.4Confident0 Ų082.9 Ų82.90%045%0.448CS..  trans-79.3133.8161.9-175.80000108.4N210 F379 P397 I399 H401V208-N210 PolarHBondContact O-N 3.2Å; V208-N210 PolarHBondContact O-ND2 2.86Å; V208-F379 HydrophobicContact CB-CD1 3.52Å; V208-F379 HydrophobicContact CB-CE1 3.85Å; V208-F379 HydrophobicContact CG1-CB 4.2Å; V208-F379 HydrophobicContact CG1-CD1 3.57Å; V208-F379 HydrophobicContact CG1-CE1 4.39Å; V208-F379 HydrophobicContact CG1-CG 4.27Å; V208-P397 HydrophobicContact CG1-CB 4.38Å; V208-P397 HydrophobicContact CG1-CG 3.68Å; V208-P397 HydrophobicContact CG2-CB 3.93Å; V208-P397 HydrophobicContact CG2-CG 4.12Å; V208-I399 WeakPolarHBondContact CG2-O 3.48Å; V208-H401 PolarHBondContact N-O 2.7Å
209P89.5Confident81.5Confident12 Ų1277.5 Ų77.58%0.07842%0.421CS..  trans-56.3136.8176.7-11.416.8000111.9Y205 F379 M380Y205-P209 VanDerWaalsContact OH-CA 3.25Å; Y205-P209 WeakPolarHBondContact OH-CA 3.37Å; Y205-P209 WeakPolarHBondContact OH-CB 3.38Å; Y205-P209 WeakPolarHBondContact OH-CG 3.31Å; P209-F379 CarbonylContact O-C 3.52Å; P209-F379 VanDerWaalsContact O-CA 3.31Å; P209-F379 WeakPolarHBondContact O-CA 3.22Å; P209-M380 WeakPolarHBondContact CB-O 3.22Å; P209-M380 PolarHBondContact O-N 3.27Å
210N90.7Very high83.4Confident3 Ų372.4 Ų72.42%0.01640%0.397CS..BIsolated β-bridgetrans-157.8171.4-17066.467.2000112.2V208 T212 I213 L377 V378 F379V208-N210 PolarHBondContact O-N 3.2Å; V208-N210 PolarHBondContact O-ND2 2.86Å; N210-T212 PolarHBondContact O-N 3.39Å; N210-T212 PolarHBondContact OD1-N 3.38Å; N210-T212 PolarHBondContact OD1-OG1 3.22Å; N210-I213 HydrophobicContact CB-CD1 4.49Å; N210-I213 VanDerWaalsContact ND2-CD1 3.26Å; N210-I213 WeakPolarHBondContact ND2-CD1 3.46Å; N210-I213 PolarHBondContact O-N 3.06Å; N210-I213 PolarHBondContact OD1-N 3.22Å; N210-L377 HydrophobicContact CB-CD1 3.97Å; N210-V378 CarbonylContact C-O 3.56Å; N210-V378 WeakPolarHBondContact CA-O 3.3Å; N210-V378 WeakPolarHBondContact CB-O 2.88Å; N210-F379 HydrophobicContact CB-CD1 3.63Å; N210-F379 HydrophobicContact CB-CE1 3.94Å; N210-F379 HydrophobicContact CB-CG 4.11Å
211S88.4Confident84.7Confident60 Ų6064.9 Ų64.942%0.4236%0.362SS..THydrogen-bonded Turntrans-63.1-17.3-175.353.20000115.5V378S211-V378 PolarHBondContact N-O 2.71Å; S211-V378 PolarHBondContact OG-N 2.75Å
212T87.3Confident86Confident89 Ų8958.7 Ų58.755%0.54634%0.338SS..THydrogen-bonded Turntrans-94.3-12.8-177.966.40000113.8N210 L377N210-T212 PolarHBondContact O-N 3.39Å; N210-T212 PolarHBondContact OD1-N 3.38Å; N210-T212 PolarHBondContact OD1-OG1 3.22Å; T212-L377 HydrophobicContact CG2-CD1 3.63Å
213I86.8Confident86.8Confident36 Ų3654.4 Ų54.419%0.18531%0.312CS..SBendtrans-73134.3-178.7-71.7156.2000109.9Y205 N210 M217Y205-I213 HydrophobicContact CD1-CG2 3.98Å; Y205-I213 HydrophobicContact CD2-CD1 3.69Å; Y205-I213 HydrophobicContact CD2-CG1 4.24Å; Y205-I213 HydrophobicContact CE1-CD1 4.14Å; Y205-I213 HydrophobicContact CE1-CG2 3.8Å; Y205-I213 HydrophobicContact CE2-CD1 3.2Å; Y205-I213 HydrophobicContact CE2-CG1 4.18Å; Y205-I213 HydrophobicContact CG-CD1 4.36Å; Y205-I213 HydrophobicContact CG-CG2 4.49Å; Y205-I213 VanDerWaalsContact CZ-CD1 3.45Å; N210-I213 HydrophobicContact CB-CD1 4.49Å; N210-I213 VanDerWaalsContact ND2-CD1 3.26Å; N210-I213 WeakPolarHBondContact ND2-CD1 3.46Å; N210-I213 PolarHBondContact O-N 3.06Å; N210-I213 PolarHBondContact OD1-N 3.22Å; I213-M217 HydrophobicContact CG2-CB 3.94Å; I213-M217 HydrophobicContact CG2-SD 4.36Å
214Q80.3Confident87Confident141 Ų14149.8 Ų49.866%0.65929%0.291SS*.PPolyproline II helixtrans-65.9142.9179.7-63.1-177.2-27.300111M217Q214-M217 HydrophobicContact CB-CG 4.15Å; Q214-M217 HydrophobicContact CB-SD 3.91Å; Q214-M217 WeakPolarHBondContact O-CG 3.49Å; Q214-M217 PolarHBondContact O-N 3.39Å
215C78.4Confident87.1Confident110 Ų11046.2 Ų46.274%0.74327%0.27SS*.THydrogen-bonded Turntrans-58.1139.8176.3-168.30000110.8
216G78.6Confident87.2Confident64 Ų6446.3 Ų46.366%0.6627%0.272SS*.THydrogen-bonded Turntrans85.9-2.2-17900000115.2
217M85.2Confident87.2Confident51 Ų5143.9 Ų43.925%0.25126%0.257SS..  trans-85.4143.2173.6-60.3-170.775.900112.2K203 T204 Y205 I213 Q214K203-M217 HydrophobicContact CB-CE 4.42Å; K203-M217 HydrophobicContact CB-CG 4.25Å; K203-M217 CarbonylContact O-C 3.56Å; K203-M217 VanDerWaalsContact O-CA 3.3Å; K203-M217 WeakPolarHBondContact O-CA 3.25Å; T204-M217 VanDerWaalsContact O-CE 3.28Å; T204-M217 WeakPolarHBondContact O-CE 3.49Å; Y205-M217 HydrophobicContact CD1-CB 3.8Å; Y205-M217 HydrophobicContact CE1-CB 4.26Å; I213-M217 HydrophobicContact CG2-CB 3.94Å; I213-M217 HydrophobicContact CG2-SD 4.36Å; Q214-M217 HydrophobicContact CB-CG 4.15Å; Q214-M217 HydrophobicContact CB-SD 3.91Å; Q214-M217 WeakPolarHBondContact O-CG 3.49Å; Q214-M217 PolarHBondContact O-N 3.39Å
218Q85.3Confident87.4Confident81 Ų8145.4 Ų45.438%0.37927%0.267SS..EExtended strand (participates in β ladder)trans-113138178.9-171.2-178.4-26.500111.9I117 V202 K203 T204 Y205I117-Q218 VanDerWaalsContact CD1-CD 3.44Å; I117-Q218 HydrophobicContact CD1-CG 4.47Å; V202-Q218 HydrophobicContact CG1-CB 4.14Å; K203-Q218 PolarHBondContact O-N 3.17Å; T204-Q218 CarbonylContact C-O 3.58Å; T204-Q218 WeakPolarHBondContact CA-O 3.32Å; Y205-Q218 VanDerWaalsContact CD1-C 3.45Å; Y205-Q218 VanDerWaalsContact CD1-O 3.32Å; Y205-Q218 WeakPolarHBondContact CD1-O 3.3Å; Y205-Q218 PolarHBondContact N-O 3.49Å
219P89.3Confident87.2Confident33 Ų3345.7 Ų45.721%0.21427%0.269CS..EExtended strand (participates in β ladder)trans-66.8140.5174.426.6-33000110.8Y205 F221Y205-P219 HydrophobicContact CE1-CB 4Å; Y205-P219 HydrophobicContact CE1-CG 4.39Å; Y205-P219 HydrophobicContact CE2-CB 3.97Å; Y205-P219 CarbonylContact O-C 3.56Å; Y205-P219 WeakPolarHBondContact O-CA 3.18Å; P219-F221 PolarHBondContact O-N 3.42Å
220E87.9Confident87.1Confident98 Ų9846 Ų4646%0.45828%0.275SS..SBendtrans-62.1-28.4176.9-164.6-164.7128.500112.4R88 Y205 V206R88-E220 IonicContact CZ-OE1 3.38Å; R88-E220 IonicContact NE-OE1 3.46Å; R88-E220 PolarHBondContact NE-OE1 2.95Å; R88-E220 IonicContact NH2-OE1 3.99Å; R88-E220 PolarHBondContact NH2-OE1 3.24Å; Y205-E220 PolarHBondContact O-N 3.47Å; V206-E220 VanDerWaalsContact CG2-OE2 3.23Å; V206-E220 WeakPolarHBondContact CG2-OE2 3.48Å
221F88.6Confident87Confident6 Ų648.2 Ų48.23%0.02629%0.29CS..SBendtrans-148.3148.4175.850.9-93000111.2L87 R88 Y92 V206 P219 S223L87-F221 HydrophobicContact CB-CE2 4.32Å; L87-F221 HydrophobicContact CB-CZ 3.78Å; R88-F221 VanDerWaalsContact CA-CZ 3.42Å; R88-F221 HydrophobicContact CB-CD1 3.91Å; R88-F221 HydrophobicContact CB-CE1 3.53Å; R88-F221 HydrophobicContact CB-CE2 4.34Å; R88-F221 HydrophobicContact CB-CG 4.47Å; R88-F221 HydrophobicContact CB-CZ 3.77Å; R88-F221 HydrophobicContact CG-CD1 3.98Å; R88-F221 HydrophobicContact CG-CE1 4.14Å; R88-F221 HydrophobicContact CG-CG 4.35Å; R88-F221 VanDerWaalsContact N-CZ 3.35Å; Y92-F221 HydrophobicContact CD1-CB 4.21Å; Y92-F221 HydrophobicContact CD2-CB 3.91Å; Y92-F221 HydrophobicContact CE2-CB 4.43Å; Y92-F221 HydrophobicContact CG-CB 3.77Å; Y92-F221 HydrophobicContact CG-CD2 4.37Å; Y92-F221 HydrophobicContact CG-CG 4.29Å; V206-F221 HydrophobicContact CG1-CE1 3.99Å; V206-F221 HydrophobicContact CG1-CZ 4.02Å; P219-F221 PolarHBondContact O-N 3.42Å; F221-S223 PolarHBondContact O-N 2.71Å
222P89.4Confident86.9Confident53 Ų5345.9 Ų45.934%0.34427%0.274SS..  trans-69120.8175.927.5-33.2000110.7Y92Y92-P222 HydrophobicContact CD2-CG 3.71Å; Y92-P222 HydrophobicContact CE2-CG 3.64Å
223S90.2Very high86.9Confident1 Ų144.8 Ų44.81%0.00727%0.27CS..SBendtrans-85.2-8.1178.4-72.90000114.3F221 R395 P397F221-S223 PolarHBondContact O-N 2.71Å; S223-R395 VanDerWaalsContact C-NH2 3.27Å; S223-R395 PolarHBondContact O-NH1 3.32Å; S223-R395 PolarHBondContact O-NH2 3.04Å; S223-P397 WeakPolarHBondContact O-CA 3.34Å
224Y90.3Very high87Confident44 Ų4446.7 Ų46.717%0.17328%0.277CS..  trans-130.3169.4179.865.3-95.7000110.1I381 H384 R395Y224-I381 HydrophobicContact CD1-CB 4.16Å; Y224-I381 HydrophobicContact CD1-CG1 3.96Å; Y224-I381 HydrophobicContact CD1-CG2 3.75Å; Y224-I381 HydrophobicContact CD2-CG2 3.39Å; Y224-I381 HydrophobicContact CE1-CB 4.36Å; Y224-I381 HydrophobicContact CE1-CG2 3.89Å; Y224-I381 WeakPolarHBondContact CE1-O 3.42Å; Y224-I381 HydrophobicContact CE2-CG2 3.56Å; Y224-I381 HydrophobicContact CG-CB 4.26Å; Y224-I381 HydrophobicContact CG-CD1 4.36Å; Y224-I381 HydrophobicContact CG-CG1 4.05Å; Y224-I381 HydrophobicContact CG-CG2 3.49Å; Y224-I381 VanDerWaalsContact CG-CG2 3.49Å; Y224-I381 PolarHBondContact OH-O 3.3Å; Y224-H384 AromaticContact CE2-CE1 3.91Å; Y224-H384 AromaticContact CE2-NE2 3.63Å; Y224-H384 AromaticContact CZ-NE2 3.79Å; Y224-H384 PolarHBondContact OH-CE1 3.3Å; Y224-H384 PolarHBondContact OH-NE2 2.86Å; Y224-R395 WeakPolarHBondContact CA-O 3.47Å; Y224-R395 WeakPolarHBondContact CB-O 3.38Å
225A90.2Very high87.4Confident11 Ų1141.5 Ų41.59%0.09125%0.251CS..EExtended strand (participates in β ladder)trans-144.4144.7172.900000111.5N73 V227 R395N73-A225 HydrophobicContact CB-CB 4.06Å; N73-A225 WeakPolarHBondContact OD1-CB 3.17Å; A225-V227 HydrophobicContact CB-CG2 4.26Å; A225-R395 HydrophobicContact CB-CB 4.27Å; A225-R395 PolarHBondContact N-O 2.96Å; A225-R395 VanDerWaalsContact N-O 3.14Å; A225-R395 PolarHBondContact O-N 2.91Å
226I90.3Very high87.8Confident26 Ų2638 Ų3813%0.13323%0.227CC..EExtended strand (participates in β ladder)trans-119.2115.6171.3-61.7-179.3000107.4V365 H384 L386 W392 V394I226-V365 HydrophobicContact CD1-CG1 4.08Å; I226-H384 HydrophobicContact CD1-CB 3.32Å; I226-H384 WeakPolarHBondContact CD1-CD2 3.5Å; I226-L386 HydrophobicContact CG2-CD2 3.7Å; I226-W392 HydrophobicContact CG2-CE3 3.98Å; I226-W392 HydrophobicContact CG2-CZ3 4.36Å; I226-V394 HydrophobicContact CG1-CG1 4.27Å; I226-V394 HydrophobicContact CG1-CG2 4.35Å
227V88.7Confident87.9Confident1 Ų142.6 Ų42.61%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-119124-168.9-174.50000110.4N73 C107 A225 V229 W392 I393N73-V227 HydrophobicContact CB-CG2 3.7Å; C107-V227 HydrophobicContact CB-CG1 3.5Å; A225-V227 HydrophobicContact CB-CG2 4.26Å; V227-V229 PolarHBondContact O-N 2.81Å; V227-W392 CarbonylContact O-C 3.5Å; V227-W392 VanDerWaalsContact O-CA 3.31Å; V227-W392 WeakPolarHBondContact O-CA 3.49Å; V227-I393 PolarHBondContact N-O 3.15Å; V227-I393 PolarHBondContact O-N 3.13Å
228C89.9Confident88Confident33 Ų3343.9 Ų43.922%0.22325%0.245CC..EExtended strand (participates in β ladder)trans-78.7105.7166.3-170.20000109.3G230 W392C228-G230 VanDerWaalsContact C-N 3.34Å; C228-W392 HydrophobicContact CB-CD2 4.29Å; C228-W392 HydrophobicContact CB-CE3 3.76Å; C228-W392 HydrophobicContact CB-CH2 3.67Å; C228-W392 HydrophobicContact CB-CZ2 4.18Å; C228-W392 HydrophobicContact CB-CZ3 3.45Å; C228-W392 VanDerWaalsContact CB-CZ3 3.45Å
229V87.1Confident88.1Confident6 Ų647.7 Ų47.74%0.03626%0.256CS..EExtended strand (participates in β ladder)trans-73.6-30.1178.9175.10000111.5H76 V227 K234 Y391 I393H76-V229 WeakPolarHBondContact CE1-CG1 3.23Å; H76-V229 WeakPolarHBondContact NE2-CG1 3.45Å; V227-V229 PolarHBondContact O-N 2.81Å; V229-K234 HydrophobicContact CG1-CD 3.77Å; V229-K234 PolarHBondContact O-NZ 3.36Å; V229-Y391 HydrophobicContact CB-CD1 3.51Å; V229-Y391 HydrophobicContact CB-CE1 3.86Å; V229-Y391 HydrophobicContact CB-CG 4Å; V229-Y391 WeakPolarHBondContact CB-O 3.18Å; V229-Y391 HydrophobicContact CG1-CD1 3.42Å; V229-Y391 VanDerWaalsContact CG1-CD1 3.42Å; V229-Y391 HydrophobicContact CG1-CE1 3.58Å; V229-Y391 HydrophobicContact CG1-CG 4.37Å; V229-Y391 HydrophobicContact CG2-CD1 4.06Å; V229-Y391 HydrophobicContact CG2-CE1 3.96Å; V229-Y391 HydrophobicContact CG2-CG 4.46Å; V229-Y391 PolarHBondContact N-O 3.29Å; V229-I393 HydrophobicContact CG2-CB 4.43Å; V229-I393 HydrophobicContact CG2-CD1 3.53Å; V229-I393 HydrophobicContact CG2-CG1 3.75Å
230G86.4Confident88Confident19 Ų1946.1 Ų46.120%0.19625%0.245CC..EExtended strand (participates in β ladder)trans149.1-151.4177.100000113.1C228 K390 Y391C228-G230 VanDerWaalsContact C-N 3.34Å; G230-K390 CarbonylContact O-C 3.45Å; G230-K390 VanDerWaalsContact O-CA 3.25Å; G230-K390 WeakPolarHBondContact O-CA 3.49Å; G230-K390 WeakPolarHBondContact O-CB 2.84Å; G230-K390 WeakPolarHBondContact O-CD 3.49Å; G230-Y391 PolarHBondContact O-N 3.26Å
231S88.6Confident87.9Confident49 Ų4942 Ų4234%0.34323%0.227SC..EExtended strand (participates in β ladder)trans-60.4144.7177.1178.30000111.8S233 K234S231-S233 WeakPolarHBondContact CB-OG 3.2Å; S231-S233 PolarHBondContact O-N 2.85Å; S231-S233 PolarHBondContact OG-N 2.95Å; S231-S233 PolarHBondContact OG-OG 3.38Å; S231-K234 WeakPolarHBondContact O-CB 3.34Å; S231-K234 PolarHBondContact O-N 2.87Å
232S87Confident87.6Confident11 Ų1146.7 Ų46.78%0.07724%0.244CC..G310 helixtrans-56-22.3171.655.20000113.3K234 Y235 S389S232-K234 PolarHBondContact O-N 3.49Å; S232-Y235 PolarHBondContact O-N 2.71Å; S232-Y235 VanDerWaalsContact O-N 3.12Å; S232-Y235 VanDerWaalsContact O-O 3.11Å; S232-S389 PolarHBondContact N-O 3.28Å; S232-S389 PolarHBondContact OG-O 2.77Å
233S87.5Confident87.3Confident66 Ų6649.9 Ų49.946%0.46226%0.258SS..G310 helixtrans-64.5-12.8175.261.10000115.3S231 Y235S231-S233 WeakPolarHBondContact CB-OG 3.2Å; S231-S233 PolarHBondContact O-N 2.85Å; S231-S233 PolarHBondContact OG-N 2.95Å; S231-S233 PolarHBondContact OG-OG 3.38Å; S233-Y235 PolarHBondContact O-N 2.89Å
234K88.1Confident87.1Confident76 Ų7650.7 Ų50.733%0.3326%0.262SS..G310 helixtrans-63.6-25.1170.7-76.7-171.8165.2-168.90112.4V229 S231 S232 Y391V229-K234 HydrophobicContact CG1-CD 3.77Å; V229-K234 PolarHBondContact O-NZ 3.36Å; S231-K234 WeakPolarHBondContact O-CB 3.34Å; S231-K234 PolarHBondContact O-N 2.87Å; S232-K234 PolarHBondContact O-N 3.49Å; K234-Y391 HydrophobicContact CB-CD1 4.11Å; K234-Y391 HydrophobicContact CD-CD1 4.43Å
235Y89.4Confident86.8Confident32 Ų3250.3 Ų50.313%0.12527%0.265CS..EExtended strand (participates in β ladder)trans-102.5136.9168.8174.5-110.3000110.3S232 S233 L241 L254 A307 V355S232-Y235 PolarHBondContact O-N 2.71Å; S232-Y235 VanDerWaalsContact O-N 3.12Å; S232-Y235 VanDerWaalsContact O-O 3.11Å; S233-Y235 PolarHBondContact O-N 2.89Å; Y235-L241 HydrophobicContact CD2-CD2 3.93Å; Y235-L241 HydrophobicContact CD2-CG 4.26Å; Y235-L241 HydrophobicContact CG-CD2 4.46Å; Y235-L254 HydrophobicContact CD1-CD1 3.67Å; Y235-L254 HydrophobicContact CD1-CG 4.36Å; Y235-L254 HydrophobicContact CD2-CD1 3.77Å; Y235-L254 HydrophobicContact CD2-CG 3.8Å; Y235-L254 HydrophobicContact CE1-CB 4.13Å; Y235-L254 HydrophobicContact CE1-CD1 3.74Å; Y235-L254 HydrophobicContact CE1-CG 4.07Å; Y235-L254 HydrophobicContact CE2-CB 4.01Å; Y235-L254 HydrophobicContact CE2-CD1 3.87Å; Y235-L254 HydrophobicContact CE2-CG 3.5Å; Y235-L254 VanDerWaalsContact CE2-CG 3.5Å; Y235-L254 HydrophobicContact CG-CD1 3.67Å; Y235-L254 HydrophobicContact CG-CG 4.22Å; Y235-L254 PolarHBondContact OH-N 3.14Å; Y235-L254 PolarHBondContact OH-O 2.79Å; Y235-L254 VanDerWaalsContact OH-O 3.1Å; Y235-A307 HydrophobicContact CD1-CB 4.28Å; Y235-A307 HydrophobicContact CE1-CB 3.77Å; Y235-V355 HydrophobicContact CD1-CB 4.36Å; Y235-V355 HydrophobicContact CD1-CG1 4.3Å; Y235-V355 HydrophobicContact CD1-CG2 4.16Å; Y235-V355 HydrophobicContact CG-CG2 4.06Å
236T86.5Confident86.3Confident37 Ų3754.8 Ų54.823%0.22729%0.287CS..EExtended strand (participates in β ladder)trans-143.3139.3171.754.20000109.3S238 R239 G240T236-S238 PolarHBondContact O-N 3.08Å; T236-S238 VanDerWaalsContact O-N 3.08Å; T236-R239 PolarHBondContact O-N 3.41Å; T236-R239 VanDerWaalsContact O-N 3.08Å; T236-R239 WeakPolarHBondContact OG1-CB 3.43Å; T236-G240 PolarHBondContact N-O 3.13Å; T236-G240 PolarHBondContact O-N 2.8Å
237H81Confident85.8Confident161 Ų16155.7 Ų55.775%0.74529%0.29SS*.THydrogen-bonded Turntrans-58.3-24-179.359.6-92.5000113.9Y253H237-Y253 WeakPolarHBondContact O-CD1 3.49Å; H237-Y253 VanDerWaalsContact O-CE1 3.22Å; H237-Y253 WeakPolarHBondContact O-CE1 3.46Å
238S86.3Confident85.1Confident78 Ų7857.5 Ų57.555%0.54530%0.303SS..THydrogen-bonded Turntrans-82.1-28.7177.856.30000114T236 Y253T236-S238 PolarHBondContact O-N 3.08Å; T236-S238 VanDerWaalsContact O-N 3.08Å; S238-Y253 PolarHBondContact O-OH 3.46Å
239R87Confident84.4Confident160 Ų16064.9 Ų64.960%0.60433%0.334SS*.THydrogen-bonded Turntrans-117.8-8.8-174-62.4178.1176.2-179.8-0.2114.6T236 R242T236-R239 PolarHBondContact O-N 3.41Å; T236-R239 VanDerWaalsContact O-N 3.08Å; T236-R239 WeakPolarHBondContact OG1-CB 3.43Å; R239-R242 VanDerWaalsContact CD-NH2 3.3Å
240G87.1Confident83.9Confident0 Ų066.6 Ų66.60%035%0.352CS..EExtended strand (participates in β ladder)trans71.3-158.4-175.600000113.2T236 Q252 Y253T236-G240 PolarHBondContact N-O 3.13Å; T236-G240 PolarHBondContact O-N 2.8Å; G240-Q252 CarbonylContact C-O 3.6Å; G240-Q252 WeakPolarHBondContact CA-O 3.33Å; G240-Y253 VanDerWaalsContact N-CE1 3.32Å
241L86.3Confident83.5Confident12 Ų1267 Ų676%0.06335%0.353CS..EExtended strand (participates in β ladder)trans-72.3120.1172.5-70.9176.5000110.7Y235 Q244 F247 Q252 L254 H353 Y391Y235-L241 HydrophobicContact CD2-CD2 3.93Å; Y235-L241 HydrophobicContact CD2-CG 4.26Å; Y235-L241 HydrophobicContact CG-CD2 4.46Å; L241-Q244 HydrophobicContact CB-CB 4.33Å; L241-Q244 HydrophobicContact CB-CG 4.2Å; L241-F247 HydrophobicContact CD1-CE1 4.38Å; L241-F247 HydrophobicContact CD1-CE2 4.06Å; L241-F247 HydrophobicContact CD1-CZ 3.77Å; L241-Q252 PolarHBondContact N-O 2.91Å; L241-L254 HydrophobicContact CD1-CD2 3.72Å; L241-L254 HydrophobicContact CD2-CD1 4.31Å; L241-L254 HydrophobicContact CD2-CD2 3.84Å; L241-L254 HydrophobicContact CD2-CG 4.29Å; L241-L254 HydrophobicContact CG-CD2 3.83Å; L241-L254 HydrophobicContact CG-CG 4.39Å; L241-H353 HydrophobicContact CD1-CB 4.45Å; L241-Y391 HydrophobicContact CD2-CE1 4.12Å; L241-Y391 HydrophobicContact CD2-CE2 3.98Å
242R83.2Confident83.2Confident105 Ų10566.9 Ų66.940%0.39635%0.346SS..SBendtrans-85.2150.7172.8-59.7-168.1-168.2176.911.9111.5R239 Q244R239-R242 VanDerWaalsContact CD-NH2 3.3Å; R242-Q244 PolarHBondContact O-N 2.89Å; R242-Q244 VanDerWaalsContact O-N 3.17Å
243D81.9Confident83.2Confident120 Ų12070.9 Ų70.964%0.64236%0.361SS*.SBendtrans57.229.3172.7-46.2-41.9000113.9H76H76-D243 PolarHBondContact CD2-O 2.9Å; H76-D243 VanDerWaalsContact CD2-O 3.28Å
244Q86Confident83.1Confident18 Ų1868.1 Ų68.18%0.08434%0.341CS..  trans-117.7109.8174.6-65.1-66.8-5700109.5G74 G75 H76 L241 R242 F247 H353G74-Q244 PolarHBondContact O-NE2 3.43Å; G74-Q244 VanDerWaalsContact O-NE2 3.15Å; G75-Q244 PolarHBondContact O-OE1 3.4Å; H76-Q244 PolarHBondContact CE1-NE2 2.84Å; H76-Q244 VanDerWaalsContact CE1-NE2 3.3Å; H76-Q244 PolarHBondContact NE2-NE2 2.86Å; L241-Q244 HydrophobicContact CB-CB 4.33Å; L241-Q244 HydrophobicContact CB-CG 4.2Å; R242-Q244 PolarHBondContact O-N 2.89Å; R242-Q244 VanDerWaalsContact O-N 3.17Å; Q244-F247 HydrophobicContact CB-CD2 3.99Å; Q244-F247 HydrophobicContact CB-CE2 3.72Å; Q244-H353 PolarHBondContact OE1-CE1 2.75Å
245P83.7Confident82.9Confident36 Ų3666.6 Ų66.623%0.23434%0.336CS..  trans-78.7171.6179.834.7-35000112.2G75 Q78 F247G75-P245 WeakPolarHBondContact O-CD 3.37Å; Q78-P245 HydrophobicContact CG-CG 3.86Å; P245-F247 VanDerWaalsContact C-N 3.27Å; P245-F247 PolarHBondContact O-N 2.86Å
246N80.4Confident82.7Confident105 Ų10568.9 Ų68.956%0.56136%0.355SS*.SBendtrans65.413.4177.1-62.7-5.6000116.9Q78Q78-N246 PolarHBondContact NE2-ND2 2.95Å; Q78-N246 PolarHBondContact NE2-OD1 3.19Å
247F79.6Confident82.6Confident44 Ų4468.2 Ų68.219%0.19335%0.348CS..PPolyproline II helixtrans-76.3131.2164-75.6-85.1000109.6L241 Q244 P245 S251 Q252 V309 H353L241-F247 HydrophobicContact CD1-CE1 4.38Å; L241-F247 HydrophobicContact CD1-CE2 4.06Å; L241-F247 HydrophobicContact CD1-CZ 3.77Å; Q244-F247 HydrophobicContact CB-CD2 3.99Å; Q244-F247 HydrophobicContact CB-CE2 3.72Å; P245-F247 VanDerWaalsContact C-N 3.27Å; P245-F247 PolarHBondContact O-N 2.86Å; F247-S251 WeakPolarHBondContact CD1-O 3.48Å; F247-Q252 HydrophobicContact CB-CB 4.13Å; F247-Q252 HydrophobicContact CG-CB 4.29Å; F247-V309 HydrophobicContact CE1-CG1 4.06Å; F247-H353 AromaticContact CZ-NE2 3.88Å
248S75.1Confident82.7Confident39 Ų3964.3 Ų64.327%0.27333%0.332SS..PPolyproline II helixtrans-64.4157.7167.966.20000110.3G250 S251 Q252S248-G250 PolarHBondContact O-N 2.63Å; S248-G250 VanDerWaalsContact O-N 3.09Å; S248-S251 PolarHBondContact N-OG 3.48Å; S248-S251 PolarHBondContact O-N 3.33Å; S248-S251 PolarHBondContact O-OG 2.93Å; S248-S251 WeakPolarHBondContact OG-CB 3.28Å; S248-S251 PolarHBondContact OG-OG 3.18Å; S248-Q252 PolarHBondContact O-OE1 2.91Å
249H73.5Confident82.4Confident189 Ų18961.6 Ų61.688%0.87531%0.313SS*.THydrogen-bonded Turntrans-55.9119.5-179.2-173.4-84.1000111.5
250G76.4Confident82.2Confident41 Ų4158.3 Ų58.342%0.42331%0.307SS..THydrogen-bonded Turntrans89.5-11.4179.700000114.8S248 Q252 Y253S248-G250 PolarHBondContact O-N 2.63Å; S248-G250 VanDerWaalsContact O-N 3.09Å; G250-Q252 VanDerWaalsContact C-N 3.3Å; G250-Q252 VanDerWaalsContact CA-OE1 3.27Å; G250-Q252 PolarHBondContact O-N 3.27Å; G250-Y253 WeakPolarHBondContact O-CD2 3.23Å
251S78Confident81.9Confident29 Ų2958.8 Ų58.820%0.20331%0.31CS..THydrogen-bonded Turntrans-86.14.2178.664.90000114F247 S248 Y253F247-S251 WeakPolarHBondContact CD1-O 3.48Å; S248-S251 PolarHBondContact N-OG 3.48Å; S248-S251 PolarHBondContact O-N 3.33Å; S248-S251 PolarHBondContact O-OG 2.93Å; S248-S251 WeakPolarHBondContact OG-CB 3.28Å; S248-S251 PolarHBondContact OG-OG 3.18Å; S251-Y253 VanDerWaalsContact C-N 3.26Å; S251-Y253 PolarHBondContact O-N 3.47Å
252Q83Confident81.7Confident45 Ų4560.1 Ų60.121%0.2132%0.32CS..THydrogen-bonded Turntrans-81.84.3-179.869.7-87.51400114.7G240 L241 F247 S248 G250G240-Q252 CarbonylContact C-O 3.6Å; G240-Q252 WeakPolarHBondContact CA-O 3.33Å; L241-Q252 PolarHBondContact N-O 2.91Å; F247-Q252 HydrophobicContact CB-CB 4.13Å; F247-Q252 HydrophobicContact CG-CB 4.29Å; S248-Q252 PolarHBondContact O-OE1 2.91Å; G250-Q252 VanDerWaalsContact C-N 3.3Å; G250-Q252 VanDerWaalsContact CA-OE1 3.27Å; G250-Q252 PolarHBondContact O-N 3.27Å
253Y87.3Confident81.6Confident96 Ų9655.1 Ų55.138%0.37630%0.302SS..PPolyproline II helixtrans-101.5136.3-177.8-63.9-86.7000110.8H237 S238 G240 G250 S251 V309H237-Y253 WeakPolarHBondContact O-CD1 3.49Å; H237-Y253 VanDerWaalsContact O-CE1 3.22Å; H237-Y253 WeakPolarHBondContact O-CE1 3.46Å; S238-Y253 PolarHBondContact O-OH 3.46Å; G240-Y253 VanDerWaalsContact N-CE1 3.32Å; G250-Y253 WeakPolarHBondContact O-CD2 3.23Å; S251-Y253 VanDerWaalsContact C-N 3.26Å; S251-Y253 PolarHBondContact O-N 3.47Å; Y253-V309 VanDerWaalsContact O-CG2 3.26Å; Y253-V309 WeakPolarHBondContact O-CG2 3.35Å
254L85.7Confident81.7Confident8 Ų850.5 Ų50.54%0.04228%0.277CS..PPolyproline II helixtrans-87.4141.6178.6-41.4169.9000112Y235 L241 A307 V309 H353 V355Y235-L254 HydrophobicContact CD1-CD1 3.67Å; Y235-L254 HydrophobicContact CD1-CG 4.36Å; Y235-L254 HydrophobicContact CD2-CD1 3.77Å; Y235-L254 HydrophobicContact CD2-CG 3.8Å; Y235-L254 HydrophobicContact CE1-CB 4.13Å; Y235-L254 HydrophobicContact CE1-CD1 3.74Å; Y235-L254 HydrophobicContact CE1-CG 4.07Å; Y235-L254 HydrophobicContact CE2-CB 4.01Å; Y235-L254 HydrophobicContact CE2-CD1 3.87Å; Y235-L254 HydrophobicContact CE2-CG 3.5Å; Y235-L254 VanDerWaalsContact CE2-CG 3.5Å; Y235-L254 HydrophobicContact CG-CD1 3.67Å; Y235-L254 HydrophobicContact CG-CG 4.22Å; Y235-L254 PolarHBondContact OH-N 3.14Å; Y235-L254 PolarHBondContact OH-O 2.79Å; Y235-L254 VanDerWaalsContact OH-O 3.1Å; L241-L254 HydrophobicContact CD1-CD2 3.72Å; L241-L254 HydrophobicContact CD2-CD1 4.31Å; L241-L254 HydrophobicContact CD2-CD2 3.84Å; L241-L254 HydrophobicContact CD2-CG 4.29Å; L241-L254 HydrophobicContact CG-CD2 3.83Å; L241-L254 HydrophobicContact CG-CG 4.39Å; L254-A307 HydrophobicContact CB-CB 3.9Å; L254-A307 HydrophobicContact CD1-CB 3.77Å; L254-V309 VanDerWaalsContact CA-CG2 3.5Å; L254-V309 HydrophobicContact CB-CG2 3.93Å; L254-V309 HydrophobicContact CD2-CB 3.37Å; L254-V309 HydrophobicContact CD2-CG2 3.14Å; L254-V309 HydrophobicContact CG-CG2 3.94Å; L254-H353 HydrophobicContact CD2-CB 3.83Å; L254-V355 HydrophobicContact CD1-CB 3.92Å; L254-V355 HydrophobicContact CD1-CG2 3.37Å
255L84.3Confident81.3Confident43 Ų4350 Ų5023%0.22528%0.277CS..EExtended strand (participates in β ladder)trans-72.7124.1175.1-61.7175.2000108.5A307 I308 A322 I325L255-A307 WeakPolarHBondContact O-CA 3.4Å; L255-I308 PolarHBondContact N-O 3.48Å; L255-I308 PolarHBondContact O-N 2.69Å; L255-A322 HydrophobicContact CB-CB 3.84Å; L255-I325 HydrophobicContact CD1-CD1 3.26Å
256P83.9Confident81.3Confident81 Ų8154.4 Ų54.453%0.52630%0.298SS..EExtended strand (participates in β ladder)trans-71.2135.7173.630.3-32.9000109.7A322P256-A322 VanDerWaalsContact O-CB 3.29Å; P256-A322 WeakPolarHBondContact O-CB 3.41Å
257W84.7Confident81.5Confident22 Ų2253.6 Ų53.68%0.08329%0.29CS..EExtended strand (participates in β ladder)trans-116.3106.8173.1-174.721.3000108.3V259 C305 V306 I308 A322 V326 L425 V427W257-V259 HydrophobicContact CD2-CG2 3.48Å; W257-V259 VanDerWaalsContact CD2-CG2 3.48Å; W257-V259 HydrophobicContact CE3-CG2 3.93Å; W257-V259 HydrophobicContact CG-CG2 3.87Å; W257-V259 HydrophobicContact CH2-CG2 4.15Å; W257-V259 HydrophobicContact CZ2-CG2 3.71Å; W257-V259 HydrophobicContact CZ3-CG2 4.25Å; W257-C305 CarbonylContact O-C 3.55Å; W257-C305 WeakPolarHBondContact O-CA 2.96Å; W257-V306 WeakPolarHBondContact CA-O 3.26Å; W257-V306 HydrophobicContact CB-CB 4.35Å; W257-V306 VanDerWaalsContact CB-O 3.27Å; W257-V306 WeakPolarHBondContact CB-O 3.26Å; W257-V306 HydrophobicContact CE3-CB 4.09Å; W257-V306 HydrophobicContact CE3-CG1 4.45Å; W257-V306 HydrophobicContact CE3-CG2 4.37Å; W257-V306 PolarHBondContact N-O 3.15Å; W257-V306 PolarHBondContact O-N 3.26Å; W257-I308 HydrophobicContact CB-CD1 4.12Å; W257-I308 HydrophobicContact CD2-CD1 4.14Å; W257-I308 HydrophobicContact CE3-CD1 3.52Å; W257-I308 HydrophobicContact CG-CD1 4.43Å; W257-I308 HydrophobicContact CZ3-CD1 4.29Å; W257-A322 HydrophobicContact CB-CB 3.57Å; W257-A322 HydrophobicContact CG-CB 4.18Å; W257-V326 HydrophobicContact CD2-CG2 4.19Å; W257-V326 HydrophobicContact CE3-CG2 4.25Å; W257-V326 HydrophobicContact CH2-CG1 3.66Å; W257-V326 HydrophobicContact CZ2-CB 4.25Å; W257-V326 HydrophobicContact CZ2-CG1 3.68Å; W257-V326 HydrophobicContact CZ3-CG1 4.21Å; W257-V326 HydrophobicContact CZ3-CG2 4.43Å; W257-L425 HydrophobicContact CH2-CB 4.37Å; W257-L425 WeakPolarHBondContact CH2-O 3.03Å; W257-L425 HydrophobicContact CZ3-CB 3.9Å; W257-V427 HydrophobicContact CE3-CG2 4.38Å; W257-V427 HydrophobicContact CH2-CG2 4.01Å; W257-V427 HydrophobicContact CZ3-CG2 3.75Å
258D82.4Confident81.4Confident79 Ų7951.7 Ų51.742%0.42228%0.281SS..EExtended strand (participates in β ladder)trans-90.8112.2179.1-71-32.6000109.1C305 E323D258-C305 WeakPolarHBondContact OD1-CB 3.39Å; D258-C305 PolarHBondContact OD1-SG 2.95Å; D258-E323 PolarHBondContact N-OE1 3.1Å
259V81.7Confident81.6Confident22 Ų2254.9 Ų54.913%0.13329%0.292CS..EExtended strand (participates in β ladder)trans-108.7116.7-176.9-170.90000110.5W257 V261 N303 A304 V427W257-V259 HydrophobicContact CD2-CG2 3.48Å; W257-V259 VanDerWaalsContact CD2-CG2 3.48Å; W257-V259 HydrophobicContact CE3-CG2 3.93Å; W257-V259 HydrophobicContact CG-CG2 3.87Å; W257-V259 HydrophobicContact CH2-CG2 4.15Å; W257-V259 HydrophobicContact CZ2-CG2 3.71Å; W257-V259 HydrophobicContact CZ3-CG2 4.25Å; V259-V261 HydrophobicContact CB-CG2 4.37Å; V259-V261 HydrophobicContact CG1-CG2 3.92Å; V259-V261 PolarHBondContact O-N 3.33Å; V259-N303 PolarHBondContact N-OD1 2.97Å; V259-N303 VanDerWaalsContact N-OD1 3.15Å; V259-N303 CarbonylContact O-C 3.6Å; V259-N303 WeakPolarHBondContact O-CA 3.02Å; V259-N303 PolarHBondContact O-OD1 2.98Å; V259-A304 PolarHBondContact N-O 2.86Å; V259-A304 PolarHBondContact O-N 3.09Å; V259-V427 HydrophobicContact CB-CG2 4.38Å; V259-V427 HydrophobicContact CG1-CB 4.18Å; V259-V427 HydrophobicContact CG1-CG2 4.35Å; V259-V427 HydrophobicContact CG2-CG2 3.93Å
260D81.3Confident82.1Confident91 Ų9152.3 Ų52.349%0.48728%0.28SS..EExtended strand (participates in β ladder)trans-73.1114.9167.5-85.5-8.5000109.2K292D260-K292 IonicContact OD2-NZ 3.33Å; D260-K292 PolarHBondContact OD2-NZ 2.78Å
261V80.8Confident82.3Confident9 Ų953.3 Ų53.36%0.05527%0.271CS..EExtended strand (participates in β ladder)trans-114.4128.8-179.8-169.80000109.7V259 V263 N301 M302 A304 V427 P429V259-V261 HydrophobicContact CB-CG2 4.37Å; V259-V261 HydrophobicContact CG1-CG2 3.92Å; V259-V261 PolarHBondContact O-N 3.33Å; V261-V263 HydrophobicContact CB-CG1 4.47Å; V261-V263 HydrophobicContact CG1-CG1 3.95Å; V261-N301 WeakPolarHBondContact O-CA 3.4Å; V261-M302 PolarHBondContact N-O 3.27Å; V261-M302 PolarHBondContact O-N 3.18Å; V261-A304 HydrophobicContact CG2-CB 4.24Å; V261-V427 HydrophobicContact CG2-CG1 4.13Å; V261-P429 HydrophobicContact CG1-CB 3.44Å; V261-P429 VanDerWaalsContact CG1-CB 3.44Å; V261-P429 HydrophobicContact CG1-CG 3.41Å; V261-P429 VanDerWaalsContact CG1-CG 3.41Å
262S82.3Confident82.3Confident41 Ų4154.7 Ų54.729%0.28728%0.275SS..EExtended strand (participates in β ladder)trans-78.7123.9172.6-173.10000109.8P433S262-P433 WeakPolarHBondContact O-CD 3.49Å
263V81.7Confident82.2Confident0 Ų058.5 Ų58.50%030%0.295CS..EExtended strand (participates in β ladder)trans-139154.6-178-60.70000112.2V261 G265 W268 T300 M302 P429 F431V261-V263 HydrophobicContact CB-CG1 4.47Å; V261-V263 HydrophobicContact CG1-CG1 3.95Å; V263-G265 PolarHBondContact O-N 3.06Å; V263-G265 VanDerWaalsContact O-N 3.11Å; V263-W268 HydrophobicContact CB-CE3 4.12Å; V263-W268 HydrophobicContact CG1-CE3 3.85Å; V263-W268 HydrophobicContact CG1-CZ3 3.97Å; V263-W268 HydrophobicContact CG2-CB 4.05Å; V263-W268 HydrophobicContact CG2-CD2 4.05Å; V263-W268 HydrophobicContact CG2-CE3 3.83Å; V263-W268 HydrophobicContact CG2-CG 4.17Å; V263-T300 WeakPolarHBondContact CG2-O 3.48Å; V263-T300 PolarHBondContact N-O 2.84Å; V263-T300 PolarHBondContact O-N 2.67Å; V263-T300 PolarHBondContact O-OG1 3.27Å; V263-M302 HydrophobicContact CG2-CB 3.94Å; V263-M302 HydrophobicContact CG2-CG 3.46Å; V263-M302 VanDerWaalsContact CG2-CG 3.46Å; V263-P429 HydrophobicContact CG1-CB 3.55Å; V263-P429 HydrophobicContact CG1-CG 4.35Å; V263-F431 CarbonylContact C-O 2.92Å; V263-F431 VanDerWaalsContact CA-O 3.23Å; V263-F431 WeakPolarHBondContact CA-O 3.49Å; V263-F431 WeakPolarHBondContact CB-O 3.45Å
264D83.5Confident81.9Confident23 Ų2361.5 Ų61.512%0.12331%0.31CS..EExtended strand (participates in β ladder)trans-61.1108.9163.4-177.4-28000109.2D266 K267 W268 F431D264-D266 VanDerWaalsContact C-N 3.29Å; D264-D266 PolarHBondContact O-N 3.06Å; D264-D266 PolarHBondContact OD1-N 2.8Å; D264-D266 VanDerWaalsContact OD1-N 3.12Å; D264-K267 HydrophobicContact CB-CB 4.26Å; D264-K267 HydrophobicContact CB-CD 4.26Å; D264-K267 HydrophobicContact CB-CG 4.36Å; D264-K267 PolarHBondContact O-N 3.33Å; D264-K267 PolarHBondContact OD1-N 2.93Å; D264-K267 WeakPolarHBondContact OD2-CD 3.48Å; D264-K267 WeakPolarHBondContact OD2-CE 3.41Å; D264-W268 WeakPolarHBondContact O-CB 3.31Å; D264-W268 PolarHBondContact O-N 2.87Å; D264-F431 HydrophobicContact CB-CB 4.37Å; D264-F431 PolarHBondContact N-O 2.92Å
265G79Confident81.4Confident8 Ų862 Ų628%0.08231%0.313CS..Hα-helixtrans-64.8-29.9-172.600000114.3V263 Q269 T300V263-G265 PolarHBondContact O-N 3.06Å; V263-G265 VanDerWaalsContact O-N 3.11Å; G265-Q269 WeakPolarHBondContact O-CB 3.25Å; G265-Q269 VanDerWaalsContact O-CG 3.24Å; G265-Q269 WeakPolarHBondContact O-CG 3.42Å; G265-Q269 PolarHBondContact O-N 2.98Å; G265-Q269 VanDerWaalsContact O-N 3.13Å; G265-T300 WeakPolarHBondContact CA-OG1 3.36Å; G265-T300 PolarHBondContact N-OG1 2.81Å
266D83.7Confident80.4Confident127 Ų12760.5 Ų60.568%0.67931%0.308SS*.Hα-helixtrans-75.8-46.1-178.5-68.9-25.8000109.9D264 W268 Q269 E270D264-D266 VanDerWaalsContact C-N 3.29Å; D264-D266 PolarHBondContact O-N 3.06Å; D264-D266 PolarHBondContact OD1-N 2.8Å; D264-D266 VanDerWaalsContact OD1-N 3.12Å; D266-W268 VanDerWaalsContact C-N 3.35Å; D266-W268 PolarHBondContact O-N 2.92Å; D266-Q269 PolarHBondContact O-N 2.93Å; D266-E270 WeakPolarHBondContact O-CB 3.45Å; D266-E270 PolarHBondContact O-N 3.36Å
267K83.2Confident79Confident88 Ų8861.8 Ų61.838%0.38332%0.315SS..Hα-helixtrans-62.2-41.1175.2-69.1-176-176.9177.30112.3D264 E270 W271 F431D264-K267 HydrophobicContact CB-CB 4.26Å; D264-K267 HydrophobicContact CB-CD 4.26Å; D264-K267 HydrophobicContact CB-CG 4.36Å; D264-K267 PolarHBondContact O-N 3.33Å; D264-K267 PolarHBondContact OD1-N 2.93Å; D264-K267 WeakPolarHBondContact OD2-CD 3.48Å; D264-K267 WeakPolarHBondContact OD2-CE 3.41Å; K267-E270 PolarHBondContact O-N 3.12Å; K267-W271 WeakPolarHBondContact O-CB 3.29Å; K267-W271 PolarHBondContact O-N 2.78Å; K267-F431 HydrophobicContact CB-CB 4.13Å; K267-F431 HydrophobicContact CB-CD1 4.11Å; K267-F431 HydrophobicContact CB-CD2 4.19Å; K267-F431 HydrophobicContact CB-CG 3.87Å; K267-F431 HydrophobicContact CD-CB 4.31Å; K267-F431 HydrophobicContact CD-CD1 3.94Å; K267-F431 HydrophobicContact CD-CG 4.3Å
268W78.2Confident77.6Confident4 Ų466.6 Ų66.62%0.01534%0.341CS..Hα-helixtrans-62.8-44.4177-175-82.4000111.8V263 D264 D266 W271 Q272 M302 A359 P360 V361V263-W268 HydrophobicContact CB-CE3 4.12Å; V263-W268 HydrophobicContact CG1-CE3 3.85Å; V263-W268 HydrophobicContact CG1-CZ3 3.97Å; V263-W268 HydrophobicContact CG2-CB 4.05Å; V263-W268 HydrophobicContact CG2-CD2 4.05Å; V263-W268 HydrophobicContact CG2-CE3 3.83Å; V263-W268 HydrophobicContact CG2-CG 4.17Å; D264-W268 WeakPolarHBondContact O-CB 3.31Å; D264-W268 PolarHBondContact O-N 2.87Å; D266-W268 VanDerWaalsContact C-N 3.35Å; D266-W268 PolarHBondContact O-N 2.92Å; W268-W271 PolarHBondContact O-N 3.38Å; W268-Q272 WeakPolarHBondContact O-CG 3.16Å; W268-Q272 PolarHBondContact O-N 3.31Å; W268-M302 HydrophobicContact CD2-CB 4.45Å; W268-M302 HydrophobicContact CD2-CG 4.11Å; W268-M302 HydrophobicContact CG-CG 4.17Å; W268-M302 HydrophobicContact CH2-CB 4.38Å; W268-M302 HydrophobicContact CZ2-CB 4.07Å; W268-M302 HydrophobicContact CZ2-CG 4.46Å; W268-A359 HydrophobicContact CH2-CB 3.94Å; W268-A359 HydrophobicContact CZ2-CB 4.27Å; W268-P360 HydrophobicContact CD2-CG 4.07Å; W268-P360 HydrophobicContact CE3-CG 3.48Å; W268-P360 VanDerWaalsContact CE3-CG 3.48Å; W268-P360 HydrophobicContact CH2-CG 3.98Å; W268-P360 HydrophobicContact CZ2-CG 4.47Å; W268-P360 HydrophobicContact CZ3-CG 3.44Å; W268-P360 VanDerWaalsContact CZ3-CG 3.44Å; W268-V361 HydrophobicContact CH2-CG1 4.03Å; W268-V361 HydrophobicContact CZ3-CG1 3.98Å
269Q79.7Confident76.2Confident106 Ų10668.1 Ų68.150%0.49534%0.342SS..Hα-helixtrans-64.9-41.9177-76.4177.437.400112.1G265 D266 W271 Q272 I273G265-Q269 WeakPolarHBondContact O-CB 3.25Å; G265-Q269 VanDerWaalsContact O-CG 3.24Å; G265-Q269 WeakPolarHBondContact O-CG 3.42Å; G265-Q269 PolarHBondContact O-N 2.98Å; G265-Q269 VanDerWaalsContact O-N 3.13Å; D266-Q269 PolarHBondContact O-N 2.93Å; Q269-W271 VanDerWaalsContact C-N 3.33Å; Q269-W271 PolarHBondContact O-N 3.05Å; Q269-Q272 WeakPolarHBondContact O-CB 3.32Å; Q269-Q272 PolarHBondContact O-N 3.08Å; Q269-I273 WeakPolarHBondContact O-CG1 3.49Å; Q269-I273 PolarHBondContact O-N 3.1Å
270E83.4Confident74.6Confident135 Ų13568.5 Ų68.563%0.63135%0.346SS*.Hα-helixtrans-58.6-46.5174.8-174.5-179.8-171.800111D266 K267 Q272 I273 K274D266-E270 WeakPolarHBondContact O-CB 3.45Å; D266-E270 PolarHBondContact O-N 3.36Å; K267-E270 PolarHBondContact O-N 3.12Å; E270-Q272 VanDerWaalsContact C-N 3.32Å; E270-Q272 PolarHBondContact O-N 2.89Å; E270-I273 PolarHBondContact O-N 2.99Å; E270-K274 WeakPolarHBondContact O-CB 3.44Å; E270-K274 PolarHBondContact O-N 2.88Å
271W81.5Confident73Confident63 Ų6376.7 Ų76.724%0.23937%0.37CS..Hα-helixtrans-59.2-43174.6178.593.1000111.8K267 W268 Q269 I273 K274 T275 K358 P360 F431K267-W271 WeakPolarHBondContact O-CB 3.29Å; K267-W271 PolarHBondContact O-N 2.78Å; W268-W271 PolarHBondContact O-N 3.38Å; Q269-W271 VanDerWaalsContact C-N 3.33Å; Q269-W271 PolarHBondContact O-N 3.05Å; W271-I273 PolarHBondContact O-N 3.45Å; W271-K274 PolarHBondContact O-N 2.93Å; W271-T275 HydrophobicContact CH2-CG2 3.91Å; W271-T275 HydrophobicContact CZ2-CG2 3.68Å; W271-T275 PolarHBondContact NE1-OG1 3.23Å; W271-T275 WeakPolarHBondContact O-CB 3.36Å; W271-T275 PolarHBondContact O-N 3.03Å; W271-T275 PolarHBondContact O-OG1 3.37Å; W271-K358 WeakPolarHBondContact CH2-O 3.05Å; W271-P360 HydrophobicContact CD2-CB 3.92Å; W271-P360 HydrophobicContact CD2-CG 3.66Å; W271-P360 HydrophobicContact CE3-CG 3.8Å; W271-P360 HydrophobicContact CG-CB 4.11Å; W271-P360 HydrophobicContact CG-CG 4.04Å; W271-P360 HydrophobicContact CZ2-CB 4.25Å; W271-P360 HydrophobicContact CZ2-CG 4.38Å; W271-P360 HydrophobicContact CZ3-CG 4.27Å; W271-F431 HydrophobicContact CB-CE2 4Å; W271-F431 HydrophobicContact CB-CZ 4.48Å; W271-F431 HydrophobicContact CG-CE2 4.26Å
272Q78Confident71.1Confident58 Ų5879.6 Ų79.627%0.27140%0.402SS..Hα-helixtrans-63.2-39.6177.7-76.3-177.3-39.500112.4W268 Q269 E270 G276W268-Q272 WeakPolarHBondContact O-CG 3.16Å; W268-Q272 PolarHBondContact O-N 3.31Å; Q269-Q272 WeakPolarHBondContact O-CB 3.32Å; Q269-Q272 PolarHBondContact O-N 3.08Å; E270-Q272 VanDerWaalsContact C-N 3.32Å; E270-Q272 PolarHBondContact O-N 2.89Å; Q272-G276 VanDerWaalsContact O-CA 3.31Å; Q272-G276 WeakPolarHBondContact O-CA 3.5Å; Q272-G276 PolarHBondContact O-N 2.88Å
273I80.1Confident69.1Low125 Ų12582.5 Ų82.564%0.64142%0.418SS*.Hα-helixtrans-66.2-48.2176.9-67.5165.1000109.9Q269 E270 W271 T275 T277Q269-I273 WeakPolarHBondContact O-CG1 3.49Å; Q269-I273 PolarHBondContact O-N 3.1Å; E270-I273 PolarHBondContact O-N 2.99Å; W271-I273 PolarHBondContact O-N 3.45Å; I273-T275 VanDerWaalsContact C-N 3.33Å; I273-T275 PolarHBondContact O-N 3.11Å; I273-T277 WeakPolarHBondContact O-CG2 3.38Å; I273-T277 PolarHBondContact O-N 3.07Å; I273-T277 PolarHBondContact O-OG1 3.34Å
274K80.7Confident66.8Low159 Ų15987.8 Ų87.869%0.69145%0.452SS*.Hα-helixtrans-65.8-34.8-179-174.5178179.4179.40113.2E270 W271 T277E270-K274 WeakPolarHBondContact O-CB 3.44Å; E270-K274 PolarHBondContact O-N 2.88Å; W271-K274 PolarHBondContact O-N 2.93Å; K274-T277 PolarHBondContact O-OG1 2.99Å
275T75.1Confident64.8Low18 Ų1891.6 Ų91.611%0.1147%0.472CS..Hα-helixtrans-94.6-30.1-174.3-54.60000111.8W271 I273 T277 L278 Y279W271-T275 HydrophobicContact CH2-CG2 3.91Å; W271-T275 HydrophobicContact CZ2-CG2 3.68Å; W271-T275 PolarHBondContact NE1-OG1 3.23Å; W271-T275 WeakPolarHBondContact O-CB 3.36Å; W271-T275 PolarHBondContact O-N 3.03Å; W271-T275 PolarHBondContact O-OG1 3.37Å; I273-T275 VanDerWaalsContact C-N 3.33Å; I273-T275 PolarHBondContact O-N 3.11Å; T275-T277 VanDerWaalsContact C-N 3.3Å; T275-T277 PolarHBondContact O-N 3.26Å; T275-L278 WeakPolarHBondContact O-CA 3.22Å; T275-L278 WeakPolarHBondContact O-CB 3.18Å; T275-L278 PolarHBondContact O-N 2.86Å; T275-Y279 HydrophobicContact CG2-CD2 3.38Å; T275-Y279 HydrophobicContact CG2-CE2 3.12Å; T275-Y279 WeakPolarHBondContact O-CD2 3.45Å; T275-Y279 PolarHBondContact O-N 3.43Å
276G62.9Low62.8Low12 Ų12100 Ų10012%0.12451%0.506CS..Hα-helixtrans-63.2-35.3173.100000112.5Q272 L278 S280Q272-G276 VanDerWaalsContact O-CA 3.31Å; Q272-G276 WeakPolarHBondContact O-CA 3.5Å; Q272-G276 PolarHBondContact O-N 2.88Å; G276-L278 PolarHBondContact O-N 3.23Å; G276-S280 VanDerWaalsContact O-CB 3.3Å; G276-S280 WeakPolarHBondContact O-CB 3.25Å; G276-S280 PolarHBondContact O-N 3.12Å; G276-S280 VanDerWaalsContact O-N 3.09Å
277T56.2Low60.7Low108 Ų108103.9 Ų103.966%0.66352%0.517SS*.Hα-helixtrans-66.2-23.8170.549.10000113I273 K274 T275I273-T277 WeakPolarHBondContact O-CG2 3.38Å; I273-T277 PolarHBondContact O-N 3.07Å; I273-T277 PolarHBondContact O-OG1 3.34Å; K274-T277 PolarHBondContact O-OG1 2.99Å; T275-T277 VanDerWaalsContact C-N 3.3Å; T275-T277 PolarHBondContact O-N 3.26Å
278L54.9Low58.5Low122 Ų122104 Ų10464%0.63953%0.529SS*.Hα-helixtrans-85.9-44.3179.3-162.973.1000112.7T275 G276T275-L278 WeakPolarHBondContact O-CA 3.22Å; T275-L278 WeakPolarHBondContact O-CB 3.18Å; T275-L278 PolarHBondContact O-N 2.86Å; G276-L278 PolarHBondContact O-N 3.23Å
279Y51.8Low56.8Low112 Ų112107.6 Ų107.644%0.43955%0.545SS..Hα-helixtrans-79.4-25.4-179-73.5-56.3000113.7T275 S389T275-Y279 HydrophobicContact CG2-CD2 3.38Å; T275-Y279 HydrophobicContact CG2-CE2 3.12Å; T275-Y279 WeakPolarHBondContact O-CD2 3.45Å; T275-Y279 PolarHBondContact O-N 3.43Å; Y279-S389 PolarHBondContact OH-OG 3.34Å
280S48.8Very low54.9Low30 Ų30111 Ų11121%0.2156%0.56CS.*  trans-110.8113.2-179.4-72.30000110.8G276 G282 V283G276-S280 VanDerWaalsContact O-CB 3.3Å; G276-S280 WeakPolarHBondContact O-CB 3.25Å; G276-S280 PolarHBondContact O-N 3.12Å; G276-S280 VanDerWaalsContact O-N 3.09Å; S280-G282 PolarHBondContact O-N 2.78Å; S280-V283 WeakPolarHBondContact CB-O 3.28Å; S280-V283 PolarHBondContact OG-O 3.48Å
281R47.9Very low52.7Low262 Ų262110.1 Ų110.199%0.98955%0.554SS**SBendtrans-63.962.1154.6-66.3176.781.5123.1-2.4109.9
282G40.4Very low50.7Low71 Ų71112.5 Ų112.573%0.73257%0.567SS**SBendtrans99.38.7169.600000118.5S280S280-G282 PolarHBondContact O-N 2.78Å
283V40.1Very low48.8Very low102 Ų102122.2 Ų122.262%0.61860%0.601SS**  trans-116.9107.3177.3-169.40000111.7S280 L285S280-V283 WeakPolarHBondContact CB-O 3.28Å; S280-V283 PolarHBondContact OG-O 3.48Å; V283-L285 PolarHBondContact O-N 2.97Å
284P34Very low47Very low111 Ų111120.2 Ų120.272%0.72161%0.611SS**PPolyproline II helixtrans-52.9131.5175.5-22.531.9000110.9K286P284-K286 PolarHBondContact O-N 3.01Å
285L42Very low45.1Very low103 Ų103114.8 Ų114.854%0.53959%0.593SS.*PPolyproline II helixtrans-52.2127.2168.7-89.7101.9000107.8V283 K287V283-L285 PolarHBondContact O-N 2.97Å; L285-K287 PolarHBondContact O-N 2.91Å
286K37Very low43.5Very low185 Ų185116 Ų11680%0.80460%0.602SS**PPolyproline II helixtrans-51.5126.6179.7-82.4-177.9175.2178.50108.9P284 S288P284-K286 PolarHBondContact O-N 3.01Å; K286-S288 PolarHBondContact O-N 3.21Å
287K38.4Very low42.5Very low208 Ų208122.3 Ų122.390%0.90463%0.632SS**  trans-66.839175.9-64.6-179.2175.61790113L285 F289L285-K287 PolarHBondContact O-N 2.91Å; K287-F289 PolarHBondContact O-N 3.28Å
288S38.3Very low41.9Very low91 Ų91123.5 Ų123.564%0.63663%0.625SS**  trans-79.859.8174.760.90000109.8K286K286-S288 PolarHBondContact O-N 3.21Å
289F42.1Very low41.4Very low79 Ų79119.8 Ų119.835%0.34661%0.606SS.*  trans-126.4103.5172-79.3-88.3000107.3K287 K291 M302 N303K287-F289 PolarHBondContact O-N 3.28Å; F289-K291 PolarHBondContact O-N 3.28Å; F289-M302 HydrophobicContact CB-SD 3.99Å; F289-M302 HydrophobicContact CD1-CB 4.46Å; F289-M302 HydrophobicContact CD1-SD 3.59Å; F289-M302 VanDerWaalsContact CD1-SD 3.59Å; F289-M302 HydrophobicContact CE1-SD 4.44Å; F289-M302 HydrophobicContact CG-SD 4.08Å; F289-N303 VanDerWaalsContact CE1-O 3.31Å; F289-N303 WeakPolarHBondContact CE1-O 3.22Å
290H38.3Very low41.6Very low176 Ų176114.9 Ų114.982%0.81559%0.587SS**  trans-78108.5178.3-80.1-76.5000109.1K292H290-K292 PolarHBondContact O-N 3.2Å
291K37.5Very low41.9Very low117 Ų117115.8 Ų115.851%0.50959%0.59SS.*  trans-58.9109.6160.4-172.3168-176.1164.70107.4F289 R293 T300F289-K291 PolarHBondContact O-N 3.28Å; K291-R293 PolarHBondContact O-N 3.1Å; K291-R293 VanDerWaalsContact O-N 3.15Å; K291-T300 HydrophobicContact CD-CG2 4.08Å; K291-T300 HydrophobicContact CG-CG2 4.11Å
292K39.4Very low42.6Very low114 Ų114104.2 Ų104.250%0.49655%0.547SS..  trans-55119.2173.1-99.8172.9177161.30108.2D260 H290 G294D260-K292 IonicContact OD2-NZ 3.33Å; D260-K292 PolarHBondContact OD2-NZ 2.78Å; H290-K292 PolarHBondContact O-N 3.2Å; K292-G294 PolarHBondContact O-N 2.95Å
293R38.1Very low43.5Very low261 Ų261103.4 Ų103.499%0.98553%0.526SS*.THydrogen-bonded Turntrans-60.1122.5173.9-94.5-179.7168160.3-3.9108.4K291K291-R293 PolarHBondContact O-N 3.1Å; K291-R293 VanDerWaalsContact O-N 3.15Å
294G43.1Very low44.2Very low84 Ų8498.7 Ų98.787%0.86650%0.498SS*.THydrogen-bonded Turntrans108.4-4.617400000115.8K292K292-G294 PolarHBondContact O-N 2.95Å
295S40.7Very low45.2Very low44 Ų4496.7 Ų96.731%0.30849%0.486SS..SBendtrans-77.1144.2169.2-157.40000110.2D299S295-D299 WeakPolarHBondContact CB-O 3.46Å; S295-D299 PolarHBondContact OG-O 3.12Å
296S42.2Very low46.2Very low44 Ų4491.9 Ų91.931%0.30846%0.461SS..  trans-50.1150.5177.2-173.80000111.2W298 D299S296-W298 PolarHBondContact O-N 3.31Å; S296-W298 WeakPolarHBondContact OG-CZ2 3.32Å; S296-W298 PolarHBondContact OG-NE1 3Å; S296-D299 PolarHBondContact O-N 3.23Å
297L42.2Very low47.2Very low144 Ų14483.8 Ų83.875%0.75443%0.428SS*.THydrogen-bonded Turntrans-50.9-29.5-175.1-17567000113.1
298W42Very low48Very low133 Ų13374.5 Ų74.550%0.50439%0.389SS..THydrogen-bonded Turntrans-95-15.4-178.143.670.4000115.7S296 K436S296-W298 PolarHBondContact O-N 3.31Å; S296-W298 WeakPolarHBondContact OG-CZ2 3.32Å; S296-W298 PolarHBondContact OG-NE1 3Å; W298-K436 VanDerWaalsContact CE2-CE 3.48Å; W298-K436 HydrophobicContact CZ2-CD 4.48Å
299D45.3Very low48.9Very low45 Ų4570.5 Ų70.524%0.24136%0.36CS..EExtended strand (participates in β ladder)trans-107.597.7-179.6-61.6-43.3000109.2S295 S296 P433S295-D299 WeakPolarHBondContact CB-O 3.46Å; S295-D299 PolarHBondContact OG-O 3.12Å; S296-D299 PolarHBondContact O-N 3.23Å; D299-P433 VanDerWaalsContact OD1-CB 3.23Å; D299-P433 WeakPolarHBondContact OD1-CB 3.31Å
300T55.2Low49.5Very low8 Ų867.4 Ų67.45%0.04935%0.348CS..EExtended strand (participates in β ladder)trans-102.6115.1170.450.30000110.1V263 G265 K291 M302V263-T300 WeakPolarHBondContact CG2-O 3.48Å; V263-T300 PolarHBondContact N-O 2.84Å; V263-T300 PolarHBondContact O-N 2.67Å; V263-T300 PolarHBondContact O-OG1 3.27Å; G265-T300 WeakPolarHBondContact CA-OG1 3.36Å; G265-T300 PolarHBondContact N-OG1 2.81Å; K291-T300 HydrophobicContact CD-CG2 4.08Å; K291-T300 HydrophobicContact CG-CG2 4.11Å; T300-M302 HydrophobicContact CG2-CE 4.45Å; T300-M302 PolarHBondContact O-N 2.89Å
301N55.4Low49.8Very low50 Ų5061.3 Ų61.327%0.26733%0.325SS..EExtended strand (participates in β ladder)trans-70.9117.1168.9-68.6-11.6000109V261V261-N301 WeakPolarHBondContact O-CA 3.4Å
302M63.4Low50.3Low18 Ų1857.1 Ų57.19%0.08931%0.307CS..EExtended strand (participates in β ladder)trans-106.3151.3173-68.3-63.3119.100109.4V261 V263 W268 F289 T300V261-M302 PolarHBondContact N-O 3.27Å; V261-M302 PolarHBondContact O-N 3.18Å; V263-M302 HydrophobicContact CG2-CB 3.94Å; V263-M302 HydrophobicContact CG2-CG 3.46Å; V263-M302 VanDerWaalsContact CG2-CG 3.46Å; W268-M302 HydrophobicContact CD2-CB 4.45Å; W268-M302 HydrophobicContact CD2-CG 4.11Å; W268-M302 HydrophobicContact CG-CG 4.17Å; W268-M302 HydrophobicContact CH2-CB 4.38Å; W268-M302 HydrophobicContact CZ2-CB 4.07Å; W268-M302 HydrophobicContact CZ2-CG 4.46Å; F289-M302 HydrophobicContact CB-SD 3.99Å; F289-M302 HydrophobicContact CD1-CB 4.46Å; F289-M302 HydrophobicContact CD1-SD 3.59Å; F289-M302 VanDerWaalsContact CD1-SD 3.59Å; F289-M302 HydrophobicContact CE1-SD 4.44Å; F289-M302 HydrophobicContact CG-SD 4.08Å; T300-M302 HydrophobicContact CG2-CE 4.45Å; T300-M302 PolarHBondContact O-N 2.89Å
303N58.1Low50.3Low54 Ų5453.5 Ų53.529%0.28930%0.302SS..EExtended strand (participates in β ladder)trans-101.3128.9179.1-172.8-0000110.8V259 F289V259-N303 PolarHBondContact N-OD1 2.97Å; V259-N303 VanDerWaalsContact N-OD1 3.15Å; V259-N303 CarbonylContact O-C 3.6Å; V259-N303 WeakPolarHBondContact O-CA 3.02Å; V259-N303 PolarHBondContact O-OD1 2.98Å; F289-N303 VanDerWaalsContact CE1-O 3.31Å; F289-N303 WeakPolarHBondContact CE1-O 3.22Å
304A55.4Low50.5Low3 Ų349.5 Ų49.53%0.02529%0.287CS..EExtended strand (participates in β ladder)trans-112.9115.3171.900000110V259 V261 P357 V361V259-A304 PolarHBondContact N-O 2.86Å; V259-A304 PolarHBondContact O-N 3.09Å; V261-A304 HydrophobicContact CG2-CB 4.24Å; A304-P357 HydrophobicContact CB-CG 4.39Å; A304-V361 HydrophobicContact CB-CG1 4.19Å; A304-V361 HydrophobicContact CB-CG2 4.16Å
305C55.2Low50.4Low70 Ų7047.1 Ų47.147%0.47325%0.254SS..EExtended strand (participates in β ladder)trans-87.2109.1178.4-47.70000110.7W257 D258 P357W257-C305 CarbonylContact O-C 3.55Å; W257-C305 WeakPolarHBondContact O-CA 2.96Å; D258-C305 WeakPolarHBondContact OD1-CB 3.39Å; D258-C305 PolarHBondContact OD1-SG 2.95Å; C305-P357 WeakPolarHBondContact O-CB 3.38Å
306V62.5Low50.4Low1 Ų149.8 Ų49.81%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-99.1136.2172.8-174.50000108.5W257 I308 V354 P357 V363 V427W257-V306 WeakPolarHBondContact CA-O 3.26Å; W257-V306 HydrophobicContact CB-CB 4.35Å; W257-V306 VanDerWaalsContact CB-O 3.27Å; W257-V306 WeakPolarHBondContact CB-O 3.26Å; W257-V306 HydrophobicContact CE3-CB 4.09Å; W257-V306 HydrophobicContact CE3-CG1 4.45Å; W257-V306 HydrophobicContact CE3-CG2 4.37Å; W257-V306 PolarHBondContact N-O 3.15Å; W257-V306 PolarHBondContact O-N 3.26Å; V306-I308 HydrophobicContact CG1-CD1 4.34Å; V306-I308 HydrophobicContact CG1-CG1 4.05Å; V306-V354 HydrophobicContact CG1-CG1 4.05Å; V306-P357 HydrophobicContact CG2-CG 4.32Å; V306-V363 HydrophobicContact CG1-CG1 4.47Å; V306-V363 HydrophobicContact CG1-CG2 4.14Å; V306-V363 HydrophobicContact CG2-CG2 3.82Å; V306-V427 HydrophobicContact CG2-CG2 3.9Å
307A57.6Low50.6Low15 Ų1549.2 Ų49.212%0.12426%0.258CS..EExtended strand (participates in β ladder)trans-107.7127.7177.300000110.8Y235 L254 L255 V355Y235-A307 HydrophobicContact CD1-CB 4.28Å; Y235-A307 HydrophobicContact CE1-CB 3.77Å; L254-A307 HydrophobicContact CB-CB 3.9Å; L254-A307 HydrophobicContact CD1-CB 3.77Å; L255-A307 WeakPolarHBondContact O-CA 3.4Å; A307-V355 HydrophobicContact CB-CB 4.31Å; A307-V355 PolarHBondContact N-O 2.83Å; A307-V355 VanDerWaalsContact N-O 3.15Å; A307-V355 PolarHBondContact O-N 3.25Å
308I55.1Low50.7Low14 Ų1449 Ų497%0.07226%0.257CS..EExtended strand (participates in β ladder)trans-129.8132.4-171.7-55159.7000111L255 W257 V306 V326 I352 H353 L425L255-I308 PolarHBondContact N-O 3.48Å; L255-I308 PolarHBondContact O-N 2.69Å; W257-I308 HydrophobicContact CB-CD1 4.12Å; W257-I308 HydrophobicContact CD2-CD1 4.14Å; W257-I308 HydrophobicContact CE3-CD1 3.52Å; W257-I308 HydrophobicContact CG-CD1 4.43Å; W257-I308 HydrophobicContact CZ3-CD1 4.29Å; V306-I308 HydrophobicContact CG1-CD1 4.34Å; V306-I308 HydrophobicContact CG1-CG1 4.05Å; I308-V326 HydrophobicContact CD1-CG2 3.87Å; I308-I352 HydrophobicContact CG2-CG2 4.29Å; I308-H353 WeakPolarHBondContact CA-O 3.49Å; I308-L425 HydrophobicContact CD1-CD1 3.42Å; I308-L425 VanDerWaalsContact CD1-CD1 3.42Å; I308-L425 HydrophobicContact CG1-CD1 3.92Å; I308-L425 HydrophobicContact CG2-CD1 3.98Å
309V59Low51.1Low7 Ų751.8 Ų51.84%0.04228%0.276CS..EExtended strand (participates in β ladder)trans-110.2125161.1157.40000107.9F247 Y253 L254 C311 H353F247-V309 HydrophobicContact CE1-CG1 4.06Å; Y253-V309 VanDerWaalsContact O-CG2 3.26Å; Y253-V309 WeakPolarHBondContact O-CG2 3.35Å; L254-V309 VanDerWaalsContact CA-CG2 3.5Å; L254-V309 HydrophobicContact CB-CG2 3.93Å; L254-V309 HydrophobicContact CD2-CB 3.37Å; L254-V309 HydrophobicContact CD2-CG2 3.14Å; L254-V309 HydrophobicContact CG-CG2 3.94Å; V309-C311 HydrophobicContact CG1-CB 4.49Å; V309-H353 HydrophobicContact CB-CB 4.11Å; V309-H353 PolarHBondContact N-O 3.2Å; V309-H353 PolarHBondContact O-N 2.98Å; V309-H353 VanDerWaalsContact O-N 3.13Å
310S52.8Low51.7Low14 Ų1453.7 Ų53.710%0.09828%0.283CS..EExtended strand (participates in β ladder)trans-90.1129.1145.1173.10000106.8F312 M330S310-F312 VanDerWaalsContact O-CD2 3.28Å; S310-F312 WeakPolarHBondContact O-CD2 3.44Å; S310-F312 PolarHBondContact O-N 2.75Å; S310-F312 VanDerWaalsContact OG-CE2 3.23Å; S310-F312 WeakPolarHBondContact OG-CE2 3.4Å; S310-F312 WeakPolarHBondContact OG-CZ 3.15Å; S310-M330 PolarHBondContact OG-SD 2.76Å
311C46.2Very low52.2Low47 Ų4759.7 Ų59.732%0.31831%0.309SS..  trans-7171.6-171.4-53.30000110.7V309 G313 R351V309-C311 HydrophobicContact CG1-CB 4.49Å; C311-G313 PolarHBondContact O-N 2.84Å; C311-R351 PolarHBondContact SG-O 2.73Å
312F47.4Very low53.1Low29 Ų2957.4 Ų57.413%0.12730%0.297CS..  trans-85.3102.1177.3-65.8-70.2000109.3S310 R314 L315 L317 I325 M330 F334S310-F312 VanDerWaalsContact O-CD2 3.28Å; S310-F312 WeakPolarHBondContact O-CD2 3.44Å; S310-F312 PolarHBondContact O-N 2.75Å; S310-F312 VanDerWaalsContact OG-CE2 3.23Å; S310-F312 WeakPolarHBondContact OG-CE2 3.4Å; S310-F312 WeakPolarHBondContact OG-CZ 3.15Å; F312-R314 PolarHBondContact O-N 3.15Å; F312-L315 HydrophobicContact CB-CB 4.26Å; F312-L315 HydrophobicContact CD1-CB 4.47Å; F312-L317 HydrophobicContact CE2-CD2 4.3Å; F312-I325 HydrophobicContact CE2-CD1 4.44Å; F312-M330 HydrophobicContact CE1-CG 4.4Å; F312-M330 HydrophobicContact CE1-SD 4.21Å; F312-M330 HydrophobicContact CE2-SD 4.09Å; F312-M330 HydrophobicContact CZ-CG 3.92Å; F312-M330 HydrophobicContact CZ-SD 3.41Å; F312-M330 WeakPolarHBondContact CZ-SD 3.35Å; F312-F334 HydrophobicContact CD1-CD1 4.4Å; F312-F334 HydrophobicContact CD1-CE1 4.06Å; F312-F334 HydrophobicContact CD1-CZ 4.19Å; F312-F334 HydrophobicContact CE1-CD1 4.2Å; F312-F334 AromaticContact CE1-CE1 3.44Å; F312-F334 HydrophobicContact CE1-CE1 3.44Å; F312-F334 VanDerWaalsContact CE1-CE1 3.44Å; F312-F334 HydrophobicContact CE1-CE2 4.18Å; F312-F334 AromaticContact CE1-CZ 3.42Å; F312-F334 HydrophobicContact CE1-CZ 3.42Å; F312-F334 VanDerWaalsContact CE1-CZ 3.42Å; F312-F334 HydrophobicContact CZ-CE1 4.5Å; F312-F334 HydrophobicContact CZ-CZ 4.31Å
313G40.1Very low53.9Low39 Ų3958.3 Ų58.340%0.40230%0.301SS..SBendtrans-64.3101.4166.300000109.4C311 L315 S337C311-G313 PolarHBondContact O-N 2.84Å; G313-L315 PolarHBondContact O-N 2.7Å; G313-S337 PolarHBondContact O-OG 2.84Å
314R41.3Very low54.7Low177 Ų17759.5 Ų59.567%0.66831%0.307SS*.SBendtrans50.817.8171.9-74-168.6-171.8176.82.4117.6F312 N316F312-R314 PolarHBondContact O-N 3.15Å; R314-N316 PolarHBondContact O-N 2.85Å
315L40.3Very low55.8Low34 Ų3460.8 Ų60.818%0.17831%0.313CS..  trans-61.9118.4154.9-106.3101.5000104.7I147 F312 G313 L317 F334I147-L315 HydrophobicContact CD1-CD2 4.13Å; I147-L315 HydrophobicContact CG1-CD2 4.25Å; I147-L315 HydrophobicContact CG2-CD2 3.72Å; I147-L315 HydrophobicContact CG2-CG 4.19Å; F312-L315 HydrophobicContact CB-CB 4.26Å; F312-L315 HydrophobicContact CD1-CB 4.47Å; G313-L315 PolarHBondContact O-N 2.7Å; L315-L317 HydrophobicContact CB-CD1 3.79Å; L315-L317 HydrophobicContact CD2-CD1 3.52Å; L315-L317 HydrophobicContact CG-CD1 4.29Å; L315-L317 PolarHBondContact O-N 2.82Å; L315-F334 HydrophobicContact CD1-CB 4.46Å; L315-F334 HydrophobicContact CD1-CD1 4.13Å
316N42.4Very low57Low100 Ų10058.1 Ų58.154%0.53530%0.295SS..  trans-6545.3172.1-69.3-35.5000110.7R314 L318R314-N316 PolarHBondContact O-N 2.85Å; N316-L318 HydrophobicContact CB-CD1 4.18Å; N316-L318 PolarHBondContact O-N 2.79Å; N316-L318 WeakPolarHBondContact OD1-CD1 3.39Å
317L46.6Very low58.1Low32 Ų3262.9 Ų62.917%0.16832%0.317CS..  trans-6523.4150.5-9099.6000110.9F312 L315 Q319 E320 I325F312-L317 HydrophobicContact CE2-CD2 4.3Å; L315-L317 HydrophobicContact CB-CD1 3.79Å; L315-L317 HydrophobicContact CD2-CD1 3.52Å; L315-L317 HydrophobicContact CG-CD1 4.29Å; L315-L317 PolarHBondContact O-N 2.82Å; L317-Q319 PolarHBondContact O-N 2.92Å; L317-E320 HydrophobicContact CD2-CB 4.13Å; L317-E320 HydrophobicContact CD2-CG 4.17Å; L317-E320 WeakPolarHBondContact CD2-OE2 3.33Å; L317-E320 HydrophobicContact CG-CG 4.27Å; L317-E320 PolarHBondContact O-N 3.28Å; L317-I325 HydrophobicContact CD2-CD1 3.69Å; L317-I325 HydrophobicContact CD2-CG1 3.92Å
318L42.9Very low59.4Low138 Ų13868 Ų6872%0.72334%0.338SS*.THydrogen-bonded Turntrans-42106.6156.4-85.1160.3000106.8N316N316-L318 HydrophobicContact CB-CD1 4.18Å; N316-L318 PolarHBondContact O-N 2.79Å; N316-L318 WeakPolarHBondContact OD1-CD1 3.39Å
319Q51.3Low61Low192 Ų19270.7 Ų70.790%0.89735%0.353SS*.THydrogen-bonded Turntrans78.220168.1-137.416920.300117L317L317-Q319 PolarHBondContact O-N 2.92Å
320E56.7Low62.2Low85 Ų8571 Ų7140%0.39735%0.354SS..  trans-72.2134157.3-69.3-160.8-177.200109.6L317L317-E320 HydrophobicContact CD2-CB 4.13Å; L317-E320 HydrophobicContact CD2-CG 4.17Å; L317-E320 WeakPolarHBondContact CD2-OE2 3.33Å; L317-E320 HydrophobicContact CG-CG 4.27Å; L317-E320 PolarHBondContact O-N 3.28Å
321K66.7Low63.9Low135 Ų13572 Ų7259%0.58736%0.36SS*.  trans-68.9141.8172.4-59.9-167.4-175.4-1790108.4E323 N324K321-E323 HydrophobicContact CB-CB 4.41Å; K321-E323 WeakPolarHBondContact CB-OE2 3.43Å; K321-E323 WeakPolarHBondContact CD-OE2 3.46Å; K321-E323 IonicContact NZ-OE2 2.97Å; K321-E323 PolarHBondContact O-N 3.18Å; K321-N324 PolarHBondContact O-N 3.47Å
322A75.3Confident65.9Low2 Ų269.8 Ų69.82%0.01735%0.345CS..Hα-helixtrans-57.7-26177.400000112L255 P256 W257 N324 I325 V326L255-A322 HydrophobicContact CB-CB 3.84Å; P256-A322 VanDerWaalsContact O-CB 3.29Å; P256-A322 WeakPolarHBondContact O-CB 3.41Å; W257-A322 HydrophobicContact CB-CB 3.57Å; W257-A322 HydrophobicContact CG-CB 4.18Å; A322-N324 VanDerWaalsContact C-N 3.3Å; A322-N324 PolarHBondContact O-N 3.21Å; A322-I325 PolarHBondContact O-N 2.86Å; A322-V326 WeakPolarHBondContact O-CG2 3.42Å; A322-V326 PolarHBondContact O-N 2.86Å
323E78.3Confident67.9Low37 Ų3768.7 Ų68.717%0.17334%0.34CS..Hα-helixtrans-48.5-48.9170-68.396.7-111.800112.8D258 K321 I325 V326 Q327D258-E323 PolarHBondContact N-OE1 3.1Å; K321-E323 HydrophobicContact CB-CB 4.41Å; K321-E323 WeakPolarHBondContact CB-OE2 3.43Å; K321-E323 WeakPolarHBondContact CD-OE2 3.46Å; K321-E323 IonicContact NZ-OE2 2.97Å; K321-E323 PolarHBondContact O-N 3.18Å; E323-I325 PolarHBondContact O-N 2.91Å; E323-V326 PolarHBondContact O-N 3.14Å; E323-Q327 WeakPolarHBondContact O-CB 3.31Å; E323-Q327 VanDerWaalsContact O-CG 3.24Å; E323-Q327 WeakPolarHBondContact O-CG 3.3Å; E323-Q327 PolarHBondContact O-N 3.21Å
324N75.8Confident70Confident78 Ų7867.9 Ų67.942%0.41733%0.325SS..Hα-helixtrans-65.6-42.4-176.2-66.3-8000110.9K321 A322 V326 Q327 E328K321-N324 PolarHBondContact O-N 3.47Å; A322-N324 VanDerWaalsContact C-N 3.3Å; A322-N324 PolarHBondContact O-N 3.21Å; N324-V326 VanDerWaalsContact C-N 3.31Å; N324-V326 PolarHBondContact O-N 2.69Å; N324-Q327 PolarHBondContact O-N 2.8Å; N324-E328 WeakPolarHBondContact O-CB 3.34Å; N324-E328 WeakPolarHBondContact O-CG 3.27Å; N324-E328 PolarHBondContact O-N 2.86Å
325I77.8Confident72Confident30 Ų3060.7 Ų60.715%0.15430%0.302CS..Hα-helixtrans-68-33.4-179-61.2169.3000111.3L255 F312 L317 A322 E323 M330L255-I325 HydrophobicContact CD1-CD1 3.26Å; F312-I325 HydrophobicContact CE2-CD1 4.44Å; L317-I325 HydrophobicContact CD2-CD1 3.69Å; L317-I325 HydrophobicContact CD2-CG1 3.92Å; A322-I325 PolarHBondContact O-N 2.86Å; E323-I325 PolarHBondContact O-N 2.91Å; I325-M330 HydrophobicContact CG2-SD 4.25Å
326V81.8Confident73.9Confident14 Ų1460.7 Ų60.79%0.08530%0.304CS..Hα-helixtrans-78.6-27.5177.9176.70000111.7W257 I308 A322 E323 N324 H423 L425W257-V326 HydrophobicContact CD2-CG2 4.19Å; W257-V326 HydrophobicContact CE3-CG2 4.25Å; W257-V326 HydrophobicContact CH2-CG1 3.66Å; W257-V326 HydrophobicContact CZ2-CB 4.25Å; W257-V326 HydrophobicContact CZ2-CG1 3.68Å; W257-V326 HydrophobicContact CZ3-CG1 4.21Å; W257-V326 HydrophobicContact CZ3-CG2 4.43Å; I308-V326 HydrophobicContact CD1-CG2 3.87Å; A322-V326 WeakPolarHBondContact O-CG2 3.42Å; A322-V326 PolarHBondContact O-N 2.86Å; E323-V326 PolarHBondContact O-N 3.14Å; N324-V326 VanDerWaalsContact C-N 3.31Å; N324-V326 PolarHBondContact O-N 2.69Å; V326-H423 PolarHBondContact O-N 2.73Å; V326-L425 HydrophobicContact CG1-CB 4.19Å; V326-L425 WeakPolarHBondContact CG1-O 3.23Å
327Q85.3Confident75.3Confident101 Ų10159.1 Ų59.147%0.47230%0.301SS..Hα-helixtrans-90.9-18.4-178.8-70.7179.2-7.700114.2E323 N324 K422E323-Q327 WeakPolarHBondContact O-CB 3.31Å; E323-Q327 VanDerWaalsContact O-CG 3.24Å; E323-Q327 WeakPolarHBondContact O-CG 3.3Å; E323-Q327 PolarHBondContact O-N 3.21Å; N324-Q327 PolarHBondContact O-N 2.8Å; Q327-K422 WeakPolarHBondContact O-CB 3.35Å; Q327-K422 WeakPolarHBondContact O-CD 3.44Å
328E85.6Confident76.6Confident124 Ų12462.4 Ų62.458%0.57933%0.326SS*.SBendtrans-108.2158.9177.1-65.3-61.1154.300111.8N324 K422N324-E328 WeakPolarHBondContact O-CB 3.34Å; N324-E328 WeakPolarHBondContact O-CG 3.27Å; N324-E328 PolarHBondContact O-N 2.86Å; E328-K422 WeakPolarHBondContact O-CB 3.47Å
329D87.1Confident78.1Confident69 Ų6960 Ų6037%0.36931%0.307SS..  trans-71.7145.6174.5-64.4-35.4000110.3L419 F421 K422D329-L419 HydrophobicContact CB-CD1 3.53Å; D329-L419 HydrophobicContact CB-CD2 4.42Å; D329-L419 HydrophobicContact CB-CG 4.02Å; D329-F421 WeakPolarHBondContact OD1-CA 3.49Å; D329-K422 WeakPolarHBondContact OD1-CG 3.29Å; D329-K422 PolarHBondContact OD1-N 3.41Å
330M85.1Confident79.1Confident14 Ų1454.7 Ų54.77%0.06930%0.304CS..BIsolated β-bridgetrans-118.4142.3-177.1-179175.256.500110.4S310 F312 I325 F334 L349 L419 V420S310-M330 PolarHBondContact OG-SD 2.76Å; F312-M330 HydrophobicContact CE1-CG 4.4Å; F312-M330 HydrophobicContact CE1-SD 4.21Å; F312-M330 HydrophobicContact CE2-SD 4.09Å; F312-M330 HydrophobicContact CZ-CG 3.92Å; F312-M330 HydrophobicContact CZ-SD 3.41Å; F312-M330 WeakPolarHBondContact CZ-SD 3.35Å; I325-M330 HydrophobicContact CG2-SD 4.25Å; M330-F334 HydrophobicContact CG-CZ 3.99Å; M330-L349 HydrophobicContact CE-CD2 3.33Å; M330-L349 HydrophobicContact SD-CD2 4.39Å; M330-L419 CarbonylContact O-C 3.58Å; M330-V420 HydrophobicContact CB-CB 4.36Å; M330-V420 HydrophobicContact CE-CB 4.27Å; M330-V420 HydrophobicContact CE-CG1 4.26Å; M330-V420 PolarHBondContact N-O 3.34Å; M330-V420 WeakPolarHBondContact O-CA 3.32Å; M330-V420 WeakPolarHBondContact O-CB 2.94Å; M330-V420 PolarHBondContact O-N 3.41Å
331P88.4Confident80.2Confident35 Ų3555.2 Ų55.223%0.22731%0.313CS..  trans-65.3154.1176.1-15.726.1000112.5F334 P416 G418P331-F334 HydrophobicContact CB-CD1 3.99Å; P331-F334 HydrophobicContact CB-CE1 3.36Å; P331-F334 HydrophobicContact CB-CE2 4.06Å; P331-F334 HydrophobicContact CB-CZ 3.39Å; P331-F334 VanDerWaalsContact CD-CE1 3.42Å; P331-F334 VanDerWaalsContact CD-CZ 3.47Å; P331-F334 HydrophobicContact CG-CD1 4.02Å; P331-F334 HydrophobicContact CG-CE1 3.21Å; P331-F334 HydrophobicContact CG-CZ 3.63Å; P331-F334 WeakPolarHBondContact O-CE2 3.33Å; P331-F334 WeakPolarHBondContact O-CZ 3.45Å; P331-P416 HydrophobicContact CB-CB 3.57Å; P331-P416 HydrophobicContact CG-CB 3.53Å; P331-P416 HydrophobicContact CG-CG 4.45Å; P331-G418 WeakPolarHBondContact CA-O 3.44Å
332L89Confident80.9Confident0 Ų054.6 Ų54.60%031%0.31CS..SBendtrans-88.7-37.4173.1-178.659.1000111.4L348 L349 I369 P371 Y400 E417 G418 V420L332-L348 HydrophobicContact CD1-CD1 3.69Å; L332-L348 HydrophobicContact CD2-CD1 4.35Å; L332-L348 HydrophobicContact CG-CD1 3.69Å; L332-L349 HydrophobicContact CD1-CB 4.35Å; L332-L349 PolarHBondContact O-N 2.78Å; L332-I369 HydrophobicContact CD1-CG2 3.98Å; L332-I369 HydrophobicContact CD2-CG2 3.49Å; L332-I369 VanDerWaalsContact CD2-CG2 3.49Å; L332-I369 HydrophobicContact CG-CG2 4.3Å; L332-P371 HydrophobicContact CD2-CB 4.24Å; L332-P371 HydrophobicContact CD2-CG 4.02Å; L332-Y400 HydrophobicContact CD1-CE2 4.38Å; L332-Y400 HydrophobicContact CD2-CD2 4.32Å; L332-Y400 HydrophobicContact CD2-CE2 3.92Å; L332-E417 PolarHBondContact N-O 3.13Å; L332-G418 PolarHBondContact N-O 3.36Å; L332-V420 HydrophobicContact CB-CG2 4.27Å; L332-V420 HydrophobicContact CD1-CG2 4.03Å
333W88.1Confident81.1Confident7 Ų757.1 Ų57.13%0.02733%0.326CS..EExtended strand (participates in β ladder)trans-115.7144.5175.6-72.3-85.7000111.7L346 G347 L348 P371 F408 R410 P416 E417W333-L346 HydrophobicContact CB-CB 4.25Å; W333-L346 HydrophobicContact CB-CD1 4.31Å; W333-L346 HydrophobicContact CG-CB 4.49Å; W333-G347 CarbonylContact C-O 3.51Å; W333-G347 VanDerWaalsContact CA-O 3.31Å; W333-G347 WeakPolarHBondContact CA-O 3.44Å; W333-L348 HydrophobicContact CD2-CD1 4.26Å; W333-L348 HydrophobicContact CZ2-CD1 3.92Å; W333-P371 HydrophobicContact CH2-CB 3.74Å; W333-P371 HydrophobicContact CH2-CG 4.48Å; W333-P371 HydrophobicContact CZ3-CB 3.82Å; W333-P371 WeakPolarHBondContact CZ3-O 3.24Å; W333-F408 HydrophobicContact CH2-CB 4.24Å; W333-R410 HydrophobicContact CD2-CG 4.5Å; W333-P416 CarbonylContact O-C 3.47Å; W333-P416 VanDerWaalsContact O-CA 3.22Å; W333-P416 WeakPolarHBondContact O-CA 3.35Å; W333-E417 HydrophobicContact CB-CB 4.27Å; W333-E417 PolarHBondContact N-O 3.45Å; W333-E417 PolarHBondContact O-N 2.67Å
334F84.6Confident81.3Confident21 Ų2157.5 Ų57.59%0.09233%0.327CS..EExtended strand (participates in β ladder)trans-138144.6-178.6-57.5-93.4000111F312 L315 M330 P331 C336 L346 G347 L349 P416F312-F334 HydrophobicContact CD1-CD1 4.4Å; F312-F334 HydrophobicContact CD1-CE1 4.06Å; F312-F334 HydrophobicContact CD1-CZ 4.19Å; F312-F334 HydrophobicContact CE1-CD1 4.2Å; F312-F334 AromaticContact CE1-CE1 3.44Å; F312-F334 HydrophobicContact CE1-CE1 3.44Å; F312-F334 VanDerWaalsContact CE1-CE1 3.44Å; F312-F334 HydrophobicContact CE1-CE2 4.18Å; F312-F334 AromaticContact CE1-CZ 3.42Å; F312-F334 HydrophobicContact CE1-CZ 3.42Å; F312-F334 VanDerWaalsContact CE1-CZ 3.42Å; F312-F334 HydrophobicContact CZ-CE1 4.5Å; F312-F334 HydrophobicContact CZ-CZ 4.31Å; L315-F334 HydrophobicContact CD1-CB 4.46Å; L315-F334 HydrophobicContact CD1-CD1 4.13Å; M330-F334 HydrophobicContact CG-CZ 3.99Å; P331-F334 HydrophobicContact CB-CD1 3.99Å; P331-F334 HydrophobicContact CB-CE1 3.36Å; P331-F334 HydrophobicContact CB-CE2 4.06Å; P331-F334 HydrophobicContact CB-CZ 3.39Å; P331-F334 VanDerWaalsContact CD-CE1 3.42Å; P331-F334 VanDerWaalsContact CD-CZ 3.47Å; P331-F334 HydrophobicContact CG-CD1 4.02Å; P331-F334 HydrophobicContact CG-CE1 3.21Å; P331-F334 HydrophobicContact CG-CZ 3.63Å; P331-F334 WeakPolarHBondContact O-CE2 3.33Å; P331-F334 WeakPolarHBondContact O-CZ 3.45Å; F334-C336 PolarHBondContact O-N 3.08Å; F334-L346 CarbonylContact O-C 3.54Å; F334-L346 WeakPolarHBondContact O-CA 3.37Å; F334-G347 PolarHBondContact N-O 3.37Å; F334-G347 PolarHBondContact O-N 3.15Å; F334-L349 HydrophobicContact CE2-CB 4.46Å; F334-P416 HydrophobicContact CD1-CB 4.3Å
335P83.6Confident81.7Confident27 Ų2757.7 Ų57.718%0.17533%0.328CS..EExtended strand (participates in β ladder)trans-55.1114.8169.1-26.236000111.3S337 F344 L346P335-S337 PolarHBondContact O-N 2.78Å; P335-F344 HydrophobicContact CB-CB 3.93Å; P335-F344 HydrophobicContact CB-CD2 3.82Å; P335-F344 HydrophobicContact CB-CG 4.05Å; P335-L346 HydrophobicContact CG-CD2 4.3Å
336C78.9Confident82.1Confident33 Ų3357.1 Ų57.122%0.22333%0.325CS..  trans-71.1131.7177.4-170.90000109.9F334 C338 L345F334-C336 PolarHBondContact O-N 3.08Å; C336-C338 HydrophobicContact CB-CB 3.93Å; C336-C338 WeakPolarHBondContact CB-SG 3.44Å; C336-C338 PolarHBondContact O-N 3.12Å; C336-C338 WeakPolarHBondContact SG-CB 3.37Å; C336-C338 PolarHBondContact SG-N 2.67Å; C336-C338 CovalentContact SG-SG 2.06Å; C336-C338 PolarHBondContact SG-SG 2.9Å; C336-L345 WeakPolarHBondContact CA-O 3.08Å; C336-L345 VanDerWaalsContact CB-O 3.27Å; C336-L345 WeakPolarHBondContact CB-O 3.33Å; C336-L345 PolarHBondContact N-O 3.19Å
337S73.7Confident82.2Confident67 Ų6757.8 Ų57.847%0.46934%0.335SS..THydrogen-bonded Turntrans-64.50.4168.3-64.70000114.2G313 P335 R339G313-S337 PolarHBondContact O-OG 2.84Å; P335-S337 PolarHBondContact O-N 2.78Å; S337-R339 VanDerWaalsContact C-N 3.25Å; S337-R339 PolarHBondContact O-N 2.86Å
338C71.9Confident82.3Confident102 Ų10254.6 Ų54.669%0.68932%0.321SS*.THydrogen-bonded Turntrans-60.3-33.4178-53.30000112.4C336C336-C338 HydrophobicContact CB-CB 3.93Å; C336-C338 WeakPolarHBondContact CB-SG 3.44Å; C336-C338 PolarHBondContact O-N 3.12Å; C336-C338 WeakPolarHBondContact SG-CB 3.37Å; C336-C338 PolarHBondContact SG-N 2.67Å; C336-C338 CovalentContact SG-SG 2.06Å; C336-C338 PolarHBondContact SG-SG 2.9Å
339R74.6Confident82.4Confident88 Ų8849 Ų4933%0.33230%0.295SS..  trans-114125.7-177.8-166.1-176.1178.8168.24.2108.8S337 T341 P343 F344 E412S337-R339 VanDerWaalsContact C-N 3.25Å; S337-R339 PolarHBondContact O-N 2.86Å; R339-T341 VanDerWaalsContact C-N 3.3Å; R339-T341 WeakPolarHBondContact CD-O 3.22Å; R339-T341 VanDerWaalsContact CG-O 3.3Å; R339-T341 WeakPolarHBondContact CG-O 3.35Å; R339-T341 PolarHBondContact NE-O 2.97Å; R339-T341 PolarHBondContact O-N 3.01Å; R339-P343 WeakPolarHBondContact CD-O 3.39Å; R339-P343 VanDerWaalsContact CZ-O 3.28Å; R339-P343 PolarHBondContact NE-O 2.82Å; R339-P343 PolarHBondContact NH1-O 2.73Å; R339-F344 WeakPolarHBondContact O-CD1 3.25Å; R339-F344 WeakPolarHBondContact O-CE1 3.2Å; R339-E412 IonicContact NH1-OE1 3.37Å; R339-E412 PolarHBondContact NH1-OE1 3.41Å
340G72.3Confident82.4Confident80 Ų8047.8 Ų47.883%0.82529%0.29SS*.SBendtrans-75.6-14.6-177.900000114.9
341T80.4Confident82.5Confident96 Ų9648.2 Ų48.259%0.58929%0.291SS*.SBendtrans-133.4146.3-176.7600000111.1R339R339-T341 VanDerWaalsContact C-N 3.3Å; R339-T341 WeakPolarHBondContact CD-O 3.22Å; R339-T341 VanDerWaalsContact CG-O 3.3Å; R339-T341 WeakPolarHBondContact CG-O 3.35Å; R339-T341 PolarHBondContact NE-O 2.97Å; R339-T341 PolarHBondContact O-N 3.01Å
342K81Confident82.6Confident121 Ų12146.6 Ų46.653%0.52628%0.281SS..SBendtrans-62.6156.4175.2-69.8-179.8165.6-153.20113.2F344 D414K342-F344 HydrophobicContact CD-CE2 4.13Å; K342-F344 HydrophobicContact CG-CD2 3.84Å; K342-F344 HydrophobicContact CG-CE1 4.27Å; K342-F344 HydrophobicContact CG-CE2 3.39Å; K342-F344 HydrophobicContact CG-CG 4.47Å; K342-F344 HydrophobicContact CG-CZ 3.63Å; K342-D414 WeakPolarHBondContact CD-OD2 3.49Å; K342-D414 WeakPolarHBondContact CE-OD2 3.36Å; K342-D414 IonicContact NZ-OD2 3.47Å; K342-D414 PolarHBondContact NZ-OD2 3.3Å
343P79.9Confident82.6Confident55 Ų5546.6 Ų46.636%0.35728%0.281SS..SBendcis-70.4140.1-7.730.2-34.1000110.7R339R339-P343 WeakPolarHBondContact CD-O 3.39Å; R339-P343 VanDerWaalsContact CZ-O 3.28Å; R339-P343 PolarHBondContact NE-O 2.82Å; R339-P343 PolarHBondContact NH1-O 2.73Å
344F83.5Confident82.7Confident45 Ų4546.3 Ų46.320%0.19728%0.279CS..EExtended strand (participates in β ladder)trans-76.1154-179.8-57.1-68.3000110.9P335 R339 K342 E412 G413P335-F344 HydrophobicContact CB-CB 3.93Å; P335-F344 HydrophobicContact CB-CD2 3.82Å; P335-F344 HydrophobicContact CB-CG 4.05Å; R339-F344 WeakPolarHBondContact O-CD1 3.25Å; R339-F344 WeakPolarHBondContact O-CE1 3.2Å; K342-F344 HydrophobicContact CD-CE2 4.13Å; K342-F344 HydrophobicContact CG-CD2 3.84Å; K342-F344 HydrophobicContact CG-CE1 4.27Å; K342-F344 HydrophobicContact CG-CE2 3.39Å; K342-F344 HydrophobicContact CG-CG 4.47Å; K342-F344 HydrophobicContact CG-CZ 3.63Å; F344-E412 CarbonylContact O-C 3.52Å; F344-E412 VanDerWaalsContact O-CA 3.25Å; F344-E412 WeakPolarHBondContact O-CA 3.44Å; F344-G413 WeakPolarHBondContact CB-O 3.45Å; F344-G413 PolarHBondContact N-O 2.93Å; F344-G413 PolarHBondContact O-N 2.82Å
345L83.8Confident82.9Confident82 Ų8245.8 Ų45.843%0.42928%0.278SS..EExtended strand (participates in β ladder)trans-76.9134164.2-69.6171000108.2C336 G411 E412C336-L345 WeakPolarHBondContact CA-O 3.08Å; C336-L345 VanDerWaalsContact CB-O 3.27Å; C336-L345 WeakPolarHBondContact CB-O 3.33Å; C336-L345 PolarHBondContact N-O 3.19Å; L345-G411 WeakPolarHBondContact CA-O 3.46Å; L345-E412 HydrophobicContact CD2-CG 4.06Å
346L85.9Confident83.2Confident18 Ų1844.5 Ų44.59%0.09427%0.27CS..EExtended strand (participates in β ladder)trans-82.6121.5176.3-71.2176.5000110.3W333 F334 P335 R410 G411W333-L346 HydrophobicContact CB-CB 4.25Å; W333-L346 HydrophobicContact CB-CD1 4.31Å; W333-L346 HydrophobicContact CG-CB 4.49Å; F334-L346 CarbonylContact O-C 3.54Å; F334-L346 WeakPolarHBondContact O-CA 3.37Å; P335-L346 HydrophobicContact CG-CD2 4.3Å; L346-R410 HydrophobicContact CD1-CB 3.82Å; L346-G411 PolarHBondContact N-O 3.41Å
347G83.3Confident83.6Confident29 Ų2943.8 Ų43.830%0.29926%0.264SS..EExtended strand (participates in β ladder)trans-82.4128.8168.700000110.7W333 F334W333-G347 CarbonylContact C-O 3.51Å; W333-G347 VanDerWaalsContact CA-O 3.31Å; W333-G347 WeakPolarHBondContact CA-O 3.44Å; F334-G347 PolarHBondContact N-O 3.37Å; F334-G347 PolarHBondContact O-N 3.15Å
348L88Confident84.1Confident34 Ų3445.5 Ų45.518%0.17826%0.264CS..EExtended strand (participates in β ladder)trans-86.5136174.7174.164.5000110.8L332 W333 T350 F398 Y400L332-L348 HydrophobicContact CD1-CD1 3.69Å; L332-L348 HydrophobicContact CD2-CD1 4.35Å; L332-L348 HydrophobicContact CG-CD1 3.69Å; W333-L348 HydrophobicContact CD2-CD1 4.26Å; W333-L348 HydrophobicContact CZ2-CD1 3.92Å; L348-T350 HydrophobicContact CB-CG2 4.31Å; L348-T350 HydrophobicContact CD2-CG2 4Å; L348-T350 HydrophobicContact CG-CG2 3.99Å; L348-T350 PolarHBondContact O-N 2.67Å; L348-F398 HydrophobicContact CD2-CD2 4.15Å; L348-F398 WeakPolarHBondContact CD2-O 3.33Å; L348-Y400 HydrophobicContact CD1-CE2 4.35Å
349L87.3Confident84.6Confident6 Ų641.2 Ų41.23%0.03124%0.235CC..  trans-68.7103.1166.1-179.967.7000109.8M330 L332 F334 I352 L396 V420M330-L349 HydrophobicContact CE-CD2 3.33Å; M330-L349 HydrophobicContact SD-CD2 4.39Å; L332-L349 HydrophobicContact CD1-CB 4.35Å; L332-L349 PolarHBondContact O-N 2.78Å; F334-L349 HydrophobicContact CE2-CB 4.46Å; L349-I352 HydrophobicContact CD2-CG1 4.5Å; L349-L396 HydrophobicContact CD2-CD1 4.03Å; L349-L396 HydrophobicContact CG-CD1 4.08Å; L349-V420 HydrophobicContact CD2-CG2 4.14Å
350T86.9Confident85Confident43 Ų4337.1 Ų37.126%0.26422%0.22SC..  trans-100.1-25.4-176.251.80000113.8L348 R395 L396L348-T350 HydrophobicContact CB-CG2 4.31Å; L348-T350 HydrophobicContact CD2-CG2 4Å; L348-T350 HydrophobicContact CG-CG2 3.99Å; L348-T350 PolarHBondContact O-N 2.67Å; T350-R395 WeakPolarHBondContact O-CA 3.08Å; T350-L396 PolarHBondContact O-N 2.7Å
351R88.3Confident85.6Confident23 Ų2333.3 Ų33.39%0.08718%0.181CC..EExtended strand (participates in β ladder)trans-146.1139.7-172.5-74.3168.9-70.4162.83.3111.4T71 C311 I393 V394 R395T71-R351 PolarHBondContact OG1-NE 2.6Å; T71-R351 PolarHBondContact OG1-NH1 3.37Å; T71-R351 VanDerWaalsContact OG1-NH1 3.09Å; T71-R351 PolarHBondContact OG1-NH2 3.18Å; T71-R351 VanDerWaalsContact OG1-NH2 3.07Å; C311-R351 PolarHBondContact SG-O 2.73Å; R351-I393 HydrophobicContact CB-CG2 4.13Å; R351-I393 HydrophobicContact CG-CG2 3.95Å; R351-V394 WeakPolarHBondContact CA-O 3.39Å; R351-R395 HydrophobicContact CG-CB 4.36Å; R351-R395 HydrophobicContact CG-CG 4.26Å
352I88.7Confident85.7Confident2 Ų230.3 Ų30.31%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-115125.1171.3-56.8149.4000107.5I308 L349 V354 I393 V394 L396 M424I308-I352 HydrophobicContact CG2-CG2 4.29Å; L349-I352 HydrophobicContact CD2-CG1 4.5Å; I352-V354 HydrophobicContact CG2-CG2 3.95Å; I352-I393 WeakPolarHBondContact O-CA 3.31Å; I352-V394 HydrophobicContact CB-CB 4.3Å; I352-V394 PolarHBondContact N-O 3.46Å; I352-V394 PolarHBondContact O-N 3.17Å; I352-L396 HydrophobicContact CD1-CD1 4.11Å; I352-L396 HydrophobicContact CD1-CD2 4.02Å; I352-L396 HydrophobicContact CD1-CG 4.24Å; I352-M424 HydrophobicContact CD1-CE 3.39Å; I352-M424 HydrophobicContact CD1-SD 3.4Å; I352-M424 WeakPolarHBondContact CD1-SD 3.27Å; I352-M424 HydrophobicContact CG1-CE 4.12Å; I352-M424 HydrophobicContact CG2-CE 4.38Å
353H89.1Confident86.1Confident0 Ų024.6 Ų24.60%014%0.135CC..EExtended strand (participates in β ladder)trans-98.9122.2-179.7-65.5-101.8000108.8L241 Q244 F247 L254 I308 V309 Y391L241-H353 HydrophobicContact CD1-CB 4.45Å; Q244-H353 PolarHBondContact OE1-CE1 2.75Å; F247-H353 AromaticContact CZ-NE2 3.88Å; L254-H353 HydrophobicContact CD2-CB 3.83Å; I308-H353 WeakPolarHBondContact CA-O 3.49Å; V309-H353 HydrophobicContact CB-CB 4.11Å; V309-H353 PolarHBondContact N-O 3.2Å; V309-H353 PolarHBondContact O-N 2.98Å; V309-H353 VanDerWaalsContact O-N 3.13Å; H353-Y391 HydrophobicContact CB-CE2 4.11Å; H353-Y391 PolarHBondContact CE1-OH 3.38Å; H353-Y391 AromaticContact ND1-CE2 3.76Å; H353-Y391 AromaticContact ND1-CZ 3.65Å; H353-Y391 PolarHBondContact ND1-OH 2.81Å
354V90.1Very high86.5Confident0 Ų022 Ų220%012%0.118CC..EExtended strand (participates in β ladder)trans-126.7118.4-177.5-174.40000109.3V306 I352 T356 V363 L386 W392 L425V306-V354 HydrophobicContact CG1-CG1 4.05Å; I352-V354 HydrophobicContact CG2-CG2 3.95Å; V354-T356 HydrophobicContact CG1-CG2 4.34Å; V354-V363 HydrophobicContact CG1-CG1 4.1Å; V354-L386 HydrophobicContact CB-CD1 4Å; V354-L386 HydrophobicContact CG1-CD1 3.83Å; V354-L386 HydrophobicContact CG2-CD1 4.32Å; V354-W392 HydrophobicContact CB-CB 4.48Å; V354-W392 PolarHBondContact N-O 3.18Å; V354-W392 PolarHBondContact O-N 3.47Å; V354-L425 HydrophobicContact CG2-CD1 4.33Å; V354-L425 HydrophobicContact CG2-CD2 4.23Å
355V90.6Very high86.9Confident11 Ų1119.9 Ų19.97%0.06711%0.109CC..EExtended strand (participates in β ladder)trans-105.6112.9172.11770000108.4Y235 L254 A307 Y391Y235-V355 HydrophobicContact CD1-CB 4.36Å; Y235-V355 HydrophobicContact CD1-CG1 4.3Å; Y235-V355 HydrophobicContact CD1-CG2 4.16Å; Y235-V355 HydrophobicContact CG-CG2 4.06Å; L254-V355 HydrophobicContact CD1-CB 3.92Å; L254-V355 HydrophobicContact CD1-CG2 3.37Å; A307-V355 HydrophobicContact CB-CB 4.31Å; A307-V355 PolarHBondContact N-O 2.83Å; A307-V355 VanDerWaalsContact N-O 3.15Å; A307-V355 PolarHBondContact O-N 3.25Å; V355-Y391 HydrophobicContact CG2-CD2 3.57Å; V355-Y391 HydrophobicContact CG2-CE2 4.34Å; V355-Y391 HydrophobicContact CG2-CG 4.02Å
356T90Very high87.2Confident0 Ų018.6 Ų18.60%010%0.103CC..  trans-80.7141.4-177.759.70000110.9V354 V363 L386 G387 P388 S389 K390V354-T356 HydrophobicContact CG1-CG2 4.34Å; T356-V363 HydrophobicContact CG2-CB 3.93Å; T356-V363 HydrophobicContact CG2-CG2 3.73Å; T356-L386 HydrophobicContact CG2-CB 4.02Å; T356-G387 WeakPolarHBondContact CB-O 3.31Å; T356-G387 WeakPolarHBondContact CG2-O 3.43Å; T356-G387 PolarHBondContact OG1-O 3.28Å; T356-P388 VanDerWaalsContact OG1-C 3.31Å; T356-S389 PolarHBondContact OG1-N 3.09Å; T356-S389 VanDerWaalsContact OG1-N 3.15Å; T356-K390 PolarHBondContact N-O 2.83Å; T356-K390 PolarHBondContact OG1-N 2.78Å; T356-K390 PolarHBondContact OG1-O 3.41Å; T356-K390 VanDerWaalsContact OG1-O 3.09Å
357P86.7Confident87.5Confident17 Ų1717.7 Ų17.711%0.1110%0.098CC..  trans-66162.4-177.623.4-32.1000112.3A304 C305 V306 A359 V361 S389A304-P357 HydrophobicContact CB-CG 4.39Å; C305-P357 WeakPolarHBondContact O-CB 3.38Å; V306-P357 HydrophobicContact CG2-CG 4.32Å; P357-A359 HydrophobicContact CB-CB 4.1Å; P357-A359 HydrophobicContact CG-CB 4.26Å; P357-A359 PolarHBondContact O-N 2.97Å; P357-A359 VanDerWaalsContact O-N 3.08Å; P357-V361 HydrophobicContact CG-CG2 3.57Å; P357-S389 PolarHBondContact O-N 3.05Å
358K83.1Confident87.9Confident104 Ų10420.6 Ų20.645%0.45210%0.1SC..SBendtrans-82.959.1165.6-59.4-175.9-179.6-179.80110.6W271 S389W271-K358 WeakPolarHBondContact CH2-O 3.05Å; K358-S389 WeakPolarHBondContact CA-OG 3.34Å
359A83.1Confident88.1Confident11 Ų1119 Ų199%0.0919%0.091CC..SBendtrans-136.7156.8-178.900000109.7W268 P357 V361W268-A359 HydrophobicContact CH2-CB 3.94Å; W268-A359 HydrophobicContact CZ2-CB 4.27Å; P357-A359 HydrophobicContact CB-CB 4.1Å; P357-A359 HydrophobicContact CG-CB 4.26Å; P357-A359 PolarHBondContact O-N 2.97Å; P357-A359 VanDerWaalsContact O-N 3.08Å; A359-V361 HydrophobicContact CB-CG1 4.48Å; A359-V361 HydrophobicContact CB-CG2 4.14Å; A359-V361 PolarHBondContact O-N 2.73Å
360P83.2Confident88.4Confident2 Ų219.9 Ų19.91%0.01310%0.095CC..SBendtrans-79.166.2178.234.5-32.9000109.8W268 W271 D430 F431W268-P360 HydrophobicContact CD2-CG 4.07Å; W268-P360 HydrophobicContact CE3-CG 3.48Å; W268-P360 VanDerWaalsContact CE3-CG 3.48Å; W268-P360 HydrophobicContact CH2-CG 3.98Å; W268-P360 HydrophobicContact CZ2-CG 4.47Å; W268-P360 HydrophobicContact CZ3-CG 3.44Å; W268-P360 VanDerWaalsContact CZ3-CG 3.44Å; W271-P360 HydrophobicContact CD2-CB 3.92Å; W271-P360 HydrophobicContact CD2-CG 3.66Å; W271-P360 HydrophobicContact CE3-CG 3.8Å; W271-P360 HydrophobicContact CG-CB 4.11Å; W271-P360 HydrophobicContact CG-CG 4.04Å; W271-P360 HydrophobicContact CZ2-CB 4.25Å; W271-P360 HydrophobicContact CZ2-CG 4.38Å; W271-P360 HydrophobicContact CZ3-CG 4.27Å; P360-D430 VanDerWaalsContact C-CG 3.45Å; P360-D430 VanDerWaalsContact CA-OD2 3.26Å; P360-D430 WeakPolarHBondContact CA-OD2 3.48Å; P360-D430 HydrophobicContact CB-CB 4.22Å; P360-D430 WeakPolarHBondContact CB-OD2 3.03Å; P360-D430 WeakPolarHBondContact O-CB 3.37Å; P360-D430 VanDerWaalsContact O-CG 3.29Å; P360-D430 PolarHBondContact O-N 3.05Å; P360-D430 VanDerWaalsContact O-N 3.12Å; P360-F431 HydrophobicContact CB-CD2 4.37Å; P360-F431 HydrophobicContact CB-CE2 3.76Å; P360-F431 HydrophobicContact CG-CD2 4.27Å; P360-F431 HydrophobicContact CG-CE2 3.93Å
361V83.8Confident88.7Confident0 Ų018.1 Ų18.10%09%0.085CC..EExtended strand (participates in β ladder)trans-137.1146.9178.2-57.80000108.9W268 A304 P357 A359 V427 D428W268-V361 HydrophobicContact CH2-CG1 4.03Å; W268-V361 HydrophobicContact CZ3-CG1 3.98Å; A304-V361 HydrophobicContact CB-CG1 4.19Å; A304-V361 HydrophobicContact CB-CG2 4.16Å; P357-V361 HydrophobicContact CG-CG2 3.57Å; A359-V361 HydrophobicContact CB-CG1 4.48Å; A359-V361 HydrophobicContact CB-CG2 4.14Å; A359-V361 PolarHBondContact O-N 2.73Å; V361-V427 HydrophobicContact CB-CG1 3.89Å; V361-V427 HydrophobicContact CG1-CG1 4.35Å; V361-V427 HydrophobicContact CG2-CG1 4.09Å; V361-D428 WeakPolarHBondContact CA-O 3.43Å
362H83.3Confident88.7Confident34 Ų3418.1 Ų18.116%0.1579%0.086CC..EExtended strand (participates in β ladder)trans-104.2130.4170.7-76-67.9000109.8L386 V427 D428 D430H362-L386 PolarHBondContact ND1-O 3.4Å; H362-V427 WeakPolarHBondContact O-CA 3.46Å; H362-D428 PolarHBondContact N-O 3.09Å; H362-D428 PolarHBondContact O-N 2.93Å; H362-D430 IonicContact CD2-OD1 4Å; H362-D430 PolarHBondContact CD2-OD1 3.29Å; H362-D430 IonicContact CG-OD1 2.75Å; H362-D430 IonicContact NE2-OD1 2.68Å; H362-D430 PolarHBondContact NE2-OD1 3.48Å
363V88.7Confident88.7Confident0 Ų022.1 Ų22.10%011%0.111CC..EExtended strand (participates in β ladder)trans-92.6118.9171.5-178.30000107.5V306 V354 T356 L386 L425 Q426 V427V306-V363 HydrophobicContact CG1-CG1 4.47Å; V306-V363 HydrophobicContact CG1-CG2 4.14Å; V306-V363 HydrophobicContact CG2-CG2 3.82Å; V354-V363 HydrophobicContact CG1-CG1 4.1Å; T356-V363 HydrophobicContact CG2-CB 3.93Å; T356-V363 HydrophobicContact CG2-CG2 3.73Å; V363-L386 HydrophobicContact CB-CB 4.35Å; V363-L386 HydrophobicContact CB-CD1 4.47Å; V363-L386 HydrophobicContact CG1-CD1 4.32Å; V363-L386 WeakPolarHBondContact O-CA 3.26Å; V363-L386 WeakPolarHBondContact O-CB 3.41Å; V363-L386 WeakPolarHBondContact O-CG 3.46Å; V363-L386 PolarHBondContact O-N 3.46Å; V363-L425 HydrophobicContact CG1-CD2 4.34Å; V363-Q426 CarbonylContact C-O 3.53Å; V363-Q426 WeakPolarHBondContact CA-O 3.43Å; V363-V427 HydrophobicContact CG2-CG2 4.36Å
364C90Very high88.7Confident1 Ų127.9 Ų27.91%0.00715%0.146CC..EExtended strand (participates in β ladder)trans-96.5134.9179.6-680000109.4L383 H384 L425 Q426 D428C364-L383 HydrophobicContact CB-CD1 3.93Å; C364-H384 CarbonylContact C-O 3.59Å; C364-H384 WeakPolarHBondContact CA-O 3.35Å; C364-L425 WeakPolarHBondContact O-CA 3.24Å; C364-Q426 HydrophobicContact CB-CB 4.24Å; C364-Q426 PolarHBondContact N-O 3.13Å; C364-Q426 PolarHBondContact O-N 3.11Å; C364-D428 PolarHBondContact SG-OD2 2.84Å
365V90.2Very high88.5Confident0 Ų030.8 Ų30.80%016%0.16CC..EExtended strand (participates in β ladder)trans-121.5125.9176.864.90000110.3I226 P367 L383 H384 L386 V394 M424 L425I226-V365 HydrophobicContact CD1-CG1 4.08Å; V365-P367 HydrophobicContact CG2-CG 3.82Å; V365-L383 CarbonylContact O-C 3.59Å; V365-L383 WeakPolarHBondContact O-CA 3.48Å; V365-H384 HydrophobicContact CG1-CB 3.88Å; V365-H384 PolarHBondContact N-O 3.38Å; V365-H384 PolarHBondContact O-N 2.93Å; V365-L386 HydrophobicContact CG1-CD1 4.35Å; V365-L386 HydrophobicContact CG1-CD2 4.06Å; V365-L386 HydrophobicContact CG1-CG 4.21Å; V365-V394 HydrophobicContact CG1-CG2 4.02Å; V365-V394 HydrophobicContact CG2-CG1 4.45Å; V365-V394 HydrophobicContact CG2-CG2 4.07Å; V365-M424 CarbonylContact C-O 3.54Å; V365-M424 WeakPolarHBondContact CA-O 3.32Å; V365-M424 HydrophobicContact CG2-CG 4.19Å; V365-L425 HydrophobicContact CB-CD2 3.68Å; V365-L425 HydrophobicContact CG2-CD2 3.59Å
366N91.6Very high88.4Confident55 Ų5537.3 Ų37.329%0.29420%0.195SC..  trans-138.975.1178.2-173.520.9000111.1R368 G382 L383 M424N366-R368 PolarHBondContact O-N 3.19Å; N366-G382 PolarHBondContact OD1-O 2.74Å; N366-L383 HydrophobicContact CB-CB 4.33Å; N366-L383 HydrophobicContact CB-CD1 3.83Å; N366-M424 PolarHBondContact N-O 3.36Å
367P90.6Very high88.4Confident0 Ų038 Ų380%020%0.198CC..  trans-66.5121.1179.9-16.831.5000110.5V365 I369 I381 V394 L396 M424V365-P367 HydrophobicContact CG2-CG 3.82Å; P367-I369 HydrophobicContact CB-CD1 4.1Å; P367-I369 HydrophobicContact CB-CG1 4.38Å; P367-I381 HydrophobicContact CB-CB 4.4Å; P367-I381 HydrophobicContact CB-CD1 4.05Å; P367-I381 HydrophobicContact CG-CB 4.29Å; P367-I381 HydrophobicContact CG-CD1 4.19Å; P367-I381 HydrophobicContact CG-CG2 4.49Å; P367-I381 PolarHBondContact O-N 3.08Å; P367-V394 HydrophobicContact CG-CG1 4.26Å; P367-L396 HydrophobicContact CB-CD2 4.08Å; P367-L396 HydrophobicContact CG-CD2 4.18Å; P367-M424 HydrophobicContact CB-CG 4.04Å; P367-M424 HydrophobicContact CB-SD 3.67Å; P367-M424 HydrophobicContact CG-CG 3.98Å; P367-M424 HydrophobicContact CG-SD 3.83Å
368R92.8Very high88.7Confident89 Ų8937.7 Ų37.734%0.33620%0.196SC..EExtended strand (participates in β ladder)trans-112.7127.1167.9-64.7174.862.2-163.1-2.8107.3N366 V378 F379 M380 F421N366-R368 PolarHBondContact O-N 3.19Å; R368-V378 HydrophobicContact CB-CG1 4.11Å; R368-F379 WeakPolarHBondContact CA-O 3.42Å; R368-M380 HydrophobicContact CG-CG 4.39Å; R368-F421 HydrophobicContact CB-CB 4.11Å; R368-F421 HydrophobicContact CB-CD2 3.65Å; R368-F421 HydrophobicContact CB-CG 4.25Å; R368-F421 WeakPolarHBondContact O-CD2 3.49Å; R368-F421 PolarHBondContact O-N 3.11Å
369I92.8Very high89.2Confident0 Ų032.8 Ų32.80%018%0.175CC..EExtended strand (participates in β ladder)trans-134.7127.2-165.6-59161.2000108.5L332 P367 P371 F379 I381 L396 Y400 L419 V420L332-I369 HydrophobicContact CD1-CG2 3.98Å; L332-I369 HydrophobicContact CD2-CG2 3.49Å; L332-I369 VanDerWaalsContact CD2-CG2 3.49Å; L332-I369 HydrophobicContact CG-CG2 4.3Å; P367-I369 HydrophobicContact CB-CD1 4.1Å; P367-I369 HydrophobicContact CB-CG1 4.38Å; I369-P371 HydrophobicContact CG2-CG 4.41Å; I369-P371 WeakPolarHBondContact O-CD 3.43Å; I369-F379 HydrophobicContact CB-CB 4.49Å; I369-F379 PolarHBondContact N-O 2.55Å; I369-F379 PolarHBondContact O-N 3.07Å; I369-I381 HydrophobicContact CD1-CD1 4.09Å; I369-L396 HydrophobicContact CD1-CD1 4Å; I369-L396 HydrophobicContact CD1-CD2 3.93Å; I369-L396 HydrophobicContact CD1-CG 4.42Å; I369-Y400 HydrophobicContact CB-CE1 4.11Å; I369-Y400 HydrophobicContact CD1-CE1 3.96Å; I369-Y400 WeakPolarHBondContact CD1-OH 3.45Å; I369-Y400 HydrophobicContact CG2-CD1 4.36Å; I369-Y400 HydrophobicContact CG2-CE1 3.66Å; I369-L419 CarbonylContact C-O 3.58Å; I369-L419 WeakPolarHBondContact CA-O 3.46Å; I369-V420 HydrophobicContact CG1-CG1 4.42Å; I369-V420 HydrophobicContact CG1-CG2 4.37Å
370Q93Very high89.5Confident25 Ų2534.7 Ų34.712%0.11718%0.182CC..EExtended strand (participates in β ladder)trans-120.592176.6-174.3178.9600108.5D372 Q375 V378 G418 L419 F421Q370-D372 VanDerWaalsContact C-N 3.31Å; Q370-D372 WeakPolarHBondContact CG-O 3.47Å; Q370-D372 PolarHBondContact O-N 3.28Å; Q370-Q375 PolarHBondContact NE2-O 2.75Å; Q370-V378 HydrophobicContact CB-CG2 4.45Å; Q370-G418 WeakPolarHBondContact O-CA 3.41Å; Q370-L419 HydrophobicContact CB-CB 4.24Å; Q370-L419 PolarHBondContact N-O 3.12Å; Q370-L419 PolarHBondContact O-N 3.47Å; Q370-F421 HydrophobicContact CB-CE2 3.88Å; Q370-F421 HydrophobicContact CB-CZ 4.3Å; Q370-F421 VanDerWaalsContact OE1-CZ 3.29Å
371P92Very high89.4Confident6 Ų634.8 Ų34.84%0.03918%0.183CC..SBendtrans-53.8-44.5178.1-34.441.3000114.6L332 W333 I369 F379 Y400 F408 G418L332-P371 HydrophobicContact CD2-CB 4.24Å; L332-P371 HydrophobicContact CD2-CG 4.02Å; W333-P371 HydrophobicContact CH2-CB 3.74Å; W333-P371 HydrophobicContact CH2-CG 4.48Å; W333-P371 HydrophobicContact CZ3-CB 3.82Å; W333-P371 WeakPolarHBondContact CZ3-O 3.24Å; I369-P371 HydrophobicContact CG2-CG 4.41Å; I369-P371 WeakPolarHBondContact O-CD 3.43Å; P371-F379 VanDerWaalsContact CD-CD2 3.47Å; P371-F379 HydrophobicContact CG-CD2 3.78Å; P371-F379 HydrophobicContact CG-CE2 3.82Å; P371-Y400 HydrophobicContact CG-CD1 3.83Å; P371-Y400 HydrophobicContact CG-CD2 4.13Å; P371-Y400 HydrophobicContact CG-CG 3.57Å; P371-F408 HydrophobicContact CB-CB 3.65Å; P371-F408 HydrophobicContact CB-CD1 4.21Å; P371-F408 HydrophobicContact CB-CD2 3.78Å; P371-F408 HydrophobicContact CB-CE2 4.42Å; P371-F408 HydrophobicContact CB-CG 3.62Å; P371-F408 HydrophobicContact CG-CB 4.39Å; P371-F408 HydrophobicContact CG-CD2 4.1Å; P371-F408 HydrophobicContact CG-CG 4.38Å; P371-G418 WeakPolarHBondContact O-CA 3.37Å
372D89.8Confident89.3Confident23 Ų2335.6 Ų35.612%0.12319%0.191CC..  trans-117.3108-179.5-176.7-4.4000108.9Q370 T374 Q375 F408Q370-D372 VanDerWaalsContact C-N 3.31Å; Q370-D372 WeakPolarHBondContact CG-O 3.47Å; Q370-D372 PolarHBondContact O-N 3.28Å; D372-T374 PolarHBondContact O-N 3.46Å; D372-T374 WeakPolarHBondContact OD1-CB 3.37Å; D372-T374 WeakPolarHBondContact OD1-CG2 3.14Å; D372-T374 PolarHBondContact OD1-N 2.97Å; D372-T374 PolarHBondContact OD1-OG1 2.79Å; D372-T374 PolarHBondContact OD2-OG1 2.88Å; D372-Q375 HydrophobicContact CB-CG 4.37Å; D372-Q375 PolarHBondContact O-N 3.17Å; D372-Q375 VanDerWaalsContact O-O 3.11Å; D372-Q375 PolarHBondContact OD2-NE2 3.12Å; D372-F408 HydrophobicContact CB-CD1 3.76Å; D372-F408 HydrophobicContact CB-CE1 3.21Å; D372-F408 HydrophobicContact CB-CZ 3.82Å
373T88.5Confident89.6Confident87 Ų8738.8 Ų38.853%0.53421%0.209SC..THydrogen-bonded Turntrans-70.7-11.1-179.257.40000113.2L419T373-L419 HydrophobicContact CG2-CB 4.14Å
374T88.9Confident89.5Confident120 Ų12041.3 Ų41.374%0.73622%0.22SC*.THydrogen-bonded Turntrans-77.8-13.3173.371.90000112.7D372D372-T374 PolarHBondContact O-N 3.46Å; D372-T374 WeakPolarHBondContact OD1-CB 3.37Å; D372-T374 WeakPolarHBondContact OD1-CG2 3.14Å; D372-T374 PolarHBondContact OD1-N 2.97Å; D372-T374 PolarHBondContact OD1-OG1 2.79Å; D372-T374 PolarHBondContact OD2-OG1 2.88Å
375Q86.2Confident89.5Confident62 Ų6247.6 Ų47.629%0.2925%0.248SC..SBendtrans-118144.7-176.9-58.1-177.12400111.3Q370 D372 L377Q370-Q375 PolarHBondContact NE2-O 2.75Å; D372-Q375 HydrophobicContact CB-CG 4.37Å; D372-Q375 PolarHBondContact O-N 3.17Å; D372-Q375 VanDerWaalsContact O-O 3.11Å; D372-Q375 PolarHBondContact OD2-NE2 3.12Å; Q375-L377 PolarHBondContact O-N 2.86Å
376D88Confident89.4Confident148 Ų14847.7 Ų47.779%0.79125%0.248SC*.  trans-84.346.3175.1-165.923.7000112.5
377L91Very high89Confident14 Ų1446 Ų467%0.07324%0.243CC..  trans-112.7104.6-179.7-178.660.2000110.3N210 T212 Q375 F379 P406 F408N210-L377 HydrophobicContact CB-CD1 3.97Å; T212-L377 HydrophobicContact CG2-CD1 3.63Å; Q375-L377 PolarHBondContact O-N 2.86Å; L377-F379 HydrophobicContact CD2-CE2 4.03Å; L377-F379 HydrophobicContact CD2-CZ 3.93Å; L377-F379 HydrophobicContact CG-CE2 3.92Å; L377-F379 HydrophobicContact CG-CZ 4.15Å; L377-P406 HydrophobicContact CD2-CG 4.47Å; L377-F408 HydrophobicContact CD2-CE2 3.9Å; L377-F408 HydrophobicContact CD2-CZ 4.32Å
378V91.8Very high88.7Confident10 Ų1047.9 Ų47.96%0.06126%0.256CS..  trans-108.6122.6-177.7-177.30000110N210 S211 R368 Q370 M380 F421N210-V378 CarbonylContact C-O 3.56Å; N210-V378 WeakPolarHBondContact CA-O 3.3Å; N210-V378 WeakPolarHBondContact CB-O 2.88Å; S211-V378 PolarHBondContact N-O 2.71Å; S211-V378 PolarHBondContact OG-N 2.75Å; R368-V378 HydrophobicContact CB-CG1 4.11Å; Q370-V378 HydrophobicContact CB-CG2 4.45Å; V378-M380 HydrophobicContact CG1-CG 4.31Å; V378-F421 HydrophobicContact CG1-CD2 4.34Å; V378-F421 HydrophobicContact CG1-CE2 3.84Å; V378-F421 HydrophobicContact CG2-CE2 3.96Å; V378-F421 HydrophobicContact CG2-CZ 4.27Å
379F93Very high88.4Confident1 Ų144.4 Ų44.40%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-86.1135.2173.7-64.6-91.6000110.3V208 P209 N210 R368 I369 P371 L377 Y400 F408V208-F379 HydrophobicContact CB-CD1 3.52Å; V208-F379 HydrophobicContact CB-CE1 3.85Å; V208-F379 HydrophobicContact CG1-CB 4.2Å; V208-F379 HydrophobicContact CG1-CD1 3.57Å; V208-F379 HydrophobicContact CG1-CE1 4.39Å; V208-F379 HydrophobicContact CG1-CG 4.27Å; P209-F379 CarbonylContact O-C 3.52Å; P209-F379 VanDerWaalsContact O-CA 3.31Å; P209-F379 WeakPolarHBondContact O-CA 3.22Å; N210-F379 HydrophobicContact CB-CD1 3.63Å; N210-F379 HydrophobicContact CB-CE1 3.94Å; N210-F379 HydrophobicContact CB-CG 4.11Å; R368-F379 WeakPolarHBondContact CA-O 3.42Å; I369-F379 HydrophobicContact CB-CB 4.49Å; I369-F379 PolarHBondContact N-O 2.55Å; I369-F379 PolarHBondContact O-N 3.07Å; P371-F379 VanDerWaalsContact CD-CD2 3.47Å; P371-F379 HydrophobicContact CG-CD2 3.78Å; P371-F379 HydrophobicContact CG-CE2 3.82Å; L377-F379 HydrophobicContact CD2-CE2 4.03Å; L377-F379 HydrophobicContact CD2-CZ 3.93Å; L377-F379 HydrophobicContact CG-CE2 3.92Å; L377-F379 HydrophobicContact CG-CZ 4.15Å; F379-Y400 HydrophobicContact CB-CD1 3.97Å; F379-Y400 HydrophobicContact CB-CE1 4.32Å; F379-Y400 HydrophobicContact CD1-CD1 4.21Å; F379-Y400 AromaticContact CD2-CD1 3.91Å; F379-Y400 HydrophobicContact CD2-CD1 3.91Å; F379-Y400 HydrophobicContact CE2-CD1 4.46Å; F379-Y400 AromaticContact CG-CD1 3.75Å; F379-Y400 HydrophobicContact CG-CD1 3.75Å; F379-F408 HydrophobicContact CE2-CD2 4.05Å; F379-F408 AromaticContact CE2-CE2 3.89Å; F379-F408 HydrophobicContact CE2-CE2 3.89Å; F379-F408 HydrophobicContact CZ-CD2 4.26Å; F379-F408 HydrophobicContact CZ-CE2 4.14Å
380M89.4Confident88.3Confident51 Ų5148.5 Ų48.525%0.25126%0.263SS..EExtended strand (participates in β ladder)trans-129.5120.5-172.8-60.7-179.6-70.200109.3F122 P209 R368 V378 G382F122-M380 HydrophobicContact CE1-CE 4.16Å; P209-M380 WeakPolarHBondContact CB-O 3.22Å; P209-M380 PolarHBondContact O-N 3.27Å; R368-M380 HydrophobicContact CG-CG 4.39Å; V378-M380 HydrophobicContact CG1-CG 4.31Å; M380-G382 VanDerWaalsContact C-N 3.3Å
381I82.7Confident88.1Confident4 Ų447.4 Ų47.42%0.02126%0.258CS..  trans-82.7-16178-72.3175.7000111.5Y224 P367 I369 H384 L396Y224-I381 HydrophobicContact CD1-CB 4.16Å; Y224-I381 HydrophobicContact CD1-CG1 3.96Å; Y224-I381 HydrophobicContact CD1-CG2 3.75Å; Y224-I381 HydrophobicContact CD2-CG2 3.39Å; Y224-I381 HydrophobicContact CE1-CB 4.36Å; Y224-I381 HydrophobicContact CE1-CG2 3.89Å; Y224-I381 WeakPolarHBondContact CE1-O 3.42Å; Y224-I381 HydrophobicContact CE2-CG2 3.56Å; Y224-I381 HydrophobicContact CG-CB 4.26Å; Y224-I381 HydrophobicContact CG-CD1 4.36Å; Y224-I381 HydrophobicContact CG-CG1 4.05Å; Y224-I381 HydrophobicContact CG-CG2 3.49Å; Y224-I381 VanDerWaalsContact CG-CG2 3.49Å; Y224-I381 PolarHBondContact OH-O 3.3Å; P367-I381 HydrophobicContact CB-CB 4.4Å; P367-I381 HydrophobicContact CB-CD1 4.05Å; P367-I381 HydrophobicContact CG-CB 4.29Å; P367-I381 HydrophobicContact CG-CD1 4.19Å; P367-I381 HydrophobicContact CG-CG2 4.49Å; P367-I381 PolarHBondContact O-N 3.08Å; I369-I381 HydrophobicContact CD1-CD1 4.09Å; I381-H384 PolarHBondContact O-NE2 3.25Å; I381-L396 HydrophobicContact CD1-CD2 3.33Å
382G81.3Confident88Confident17 Ų1747.7 Ų47.718%0.17526%0.258CS..  trans93166.3-175.100000112.1N366 M380 H384N366-G382 PolarHBondContact OD1-O 2.74Å; M380-G382 VanDerWaalsContact C-N 3.3Å; G382-H384 PolarHBondContact O-CD2 3Å
383L88.7Confident88Confident102 Ų10246.6 Ų46.653%0.53425%0.252SS..  trans-87.3123.7179.1177.167.6000110.1C364 V365 N366C364-L383 HydrophobicContact CB-CD1 3.93Å; V365-L383 CarbonylContact O-C 3.59Å; V365-L383 WeakPolarHBondContact O-CA 3.48Å; N366-L383 HydrophobicContact CB-CB 4.33Å; N366-L383 HydrophobicContact CB-CD1 3.83Å
384H88Confident88.1Confident52 Ų5242.5 Ų42.524%0.24123%0.227CC..EExtended strand (participates in β ladder)trans-128.2134.2-179-60.2-88.7000111Y224 I226 C364 V365 I381 G382Y224-H384 AromaticContact CE2-CE1 3.91Å; Y224-H384 AromaticContact CE2-NE2 3.63Å; Y224-H384 AromaticContact CZ-NE2 3.79Å; Y224-H384 PolarHBondContact OH-CE1 3.3Å; Y224-H384 PolarHBondContact OH-NE2 2.86Å; I226-H384 HydrophobicContact CD1-CB 3.32Å; I226-H384 WeakPolarHBondContact CD1-CD2 3.5Å; C364-H384 CarbonylContact C-O 3.59Å; C364-H384 WeakPolarHBondContact CA-O 3.35Å; V365-H384 HydrophobicContact CG1-CB 3.88Å; V365-H384 PolarHBondContact N-O 3.38Å; V365-H384 PolarHBondContact O-N 2.93Å; I381-H384 PolarHBondContact O-NE2 3.25Å; G382-H384 PolarHBondContact O-CD2 3Å
385K89.4Confident88.2Confident134 Ų13437 Ų3758%0.58319%0.193SC*.EExtended strand (participates in β ladder)trans-93.4118.7177.2-61.3-163.5170.9-173.60110.4
386L88.3Confident88.4Confident1 Ų134.1 Ų34.11%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-86.5131.9177.4-52.1-179000109.7I226 V354 T356 H362 V363 V365 W392I226-L386 HydrophobicContact CG2-CD2 3.7Å; V354-L386 HydrophobicContact CB-CD1 4Å; V354-L386 HydrophobicContact CG1-CD1 3.83Å; V354-L386 HydrophobicContact CG2-CD1 4.32Å; T356-L386 HydrophobicContact CG2-CB 4.02Å; H362-L386 PolarHBondContact ND1-O 3.4Å; V363-L386 HydrophobicContact CB-CB 4.35Å; V363-L386 HydrophobicContact CB-CD1 4.47Å; V363-L386 HydrophobicContact CG1-CD1 4.32Å; V363-L386 WeakPolarHBondContact O-CA 3.26Å; V363-L386 WeakPolarHBondContact O-CB 3.41Å; V363-L386 WeakPolarHBondContact O-CG 3.46Å; V363-L386 PolarHBondContact O-N 3.46Å; V365-L386 HydrophobicContact CG1-CD1 4.35Å; V365-L386 HydrophobicContact CG1-CD2 4.06Å; V365-L386 HydrophobicContact CG1-CG 4.21Å; L386-W392 HydrophobicContact CB-CD2 4.23Å; L386-W392 HydrophobicContact CB-CG 4.15Å; L386-W392 HydrophobicContact CD1-CB 4.13Å; L386-W392 HydrophobicContact CD1-CG 4.19Å; L386-W392 HydrophobicContact CD2-CB 4.31Å; L386-W392 HydrophobicContact CD2-CD2 3.94Å; L386-W392 HydrophobicContact CD2-CE3 4.02Å; L386-W392 HydrophobicContact CD2-CG 4.07Å; L386-W392 HydrophobicContact CG-CG 4.37Å
387G81.8Confident88.6Confident19 Ų1927.1 Ų27.120%0.19614%0.142CC..PPolyproline II helixtrans-66.9152178.300000112.6T356 W392T356-G387 WeakPolarHBondContact CB-O 3.31Å; T356-G387 WeakPolarHBondContact CG2-O 3.43Å; T356-G387 PolarHBondContact OG1-O 3.28Å; G387-W392 PolarHBondContact O-NE1 2.93Å
388P85.8Confident88.6Confident41 Ų4127.5 Ų27.527%0.26614%0.143SC..THydrogen-bonded Turntrans-72.2160-178.231-36.7000112.1T356 K390T356-P388 VanDerWaalsContact OG1-C 3.31Å; P388-K390 VanDerWaalsContact C-N 3.27Å; P388-K390 WeakPolarHBondContact O-CG 3.46Å; P388-K390 PolarHBondContact O-N 3.45Å
389S86.2Confident88.6Confident15 Ų1527 Ų2711%0.10514%0.14CC..THydrogen-bonded Turntrans57.830.3175.2-49.90000115.7S232 Y279 T356 P357 K358S232-S389 PolarHBondContact N-O 3.28Å; S232-S389 PolarHBondContact OG-O 2.77Å; Y279-S389 PolarHBondContact OH-OG 3.34Å; T356-S389 PolarHBondContact OG1-N 3.09Å; T356-S389 VanDerWaalsContact OG1-N 3.15Å; P357-S389 PolarHBondContact O-N 3.05Å; K358-S389 WeakPolarHBondContact CA-OG 3.34Å
390K89.5Confident88.5Confident87 Ų8727 Ų2738%0.37814%0.14SC..EExtended strand (participates in β ladder)trans-131159.5-175.4-65.1-62.7177.91750111.8G230 T356 P388 W392G230-K390 CarbonylContact O-C 3.45Å; G230-K390 VanDerWaalsContact O-CA 3.25Å; G230-K390 WeakPolarHBondContact O-CA 3.49Å; G230-K390 WeakPolarHBondContact O-CB 2.84Å; G230-K390 WeakPolarHBondContact O-CD 3.49Å; T356-K390 PolarHBondContact N-O 2.83Å; T356-K390 PolarHBondContact OG1-N 2.78Å; T356-K390 PolarHBondContact OG1-O 3.41Å; T356-K390 VanDerWaalsContact OG1-O 3.09Å; P388-K390 VanDerWaalsContact C-N 3.27Å; P388-K390 WeakPolarHBondContact O-CG 3.46Å; P388-K390 PolarHBondContact O-N 3.45Å; K390-W392 HydrophobicContact CB-CZ2 4.25Å; K390-W392 VanDerWaalsContact CB-NE1 3.31Å; K390-W392 HydrophobicContact CG-CZ2 4.4Å
391Y89.3Confident88.3Confident1 Ų125.9 Ų25.90%0.00413%0.134CC..EExtended strand (participates in β ladder)trans-103.1121169.7171.2-149.4000108.7V229 G230 K234 L241 H353 V355 I393V229-Y391 HydrophobicContact CB-CD1 3.51Å; V229-Y391 HydrophobicContact CB-CE1 3.86Å; V229-Y391 HydrophobicContact CB-CG 4Å; V229-Y391 WeakPolarHBondContact CB-O 3.18Å; V229-Y391 HydrophobicContact CG1-CD1 3.42Å; V229-Y391 VanDerWaalsContact CG1-CD1 3.42Å; V229-Y391 HydrophobicContact CG1-CE1 3.58Å; V229-Y391 HydrophobicContact CG1-CG 4.37Å; V229-Y391 HydrophobicContact CG2-CD1 4.06Å; V229-Y391 HydrophobicContact CG2-CE1 3.96Å; V229-Y391 HydrophobicContact CG2-CG 4.46Å; V229-Y391 PolarHBondContact N-O 3.29Å; G230-Y391 PolarHBondContact O-N 3.26Å; K234-Y391 HydrophobicContact CB-CD1 4.11Å; K234-Y391 HydrophobicContact CD-CD1 4.43Å; L241-Y391 HydrophobicContact CD2-CE1 4.12Å; L241-Y391 HydrophobicContact CD2-CE2 3.98Å; H353-Y391 HydrophobicContact CB-CE2 4.11Å; H353-Y391 PolarHBondContact CE1-OH 3.38Å; H353-Y391 AromaticContact ND1-CE2 3.76Å; H353-Y391 AromaticContact ND1-CZ 3.65Å; H353-Y391 PolarHBondContact ND1-OH 2.81Å; V355-Y391 HydrophobicContact CG2-CD2 3.57Å; V355-Y391 HydrophobicContact CG2-CE2 4.34Å; V355-Y391 HydrophobicContact CG2-CG 4.02Å; Y391-I393 HydrophobicContact CE2-CD1 4.45Å; Y391-I393 HydrophobicContact CE2-CG1 3.89Å
392W90Very high88.2Confident13 Ų1326.9 Ų26.95%0.04914%0.139CC..EExtended strand (participates in β ladder)trans-116.5147.3-177.7-60.990.3000111.1I226 V227 C228 V354 L386 G387 K390I226-W392 HydrophobicContact CG2-CE3 3.98Å; I226-W392 HydrophobicContact CG2-CZ3 4.36Å; V227-W392 CarbonylContact O-C 3.5Å; V227-W392 VanDerWaalsContact O-CA 3.31Å; V227-W392 WeakPolarHBondContact O-CA 3.49Å; C228-W392 HydrophobicContact CB-CD2 4.29Å; C228-W392 HydrophobicContact CB-CE3 3.76Å; C228-W392 HydrophobicContact CB-CH2 3.67Å; C228-W392 HydrophobicContact CB-CZ2 4.18Å; C228-W392 HydrophobicContact CB-CZ3 3.45Å; C228-W392 VanDerWaalsContact CB-CZ3 3.45Å; V354-W392 HydrophobicContact CB-CB 4.48Å; V354-W392 PolarHBondContact N-O 3.18Å; V354-W392 PolarHBondContact O-N 3.47Å; L386-W392 HydrophobicContact CB-CD2 4.23Å; L386-W392 HydrophobicContact CB-CG 4.15Å; L386-W392 HydrophobicContact CD1-CB 4.13Å; L386-W392 HydrophobicContact CD1-CG 4.19Å; L386-W392 HydrophobicContact CD2-CB 4.31Å; L386-W392 HydrophobicContact CD2-CD2 3.94Å; L386-W392 HydrophobicContact CD2-CE3 4.02Å; L386-W392 HydrophobicContact CD2-CG 4.07Å; L386-W392 HydrophobicContact CG-CG 4.37Å; G387-W392 PolarHBondContact O-NE1 2.93Å; K390-W392 HydrophobicContact CB-CZ2 4.25Å; K390-W392 VanDerWaalsContact CB-NE1 3.31Å; K390-W392 HydrophobicContact CG-CZ2 4.4Å
393I90Very high87.8Confident0 Ų030 Ų300%016%0.157CC..EExtended strand (participates in β ladder)trans-123.4125.5169-65.9173.2000107.9G74 V227 V229 R351 I352 Y391G74-I393 VanDerWaalsContact C-CD1 3.49Å; G74-I393 WeakPolarHBondContact O-CD1 3.49Å; V227-I393 PolarHBondContact N-O 3.15Å; V227-I393 PolarHBondContact O-N 3.13Å; V229-I393 HydrophobicContact CG2-CB 4.43Å; V229-I393 HydrophobicContact CG2-CD1 3.53Å; V229-I393 HydrophobicContact CG2-CG1 3.75Å; R351-I393 HydrophobicContact CB-CG2 4.13Å; R351-I393 HydrophobicContact CG-CG2 3.95Å; I352-I393 WeakPolarHBondContact O-CA 3.31Å; Y391-I393 HydrophobicContact CE2-CD1 4.45Å; Y391-I393 HydrophobicContact CE2-CG1 3.89Å
394V90.5Very high87Confident0 Ų029.1 Ų29.10%017%0.172CC..EExtended strand (participates in β ladder)trans-99.8105.8171-177.90000107.1I226 R351 I352 V365 P367 L396I226-V394 HydrophobicContact CG1-CG1 4.27Å; I226-V394 HydrophobicContact CG1-CG2 4.35Å; R351-V394 WeakPolarHBondContact CA-O 3.39Å; I352-V394 HydrophobicContact CB-CB 4.3Å; I352-V394 PolarHBondContact N-O 3.46Å; I352-V394 PolarHBondContact O-N 3.17Å; V365-V394 HydrophobicContact CG1-CG2 4.02Å; V365-V394 HydrophobicContact CG2-CG1 4.45Å; V365-V394 HydrophobicContact CG2-CG2 4.07Å; P367-V394 HydrophobicContact CG-CG1 4.26Å; V394-L396 HydrophobicContact CG1-CD2 4.22Å
395R90.7Very high86.4Confident6 Ų627.6 Ų27.62%0.02317%0.17CC..EExtended strand (participates in β ladder)trans-85.3117175.1-173.4-157.154.285-16.7109.4N73 N91 F95 S223 Y224 A225 T350 R351N73-R395 WeakPolarHBondContact OD1-CD 3.49Å; N73-R395 PolarHBondContact OD1-NE 3.35Å; N91-R395 PolarHBondContact O-NH2 3.37Å; N91-R395 VanDerWaalsContact O-NH2 3.12Å; F95-R395 VanDerWaalsContact CE1-CD 3.49Å; F95-R395 VanDerWaalsContact CZ-CD 3.48Å; S223-R395 VanDerWaalsContact C-NH2 3.27Å; S223-R395 PolarHBondContact O-NH1 3.32Å; S223-R395 PolarHBondContact O-NH2 3.04Å; Y224-R395 WeakPolarHBondContact CA-O 3.47Å; Y224-R395 WeakPolarHBondContact CB-O 3.38Å; A225-R395 HydrophobicContact CB-CB 4.27Å; A225-R395 PolarHBondContact N-O 2.96Å; A225-R395 VanDerWaalsContact N-O 3.14Å; A225-R395 PolarHBondContact O-N 2.91Å; T350-R395 WeakPolarHBondContact O-CA 3.08Å; R351-R395 HydrophobicContact CG-CB 4.36Å; R351-R395 HydrophobicContact CG-CG 4.26Å
396L91.3Very high85.8Confident1 Ų123.8 Ų23.81%0.00516%0.159CC..PPolyproline II helixtrans-78.1157.2173.1-55.2-174000111L349 T350 I352 P367 I369 I381 V394L349-L396 HydrophobicContact CD2-CD1 4.03Å; L349-L396 HydrophobicContact CG-CD1 4.08Å; T350-L396 PolarHBondContact O-N 2.7Å; I352-L396 HydrophobicContact CD1-CD1 4.11Å; I352-L396 HydrophobicContact CD1-CD2 4.02Å; I352-L396 HydrophobicContact CD1-CG 4.24Å; P367-L396 HydrophobicContact CB-CD2 4.08Å; P367-L396 HydrophobicContact CG-CD2 4.18Å; I369-L396 HydrophobicContact CD1-CD1 4Å; I369-L396 HydrophobicContact CD1-CD2 3.93Å; I369-L396 HydrophobicContact CD1-CG 4.42Å; I381-L396 HydrophobicContact CD1-CD2 3.33Å; V394-L396 HydrophobicContact CG1-CD2 4.22Å
397P92Very high85.2Confident0 Ų026.7 Ų26.70%018%0.177CC..PPolyproline II helixtrans-53.6146.5172.5-25.934.4000112.6V208 S223 Y400V208-P397 HydrophobicContact CG1-CB 4.38Å; V208-P397 HydrophobicContact CG1-CG 3.68Å; V208-P397 HydrophobicContact CG2-CB 3.93Å; V208-P397 HydrophobicContact CG2-CG 4.12Å; S223-P397 WeakPolarHBondContact O-CA 3.34Å; P397-Y400 HydrophobicContact CB-CD1 4.4Å; P397-Y400 HydrophobicContact CB-CE1 4.08Å; P397-Y400 HydrophobicContact CB-CE2 4.36Å; P397-Y400 HydrophobicContact CG-CE1 4.01Å; P397-Y400 WeakPolarHBondContact O-CE2 3.44Å
398F91.3Very high85Confident23 Ų2326.1 Ų26.110%0.10117%0.169CC..SBendtrans-83.2-42.1174.7177.1-113.6000111.3F68 P84 N91 L348F68-F398 HydrophobicContact CE1-CZ 4.31Å; F68-F398 HydrophobicContact CE2-CE1 4.1Å; F68-F398 AromaticContact CE2-CE2 3.85Å; F68-F398 HydrophobicContact CE2-CE2 3.85Å; F68-F398 AromaticContact CE2-CZ 3.43Å; F68-F398 HydrophobicContact CE2-CZ 3.43Å; F68-F398 VanDerWaalsContact CE2-CZ 3.43Å; F68-F398 AromaticContact CZ-CE1 3.66Å; F68-F398 HydrophobicContact CZ-CE1 3.66Å; F68-F398 HydrophobicContact CZ-CE2 4.13Å; F68-F398 AromaticContact CZ-CZ 3.23Å; F68-F398 HydrophobicContact CZ-CZ 3.23Å; P84-F398 HydrophobicContact CG-CE1 4.27Å; N91-F398 WeakPolarHBondContact OD1-CA 3.49Å; N91-F398 PolarHBondContact OD1-N 3.46Å; L348-F398 HydrophobicContact CD2-CD2 4.15Å; L348-F398 WeakPolarHBondContact CD2-O 3.33Å
399I91.9Very high84.5Confident0 Ų028.2 Ų28.20%017%0.172CC..  trans-117.2130.2173.6-62-63.5000109.2M37 L87 A90 N91 V208 H401 T407 W409M37-I399 HydrophobicContact CB-CD1 4.21Å; M37-I399 HydrophobicContact CB-CG1 4.02Å; M37-I399 HydrophobicContact CB-CG2 4.21Å; M37-I399 HydrophobicContact CE-CG2 3.85Å; L87-I399 HydrophobicContact CD2-CB 4.22Å; L87-I399 HydrophobicContact CD2-CG2 3.92Å; A90-I399 HydrophobicContact CB-CB 4.08Å; A90-I399 HydrophobicContact CB-CG1 3.75Å; N91-I399 PolarHBondContact ND2-O 3.31Å; N91-I399 PolarHBondContact OD1-N 3.28Å; V208-I399 WeakPolarHBondContact CG2-O 3.48Å; I399-H401 HydrophobicContact CG2-CB 3.81Å; I399-T407 HydrophobicContact CG2-CG2 4.44Å; I399-W409 HydrophobicContact CD1-CB 4.16Å; I399-W409 HydrophobicContact CD1-CG 4.3Å
400Y91.2Very high84Confident0 Ų031.8 Ų31.80%018%0.183CC..BIsolated β-bridgetrans-98.797.7170.9-60.6-99.5000107.3L332 L348 I369 P371 F379 P397 F408L332-Y400 HydrophobicContact CD1-CE2 4.38Å; L332-Y400 HydrophobicContact CD2-CD2 4.32Å; L332-Y400 HydrophobicContact CD2-CE2 3.92Å; L348-Y400 HydrophobicContact CD1-CE2 4.35Å; I369-Y400 HydrophobicContact CB-CE1 4.11Å; I369-Y400 HydrophobicContact CD1-CE1 3.96Å; I369-Y400 WeakPolarHBondContact CD1-OH 3.45Å; I369-Y400 HydrophobicContact CG2-CD1 4.36Å; I369-Y400 HydrophobicContact CG2-CE1 3.66Å; P371-Y400 HydrophobicContact CG-CD1 3.83Å; P371-Y400 HydrophobicContact CG-CD2 4.13Å; P371-Y400 HydrophobicContact CG-CG 3.57Å; F379-Y400 HydrophobicContact CB-CD1 3.97Å; F379-Y400 HydrophobicContact CB-CE1 4.32Å; F379-Y400 HydrophobicContact CD1-CD1 4.21Å; F379-Y400 AromaticContact CD2-CD1 3.91Å; F379-Y400 HydrophobicContact CD2-CD1 3.91Å; F379-Y400 HydrophobicContact CE2-CD1 4.46Å; F379-Y400 AromaticContact CG-CD1 3.75Å; F379-Y400 HydrophobicContact CG-CD1 3.75Å; P397-Y400 HydrophobicContact CB-CD1 4.4Å; P397-Y400 HydrophobicContact CB-CE1 4.08Å; P397-Y400 HydrophobicContact CB-CE2 4.36Å; P397-Y400 HydrophobicContact CG-CE1 4.01Å; P397-Y400 WeakPolarHBondContact O-CE2 3.44Å; Y400-F408 VanDerWaalsContact O-CD2 3.25Å; Y400-F408 WeakPolarHBondContact O-CD2 3.37Å; Y400-F408 PolarHBondContact O-N 3.29Å
401H84.2Confident83.4Confident28 Ų2828.4 Ų28.413%0.1317%0.173CC..  trans-147.7155.3177.317270000109.3M37 L87 V208 I399 G405 P406 T407M37-H401 HydrophobicContact CE-CB 3.57Å; M37-H401 WeakPolarHBondContact CE-CD2 3.35Å; M37-H401 VanDerWaalsContact CE-CG 3.41Å; L87-H401 HydrophobicContact CD1-CB 4.18Å; L87-H401 VanDerWaalsContact CD1-CD2 3.46Å; L87-H401 WeakPolarHBondContact CD1-CD2 3.35Å; L87-H401 VanDerWaalsContact CD1-O 3.29Å; L87-H401 WeakPolarHBondContact CD1-O 3.34Å; L87-H401 HydrophobicContact CD2-CB 3.84Å; L87-H401 HydrophobicContact CG-CB 4.23Å; V208-H401 PolarHBondContact N-O 2.7Å; I399-H401 HydrophobicContact CG2-CB 3.81Å; H401-G405 PolarHBondContact CE1-O 2.95Å; H401-G405 VanDerWaalsContact CE1-O 3.26Å; H401-G405 PolarHBondContact ND1-O 3.24Å; H401-P406 PolarHBondContact ND1-O 3.15Å; H401-T407 HydrophobicContact CB-CG2 4.37Å; H401-T407 PolarHBondContact CE1-OG1 3.36Å; H401-T407 PolarHBondContact ND1-OG1 2.95Å
402N80.4Confident83.2Confident24 Ų2433.7 Ų33.713%0.12820%0.198CC..  trans-138.2136.8170.8-175.614000105.5V206 G404 G405V206-N402 PolarHBondContact O-OD1 2.94Å; N402-G404 PolarHBondContact O-N 2.93Å; N402-G405 CarbonylContact O-C 3.57Å; N402-G405 WeakPolarHBondContact O-CA 3.47Å; N402-G405 PolarHBondContact O-N 3.25Å
403P72.8Confident83Confident84 Ų8433.6 Ų33.655%0.54520%0.201SC..THydrogen-bonded Turntrans-53.7-28.5-177.1-30.937.2000115.1V206V206-P403 HydrophobicContact CB-CG 4.01Å; V206-P403 HydrophobicContact CG1-CG 4.18Å; V206-P403 WeakPolarHBondContact O-CD 3.42Å
404G73.7Confident82.7Confident82 Ų8237 Ų3785%0.84522%0.219SC*.THydrogen-bonded Turntrans-89.72.2173.400000115.2N402N402-G404 PolarHBondContact O-N 2.93Å
405G75.1Confident82.4Confident21 Ų2139 Ų3922%0.21624%0.236CC..SBendtrans-129.2168-172.300000113.2H401 N402H401-G405 PolarHBondContact CE1-O 2.95Å; H401-G405 VanDerWaalsContact CE1-O 3.26Å; H401-G405 PolarHBondContact ND1-O 3.24Å; N402-G405 CarbonylContact O-C 3.57Å; N402-G405 WeakPolarHBondContact O-CA 3.47Å; N402-G405 PolarHBondContact O-N 3.25Å
406P76.5Confident82.2Confident54 Ų5440.4 Ų40.435%0.35125%0.246SC..  trans-63.9153179.215.8-21.2000112.8L377 H401 F408L377-P406 HydrophobicContact CD2-CG 4.47Å; H401-P406 PolarHBondContact ND1-O 3.15Å; P406-F408 HydrophobicContact CB-CE1 3.97Å; P406-F408 HydrophobicContact CB-CE2 4.32Å; P406-F408 HydrophobicContact CB-CZ 3.82Å; P406-F408 HydrophobicContact CG-CE1 4Å; P406-F408 HydrophobicContact CG-CE2 3.96Å; P406-F408 HydrophobicContact CG-CZ 3.41Å; P406-F408 VanDerWaalsContact CG-CZ 3.41Å
407T76.1Confident82Confident62 Ų6243.8 Ų43.838%0.3826%0.261SS..  trans-91.8126.8172.5-56.40000109.6M37 I399 H401M37-T407 HydrophobicContact CE-CG2 3.83Å; M37-T407 VanDerWaalsContact O-CG2 3.3Å; M37-T407 WeakPolarHBondContact O-CG2 3.23Å; I399-T407 HydrophobicContact CG2-CG2 4.44Å; H401-T407 HydrophobicContact CB-CG2 4.37Å; H401-T407 PolarHBondContact CE1-OG1 3.36Å; H401-T407 PolarHBondContact ND1-OG1 2.95Å
408F76.3Confident81.9Confident7 Ų744.4 Ų44.43%0.03127%0.268CS..BIsolated β-bridgetrans-112.899.2178-52.9-70.3000111.4W333 P371 D372 L377 F379 Y400 P406W333-F408 HydrophobicContact CH2-CB 4.24Å; P371-F408 HydrophobicContact CB-CB 3.65Å; P371-F408 HydrophobicContact CB-CD1 4.21Å; P371-F408 HydrophobicContact CB-CD2 3.78Å; P371-F408 HydrophobicContact CB-CE2 4.42Å; P371-F408 HydrophobicContact CB-CG 3.62Å; P371-F408 HydrophobicContact CG-CB 4.39Å; P371-F408 HydrophobicContact CG-CD2 4.1Å; P371-F408 HydrophobicContact CG-CG 4.38Å; D372-F408 HydrophobicContact CB-CD1 3.76Å; D372-F408 HydrophobicContact CB-CE1 3.21Å; D372-F408 HydrophobicContact CB-CZ 3.82Å; L377-F408 HydrophobicContact CD2-CE2 3.9Å; L377-F408 HydrophobicContact CD2-CZ 4.32Å; F379-F408 HydrophobicContact CE2-CD2 4.05Å; F379-F408 AromaticContact CE2-CE2 3.89Å; F379-F408 HydrophobicContact CE2-CE2 3.89Å; F379-F408 HydrophobicContact CZ-CD2 4.26Å; F379-F408 HydrophobicContact CZ-CE2 4.14Å; Y400-F408 VanDerWaalsContact O-CD2 3.25Å; Y400-F408 WeakPolarHBondContact O-CD2 3.37Å; Y400-F408 PolarHBondContact O-N 3.29Å; P406-F408 HydrophobicContact CB-CE1 3.97Å; P406-F408 HydrophobicContact CB-CE2 4.32Å; P406-F408 HydrophobicContact CB-CZ 3.82Å; P406-F408 HydrophobicContact CG-CE1 4Å; P406-F408 HydrophobicContact CG-CE2 3.96Å; P406-F408 HydrophobicContact CG-CZ 3.41Å; P406-F408 VanDerWaalsContact CG-CZ 3.41Å
409W76.1Confident81.8Confident85 Ų8545 Ų4532%0.32227%0.272SS..  trans-134.1145.3163.7-177.387.7000109.2C38 I399 G411C38-W409 HydrophobicContact CB-CD2 3.69Å; C38-W409 HydrophobicContact CB-CE3 4.18Å; C38-W409 HydrophobicContact CB-CG 3.97Å; C38-W409 HydrophobicContact CB-CH2 4.4Å; C38-W409 HydrophobicContact CB-CZ2 3.99Å; C38-W409 HydrophobicContact CB-CZ3 4.5Å; C38-W409 WeakPolarHBondContact O-CZ3 3.37Å; C38-W409 VanDerWaalsContact SG-CD1 3.54Å; C38-W409 PolarHBondContact SG-NE1 3.47Å; C38-W409 VanDerWaalsContact SG-NE1 3.42Å; I399-W409 HydrophobicContact CD1-CB 4.16Å; I399-W409 HydrophobicContact CD1-CG 4.3Å; W409-G411 VanDerWaalsContact CH2-CA 3.41Å
410R74.5Confident81.8Confident89 Ų8945.1 Ų45.134%0.33627%0.273SS..  trans-136122.9179.6-65.2-68-172.9-98.90.4108.7W333 L346 E417W333-R410 HydrophobicContact CD2-CG 4.5Å; L346-R410 HydrophobicContact CD1-CB 3.82Å; R410-E417 IonicContact NE-OE2 2.71Å; R410-E417 PolarHBondContact NE-OE2 3.03Å
411G76.7Confident81.8Confident17 Ų1747.3 Ų47.318%0.17528%0.282CS..  trans-94.7-50.6179.400000113.1L345 L346 W409L345-G411 WeakPolarHBondContact CA-O 3.46Å; L346-G411 PolarHBondContact N-O 3.41Å; W409-G411 VanDerWaalsContact CH2-CA 3.41Å
412E85.9Confident82.1Confident112 Ų11250.6 Ų50.652%0.52330%0.296SS..EExtended strand (participates in β ladder)trans-122.7147.3-177.5-65.6-171.3152.900111.3R339 F344 L345R339-E412 IonicContact NH1-OE1 3.37Å; R339-E412 PolarHBondContact NH1-OE1 3.41Å; F344-E412 CarbonylContact O-C 3.52Å; F344-E412 VanDerWaalsContact O-CA 3.25Å; F344-E412 WeakPolarHBondContact O-CA 3.44Å; L345-E412 HydrophobicContact CD2-CG 4.06Å
413G85Confident82.4Confident11 Ų1153.9 Ų53.911%0.11331%0.311CS..EExtended strand (participates in β ladder)trans-179.6158.9179.200000113F344F344-G413 WeakPolarHBondContact CB-O 3.45Å; F344-G413 PolarHBondContact N-O 2.93Å; F344-G413 PolarHBondContact O-N 2.82Å
414D84.1Confident83.1Confident70 Ų7050.9 Ų50.937%0.37429%0.289SS..SBendtrans-107-13-173.5-90.77.8000114.1K342K342-D414 WeakPolarHBondContact CD-OD2 3.49Å; K342-D414 WeakPolarHBondContact CE-OD2 3.36Å; K342-D414 IonicContact NZ-OD2 3.47Å; K342-D414 PolarHBondContact NZ-OD2 3.3Å
415A85.3Confident83.8Confident42 Ų4247.2 Ų47.235%0.34725%0.25SS..SBendtrans-134.2159.3-175.700000110.5
416P85.5Confident84.5Confident37 Ų3750.6 Ų50.624%0.2426%0.261CS..  trans-62.2140.2170.1-17.931.1000111.3P331 W333 F334P331-P416 HydrophobicContact CB-CB 3.57Å; P331-P416 HydrophobicContact CG-CB 3.53Å; P331-P416 HydrophobicContact CG-CG 4.45Å; W333-P416 CarbonylContact O-C 3.47Å; W333-P416 VanDerWaalsContact O-CA 3.22Å; W333-P416 WeakPolarHBondContact O-CA 3.35Å; F334-P416 HydrophobicContact CD1-CB 4.3Å
417E87.5Confident85Confident71 Ų7149 Ų4933%0.33225%0.25SC..BIsolated β-bridgetrans-136.1159.2-175.7-75-174-154.600111.8L332 W333 R410L332-E417 PolarHBondContact N-O 3.13Å; W333-E417 HydrophobicContact CB-CB 4.27Å; W333-E417 PolarHBondContact N-O 3.45Å; W333-E417 PolarHBondContact O-N 2.67Å; R410-E417 IonicContact NE-OE2 2.71Å; R410-E417 PolarHBondContact NE-OE2 3.03Å
418G89.6Confident85.4Confident13 Ų1349 Ų4913%0.13425%0.248CC..SBendtrans65170.8-17500000112.9P331 L332 Q370 P371P331-G418 WeakPolarHBondContact CA-O 3.44Å; L332-G418 PolarHBondContact N-O 3.36Å; Q370-G418 WeakPolarHBondContact O-CA 3.41Å; P371-G418 WeakPolarHBondContact O-CA 3.37Å
419L90.3Very high85.8Confident37 Ų3750.2 Ų50.219%0.19426%0.256CS..EExtended strand (participates in β ladder)trans-133.5133.1-173.5-15671000110.7D329 M330 I369 Q370 T373 F421D329-L419 HydrophobicContact CB-CD1 3.53Å; D329-L419 HydrophobicContact CB-CD2 4.42Å; D329-L419 HydrophobicContact CB-CG 4.02Å; M330-L419 CarbonylContact O-C 3.58Å; I369-L419 CarbonylContact C-O 3.58Å; I369-L419 WeakPolarHBondContact CA-O 3.46Å; Q370-L419 HydrophobicContact CB-CB 4.24Å; Q370-L419 PolarHBondContact N-O 3.12Å; Q370-L419 PolarHBondContact O-N 3.47Å; T373-L419 HydrophobicContact CG2-CB 4.14Å; L419-F421 HydrophobicContact CD2-CD1 3.96Å; L419-F421 HydrophobicContact CD2-CE1 3.69Å; L419-F421 HydrophobicContact CD2-CZ 4.01Å
420V90.4Very high86.1Confident2 Ų249 Ų491%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-109.8113.6161.3-176.50000105.1M330 L332 L349 I369 M424M330-V420 HydrophobicContact CB-CB 4.36Å; M330-V420 HydrophobicContact CE-CB 4.27Å; M330-V420 HydrophobicContact CE-CG1 4.26Å; M330-V420 PolarHBondContact N-O 3.34Å; M330-V420 WeakPolarHBondContact O-CA 3.32Å; M330-V420 WeakPolarHBondContact O-CB 2.94Å; M330-V420 PolarHBondContact O-N 3.41Å; L332-V420 HydrophobicContact CB-CG2 4.27Å; L332-V420 HydrophobicContact CD1-CG2 4.03Å; L349-V420 HydrophobicContact CD2-CG2 4.14Å; I369-V420 HydrophobicContact CG1-CG1 4.42Å; I369-V420 HydrophobicContact CG1-CG2 4.37Å; V420-M424 HydrophobicContact CG1-CE 4.43Å; V420-M424 HydrophobicContact CG1-SD 3.81Å
421F91.5Very high86.4Confident45 Ų4547.1 Ų47.120%0.19725%0.25CS..  trans-64.5144.8-174-72.1-84.5000111.1D329 R368 Q370 V378 L419D329-F421 WeakPolarHBondContact OD1-CA 3.49Å; R368-F421 HydrophobicContact CB-CB 4.11Å; R368-F421 HydrophobicContact CB-CD2 3.65Å; R368-F421 HydrophobicContact CB-CG 4.25Å; R368-F421 WeakPolarHBondContact O-CD2 3.49Å; R368-F421 PolarHBondContact O-N 3.11Å; Q370-F421 HydrophobicContact CB-CE2 3.88Å; Q370-F421 HydrophobicContact CB-CZ 4.3Å; Q370-F421 VanDerWaalsContact OE1-CZ 3.29Å; V378-F421 HydrophobicContact CG1-CD2 4.34Å; V378-F421 HydrophobicContact CG1-CE2 3.84Å; V378-F421 HydrophobicContact CG2-CE2 3.96Å; V378-F421 HydrophobicContact CG2-CZ 4.27Å; L419-F421 HydrophobicContact CD2-CD1 3.96Å; L419-F421 HydrophobicContact CD2-CE1 3.69Å; L419-F421 HydrophobicContact CD2-CZ 4.01Å
422K90.5Very high86.6Confident98 Ų9850 Ų5043%0.42627%0.266SS..THydrogen-bonded Turntrans-53.6166.1168.663.3178173.5-177.20112.8Q327 E328 D329 M424Q327-K422 WeakPolarHBondContact O-CB 3.35Å; Q327-K422 WeakPolarHBondContact O-CD 3.44Å; E328-K422 WeakPolarHBondContact O-CB 3.47Å; D329-K422 WeakPolarHBondContact OD1-CG 3.29Å; D329-K422 PolarHBondContact OD1-N 3.41Å; K422-M424 PolarHBondContact O-N 3.3Å; K422-M424 VanDerWaalsContact O-N 3.12Å
423H87.5Confident86.2Confident93 Ų9346.8 Ų46.843%0.43126%0.255SS..THydrogen-bonded Turntrans57.223-177.5-51-55.3000113.5V326 L425V326-H423 PolarHBondContact O-N 2.73Å; H423-L425 PolarHBondContact O-N 3Å
424M87.4Confident85.5Confident20 Ų2053.2 Ų53.210%0.09928%0.282CS..  trans-58.8-30.5170.4169.9177.871.200111.6I352 V365 N366 P367 V420 K422I352-M424 HydrophobicContact CD1-CE 3.39Å; I352-M424 HydrophobicContact CD1-SD 3.4Å; I352-M424 WeakPolarHBondContact CD1-SD 3.27Å; I352-M424 HydrophobicContact CG1-CE 4.12Å; I352-M424 HydrophobicContact CG2-CE 4.38Å; V365-M424 CarbonylContact C-O 3.54Å; V365-M424 WeakPolarHBondContact CA-O 3.32Å; V365-M424 HydrophobicContact CG2-CG 4.19Å; N366-M424 PolarHBondContact N-O 3.36Å; P367-M424 HydrophobicContact CB-CG 4.04Å; P367-M424 HydrophobicContact CB-SD 3.67Å; P367-M424 HydrophobicContact CG-CG 3.98Å; P367-M424 HydrophobicContact CG-SD 3.83Å; V420-M424 HydrophobicContact CG1-CE 4.43Å; V420-M424 HydrophobicContact CG1-SD 3.81Å; K422-M424 PolarHBondContact O-N 3.3Å; K422-M424 VanDerWaalsContact O-N 3.12Å
425L89.1Confident84.5Confident5 Ų554.9 Ų54.93%0.02630%0.299CS..EExtended strand (participates in β ladder)trans-113.8135176.7-66.2171.4000110.3W257 I308 V326 V354 V363 C364 V365 H423W257-L425 HydrophobicContact CH2-CB 4.37Å; W257-L425 WeakPolarHBondContact CH2-O 3.03Å; W257-L425 HydrophobicContact CZ3-CB 3.9Å; I308-L425 HydrophobicContact CD1-CD1 3.42Å; I308-L425 VanDerWaalsContact CD1-CD1 3.42Å; I308-L425 HydrophobicContact CG1-CD1 3.92Å; I308-L425 HydrophobicContact CG2-CD1 3.98Å; V326-L425 HydrophobicContact CG1-CB 4.19Å; V326-L425 WeakPolarHBondContact CG1-O 3.23Å; V354-L425 HydrophobicContact CG2-CD1 4.33Å; V354-L425 HydrophobicContact CG2-CD2 4.23Å; V363-L425 HydrophobicContact CG1-CD2 4.34Å; C364-L425 WeakPolarHBondContact O-CA 3.24Å; V365-L425 HydrophobicContact CB-CD2 3.68Å; V365-L425 HydrophobicContact CG2-CD2 3.59Å; H423-L425 PolarHBondContact O-N 3Å
426Q87.9Confident82.8Confident93 Ų9359.4 Ų59.444%0.43531%0.311SS..EExtended strand (participates in β ladder)trans-136.2156.3178.2-66.1179-26.700109.3V363 C364V363-Q426 CarbonylContact C-O 3.53Å; V363-Q426 WeakPolarHBondContact CA-O 3.43Å; C364-Q426 HydrophobicContact CB-CB 4.24Å; C364-Q426 PolarHBondContact N-O 3.13Å; C364-Q426 PolarHBondContact O-N 3.11Å
427V87Confident81Confident20 Ų2064.5 Ų64.512%0.12134%0.336CS..EExtended strand (participates in β ladder)trans-125.7117179-177.10000108.8W257 V259 V261 V306 V361 H362 V363W257-V427 HydrophobicContact CE3-CG2 4.38Å; W257-V427 HydrophobicContact CH2-CG2 4.01Å; W257-V427 HydrophobicContact CZ3-CG2 3.75Å; V259-V427 HydrophobicContact CB-CG2 4.38Å; V259-V427 HydrophobicContact CG1-CB 4.18Å; V259-V427 HydrophobicContact CG1-CG2 4.35Å; V259-V427 HydrophobicContact CG2-CG2 3.93Å; V261-V427 HydrophobicContact CG2-CG1 4.13Å; V306-V427 HydrophobicContact CG2-CG2 3.9Å; V361-V427 HydrophobicContact CB-CG1 3.89Å; V361-V427 HydrophobicContact CG1-CG1 4.35Å; V361-V427 HydrophobicContact CG2-CG1 4.09Å; H362-V427 WeakPolarHBondContact O-CA 3.46Å; V363-V427 HydrophobicContact CG2-CG2 4.36Å
428D85.7Confident79Confident63 Ų6369.3 Ų69.334%0.33736%0.359SS..EExtended strand (participates in β ladder)trans-105.4126.7178.7-65.5-24.5000109.7V361 H362 C364V361-D428 WeakPolarHBondContact CA-O 3.43Å; H362-D428 PolarHBondContact N-O 3.09Å; H362-D428 PolarHBondContact O-N 2.93Å; C364-D428 PolarHBondContact SG-OD2 2.84Å
429P84.4Confident76.8Confident32 Ų3274 Ų7421%0.20839%0.389CS..EExtended strand (participates in β ladder)trans-72.9147172.325.3-28.6000112.7V261 V263 F431 P432V261-P429 HydrophobicContact CG1-CB 3.44Å; V261-P429 VanDerWaalsContact CG1-CB 3.44Å; V261-P429 HydrophobicContact CG1-CG 3.41Å; V261-P429 VanDerWaalsContact CG1-CG 3.41Å; V263-P429 HydrophobicContact CG1-CB 3.55Å; V263-P429 HydrophobicContact CG1-CG 4.35Å; P429-F431 VanDerWaalsContact C-N 3.26Å; P429-F431 PolarHBondContact O-N 2.63Å; P429-P432 HydrophobicContact CG-CB 4.38Å
430D81.9Confident74.3Confident59 Ų5979.3 Ų79.332%0.31642%0.415SS..SBendtrans-70.8-26171.4-64.9-12.8000112.3P360 H362 P432P360-D430 VanDerWaalsContact C-CG 3.45Å; P360-D430 VanDerWaalsContact CA-OD2 3.26Å; P360-D430 WeakPolarHBondContact CA-OD2 3.48Å; P360-D430 HydrophobicContact CB-CB 4.22Å; P360-D430 WeakPolarHBondContact CB-OD2 3.03Å; P360-D430 WeakPolarHBondContact O-CB 3.37Å; P360-D430 VanDerWaalsContact O-CG 3.29Å; P360-D430 PolarHBondContact O-N 3.05Å; P360-D430 VanDerWaalsContact O-N 3.12Å; H362-D430 IonicContact CD2-OD1 4Å; H362-D430 PolarHBondContact CD2-OD1 3.29Å; H362-D430 IonicContact CG-OD1 2.75Å; H362-D430 IonicContact NE2-OD1 2.68Å; H362-D430 PolarHBondContact NE2-OD1 3.48Å; D430-P432 VanDerWaalsContact C-CD 3.44Å; D430-P432 WeakPolarHBondContact O-CD 3.11Å
431F81.2Confident71.8Confident50 Ų5084.9 Ų84.922%0.21945%0.454CS..SBendtrans-122.566.4-176.2-47.2-58.8000110.9V263 D264 K267 W271 P360 P429V263-F431 CarbonylContact C-O 2.92Å; V263-F431 VanDerWaalsContact CA-O 3.23Å; V263-F431 WeakPolarHBondContact CA-O 3.49Å; V263-F431 WeakPolarHBondContact CB-O 3.45Å; D264-F431 HydrophobicContact CB-CB 4.37Å; D264-F431 PolarHBondContact N-O 2.92Å; K267-F431 HydrophobicContact CB-CB 4.13Å; K267-F431 HydrophobicContact CB-CD1 4.11Å; K267-F431 HydrophobicContact CB-CD2 4.19Å; K267-F431 HydrophobicContact CB-CG 3.87Å; K267-F431 HydrophobicContact CD-CB 4.31Å; K267-F431 HydrophobicContact CD-CD1 3.94Å; K267-F431 HydrophobicContact CD-CG 4.3Å; W271-F431 HydrophobicContact CB-CE2 4Å; W271-F431 HydrophobicContact CB-CZ 4.48Å; W271-F431 HydrophobicContact CG-CE2 4.26Å; P360-F431 HydrophobicContact CB-CD2 4.37Å; P360-F431 HydrophobicContact CB-CE2 3.76Å; P360-F431 HydrophobicContact CG-CD2 4.27Å; P360-F431 HydrophobicContact CG-CE2 3.93Å; P429-F431 VanDerWaalsContact C-N 3.26Å; P429-F431 PolarHBondContact O-N 2.63Å
432P81.3Confident69.3Low77 Ų7791.7 Ų91.750%0.551%0.508SS..  trans-58.8152175.127.7-34.5000110.3P429 D430P429-P432 HydrophobicContact CG-CB 4.38Å; D430-P432 VanDerWaalsContact C-CD 3.44Å; D430-P432 WeakPolarHBondContact O-CD 3.11Å
433P76.4Confident68.2Low45 Ų4591.4 Ų91.429%0.29251%0.512SS..  trans-57.9142.8176.926.1-35.2000110.2S262 D299 S435S262-P433 WeakPolarHBondContact O-CD 3.49Å; D299-P433 VanDerWaalsContact OD1-CB 3.23Å; D299-P433 WeakPolarHBondContact OD1-CB 3.31Å; P433-S435 PolarHBondContact O-N 3.38Å; P433-S435 VanDerWaalsContact O-N 3.11Å
434Q71Confident67.2Low145 Ų14591.3 Ų91.368%0.67852%0.516SS*.  trans-64.6114.8174.3-65.1-179.512.100108.4K436Q434-K436 PolarHBondContact O-N 3.19Å
435S63.7Low66.1Low106 Ų10695.3 Ų95.374%0.74154%0.539SS*.  trans-56.6132.4173.350.60000109.4P433 D437P433-S435 PolarHBondContact O-N 3.38Å; P433-S435 VanDerWaalsContact O-N 3.11Å; S435-D437 PolarHBondContact O-N 3.33Å
436K49.6Very low64.7Low137 Ų137100.6 Ų100.660%0.59657%0.569SS**SBendtrans-71.5-3179.7-90.7-169.2169.9-167.90115.1W298 Q434 E438W298-K436 VanDerWaalsContact CE2-CE 3.48Å; W298-K436 HydrophobicContact CZ2-CD 4.48Å; Q434-K436 PolarHBondContact O-N 3.19Å; K436-E438 PolarHBondContact O-N 2.86Å
437D47.7Very low63.3Low144 Ų144101.1 Ų101.177%0.7758%0.578SS**THydrogen-bonded Turntrans-101.566-165.4-66.3-32000113.3S435S435-D437 PolarHBondContact O-N 3.33Å
438E46.1Very low61.7Low171 Ų171106.5 Ų106.580%0.79961%0.608SS**THydrogen-bonded Turntrans-148.425.2148-70.7-158.416500112.4K436 M440K436-E438 PolarHBondContact O-N 2.86Å; E438-M440 PolarHBondContact O-N 3.42Å
439S43Very low60Low112 Ų112109.6 Ų109.678%0.78363%0.627SS**SBendtrans-72.883.7154.966.50000107.4S441S439-S441 PolarHBondContact O-N 2.83Å
440M37.4Very low58.1Low148 Ų148115.5 Ų115.573%0.72966%0.66SS**  trans-34.3128.6176.7-71.5-162.4159.900112.5E438 S442E438-M440 PolarHBondContact O-N 3.42Å; M440-S442 PolarHBondContact O-N 3.4Å; M440-S442 PolarHBondContact O-OG 2.98Å
441S38.1Very low56.1Low119 Ų119120.3 Ų120.383%0.83269%0.688SS**  trans-20.5103.9131.453.70000111S439S439-S441 PolarHBondContact O-N 2.83Å
442S38.2Very low53.8Low189 Ų189126.6 Ų126.6100%1.32273%0.731SS**  trans-103.10160.830000108.6M440M440-S442 PolarHBondContact O-N 3.4Å; M440-S442 PolarHBondContact O-OG 2.98Å

Retrieved 442 of 442 residues in 831.7 ms (Link to these results)

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