A0A087X6W4_POEFO Loading...

Galactosylgalactosylxylosylprotein 3-beta-glucuronosyltransferase

AlphaFold DB , UniProt , Accession A0A087X6W4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 337 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
1M40Very low59.6Low245 Ų245154.5 Ų154.5100%1.20779%0.786SS**  0108.10-78.8178.2-178.300108.5A3M1-A3 PolarHBondContact O-N 2.71Å
2A45.7Very low61.2Low105 Ų105147.3 Ų147.387%0.86876%0.756SS**  trans-73.9110.7178.200000109.6R4A2-R4 PolarHBondContact O-N 3.32Å
3A46Very low62.8Low100 Ų100147.9 Ų147.983%0.82675%0.75SS**  trans-69.396.6175.800000109.2M1 M5M1-A3 PolarHBondContact O-N 2.71Å; A3-M5 PolarHBondContact O-N 2.85Å
4R50.4Low64.2Low229 Ų229143.9 Ų143.986%0.86474%0.736SS**  trans-69.793.1-178.4-149.5175.5-170.6178.12.4108.7A2 K6A2-R4 PolarHBondContact O-N 3.32Å; R4-K6 PolarHBondContact O-N 3.19Å
5M55.7Low65.6Low164 Ų164142.3 Ų142.381%0.80873%0.729SS**  trans-59.2102.1170.9-94.7177.575.500108.9A3 L7A3-M5 PolarHBondContact O-N 2.85Å; M5-L7 VanDerWaalsContact C-N 3.34Å; M5-L7 HydrophobicContact CE-CD1 4.02Å; M5-L7 PolarHBondContact O-N 2.88Å
6K62.4Low66.9Low191 Ų191144.4 Ų144.483%0.8373%0.727SS**  trans-75.389169.8-76.3-179.1178178.90108R4 K8R4-K6 PolarHBondContact O-N 3.19Å; K6-K8 PolarHBondContact O-N 3.5Å; K6-K8 VanDerWaalsContact O-N 3.13Å
7L60.4Low68.2Low106 Ų106143.2 Ų143.256%0.55572%0.716SS**  trans-61.4115.2166.6-107.582.9000108M5 L9 V12M5-L7 VanDerWaalsContact C-N 3.34Å; M5-L7 HydrophobicContact CE-CD1 4.02Å; M5-L7 PolarHBondContact O-N 2.88Å; L7-L9 PolarHBondContact O-N 3.22Å; L7-V12 HydrophobicContact CB-CG2 4.17Å; L7-V12 HydrophobicContact CD2-CG2 3.72Å
8K74.4Confident69.3Low163 Ų163141.5 Ų141.571%0.70971%0.707SS**  trans-64.7134.4174.2-71.2-179.5178.3176.70107.7K6 K10 T11 V12K6-K8 PolarHBondContact O-N 3.5Å; K6-K8 VanDerWaalsContact O-N 3.13Å; K8-K10 PolarHBondContact O-N 3.24Å; K8-T11 WeakPolarHBondContact O-CA 3.36Å; K8-T11 VanDerWaalsContact O-CB 3.25Å; K8-T11 WeakPolarHBondContact O-CB 3.01Å; K8-T11 PolarHBondContact O-N 2.94Å; K8-T11 PolarHBondContact O-OG1 2.61Å; K8-V12 PolarHBondContact O-N 3.26Å
9L71.8Confident70.5Confident145 Ų145139.2 Ų139.276%0.75970%0.701SS**Hα-helixtrans-52-34.1-177.8-168.568.1000112.8L7 T11 V12 F13L7-L9 PolarHBondContact O-N 3.22Å; L9-T11 VanDerWaalsContact C-N 3.32Å; L9-T11 PolarHBondContact O-N 3.26Å; L9-V12 PolarHBondContact O-N 3.35Å; L9-F13 PolarHBondContact O-N 3.29Å
10K72.1Confident71.4Confident177 Ų177135.2 Ų135.277%0.7769%0.686SS**Hα-helixtrans-58.8-39.7173-66.9-171.9177.1-173.60112.8K8 F13 V14K8-K10 PolarHBondContact O-N 3.24Å; K10-F13 PolarHBondContact O-N 3.42Å; K10-V14 VanDerWaalsContact O-CG2 3.24Å; K10-V14 WeakPolarHBondContact O-CG2 3.44Å; K10-V14 PolarHBondContact O-N 3.44Å
11T76.1Confident72.3Confident74 Ų74132.1 Ų132.145%0.45467%0.671SS.*Hα-helixtrans-67.3-39.8178.2-45.80000111.2K8 L9 L15K8-T11 WeakPolarHBondContact O-CA 3.36Å; K8-T11 VanDerWaalsContact O-CB 3.25Å; K8-T11 WeakPolarHBondContact O-CB 3.01Å; K8-T11 PolarHBondContact O-N 2.94Å; K8-T11 PolarHBondContact O-OG1 2.61Å; L9-T11 VanDerWaalsContact C-N 3.32Å; L9-T11 PolarHBondContact O-N 3.26Å; T11-L15 WeakPolarHBondContact O-CB 3.31Å; T11-L15 PolarHBondContact O-N 3.34Å
12V79.5Confident74.6Confident69 Ų69127.4 Ų127.442%0.41865%0.648SS.*Hα-helixtrans-64.2-43.3174.7-179.60000110.6L7 K8 L9 L15 Y16L7-V12 HydrophobicContact CB-CG2 4.17Å; L7-V12 HydrophobicContact CD2-CG2 3.72Å; K8-V12 PolarHBondContact O-N 3.26Å; L9-V12 PolarHBondContact O-N 3.35Å; V12-L15 PolarHBondContact O-N 2.88Å; V12-Y16 WeakPolarHBondContact O-CB 3.38Å; V12-Y16 PolarHBondContact O-N 3.09Å
13F81.3Confident76.7Confident155 Ų155124.4 Ų124.468%0.6863%0.627SS**Hα-helixtrans-65-42.3179.9-149-87.2000112.2L9 K10 Y16 F17L9-F13 PolarHBondContact O-N 3.29Å; K10-F13 PolarHBondContact O-N 3.42Å; F13-Y16 PolarHBondContact O-N 3.37Å; F13-F17 VanDerWaalsContact O-CB 3.31Å; F13-F17 WeakPolarHBondContact O-CB 3.39Å; F13-F17 PolarHBondContact O-N 2.89Å
14V82.9Confident78.6Confident92 Ų92124.3 Ų124.356%0.55861%0.612SS**Hα-helixtrans-63.6-43.1174.9170.90000110.7K10 Y16 F17 M18K10-V14 VanDerWaalsContact O-CG2 3.24Å; K10-V14 WeakPolarHBondContact O-CG2 3.44Å; K10-V14 PolarHBondContact O-N 3.44Å; V14-Y16 PolarHBondContact O-N 3.06Å; V14-F17 PolarHBondContact O-N 3.39Å; V14-M18 HydrophobicContact CG1-CG 4.34Å; V14-M18 WeakPolarHBondContact O-CB 3.33Å; V14-M18 WeakPolarHBondContact O-CG 3.38Å; V14-M18 PolarHBondContact O-N 2.74Å
15L85Confident80.2Confident120 Ų120117.4 Ų117.463%0.62859%0.591SS**Hα-helixtrans-62.4-45177.9-146.399.4000111.2T11 V12 F17 M18 V19T11-L15 WeakPolarHBondContact O-CB 3.31Å; T11-L15 PolarHBondContact O-N 3.34Å; V12-L15 PolarHBondContact O-N 2.88Å; L15-F17 PolarHBondContact O-N 3.5Å; L15-M18 PolarHBondContact O-N 2.83Å; L15-V19 VanDerWaalsContact O-CG2 3.32Å; L15-V19 WeakPolarHBondContact O-CG2 3.46Å; L15-V19 PolarHBondContact O-N 3.48Å
16Y87.4Confident81.5Confident176 Ų176116.9 Ų116.969%0.6958%0.581SS**Hα-helixtrans-65.1-39.6179-160.6-87.2000112.2V12 F13 V14 S20V12-Y16 WeakPolarHBondContact O-CB 3.38Å; V12-Y16 PolarHBondContact O-N 3.09Å; F13-Y16 PolarHBondContact O-N 3.37Å; V14-Y16 PolarHBondContact O-N 3.06Å; Y16-S20 VanDerWaalsContact O-CB 3.29Å; Y16-S20 WeakPolarHBondContact O-CB 3.42Å; Y16-S20 PolarHBondContact O-N 3.2Å; Y16-S20 PolarHBondContact O-OG 3.41Å
17F87.9Confident82.3Confident124 Ų124109.9 Ų109.954%0.54456%0.56SS.*Hα-helixtrans-62.9-45.7174.4-176.1-96.7000111.4F13 V14 L15 S20 L21F13-F17 VanDerWaalsContact O-CB 3.31Å; F13-F17 WeakPolarHBondContact O-CB 3.39Å; F13-F17 PolarHBondContact O-N 2.89Å; V14-F17 PolarHBondContact O-N 3.39Å; L15-F17 PolarHBondContact O-N 3.5Å; F17-S20 PolarHBondContact O-N 3.05Å; F17-L21 HydrophobicContact CE1-CD2 4.27Å; F17-L21 VanDerWaalsContact O-CB 3.24Å; F17-L21 WeakPolarHBondContact O-CB 3.48Å; F17-L21 PolarHBondContact O-N 3.39Å
18M88.9Confident83.2Confident112 Ų112109.8 Ų109.855%0.55256%0.559SS**Hα-helixtrans-65.1-40.7179.3-68.6-66.6-86.900112.2V14 L15 L21 M22V14-M18 HydrophobicContact CG1-CG 4.34Å; V14-M18 WeakPolarHBondContact O-CB 3.33Å; V14-M18 WeakPolarHBondContact O-CG 3.38Å; V14-M18 PolarHBondContact O-N 2.74Å; L15-M18 PolarHBondContact O-N 2.83Å; M18-L21 PolarHBondContact O-N 3.16Å; M18-M22 PolarHBondContact O-N 3.36Å
19V91Very high83.1Confident98 Ų98108.7 Ų108.759%0.59456%0.558SS**Hα-helixtrans-67-42.2175.9173.40000111.1L15 L21 M22 G23L15-V19 VanDerWaalsContact O-CG2 3.32Å; L15-V19 WeakPolarHBondContact O-CG2 3.46Å; L15-V19 PolarHBondContact O-N 3.48Å; V19-L21 VanDerWaalsContact C-N 3.34Å; V19-M22 PolarHBondContact O-N 3.25Å; V19-G23 PolarHBondContact O-N 2.83Å
20S88Confident83Confident59 Ų59106.1 Ų106.141%0.41354%0.542SS..Hα-helixtrans-65.9-37.8176.6-60.80000111.9Y16 F17 G23 L24Y16-S20 VanDerWaalsContact O-CB 3.29Å; Y16-S20 WeakPolarHBondContact O-CB 3.42Å; Y16-S20 PolarHBondContact O-N 3.2Å; Y16-S20 PolarHBondContact O-OG 3.41Å; F17-S20 PolarHBondContact O-N 3.05Å; S20-G23 PolarHBondContact O-N 3.21Å; S20-L24 WeakPolarHBondContact O-CB 3.31Å; S20-L24 PolarHBondContact O-N 3.34Å
21L90.8Very high82.6Confident70 Ų70104.7 Ų104.737%0.36654%0.542SS..Hα-helixtrans-67.9-43.3176.7-174.267.3000111.4F17 M18 V19 G23 L24 I25F17-L21 HydrophobicContact CE1-CD2 4.27Å; F17-L21 VanDerWaalsContact O-CB 3.24Å; F17-L21 WeakPolarHBondContact O-CB 3.48Å; F17-L21 PolarHBondContact O-N 3.39Å; M18-L21 PolarHBondContact O-N 3.16Å; V19-L21 VanDerWaalsContact C-N 3.34Å; L21-G23 VanDerWaalsContact C-N 3.32Å; L21-G23 PolarHBondContact O-N 3.03Å; L21-L24 PolarHBondContact O-N 3.24Å; L21-I25 HydrophobicContact CD1-CD1 4.48Å; L21-I25 HydrophobicContact CG-CD1 4.06Å; L21-I25 WeakPolarHBondContact O-CB 3.41Å; L21-I25 VanDerWaalsContact O-CG1 3.25Å; L21-I25 WeakPolarHBondContact O-CG1 3.33Å; L21-I25 PolarHBondContact O-N 2.77Å
22M89.6Confident81.8Confident147 Ų147103.7 Ų103.772%0.72455%0.546SS*.Hα-helixtrans-62.6-40.3172.3-80-15884.400111.8M18 V19 I25 Y26M18-M22 PolarHBondContact O-N 3.36Å; V19-M22 PolarHBondContact O-N 3.25Å; M22-I25 PolarHBondContact O-N 3.19Å; M22-Y26 WeakPolarHBondContact O-CB 3.28Å; M22-Y26 PolarHBondContact O-N 3.08Å
23G88.7Confident80.5Confident41 Ų41107.4 Ų107.442%0.42356%0.559SS.*Hα-helixtrans-62-41.8174.900000112.7V19 S20 L21 Y26 A27V19-G23 PolarHBondContact O-N 2.83Å; S20-G23 PolarHBondContact O-N 3.21Å; L21-G23 VanDerWaalsContact C-N 3.32Å; L21-G23 PolarHBondContact O-N 3.03Å; G23-Y26 PolarHBondContact O-N 3.4Å; G23-A27 WeakPolarHBondContact O-CB 3.37Å; G23-A27 PolarHBondContact O-N 2.93Å
24L86.3Confident79.1Confident98 Ų98108.5 Ų108.551%0.51357%0.566SS.*Hα-helixtrans-65.5-44.7175.7-176.267.9000111.6S20 L21 Y26 A27 L28S20-L24 WeakPolarHBondContact O-CB 3.31Å; S20-L24 PolarHBondContact O-N 3.34Å; L21-L24 PolarHBondContact O-N 3.24Å; L24-Y26 VanDerWaalsContact C-N 3.33Å; L24-Y26 PolarHBondContact O-N 2.91Å; L24-A27 PolarHBondContact O-N 3.01Å; L24-L28 HydrophobicContact CD1-CD1 4.5Å; L24-L28 HydrophobicContact CG-CD1 4.06Å; L24-L28 WeakPolarHBondContact O-CB 3.41Å; L24-L28 VanDerWaalsContact O-CG 3.26Å; L24-L28 WeakPolarHBondContact O-CG 3.47Å; L24-L28 PolarHBondContact O-N 3.11Å
25I83.9Confident77.8Confident84 Ų84109.4 Ų109.443%0.43158%0.576SS.*Hα-helixtrans-62.8-41.4176.9-68.8167.1000110.5L21 M22 L28 M29L21-I25 HydrophobicContact CD1-CD1 4.48Å; L21-I25 HydrophobicContact CG-CD1 4.06Å; L21-I25 WeakPolarHBondContact O-CB 3.41Å; L21-I25 VanDerWaalsContact O-CG1 3.25Å; L21-I25 WeakPolarHBondContact O-CG1 3.33Å; L21-I25 PolarHBondContact O-N 2.77Å; M22-I25 PolarHBondContact O-N 3.19Å; I25-L28 PolarHBondContact O-N 3.48Å; I25-M29 WeakPolarHBondContact O-CB 3.45Å; I25-M29 WeakPolarHBondContact O-CG 3.28Å; I25-M29 PolarHBondContact O-N 2.84Å
26Y83.6Confident76.3Confident153 Ų153110.4 Ų110.460%0.658%0.581SS**Hα-helixtrans-63.4-44.5175.7-176.8-96.6000111.8M22 G23 L24 L28 M29 Q30M22-Y26 WeakPolarHBondContact O-CB 3.28Å; M22-Y26 PolarHBondContact O-N 3.08Å; G23-Y26 PolarHBondContact O-N 3.4Å; L24-Y26 VanDerWaalsContact C-N 3.33Å; L24-Y26 PolarHBondContact O-N 2.91Å; Y26-L28 PolarHBondContact O-N 2.88Å; Y26-M29 PolarHBondContact O-N 2.89Å; Y26-Q30 HydrophobicContact CD1-CG 4.32Å; Y26-Q30 HydrophobicContact CE1-CG 3.97Å; Y26-Q30 WeakPolarHBondContact O-CG 3.44Å; Y26-Q30 PolarHBondContact O-N 2.95Å; Y26-Q30 PolarHBondContact OH-NE2 3.32Å
27A79.6Confident74.7Confident45 Ų45105.8 Ų105.837%0.37257%0.574SS.*Hα-helixtrans-63-40.5175.700000112.2G23 L24 Q30 L31G23-A27 WeakPolarHBondContact O-CB 3.37Å; G23-A27 PolarHBondContact O-N 2.93Å; L24-A27 PolarHBondContact O-N 3.01Å; A27-Q30 PolarHBondContact O-N 3.03Å; A27-L31 PolarHBondContact O-N 2.97Å
28L78.8Confident73.2Confident104 Ų104102.2 Ų102.255%0.54557%0.568SS.*Hα-helixtrans-67-36175.7-72.8172.4000112.5L24 I25 Y26 Q30 L31L24-L28 HydrophobicContact CD1-CD1 4.5Å; L24-L28 HydrophobicContact CG-CD1 4.06Å; L24-L28 WeakPolarHBondContact O-CB 3.41Å; L24-L28 VanDerWaalsContact O-CG 3.26Å; L24-L28 WeakPolarHBondContact O-CG 3.47Å; L24-L28 PolarHBondContact O-N 3.11Å; I25-L28 PolarHBondContact O-N 3.48Å; Y26-L28 PolarHBondContact O-N 2.88Å; L28-Q30 VanDerWaalsContact C-N 3.33Å; L28-L31 HydrophobicContact CD2-CD1 4.41Å; L28-L31 PolarHBondContact O-N 3.5Å
29M72.3Confident71.5Confident140 Ų140105 Ų10569%0.6958%0.579SS**Hα-helixtrans-66-34.9172.2-81.4-174.9156.700112.3I25 Y26 G32I25-M29 WeakPolarHBondContact O-CB 3.45Å; I25-M29 WeakPolarHBondContact O-CG 3.28Å; I25-M29 PolarHBondContact O-N 2.84Å; Y26-M29 PolarHBondContact O-N 2.89Å; M29-G32 PolarHBondContact O-N 3.01Å
30Q68.8Low69.8Low91 Ų91107.6 Ų107.643%0.42558%0.584SS.*Hα-helixtrans-74.7-30.3176.4-69.4-70.1-16.600112.9Y26 A27 L28 G32 Q33Y26-Q30 HydrophobicContact CD1-CG 4.32Å; Y26-Q30 HydrophobicContact CE1-CG 3.97Å; Y26-Q30 WeakPolarHBondContact O-CG 3.44Å; Y26-Q30 PolarHBondContact O-N 2.95Å; Y26-Q30 PolarHBondContact OH-NE2 3.32Å; A27-Q30 PolarHBondContact O-N 3.03Å; L28-Q30 VanDerWaalsContact C-N 3.33Å; Q30-G32 PolarHBondContact O-N 2.81Å; Q30-Q33 PolarHBondContact O-N 3.43Å
31L63.8Low68.2Low146 Ų146108.5 Ų108.576%0.76459%0.585SS**THydrogen-bonded Turntrans-66.9-14.9171.9-87.7149.6000113.4A27 L28A27-L31 PolarHBondContact O-N 2.97Å; L28-L31 HydrophobicContact CD2-CD1 4.41Å; L28-L31 PolarHBondContact O-N 3.5Å
32G59.1Low66.6Low53 Ų53109.3 Ų109.355%0.54659%0.589SS.*THydrogen-bonded Turntrans-1031.8-179.600000115.6M29 Q30 H34M29-G32 PolarHBondContact O-N 3.01Å; Q30-G32 PolarHBondContact O-N 2.81Å; G32-H34 VanDerWaalsContact C-N 3.29Å; G32-H34 PolarHBondContact O-N 2.88Å
33Q53.1Low65.3Low147 Ų147106.2 Ų106.269%0.68758%0.58SS**  trans-75.588.6168.1-76.2-162.7-48.100109Q30 C35Q30-Q33 PolarHBondContact O-N 3.43Å; Q33-C35 PolarHBondContact O-N 3.33Å
34H50.5Low64.2Low178 Ų178110.4 Ų110.482%0.82459%0.586SS**  trans-50.8122.4161-88.6-85.2000108.5G32 D36G32-H34 VanDerWaalsContact C-N 3.29Å; G32-H34 PolarHBondContact O-N 2.88Å; H34-D36 PolarHBondContact O-N 2.91Å; H34-D36 VanDerWaalsContact O-N 3.1Å
35C56.2Low63.2Low112 Ų112110.3 Ų110.376%0.75759%0.586SS**  trans-57.3115.7156.7-72.10000106.4Q33 C37Q33-C35 PolarHBondContact O-N 3.33Å; C35-C37 PolarHBondContact O-N 2.72Å
36D54.5Low62.7Low140 Ų140113.8 Ų113.875%0.74959%0.594SS**  trans-72.383.9176.1-165.20.6000108.4H34 A38H34-D36 PolarHBondContact O-N 2.91Å; H34-D36 VanDerWaalsContact O-N 3.1Å; D36-A38 PolarHBondContact O-N 3.42Å; D36-A38 WeakPolarHBondContact OD1-CB 3.21Å; D36-A38 PolarHBondContact OD1-N 3.21Å
37C54.1Low62.7Low79 Ų79108.7 Ų108.753%0.53458%0.583SS.*THydrogen-bonded Turntrans-75.55.1175.8-63.50000112.3C35 E39 H40C35-C37 PolarHBondContact O-N 2.72Å; C37-E39 PolarHBondContact O-N 3.01Å; C37-E39 VanDerWaalsContact O-N 3.12Å; C37-H40 PolarHBondContact O-N 3.35Å
38A56.3Low62.8Low50 Ų50110.6 Ų110.641%0.41359%0.587SS.*Hα-helixtrans-57.9-27.6-177.200000113.2D36 H40 L42D36-A38 PolarHBondContact O-N 3.42Å; D36-A38 WeakPolarHBondContact OD1-CB 3.21Å; D36-A38 PolarHBondContact OD1-N 3.21Å; A38-H40 VanDerWaalsContact C-N 3.31Å; A38-H40 PolarHBondContact O-N 3.06Å; A38-L42 VanDerWaalsContact O-CD1 3.27Å; A38-L42 WeakPolarHBondContact O-CD1 3.31Å; A38-L42 VanDerWaalsContact O-CG 3.23Å; A38-L42 WeakPolarHBondContact O-CG 3.37Å; A38-L42 PolarHBondContact O-N 3.13Å
39E53.4Low62.8Low170 Ų170108.8 Ų108.879%0.79458%0.583SS**Hα-helixtrans-68.8-24.1175.5-84.4-167.7150.900114.1C37C37-E39 PolarHBondContact O-N 3.01Å; C37-E39 VanDerWaalsContact O-N 3.12Å
40H55Low63.5Low152 Ų152110.2 Ų110.270%0.70458%0.58SS**Hα-helixtrans-91.5-22.3-177.5-111.949.8000114.5C37 A38 P43C37-H40 PolarHBondContact O-N 3.35Å; A38-H40 VanDerWaalsContact C-N 3.31Å; A38-H40 PolarHBondContact O-N 3.06Å; H40-P43 WeakPolarHBondContact O-CD 3.34Å
41D53.8Low64.4Low78 Ų78110.8 Ų110.842%0.41759%0.586SS.*Hα-helixtrans-95.9-21.8-178.8-70-34.7000113.4P43 K44 D45D41-P43 VanDerWaalsContact C-CD 3.43Å; D41-K44 PolarHBondContact O-N 3.11Å; D41-D45 PolarHBondContact O-N 2.95Å
42L57.8Low65.5Low88 Ų88109.5 Ų109.546%0.46158%0.576SS.*Hα-helixtrans-51.9-40.9173.6-83.4164.2000115A38 R46A38-L42 VanDerWaalsContact O-CD1 3.27Å; A38-L42 WeakPolarHBondContact O-CD1 3.31Å; A38-L42 VanDerWaalsContact O-CG 3.23Å; A38-L42 WeakPolarHBondContact O-CG 3.37Å; A38-L42 PolarHBondContact O-N 3.13Å; L42-R46 WeakPolarHBondContact O-CB 3.41Å; L42-R46 VanDerWaalsContact O-CG 3.24Å; L42-R46 WeakPolarHBondContact O-CG 3.29Å; L42-R46 PolarHBondContact O-N 2.8Å
43P61Low67Low81 Ų81113.8 Ų113.853%0.52658%0.581SS.*Hα-helixtrans-69.4-35.8177.3-16.830.5000112.7H40 D41 A47H40-P43 WeakPolarHBondContact O-CD 3.34Å; D41-P43 VanDerWaalsContact C-CD 3.43Å; P43-A47 WeakPolarHBondContact O-CB 3.34Å; P43-A47 PolarHBondContact O-N 3.33Å
44K65.4Low68.9Low129 Ų129112.5 Ų112.556%0.56158%0.575SS**Hα-helixtrans-73.9-42.2-179-68.7179.2-176.3167.70111.1D41 R46 A47 I48D41-K44 PolarHBondContact O-N 3.11Å; K44-R46 VanDerWaalsContact C-N 3.31Å; K44-R46 PolarHBondContact O-N 2.66Å; K44-A47 WeakPolarHBondContact O-CB 3.41Å; K44-A47 PolarHBondContact O-N 3.07Å; K44-A47 VanDerWaalsContact O-N 3.1Å; K44-I48 VanDerWaalsContact O-CG1 3.28Å; K44-I48 WeakPolarHBondContact O-CG1 3.39Å; K44-I48 PolarHBondContact O-N 3.04Å
45D67.1Low70.9Confident96 Ų96109 Ų10951%0.51356%0.562SS.*Hα-helixtrans-66-35.5177.3-71.3-20000112D41 S49D41-D45 PolarHBondContact O-N 2.95Å; D45-S49 WeakPolarHBondContact O-CB 3.05Å; D45-S49 PolarHBondContact O-N 3.43Å; D45-S49 PolarHBondContact O-OG 3.47Å
46R73.1Confident72.2Confident158 Ų158112.3 Ų112.360%0.59656%0.56SS**Hα-helixtrans-66.2-39.6170.2-74.5178.9-166.5-178.16.2112.4L42 K44 R50L42-R46 WeakPolarHBondContact O-CB 3.41Å; L42-R46 VanDerWaalsContact O-CG 3.24Å; L42-R46 WeakPolarHBondContact O-CG 3.29Å; L42-R46 PolarHBondContact O-N 2.8Å; K44-R46 VanDerWaalsContact C-N 3.31Å; K44-R46 PolarHBondContact O-N 2.66Å; R46-R50 VanDerWaalsContact O-CG 3.3Å; R46-R50 WeakPolarHBondContact O-CG 3.47Å; R46-R50 PolarHBondContact O-N 3.06Å
47A82.1Confident74Confident45 Ų45114.6 Ų114.637%0.37256%0.558SS.*Hα-helixtrans-66.8-41.8176.700000111.7P43 K44 R50 L51P43-A47 WeakPolarHBondContact O-CB 3.34Å; P43-A47 PolarHBondContact O-N 3.33Å; K44-A47 WeakPolarHBondContact O-CB 3.41Å; K44-A47 PolarHBondContact O-N 3.07Å; K44-A47 VanDerWaalsContact O-N 3.1Å; A47-R50 PolarHBondContact O-N 3.23Å; A47-L51 WeakPolarHBondContact O-CB 3.21Å; A47-L51 WeakPolarHBondContact O-CG 3.44Å; A47-L51 PolarHBondContact O-N 2.86Å
48I83.1Confident75.7Confident86 Ų86115.1 Ų115.144%0.44156%0.555SS.*Hα-helixtrans-63-45.2176-68.4165.7000110.3K44 R50 L51 Q52K44-I48 VanDerWaalsContact O-CG1 3.28Å; K44-I48 WeakPolarHBondContact O-CG1 3.39Å; K44-I48 PolarHBondContact O-N 3.04Å; I48-R50 VanDerWaalsContact C-N 3.34Å; I48-R50 PolarHBondContact O-N 2.93Å; I48-L51 PolarHBondContact O-N 3.19Å; I48-Q52 HydrophobicContact CG2-CG 4.41Å; I48-Q52 WeakPolarHBondContact O-CB 3.42Å; I48-Q52 VanDerWaalsContact O-CG 3.3Å; I48-Q52 WeakPolarHBondContact O-CG 3.34Å; I48-Q52 PolarHBondContact O-N 3.4Å
49S79.5Confident77.2Confident66 Ų66118.6 Ų118.646%0.46256%0.563SS.*Hα-helixtrans-61.6-41.5177.7-59.50000112D45 Q52 E53D45-S49 WeakPolarHBondContact O-CB 3.05Å; D45-S49 PolarHBondContact O-N 3.43Å; D45-S49 PolarHBondContact O-OG 3.47Å; S49-Q52 PolarHBondContact O-N 2.98Å; S49-E53 WeakPolarHBondContact O-CB 3.31Å; S49-E53 PolarHBondContact O-N 3.43Å
50R86.1Confident78.7Confident170 Ų170112.2 Ų112.264%0.64254%0.543SS*.Hα-helixtrans-64.7-43.2175.1-74.6176.8-172.1176.32.1112.3R46 A47 I48 Q52 E53 E54R46-R50 VanDerWaalsContact O-CG 3.3Å; R46-R50 WeakPolarHBondContact O-CG 3.47Å; R46-R50 PolarHBondContact O-N 3.06Å; A47-R50 PolarHBondContact O-N 3.23Å; I48-R50 VanDerWaalsContact C-N 3.34Å; I48-R50 PolarHBondContact O-N 2.93Å; R50-Q52 VanDerWaalsContact C-N 3.33Å; R50-Q52 PolarHBondContact O-N 3.26Å; R50-E53 PolarHBondContact O-N 2.99Å; R50-E54 PolarHBondContact O-N 2.83Å
51L88.3Confident80.4Confident102 Ų102109.9 Ų109.953%0.53453%0.532SS..Hα-helixtrans-65.4-36.6176.9-75.6167.3000112A47 I48 E54 L55A47-L51 WeakPolarHBondContact O-CB 3.21Å; A47-L51 WeakPolarHBondContact O-CG 3.44Å; A47-L51 PolarHBondContact O-N 2.86Å; I48-L51 PolarHBondContact O-N 3.19Å; L51-E54 PolarHBondContact O-N 3.16Å; L51-L55 WeakPolarHBondContact O-CB 3.06Å; L51-L55 VanDerWaalsContact O-CG 3.32Å; L51-L55 WeakPolarHBondContact O-CG 3.27Å; L51-L55 PolarHBondContact O-N 3.02Å
52Q86.4Confident82Confident119 Ų119110.4 Ų110.456%0.55653%0.534SS*.Hα-helixtrans-65.3-41.4173.8-75.8174.2-31.800111.7I48 S49 R50 L55 Y56I48-Q52 HydrophobicContact CG2-CG 4.41Å; I48-Q52 WeakPolarHBondContact O-CB 3.42Å; I48-Q52 VanDerWaalsContact O-CG 3.3Å; I48-Q52 WeakPolarHBondContact O-CG 3.34Å; I48-Q52 PolarHBondContact O-N 3.4Å; S49-Q52 PolarHBondContact O-N 2.98Å; R50-Q52 VanDerWaalsContact C-N 3.33Å; R50-Q52 PolarHBondContact O-N 3.26Å; Q52-L55 PolarHBondContact O-N 2.87Å; Q52-Y56 WeakPolarHBondContact O-CB 3.27Å; Q52-Y56 PolarHBondContact O-N 3.43Å
53E89.4Confident83.2Confident143 Ų143115.5 Ų115.567%0.66855%0.547SS*.Hα-helixtrans-66.2-41.9176.3-164.8173.6-168.100111.6S49 R50 Y56 R57S49-E53 WeakPolarHBondContact O-CB 3.31Å; S49-E53 PolarHBondContact O-N 3.43Å; R50-E53 PolarHBondContact O-N 2.99Å; E53-Y56 PolarHBondContact O-N 3.45Å; E53-R57 WeakPolarHBondContact O-CB 3.43Å; E53-R57 PolarHBondContact O-N 3.43Å
54E93Very high84.2Confident120 Ų120118.3 Ų118.356%0.56155%0.553SS**Hα-helixtrans-63.6-41.9172.9-78.3-175.2170.600112.5R50 L51 Y56 R57 L58R50-E54 PolarHBondContact O-N 2.83Å; L51-E54 PolarHBondContact O-N 3.16Å; E54-Y56 PolarHBondContact O-N 3.41Å; E54-R57 PolarHBondContact O-N 3.15Å; E54-L58 WeakPolarHBondContact O-CB 3.49Å; E54-L58 WeakPolarHBondContact O-CG 3.43Å; E54-L58 PolarHBondContact O-N 2.95Å
55L92.7Very high85Confident104 Ų104117.5 Ų117.555%0.54555%0.554SS.*Hα-helixtrans-60.7-44.8174.9-84.2169.2000111.5L51 Q52 R57 L58 Q59L51-L55 WeakPolarHBondContact O-CB 3.06Å; L51-L55 VanDerWaalsContact O-CG 3.32Å; L51-L55 WeakPolarHBondContact O-CG 3.27Å; L51-L55 PolarHBondContact O-N 3.02Å; Q52-L55 PolarHBondContact O-N 2.87Å; L55-R57 VanDerWaalsContact C-N 3.3Å; L55-R57 PolarHBondContact O-N 3.08Å; L55-L58 PolarHBondContact O-N 3.29Å; L55-Q59 WeakPolarHBondContact O-CB 3.35Å; L55-Q59 VanDerWaalsContact O-CG 3.3Å; L55-Q59 WeakPolarHBondContact O-CG 3.44Å; L55-Q59 PolarHBondContact O-N 3.25Å
56Y84.9Confident85.6Confident183 Ų183118.4 Ų118.472%0.71856%0.556SS**Hα-helixtrans-63.7-39.3177.9-160.6-96.5000111.4Q52 E53 E54 G60Q52-Y56 WeakPolarHBondContact O-CB 3.27Å; Q52-Y56 PolarHBondContact O-N 3.43Å; E53-Y56 PolarHBondContact O-N 3.45Å; E54-Y56 PolarHBondContact O-N 3.41Å; Y56-G60 PolarHBondContact O-N 3.33Å
57R90.6Very high85.6Confident187 Ų187118.6 Ų118.671%0.70656%0.561SS**Hα-helixtrans-67.5-43.6177.1-163.1175.9-174.2-177.11.6112.3E53 E54 L55 G60 Q61E53-R57 WeakPolarHBondContact O-CB 3.43Å; E53-R57 PolarHBondContact O-N 3.43Å; E54-R57 PolarHBondContact O-N 3.15Å; L55-R57 VanDerWaalsContact C-N 3.3Å; L55-R57 PolarHBondContact O-N 3.08Å; R57-G60 PolarHBondContact O-N 3.29Å; R57-Q61 WeakPolarHBondContact O-CG 3.31Å; R57-Q61 PolarHBondContact O-N 2.96Å
58L90Very high85.1Confident91 Ų91120.3 Ų120.348%0.47658%0.575SS.*Hα-helixtrans-65-41.7175.7-80.7165.5000111.5E54 L55 G60 Q61 I62E54-L58 WeakPolarHBondContact O-CB 3.49Å; E54-L58 WeakPolarHBondContact O-CG 3.43Å; E54-L58 PolarHBondContact O-N 2.95Å; L55-L58 PolarHBondContact O-N 3.29Å; L58-G60 VanDerWaalsContact C-N 3.29Å; L58-G60 PolarHBondContact O-N 3.16Å; L58-Q61 PolarHBondContact O-N 3.1Å; L58-Q61 VanDerWaalsContact O-N 3.16Å; L58-I62 WeakPolarHBondContact O-CG1 3.3Å; L58-I62 PolarHBondContact O-N 2.69Å
59Q89.4Confident84.3Confident123 Ų123124.9 Ų124.958%0.57559%0.592SS**Hα-helixtrans-59.5-40.9172.7-77.5179.1-18.200111.6L55 I62 R63L55-Q59 WeakPolarHBondContact O-CB 3.35Å; L55-Q59 VanDerWaalsContact O-CG 3.3Å; L55-Q59 WeakPolarHBondContact O-CG 3.44Å; L55-Q59 PolarHBondContact O-N 3.25Å; Q59-I62 PolarHBondContact O-N 3.26Å; Q59-R63 WeakPolarHBondContact O-CB 3.26Å; Q59-R63 PolarHBondContact O-N 3.07Å
60G85.1Confident83Confident35 Ų35128.1 Ų128.136%0.36160%0.599SS.*Hα-helixtrans-61.6-42.1173.100000113.3Y56 R57 L58 R63 Q64Y56-G60 PolarHBondContact O-N 3.33Å; R57-G60 PolarHBondContact O-N 3.29Å; L58-G60 VanDerWaalsContact C-N 3.29Å; L58-G60 PolarHBondContact O-N 3.16Å; G60-R63 PolarHBondContact O-N 3.15Å; G60-Q64 VanDerWaalsContact O-CG 3.27Å; G60-Q64 WeakPolarHBondContact O-CG 3.44Å; G60-Q64 PolarHBondContact O-N 3.47Å
61Q89.7Confident81.2Confident103 Ų103125.4 Ų125.448%0.48160%0.604SS.*Hα-helixtrans-68.5-40.3176.6-73.6179.5-26.900112.7R57 L58 R63 Q64 L65R57-Q61 WeakPolarHBondContact O-CG 3.31Å; R57-Q61 PolarHBondContact O-N 2.96Å; L58-Q61 PolarHBondContact O-N 3.1Å; L58-Q61 VanDerWaalsContact O-N 3.16Å; Q61-R63 VanDerWaalsContact C-N 3.32Å; Q61-R63 PolarHBondContact O-N 3.46Å; Q61-Q64 WeakPolarHBondContact O-CB 3.5Å; Q61-Q64 PolarHBondContact O-N 3.2Å; Q61-L65 WeakPolarHBondContact O-CB 3.5Å; Q61-L65 VanDerWaalsContact O-CG 3.31Å; Q61-L65 WeakPolarHBondContact O-CG 3.08Å; Q61-L65 PolarHBondContact O-N 3.09Å
62I86.6Confident79.2Confident90 Ų90129.2 Ų129.246%0.46262%0.619SS.*Hα-helixtrans-60-45.7173.7-70.3167.6000109.5L58 Q59 Q64 L65 E66L58-I62 WeakPolarHBondContact O-CG1 3.3Å; L58-I62 PolarHBondContact O-N 2.69Å; Q59-I62 PolarHBondContact O-N 3.26Å; I62-Q64 VanDerWaalsContact C-N 3.3Å; I62-Q64 PolarHBondContact O-N 3.23Å; I62-L65 PolarHBondContact O-N 3.3Å; I62-E66 HydrophobicContact CG2-CG 4.24Å; I62-E66 WeakPolarHBondContact O-CB 3.37Å; I62-E66 VanDerWaalsContact O-CG 3.28Å; I62-E66 WeakPolarHBondContact O-CG 3.46Å; I62-E66 PolarHBondContact O-N 3.02Å
63R84.9Confident77.4Confident195 Ų195133 Ų13374%0.73663%0.634SS**Hα-helixtrans-61.4-37.4177.5-155.1178.1-155.3179.43.3112.6Q59 G60 Q61 K67Q59-R63 WeakPolarHBondContact O-CB 3.26Å; Q59-R63 PolarHBondContact O-N 3.07Å; G60-R63 PolarHBondContact O-N 3.15Å; Q61-R63 VanDerWaalsContact C-N 3.32Å; Q61-R63 PolarHBondContact O-N 3.46Å; R63-K67 WeakPolarHBondContact O-CB 3.4Å; R63-K67 PolarHBondContact O-N 2.74Å; R63-K67 VanDerWaalsContact O-N 3.08Å
64Q81.4Confident75Confident140 Ų140135.4 Ų135.465%0.65464%0.642SS**Hα-helixtrans-68.6-44.4174.5-74-88.4-7.300111.8G60 Q61 I62 K67 A68G60-Q64 VanDerWaalsContact O-CG 3.27Å; G60-Q64 WeakPolarHBondContact O-CG 3.44Å; G60-Q64 PolarHBondContact O-N 3.47Å; Q61-Q64 WeakPolarHBondContact O-CB 3.5Å; Q61-Q64 PolarHBondContact O-N 3.2Å; I62-Q64 VanDerWaalsContact C-N 3.3Å; I62-Q64 PolarHBondContact O-N 3.23Å; Q64-K67 WeakPolarHBondContact O-CB 3.47Å; Q64-K67 PolarHBondContact O-N 3.31Å; Q64-A68 WeakPolarHBondContact O-CB 3.42Å; Q64-A68 PolarHBondContact O-N 2.88Å
65L81.9Confident72.5Confident111 Ų111138 Ų13858%0.58165%0.654SS**Hα-helixtrans-67.4-36.3177.4-73168.7000112.1Q61 I62 K67 A68 K69Q61-L65 WeakPolarHBondContact O-CB 3.5Å; Q61-L65 VanDerWaalsContact O-CG 3.31Å; Q61-L65 WeakPolarHBondContact O-CG 3.08Å; Q61-L65 PolarHBondContact O-N 3.09Å; I62-L65 PolarHBondContact O-N 3.3Å; L65-K67 VanDerWaalsContact C-N 3.34Å; L65-A68 PolarHBondContact O-N 2.82Å; L65-K69 VanDerWaalsContact O-CB 3.31Å; L65-K69 WeakPolarHBondContact O-CB 3.31Å; L65-K69 WeakPolarHBondContact O-CG 3.28Å; L65-K69 PolarHBondContact O-N 3.08Å
66E79.7Confident70Confident116 Ų116138.1 Ų138.154%0.54266%0.661SS.*Hα-helixtrans-62.9-41.7170.8-76.4176.3167.800111.1I62 A68 K69 Q70I62-E66 HydrophobicContact CG2-CG 4.24Å; I62-E66 WeakPolarHBondContact O-CB 3.37Å; I62-E66 VanDerWaalsContact O-CG 3.28Å; I62-E66 WeakPolarHBondContact O-CG 3.46Å; I62-E66 PolarHBondContact O-N 3.02Å; E66-A68 VanDerWaalsContact C-N 3.33Å; E66-A68 PolarHBondContact O-N 2.92Å; E66-K69 PolarHBondContact O-N 2.61Å; E66-Q70 PolarHBondContact O-N 3.35Å; E66-Q70 VanDerWaalsContact O-N 3.09Å
67K72.9Confident67.9Low161 Ų161134.4 Ų134.470%0.766%0.66SS**Hα-helixtrans-65.9-35.1175.2-140.3177.1-174.3-175.50112.4R63 Q64 L65R63-K67 WeakPolarHBondContact O-CB 3.4Å; R63-K67 PolarHBondContact O-N 2.74Å; R63-K67 VanDerWaalsContact O-N 3.08Å; Q64-K67 WeakPolarHBondContact O-CB 3.47Å; Q64-K67 PolarHBondContact O-N 3.31Å; L65-K67 VanDerWaalsContact C-N 3.34Å
68A70.6Confident65.7Low82 Ų82136.3 Ų136.368%0.67867%0.673SS**Hα-helixtrans-79.4-25176.900000113.6Q64 L65 E66Q64-A68 WeakPolarHBondContact O-CB 3.42Å; Q64-A68 PolarHBondContact O-N 2.88Å; L65-A68 PolarHBondContact O-N 2.82Å; E66-A68 VanDerWaalsContact C-N 3.33Å; E66-A68 PolarHBondContact O-N 2.92Å
69K68.1Low63.8Low181 Ų181135.9 Ų135.979%0.78768%0.678SS**Hα-helixtrans-83.4-15.1173.4-81.1-175176.3-178.40113.2L65 E66L65-K69 VanDerWaalsContact O-CB 3.31Å; L65-K69 WeakPolarHBondContact O-CB 3.31Å; L65-K69 WeakPolarHBondContact O-CG 3.28Å; L65-K69 PolarHBondContact O-N 3.08Å; E66-K69 PolarHBondContact O-N 2.61Å
70Q52Low62.8Low134 Ų134134 Ų13463%0.62668%0.678SS**SBendtrans-64.8124.5166.1-76.6-1749.300107.8E66 E72E66-Q70 PolarHBondContact O-N 3.35Å; E66-Q70 VanDerWaalsContact O-N 3.09Å; Q70-E72 PolarHBondContact O-N 2.87Å
71P48.1Very low62.7Low114 Ų114136.4 Ų136.474%0.7468%0.682SS**  trans-54.7130.4170.822.4-29.9000107.1K73P71-K73 PolarHBondContact O-N 3.11Å
72E46.6Very low62.7Low182 Ų182133.1 Ų133.185%0.8567%0.67SS**  trans-43.8113169.2-86-173.2151.700106.7Q70 K74Q70-E72 PolarHBondContact O-N 2.87Å; E72-K74 PolarHBondContact O-N 2.97Å
73K47Very low63.1Low199 Ų199130.7 Ų130.787%0.86566%0.66SS**  trans-59.795.3165.2-84.4-177.7176.6178.20104.2P71 Q75P71-K73 PolarHBondContact O-N 3.11Å; K73-Q75 PolarHBondContact O-N 2.75Å
74K40.4Very low63.8Low192 Ų192121.4 Ų121.484%0.83563%0.625SS**  trans-44.4112.6163.6-78.6-176.9176.1-179.40104.4E72 P76E72-K74 PolarHBondContact O-N 2.97Å; K74-P76 VanDerWaalsContact O-N 3.12Å
75Q40.1Very low64.6Low175 Ų175114.9 Ų114.982%0.81859%0.594SS**PPolyproline II helixtrans-49127.4174.4-75.7179.8-22.100105.6K73K73-Q75 PolarHBondContact O-N 2.75Å
76P39.8Very low65.4Low107 Ų107109.6 Ų109.670%0.69557%0.567SS**PPolyproline II helixtrans-52.3146.7169.822.9-30000107.1K74 K78K74-P76 VanDerWaalsContact O-N 3.12Å; P76-K78 PolarHBondContact O-N 2.89Å
77P41.6Very low66.3Low105 Ų105104 Ų10468%0.68254%0.541SS*.PPolyproline II helixtrans-48.3148.8175.123.1-32.5000108.9S79P77-S79 PolarHBondContact O-N 2.75Å; P77-S79 PolarHBondContact O-OG 2.75Å
78K43.3Very low67.6Low226 Ų22696.4 Ų96.498%0.98351%0.507SS*.SBendtrans-5872.5175.1-80.5-179.4172.5178.30111.1P76P76-K78 PolarHBondContact O-N 2.89Å
79S50.3Low68.9Low83 Ų8393 Ų9358%0.5848%0.479SS*.  trans-121.5111.6173.460.90000107.1P77P77-S79 PolarHBondContact O-N 2.75Å; P77-S79 PolarHBondContact O-OG 2.75Å
80S68.4Low70.3Confident84 Ų8484.6 Ų84.659%0.58744%0.443SS*.  trans52.182.5166.863.90000117.3
81L83.2Confident72.5Confident84 Ų8482 Ų8244%0.4443%0.428SS..PPolyproline II helixtrans-64.9138.7157.4-55.6161.4000107.8T83 P111 Q112L81-T83 PolarHBondContact O-N 3.41Å; L81-P111 HydrophobicContact CD1-CB 4.23Å; L81-P111 HydrophobicContact CD1-CG 4.2Å; L81-Q112 VanDerWaalsContact CA-OE1 3.27Å; L81-Q112 HydrophobicContact CB-CB 4.49Å; L81-Q112 HydrophobicContact CB-CG 4.35Å; L81-Q112 PolarHBondContact O-NE2 3.13Å; L81-Q112 PolarHBondContact O-OE1 3.32Å; L81-Q112 VanDerWaalsContact O-OE1 3.06Å
82S90.8Very high74.8Confident34 Ų3480.1 Ų80.124%0.23842%0.422CS..PPolyproline II helixtrans-60133.5173.5-53.80000110.1R210S82-R210 PolarHBondContact O-NH1 2.76Å
83T95.1Very high77.2Confident39 Ų3973.8 Ų73.824%0.23939%0.39CS..EExtended strand (participates in β ladder)trans-68.8133174.4-59.60000110L81 F85 Q112 H114 G190 V191L81-T83 PolarHBondContact O-N 3.41Å; T83-F85 HydrophobicContact CG2-CD1 4.41Å; T83-F85 HydrophobicContact CG2-CD2 4.14Å; T83-F85 HydrophobicContact CG2-CE1 4.03Å; T83-F85 HydrophobicContact CG2-CE2 3.72Å; T83-F85 HydrophobicContact CG2-CG 4.47Å; T83-F85 HydrophobicContact CG2-CZ 3.67Å; T83-Q112 CarbonylContact C-O 3.56Å; T83-Q112 VanDerWaalsContact CA-O 3.28Å; T83-Q112 WeakPolarHBondContact CA-O 3.42Å; T83-H114 HydrophobicContact CG2-CB 3.92Å; T83-G190 CarbonylContact O-C 3.57Å; T83-G190 WeakPolarHBondContact O-CA 3.31Å; T83-V191 PolarHBondContact O-N 2.91Å
84I98.2Very high79.6Confident0 Ų068.5 Ų68.50%037%0.37CS..EExtended strand (participates in β ladder)trans-97110172-55174000107.9V86 V110 Q112 L113 H114 V191 F206 M209 R210I84-V86 HydrophobicContact CG2-CG2 3.82Å; I84-V110 HydrophobicContact CD1-CG1 4.28Å; I84-Q112 PolarHBondContact N-O 3.17Å; I84-L113 WeakPolarHBondContact O-CA 3.48Å; I84-H114 PolarHBondContact O-N 3.49Å; I84-V191 CarbonylContact C-O 3.55Å; I84-V191 WeakPolarHBondContact CA-O 3.5Å; I84-F206 HydrophobicContact CD1-CB 3.92Å; I84-F206 HydrophobicContact CD1-CD1 4.29Å; I84-F206 VanDerWaalsContact CD1-O 3.3Å; I84-F206 WeakPolarHBondContact CD1-O 3.41Å; I84-M209 HydrophobicContact CD1-CG 4.1Å; I84-M209 HydrophobicContact CD1-SD 4.36Å; I84-M209 HydrophobicContact CG2-SD 3.76Å; I84-R210 HydrophobicContact CD1-CB 4.36Å
85F98.5Very high82.3Confident3 Ų360.7 Ų60.71%0.01334%0.339CS..EExtended strand (participates in β ladder)trans-86.7106.2173.3-64.1-85000109.1T83 H114 I116 L175 V191 V192 Y193 L262T83-F85 HydrophobicContact CG2-CD1 4.41Å; T83-F85 HydrophobicContact CG2-CD2 4.14Å; T83-F85 HydrophobicContact CG2-CE1 4.03Å; T83-F85 HydrophobicContact CG2-CE2 3.72Å; T83-F85 HydrophobicContact CG2-CG 4.47Å; T83-F85 HydrophobicContact CG2-CZ 3.67Å; F85-H114 WeakPolarHBondContact CA-O 3.38Å; F85-H114 HydrophobicContact CD1-CB 3.7Å; F85-H114 AromaticContact CD1-CG 3.93Å; F85-H114 HydrophobicContact CE1-CB 3.89Å; F85-H114 AromaticContact CE1-CG 3.97Å; F85-I116 HydrophobicContact CB-CD1 4.13Å; F85-I116 HydrophobicContact CD1-CD1 4.25Å; F85-L175 HydrophobicContact CB-CD1 4.33Å; F85-L175 HydrophobicContact CB-CD2 4.1Å; F85-L175 HydrophobicContact CD1-CD2 3.59Å; F85-L175 HydrophobicContact CD2-CD2 4.37Å; F85-L175 HydrophobicContact CE1-CD2 4.07Å; F85-L175 HydrophobicContact CG-CD2 3.75Å; F85-V191 PolarHBondContact N-O 3.02Å; F85-V192 HydrophobicContact CB-CG2 4.5Å; F85-V192 WeakPolarHBondContact O-CA 3.17Å; F85-Y193 PolarHBondContact O-N 3.43Å; F85-L262 HydrophobicContact CD2-CD2 4.2Å; F85-L262 HydrophobicContact CE2-CD2 3.69Å; F85-L262 HydrophobicContact CZ-CD2 4.43Å
86V98.8Very high85.1Confident0 Ų052.7 Ų52.70%030%0.302CS..EExtended strand (participates in β ladder)trans-97114.1-179.5-176.80000109I84 F107 L113 H114 I116 Y193 A195 F206I84-V86 HydrophobicContact CG2-CG2 3.82Å; V86-F107 HydrophobicContact CB-CZ 4.47Å; V86-F107 HydrophobicContact CG1-CE2 4.01Å; V86-F107 HydrophobicContact CG1-CZ 3.69Å; V86-L113 HydrophobicContact CG2-CD1 3.8Å; V86-L113 HydrophobicContact CG2-CD2 4.29Å; V86-L113 HydrophobicContact CG2-CG 3.93Å; V86-H114 PolarHBondContact N-O 2.75Å; V86-I116 WeakPolarHBondContact O-CA 3.36Å; V86-I116 PolarHBondContact O-N 2.98Å; V86-Y193 CarbonylContact C-O 3.57Å; V86-Y193 WeakPolarHBondContact CA-O 2.99Å; V86-A195 HydrophobicContact CG1-CB 3.46Å; V86-A195 VanDerWaalsContact CG1-CB 3.46Å; V86-F206 HydrophobicContact CG2-CE1 4.38Å
87I98.9Very high87.9Confident0 Ų049.9 Ų49.90%028%0.278CS..EExtended strand (participates in β ladder)trans-92.7117.3174.7-62.3170.1000108.5I116 R168 L172 L175 V192 Y193 F194 A195I87-I116 WeakPolarHBondContact CA-O 3.5Å; I87-I116 HydrophobicContact CG1-CB 4.17Å; I87-I116 HydrophobicContact CG1-CD1 3.88Å; I87-I116 HydrophobicContact CG1-CG2 4.48Å; I87-R168 HydrophobicContact CG2-CG 4.44Å; I87-L172 HydrophobicContact CD1-CD2 4.37Å; I87-L172 HydrophobicContact CD1-CG 4.36Å; I87-L175 HydrophobicContact CD1-CD1 3.89Å; I87-V192 HydrophobicContact CD1-CG1 3.7Å; I87-V192 HydrophobicContact CG1-CG1 4.36Å; I87-Y193 PolarHBondContact N-O 3.43Å; I87-F194 HydrophobicContact CB-CD1 3.92Å; I87-F194 HydrophobicContact CB-CE1 4.22Å; I87-F194 HydrophobicContact CD1-CD1 4.18Å; I87-F194 HydrophobicContact CD1-CE1 3.59Å; I87-F194 HydrophobicContact CD1-CZ 4.34Å; I87-F194 HydrophobicContact CG1-CE1 4.47Å; I87-F194 HydrophobicContact CG2-CD1 4.17Å; I87-F194 HydrophobicContact CG2-CE1 4.42Å; I87-A195 PolarHBondContact O-N 2.96Å
88T98.9Very high90.6Very high0 Ų047.7 Ų47.70%027%0.269CS..EExtended strand (participates in β ladder)trans-120.8111.7179.1-60.30000110.5L103 W115 I116 L117 V118 A195 D197T88-L103 HydrophobicContact CG2-CD2 4.02Å; T88-W115 VanDerWaalsContact CB-NE1 3.33Å; T88-W115 PolarHBondContact OG1-NE1 2.84Å; T88-I116 PolarHBondContact N-O 3.24Å; T88-L117 HydrophobicContact CG2-CD1 3.73Å; T88-L117 WeakPolarHBondContact O-CD1 3.38Å; T88-V118 PolarHBondContact O-N 3.32Å; T88-A195 VanDerWaalsContact CA-O 3.28Å; T88-A195 WeakPolarHBondContact CA-O 3.22Å; T88-A195 VanDerWaalsContact CB-O 3.22Å; T88-A195 WeakPolarHBondContact CB-O 3.28Å; T88-A195 WeakPolarHBondContact CG2-O 3.12Å; T88-A195 PolarHBondContact OG1-O 2.85Å; T88-D197 HydrophobicContact CG2-CB 3.81Å
89P98.7Very high93.3Very high12 Ų1237.2 Ų37.28%0.07822%0.224CC..EExtended strand (participates in β ladder)trans-73.2137.8166.631.7-33.3000109.9V118 Q167 R168P89-V118 WeakPolarHBondContact CA-O 3.39Å; P89-Q167 HydrophobicContact CB-CB 3.71Å; P89-Q167 HydrophobicContact CB-CG 4.42Å; P89-R168 HydrophobicContact CG-CG 4.3Å
90T98.5Very high95.6Very high4 Ų433.3 Ų33.33%0.02520%0.196CC..EExtended strand (participates in β ladder)trans-140.2161.5173.7-165.30000111R93 Q96 L117 V118 E119 D120 D197T90-R93 PolarHBondContact OG1-NH1 3Å; T90-R93 VanDerWaalsContact OG1-NH1 3.14Å; T90-Q96 PolarHBondContact OG1-NE2 3.26Å; T90-L117 HydrophobicContact CG2-CD1 3.76Å; T90-L117 HydrophobicContact CG2-CD2 4.46Å; T90-L117 HydrophobicContact CG2-CG 4.05Å; T90-V118 PolarHBondContact N-O 3.15Å; T90-E119 HydrophobicContact CG2-CG 3.91Å; T90-E119 CarbonylContact O-C 3.57Å; T90-E119 WeakPolarHBondContact O-CA 3.3Å; T90-D120 PolarHBondContact O-N 2.94Å; T90-D197 VanDerWaalsContact CB-OD2 3.32Å; T90-D197 WeakPolarHBondContact CB-OD2 3.13Å; T90-D197 PolarHBondContact OG1-OD2 3.4Å
91Y97.6Very high97Very high80 Ų8031.4 Ų31.431%0.31418%0.181SC..  trans-151156.2178.775.3-68.4000110.5R93 Q96 R163Y91-R93 HydrophobicContact CD2-CB 4.48Å; Y91-R93 VanDerWaalsContact CE1-CD 3.49Å; Y91-R93 HydrophobicContact CE1-CG 4.29Å; Y91-R93 HydrophobicContact CE2-CB 3.81Å; Y91-R93 HydrophobicContact CE2-CG 4.06Å; Y91-R93 VanDerWaalsContact CZ-CD 3.43Å; Y91-R93 WeakPolarHBondContact O-CD 3.06Å; Y91-R93 PolarHBondContact O-N 2.84Å; Y91-R93 PolarHBondContact O-NH1 3.46Å; Y91-Q96 VanDerWaalsContact O-CD 3.25Å; Y91-Q96 PolarHBondContact O-NE2 3.35Å; Y91-R163 PolarHBondContact OH-NH2 3.1Å
92A96.9Very high97.8Very high74 Ų7430.8 Ų30.861%0.61217%0.173SC*.  trans-66.5119.1179.500000111.6
93R96.1Very high98.2Very high49 Ų4929.3 Ų29.319%0.18516%0.162CC..SBendtrans-159.6166.1167.875.7-69.5-176.7-176.72.3109.8T90 Y91 V95 Q96 D197T90-R93 PolarHBondContact OG1-NH1 3Å; T90-R93 VanDerWaalsContact OG1-NH1 3.14Å; Y91-R93 HydrophobicContact CD2-CB 4.48Å; Y91-R93 VanDerWaalsContact CE1-CD 3.49Å; Y91-R93 HydrophobicContact CE1-CG 4.29Å; Y91-R93 HydrophobicContact CE2-CB 3.81Å; Y91-R93 HydrophobicContact CE2-CG 4.06Å; Y91-R93 VanDerWaalsContact CZ-CD 3.43Å; Y91-R93 WeakPolarHBondContact O-CD 3.06Å; Y91-R93 PolarHBondContact O-N 2.84Å; Y91-R93 PolarHBondContact O-NH1 3.46Å; R93-V95 HydrophobicContact CG-CG2 3.88Å; R93-V95 PolarHBondContact O-N 3.48Å; R93-Q96 VanDerWaalsContact O-CB 3.24Å; R93-Q96 WeakPolarHBondContact O-CB 3.16Å; R93-Q96 PolarHBondContact O-N 2.82Å; R93-D197 IonicContact CZ-OD1 3.38Å; R93-D197 IonicContact CZ-OD2 3.23Å; R93-D197 VanDerWaalsContact CZ-OD2 3.23Å; R93-D197 IonicContact NH1-OD1 3.95Å; R93-D197 IonicContact NH1-OD2 3.75Å; R93-D197 PolarHBondContact NH1-OD2 3.36Å; R93-D197 IonicContact NH2-OD1 2.75Å; R93-D197 PolarHBondContact NH2-OD1 3.39Å; R93-D197 IonicContact NH2-OD2 3.57Å; R93-D197 PolarHBondContact NH2-OD2 3.38Å
94L97.1Very high98.3Very high87 Ų8727.9 Ų27.946%0.45515%0.154SC..THydrogen-bonded Turntrans-48.7-37-175.6-64.3171.9000114.8P316 M318L94-P316 HydrophobicContact CB-CG 4.03Å; L94-P316 HydrophobicContact CD1-CB 4.1Å; L94-P316 HydrophobicContact CD1-CG 4.18Å; L94-M318 HydrophobicContact CD1-CE 4.35Å; L94-M318 HydrophobicContact CD1-CG 3.49Å; L94-M318 VanDerWaalsContact CD1-CG 3.49Å; L94-M318 HydrophobicContact CD1-SD 3.79Å; L94-M318 HydrophobicContact CD2-CE 4.19Å
95V98.2Very high98.4Very high29 Ų2933.1 Ų33.118%0.17618%0.178CC..THydrogen-bonded Turntrans-91.8-4.3-177.7-59.40000113.5R93 K97 A98 E99 T313 P316R93-V95 HydrophobicContact CG-CG2 3.88Å; R93-V95 PolarHBondContact O-N 3.48Å; V95-K97 PolarHBondContact O-N 3.2Å; V95-A98 WeakPolarHBondContact O-CB 3.5Å; V95-A98 PolarHBondContact O-N 2.84Å; V95-E99 HydrophobicContact CB-CG 4.19Å; V95-E99 HydrophobicContact CG2-CG 3.94Å; V95-E99 VanDerWaalsContact O-CG 3.24Å; V95-E99 WeakPolarHBondContact O-CG 3.37Å; V95-E99 PolarHBondContact O-N 2.66Å; V95-T313 HydrophobicContact CB-CG2 4.32Å; V95-T313 HydrophobicContact CG1-CG2 3.96Å; V95-T313 HydrophobicContact CG2-CG2 4.38Å; V95-P316 HydrophobicContact CG1-CG 3.55Å
96Q98.6Very high98.4Very high7 Ų734.8 Ų34.83%0.03319%0.189CC..Hα-helixtrans-48.8-54.9-170.9-176179.327.100112.7T90 Y91 R93 A98 E99 L100T90-Q96 PolarHBondContact OG1-NE2 3.26Å; Y91-Q96 VanDerWaalsContact O-CD 3.25Å; Y91-Q96 PolarHBondContact O-NE2 3.35Å; R93-Q96 VanDerWaalsContact O-CB 3.24Å; R93-Q96 WeakPolarHBondContact O-CB 3.16Å; R93-Q96 PolarHBondContact O-N 2.82Å; Q96-A98 VanDerWaalsContact C-N 3.3Å; Q96-A98 PolarHBondContact O-N 2.93Å; Q96-E99 PolarHBondContact O-N 2.71Å; Q96-L100 HydrophobicContact CG-CD1 3.95Å; Q96-L100 HydrophobicContact CG-CG 4.37Å; Q96-L100 WeakPolarHBondContact O-CG 3.47Å; Q96-L100 PolarHBondContact O-N 2.82Å
97K98.8Very high98.4Very high48 Ų4834.8 Ų34.821%0.20919%0.189CC..Hα-helixtrans-64.4-36.4-175.4-173.5170.5163.8-171.40111.7V95 T101 L127 E336 V337V95-K97 PolarHBondContact O-N 3.2Å; K97-T101 VanDerWaalsContact O-CB 3.25Å; K97-T101 WeakPolarHBondContact O-CB 3.48Å; K97-T101 PolarHBondContact O-N 3.49Å; K97-T101 PolarHBondContact O-OG1 2.79Å; K97-L127 HydrophobicContact CB-CD1 4.43Å; K97-L127 HydrophobicContact CB-CD2 4.28Å; K97-L127 HydrophobicContact CD-CD1 4.45Å; K97-L127 HydrophobicContact CD-CG 4.44Å; K97-E336 HydrophobicContact CD-CG 4.08Å; K97-E336 VanDerWaalsContact CE-OE1 3.3Å; K97-E336 WeakPolarHBondContact CE-OE1 3.43Å; K97-E336 PolarHBondContact NZ-O 2.99Å; K97-E336 VanDerWaalsContact NZ-O 3.08Å; K97-E336 IonicContact NZ-OE1 2.76Å; K97-E336 PolarHBondContact NZ-OE1 2.99Å; K97-V337 WeakPolarHBondContact CD-OXT 3.42Å
98A98.8Very high98.3Very high58 Ų5839.2 Ų39.248%0.47921%0.212SC..Hα-helixtrans-65-43.7175.100000112.2V95 Q96 T101 R102V95-A98 WeakPolarHBondContact O-CB 3.5Å; V95-A98 PolarHBondContact O-N 2.84Å; Q96-A98 VanDerWaalsContact C-N 3.3Å; Q96-A98 PolarHBondContact O-N 2.93Å; A98-T101 WeakPolarHBondContact O-CB 3.31Å; A98-T101 PolarHBondContact O-N 2.69Å; A98-R102 PolarHBondContact O-N 3.45Å; A98-R102 VanDerWaalsContact O-N 3.1Å
99E98.8Very high98.3Very high7 Ų745.5 Ų45.53%0.03324%0.241CC..Hα-helixtrans-62.3-49.3177.6-58.7-71.8-145.300111.3V95 Q96 T101 R102 L103 T313V95-E99 HydrophobicContact CB-CG 4.19Å; V95-E99 HydrophobicContact CG2-CG 3.94Å; V95-E99 VanDerWaalsContact O-CG 3.24Å; V95-E99 WeakPolarHBondContact O-CG 3.37Å; V95-E99 PolarHBondContact O-N 2.66Å; Q96-E99 PolarHBondContact O-N 2.71Å; E99-T101 VanDerWaalsContact C-N 3.29Å; E99-T101 PolarHBondContact O-N 3.29Å; E99-R102 VanDerWaalsContact O-CG 3.24Å; E99-R102 WeakPolarHBondContact O-CG 3.2Å; E99-R102 PolarHBondContact O-N 3.11Å; E99-R102 IonicContact OE1-NH2 3.25Å; E99-R102 IonicContact OE2-CZ 3.45Å; E99-R102 IonicContact OE2-NE 2.75Å; E99-R102 PolarHBondContact OE2-NE 2.83Å; E99-R102 IonicContact OE2-NH2 2.83Å; E99-R102 PolarHBondContact OE2-NH2 2.57Å; E99-L103 WeakPolarHBondContact O-CB 3.37Å; E99-L103 PolarHBondContact O-N 2.78Å; E99-T313 WeakPolarHBondContact OE1-CB 3.42Å; E99-T313 PolarHBondContact OE1-OG1 3.36Å; E99-T313 PolarHBondContact OE2-OG1 3.39Å
100L98.8Very high98.3Very high0 Ų045.6 Ų45.60%024%0.241CC..Hα-helixtrans-62.1-38.6176.1-64.4179.5000111.7Q96 L103 S104 W115 L117 V128 F131 D197Q96-L100 HydrophobicContact CG-CD1 3.95Å; Q96-L100 HydrophobicContact CG-CG 4.37Å; Q96-L100 WeakPolarHBondContact O-CG 3.47Å; Q96-L100 PolarHBondContact O-N 2.82Å; L100-L103 PolarHBondContact O-N 3.39Å; L100-S104 VanDerWaalsContact O-CB 3.3Å; L100-S104 WeakPolarHBondContact O-CB 3.27Å; L100-S104 PolarHBondContact O-N 3.21Å; L100-S104 PolarHBondContact O-OG 2.97Å; L100-W115 HydrophobicContact CD2-CH2 4.14Å; L100-W115 HydrophobicContact CD2-CZ2 4.03Å; L100-L117 HydrophobicContact CD1-CD2 4.19Å; L100-L117 HydrophobicContact CD2-CD1 3.83Å; L100-L117 HydrophobicContact CD2-CD2 4.04Å; L100-V128 HydrophobicContact CD1-CG2 4.05Å; L100-F131 HydrophobicContact CB-CD1 4.25Å; L100-F131 HydrophobicContact CB-CE1 3.72Å; L100-F131 HydrophobicContact CB-CE2 4.28Å; L100-F131 HydrophobicContact CB-CZ 3.75Å; L100-F131 HydrophobicContact CD1-CD1 4.45Å; L100-F131 VanDerWaalsContact O-CZ 3.27Å; L100-F131 WeakPolarHBondContact O-CZ 3.42Å; L100-D197 HydrophobicContact CD2-CB 4.2Å
101T98.8Very high98.2Very high44 Ų4448.2 Ų48.227%0.2726%0.259SS..Hα-helixtrans-59-56.7178.7-64.40000111K97 A98 E99 L103 S104 Q105K97-T101 VanDerWaalsContact O-CB 3.25Å; K97-T101 WeakPolarHBondContact O-CB 3.48Å; K97-T101 PolarHBondContact O-N 3.49Å; K97-T101 PolarHBondContact O-OG1 2.79Å; A98-T101 WeakPolarHBondContact O-CB 3.31Å; A98-T101 PolarHBondContact O-N 2.69Å; E99-T101 VanDerWaalsContact C-N 3.29Å; E99-T101 PolarHBondContact O-N 3.29Å; T101-L103 VanDerWaalsContact C-N 3.28Å; T101-L103 PolarHBondContact O-N 2.87Å; T101-S104 PolarHBondContact O-N 2.94Å; T101-S104 PolarHBondContact O-OG 2.98Å; T101-Q105 WeakPolarHBondContact O-CG 3.33Å; T101-Q105 PolarHBondContact O-N 3.44Å
102R98.6Very high98.1Very high72 Ų7248.6 Ų48.627%0.27226%0.263SS..Hα-helixtrans-64.5-34.8-17965.3-179.9-178.686.8-7.4112.3A98 E99 Q105 T106 D198 N199A98-R102 PolarHBondContact O-N 3.45Å; A98-R102 VanDerWaalsContact O-N 3.1Å; E99-R102 VanDerWaalsContact O-CG 3.24Å; E99-R102 WeakPolarHBondContact O-CG 3.2Å; E99-R102 PolarHBondContact O-N 3.11Å; E99-R102 IonicContact OE1-NH2 3.25Å; E99-R102 IonicContact OE2-CZ 3.45Å; E99-R102 IonicContact OE2-NE 2.75Å; E99-R102 PolarHBondContact OE2-NE 2.83Å; E99-R102 IonicContact OE2-NH2 2.83Å; E99-R102 PolarHBondContact OE2-NH2 2.57Å; R102-Q105 PolarHBondContact O-N 3.27Å; R102-T106 PolarHBondContact O-N 2.86Å; R102-T106 PolarHBondContact O-OG1 3.5Å; R102-D198 PolarHBondContact NH2-O 3.22Å; R102-N199 PolarHBondContact NH1-O 3.25Å
103L98.8Very high98.1Very high2 Ų245.7 Ų45.71%0.0124%0.237CC..Hα-helixtrans-66.7-46.2177.6-173.362.7000111.4T88 E99 L100 T101 Q105 T106 F107 W115 D197 Y201T88-L103 HydrophobicContact CG2-CD2 4.02Å; E99-L103 WeakPolarHBondContact O-CB 3.37Å; E99-L103 PolarHBondContact O-N 2.78Å; L100-L103 PolarHBondContact O-N 3.39Å; T101-L103 VanDerWaalsContact C-N 3.28Å; T101-L103 PolarHBondContact O-N 2.87Å; L103-Q105 VanDerWaalsContact C-N 3.29Å; L103-Q105 PolarHBondContact O-N 3.37Å; L103-T106 WeakPolarHBondContact O-CB 3.46Å; L103-T106 PolarHBondContact O-N 3.4Å; L103-T106 VanDerWaalsContact O-N 3.13Å; L103-F107 HydrophobicContact CD1-CD1 4.33Å; L103-F107 HydrophobicContact CD1-CE1 3.53Å; L103-F107 HydrophobicContact CD1-CE2 4.01Å; L103-F107 HydrophobicContact CD1-CZ 3.35Å; L103-F107 HydrophobicContact CD2-CE2 3.85Å; L103-F107 HydrophobicContact CD2-CZ 3.84Å; L103-F107 HydrophobicContact CG-CD2 4.21Å; L103-F107 HydrophobicContact CG-CE1 4.03Å; L103-F107 HydrophobicContact CG-CE2 3.59Å; L103-F107 HydrophobicContact CG-CZ 3.49Å; L103-F107 VanDerWaalsContact CG-CZ 3.49Å; L103-F107 WeakPolarHBondContact O-CG 3.48Å; L103-F107 PolarHBondContact O-N 2.96Å; L103-W115 HydrophobicContact CD2-CZ2 3.94Å; L103-W115 HydrophobicContact CG-CZ2 4.48Å; L103-D197 HydrophobicContact CD2-CB 4.39Å; L103-Y201 HydrophobicContact CD1-CD2 3.54Å; L103-Y201 HydrophobicContact CD1-CE2 3.63Å
104S98.7Very high98.3Very high9 Ų944.7 Ų44.76%0.06323%0.234CC..Hα-helixtrans-60.6-39.4177.6720000112.2L100 T101 T106 F107 L108 F131L100-S104 VanDerWaalsContact O-CB 3.3Å; L100-S104 WeakPolarHBondContact O-CB 3.27Å; L100-S104 PolarHBondContact O-N 3.21Å; L100-S104 PolarHBondContact O-OG 2.97Å; T101-S104 PolarHBondContact O-N 2.94Å; T101-S104 PolarHBondContact O-OG 2.98Å; S104-T106 VanDerWaalsContact C-N 3.32Å; S104-T106 PolarHBondContact O-N 3.39Å; S104-F107 PolarHBondContact O-N 2.82Å; S104-L108 WeakPolarHBondContact O-CG 3.29Å; S104-L108 PolarHBondContact O-N 3.24Å; S104-F131 WeakPolarHBondContact OG-CZ 3.45Å
105Q98.7Very high98.3Very high110 Ų11040.5 Ų40.551%0.51421%0.213SC..Hα-helixtrans-63.3-38.2176.5-72.3170.4-4.900111.6T101 R102 L103 H109T101-Q105 WeakPolarHBondContact O-CG 3.33Å; T101-Q105 PolarHBondContact O-N 3.44Å; R102-Q105 PolarHBondContact O-N 3.27Å; L103-Q105 VanDerWaalsContact C-N 3.29Å; L103-Q105 PolarHBondContact O-N 3.37Å; Q105-H109 PolarHBondContact O-CE1 3.44Å; Q105-H109 VanDerWaalsContact O-CE1 3.24Å; Q105-H109 PolarHBondContact O-ND1 3.18Å
106T98.8Very high98.4Very high39 Ų3939.1 Ų39.124%0.23920%0.204CC..Hα-helixtrans-63.8-48.2171.1-62.40000111.3R102 L103 S104 L108 H109 L203 F206R102-T106 PolarHBondContact O-N 2.86Å; R102-T106 PolarHBondContact O-OG1 3.5Å; L103-T106 WeakPolarHBondContact O-CB 3.46Å; L103-T106 PolarHBondContact O-N 3.4Å; L103-T106 VanDerWaalsContact O-N 3.13Å; S104-T106 VanDerWaalsContact C-N 3.32Å; S104-T106 PolarHBondContact O-N 3.39Å; T106-L108 VanDerWaalsContact C-N 3.28Å; T106-L108 PolarHBondContact O-N 3.07Å; T106-H109 PolarHBondContact O-N 3.49Å; T106-H109 VanDerWaalsContact O-N 3.15Å; T106-L203 HydrophobicContact CG2-CD2 3.99Å; T106-F206 HydrophobicContact CG2-CE2 4.29Å
107F98.7Very high98.4Very high0 Ų038.8 Ų38.80%020%0.203CC..Hα-helixtrans-64.4-28.6-177-67.5-9.7000113.9V86 L103 S104 H109 V110 L113 W115 L137 A195 F206V86-F107 HydrophobicContact CB-CZ 4.47Å; V86-F107 HydrophobicContact CG1-CE2 4.01Å; V86-F107 HydrophobicContact CG1-CZ 3.69Å; L103-F107 HydrophobicContact CD1-CD1 4.33Å; L103-F107 HydrophobicContact CD1-CE1 3.53Å; L103-F107 HydrophobicContact CD1-CE2 4.01Å; L103-F107 HydrophobicContact CD1-CZ 3.35Å; L103-F107 HydrophobicContact CD2-CE2 3.85Å; L103-F107 HydrophobicContact CD2-CZ 3.84Å; L103-F107 HydrophobicContact CG-CD2 4.21Å; L103-F107 HydrophobicContact CG-CE1 4.03Å; L103-F107 HydrophobicContact CG-CE2 3.59Å; L103-F107 HydrophobicContact CG-CZ 3.49Å; L103-F107 VanDerWaalsContact CG-CZ 3.49Å; L103-F107 WeakPolarHBondContact O-CG 3.48Å; L103-F107 PolarHBondContact O-N 2.96Å; S104-F107 PolarHBondContact O-N 2.82Å; F107-H109 PolarHBondContact O-N 3.37Å; F107-H109 VanDerWaalsContact O-N 3.08Å; F107-V110 PolarHBondContact O-N 2.77Å; F107-L113 HydrophobicContact CB-CD1 4.06Å; F107-L113 HydrophobicContact CB-CD2 4.16Å; F107-L113 HydrophobicContact CD1-CD1 3.91Å; F107-L113 HydrophobicContact CD2-CD2 4.17Å; F107-L113 HydrophobicContact CG-CD1 3.92Å; F107-L113 HydrophobicContact CG-CD2 4.2Å; F107-W115 AromaticContact CD2-CD2 3.9Å; F107-W115 HydrophobicContact CD2-CD2 3.9Å; F107-W115 HydrophobicContact CD2-CE3 4.32Å; F107-W115 HydrophobicContact CD2-CG 4.01Å; F107-W115 AromaticContact CE2-CD1 3.73Å; F107-W115 AromaticContact CE2-CD2 3.99Å; F107-W115 HydrophobicContact CE2-CD2 3.99Å; F107-W115 AromaticContact CE2-CE2 3.71Å; F107-W115 AromaticContact CE2-CG 3.99Å; F107-W115 HydrophobicContact CE2-CG 3.99Å; F107-W115 HydrophobicContact CE2-CZ2 4.26Å; F107-W115 AromaticContact CE2-NE1 3.56Å; F107-L137 HydrophobicContact CB-CD1 3.95Å; F107-L137 HydrophobicContact CB-CD2 3.84Å; F107-L137 HydrophobicContact CD2-CD1 4.45Å; F107-A195 HydrophobicContact CZ-CB 4.42Å; F107-F206 HydrophobicContact CD1-CE1 4.44Å; F107-F206 HydrophobicContact CD1-CZ 4.01Å; F107-F206 HydrophobicContact CE1-CE1 4.11Å; F107-F206 AromaticContact CE1-CZ 3.67Å; F107-F206 HydrophobicContact CE1-CZ 3.67Å
108L98.4Very high98.4Very high93 Ų9336.5 Ų36.549%0.48719%0.193SC..THydrogen-bonded Turntrans-59.6-20.9175.9-81.9170000113.5S104 T106 L137S104-L108 WeakPolarHBondContact O-CG 3.29Å; S104-L108 PolarHBondContact O-N 3.24Å; T106-L108 VanDerWaalsContact C-N 3.28Å; T106-L108 PolarHBondContact O-N 3.07Å; L108-L137 HydrophobicContact CD2-CD2 3.85Å; L108-L137 HydrophobicContact CD2-CG 4.12Å; L108-L137 HydrophobicContact CG-CD2 3.99Å; L108-L137 HydrophobicContact CG-CG 4.28Å
109H98.5Very high98.4Very high132 Ų13233.9 Ų33.961%0.61117%0.171SC*.THydrogen-bonded Turntrans-90.9-4.1178.1-60.782.9000113.1Q105 T106 F107 L203Q105-H109 PolarHBondContact O-CE1 3.44Å; Q105-H109 VanDerWaalsContact O-CE1 3.24Å; Q105-H109 PolarHBondContact O-ND1 3.18Å; T106-H109 PolarHBondContact O-N 3.49Å; T106-H109 VanDerWaalsContact O-N 3.15Å; F107-H109 PolarHBondContact O-N 3.37Å; F107-H109 VanDerWaalsContact O-N 3.08Å; H109-L203 HydrophobicContact CB-CD1 3.82Å; H109-L203 HydrophobicContact CB-CD2 3.67Å; H109-L203 HydrophobicContact CB-CG 4.41Å
110V98.3Very high98.3Very high13 Ų1335 Ų358%0.07918%0.177CC..SBendtrans-101.9113.1-175.6-174.50000109.9I84 F107 L113 L203 F206I84-V110 HydrophobicContact CD1-CG1 4.28Å; F107-V110 PolarHBondContact O-N 2.77Å; V110-L113 HydrophobicContact CB-CB 4.23Å; V110-L113 HydrophobicContact CB-CD1 3.76Å; V110-L113 HydrophobicContact CG1-CB 4.12Å; V110-L113 HydrophobicContact CG1-CD1 3.84Å; V110-L113 HydrophobicContact CG2-CD1 4.22Å; V110-L203 HydrophobicContact CG2-CD2 4.22Å; V110-F206 HydrophobicContact CB-CG 4.41Å; V110-F206 HydrophobicContact CG1-CB 3.59Å; V110-F206 HydrophobicContact CG1-CD1 4.12Å; V110-F206 HydrophobicContact CG1-CD2 4.49Å; V110-F206 HydrophobicContact CG1-CG 3.81Å; V110-F206 HydrophobicContact CG2-CB 4.11Å; V110-F206 HydrophobicContact CG2-CD1 4.28Å; V110-F206 HydrophobicContact CG2-CD2 3.52Å; V110-F206 HydrophobicContact CG2-CE2 4Å; V110-F206 HydrophobicContact CG2-CG 3.69Å
111P96.3Very high98.3Very high60 Ų6035.9 Ų35.939%0.3918%0.183SC..THydrogen-bonded Turntrans-70.6147.5179.628.3-33000111.4L81 L113 R210L81-P111 HydrophobicContact CD1-CB 4.23Å; L81-P111 HydrophobicContact CD1-CG 4.2Å; P111-L113 VanDerWaalsContact C-N 3.33Å; P111-L113 PolarHBondContact O-N 2.74Å; P111-R210 PolarHBondContact O-NH1 2.64Å; P111-R210 PolarHBondContact O-NH2 2.76Å
112Q95.7Very high98.2Very high88 Ų8838.4 Ų38.441%0.41120%0.2SC..THydrogen-bonded Turntrans50.251-179-62.1-165.3-111.200112.5L81 T83 I84L81-Q112 VanDerWaalsContact CA-OE1 3.27Å; L81-Q112 HydrophobicContact CB-CB 4.49Å; L81-Q112 HydrophobicContact CB-CG 4.35Å; L81-Q112 PolarHBondContact O-NE2 3.13Å; L81-Q112 PolarHBondContact O-OE1 3.32Å; L81-Q112 VanDerWaalsContact O-OE1 3.06Å; T83-Q112 CarbonylContact C-O 3.56Å; T83-Q112 VanDerWaalsContact CA-O 3.28Å; T83-Q112 WeakPolarHBondContact CA-O 3.42Å; I84-Q112 PolarHBondContact N-O 3.17Å
113L97.9Very high98.2Very high13 Ų1343.6 Ų43.67%0.06822%0.22CC..EExtended strand (participates in β ladder)trans-104.4133.6171.6-173.9152.2000109.4I84 V86 F107 V110 P111 W115 F206I84-L113 WeakPolarHBondContact O-CA 3.48Å; V86-L113 HydrophobicContact CG2-CD1 3.8Å; V86-L113 HydrophobicContact CG2-CD2 4.29Å; V86-L113 HydrophobicContact CG2-CG 3.93Å; F107-L113 HydrophobicContact CB-CD1 4.06Å; F107-L113 HydrophobicContact CB-CD2 4.16Å; F107-L113 HydrophobicContact CD1-CD1 3.91Å; F107-L113 HydrophobicContact CD2-CD2 4.17Å; F107-L113 HydrophobicContact CG-CD1 3.92Å; F107-L113 HydrophobicContact CG-CD2 4.2Å; V110-L113 HydrophobicContact CB-CB 4.23Å; V110-L113 HydrophobicContact CB-CD1 3.76Å; V110-L113 HydrophobicContact CG1-CB 4.12Å; V110-L113 HydrophobicContact CG1-CD1 3.84Å; V110-L113 HydrophobicContact CG2-CD1 4.22Å; P111-L113 VanDerWaalsContact C-N 3.33Å; P111-L113 PolarHBondContact O-N 2.74Å; L113-W115 HydrophobicContact CD2-CB 3.95Å; L113-F206 HydrophobicContact CD1-CD1 4.35Å; L113-F206 HydrophobicContact CD1-CE1 4.26Å
114H98.3Very high98.1Very high27 Ų2748.3 Ų48.313%0.12524%0.24CC..EExtended strand (participates in β ladder)trans-115.6115.3170.7-170.9116000109T83 I84 F85 V86 T138 T140 W174T83-H114 HydrophobicContact CG2-CB 3.92Å; I84-H114 PolarHBondContact O-N 3.49Å; F85-H114 WeakPolarHBondContact CA-O 3.38Å; F85-H114 HydrophobicContact CD1-CB 3.7Å; F85-H114 AromaticContact CD1-CG 3.93Å; F85-H114 HydrophobicContact CE1-CB 3.89Å; F85-H114 AromaticContact CE1-CG 3.97Å; V86-H114 PolarHBondContact N-O 2.75Å; H114-T138 WeakPolarHBondContact ND1-CG2 3.26Å; H114-T140 PolarHBondContact NE2-N 2.91Å; H114-T140 PolarHBondContact NE2-OG1 3.36Å; H114-W174 AromaticContact NE2-CH2 3.72Å
115W98.9Very high98.1Very high0 Ų049.1 Ų49.10%025%0.245CC..EExtended strand (participates in β ladder)trans-93.3113.9-175.9-170.721.7000112T88 L100 L103 F107 L113 L117 F131 L132 L137 T138 Y139 T140T88-W115 VanDerWaalsContact CB-NE1 3.33Å; T88-W115 PolarHBondContact OG1-NE1 2.84Å; L100-W115 HydrophobicContact CD2-CH2 4.14Å; L100-W115 HydrophobicContact CD2-CZ2 4.03Å; L103-W115 HydrophobicContact CD2-CZ2 3.94Å; L103-W115 HydrophobicContact CG-CZ2 4.48Å; F107-W115 AromaticContact CD2-CD2 3.9Å; F107-W115 HydrophobicContact CD2-CD2 3.9Å; F107-W115 HydrophobicContact CD2-CE3 4.32Å; F107-W115 HydrophobicContact CD2-CG 4.01Å; F107-W115 AromaticContact CE2-CD1 3.73Å; F107-W115 AromaticContact CE2-CD2 3.99Å; F107-W115 HydrophobicContact CE2-CD2 3.99Å; F107-W115 AromaticContact CE2-CE2 3.71Å; F107-W115 AromaticContact CE2-CG 3.99Å; F107-W115 HydrophobicContact CE2-CG 3.99Å; F107-W115 HydrophobicContact CE2-CZ2 4.26Å; F107-W115 AromaticContact CE2-NE1 3.56Å; L113-W115 HydrophobicContact CD2-CB 3.95Å; W115-L117 HydrophobicContact CH2-CD2 4.15Å; W115-L117 HydrophobicContact CZ2-CD1 3.76Å; W115-L117 HydrophobicContact CZ2-CD2 4.06Å; W115-L117 HydrophobicContact CZ2-CG 4.37Å; W115-F131 AromaticContact CH2-CE1 3.87Å; W115-F131 HydrophobicContact CH2-CE1 3.87Å; W115-F131 AromaticContact CZ3-CE1 3.88Å; W115-F131 HydrophobicContact CZ3-CE1 3.88Å; W115-L132 HydrophobicContact CD2-CD2 4.48Å; W115-L132 HydrophobicContact CE3-CD2 3.71Å; W115-L132 HydrophobicContact CH2-CD2 4.44Å; W115-L132 HydrophobicContact CZ3-CD2 3.69Å; W115-L137 HydrophobicContact CD2-CD1 4.44Å; W115-L137 HydrophobicContact CE3-CD1 3.47Å; W115-L137 VanDerWaalsContact CE3-CD1 3.47Å; W115-L137 HydrophobicContact CZ3-CD1 3.79Å; W115-T138 PolarHBondContact N-O 3.48Å; W115-Y139 CarbonylContact O-C 3.56Å; W115-Y139 WeakPolarHBondContact O-CA 3.12Å; W115-Y139 VanDerWaalsContact O-CB 3.28Å; W115-Y139 WeakPolarHBondContact O-CB 3.36Å; W115-T140 PolarHBondContact O-N 3.26Å
116I98.9Very high98.1Very high0 Ų048.3 Ų48.30%025%0.249CC..EExtended strand (participates in β ladder)trans-97.994.1176-53.6166.5000107.7F85 V86 I87 T88 V118 T140 L142 W174 L175F85-I116 HydrophobicContact CB-CD1 4.13Å; F85-I116 HydrophobicContact CD1-CD1 4.25Å; V86-I116 WeakPolarHBondContact O-CA 3.36Å; V86-I116 PolarHBondContact O-N 2.98Å; I87-I116 WeakPolarHBondContact CA-O 3.5Å; I87-I116 HydrophobicContact CG1-CB 4.17Å; I87-I116 HydrophobicContact CG1-CD1 3.88Å; I87-I116 HydrophobicContact CG1-CG2 4.48Å; T88-I116 PolarHBondContact N-O 3.24Å; I116-V118 HydrophobicContact CG2-CG2 3.99Å; I116-T140 WeakPolarHBondContact CA-O 3.47Å; I116-L142 HydrophobicContact CG2-CD1 3.78Å; I116-L142 HydrophobicContact CG2-CG 4.45Å; I116-W174 HydrophobicContact CD1-CE3 3.69Å; I116-W174 HydrophobicContact CD1-CZ3 3.56Å; I116-W174 HydrophobicContact CG1-CE3 4.09Å; I116-W174 HydrophobicContact CG1-CZ3 3.85Å; I116-W174 HydrophobicContact CG2-CE3 4.46Å; I116-L175 HydrophobicContact CD1-CD1 3.98Å; I116-L175 HydrophobicContact CD1-CD2 3.78Å; I116-L175 HydrophobicContact CD1-CG 3.71Å
117L98.9Very high98.1Very high0 Ų048 Ų480%025%0.246CC..EExtended strand (participates in β ladder)trans-93.7120.4-179.9-171.661.6000109.8T88 T90 L100 W115 V128 L132 T140 L142T88-L117 HydrophobicContact CG2-CD1 3.73Å; T88-L117 WeakPolarHBondContact O-CD1 3.38Å; T90-L117 HydrophobicContact CG2-CD1 3.76Å; T90-L117 HydrophobicContact CG2-CD2 4.46Å; T90-L117 HydrophobicContact CG2-CG 4.05Å; L100-L117 HydrophobicContact CD1-CD2 4.19Å; L100-L117 HydrophobicContact CD2-CD1 3.83Å; L100-L117 HydrophobicContact CD2-CD2 4.04Å; W115-L117 HydrophobicContact CH2-CD2 4.15Å; W115-L117 HydrophobicContact CZ2-CD1 3.76Å; W115-L117 HydrophobicContact CZ2-CD2 4.06Å; W115-L117 HydrophobicContact CZ2-CG 4.37Å; L117-V128 HydrophobicContact CD2-CG1 3.51Å; L117-V128 HydrophobicContact CG-CG1 4.32Å; L117-L132 HydrophobicContact CB-CD1 4.23Å; L117-L132 HydrophobicContact CB-CD2 4.37Å; L117-L132 HydrophobicContact CD2-CD1 3.98Å; L117-L132 HydrophobicContact CD2-CD2 3.8Å; L117-L132 HydrophobicContact CD2-CG 4Å; L117-T140 PolarHBondContact N-O 3.37Å; L117-L142 PolarHBondContact O-N 2.89Å
118V98.9Very high98.1Very high0 Ų048 Ų480%025%0.246CC..EExtended strand (participates in β ladder)trans-119.5112.2-173.3-167.10000110.5T88 P89 T90 I116 L142 V144 Q167 E170T88-V118 PolarHBondContact O-N 3.32Å; P89-V118 WeakPolarHBondContact CA-O 3.39Å; T90-V118 PolarHBondContact N-O 3.15Å; I116-V118 HydrophobicContact CG2-CG2 3.99Å; V118-L142 WeakPolarHBondContact CA-O 3.37Å; V118-L142 HydrophobicContact CB-CB 4.37Å; V118-L142 HydrophobicContact CG1-CB 4Å; V118-L142 HydrophobicContact CG2-CB 4.07Å; V118-L142 HydrophobicContact CG2-CD1 4.17Å; V118-V144 HydrophobicContact CG1-CG1 4.11Å; V118-Q167 HydrophobicContact CB-CB 3.91Å; V118-Q167 HydrophobicContact CB-CG 4.44Å; V118-Q167 HydrophobicContact CG1-CB 3.67Å; V118-Q167 HydrophobicContact CG1-CG 3.94Å; V118-E170 HydrophobicContact CG1-CB 4.18Å; V118-E170 HydrophobicContact CG1-CG 4.08Å
119E98.7Very high98.1Very high2 Ų245 Ų451%0.00923%0.233CC..EExtended strand (participates in β ladder)trans-80.8132.5179.5-61.9-170.2-94.500112.2T90 S121 K124 T125 V128 H141 L142 N143 V144T90-E119 HydrophobicContact CG2-CG 3.91Å; T90-E119 CarbonylContact O-C 3.57Å; T90-E119 WeakPolarHBondContact O-CA 3.3Å; E119-S121 PolarHBondContact O-N 3.45Å; E119-K124 VanDerWaalsContact OE1-CA 3.32Å; E119-K124 WeakPolarHBondContact OE1-CA 3.2Å; E119-T125 PolarHBondContact OE1-N 3.5Å; E119-T125 WeakPolarHBondContact OE2-CB 3.38Å; E119-T125 WeakPolarHBondContact OE2-CG2 3.21Å; E119-T125 PolarHBondContact OE2-OG1 3.47Å; E119-V128 HydrophobicContact CG-CB 4.28Å; E119-V128 HydrophobicContact CG-CG1 4.12Å; E119-V128 HydrophobicContact CG-CG2 4.16Å; E119-V128 WeakPolarHBondContact OE2-CG2 3.44Å; E119-H141 IonicContact OE1-CD2 2.79Å; E119-H141 IonicContact OE1-CE1 2.78Å; E119-H141 PolarHBondContact OE1-CE1 2.84Å; E119-H141 IonicContact OE1-NE2 3.39Å; E119-H141 PolarHBondContact OE1-NE2 3.42Å; E119-L142 PolarHBondContact N-O 3.14Å; E119-N143 HydrophobicContact CB-CB 4.12Å; E119-N143 CarbonylContact O-C 3.54Å; E119-N143 VanDerWaalsContact O-CA 3.31Å; E119-N143 WeakPolarHBondContact O-CA 3.13Å; E119-V144 PolarHBondContact O-N 2.97Å
120D98Very high98.1Very high32 Ų3242 Ų4217%0.17122%0.221CC..SBendtrans-72.274.5159.5177.413000109.3T90 V144 P145 T146 K151 Q167T90-D120 PolarHBondContact O-N 2.94Å; D120-V144 WeakPolarHBondContact CA-O 3.32Å; D120-P145 WeakPolarHBondContact OD1-CA 3.4Å; D120-T146 PolarHBondContact OD1-N 3.39Å; D120-K151 IonicContact OD1-NZ 2.78Å; D120-K151 PolarHBondContact OD1-NZ 2.65Å; D120-K151 WeakPolarHBondContact OD2-CE 3.47Å; D120-K151 IonicContact OD2-NZ 2.82Å; D120-K151 PolarHBondContact OD2-NZ 3.27Å; D120-Q167 HydrophobicContact CB-CG 4.27Å
121S97.3Very high98.1Very high18 Ų1842.7 Ų42.713%0.12622%0.223CC..SBendtrans-154.3146.2-177.5176.50000110.5E119 R123 N143E119-S121 PolarHBondContact O-N 3.45Å; S121-R123 VanDerWaalsContact CB-O 3.24Å; S121-R123 WeakPolarHBondContact CB-O 3.31Å; S121-R123 PolarHBondContact O-N 3.38Å; S121-R123 PolarHBondContact OG-N 3.47Å; S121-R123 PolarHBondContact OG-O 2.89Å; S121-N143 PolarHBondContact O-ND2 3.03Å
122P97.1Very high98.2Very high97 Ų9739.9 Ų39.963%0.6321%0.205SC*.SBendtrans-66-1517328.8-36.6000113.2N143P122-N143 PolarHBondContact O-ND2 3Å
123R97.8Very high98.3Very high181 Ų18141.4 Ų41.468%0.68321%0.213SC*.SBendtrans-146.5156178.560.4-179.2175.6-100.8-0111.5S121 T125 N143S121-R123 VanDerWaalsContact CB-O 3.24Å; S121-R123 WeakPolarHBondContact CB-O 3.31Å; S121-R123 PolarHBondContact O-N 3.38Å; S121-R123 PolarHBondContact OG-N 3.47Å; S121-R123 PolarHBondContact OG-O 2.89Å; R123-T125 PolarHBondContact O-N 3.5Å; R123-N143 WeakPolarHBondContact CA-ND2 3.36Å; R123-N143 PolarHBondContact N-ND2 3.26Å
124K98.6Very high98.3Very high100 Ų10049.2 Ų49.244%0.43525%0.247SC..  trans-60.2124.5167.2-65.8177.4-173.1176.70109.8E119 H141 N143E119-K124 VanDerWaalsContact OE1-CA 3.32Å; E119-K124 WeakPolarHBondContact OE1-CA 3.2Å; K124-H141 VanDerWaalsContact CB-CE1 3.47Å; K124-H141 WeakPolarHBondContact CB-CE1 3.34Å; K124-H141 WeakPolarHBondContact CE-O 3.16Å; K124-H141 PolarHBondContact NZ-O 3.37Å; K124-N143 HydrophobicContact CG-CB 4.33Å; K124-N143 WeakPolarHBondContact CG-OD1 3.44Å
125T98.5Very high98.3Very high26 Ų2648.6 Ų48.616%0.1625%0.246CC..  trans-81.6149.2-178.465.70000110.8E119 R123 L127 V128 S129E119-T125 PolarHBondContact OE1-N 3.5Å; E119-T125 WeakPolarHBondContact OE2-CB 3.38Å; E119-T125 WeakPolarHBondContact OE2-CG2 3.21Å; E119-T125 PolarHBondContact OE2-OG1 3.47Å; R123-T125 PolarHBondContact O-N 3.5Å; T125-L127 PolarHBondContact O-N 2.99Å; T125-V128 PolarHBondContact O-N 2.92Å; T125-V128 WeakPolarHBondContact OG1-CG2 3.3Å; T125-V128 PolarHBondContact OG1-N 3Å; T125-S129 WeakPolarHBondContact O-CB 3.46Å; T125-S129 PolarHBondContact O-N 2.82Å; T125-S129 PolarHBondContact O-OG 3.38Å
126P98.3Very high98.2Very high94 Ų9452 Ų5261%0.6128%0.28SS*.Hα-helixtrans-57.3-38.9173.4-26.835.7000112.6S129 N130P126-S129 PolarHBondContact O-N 3Å; P126-N130 WeakPolarHBondContact O-CB 3.44Å; P126-N130 PolarHBondContact O-N 3.3Å; P126-N130 PolarHBondContact O-ND2 2.7Å; P126-N130 VanDerWaalsContact O-ND2 3.11Å
127L98.5Very high98.2Very high31 Ų3153 Ų5316%0.16229%0.285CS..Hα-helixtrans-55.9-57.7178-176.6159.9000111.2K97 T125 S129 N130 F131 E336K97-L127 HydrophobicContact CB-CD1 4.43Å; K97-L127 HydrophobicContact CB-CD2 4.28Å; K97-L127 HydrophobicContact CD-CD1 4.45Å; K97-L127 HydrophobicContact CD-CG 4.44Å; T125-L127 PolarHBondContact O-N 2.99Å; L127-S129 PolarHBondContact O-N 2.79Å; L127-N130 PolarHBondContact O-N 3.38Å; L127-F131 WeakPolarHBondContact O-CB 3.23Å; L127-F131 PolarHBondContact O-N 2.93Å; L127-E336 VanDerWaalsContact CA-OE2 3.26Å; L127-E336 WeakPolarHBondContact CA-OE2 3.21Å; L127-E336 WeakPolarHBondContact CB-OE2 3.24Å; L127-E336 HydrophobicContact CD1-CG 3.88Å; L127-E336 HydrophobicContact CG-CG 4.15Å; L127-E336 WeakPolarHBondContact CG-OE2 3.25Å
128V98.7Very high98.2Very high0 Ų057.3 Ų57.30%031%0.312CS..Hα-helixtrans-69.2-38-176.51770000111.5L100 L117 E119 T125 F131 L132L100-V128 HydrophobicContact CD1-CG2 4.05Å; L117-V128 HydrophobicContact CD2-CG1 3.51Å; L117-V128 HydrophobicContact CG-CG1 4.32Å; E119-V128 HydrophobicContact CG-CB 4.28Å; E119-V128 HydrophobicContact CG-CG1 4.12Å; E119-V128 HydrophobicContact CG-CG2 4.16Å; E119-V128 WeakPolarHBondContact OE2-CG2 3.44Å; T125-V128 PolarHBondContact O-N 2.92Å; T125-V128 WeakPolarHBondContact OG1-CG2 3.3Å; T125-V128 PolarHBondContact OG1-N 3Å; V128-F131 PolarHBondContact O-N 2.75Å; V128-L132 HydrophobicContact CG1-CD1 3.97Å; V128-L132 HydrophobicContact CG1-CG 4.25Å; V128-L132 WeakPolarHBondContact O-CB 3.31Å; V128-L132 WeakPolarHBondContact O-CG 3.34Å; V128-L132 PolarHBondContact O-N 2.93Å
129S98.6Very high98.2Very high31 Ų3161.2 Ų61.222%0.21733%0.327CS..Hα-helixtrans-59.9-50177-53.30000111.2T125 P126 L127 L132 M133 H141T125-S129 WeakPolarHBondContact O-CB 3.46Å; T125-S129 PolarHBondContact O-N 2.82Å; T125-S129 PolarHBondContact O-OG 3.38Å; P126-S129 PolarHBondContact O-N 3Å; L127-S129 PolarHBondContact O-N 2.79Å; S129-L132 PolarHBondContact O-N 2.92Å; S129-M133 VanDerWaalsContact O-CG 3.31Å; S129-M133 WeakPolarHBondContact O-CG 3.41Å; S129-M133 PolarHBondContact O-N 2.91Å; S129-M133 VanDerWaalsContact O-N 3.1Å; S129-H141 PolarHBondContact OG-CE1 3.03Å; S129-H141 VanDerWaalsContact OG-CE1 3.3Å
130N98.3Very high98.2Very high69 Ų6962 Ų6237%0.36933%0.332SS..Hα-helixtrans-66.9-37.7179.4-70.3-28.6000112.3P126 L127 M133 K134P126-N130 WeakPolarHBondContact O-CB 3.44Å; P126-N130 PolarHBondContact O-N 3.3Å; P126-N130 PolarHBondContact O-ND2 2.7Å; P126-N130 VanDerWaalsContact O-ND2 3.11Å; L127-N130 PolarHBondContact O-N 3.38Å; N130-M133 HydrophobicContact CB-CE 4.41Å; N130-M133 WeakPolarHBondContact OD1-CE 3.47Å; N130-K134 WeakPolarHBondContact O-CG 3.38Å; N130-K134 PolarHBondContact O-N 2.82Å
131F98.6Very high98.2Very high28 Ų2861.4 Ų61.412%0.12333%0.328CS..Hα-helixtrans-60.9-52.6175.8175-91.9000111.3L100 S104 W115 L127 V128 M133 K134 S135L100-F131 HydrophobicContact CB-CD1 4.25Å; L100-F131 HydrophobicContact CB-CE1 3.72Å; L100-F131 HydrophobicContact CB-CE2 4.28Å; L100-F131 HydrophobicContact CB-CZ 3.75Å; L100-F131 HydrophobicContact CD1-CD1 4.45Å; L100-F131 VanDerWaalsContact O-CZ 3.27Å; L100-F131 WeakPolarHBondContact O-CZ 3.42Å; S104-F131 WeakPolarHBondContact OG-CZ 3.45Å; W115-F131 AromaticContact CH2-CE1 3.87Å; W115-F131 HydrophobicContact CH2-CE1 3.87Å; W115-F131 AromaticContact CZ3-CE1 3.88Å; W115-F131 HydrophobicContact CZ3-CE1 3.88Å; L127-F131 WeakPolarHBondContact O-CB 3.23Å; L127-F131 PolarHBondContact O-N 2.93Å; V128-F131 PolarHBondContact O-N 2.75Å; F131-M133 PolarHBondContact O-N 2.96Å; F131-K134 PolarHBondContact O-N 3.03Å; F131-K134 VanDerWaalsContact O-N 3.16Å; F131-S135 PolarHBondContact O-N 2.98Å; F131-S135 VanDerWaalsContact O-N 3.07Å
132L98.6Very high98.3Very high1 Ų161.4 Ų61.41%0.00533%0.327CS..Hα-helixtrans-62.2-43.6-179.4-74.4174.2000112.1W115 L117 V128 S129 K134 S135 Y139 H141W115-L132 HydrophobicContact CD2-CD2 4.48Å; W115-L132 HydrophobicContact CE3-CD2 3.71Å; W115-L132 HydrophobicContact CH2-CD2 4.44Å; W115-L132 HydrophobicContact CZ3-CD2 3.69Å; L117-L132 HydrophobicContact CB-CD1 4.23Å; L117-L132 HydrophobicContact CB-CD2 4.37Å; L117-L132 HydrophobicContact CD2-CD1 3.98Å; L117-L132 HydrophobicContact CD2-CD2 3.8Å; L117-L132 HydrophobicContact CD2-CG 4Å; V128-L132 HydrophobicContact CG1-CD1 3.97Å; V128-L132 HydrophobicContact CG1-CG 4.25Å; V128-L132 WeakPolarHBondContact O-CB 3.31Å; V128-L132 WeakPolarHBondContact O-CG 3.34Å; V128-L132 PolarHBondContact O-N 2.93Å; S129-L132 PolarHBondContact O-N 2.92Å; L132-K134 PolarHBondContact O-N 2.91Å; L132-K134 VanDerWaalsContact O-N 3.15Å; L132-S135 WeakPolarHBondContact O-CB 3.39Å; L132-S135 PolarHBondContact O-N 3Å; L132-S135 PolarHBondContact O-OG 3.26Å; L132-Y139 HydrophobicContact CB-CD1 4.12Å; L132-Y139 HydrophobicContact CB-CD2 3.97Å; L132-Y139 HydrophobicContact CB-CE1 3.91Å; L132-Y139 HydrophobicContact CB-CE2 3.73Å; L132-Y139 HydrophobicContact CB-CG 4.18Å; L132-Y139 HydrophobicContact CD1-CD2 3.75Å; L132-Y139 HydrophobicContact CD1-CE2 3.98Å; L132-Y139 HydrophobicContact CD1-CG 4.37Å; L132-Y139 HydrophobicContact CD2-CD1 4.44Å; L132-Y139 HydrophobicContact CD2-CD2 4.3Å; L132-Y139 HydrophobicContact CD2-CG 4.07Å; L132-Y139 HydrophobicContact CG-CD2 4.25Å; L132-Y139 HydrophobicContact CG-CE2 4.42Å; L132-Y139 HydrophobicContact CG-CG 4.46Å; L132-Y139 VanDerWaalsContact O-CE1 3.26Å; L132-Y139 WeakPolarHBondContact O-CE1 3.12Å; L132-H141 HydrophobicContact CD1-CB 3.64Å
133M98.3Very high98.3Very high119 Ų11958.8 Ų58.859%0.58631%0.307SS*.Hα-helixtrans-56.5-31.6176.9-76.1-171.5-62.600112.9S129 N130 F131 Y139S129-M133 VanDerWaalsContact O-CG 3.31Å; S129-M133 WeakPolarHBondContact O-CG 3.41Å; S129-M133 PolarHBondContact O-N 2.91Å; S129-M133 VanDerWaalsContact O-N 3.1Å; N130-M133 HydrophobicContact CB-CE 4.41Å; N130-M133 WeakPolarHBondContact OD1-CE 3.47Å; F131-M133 PolarHBondContact O-N 2.96Å; M133-Y139 WeakPolarHBondContact CG-OH 3.26Å
134K97.6Very high98.4Very high178 Ų17851.7 Ų51.777%0.77428%0.284SS*.Hα-helixtrans-94.7-6.6-179.8-65.8175-176.5177.10113.5N130 F131 L132 G136N130-K134 WeakPolarHBondContact O-CG 3.38Å; N130-K134 PolarHBondContact O-N 2.82Å; F131-K134 PolarHBondContact O-N 3.03Å; F131-K134 VanDerWaalsContact O-N 3.16Å; L132-K134 PolarHBondContact O-N 2.91Å; L132-K134 VanDerWaalsContact O-N 3.15Å; K134-G136 VanDerWaalsContact C-N 3.35Å; K134-G136 PolarHBondContact O-N 3.42Å
135S97.6Very high98.3Very high14 Ų1450 Ų5010%0.09828%0.284CS..Hα-helixtrans-70.8-27-171.469.50000114.1F131 L132 L137F131-S135 PolarHBondContact O-N 2.98Å; F131-S135 VanDerWaalsContact O-N 3.07Å; L132-S135 WeakPolarHBondContact O-CB 3.39Å; L132-S135 PolarHBondContact O-N 3Å; L132-S135 PolarHBondContact O-OG 3.26Å; S135-L137 PolarHBondContact O-N 3.29Å; S135-L137 PolarHBondContact OG-N 3.05Å
136G97.1Very high98.1Very high70 Ų7049.4 Ų49.472%0.72228%0.28SS*.  trans75.55.3-17300000114.7K134K134-G136 VanDerWaalsContact C-N 3.35Å; K134-G136 PolarHBondContact O-N 3.42Å
137L98.3Very high97.7Very high21 Ų2147.3 Ų47.311%0.1127%0.27CS..SBendtrans-89.7154.5178.2-66.5167.2000111.5F107 L108 W115 S135 Y139F107-L137 HydrophobicContact CB-CD1 3.95Å; F107-L137 HydrophobicContact CB-CD2 3.84Å; F107-L137 HydrophobicContact CD2-CD1 4.45Å; L108-L137 HydrophobicContact CD2-CD2 3.85Å; L108-L137 HydrophobicContact CD2-CG 4.12Å; L108-L137 HydrophobicContact CG-CD2 3.99Å; L108-L137 HydrophobicContact CG-CG 4.28Å; W115-L137 HydrophobicContact CD2-CD1 4.44Å; W115-L137 HydrophobicContact CE3-CD1 3.47Å; W115-L137 VanDerWaalsContact CE3-CD1 3.47Å; W115-L137 HydrophobicContact CZ3-CD1 3.79Å; S135-L137 PolarHBondContact O-N 3.29Å; S135-L137 PolarHBondContact OG-N 3.05Å; L137-Y139 VanDerWaalsContact O-CD1 3.31Å; L137-Y139 WeakPolarHBondContact O-CD1 3.49Å
138T98.3Very high97Very high91 Ų9154.4 Ų54.456%0.55830%0.3SS*.EExtended strand (participates in β ladder)trans-75123.7160.8-56.30000108.1H114 W115H114-T138 WeakPolarHBondContact ND1-CG2 3.26Å; W115-T138 PolarHBondContact N-O 3.48Å
139Y98.7Very high96.3Very high82 Ų8262 Ų6232%0.32234%0.336SS..EExtended strand (participates in β ladder)trans-143.1158.1-17569.7-95.3000114.3W115 L132 M133 L137 H141W115-Y139 CarbonylContact O-C 3.56Å; W115-Y139 WeakPolarHBondContact O-CA 3.12Å; W115-Y139 VanDerWaalsContact O-CB 3.28Å; W115-Y139 WeakPolarHBondContact O-CB 3.36Å; L132-Y139 HydrophobicContact CB-CD1 4.12Å; L132-Y139 HydrophobicContact CB-CD2 3.97Å; L132-Y139 HydrophobicContact CB-CE1 3.91Å; L132-Y139 HydrophobicContact CB-CE2 3.73Å; L132-Y139 HydrophobicContact CB-CG 4.18Å; L132-Y139 HydrophobicContact CD1-CD2 3.75Å; L132-Y139 HydrophobicContact CD1-CE2 3.98Å; L132-Y139 HydrophobicContact CD1-CG 4.37Å; L132-Y139 HydrophobicContact CD2-CD1 4.44Å; L132-Y139 HydrophobicContact CD2-CD2 4.3Å; L132-Y139 HydrophobicContact CD2-CG 4.07Å; L132-Y139 HydrophobicContact CG-CD2 4.25Å; L132-Y139 HydrophobicContact CG-CE2 4.42Å; L132-Y139 HydrophobicContact CG-CG 4.46Å; L132-Y139 VanDerWaalsContact O-CE1 3.26Å; L132-Y139 WeakPolarHBondContact O-CE1 3.12Å; M133-Y139 WeakPolarHBondContact CG-OH 3.26Å; L137-Y139 VanDerWaalsContact O-CD1 3.31Å; L137-Y139 WeakPolarHBondContact O-CD1 3.49Å; Y139-H141 HydrophobicContact CD2-CB 4.27Å; Y139-H141 HydrophobicContact CE2-CB 4.25Å
140T98.8Very high95.5Very high19 Ų1965.5 Ų65.512%0.11734%0.344CS..EExtended strand (participates in β ladder)trans-118.4127160.4-61.90000108.3H114 W115 I116 L117 L142 W174H114-T140 PolarHBondContact NE2-N 2.91Å; H114-T140 PolarHBondContact NE2-OG1 3.36Å; W115-T140 PolarHBondContact O-N 3.26Å; I116-T140 WeakPolarHBondContact CA-O 3.47Å; L117-T140 PolarHBondContact N-O 3.37Å; T140-L142 HydrophobicContact CG2-CD1 4.37Å; T140-L142 HydrophobicContact CG2-CD2 3.71Å; T140-L142 HydrophobicContact CG2-CG 3.83Å; T140-W174 HydrophobicContact CG2-CD2 3.95Å; T140-W174 HydrophobicContact CG2-CG 4.38Å; T140-W174 HydrophobicContact CG2-CH2 4.41Å; T140-W174 HydrophobicContact CG2-CZ2 3.82Å; T140-W174 WeakPolarHBondContact OG1-CH2 3.45Å; T140-W174 WeakPolarHBondContact OG1-CZ2 3.46Å
141H98.8Very high94.7Very high19 Ų1965.9 Ų65.99%0.08834%0.342CS..EExtended strand (participates in β ladder)trans-100.5115.6175.7-174.4-170.6000110.1E119 K124 S129 L132 Y139E119-H141 IonicContact OE1-CD2 2.79Å; E119-H141 IonicContact OE1-CE1 2.78Å; E119-H141 PolarHBondContact OE1-CE1 2.84Å; E119-H141 IonicContact OE1-NE2 3.39Å; E119-H141 PolarHBondContact OE1-NE2 3.42Å; K124-H141 VanDerWaalsContact CB-CE1 3.47Å; K124-H141 WeakPolarHBondContact CB-CE1 3.34Å; K124-H141 WeakPolarHBondContact CE-O 3.16Å; K124-H141 PolarHBondContact NZ-O 3.37Å; S129-H141 PolarHBondContact OG-CE1 3.03Å; S129-H141 VanDerWaalsContact OG-CE1 3.3Å; L132-H141 HydrophobicContact CD1-CB 3.64Å; Y139-H141 HydrophobicContact CD2-CB 4.27Å; Y139-H141 HydrophobicContact CE2-CB 4.25Å
142L98.9Very high93.8Very high18 Ų1867.1 Ų67.19%0.09435%0.35CS..EExtended strand (participates in β ladder)trans-120.6167.8177.8-55.2176.2000110.7I116 L117 V118 E119 T140 E170 W174I116-L142 HydrophobicContact CG2-CD1 3.78Å; I116-L142 HydrophobicContact CG2-CG 4.45Å; L117-L142 PolarHBondContact O-N 2.89Å; V118-L142 WeakPolarHBondContact CA-O 3.37Å; V118-L142 HydrophobicContact CB-CB 4.37Å; V118-L142 HydrophobicContact CG1-CB 4Å; V118-L142 HydrophobicContact CG2-CB 4.07Å; V118-L142 HydrophobicContact CG2-CD1 4.17Å; E119-L142 PolarHBondContact N-O 3.14Å; T140-L142 HydrophobicContact CG2-CD1 4.37Å; T140-L142 HydrophobicContact CG2-CD2 3.71Å; T140-L142 HydrophobicContact CG2-CG 3.83Å; L142-E170 HydrophobicContact CB-CG 4.37Å; L142-E170 HydrophobicContact CD1-CG 4.26Å; L142-W174 HydrophobicContact CD1-CB 3.58Å; L142-W174 HydrophobicContact CD1-CG 3.86Å; L142-W174 HydrophobicContact CD2-CG 4.26Å
143N98.7Very high92.9Very high42 Ų4273.9 Ų73.923%0.22538%0.382CS..EExtended strand (participates in β ladder)trans-152.3141.6172.771.6-84.7000110.4E119 S121 P122 R123 K124E119-N143 HydrophobicContact CB-CB 4.12Å; E119-N143 CarbonylContact O-C 3.54Å; E119-N143 VanDerWaalsContact O-CA 3.31Å; E119-N143 WeakPolarHBondContact O-CA 3.13Å; S121-N143 PolarHBondContact O-ND2 3.03Å; P122-N143 PolarHBondContact O-ND2 3Å; R123-N143 WeakPolarHBondContact CA-ND2 3.36Å; R123-N143 PolarHBondContact N-ND2 3.26Å; K124-N143 HydrophobicContact CG-CB 4.33Å; K124-N143 WeakPolarHBondContact CG-OD1 3.44Å
144V98.3Very high91.7Very high33 Ų3377.2 Ų77.220%0.240%0.396CS..  trans-152.6126170.759.60000108.2V118 E119 D120 E166 Q167 E170V118-V144 HydrophobicContact CG1-CG1 4.11Å; E119-V144 PolarHBondContact O-N 2.97Å; D120-V144 WeakPolarHBondContact CA-O 3.32Å; V144-E166 HydrophobicContact CG1-CB 4.11Å; V144-E166 HydrophobicContact CG2-CB 4.38Å; V144-Q167 HydrophobicContact CG1-CB 4.34Å; V144-Q167 HydrophobicContact CG1-CG 3.88Å; V144-Q167 PolarHBondContact O-NE2 3.29Å; V144-E170 HydrophobicContact CB-CB 4.33Å; V144-E170 HydrophobicContact CB-CG 4.22Å; V144-E170 HydrophobicContact CG1-CB 3.68Å; V144-E170 HydrophobicContact CG1-CG 4Å
145P96.9Very high90.5Very high65 Ų6572.4 Ų72.442%0.42240%0.396SS..PPolyproline II helixtrans-76.2134.9178.630.4-32.7000110.7D120D120-P145 WeakPolarHBondContact OD1-CA 3.4Å
146T94.5Very high89.6Confident13 Ų1374 Ų748%0.0840%0.404CS..PPolyproline II helixtrans-70.8136.8164.2-65.50000109.2D120 R150 K151 E166 Q167D120-T146 PolarHBondContact OD1-N 3.39Å; T146-R150 HydrophobicContact CG2-CB 3.76Å; T146-K151 HydrophobicContact CG2-CG 4.14Å; T146-K151 WeakPolarHBondContact O-CE 3.45Å; T146-E166 WeakPolarHBondContact CG2-OE2 3.48Å; T146-E166 PolarHBondContact OG1-OE2 3.3Å; T146-Q167 PolarHBondContact OG1-NE2 2.9Å; T146-Q167 PolarHBondContact OG1-OE1 3.41Å
147A89.7Confident88.6Confident49 Ų4973.2 Ų73.241%0.40539%0.386SS..PPolyproline II helixtrans-56.6141.1178.300000111.3E149 R150 K151A147-E149 PolarHBondContact O-N 3.15Å; A147-E149 VanDerWaalsContact O-N 3.15Å; A147-R150 PolarHBondContact O-N 3.25Å; A147-K151 PolarHBondContact O-N 3.49Å
148K84.7Confident87.6Confident180 Ų18074.1 Ų74.178%0.78339%0.394SS*.G310 helixtrans-53.8-39.7-176.1-70.3-174.4179.6179.80112.5R150 K151K148-R150 PolarHBondContact O-N 3.13Å; K148-K151 PolarHBondContact O-N 2.89Å; K148-K151 VanDerWaalsContact O-N 3.09Å
149E83.5Confident86.4Confident161 Ų16178.2 Ų78.275%0.75240%0.399SS*.G310 helixtrans-60.4-29.4179.7-25.3-59.6174.700112.5A147 K161A147-E149 PolarHBondContact O-N 3.15Å; A147-E149 VanDerWaalsContact O-N 3.15Å; E149-K161 PolarHBondContact O-NZ 3.25Å
150R81.1Confident85.4Confident103 Ų10378.1 Ų78.139%0.38940%0.404SS..G310 helixtrans-93.8-6.3-178.6-65.8-175.9177.6161.70.5113.3T146 A147 K148 K161 E166 E276T146-R150 HydrophobicContact CG2-CB 3.76Å; A147-R150 PolarHBondContact O-N 3.25Å; K148-R150 PolarHBondContact O-N 3.13Å; R150-K161 VanDerWaalsContact O-CD 3.23Å; R150-K161 WeakPolarHBondContact O-CD 3.31Å; R150-E166 WeakPolarHBondContact CD-OE1 3.28Å; R150-E166 IonicContact CZ-OE1 3.91Å; R150-E166 IonicContact NH1-OE1 2.92Å; R150-E166 PolarHBondContact NH1-OE1 3.35Å; R150-E276 IonicContact CZ-OE1 3.31Å; R150-E276 VanDerWaalsContact CZ-OE1 3.31Å; R150-E276 IonicContact NE-OE1 3.26Å; R150-E276 PolarHBondContact NE-OE1 3.04Å; R150-E276 IonicContact NH2-OE1 2.67Å; R150-E276 PolarHBondContact NH2-OE1 2.78Å
151K82.7Confident84.5Confident78 Ų7879.6 Ų79.634%0.33941%0.409SS..SBendtrans-77.8146.6173.7-63.7-162.8180-146.40110.9D120 T146 A147 K148 K161D120-K151 IonicContact OD1-NZ 2.78Å; D120-K151 PolarHBondContact OD1-NZ 2.65Å; D120-K151 WeakPolarHBondContact OD2-CE 3.47Å; D120-K151 IonicContact OD2-NZ 2.82Å; D120-K151 PolarHBondContact OD2-NZ 3.27Å; T146-K151 HydrophobicContact CG2-CG 4.14Å; T146-K151 WeakPolarHBondContact O-CE 3.45Å; A147-K151 PolarHBondContact O-N 3.49Å; K148-K151 PolarHBondContact O-N 2.89Å; K148-K151 VanDerWaalsContact O-N 3.09Å; K151-K161 PolarHBondContact O-NZ 3.35Å
152L79.3Confident83.7Confident54 Ų5481.5 Ų81.528%0.28342%0.423SS..PPolyproline II helixtrans-66.7136.6168.9-67.8171.1000109D156 L160 K161 R163L152-D156 HydrophobicContact CB-CB 4.19Å; L152-D156 HydrophobicContact CD2-CB 3.81Å; L152-L160 HydrophobicContact CD2-CB 3.85Å; L152-K161 HydrophobicContact CD2-CB 3.88Å; L152-K161 HydrophobicContact CD2-CD 4.43Å; L152-K161 HydrophobicContact CD2-CG 3.99Å; L152-K161 HydrophobicContact CG-CB 4.38Å; L152-R163 HydrophobicContact CD1-CG 4.48Å
153Q78.6Confident83.2Confident143 Ų14385.4 Ų85.467%0.66844%0.436SS*.PPolyproline II helixtrans-86.6165.2171.4-62-173.4-4.700110.6G155 D156Q153-G155 PolarHBondContact O-N 3.49Å; Q153-D156 PolarHBondContact N-OD2 3.29Å; Q153-D156 WeakPolarHBondContact O-CB 3.38Å; Q153-D156 PolarHBondContact O-N 2.99Å
154E74Confident83Confident189 Ų18983.9 Ų83.988%0.88343%0.43SS*.THydrogen-bonded Turntrans-63.5125.7175.9-174.7165.4-156.400110.4
155G72Confident82.9Confident76 Ų7682.5 Ų82.578%0.78442%0.422SS*.THydrogen-bonded Turntrans92.6-11.8-174.900000114.5Q153Q153-G155 PolarHBondContact O-N 3.49Å
156D78.7Confident82.9Confident48 Ų4881 Ų8126%0.25741%0.41SS..  trans-63137.4174.9-78.4-11.7000110.6L152 Q153 S158 L160L152-D156 HydrophobicContact CB-CB 4.19Å; L152-D156 HydrophobicContact CD2-CB 3.81Å; Q153-D156 PolarHBondContact N-OD2 3.29Å; Q153-D156 WeakPolarHBondContact O-CB 3.38Å; Q153-D156 PolarHBondContact O-N 2.99Å; D156-S158 PolarHBondContact O-N 2.92Å; D156-L160 HydrophobicContact CB-CD2 4.08Å
157P77.2Confident83.1Confident54 Ų5480.5 Ų80.535%0.35141%0.406SS..  trans-59.2134.9169.6-19.730.3000110.6W159 L160P157-W159 HydrophobicContact CB-CD2 3.69Å; P157-W159 HydrophobicContact CB-CE3 4.11Å; P157-W159 HydrophobicContact CB-CG 4.28Å; P157-W159 HydrophobicContact CB-CH2 3.88Å; P157-W159 HydrophobicContact CB-CZ2 3.43Å; P157-W159 VanDerWaalsContact CB-CZ2 3.43Å; P157-W159 HydrophobicContact CB-CZ3 4.19Å; P157-W159 HydrophobicContact CG-CZ2 4.16Å; P157-W159 PolarHBondContact O-N 3.4Å; P157-L160 VanDerWaalsContact O-CB 3.25Å; P157-L160 WeakPolarHBondContact O-CB 3.32Å; P157-L160 PolarHBondContact O-N 2.86Å
158S75.6Confident83.5Confident40 Ų4078.5 Ų78.528%0.2839%0.388SS..THydrogen-bonded Turntrans-59-14.8-175.660.60000115.8D156 R312D156-S158 PolarHBondContact O-N 2.92Å; S158-R312 PolarHBondContact OG-NH1 3.43Å; S158-R312 PolarHBondContact OG-NH2 2.9Å
159W74.1Confident84.2Confident176 Ų17671.8 Ų71.867%0.66736%0.361SS*.THydrogen-bonded Turntrans-94.8-2.817855.983.9000113.8P157 M279P157-W159 HydrophobicContact CB-CD2 3.69Å; P157-W159 HydrophobicContact CB-CE3 4.11Å; P157-W159 HydrophobicContact CB-CG 4.28Å; P157-W159 HydrophobicContact CB-CH2 3.88Å; P157-W159 HydrophobicContact CB-CZ2 3.43Å; P157-W159 VanDerWaalsContact CB-CZ2 3.43Å; P157-W159 HydrophobicContact CB-CZ3 4.19Å; P157-W159 HydrophobicContact CG-CZ2 4.16Å; P157-W159 PolarHBondContact O-N 3.4Å; W159-M279 WeakPolarHBondContact O-CE 3.37Å
160L77Confident84.9Confident80 Ų8065.8 Ų65.842%0.41933%0.333SS..SBendtrans-67.8-40-170.9-17864.6000113.1L152 D156 P157L152-L160 HydrophobicContact CD2-CB 3.85Å; D156-L160 HydrophobicContact CB-CD2 4.08Å; P157-L160 VanDerWaalsContact O-CB 3.25Å; P157-L160 WeakPolarHBondContact O-CB 3.32Å; P157-L160 PolarHBondContact O-N 2.86Å
161K80.6Confident85.7Confident51 Ų5160.9 Ų60.922%0.22231%0.314CS..SBendtrans-126.4138-177.9-60.1-174.5-172.7175.60110E149 R150 K151 L152E149-K161 PolarHBondContact O-NZ 3.25Å; R150-K161 VanDerWaalsContact O-CD 3.23Å; R150-K161 WeakPolarHBondContact O-CD 3.31Å; K151-K161 PolarHBondContact O-NZ 3.35Å; L152-K161 HydrophobicContact CD2-CB 3.88Å; L152-K161 HydrophobicContact CD2-CD 4.43Å; L152-K161 HydrophobicContact CD2-CG 3.99Å; L152-K161 HydrophobicContact CG-CB 4.38Å
162P81.4Confident86.5Confident58 Ų5857.3 Ų57.338%0.37730%0.299SS..  trans-63.7141.6175.129.2-34.2000109.5V165 L282P162-V165 HydrophobicContact CB-CG2 3.74Å; P162-V165 HydrophobicContact CG-CG2 4.08Å; P162-L282 HydrophobicContact CB-CD2 4.17Å
163R88.1Confident87.3Confident100 Ų10059.2 Ų59.238%0.37730%0.302SS..  trans-115.9148.1-175.9-57.2174.966.8-148.50.6109.1Y91 L152 V165 R168Y91-R163 PolarHBondContact OH-NH2 3.1Å; L152-R163 HydrophobicContact CD1-CG 4.48Å; R163-V165 VanDerWaalsContact C-N 3.28Å; R163-V165 PolarHBondContact O-N 3.31Å; R163-R168 PolarHBondContact O-NH1 2.65Å
164G94.5Very high88.2Confident10 Ų1054.3 Ų54.310%0.10328%0.278CS..SBendtrans77.78.1175.200000114.6Q167 R168G164-Q167 PolarHBondContact O-N 3.48Å; G164-R168 VanDerWaalsContact C-NH1 3.32Å; G164-R168 WeakPolarHBondContact O-CB 3.48Å; G164-R168 VanDerWaalsContact O-CG 3.29Å; G164-R168 WeakPolarHBondContact O-CG 3.49Å; G164-R168 PolarHBondContact O-N 2.96Å; G164-R168 PolarHBondContact O-NH1 2.75Å
165V96.1Very high89.3Confident4 Ų445.3 Ų45.32%0.02424%0.236CC..Hα-helixtrans-66.2-55-172.7-1770000110.9P162 R163 Q167 R168 N169 F273 L282P162-V165 HydrophobicContact CB-CG2 3.74Å; P162-V165 HydrophobicContact CG-CG2 4.08Å; R163-V165 VanDerWaalsContact C-N 3.28Å; R163-V165 PolarHBondContact O-N 3.31Å; V165-Q167 PolarHBondContact O-N 2.68Å; V165-R168 PolarHBondContact O-N 3.07Å; V165-N169 PolarHBondContact O-N 2.93Å; V165-F273 HydrophobicContact CG1-CB 3.86Å; V165-L282 HydrophobicContact CG1-CD1 4.24Å; V165-L282 HydrophobicContact CG2-CD1 3.86Å; V165-L282 HydrophobicContact CG2-CD2 3.93Å
166E97.1Very high90.4Very high34 Ų3443.1 Ų43.116%0.15920%0.204CC..Hα-helixtrans-59.3-37.6178.7-65.881.3-174.500110.9V144 T146 R150 N169 E170V144-E166 HydrophobicContact CG1-CB 4.11Å; V144-E166 HydrophobicContact CG2-CB 4.38Å; T146-E166 WeakPolarHBondContact CG2-OE2 3.48Å; T146-E166 PolarHBondContact OG1-OE2 3.3Å; R150-E166 WeakPolarHBondContact CD-OE1 3.28Å; R150-E166 IonicContact CZ-OE1 3.91Å; R150-E166 IonicContact NH1-OE1 2.92Å; R150-E166 PolarHBondContact NH1-OE1 3.35Å; E166-N169 PolarHBondContact O-N 3.33Å; E166-E170 VanDerWaalsContact O-CB 3.28Å; E166-E170 WeakPolarHBondContact O-CB 3.37Å; E166-E170 PolarHBondContact O-N 3.28Å
167Q98.6Very high91Very high2 Ų245.2 Ų45.21%0.00921%0.212CC..Hα-helixtrans-69.5-41.5-178.8-65.375.330.700112.3P89 V118 D120 V144 T146 G164 V165 E170 G171P89-Q167 HydrophobicContact CB-CB 3.71Å; P89-Q167 HydrophobicContact CB-CG 4.42Å; V118-Q167 HydrophobicContact CB-CB 3.91Å; V118-Q167 HydrophobicContact CB-CG 4.44Å; V118-Q167 HydrophobicContact CG1-CB 3.67Å; V118-Q167 HydrophobicContact CG1-CG 3.94Å; D120-Q167 HydrophobicContact CB-CG 4.27Å; V144-Q167 HydrophobicContact CG1-CB 4.34Å; V144-Q167 HydrophobicContact CG1-CG 3.88Å; V144-Q167 PolarHBondContact O-NE2 3.29Å; T146-Q167 PolarHBondContact OG1-NE2 2.9Å; T146-Q167 PolarHBondContact OG1-OE1 3.41Å; G164-Q167 PolarHBondContact O-N 3.48Å; V165-Q167 PolarHBondContact O-N 2.68Å; Q167-E170 PolarHBondContact O-N 3.38Å; Q167-G171 PolarHBondContact O-N 3.44Å
168R98.6Very high91.6Very high7 Ų745.1 Ų45.13%0.02621%0.209CC..Hα-helixtrans-65.4-41.8174-70.7-176.6-159.694.5-3.9111.4I87 P89 R163 G164 V165 E170 G171 L172 F194 D196 F273I87-R168 HydrophobicContact CG2-CG 4.44Å; P89-R168 HydrophobicContact CG-CG 4.3Å; R163-R168 PolarHBondContact O-NH1 2.65Å; G164-R168 VanDerWaalsContact C-NH1 3.32Å; G164-R168 WeakPolarHBondContact O-CB 3.48Å; G164-R168 VanDerWaalsContact O-CG 3.29Å; G164-R168 WeakPolarHBondContact O-CG 3.49Å; G164-R168 PolarHBondContact O-N 2.96Å; G164-R168 PolarHBondContact O-NH1 2.75Å; V165-R168 PolarHBondContact O-N 3.07Å; R168-E170 VanDerWaalsContact C-N 3.32Å; R168-E170 PolarHBondContact O-N 3.06Å; R168-G171 PolarHBondContact O-N 3.36Å; R168-L172 PolarHBondContact O-N 3.46Å; R168-F194 HydrophobicContact CB-CD1 4.16Å; R168-F194 HydrophobicContact CB-CE1 4.21Å; R168-F194 HydrophobicContact CG-CD1 3.95Å; R168-D196 IonicContact CZ-OD1 2.76Å; R168-D196 IonicContact NE-OD1 3.9Å; R168-D196 VanDerWaalsContact NH2-CG 3.25Å; R168-D196 IonicContact NH2-OD1 3.7Å; R168-D196 PolarHBondContact NH2-OD1 2.83Å; R168-D196 IonicContact NH2-OD2 2.96Å; R168-D196 PolarHBondContact NH2-OD2 3.08Å; R168-F273 HydrophobicContact CB-CD2 3.65Å; R168-F273 HydrophobicContact CB-CE2 3.62Å; R168-F273 HydrophobicContact CG-CE2 4.26Å
169N98.5Very high92.1Very high39 Ų3945.1 Ų45.121%0.20920%0.203CC..Hα-helixtrans-64.8-35.8175.9-75.3-18.4000112.4V165 E166 L172 R173 F273V165-N169 PolarHBondContact O-N 2.93Å; E166-N169 PolarHBondContact O-N 3.33Å; N169-L172 WeakPolarHBondContact O-CB 3.3Å; N169-L172 PolarHBondContact O-N 3Å; N169-R173 WeakPolarHBondContact O-CB 3.32Å; N169-R173 PolarHBondContact O-N 3.03Å; N169-F273 PolarHBondContact ND2-O 3.23Å; N169-F273 WeakPolarHBondContact OD1-CB 3.15Å; N169-F273 PolarHBondContact OD1-N 3.11Å
170E98.7Very high92.2Very high36 Ų3644.7 Ų44.717%0.16821%0.205CC..Hα-helixtrans-65.9-39.1174.1178.260.9-167.200112V118 L142 V144 E166 Q167 R168 R173 W174V118-E170 HydrophobicContact CG1-CB 4.18Å; V118-E170 HydrophobicContact CG1-CG 4.08Å; L142-E170 HydrophobicContact CB-CG 4.37Å; L142-E170 HydrophobicContact CD1-CG 4.26Å; V144-E170 HydrophobicContact CB-CB 4.33Å; V144-E170 HydrophobicContact CB-CG 4.22Å; V144-E170 HydrophobicContact CG1-CB 3.68Å; V144-E170 HydrophobicContact CG1-CG 4Å; E166-E170 VanDerWaalsContact O-CB 3.28Å; E166-E170 WeakPolarHBondContact O-CB 3.37Å; E166-E170 PolarHBondContact O-N 3.28Å; Q167-E170 PolarHBondContact O-N 3.38Å; R168-E170 VanDerWaalsContact C-N 3.32Å; R168-E170 PolarHBondContact O-N 3.06Å; E170-R173 PolarHBondContact O-N 2.73Å; E170-R173 IonicContact OE1-CZ 3.64Å; E170-R173 IonicContact OE1-NE 2.66Å; E170-R173 PolarHBondContact OE1-NE 2.81Å; E170-R173 IonicContact OE1-NH2 3.41Å; E170-R173 PolarHBondContact OE1-NH2 2.86Å; E170-R173 IonicContact OE2-CZ 2.98Å; E170-R173 IonicContact OE2-NE 3.64Å; E170-R173 PolarHBondContact OE2-NE 2.65Å; E170-R173 IonicContact OE2-NH2 3.61Å; E170-W174 WeakPolarHBondContact O-CB 3.33Å; E170-W174 PolarHBondContact O-N 3Å
171G98.6Very high91.6Very high0 Ų046.2 Ų46.20%022%0.218CC..Hα-helixtrans-61.7-42.4170.500000112.9Q167 R168 W174 L175Q167-G171 PolarHBondContact O-N 3.44Å; R168-G171 PolarHBondContact O-N 3.36Å; G171-W174 PolarHBondContact O-N 3.21Å; G171-L175 WeakPolarHBondContact O-CG 3.35Å; G171-L175 PolarHBondContact O-N 3.26Å
172L98.4Very high90.9Very high2 Ų247.6 Ų47.61%0.0123%0.225CC..Hα-helixtrans-64.1-43.6174.5-75.6174000112.4I87 R168 N169 L175 R176 F194 V265 F273 L286I87-L172 HydrophobicContact CD1-CD2 4.37Å; I87-L172 HydrophobicContact CD1-CG 4.36Å; R168-L172 PolarHBondContact O-N 3.46Å; N169-L172 WeakPolarHBondContact O-CB 3.3Å; N169-L172 PolarHBondContact O-N 3Å; L172-L175 PolarHBondContact O-N 2.9Å; L172-R176 WeakPolarHBondContact O-CD 3.47Å; L172-R176 VanDerWaalsContact O-CG 3.29Å; L172-R176 WeakPolarHBondContact O-CG 3.25Å; L172-R176 PolarHBondContact O-N 2.8Å; L172-F194 HydrophobicContact CD1-CE1 4.41Å; L172-F194 HydrophobicContact CD1-CZ 4.12Å; L172-F194 HydrophobicContact CD2-CE1 4.38Å; L172-F194 HydrophobicContact CD2-CZ 3.92Å; L172-F194 HydrophobicContact CG-CE1 4.17Å; L172-F194 HydrophobicContact CG-CZ 4.08Å; L172-V265 HydrophobicContact CD2-CG1 3.58Å; L172-V265 HydrophobicContact CD2-CG2 4.38Å; L172-F273 HydrophobicContact CD1-CD2 4.31Å; L172-F273 HydrophobicContact CD1-CE2 4.29Å; L172-L286 HydrophobicContact CD1-CD1 4.21Å
173R97.9Very high89.5Confident95 Ų9551.1 Ų51.136%0.35825%0.248SC..Hα-helixtrans-58.3-50.6175.6-176.1-164.368.976.47.1110.3N169 E170 L175 R176 E177N169-R173 WeakPolarHBondContact O-CB 3.32Å; N169-R173 PolarHBondContact O-N 3.03Å; E170-R173 PolarHBondContact O-N 2.73Å; E170-R173 IonicContact OE1-CZ 3.64Å; E170-R173 IonicContact OE1-NE 2.66Å; E170-R173 PolarHBondContact OE1-NE 2.81Å; E170-R173 IonicContact OE1-NH2 3.41Å; E170-R173 PolarHBondContact OE1-NH2 2.86Å; E170-R173 IonicContact OE2-CZ 2.98Å; E170-R173 IonicContact OE2-NE 3.64Å; E170-R173 PolarHBondContact OE2-NE 2.65Å; E170-R173 IonicContact OE2-NH2 3.61Å; R173-L175 PolarHBondContact O-N 3.21Å; R173-R176 PolarHBondContact O-N 2.94Å; R173-E177 IonicContact CZ-OE1 3.35Å; R173-E177 IonicContact CZ-OE2 3.08Å; R173-E177 IonicContact NH1-OE1 3.79Å; R173-E177 PolarHBondContact NH1-OE1 3.34Å; R173-E177 IonicContact NH1-OE2 2.65Å; R173-E177 PolarHBondContact NH1-OE2 2.9Å; R173-E177 PolarHBondContact O-N 3.26Å
174W97.6Very high88.2Confident39 Ų3948.3 Ų48.315%0.14825%0.25CS..Hα-helixtrans-58.6-46.9178.1177.381000111.8H114 I116 T140 L142 E170 G171 R176 E177 D178H114-W174 AromaticContact NE2-CH2 3.72Å; I116-W174 HydrophobicContact CD1-CE3 3.69Å; I116-W174 HydrophobicContact CD1-CZ3 3.56Å; I116-W174 HydrophobicContact CG1-CE3 4.09Å; I116-W174 HydrophobicContact CG1-CZ3 3.85Å; I116-W174 HydrophobicContact CG2-CE3 4.46Å; T140-W174 HydrophobicContact CG2-CD2 3.95Å; T140-W174 HydrophobicContact CG2-CG 4.38Å; T140-W174 HydrophobicContact CG2-CH2 4.41Å; T140-W174 HydrophobicContact CG2-CZ2 3.82Å; T140-W174 WeakPolarHBondContact OG1-CH2 3.45Å; T140-W174 WeakPolarHBondContact OG1-CZ2 3.46Å; L142-W174 HydrophobicContact CD1-CB 3.58Å; L142-W174 HydrophobicContact CD1-CG 3.86Å; L142-W174 HydrophobicContact CD2-CG 4.26Å; E170-W174 WeakPolarHBondContact O-CB 3.33Å; E170-W174 PolarHBondContact O-N 3Å; G171-W174 PolarHBondContact O-N 3.21Å; W174-R176 VanDerWaalsContact C-N 3.3Å; W174-R176 PolarHBondContact O-N 2.92Å; W174-E177 PolarHBondContact O-N 2.73Å; W174-D178 HydrophobicContact CD2-CB 4.28Å; W174-D178 HydrophobicContact CE3-CB 4.48Å; W174-D178 HydrophobicContact CH2-CB 4.08Å; W174-D178 HydrophobicContact CZ2-CB 3.87Å; W174-D178 WeakPolarHBondContact CZ2-OD1 3.34Å; W174-D178 HydrophobicContact CZ3-CB 4.39Å; W174-D178 VanDerWaalsContact O-CB 3.29Å; W174-D178 WeakPolarHBondContact O-CB 3.43Å; W174-D178 PolarHBondContact O-N 2.9Å
175L95.5Very high86.7Confident0 Ų052.6 Ų52.60%027%0.271CS..Hα-helixtrans-57.4-42.5177.1-82.4172.8000112.7F85 I87 I116 G171 L172 R173 E177 R179 V192 L262F85-L175 HydrophobicContact CB-CD1 4.33Å; F85-L175 HydrophobicContact CB-CD2 4.1Å; F85-L175 HydrophobicContact CD1-CD2 3.59Å; F85-L175 HydrophobicContact CD2-CD2 4.37Å; F85-L175 HydrophobicContact CE1-CD2 4.07Å; F85-L175 HydrophobicContact CG-CD2 3.75Å; I87-L175 HydrophobicContact CD1-CD1 3.89Å; I116-L175 HydrophobicContact CD1-CD1 3.98Å; I116-L175 HydrophobicContact CD1-CD2 3.78Å; I116-L175 HydrophobicContact CD1-CG 3.71Å; G171-L175 WeakPolarHBondContact O-CG 3.35Å; G171-L175 PolarHBondContact O-N 3.26Å; L172-L175 PolarHBondContact O-N 2.9Å; R173-L175 PolarHBondContact O-N 3.21Å; L175-E177 VanDerWaalsContact C-N 3.27Å; L175-E177 PolarHBondContact O-N 2.87Å; L175-R179 WeakPolarHBondContact O-CB 3.26Å; L175-R179 WeakPolarHBondContact O-CG 3.3Å; L175-R179 PolarHBondContact O-N 3.29Å; L175-V192 HydrophobicContact CD1-CB 4.49Å; L175-V192 HydrophobicContact CD1-CG1 3.93Å; L175-V192 HydrophobicContact CD1-CG2 3.7Å; L175-L262 HydrophobicContact CD2-CD1 4.32Å
176R94.9Very high85.1Confident31 Ų3158.3 Ų58.312%0.11730%0.301CS..Hα-helixtrans-65.4-30.8177.6-72.3165.5174.7154.5-1.2112.5L172 R173 W174 K180 V265 L266 N268 P269 A271L172-R176 WeakPolarHBondContact O-CD 3.47Å; L172-R176 VanDerWaalsContact O-CG 3.29Å; L172-R176 WeakPolarHBondContact O-CG 3.25Å; L172-R176 PolarHBondContact O-N 2.8Å; R173-R176 PolarHBondContact O-N 2.94Å; W174-R176 VanDerWaalsContact C-N 3.3Å; W174-R176 PolarHBondContact O-N 2.92Å; R176-K180 WeakPolarHBondContact O-CB 3.17Å; R176-K180 WeakPolarHBondContact O-CD 3.49Å; R176-K180 WeakPolarHBondContact O-CE 3.48Å; R176-K180 WeakPolarHBondContact O-CG 3.47Å; R176-V265 PolarHBondContact NE-O 2.97Å; R176-L266 HydrophobicContact CB-CD2 4.49Å; R176-L266 HydrophobicContact CG-CD2 4.16Å; R176-N268 PolarHBondContact NH2-O 3.19Å; R176-P269 PolarHBondContact NH1-O 3.34Å; R176-P269 PolarHBondContact NH2-O 3.03Å; R176-A271 PolarHBondContact NH2-O 2.61Å
177E92.9Very high83.4Confident92 Ų9257.3 Ų57.343%0.4330%0.3SS..Hα-helixtrans-81.5-45.8176.8-72.3171.9-168.800112.2R173 W174 L175 R179 K180R173-E177 IonicContact CZ-OE1 3.35Å; R173-E177 IonicContact CZ-OE2 3.08Å; R173-E177 IonicContact NH1-OE1 3.79Å; R173-E177 PolarHBondContact NH1-OE1 3.34Å; R173-E177 IonicContact NH1-OE2 2.65Å; R173-E177 PolarHBondContact NH1-OE2 2.9Å; R173-E177 PolarHBondContact O-N 3.26Å; W174-E177 PolarHBondContact O-N 2.73Å; L175-E177 VanDerWaalsContact C-N 3.27Å; L175-E177 PolarHBondContact O-N 2.87Å; E177-R179 VanDerWaalsContact C-N 3.33Å; E177-R179 PolarHBondContact O-N 3.47Å; E177-K180 PolarHBondContact O-N 3.21Å
178D89.2Confident82Confident52 Ų5260.5 Ų60.528%0.27831%0.314SS..Hα-helixtrans-58-43.5178.9-175.370.2000111.6W174 T181W174-D178 HydrophobicContact CD2-CB 4.28Å; W174-D178 HydrophobicContact CE3-CB 4.48Å; W174-D178 HydrophobicContact CH2-CB 4.08Å; W174-D178 HydrophobicContact CZ2-CB 3.87Å; W174-D178 WeakPolarHBondContact CZ2-OD1 3.34Å; W174-D178 HydrophobicContact CZ3-CB 4.39Å; W174-D178 VanDerWaalsContact O-CB 3.29Å; W174-D178 WeakPolarHBondContact O-CB 3.43Å; W174-D178 PolarHBondContact O-N 2.9Å; D178-T181 PolarHBondContact O-OG1 2.92Å
179R85.7Confident81.3Confident40 Ų4063.9 Ų63.915%0.15133%0.331CS..G310 helixtrans-89.2-9.3-176.2-57.9-69.6149.1-168.9-9.3114.5L175 E177 T181 E182 G187 L262 L266L175-R179 WeakPolarHBondContact O-CB 3.26Å; L175-R179 WeakPolarHBondContact O-CG 3.3Å; L175-R179 PolarHBondContact O-N 3.29Å; E177-R179 VanDerWaalsContact C-N 3.33Å; E177-R179 PolarHBondContact O-N 3.47Å; R179-T181 PolarHBondContact O-N 2.83Å; R179-E182 IonicContact CZ-OE2 3.42Å; R179-E182 IonicContact NH1-OE1 2.74Å; R179-E182 PolarHBondContact NH1-OE1 3.27Å; R179-E182 VanDerWaalsContact NH1-OE1 3.16Å; R179-E182 IonicContact NH1-OE2 3.8Å; R179-E182 PolarHBondContact NH1-OE2 3.28Å; R179-E182 PolarHBondContact O-N 3.36Å; R179-G187 WeakPolarHBondContact CD-O 3.27Å; R179-L262 HydrophobicContact CG-CD1 4.46Å; R179-L262 HydrophobicContact CG-CD2 4.16Å; R179-L266 HydrophobicContact CB-CD1 3.77Å; R179-L266 HydrophobicContact CB-CD2 3.99Å; R179-L266 HydrophobicContact CG-CD1 4.42Å
180K75.7Confident81Confident166 Ų16662.3 Ų62.372%0.72232%0.324SS*.G310 helixtrans-61.8-26.8176.5-100.8168.7-166.7178.20112.6R176 E177R176-K180 WeakPolarHBondContact O-CB 3.17Å; R176-K180 WeakPolarHBondContact O-CD 3.49Å; R176-K180 WeakPolarHBondContact O-CE 3.48Å; R176-K180 WeakPolarHBondContact O-CG 3.47Å; E177-K180 PolarHBondContact O-N 3.21Å
181T65.4Low81Confident112 Ų11260.7 Ų60.769%0.68732%0.316SS*.G310 helixtrans-98.6-0.3-172.652.70000113.8D178 R179 P183D178-T181 PolarHBondContact O-OG1 2.92Å; R179-T181 PolarHBondContact O-N 2.83Å; T181-P183 WeakPolarHBondContact O-CD 3.33Å
182E65.3Low81Confident80 Ų8060.7 Ų60.737%0.37432%0.316SS..  trans-100.291.7175.9-70-169.8172.300110.7R179 G184 G187R179-E182 IonicContact CZ-OE2 3.42Å; R179-E182 IonicContact NH1-OE1 2.74Å; R179-E182 PolarHBondContact NH1-OE1 3.27Å; R179-E182 VanDerWaalsContact NH1-OE1 3.16Å; R179-E182 IonicContact NH1-OE2 3.8Å; R179-E182 PolarHBondContact NH1-OE2 3.28Å; R179-E182 PolarHBondContact O-N 3.36Å; E182-G184 PolarHBondContact O-N 2.59Å; E182-G187 WeakPolarHBondContact OE2-CA 3.42Å
183P51.8Low81Confident133 Ų13360.6 Ų60.686%0.86432%0.316SS*.  trans-72.9112.6177.427.8-33.5000110.8T181T181-P183 WeakPolarHBondContact O-CD 3.33Å
184G61.3Low81.1Confident40 Ų4056.1 Ų56.141%0.41230%0.299SS..SBendtrans152.2158.3172.300000113.1E182 D186 G187E182-G184 PolarHBondContact O-N 2.59Å; G184-D186 PolarHBondContact O-N 3.33Å; G184-G187 PolarHBondContact O-N 3.4Å
185D62.2Low81.1Confident100 Ų10054.2 Ų54.254%0.53529%0.292SS..SBendtrans-66.4-21.5178.4-14014000111.5Q189 R263D185-Q189 WeakPolarHBondContact O-CG 3.36Å; D185-Q189 PolarHBondContact O-NE2 3.35Å; D185-R263 IonicContact OD1-NH1 3.54Å; D185-R263 PolarHBondContact OD1-NH1 2.96Å
186D62.4Low81.3Confident125 Ų12555.9 Ų55.967%0.66830%0.301SS*.SBendtrans-77.6-34.8177.5-67.9-21.5000113.1G184 Q188 Q189G184-D186 PolarHBondContact O-N 3.33Å; D186-Q188 PolarHBondContact O-N 3.1Å; D186-Q189 PolarHBondContact O-N 2.86Å; D186-Q189 PolarHBondContact OD1-NE2 3.05Å
187G61.8Low81.4Confident12 Ų1255 Ų5512%0.12430%0.298CS..THydrogen-bonded Turntrans-70.5-11.8176.300000113.7R179 E182 G184R179-G187 WeakPolarHBondContact CD-O 3.27Å; E182-G187 WeakPolarHBondContact OE2-CA 3.42Å; G184-G187 PolarHBondContact O-N 3.4Å
188Q68.7Low81.7Confident69 Ų6951.7 Ų51.732%0.32228%0.283SS..THydrogen-bonded Turntrans-106.2-1.5177.5-58-175.96.600112.7D186 G190 R263 L266D186-Q188 PolarHBondContact O-N 3.1Å; Q188-G190 PolarHBondContact O-N 3.1Å; Q188-R263 HydrophobicContact CB-CB 4.47Å; Q188-R263 PolarHBondContact O-N 3.24Å; Q188-L266 HydrophobicContact CB-CD1 4.36Å; Q188-L266 HydrophobicContact CG-CD1 4Å
189Q84.2Confident82.1Confident79 Ų7949.3 Ų49.337%0.36927%0.271SS..  trans-81.3116.4174.9-81.4169.850.700110.4D185 D186D185-Q189 WeakPolarHBondContact O-CG 3.36Å; D185-Q189 PolarHBondContact O-NE2 3.35Å; D186-Q189 PolarHBondContact O-N 2.86Å; D186-Q189 PolarHBondContact OD1-NE2 3.05Å
190G93.9Very high82.7Confident6 Ų650.1 Ų50.16%0.06228%0.28CS..EExtended strand (participates in β ladder)trans172.8172.8179.200000111.7T83 Q188 L262T83-G190 CarbonylContact O-C 3.57Å; T83-G190 WeakPolarHBondContact O-CA 3.31Å; Q188-G190 PolarHBondContact O-N 3.1Å; G190-L262 WeakPolarHBondContact O-CB 3.35Å; G190-L262 PolarHBondContact O-N 3.04Å
191V97.8Very high83.8Confident1 Ų142.7 Ų42.71%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-130133.6178.51800000108.1T83 I84 F85 M209 A259 V260T83-V191 PolarHBondContact O-N 2.91Å; I84-V191 CarbonylContact C-O 3.55Å; I84-V191 WeakPolarHBondContact CA-O 3.5Å; F85-V191 PolarHBondContact N-O 3.02Å; V191-M209 HydrophobicContact CG1-CB 4.41Å; V191-M209 HydrophobicContact CG1-CG 4.37Å; V191-M209 WeakPolarHBondContact CG2-O 3.44Å; V191-A259 HydrophobicContact CG1-CB 3.61Å; V191-V260 CarbonylContact C-O 3.58Å
192V98.6Very high85.4Confident0 Ų038.6 Ų38.60%022%0.224CC..EExtended strand (participates in β ladder)trans-101.1126.1174.9-174.80000108.2F85 I87 L175 F194 A259 V260 L262 V265F85-V192 HydrophobicContact CB-CG2 4.5Å; F85-V192 WeakPolarHBondContact O-CA 3.17Å; I87-V192 HydrophobicContact CD1-CG1 3.7Å; I87-V192 HydrophobicContact CG1-CG1 4.36Å; L175-V192 HydrophobicContact CD1-CB 4.49Å; L175-V192 HydrophobicContact CD1-CG1 3.93Å; L175-V192 HydrophobicContact CD1-CG2 3.7Å; V192-F194 HydrophobicContact CG1-CE1 4.46Å; V192-F194 HydrophobicContact CG1-CE2 4.41Å; V192-F194 HydrophobicContact CG1-CZ 4.11Å; V192-A259 WeakPolarHBondContact O-CA 3.15Å; V192-V260 PolarHBondContact N-O 3.2Å; V192-V260 PolarHBondContact O-N 3.38Å; V192-L262 HydrophobicContact CG2-CB 4.34Å; V192-L262 HydrophobicContact CG2-CD1 3.96Å; V192-V265 HydrophobicContact CB-CG2 4.38Å; V192-V265 HydrophobicContact CG2-CG2 4.06Å
193Y98.9Very high87Confident0 Ų038.9 Ų38.90%023%0.227CC..EExtended strand (participates in β ladder)trans-126.7134.8177.5-175.5-126.9000110.6F85 V86 I87 A195 Y201 L205 F206 M209 W218 A256 F258 A259F85-Y193 PolarHBondContact O-N 3.43Å; V86-Y193 CarbonylContact C-O 3.57Å; V86-Y193 WeakPolarHBondContact CA-O 2.99Å; I87-Y193 PolarHBondContact N-O 3.43Å; Y193-A195 HydrophobicContact CD1-CB 3.97Å; Y193-A195 HydrophobicContact CE1-CB 3.87Å; Y193-Y201 AromaticContact CE1-CD1 3.97Å; Y193-Y201 HydrophobicContact CE1-CD1 3.97Å; Y193-Y201 AromaticContact CE1-CE1 3.75Å; Y193-Y201 HydrophobicContact CE1-CE1 3.75Å; Y193-Y201 AromaticContact CZ-CE1 3.95Å; Y193-Y201 WeakPolarHBondContact OH-CE1 3.32Å; Y193-L205 HydrophobicContact CE1-CD2 4.18Å; Y193-F206 HydrophobicContact CD1-CE1 4.38Å; Y193-M209 HydrophobicContact CD1-CE 3.71Å; Y193-M209 HydrophobicContact CD1-SD 4.1Å; Y193-M209 HydrophobicContact CD2-CE 4.03Å; Y193-M209 HydrophobicContact CD2-SD 4.29Å; Y193-M209 HydrophobicContact CE1-CE 3.89Å; Y193-M209 HydrophobicContact CE2-CE 4.25Å; Y193-M209 HydrophobicContact CG-CE 3.78Å; Y193-M209 HydrophobicContact CG-SD 3.78Å; Y193-W218 HydrophobicContact CD2-CZ2 4.12Å; Y193-W218 HydrophobicContact CE2-CH2 4.43Å; Y193-W218 AromaticContact CE2-CZ2 3.61Å; Y193-W218 HydrophobicContact CE2-CZ2 3.61Å; Y193-A256 WeakPolarHBondContact CE2-O 3.46Å; Y193-A256 PolarHBondContact OH-O 3.43Å; Y193-F258 WeakPolarHBondContact CD2-O 3.48Å; Y193-F258 VanDerWaalsContact CE2-O 3.26Å; Y193-F258 WeakPolarHBondContact CE2-O 3.47Å; Y193-A259 HydrophobicContact CD2-CB 4Å
194F98.8Very high89.3Confident1 Ų138.6 Ų38.60%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-98.4109.2177.6-59-78.8000108.8I87 R168 L172 V192 M255 F258 F273 L286I87-F194 HydrophobicContact CB-CD1 3.92Å; I87-F194 HydrophobicContact CB-CE1 4.22Å; I87-F194 HydrophobicContact CD1-CD1 4.18Å; I87-F194 HydrophobicContact CD1-CE1 3.59Å; I87-F194 HydrophobicContact CD1-CZ 4.34Å; I87-F194 HydrophobicContact CG1-CE1 4.47Å; I87-F194 HydrophobicContact CG2-CD1 4.17Å; I87-F194 HydrophobicContact CG2-CE1 4.42Å; R168-F194 HydrophobicContact CB-CD1 4.16Å; R168-F194 HydrophobicContact CB-CE1 4.21Å; R168-F194 HydrophobicContact CG-CD1 3.95Å; L172-F194 HydrophobicContact CD1-CE1 4.41Å; L172-F194 HydrophobicContact CD1-CZ 4.12Å; L172-F194 HydrophobicContact CD2-CE1 4.38Å; L172-F194 HydrophobicContact CD2-CZ 3.92Å; L172-F194 HydrophobicContact CG-CE1 4.17Å; L172-F194 HydrophobicContact CG-CZ 4.08Å; V192-F194 HydrophobicContact CG1-CE1 4.46Å; V192-F194 HydrophobicContact CG1-CE2 4.41Å; V192-F194 HydrophobicContact CG1-CZ 4.11Å; F194-M255 HydrophobicContact CB-CG 3.74Å; F194-M255 HydrophobicContact CB-SD 3.68Å; F194-M255 HydrophobicContact CD2-SD 4.18Å; F194-M255 HydrophobicContact CG-SD 3.99Å; F194-F258 AromaticContact CD2-CE2 3.95Å; F194-F258 HydrophobicContact CD2-CE2 3.95Å; F194-F258 HydrophobicContact CD2-CZ 4.19Å; F194-F258 HydrophobicContact CE2-CE2 4.12Å; F194-F273 AromaticContact CD1-CE2 3.9Å; F194-F273 HydrophobicContact CD1-CE2 3.9Å; F194-F273 HydrophobicContact CD1-CZ 4.15Å; F194-F273 HydrophobicContact CD2-CE2 4.41Å; F194-F273 AromaticContact CD2-CZ 3.96Å; F194-F273 HydrophobicContact CD2-CZ 3.96Å; F194-F273 AromaticContact CE1-CE2 3.51Å; F194-F273 HydrophobicContact CE1-CE2 3.51Å; F194-F273 HydrophobicContact CE1-CZ 4.03Å; F194-F273 HydrophobicContact CE2-CE2 4.07Å; F194-F273 AromaticContact CE2-CZ 3.84Å; F194-F273 HydrophobicContact CE2-CZ 3.84Å; F194-F273 HydrophobicContact CG-CE2 4.33Å; F194-F273 HydrophobicContact CG-CZ 4.1Å; F194-F273 AromaticContact CZ-CE2 3.59Å; F194-F273 HydrophobicContact CZ-CE2 3.59Å; F194-F273 AromaticContact CZ-CZ 3.86Å; F194-F273 HydrophobicContact CZ-CZ 3.86Å; F194-L286 HydrophobicContact CE2-CD2 3.69Å; F194-L286 HydrophobicContact CZ-CD2 3.95Å
195A98.6Very high91Very high0 Ų036.7 Ų36.70%019%0.194CC..  trans-120.5103.6-175.400000110.5V86 I87 T88 F107 Y193 Y201V86-A195 HydrophobicContact CG1-CB 3.46Å; V86-A195 VanDerWaalsContact CG1-CB 3.46Å; I87-A195 PolarHBondContact O-N 2.96Å; T88-A195 VanDerWaalsContact CA-O 3.28Å; T88-A195 WeakPolarHBondContact CA-O 3.22Å; T88-A195 VanDerWaalsContact CB-O 3.22Å; T88-A195 WeakPolarHBondContact CB-O 3.28Å; T88-A195 WeakPolarHBondContact CG2-O 3.12Å; T88-A195 PolarHBondContact OG1-O 2.85Å; F107-A195 HydrophobicContact CZ-CB 4.42Å; Y193-A195 HydrophobicContact CD1-CB 3.97Å; Y193-A195 HydrophobicContact CE1-CB 3.87Å; A195-Y201 VanDerWaalsContact C-OH 3.26Å; A195-Y201 WeakPolarHBondContact CA-OH 3.32Å; A195-Y201 HydrophobicContact CB-CE1 4.12Å; A195-Y201 HydrophobicContact CB-CE2 4.11Å; A195-Y201 WeakPolarHBondContact CB-OH 3.15Å
196D98.4Very high92.8Very high35 Ų3531.9 Ų31.919%0.18717%0.169CC..  trans-64.8145.8172.9-73.48.2000111R168 D198 N199 Y201R168-D196 IonicContact CZ-OD1 2.76Å; R168-D196 IonicContact NE-OD1 3.9Å; R168-D196 VanDerWaalsContact NH2-CG 3.25Å; R168-D196 IonicContact NH2-OD1 3.7Å; R168-D196 PolarHBondContact NH2-OD1 2.83Å; R168-D196 IonicContact NH2-OD2 2.96Å; R168-D196 PolarHBondContact NH2-OD2 3.08Å; D196-D198 PolarHBondContact O-N 3.43Å; D196-N199 PolarHBondContact O-N 2.79Å; D196-Y201 PolarHBondContact N-OH 3.23Å; D196-Y201 PolarHBondContact O-OH 2.94Å
197D98.3Very high94.5Very high12 Ų1230.4 Ų30.46%0.06416%0.158CC..THydrogen-bonded Turntrans-72.9-12.4-168.864.66.9000114.9T88 T90 R93 L100 L103T88-D197 HydrophobicContact CG2-CB 3.81Å; T90-D197 VanDerWaalsContact CB-OD2 3.32Å; T90-D197 WeakPolarHBondContact CB-OD2 3.13Å; T90-D197 PolarHBondContact OG1-OD2 3.4Å; R93-D197 IonicContact CZ-OD1 3.38Å; R93-D197 IonicContact CZ-OD2 3.23Å; R93-D197 VanDerWaalsContact CZ-OD2 3.23Å; R93-D197 IonicContact NH1-OD1 3.95Å; R93-D197 IonicContact NH1-OD2 3.75Å; R93-D197 PolarHBondContact NH1-OD2 3.36Å; R93-D197 IonicContact NH2-OD1 2.75Å; R93-D197 PolarHBondContact NH2-OD1 3.39Å; R93-D197 IonicContact NH2-OD2 3.57Å; R93-D197 PolarHBondContact NH2-OD2 3.38Å; L100-D197 HydrophobicContact CD2-CB 4.2Å; L103-D197 HydrophobicContact CD2-CB 4.39Å
198D98Very high96.2Very high23 Ų2333 Ų3312%0.12317%0.167CC..THydrogen-bonded Turntrans-99.1-10-178.569.7-9.8000114.6R102 D196 T311R102-D198 PolarHBondContact NH2-O 3.22Å; D196-D198 PolarHBondContact O-N 3.43Å; D198-T311 CarbonylContact C-O 3.51Å; D198-T311 VanDerWaalsContact O-O 3.09Å; D198-T311 PolarHBondContact O-OG1 3.32Å
199N98.7Very high97.6Very high2 Ų229.8 Ų29.81%0.01115%0.152CC..SBendtrans-76168.2-179.9-83.5-148.8000112R102 D196 Y201 A256 T311R102-N199 PolarHBondContact NH1-O 3.25Å; D196-N199 PolarHBondContact O-N 2.79Å; N199-Y201 HydrophobicContact CB-CE1 4.07Å; N199-Y201 HydrophobicContact CB-CE2 3.67Å; N199-Y201 WeakPolarHBondContact CB-OH 3.41Å; N199-A256 WeakPolarHBondContact OD1-CB 3.24Å; N199-T311 WeakPolarHBondContact CA-OG1 3.48Å
200T98.9Very high98.2Very high56 Ų5626.8 Ų26.834%0.34414%0.137SC..EExtended strand (participates in β ladder)trans-118.8125.7177.1-61.80000110.5V308 W309 T311T200-V308 WeakPolarHBondContact O-CA 3.45Å; T200-W309 HydrophobicContact CG2-CE3 4.28Å; T200-W309 PolarHBondContact N-O 3.06Å; T200-W309 PolarHBondContact O-N 3.23Å; T200-T311 PolarHBondContact N-OG1 3.39Å; T200-T311 PolarHBondContact OG1-OG1 2.93Å
201Y98.8Very high98.3Very high11 Ų1129.9 Ų29.94%0.04316%0.158CC..EExtended strand (participates in β ladder)trans-119.3126.2-172.2-53.9-80.2000111L103 Y193 A195 D196 N199 L205 F206 V308L103-Y201 HydrophobicContact CD1-CD2 3.54Å; L103-Y201 HydrophobicContact CD1-CE2 3.63Å; Y193-Y201 AromaticContact CE1-CD1 3.97Å; Y193-Y201 HydrophobicContact CE1-CD1 3.97Å; Y193-Y201 AromaticContact CE1-CE1 3.75Å; Y193-Y201 HydrophobicContact CE1-CE1 3.75Å; Y193-Y201 AromaticContact CZ-CE1 3.95Å; Y193-Y201 WeakPolarHBondContact OH-CE1 3.32Å; A195-Y201 VanDerWaalsContact C-OH 3.26Å; A195-Y201 WeakPolarHBondContact CA-OH 3.32Å; A195-Y201 HydrophobicContact CB-CE1 4.12Å; A195-Y201 HydrophobicContact CB-CE2 4.11Å; A195-Y201 WeakPolarHBondContact CB-OH 3.15Å; D196-Y201 PolarHBondContact N-OH 3.23Å; D196-Y201 PolarHBondContact O-OH 2.94Å; N199-Y201 HydrophobicContact CB-CE1 4.07Å; N199-Y201 HydrophobicContact CB-CE2 3.67Å; N199-Y201 WeakPolarHBondContact CB-OH 3.41Å; Y201-L205 HydrophobicContact CD1-CD2 3.75Å; Y201-F206 HydrophobicContact CG-CZ 4.39Å; Y201-V308 HydrophobicContact CD1-CB 4.42Å; Y201-V308 HydrophobicContact CD1-CG2 3.47Å; Y201-V308 VanDerWaalsContact CD1-CG2 3.47Å; Y201-V308 HydrophobicContact CE1-CG2 3.57Å; Y201-V308 HydrophobicContact CG-CG2 4.48Å
202S98.8Very high98.3Very high26 Ų2630.4 Ų30.418%0.18216%0.161CC..  trans-78.5152.6170.171.20000111.2Q204 L205 F206 L307S202-Q204 PolarHBondContact O-N 2.69Å; S202-L205 VanDerWaalsContact O-CB 3.23Å; S202-L205 WeakPolarHBondContact O-CB 3.26Å; S202-L205 PolarHBondContact O-N 3.43Å; S202-L205 PolarHBondContact OG-N 3Å; S202-F206 WeakPolarHBondContact O-CD2 3.44Å; S202-L307 VanDerWaalsContact CB-O 3.31Å; S202-L307 WeakPolarHBondContact CB-O 3.27Å; S202-L307 PolarHBondContact N-O 3.48Å; S202-L307 WeakPolarHBondContact OG-CB 3.45Å; S202-L307 PolarHBondContact OG-O 2.65Å
203L98.7Very high98.2Very high85 Ų8540.3 Ų40.345%0.44520%0.198SC..Hα-helixtrans-62.7-32.6176.1-59.6-177000112.6T106 H109 V110 L205 F206T106-L203 HydrophobicContact CG2-CD2 3.99Å; H109-L203 HydrophobicContact CB-CD1 3.82Å; H109-L203 HydrophobicContact CB-CD2 3.67Å; H109-L203 HydrophobicContact CB-CG 4.41Å; V110-L203 HydrophobicContact CG2-CD2 4.22Å; L203-L205 PolarHBondContact O-N 2.73Å; L203-F206 PolarHBondContact O-N 2.77Å
204Q98.6Very high98.1Very high127 Ų12744.6 Ų44.659%0.59321%0.214SC*.Hα-helixtrans-62-32179.4-66.2-179.49.600112.4S202 F206 E207 E208 L307S202-Q204 PolarHBondContact O-N 2.69Å; Q204-F206 VanDerWaalsContact C-N 3.26Å; Q204-F206 PolarHBondContact O-N 2.77Å; Q204-E207 PolarHBondContact O-N 2.91Å; Q204-E208 WeakPolarHBondContact O-CG 3.03Å; Q204-E208 PolarHBondContact O-N 3.32Å; Q204-E208 VanDerWaalsContact O-N 3.08Å; Q204-L307 HydrophobicContact CB-CD1 4.37Å; Q204-L307 HydrophobicContact CB-CD2 4.29Å
205L98.8Very high98.1Very high0 Ų044.5 Ų44.50%021%0.214CC..Hα-helixtrans-55.6-41.9177.7-175.771.3000112.4Y193 Y201 S202 L203 E207 E208 M209 W218 L307 V308Y193-L205 HydrophobicContact CE1-CD2 4.18Å; Y201-L205 HydrophobicContact CD1-CD2 3.75Å; S202-L205 VanDerWaalsContact O-CB 3.23Å; S202-L205 WeakPolarHBondContact O-CB 3.26Å; S202-L205 PolarHBondContact O-N 3.43Å; S202-L205 PolarHBondContact OG-N 3Å; L203-L205 PolarHBondContact O-N 2.73Å; L205-E207 VanDerWaalsContact C-N 3.32Å; L205-E207 PolarHBondContact O-N 2.9Å; L205-E208 WeakPolarHBondContact O-CB 3.2Å; L205-E208 PolarHBondContact O-N 2.93Å; L205-M209 HydrophobicContact CD1-CE 4.49Å; L205-M209 HydrophobicContact CD2-CE 3.98Å; L205-M209 HydrophobicContact CG-CE 3.64Å; L205-M209 PolarHBondContact O-N 3.3Å; L205-M209 VanDerWaalsContact O-N 3.09Å; L205-W218 HydrophobicContact CD1-CD2 3.94Å; L205-W218 HydrophobicContact CD1-CG 4.14Å; L205-W218 HydrophobicContact CD1-CZ2 3.94Å; L205-L307 HydrophobicContact CB-CB 4.16Å; L205-L307 HydrophobicContact CD1-CB 3.94Å; L205-V308 HydrophobicContact CD1-CB 4.39Å; L205-V308 HydrophobicContact CD1-CG1 4.44Å; L205-V308 HydrophobicContact CD2-CB 3.9Å; L205-V308 HydrophobicContact CD2-CG2 4.25Å
206F98.6Very high98.1Very high0 Ų044.5 Ų44.50%021%0.214CC..Hα-helixtrans-69.2-33-177.3-62.7-79.8000112I84 V86 T106 F107 V110 L113 Y193 Y201 S202 L203 Q204 M209 R210I84-F206 HydrophobicContact CD1-CB 3.92Å; I84-F206 HydrophobicContact CD1-CD1 4.29Å; I84-F206 VanDerWaalsContact CD1-O 3.3Å; I84-F206 WeakPolarHBondContact CD1-O 3.41Å; V86-F206 HydrophobicContact CG2-CE1 4.38Å; T106-F206 HydrophobicContact CG2-CE2 4.29Å; F107-F206 HydrophobicContact CD1-CE1 4.44Å; F107-F206 HydrophobicContact CD1-CZ 4.01Å; F107-F206 HydrophobicContact CE1-CE1 4.11Å; F107-F206 AromaticContact CE1-CZ 3.67Å; F107-F206 HydrophobicContact CE1-CZ 3.67Å; V110-F206 HydrophobicContact CB-CG 4.41Å; V110-F206 HydrophobicContact CG1-CB 3.59Å; V110-F206 HydrophobicContact CG1-CD1 4.12Å; V110-F206 HydrophobicContact CG1-CD2 4.49Å; V110-F206 HydrophobicContact CG1-CG 3.81Å; V110-F206 HydrophobicContact CG2-CB 4.11Å; V110-F206 HydrophobicContact CG2-CD1 4.28Å; V110-F206 HydrophobicContact CG2-CD2 3.52Å; V110-F206 HydrophobicContact CG2-CE2 4Å; V110-F206 HydrophobicContact CG2-CG 3.69Å; L113-F206 HydrophobicContact CD1-CD1 4.35Å; L113-F206 HydrophobicContact CD1-CE1 4.26Å; Y193-F206 HydrophobicContact CD1-CE1 4.38Å; Y201-F206 HydrophobicContact CG-CZ 4.39Å; S202-F206 WeakPolarHBondContact O-CD2 3.44Å; L203-F206 PolarHBondContact O-N 2.77Å; Q204-F206 VanDerWaalsContact C-N 3.26Å; Q204-F206 PolarHBondContact O-N 2.77Å; F206-M209 HydrophobicContact CD1-CE 3.95Å; F206-M209 HydrophobicContact CD1-SD 4.16Å; F206-M209 HydrophobicContact CE1-CE 4.27Å; F206-M209 WeakPolarHBondContact O-CG 3.32Å; F206-R210 WeakPolarHBondContact O-CB 3.38Å; F206-R210 PolarHBondContact O-N 2.91Å
207E97.8Very high98.1Very high93 Ų9342.9 Ų42.944%0.43521%0.205SC..Hα-helixtrans-73-36.2174.3-60.6-49.5135.800112.1Q204 L205 R210Q204-E207 PolarHBondContact O-N 2.91Å; L205-E207 VanDerWaalsContact C-N 3.32Å; L205-E207 PolarHBondContact O-N 2.9Å; E207-R210 IonicContact OE1-CZ 3.92Å; E207-R210 IonicContact OE1-NE 3.11Å; E207-R210 IonicContact OE1-NH2 3.81Å; E207-R210 PolarHBondContact OE1-NH2 3.14Å; E207-R210 IonicContact OE2-CZ 3.16Å; E207-R210 IonicContact OE2-NE 2.88Å; E207-R210 PolarHBondContact OE2-NE 2.81Å; E207-R210 VanDerWaalsContact OE2-NE 3.11Å; E207-R210 IonicContact OE2-NH2 3.7Å
208E98.4Very high98.1Very high68 Ų6842.4 Ų42.432%0.31820%0.203SC..Hα-helixtrans-61-46.5174.6-71.7-68133.200111.9Q204 L205 S211 K299 A300 L307Q204-E208 WeakPolarHBondContact O-CG 3.03Å; Q204-E208 PolarHBondContact O-N 3.32Å; Q204-E208 VanDerWaalsContact O-N 3.08Å; L205-E208 WeakPolarHBondContact O-CB 3.2Å; L205-E208 PolarHBondContact O-N 2.93Å; E208-S211 PolarHBondContact O-OG 2.89Å; E208-K299 HydrophobicContact CB-CB 4.21Å; E208-K299 WeakPolarHBondContact O-CD 3.48Å; E208-K299 WeakPolarHBondContact OE2-CB 3.48Å; E208-A300 PolarHBondContact OE2-N 3.34Å; E208-L307 HydrophobicContact CG-CD1 3.76Å
209M98.4Very high98.2Very high0 Ų041.3 Ų41.30%020%0.197CC..Hα-helixtrans-74.9-25.2-176.375.917868.600113.6I84 V191 Y193 L205 F206 S211 T212 W218 A259I84-M209 HydrophobicContact CD1-CG 4.1Å; I84-M209 HydrophobicContact CD1-SD 4.36Å; I84-M209 HydrophobicContact CG2-SD 3.76Å; V191-M209 HydrophobicContact CG1-CB 4.41Å; V191-M209 HydrophobicContact CG1-CG 4.37Å; V191-M209 WeakPolarHBondContact CG2-O 3.44Å; Y193-M209 HydrophobicContact CD1-CE 3.71Å; Y193-M209 HydrophobicContact CD1-SD 4.1Å; Y193-M209 HydrophobicContact CD2-CE 4.03Å; Y193-M209 HydrophobicContact CD2-SD 4.29Å; Y193-M209 HydrophobicContact CE1-CE 3.89Å; Y193-M209 HydrophobicContact CE2-CE 4.25Å; Y193-M209 HydrophobicContact CG-CE 3.78Å; Y193-M209 HydrophobicContact CG-SD 3.78Å; L205-M209 HydrophobicContact CD1-CE 4.49Å; L205-M209 HydrophobicContact CD2-CE 3.98Å; L205-M209 HydrophobicContact CG-CE 3.64Å; L205-M209 PolarHBondContact O-N 3.3Å; L205-M209 VanDerWaalsContact O-N 3.09Å; F206-M209 HydrophobicContact CD1-CE 3.95Å; F206-M209 HydrophobicContact CD1-SD 4.16Å; F206-M209 HydrophobicContact CE1-CE 4.27Å; F206-M209 WeakPolarHBondContact O-CG 3.32Å; M209-S211 PolarHBondContact O-N 2.85Å; M209-T212 VanDerWaalsContact O-CB 3.31Å; M209-T212 WeakPolarHBondContact O-CB 3.24Å; M209-T212 PolarHBondContact O-N 3Å; M209-T212 PolarHBondContact O-OG1 2.88Å; M209-W218 HydrophobicContact CB-CH2 3.48Å; M209-W218 VanDerWaalsContact CB-CH2 3.48Å; M209-W218 HydrophobicContact CB-CZ3 3.71Å; M209-W218 HydrophobicContact CE-CH2 4Å; M209-W218 HydrophobicContact CE-CZ2 4.1Å; M209-A259 HydrophobicContact CB-CB 4Å; M209-A259 HydrophobicContact SD-CB 4.36Å
210R96.8Very high98.2Very high17 Ų1741.4 Ų41.46%0.06420%0.197CC..THydrogen-bonded Turntrans-57.3-26.4-173.4-164.4-176.9-64.8-77.43.6114S82 I84 P111 F206 E207S82-R210 PolarHBondContact O-NH1 2.76Å; I84-R210 HydrophobicContact CD1-CB 4.36Å; P111-R210 PolarHBondContact O-NH1 2.64Å; P111-R210 PolarHBondContact O-NH2 2.76Å; F206-R210 WeakPolarHBondContact O-CB 3.38Å; F206-R210 PolarHBondContact O-N 2.91Å; E207-R210 IonicContact OE1-CZ 3.92Å; E207-R210 IonicContact OE1-NE 3.11Å; E207-R210 IonicContact OE1-NH2 3.81Å; E207-R210 PolarHBondContact OE1-NH2 3.14Å; E207-R210 IonicContact OE2-CZ 3.16Å; E207-R210 IonicContact OE2-NE 2.88Å; E207-R210 PolarHBondContact OE2-NE 2.81Å; E207-R210 VanDerWaalsContact OE2-NE 3.11Å; E207-R210 IonicContact OE2-NH2 3.7Å
211S95.7Very high98.2Very high71 Ų7138.8 Ų38.850%0.49718%0.181SC..THydrogen-bonded Turntrans-91.510.4-178.464.20000114.8E208 M209 R213 K299E208-S211 PolarHBondContact O-OG 2.89Å; M209-S211 PolarHBondContact O-N 2.85Å; S211-R213 PolarHBondContact O-N 3.23Å; S211-K299 PolarHBondContact OG-NZ 3.35Å
212T97.9Very high98.1Very high11 Ų1143.4 Ų43.47%0.06721%0.206CC..  trans-64.9130.5-176.4-59.70000112.1M209 R214 S216M209-T212 VanDerWaalsContact O-CB 3.31Å; M209-T212 WeakPolarHBondContact O-CB 3.24Å; M209-T212 PolarHBondContact O-N 3Å; M209-T212 PolarHBondContact O-OG1 2.88Å; T212-R214 WeakPolarHBondContact CG2-O 3.29Å; T212-S216 WeakPolarHBondContact OG1-CB 3.45Å; T212-S216 PolarHBondContact OG1-OG 2.77Å
213R95.9Very high97.9Very high209 Ų20942.8 Ų42.879%0.78920%0.201SC*.SBendtrans-104.4-37.6177.7-58.3179.3176.6177.7-2.8112.6S211 S261 E297S211-R213 PolarHBondContact O-N 3.23Å; R213-S261 WeakPolarHBondContact O-CB 3.45Å; R213-S261 PolarHBondContact O-OG 3.36Å; R213-S261 VanDerWaalsContact O-OG 3.13Å; R213-E297 WeakPolarHBondContact CA-OE1 3.48Å; R213-E297 VanDerWaalsContact CB-OE1 3.31Å; R213-E297 WeakPolarHBondContact CB-OE1 3.45Å; R213-E297 PolarHBondContact N-OE1 2.96Å; R213-E297 PolarHBondContact N-OE2 3.06Å
214R97.1Very high97.6Very high89 Ų8940.2 Ų40.234%0.33620%0.195SC..SBendtrans-119.3-92.6173.5-62.4-175.870.9860.3109.6T212 S261 L264 V291 E295 E297T212-R214 WeakPolarHBondContact CG2-O 3.29Å; R214-S261 WeakPolarHBondContact O-CB 3.47Å; R214-S261 PolarHBondContact O-N 3.12Å; R214-L264 HydrophobicContact CB-CD2 4.33Å; R214-V291 HydrophobicContact CB-CG1 4.14Å; R214-E295 VanDerWaalsContact CZ-CD 3.42Å; R214-E295 IonicContact CZ-OE1 3.7Å; R214-E295 IonicContact CZ-OE2 3.62Å; R214-E295 IonicContact NE-OE1 2.81Å; R214-E295 PolarHBondContact NE-OE1 2.96Å; R214-E295 IonicContact NE-OE2 2.69Å; R214-E295 PolarHBondContact NE-OE2 3.01Å; R214-E295 IonicContact NH1-OE1 2.66Å; R214-E295 IonicContact NH2-OE1 3.23Å; R214-E295 PolarHBondContact NH2-OE1 2.96Å; R214-E295 IonicContact NH2-OE2 3.85Å; R214-E295 PolarHBondContact NH2-OE2 3.23Å; R214-E297 PolarHBondContact N-OE1 3.2Å
215V98.7Very high97.3Very high0 Ų038.3 Ų38.30%021%0.21CC..EExtended strand (participates in β ladder)trans-134.7119.6177.3175.20000108.8V217 F258 A259 V260 L264 L287 V291 L296 E297V215-V217 HydrophobicContact CG1-CG1 4.29Å; V215-F258 HydrophobicContact CG1-CB 4.22Å; V215-A259 CarbonylContact C-O 3.44Å; V215-A259 VanDerWaalsContact CA-O 3.31Å; V215-A259 WeakPolarHBondContact CA-O 3.41Å; V215-V260 HydrophobicContact CG2-CB 4.5Å; V215-V260 HydrophobicContact CG2-CG1 4.1Å; V215-V260 HydrophobicContact CG2-CG2 4.25Å; V215-L264 HydrophobicContact CG2-CD2 3.99Å; V215-L287 HydrophobicContact CG1-CD2 3.86Å; V215-L287 HydrophobicContact CG2-CD2 4.23Å; V215-V291 HydrophobicContact CB-CG1 4.03Å; V215-V291 HydrophobicContact CB-CG2 3.97Å; V215-V291 HydrophobicContact CG1-CG2 4.44Å; V215-V291 HydrophobicContact CG2-CB 4.25Å; V215-V291 HydrophobicContact CG2-CG1 3.49Å; V215-V291 VanDerWaalsContact CG2-CG1 3.49Å; V215-V291 HydrophobicContact CG2-CG2 3.68Å; V215-L296 HydrophobicContact CB-CD2 3.95Å; V215-L296 HydrophobicContact CG1-CD2 3.7Å; V215-E297 PolarHBondContact O-N 2.97Å
216S98.8Very high97.1Very high0 Ų041 Ų410%022%0.223CC..EExtended strand (participates in β ladder)trans-93.3145.4175.458.20000111.4T212 W218 F258 A259 E297T212-S216 WeakPolarHBondContact OG1-CB 3.45Å; T212-S216 PolarHBondContact OG1-OG 2.77Å; S216-W218 WeakPolarHBondContact OG-CZ3 3.36Å; S216-F258 CarbonylContact O-C 3.6Å; S216-F258 WeakPolarHBondContact O-CA 3.31Å; S216-F258 WeakPolarHBondContact O-CB 3.46Å; S216-A259 PolarHBondContact N-O 2.95Å; S216-A259 PolarHBondContact O-N 3.11Å; S216-A259 PolarHBondContact OG-O 2.55Å; S216-E297 CarbonylContact C-O 3.54Å; S216-E297 VanDerWaalsContact CA-O 3.27Å; S216-E297 WeakPolarHBondContact CA-O 3.43Å
217V98.8Very high97.1Very high0 Ų049.5 Ų49.50%026%0.261CS..EExtended strand (participates in β ladder)trans-135.3151.3-178.6-59.40000112.6V215 P231 V238 M253 G257 F258 L296 E297 K299V215-V217 HydrophobicContact CG1-CG1 4.29Å; V217-P231 HydrophobicContact CB-CG 3.87Å; V217-P231 HydrophobicContact CG2-CB 4.05Å; V217-P231 HydrophobicContact CG2-CG 3.64Å; V217-V238 HydrophobicContact CG2-CG2 3.87Å; V217-M253 HydrophobicContact CB-CE 3.88Å; V217-M253 HydrophobicContact CG1-CE 3.67Å; V217-M253 HydrophobicContact CG1-SD 3.97Å; V217-G257 WeakPolarHBondContact CA-O 3.16Å; V217-F258 HydrophobicContact CG1-CB 4.11Å; V217-L296 HydrophobicContact CG1-CB 4.3Å; V217-L296 HydrophobicContact CG1-CD1 4.11Å; V217-L296 HydrophobicContact CG1-CD2 3.84Å; V217-L296 HydrophobicContact CG1-CG 4.3Å; V217-L296 HydrophobicContact CG2-CB 4.11Å; V217-L296 HydrophobicContact CG2-CD1 4.49Å; V217-E297 PolarHBondContact N-O 3.33Å; V217-K299 PolarHBondContact O-N 3.47Å
218W98.8Very high97.1Very high2 Ų249 Ų491%0.00826%0.257CS..  trans-154.2167.3-179.746.476.7000112.3Y193 L205 M209 S216 A256 G257 A259 K299 A300Y193-W218 HydrophobicContact CD2-CZ2 4.12Å; Y193-W218 HydrophobicContact CE2-CH2 4.43Å; Y193-W218 AromaticContact CE2-CZ2 3.61Å; Y193-W218 HydrophobicContact CE2-CZ2 3.61Å; L205-W218 HydrophobicContact CD1-CD2 3.94Å; L205-W218 HydrophobicContact CD1-CG 4.14Å; L205-W218 HydrophobicContact CD1-CZ2 3.94Å; M209-W218 HydrophobicContact CB-CH2 3.48Å; M209-W218 VanDerWaalsContact CB-CH2 3.48Å; M209-W218 HydrophobicContact CB-CZ3 3.71Å; M209-W218 HydrophobicContact CE-CH2 4Å; M209-W218 HydrophobicContact CE-CZ2 4.1Å; S216-W218 WeakPolarHBondContact OG-CZ3 3.36Å; W218-A256 PolarHBondContact NE1-O 3.27Å; W218-G257 PolarHBondContact N-O 2.96Å; W218-A259 HydrophobicContact CH2-CB 3.58Å; W218-A259 HydrophobicContact CZ2-CB 4.39Å; W218-A259 HydrophobicContact CZ3-CB 4.37Å; W218-K299 HydrophobicContact CE3-CB 3.94Å; W218-K299 HydrophobicContact CE3-CG 4.01Å; W218-K299 HydrophobicContact CZ3-CG 4.26Å; W218-A300 HydrophobicContact CB-CB 3.91Å
219P98.6Very high97Very high1 Ų146.2 Ų46.21%0.00624%0.244CC..  trans-66.4144.5174-18.731.8000112.7E229 S230 C303 K305 V306P219-E229 VanDerWaalsContact CA-O 3.26Å; P219-E229 WeakPolarHBondContact CA-O 3.46Å; P219-S230 WeakPolarHBondContact CG-OG 3.48Å; P219-C303 VanDerWaalsContact CG-C 3.5Å; P219-C303 HydrophobicContact CG-CB 3.9Å; P219-C303 WeakPolarHBondContact CG-O 3.42Å; P219-K305 WeakPolarHBondContact CD-O 3.35Å; P219-K305 WeakPolarHBondContact CG-O 3.43Å; P219-V306 HydrophobicContact CB-CG2 4.05Å
220V98.8Very high97Very high3 Ų346.8 Ų46.82%0.01825%0.248CC..EExtended strand (participates in β ladder)trans-119.7127.7174.3-178.30000109.2V223 F228 E229 D254 V308 H310V220-V223 HydrophobicContact CB-CG1 3.92Å; V220-V223 HydrophobicContact CG1-CB 4.12Å; V220-V223 HydrophobicContact CG1-CG1 3.91Å; V220-F228 CarbonylContact O-C 3.59Å; V220-F228 WeakPolarHBondContact O-CA 3.44Å; V220-F228 VanDerWaalsContact O-CB 3.28Å; V220-F228 WeakPolarHBondContact O-CB 3.3Å; V220-E229 PolarHBondContact N-O 3.27Å; V220-E229 PolarHBondContact O-N 2.74Å; V220-D254 HydrophobicContact CB-CB 4.46Å; V220-D254 HydrophobicContact CG1-CB 4.3Å; V220-D254 HydrophobicContact CG2-CB 4.3Å; V220-V308 HydrophobicContact CB-CG1 4.32Å; V220-V308 HydrophobicContact CG1-CG1 4.29Å; V220-V308 HydrophobicContact CG2-CG1 3.88Å; V220-H310 HydrophobicContact CG1-CB 4.13Å
221G98.6Very high97Very high1 Ų146.1 Ų46.11%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-80.3150.1178.900000113.1V223 K227 V308 H310G221-V223 VanDerWaalsContact C-N 3.31Å; G221-V223 PolarHBondContact O-N 2.78Å; G221-K227 WeakPolarHBondContact CA-O 3.44Å; G221-V308 PolarHBondContact N-O 3.43Å; G221-H310 PolarHBondContact O-N 3.37Å
222L97.6Very high97.1Very high108 Ų10844.1 Ų44.157%0.56523%0.23SC*.THydrogen-bonded Turntrans57.836.9172.2-49.9179.3000114.5M226 K227L222-M226 WeakPolarHBondContact CA-O 3.36Å; L222-K227 PolarHBondContact N-O 2.81Å
223V95.4Very high97.1Very high13 Ų1345.1 Ų45.18%0.07924%0.237CC..  trans-123.7161-177.5770000111.8V220 G221 G225 M226 E229 D254 H310V220-V223 HydrophobicContact CB-CG1 3.92Å; V220-V223 HydrophobicContact CG1-CB 4.12Å; V220-V223 HydrophobicContact CG1-CG1 3.91Å; G221-V223 VanDerWaalsContact C-N 3.31Å; G221-V223 PolarHBondContact O-N 2.78Å; V223-G225 PolarHBondContact O-N 2.81Å; V223-M226 PolarHBondContact O-N 3.43Å; V223-E229 HydrophobicContact CG1-CB 3.84Å; V223-E229 HydrophobicContact CG1-CG 3.83Å; V223-D254 HydrophobicContact CG1-CB 4.39Å; V223-D254 HydrophobicContact CG2-CB 3.76Å; V223-H310 HydrophobicContact CB-CB 3.94Å; V223-H310 HydrophobicContact CG2-CB 4.08Å
224G91.3Very high97.2Very high31 Ų3140.6 Ų40.632%0.3222%0.224SC..THydrogen-bonded Turntrans62.617.2177.300000114.7M226G224-M226 VanDerWaalsContact C-N 3.3Å
225G92.4Very high97.1Very high88 Ų8840.6 Ų40.691%0.90725%0.253SS*.THydrogen-bonded Turntrans73.319.7-171.600000113.9V223V223-G225 PolarHBondContact O-N 2.81Å
226M95.4Very high96.9Very high55 Ų5542.4 Ų42.427%0.27127%0.271SS..SBendtrans-123.1166.2-175.9-60.6-173.465.700111.9L222 V223 G224 F228 E229 H242 G244L222-M226 WeakPolarHBondContact CA-O 3.36Å; V223-M226 PolarHBondContact O-N 3.43Å; G224-M226 VanDerWaalsContact C-N 3.3Å; M226-F228 PolarHBondContact O-N 2.82Å; M226-E229 HydrophobicContact SD-CG 4.29Å; M226-H242 WeakPolarHBondContact CE-NE2 3.28Å; M226-G244 PolarHBondContact SD-N 2.93Å
227K97.2Very high96.8Very high180 Ų18047.7 Ų47.778%0.78329%0.294SS*.SBendtrans-59.5-39.7169.9-71.8-174.1178.3-1790111.2G221 L222G221-K227 WeakPolarHBondContact CA-O 3.44Å; L222-K227 PolarHBondContact N-O 2.81Å
228F97.9Very high96.7Very high82 Ų8248 Ų4836%0.3630%0.296SS..EExtended strand (participates in β ladder)trans-158.7155170.861.8-91.1000109.8V220 M226 H242 V306V220-F228 CarbonylContact O-C 3.59Å; V220-F228 WeakPolarHBondContact O-CA 3.44Å; V220-F228 VanDerWaalsContact O-CB 3.28Å; V220-F228 WeakPolarHBondContact O-CB 3.3Å; M226-F228 PolarHBondContact O-N 2.82Å; F228-H242 AromaticContact CE2-CD2 3.79Å; F228-V306 HydrophobicContact CB-CG2 3.98Å; F228-V306 HydrophobicContact CG-CG2 4.29Å
229E97.8Very high96.6Very high9 Ų951.2 Ų51.24%0.04232%0.316CS..EExtended strand (participates in β ladder)trans-105.2147158.8-67.9-167.1146.700108.7P219 V220 V223 M226 H242 T243 R249P219-E229 VanDerWaalsContact CA-O 3.26Å; P219-E229 WeakPolarHBondContact CA-O 3.46Å; V220-E229 PolarHBondContact N-O 3.27Å; V220-E229 PolarHBondContact O-N 2.74Å; V223-E229 HydrophobicContact CG1-CB 3.84Å; V223-E229 HydrophobicContact CG1-CG 3.83Å; M226-E229 HydrophobicContact SD-CG 4.29Å; E229-H242 VanDerWaalsContact CA-O 3.31Å; E229-H242 WeakPolarHBondContact CA-O 3.45Å; E229-T243 WeakPolarHBondContact OE1-CA 3.24Å; E229-T243 VanDerWaalsContact OE1-CB 3.25Å; E229-T243 WeakPolarHBondContact OE1-CB 3.29Å; E229-T243 PolarHBondContact OE1-OG1 3.39Å; E229-R249 IonicContact OE2-NH2 3.88Å
230S97.4Very high96.4Very high12 Ų1257.7 Ų57.78%0.08434%0.34CS..EExtended strand (participates in β ladder)trans-150.2139.5-173.7178.60000113.1P219 H242 C303P219-S230 WeakPolarHBondContact CG-OG 3.48Å; S230-H242 PolarHBondContact N-O 2.78Å; S230-H242 WeakPolarHBondContact O-CB 3.48Å; S230-H242 PolarHBondContact O-N 3.5Å; S230-C303 PolarHBondContact OG-O 3.31Å
231P97.7Very high96.4Very high4 Ų459 Ų593%0.02635%0.346CS..EExtended strand (participates in β ladder)trans-62.1134.7162-13.827.6000110.4V217 V238 F241 C303V217-P231 HydrophobicContact CB-CG 3.87Å; V217-P231 HydrophobicContact CG2-CB 4.05Å; V217-P231 HydrophobicContact CG2-CG 3.64Å; P231-V238 HydrophobicContact CB-CG1 3.93Å; P231-V238 HydrophobicContact CB-CG2 4.03Å; P231-F241 HydrophobicContact CB-CD1 4.2Å; P231-F241 HydrophobicContact CB-CE1 4.15Å; P231-F241 HydrophobicContact CG-CD1 4.38Å; P231-F241 HydrophobicContact CG-CE1 4.24Å; P231-C303 VanDerWaalsContact O-CB 3.27Å; P231-C303 WeakPolarHBondContact O-CB 3.3Å
232V97.7Very high96.2Very high28 Ų2862.6 Ų62.617%0.1736%0.362CS..EExtended strand (participates in β ladder)trans-91.6125173.7179.90000109.3V238 V239 R240 H242V232-V238 WeakPolarHBondContact O-CA 3.35Å; V232-V239 HydrophobicContact CG1-CG2 4.2Å; V232-V239 WeakPolarHBondContact O-CG2 3.24Å; V232-V239 PolarHBondContact O-N 2.92Å; V232-R240 HydrophobicContact CB-CG 3.66Å; V232-R240 HydrophobicContact CG1-CG 4.15Å; V232-R240 HydrophobicContact CG2-CG 3.95Å; V232-R240 PolarHBondContact N-O 2.88Å; V232-H242 HydrophobicContact CG2-CB 4.11Å
233V98.1Very high96.1Very high32 Ų3258.5 Ų58.519%0.19434%0.342CS..EExtended strand (participates in β ladder)trans-112.4125.8-171.6-174.80000110.4K237 P298 N302 C303V233-K237 CarbonylContact C-O 3.59Å; V233-K237 VanDerWaalsContact CA-O 3.26Å; V233-K237 WeakPolarHBondContact CA-O 3.45Å; V233-P298 HydrophobicContact CG1-CB 4.14Å; V233-P298 HydrophobicContact CG1-CG 3.92Å; V233-P298 HydrophobicContact CG2-CB 3.52Å; V233-P298 HydrophobicContact CG2-CG 4.18Å; V233-N302 HydrophobicContact CB-CB 4.33Å; V233-N302 HydrophobicContact CG1-CB 4.09Å; V233-C303 HydrophobicContact CG2-CB 3.91Å
234E97.3Very high95.6Very high114 Ų11460.5 Ų60.553%0.53337%0.365SS..EExtended strand (participates in β ladder)trans-130.3131.7173-67.8177.4-164.800108.6G236 K237 V239E234-G236 PolarHBondContact O-N 3.05Å; E234-G236 VanDerWaalsContact O-N 3.11Å; E234-K237 PolarHBondContact N-O 3.24Å; E234-K237 PolarHBondContact O-N 2.95Å; E234-V239 HydrophobicContact CB-CG1 3.96Å; E234-V239 HydrophobicContact CB-CG2 4.07Å; E234-V239 HydrophobicContact CG-CG2 3.79Å
235G94.9Very high95.2Very high90 Ų9063.5 Ų63.593%0.92837%0.366SS*.THydrogen-bonded Turntrans58.425.7-177.400000114.6K237G235-K237 VanDerWaalsContact C-N 3.31Å
236G94.3Very high94.7Very high38 Ų3864.6 Ų64.639%0.39234%0.343SS..THydrogen-bonded Turntrans77.112.6-176.500000114.6E234 P298E234-G236 PolarHBondContact O-N 3.05Å; E234-G236 VanDerWaalsContact O-N 3.11Å; G236-P298 WeakPolarHBondContact O-CG 3.08Å
237K96.9Very high94.2Very high110 Ų11066.2 Ų66.248%0.47836%0.358SS..EExtended strand (participates in β ladder)trans-122.4146178.2-72.1-64.9-164.8166.50111.4V233 E234 G235 V239 D294V233-K237 CarbonylContact C-O 3.59Å; V233-K237 VanDerWaalsContact CA-O 3.26Å; V233-K237 WeakPolarHBondContact CA-O 3.45Å; E234-K237 PolarHBondContact N-O 3.24Å; E234-K237 PolarHBondContact O-N 2.95Å; G235-K237 VanDerWaalsContact C-N 3.31Å; K237-V239 PolarHBondContact O-N 2.79Å; K237-D294 PolarHBondContact NZ-O 3.28Å
238V97.4Very high93.7Very high7 Ų762.5 Ų62.54%0.04236%0.355CS..EExtended strand (participates in β ladder)trans-74120.9173.1-178.30000108.5V217 P231 V232 F241 V293 L296 P298V217-V238 HydrophobicContact CG2-CG2 3.87Å; P231-V238 HydrophobicContact CB-CG1 3.93Å; P231-V238 HydrophobicContact CB-CG2 4.03Å; V232-V238 WeakPolarHBondContact O-CA 3.35Å; V238-F241 HydrophobicContact CG1-CE1 4.42Å; V238-F241 HydrophobicContact CG1-CE2 4.26Å; V238-F241 HydrophobicContact CG1-CZ 4.05Å; V238-V293 HydrophobicContact CB-CG1 4.38Å; V238-V293 HydrophobicContact CG1-CG1 4Å; V238-L296 HydrophobicContact CB-CB 4.38Å; V238-L296 HydrophobicContact CB-CD1 4.44Å; V238-L296 HydrophobicContact CG1-CD1 4.33Å; V238-L296 HydrophobicContact CG2-CB 3.92Å; V238-L296 HydrophobicContact CG2-CD1 4.44Å; V238-P298 HydrophobicContact CG2-CB 4.35Å
239V96.3Very high93.4Very high70 Ų7059.3 Ų59.342%0.42434%0.34SS..EExtended strand (participates in β ladder)trans-108.1-25.5-179.2-66.40000113V232 E234 K237V232-V239 HydrophobicContact CG1-CG2 4.2Å; V232-V239 WeakPolarHBondContact O-CG2 3.24Å; V232-V239 PolarHBondContact O-N 2.92Å; E234-V239 HydrophobicContact CB-CG1 3.96Å; E234-V239 HydrophobicContact CB-CG2 4.07Å; E234-V239 HydrophobicContact CG-CG2 3.79Å; K237-V239 PolarHBondContact O-N 2.79Å
240R94.9Very high93.2Very high137 Ų13761.2 Ų61.252%0.51735%0.354SS..EExtended strand (participates in β ladder)trans-165.7-171176.264.6-173.8172.178.62.4109.5V232V232-R240 HydrophobicContact CB-CG 3.66Å; V232-R240 HydrophobicContact CG1-CG 4.15Å; V232-R240 HydrophobicContact CG2-CG 3.95Å; V232-R240 PolarHBondContact N-O 2.88Å
241F97.3Very high93.1Very high30 Ų3061 Ų6113%0.13235%0.351CS..EExtended strand (participates in β ladder)trans-127.7146176.8-63-98.2000111.1P231 V238 T243 P252 M253 V293 L296P231-F241 HydrophobicContact CB-CD1 4.2Å; P231-F241 HydrophobicContact CB-CE1 4.15Å; P231-F241 HydrophobicContact CG-CD1 4.38Å; P231-F241 HydrophobicContact CG-CE1 4.24Å; V238-F241 HydrophobicContact CG1-CE1 4.42Å; V238-F241 HydrophobicContact CG1-CE2 4.26Å; V238-F241 HydrophobicContact CG1-CZ 4.05Å; F241-T243 HydrophobicContact CB-CG2 4.25Å; F241-P252 HydrophobicContact CB-CG 3.47Å; F241-P252 VanDerWaalsContact CB-CG 3.47Å; F241-P252 HydrophobicContact CD1-CG 4.14Å; F241-P252 VanDerWaalsContact CD2-CD 3.42Å; F241-P252 HydrophobicContact CD2-CG 3.55Å; F241-P252 HydrophobicContact CE2-CG 4.31Å; F241-P252 HydrophobicContact CG-CG 3.46Å; F241-P252 VanDerWaalsContact CG-CG 3.46Å; F241-M253 HydrophobicContact CE1-SD 4.11Å; F241-V293 HydrophobicContact CE2-CG1 4.1Å; F241-V293 HydrophobicContact CE2-CG2 4.33Å; F241-L296 HydrophobicContact CZ-CD1 3.82Å
242H96.2Very high93Very high77 Ų7761 Ų6136%0.35635%0.351SS..EExtended strand (participates in β ladder)trans-92.598.1166.8-179.470.3000108.3M226 F228 E229 S230 V232M226-H242 WeakPolarHBondContact CE-NE2 3.28Å; F228-H242 AromaticContact CE2-CD2 3.79Å; E229-H242 VanDerWaalsContact CA-O 3.31Å; E229-H242 WeakPolarHBondContact CA-O 3.45Å; S230-H242 PolarHBondContact N-O 2.78Å; S230-H242 WeakPolarHBondContact O-CB 3.48Å; S230-H242 PolarHBondContact O-N 3.5Å; V232-H242 HydrophobicContact CG2-CB 4.11Å
243T94.1Very high92.8Very high22 Ų2260.1 Ų60.114%0.13535%0.345CS..  trans-144.1145-179.2171.50000109.1E229 F241 W245 P247 P252E229-T243 WeakPolarHBondContact OE1-CA 3.24Å; E229-T243 VanDerWaalsContact OE1-CB 3.25Å; E229-T243 WeakPolarHBondContact OE1-CB 3.29Å; E229-T243 PolarHBondContact OE1-OG1 3.39Å; F241-T243 HydrophobicContact CB-CG2 4.25Å; T243-W245 PolarHBondContact OG1-N 3.26Å; T243-W245 PolarHBondContact OG1-O 2.67Å; T243-P247 HydrophobicContact CG2-CB 3.97Å; T243-P252 HydrophobicContact CG2-CB 3.64Å; T243-P252 HydrophobicContact CG2-CG 3.91Å
244G85.2Confident92.7Very high55 Ų5559.6 Ų59.657%0.56734%0.341SS*.SBendtrans-98.2-22.8176.800000112.6M226M226-G244 PolarHBondContact SD-N 2.93Å
245W82.4Confident92.7Very high94 Ų9454.4 Ų54.436%0.35632%0.317SS..SBendtrans-113.6118.4-171.3-176.482000111.8T243 R249 M279T243-W245 PolarHBondContact OG1-N 3.26Å; T243-W245 PolarHBondContact OG1-O 2.67Å; W245-R249 PolarHBondContact O-NH2 3.44Å; W245-R249 VanDerWaalsContact O-NH2 3.12Å; W245-M279 HydrophobicContact CH2-CG 4.07Å; W245-M279 HydrophobicContact CZ2-CG 4.16Å; W245-M279 HydrophobicContact CZ2-SD 4.32Å
246R82.4Confident92.9Very high110 Ų11050.2 Ų50.242%0.41527%0.273SS..  trans48.665.7-179.5-64.3-173.9166.4-148.2-10.4112.3S248 R249 M279R246-S248 PolarHBondContact O-N 3.16Å; R246-S248 VanDerWaalsContact O-N 3.17Å; R246-R249 HydrophobicContact CB-CG 4.03Å; R246-R249 VanDerWaalsContact O-CG 3.23Å; R246-R249 WeakPolarHBondContact O-CG 3.28Å; R246-R249 PolarHBondContact O-N 2.89Å; R246-R249 PolarHBondContact O-NE 3.07Å; R246-R249 VanDerWaalsContact O-NE 3.12Å; R246-M279 PolarHBondContact NH1-O 2.9Å
247P85.7Confident93.1Very high90 Ų9048.4 Ų48.458%0.58426%0.255SS*.THydrogen-bonded Turntrans-67.6-13.2-179.429.1-36.4000113.8T243 R249T243-P247 HydrophobicContact CG2-CB 3.97Å; P247-R249 PolarHBondContact O-N 3.37Å
248S87.2Confident93.2Very high102 Ų10243.1 Ų43.171%0.71323%0.232SC*.THydrogen-bonded Turntrans-75.3-3.9174.856.80000114R246R246-S248 PolarHBondContact O-N 3.16Å; R246-S248 VanDerWaalsContact O-N 3.17Å
249R91.4Very high93.2Very high14 Ų1442.8 Ų42.85%0.05323%0.23CC..SBendtrans-62.5139.7172.3-67.7178.5-70151.30109.5E229 W245 R246 P247 F251 P252 G280 F281E229-R249 IonicContact OE2-NH2 3.88Å; W245-R249 PolarHBondContact O-NH2 3.44Å; W245-R249 VanDerWaalsContact O-NH2 3.12Å; R246-R249 HydrophobicContact CB-CG 4.03Å; R246-R249 VanDerWaalsContact O-CG 3.23Å; R246-R249 WeakPolarHBondContact O-CG 3.28Å; R246-R249 PolarHBondContact O-N 2.89Å; R246-R249 PolarHBondContact O-NE 3.07Å; R246-R249 VanDerWaalsContact O-NE 3.12Å; P247-R249 PolarHBondContact O-N 3.37Å; R249-F251 VanDerWaalsContact C-N 3.28Å; R249-F251 PolarHBondContact O-N 2.93Å; R249-P252 HydrophobicContact CB-CB 3.98Å; R249-P252 VanDerWaalsContact O-CD 3.3Å; R249-P252 WeakPolarHBondContact O-CD 3.48Å; R249-G280 WeakPolarHBondContact CD-O 3.24Å; R249-G280 PolarHBondContact NH1-O 2.76Å; R249-F281 HydrophobicContact CB-CE1 4.2Å; R249-F281 HydrophobicContact CB-CZ 4.36Å; R249-F281 HydrophobicContact CG-CD1 4.09Å; R249-F281 HydrophobicContact CG-CD2 3.96Å; R249-F281 HydrophobicContact CG-CE1 3.77Å; R249-F281 HydrophobicContact CG-CE2 3.63Å; R249-F281 HydrophobicContact CG-CG 4.19Å; R249-F281 HydrophobicContact CG-CZ 3.53Å
250P92.7Very high93.3Very high50 Ų5039.5 Ų39.533%0.32521%0.21SC..SBendtrans-61.5-35.9178.4-33.845000113.6
251F96.3Very high93.4Very high7 Ų733.5 Ų33.53%0.03119%0.189CC..SBendtrans-127.185.3171-59.5-88000108R249 M253 S284 L287 K288 V291 V293 L296R249-F251 VanDerWaalsContact C-N 3.28Å; R249-F251 PolarHBondContact O-N 2.93Å; F251-M253 HydrophobicContact CB-CG 4.39Å; F251-M253 PolarHBondContact O-N 2.99Å; F251-S284 PolarHBondContact N-OG 2.89Å; F251-S284 PolarHBondContact O-OG 3.12Å; F251-L287 HydrophobicContact CB-CD1 3.72Å; F251-L287 HydrophobicContact CD1-CB 4.22Å; F251-L287 HydrophobicContact CD1-CD1 3.9Å; F251-L287 HydrophobicContact CD2-CB 3.6Å; F251-L287 HydrophobicContact CD2-CD1 4.31Å; F251-L287 HydrophobicContact CE1-CB 4.33Å; F251-L287 HydrophobicContact CE2-CB 3.74Å; F251-L287 HydrophobicContact CG-CB 3.86Å; F251-L287 HydrophobicContact CG-CD1 3.71Å; F251-L287 HydrophobicContact CG-CG 4.46Å; F251-L287 HydrophobicContact CZ-CB 4.11Å; F251-K288 HydrophobicContact CE2-CG 4.09Å; F251-V291 HydrophobicContact CE1-CG2 4.29Å; F251-V291 HydrophobicContact CZ-CG2 4.31Å; F251-V291 WeakPolarHBondContact CZ-O 3.27Å; F251-V293 HydrophobicContact CD1-CG2 4.42Å; F251-V293 HydrophobicContact CE1-CG2 3.98Å; F251-V293 HydrophobicContact CZ-CG2 4.43Å; F251-L296 HydrophobicContact CD1-CD1 4.22Å; F251-L296 HydrophobicContact CE1-CD1 4.16Å; F251-L296 HydrophobicContact CE1-CD2 4.2Å; F251-L296 HydrophobicContact CE1-CG 4.46Å
252P94.6Very high93.4Very high5 Ų532 Ų323%0.03218%0.183CC..  trans-81.471.9-177.833.9-32.5000110.2F241 T243 R249F241-P252 HydrophobicContact CB-CG 3.47Å; F241-P252 VanDerWaalsContact CB-CG 3.47Å; F241-P252 HydrophobicContact CD1-CG 4.14Å; F241-P252 VanDerWaalsContact CD2-CD 3.42Å; F241-P252 HydrophobicContact CD2-CG 3.55Å; F241-P252 HydrophobicContact CE2-CG 4.31Å; F241-P252 HydrophobicContact CG-CG 3.46Å; F241-P252 VanDerWaalsContact CG-CG 3.46Å; T243-P252 HydrophobicContact CG2-CB 3.64Å; T243-P252 HydrophobicContact CG2-CG 3.91Å; R249-P252 HydrophobicContact CB-CB 3.98Å; R249-P252 VanDerWaalsContact O-CD 3.3Å; R249-P252 WeakPolarHBondContact O-CD 3.48Å
253M94.4Very high93.3Very high9 Ų935 Ų354%0.04419%0.191CC..SBendtrans-145.2162.8-179.761.9-170.6-59.700110.1V217 F241 F251 G257 F258 E283 L287V217-M253 HydrophobicContact CB-CE 3.88Å; V217-M253 HydrophobicContact CG1-CE 3.67Å; V217-M253 HydrophobicContact CG1-SD 3.97Å; F241-M253 HydrophobicContact CE1-SD 4.11Å; F251-M253 HydrophobicContact CB-CG 4.39Å; F251-M253 PolarHBondContact O-N 2.99Å; M253-G257 WeakPolarHBondContact CE-O 3.1Å; M253-F258 HydrophobicContact CE-CB 3.68Å; M253-F258 HydrophobicContact CE-CD1 4.07Å; M253-F258 HydrophobicContact CE-CG 4.35Å; M253-F258 HydrophobicContact SD-CB 4.47Å; M253-F258 HydrophobicContact SD-CD1 4.44Å; M253-E283 WeakPolarHBondContact O-CG 3.44Å; M253-L287 HydrophobicContact SD-CD1 4.28Å
254D96.1Very high93.3Very high21 Ų2135 Ų3511%0.11219%0.19CC..  trans-83.8156.4178.6-177.9-99.6000112.2V220 V223 A256 G257 H310V220-D254 HydrophobicContact CB-CB 4.46Å; V220-D254 HydrophobicContact CG1-CB 4.3Å; V220-D254 HydrophobicContact CG2-CB 4.3Å; V223-D254 HydrophobicContact CG1-CB 4.39Å; V223-D254 HydrophobicContact CG2-CB 3.76Å; D254-A256 PolarHBondContact O-N 2.54Å; D254-A256 VanDerWaalsContact OD1-CB 3.32Å; D254-A256 WeakPolarHBondContact OD1-CB 3.32Å; D254-A256 PolarHBondContact OD1-N 2.86Å; D254-G257 WeakPolarHBondContact O-CA 3.28Å; D254-G257 PolarHBondContact O-N 2.89Å; D254-H310 IonicContact OD1-CD2 2.73Å; D254-H310 IonicContact OD2-CD2 2.68Å; D254-H310 PolarHBondContact OD2-CD2 2.9Å; D254-H310 VanDerWaalsContact OD2-CD2 3.23Å; D254-H310 IonicContact OD2-NE2 3.52Å
255M96.8Very high93.8Very high5 Ų532.6 Ų32.63%0.02516%0.164CC..G310 helixtrans-49.3-40.8175.4-170.165.464.700113.2F194 G257 F258 F273 L282 E283F194-M255 HydrophobicContact CB-CG 3.74Å; F194-M255 HydrophobicContact CB-SD 3.68Å; F194-M255 HydrophobicContact CD2-SD 4.18Å; F194-M255 HydrophobicContact CG-SD 3.99Å; M255-G257 PolarHBondContact O-N 3.06Å; M255-F258 HydrophobicContact SD-CE1 4.2Å; M255-F258 HydrophobicContact SD-CZ 3.94Å; M255-F273 HydrophobicContact CE-CD1 3.97Å; M255-F273 HydrophobicContact CE-CE1 3.27Å; M255-F273 HydrophobicContact CE-CZ 3.64Å; M255-F273 HydrophobicContact SD-CE1 3.63Å; M255-F273 HydrophobicContact SD-CZ 3.45Å; M255-F273 WeakPolarHBondContact SD-CZ 3.34Å; M255-L282 HydrophobicContact CE-CD2 4Å; M255-L282 HydrophobicContact CE-CG 4.25Å; M255-E283 HydrophobicContact CB-CG 4.39Å; M255-E283 HydrophobicContact CE-CG 4.2Å; M255-E283 PolarHBondContact N-OE1 3.02Å
256A97.9Very high94.4Very high1 Ų129.8 Ų29.81%0.00816%0.156CC..G310 helixtrans-74.4-7.9-179.300000113.4Y193 N199 W218 D254 V308Y193-A256 WeakPolarHBondContact CE2-O 3.46Å; Y193-A256 PolarHBondContact OH-O 3.43Å; N199-A256 WeakPolarHBondContact OD1-CB 3.24Å; W218-A256 PolarHBondContact NE1-O 3.27Å; D254-A256 PolarHBondContact O-N 2.54Å; D254-A256 VanDerWaalsContact OD1-CB 3.32Å; D254-A256 WeakPolarHBondContact OD1-CB 3.32Å; D254-A256 PolarHBondContact OD1-N 2.86Å; A256-V308 HydrophobicContact CB-CG2 3.88Å
257G98.4Very high95Very high0 Ų027.9 Ų27.90%016%0.163CC..G310 helixtrans-86.1-4.5-172.300000115.8V217 W218 M253 D254 M255V217-G257 WeakPolarHBondContact CA-O 3.16Å; W218-G257 PolarHBondContact N-O 2.96Å; M253-G257 WeakPolarHBondContact CE-O 3.1Å; D254-G257 WeakPolarHBondContact O-CA 3.28Å; D254-G257 PolarHBondContact O-N 2.89Å; M255-G257 PolarHBondContact O-N 3.06Å
258F98.8Very high95.5Very high0 Ų026.2 Ų26.20%015%0.149CC..EExtended strand (participates in β ladder)trans-141.7158.9-178.367.8-87000113.6Y193 F194 V215 S216 V217 M253 M255 V260 E283 L286 L287Y193-F258 WeakPolarHBondContact CD2-O 3.48Å; Y193-F258 VanDerWaalsContact CE2-O 3.26Å; Y193-F258 WeakPolarHBondContact CE2-O 3.47Å; F194-F258 AromaticContact CD2-CE2 3.95Å; F194-F258 HydrophobicContact CD2-CE2 3.95Å; F194-F258 HydrophobicContact CD2-CZ 4.19Å; F194-F258 HydrophobicContact CE2-CE2 4.12Å; V215-F258 HydrophobicContact CG1-CB 4.22Å; S216-F258 CarbonylContact O-C 3.6Å; S216-F258 WeakPolarHBondContact O-CA 3.31Å; S216-F258 WeakPolarHBondContact O-CB 3.46Å; V217-F258 HydrophobicContact CG1-CB 4.11Å; M253-F258 HydrophobicContact CE-CB 3.68Å; M253-F258 HydrophobicContact CE-CD1 4.07Å; M253-F258 HydrophobicContact CE-CG 4.35Å; M253-F258 HydrophobicContact SD-CB 4.47Å; M253-F258 HydrophobicContact SD-CD1 4.44Å; M255-F258 HydrophobicContact SD-CE1 4.2Å; M255-F258 HydrophobicContact SD-CZ 3.94Å; F258-V260 HydrophobicContact CD2-CG2 3.88Å; F258-V260 HydrophobicContact CE2-CG2 3.92Å; F258-E283 HydrophobicContact CE1-CB 4.06Å; F258-E283 HydrophobicContact CE1-CG 3.97Å; F258-L286 HydrophobicContact CE2-CD2 4.3Å; F258-L286 HydrophobicContact CZ-CD2 4.48Å; F258-L287 HydrophobicContact CD1-CD1 4.18Å; F258-L287 HydrophobicContact CD2-CD2 3.89Å; F258-L287 HydrophobicContact CE1-CD1 4.22Å; F258-L287 HydrophobicContact CE2-CD2 3.92Å; F258-L287 HydrophobicContact CE2-CG 4.35Å; F258-L287 HydrophobicContact CG-CD1 4.36Å; F258-L287 HydrophobicContact CG-CD2 4.4Å; F258-L287 HydrophobicContact CZ-CD1 4.45Å; F258-L287 HydrophobicContact CZ-CD2 4.45Å; F258-L287 HydrophobicContact CZ-CG 4.39Å
259A98.8Very high95.8Very high0 Ų025 Ų250%014%0.139CC..EExtended strand (participates in β ladder)trans-133.8156.7164.400000110.4V191 V192 Y193 M209 V215 S216 W218V191-A259 HydrophobicContact CG1-CB 3.61Å; V192-A259 WeakPolarHBondContact O-CA 3.15Å; Y193-A259 HydrophobicContact CD2-CB 4Å; M209-A259 HydrophobicContact CB-CB 4Å; M209-A259 HydrophobicContact SD-CB 4.36Å; V215-A259 CarbonylContact C-O 3.44Å; V215-A259 VanDerWaalsContact CA-O 3.31Å; V215-A259 WeakPolarHBondContact CA-O 3.41Å; S216-A259 PolarHBondContact N-O 2.95Å; S216-A259 PolarHBondContact O-N 3.11Å; S216-A259 PolarHBondContact OG-O 2.55Å; W218-A259 HydrophobicContact CH2-CB 3.58Å; W218-A259 HydrophobicContact CZ2-CB 4.39Å; W218-A259 HydrophobicContact CZ3-CB 4.37Å
260V98.6Very high96.1Very high1 Ų131.3 Ų31.31%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-121.7136.6-172.4-170.70000109.2V191 V192 V215 F258 L262 L264 V265 L290V191-V260 CarbonylContact C-O 3.58Å; V192-V260 PolarHBondContact N-O 3.2Å; V192-V260 PolarHBondContact O-N 3.38Å; V215-V260 HydrophobicContact CG2-CB 4.5Å; V215-V260 HydrophobicContact CG2-CG1 4.1Å; V215-V260 HydrophobicContact CG2-CG2 4.25Å; F258-V260 HydrophobicContact CD2-CG2 3.88Å; F258-V260 HydrophobicContact CE2-CG2 3.92Å; V260-L262 PolarHBondContact O-N 3.28Å; V260-L264 HydrophobicContact CG1-CB 4.32Å; V260-L264 HydrophobicContact CG1-CD2 4.19Å; V260-V265 HydrophobicContact CB-CG2 4.09Å; V260-V265 HydrophobicContact CG1-CG2 3.61Å; V260-L290 HydrophobicContact CG1-CD1 3.84Å; V260-L290 HydrophobicContact CG2-CD1 4.18Å
261S97.2Very high96.3Very high10 Ų1029.4 Ų29.47%0.0716%0.162CC..EExtended strand (participates in β ladder)trans-58.1131.6169.6169.60000110.9R213 R214 R263 L264 V265R213-S261 WeakPolarHBondContact O-CB 3.45Å; R213-S261 PolarHBondContact O-OG 3.36Å; R213-S261 VanDerWaalsContact O-OG 3.13Å; R214-S261 WeakPolarHBondContact O-CB 3.47Å; R214-S261 PolarHBondContact O-N 3.12Å; S261-R263 VanDerWaalsContact C-N 3.27Å; S261-R263 PolarHBondContact O-N 3.32Å; S261-L264 WeakPolarHBondContact O-CB 2.98Å; S261-L264 PolarHBondContact O-N 3.09Å; S261-V265 PolarHBondContact O-N 3.12Å; S261-V265 VanDerWaalsContact O-N 3.11Å
262L96Very high96.3Very high0 Ų031.8 Ų31.80%018%0.179CC..Hα-helixtrans-56.5-44.5177.1175.462.2000110.8F85 L175 R179 G190 V192 V260 L264 V265 L266F85-L262 HydrophobicContact CD2-CD2 4.2Å; F85-L262 HydrophobicContact CE2-CD2 3.69Å; F85-L262 HydrophobicContact CZ-CD2 4.43Å; L175-L262 HydrophobicContact CD2-CD1 4.32Å; R179-L262 HydrophobicContact CG-CD1 4.46Å; R179-L262 HydrophobicContact CG-CD2 4.16Å; G190-L262 WeakPolarHBondContact O-CB 3.35Å; G190-L262 PolarHBondContact O-N 3.04Å; V192-L262 HydrophobicContact CG2-CB 4.34Å; V192-L262 HydrophobicContact CG2-CD1 3.96Å; V260-L262 PolarHBondContact O-N 3.28Å; L262-L264 PolarHBondContact O-N 2.92Å; L262-V265 WeakPolarHBondContact O-CB 2.88Å; L262-V265 PolarHBondContact O-N 3.17Å; L262-L266 HydrophobicContact CD1-CD1 4.27Å; L262-L266 HydrophobicContact CD1-CD2 4.36Å; L262-L266 HydrophobicContact CD1-CG 4.1Å; L262-L266 HydrophobicContact CG-CD1 4.03Å; L262-L266 HydrophobicContact CG-CG 4.28Å; L262-L266 WeakPolarHBondContact O-CG 3.3Å; L262-L266 PolarHBondContact O-N 3.2Å
263R93.6Very high96.4Very high139 Ų13931.7 Ų31.753%0.52518%0.178SC..Hα-helixtrans-53.4-40.2175-178.6176.1174.9161.50.6112.4D185 Q188 S261 L266 A267D185-R263 IonicContact OD1-NH1 3.54Å; D185-R263 PolarHBondContact OD1-NH1 2.96Å; Q188-R263 HydrophobicContact CB-CB 4.47Å; Q188-R263 PolarHBondContact O-N 3.24Å; S261-R263 VanDerWaalsContact C-N 3.27Å; S261-R263 PolarHBondContact O-N 3.32Å; R263-L266 PolarHBondContact O-N 3.41Å; R263-A267 VanDerWaalsContact O-CB 3.27Å; R263-A267 WeakPolarHBondContact O-CB 3.42Å; R263-A267 PolarHBondContact O-N 3.12Å
264L95.4Very high96.4Very high22 Ų2235 Ų3512%0.11520%0.196CC..Hα-helixtrans-70.1-38.5179.1-169.166.5000111.8R214 V215 V260 S261 L262 L266 A267 N268 L290 V291R214-L264 HydrophobicContact CB-CD2 4.33Å; V215-L264 HydrophobicContact CG2-CD2 3.99Å; V260-L264 HydrophobicContact CG1-CB 4.32Å; V260-L264 HydrophobicContact CG1-CD2 4.19Å; S261-L264 WeakPolarHBondContact O-CB 2.98Å; S261-L264 PolarHBondContact O-N 3.09Å; L262-L264 PolarHBondContact O-N 2.92Å; L264-L266 VanDerWaalsContact C-N 3.34Å; L264-A267 PolarHBondContact O-N 2.64Å; L264-N268 WeakPolarHBondContact CD1-ND2 3.41Å; L264-N268 PolarHBondContact O-N 3.15Å; L264-N268 PolarHBondContact O-ND2 3.11Å; L264-L290 HydrophobicContact CD2-CB 4.02Å; L264-L290 HydrophobicContact CG-CB 4.46Å; L264-L290 HydrophobicContact CG-CD2 4.19Å; L264-V291 HydrophobicContact CD2-CG1 3.73Å
265V96.1Very high96.1Very high4 Ų434.9 Ų34.92%0.02420%0.2CC..Hα-helixtrans-62-41173.5172.30000111.7L172 R176 V192 V260 S261 L262 N268L172-V265 HydrophobicContact CD2-CG1 3.58Å; L172-V265 HydrophobicContact CD2-CG2 4.38Å; R176-V265 PolarHBondContact NE-O 2.97Å; V192-V265 HydrophobicContact CB-CG2 4.38Å; V192-V265 HydrophobicContact CG2-CG2 4.06Å; V260-V265 HydrophobicContact CB-CG2 4.09Å; V260-V265 HydrophobicContact CG1-CG2 3.61Å; S261-V265 PolarHBondContact O-N 3.12Å; S261-V265 VanDerWaalsContact O-N 3.11Å; L262-V265 WeakPolarHBondContact O-CB 2.88Å; L262-V265 PolarHBondContact O-N 3.17Å; V265-N268 CarbonylContact O-C 3.58Å
266L94.5Very high95.7Very high36 Ų3641 Ų4119%0.18823%0.228CC..Hα-helixtrans-72.4-38.1179.4-62.5178.6000112.2R176 R179 Q188 L262 R263 L264 N268R176-L266 HydrophobicContact CB-CD2 4.49Å; R176-L266 HydrophobicContact CG-CD2 4.16Å; R179-L266 HydrophobicContact CB-CD1 3.77Å; R179-L266 HydrophobicContact CB-CD2 3.99Å; R179-L266 HydrophobicContact CG-CD1 4.42Å; Q188-L266 HydrophobicContact CB-CD1 4.36Å; Q188-L266 HydrophobicContact CG-CD1 4Å; L262-L266 HydrophobicContact CD1-CD1 4.27Å; L262-L266 HydrophobicContact CD1-CD2 4.36Å; L262-L266 HydrophobicContact CD1-CG 4.1Å; L262-L266 HydrophobicContact CG-CD1 4.03Å; L262-L266 HydrophobicContact CG-CG 4.28Å; L262-L266 WeakPolarHBondContact O-CG 3.3Å; L262-L266 PolarHBondContact O-N 3.2Å; R263-L266 PolarHBondContact O-N 3.41Å; L264-L266 VanDerWaalsContact C-N 3.34Å; L266-N268 VanDerWaalsContact C-N 3.26Å; L266-N268 PolarHBondContact O-N 2.97Å
267A93.8Very high95.3Very high69 Ų6941.7 Ų41.757%0.5723%0.234SC*.Hα-helixtrans-69.7-21.8178.100000113.5R263 L264 P269R263-A267 VanDerWaalsContact O-CB 3.27Å; R263-A267 WeakPolarHBondContact O-CB 3.42Å; R263-A267 PolarHBondContact O-N 3.12Å; L264-A267 PolarHBondContact O-N 2.64Å; A267-P269 VanDerWaalsContact C-CD 3.48Å; A267-P269 VanDerWaalsContact O-CD 3.31Å; A267-P269 WeakPolarHBondContact O-CD 3.46Å
268N96.3Very high94.8Very high55 Ų5545.5 Ų45.529%0.29426%0.259SS..  trans-119.774.3-179.9-60.5-81.3000110R176 L264 V265 L266 D270 A271 L290R176-N268 PolarHBondContact NH2-O 3.19Å; L264-N268 WeakPolarHBondContact CD1-ND2 3.41Å; L264-N268 PolarHBondContact O-N 3.15Å; L264-N268 PolarHBondContact O-ND2 3.11Å; V265-N268 CarbonylContact O-C 3.58Å; L266-N268 VanDerWaalsContact C-N 3.26Å; L266-N268 PolarHBondContact O-N 2.97Å; N268-D270 PolarHBondContact O-N 2.95Å; N268-A271 HydrophobicContact CB-CB 4.04Å; N268-A271 WeakPolarHBondContact O-CB 3.38Å; N268-A271 PolarHBondContact O-N 3.38Å; N268-L290 HydrophobicContact CB-CD2 3.83Å
269P94.8Very high94.1Very high76 Ų7649.3 Ų49.349%0.49428%0.278SS..THydrogen-bonded Turntrans-64.6-23.2-174.326.4-35.5000113.7R176 A267R176-P269 PolarHBondContact NH1-O 3.34Å; R176-P269 PolarHBondContact NH2-O 3.03Å; A267-P269 VanDerWaalsContact C-CD 3.48Å; A267-P269 VanDerWaalsContact O-CD 3.31Å; A267-P269 WeakPolarHBondContact O-CD 3.46Å
270D96Very high93.5Very high148 Ų14850 Ų5079%0.79129%0.285SS*.THydrogen-bonded Turntrans-85.7-14.7-179.4-57.6-41.5000113.1N268 C272N268-D270 PolarHBondContact O-N 2.95Å; D270-C272 PolarHBondContact O-N 2.91Å; D270-C272 VanDerWaalsContact O-N 3.13Å
271A97.1Very high93.2Very high9 Ų952 Ų527%0.07429%0.294CS..  trans-69.5110.2179.700000110.4R176 N268 L286 L290R176-A271 PolarHBondContact NH2-O 2.61Å; N268-A271 HydrophobicContact CB-CB 4.04Å; N268-A271 WeakPolarHBondContact O-CB 3.38Å; N268-A271 PolarHBondContact O-N 3.38Å; A271-L286 HydrophobicContact CB-CD1 4.2Å; A271-L290 HydrophobicContact CB-CD2 3.64Å; A271-L290 HydrophobicContact CB-CG 4.02Å
272C97.3Very high93Very high58 Ų5852.4 Ų52.439%0.39230%0.295SS..  trans-139.9167.8179.1600000110.9D270D270-C272 PolarHBondContact O-N 2.91Å; D270-C272 VanDerWaalsContact O-N 3.13Å
273F97.3Very high93.1Very high3 Ų353.5 Ų53.51%0.01330%0.3CS..  trans-74.1127.9170.1-66.9-74.9000109.9V165 R168 N169 L172 F194 M255 L282 L286V165-F273 HydrophobicContact CG1-CB 3.86Å; R168-F273 HydrophobicContact CB-CD2 3.65Å; R168-F273 HydrophobicContact CB-CE2 3.62Å; R168-F273 HydrophobicContact CG-CE2 4.26Å; N169-F273 PolarHBondContact ND2-O 3.23Å; N169-F273 WeakPolarHBondContact OD1-CB 3.15Å; N169-F273 PolarHBondContact OD1-N 3.11Å; L172-F273 HydrophobicContact CD1-CD2 4.31Å; L172-F273 HydrophobicContact CD1-CE2 4.29Å; F194-F273 AromaticContact CD1-CE2 3.9Å; F194-F273 HydrophobicContact CD1-CE2 3.9Å; F194-F273 HydrophobicContact CD1-CZ 4.15Å; F194-F273 HydrophobicContact CD2-CE2 4.41Å; F194-F273 AromaticContact CD2-CZ 3.96Å; F194-F273 HydrophobicContact CD2-CZ 3.96Å; F194-F273 AromaticContact CE1-CE2 3.51Å; F194-F273 HydrophobicContact CE1-CE2 3.51Å; F194-F273 HydrophobicContact CE1-CZ 4.03Å; F194-F273 HydrophobicContact CE2-CE2 4.07Å; F194-F273 AromaticContact CE2-CZ 3.84Å; F194-F273 HydrophobicContact CE2-CZ 3.84Å; F194-F273 HydrophobicContact CG-CE2 4.33Å; F194-F273 HydrophobicContact CG-CZ 4.1Å; F194-F273 AromaticContact CZ-CE2 3.59Å; F194-F273 HydrophobicContact CZ-CE2 3.59Å; F194-F273 AromaticContact CZ-CZ 3.86Å; F194-F273 HydrophobicContact CZ-CZ 3.86Å; M255-F273 HydrophobicContact CE-CD1 3.97Å; M255-F273 HydrophobicContact CE-CE1 3.27Å; M255-F273 HydrophobicContact CE-CZ 3.64Å; M255-F273 HydrophobicContact SD-CE1 3.63Å; M255-F273 HydrophobicContact SD-CZ 3.45Å; M255-F273 WeakPolarHBondContact SD-CZ 3.34Å; F273-L282 HydrophobicContact CB-CD1 3.84Å; F273-L282 HydrophobicContact CD1-CD1 4.08Å; F273-L282 HydrophobicContact CD1-CG 3.89Å; F273-L282 HydrophobicContact CG-CD1 4.36Å; F273-L286 HydrophobicContact CD1-CB 3.81Å; F273-L286 HydrophobicContact CD1-CD2 4.43Å; F273-L286 HydrophobicContact CE1-CB 3.73Å; F273-L286 HydrophobicContact CE1-CD2 3.72Å; F273-L286 HydrophobicContact CE1-CG 4.33Å; F273-L286 HydrophobicContact CE2-CD2 3.81Å; F273-L286 HydrophobicContact CG-CB 4.39Å; F273-L286 HydrophobicContact CZ-CB 4.27Å; F273-L286 HydrophobicContact CZ-CD2 3.37Å; F273-L286 HydrophobicContact CZ-CG 4.38Å
274D94.6Very high93.2Very high79 Ų7946.9 Ų46.942%0.42228%0.275SS..  trans-87.1114.2176-179.76.7000110.3E276 A277 L282 S285D274-E276 PolarHBondContact O-N 3.36Å; D274-E276 PolarHBondContact OD1-N 2.85Å; D274-A277 HydrophobicContact CB-CB 4.11Å; D274-A277 WeakPolarHBondContact O-CB 3.16Å; D274-A277 PolarHBondContact O-N 2.91Å; D274-A277 VanDerWaalsContact O-N 3.16Å; D274-L282 WeakPolarHBondContact O-CD1 3.08Å; D274-S285 PolarHBondContact N-OG 3.42Å
275G88.6Confident93.2Very high18 Ų1847.2 Ų47.219%0.18628%0.279CS..THydrogen-bonded Turntrans-69.9-17.2178.200000114.1
276E89.4Confident93.3Very high133 Ų13347.2 Ų47.262%0.62128%0.279SS*.THydrogen-bonded Turntrans-94.81.5174.8-56-58.4140.100111.9R150 D274R150-E276 IonicContact CZ-OE1 3.31Å; R150-E276 VanDerWaalsContact CZ-OE1 3.31Å; R150-E276 IonicContact NE-OE1 3.26Å; R150-E276 PolarHBondContact NE-OE1 3.04Å; R150-E276 IonicContact NH2-OE1 2.67Å; R150-E276 PolarHBondContact NH2-OE1 2.78Å; D274-E276 PolarHBondContact O-N 3.36Å; D274-E276 PolarHBondContact OD1-N 2.85Å
277A88.8Confident93.5Very high16 Ų1645.5 Ų45.513%0.13227%0.27CS..SBendtrans-58139.8177.600000110.9D274 F281D274-A277 HydrophobicContact CB-CB 4.11Å; D274-A277 WeakPolarHBondContact O-CB 3.16Å; D274-A277 PolarHBondContact O-N 2.91Å; D274-A277 VanDerWaalsContact O-N 3.16Å; A277-F281 HydrophobicContact CB-CB 4.42Å
278P87.8Confident93.6Very high80 Ų8048.4 Ų48.452%0.51927%0.27SS..PPolyproline II helixtrans-55.4150.7174.8-24.833.2000111.8G280 F281P278-G280 PolarHBondContact O-N 2.83Å; P278-G280 VanDerWaalsContact O-N 3.11Å; P278-F281 HydrophobicContact CB-CD2 3.92Å; P278-F281 HydrophobicContact CB-CG 4.41Å; P278-F281 WeakPolarHBondContact O-CB 3.45Å; P278-F281 PolarHBondContact O-N 3.2Å
279M84.7Confident93.6Very high79 Ų7947.5 Ų47.539%0.38927%0.274SS..THydrogen-bonded Turntrans-48.7122.9177.7-170.5-175.2-64.500111.4W159 W245 R246W159-M279 WeakPolarHBondContact O-CE 3.37Å; W245-M279 HydrophobicContact CH2-CG 4.07Å; W245-M279 HydrophobicContact CZ2-CG 4.16Å; W245-M279 HydrophobicContact CZ2-SD 4.32Å; R246-M279 PolarHBondContact NH1-O 2.9Å
280G85.1Confident93.7Very high15 Ų1544.4 Ų44.416%0.15525%0.253CS..THydrogen-bonded Turntrans90.5-6.5-178.600000116.3R249 P278R249-G280 WeakPolarHBondContact CD-O 3.24Å; R249-G280 PolarHBondContact NH1-O 2.76Å; P278-G280 PolarHBondContact O-N 2.83Å; P278-G280 VanDerWaalsContact O-N 3.11Å
281F92.4Very high93.8Very high44 Ų4437.8 Ų37.819%0.19322%0.218CC..  trans-100.37.6-177.9-73.1-106.5000112.8R249 A277 P278 E283 S284 S285R249-F281 HydrophobicContact CB-CE1 4.2Å; R249-F281 HydrophobicContact CB-CZ 4.36Å; R249-F281 HydrophobicContact CG-CD1 4.09Å; R249-F281 HydrophobicContact CG-CD2 3.96Å; R249-F281 HydrophobicContact CG-CE1 3.77Å; R249-F281 HydrophobicContact CG-CE2 3.63Å; R249-F281 HydrophobicContact CG-CG 4.19Å; R249-F281 HydrophobicContact CG-CZ 3.53Å; A277-F281 HydrophobicContact CB-CB 4.42Å; P278-F281 HydrophobicContact CB-CD2 3.92Å; P278-F281 HydrophobicContact CB-CG 4.41Å; P278-F281 WeakPolarHBondContact O-CB 3.45Å; P278-F281 PolarHBondContact O-N 3.2Å; F281-E283 PolarHBondContact O-N 3.27Å; F281-S284 CarbonylContact O-C 3.51Å; F281-S284 WeakPolarHBondContact O-CB 3.35Å; F281-S284 PolarHBondContact O-N 2.89Å; F281-S285 PolarHBondContact O-N 3.1Å
282L94.4Very high93.8Very high18 Ų1840.7 Ų40.79%0.09424%0.235CC..Hα-helixtrans-61-49.2-177.1-174.664.1000111.1P162 V165 M255 F273 D274 S284 S285P162-L282 HydrophobicContact CB-CD2 4.17Å; V165-L282 HydrophobicContact CG1-CD1 4.24Å; V165-L282 HydrophobicContact CG2-CD1 3.86Å; V165-L282 HydrophobicContact CG2-CD2 3.93Å; M255-L282 HydrophobicContact CE-CD2 4Å; M255-L282 HydrophobicContact CE-CG 4.25Å; F273-L282 HydrophobicContact CB-CD1 3.84Å; F273-L282 HydrophobicContact CD1-CD1 4.08Å; F273-L282 HydrophobicContact CD1-CG 3.89Å; F273-L282 HydrophobicContact CG-CD1 4.36Å; D274-L282 WeakPolarHBondContact O-CD1 3.08Å; L282-S284 VanDerWaalsContact C-N 3.3Å; L282-S284 PolarHBondContact O-N 3.37Å; L282-S285 WeakPolarHBondContact O-CB 3.49Å; L282-S285 PolarHBondContact O-N 3.32Å; L282-S285 VanDerWaalsContact O-N 3.1Å; L282-S285 PolarHBondContact O-OG 3.24Å
283E96.3Very high93.7Very high22 Ų2240 Ų4010%0.10323%0.229CC..Hα-helixtrans-59.8-44.1176.6-6178.2-172.300110.7M253 M255 F258 F281 S285 L286 L287M253-E283 WeakPolarHBondContact O-CG 3.44Å; M255-E283 HydrophobicContact CB-CG 4.39Å; M255-E283 HydrophobicContact CE-CG 4.2Å; M255-E283 PolarHBondContact N-OE1 3.02Å; F258-E283 HydrophobicContact CE1-CB 4.06Å; F258-E283 HydrophobicContact CE1-CG 3.97Å; F281-E283 PolarHBondContact O-N 3.27Å; E283-S285 VanDerWaalsContact C-N 3.26Å; E283-S285 PolarHBondContact O-N 2.9Å; E283-L286 PolarHBondContact O-N 3.05Å; E283-L287 WeakPolarHBondContact O-CB 3.23Å; E283-L287 WeakPolarHBondContact O-CG 3.23Å; E283-L287 PolarHBondContact O-N 3.42Å
284S96.4Very high93.6Very high1 Ų144.7 Ų44.71%0.00725%0.254CS..Hα-helixtrans-63.1-30.7177.2-69.40000112.8F251 F281 L282 K288F251-S284 PolarHBondContact N-OG 2.89Å; F251-S284 PolarHBondContact O-OG 3.12Å; F281-S284 CarbonylContact O-C 3.51Å; F281-S284 WeakPolarHBondContact O-CB 3.35Å; F281-S284 PolarHBondContact O-N 2.89Å; L282-S284 VanDerWaalsContact C-N 3.3Å; L282-S284 PolarHBondContact O-N 3.37Å; S284-K288 WeakPolarHBondContact O-CB 3.11Å; S284-K288 WeakPolarHBondContact O-CD 3.25Å; S284-K288 WeakPolarHBondContact O-CG 3.15Å; S284-K288 PolarHBondContact O-N 3.36Å; S284-K288 VanDerWaalsContact O-N 3.15Å
285S96.5Very high93.7Very high29 Ų2943.7 Ų43.720%0.20325%0.247CC..Hα-helixtrans-65-39.9-18072.80000112D274 F281 L282 E283D274-S285 PolarHBondContact N-OG 3.42Å; F281-S285 PolarHBondContact O-N 3.1Å; L282-S285 WeakPolarHBondContact O-CB 3.49Å; L282-S285 PolarHBondContact O-N 3.32Å; L282-S285 VanDerWaalsContact O-N 3.1Å; L282-S285 PolarHBondContact O-OG 3.24Å; E283-S285 VanDerWaalsContact C-N 3.26Å; E283-S285 PolarHBondContact O-N 2.9Å
286L97.9Very high94.2Very high4 Ų443 Ų432%0.02124%0.239CC..Hα-helixtrans-73.5-53.5173.7178.168.5000111.3L172 F194 F258 A271 F273 E283 K288 G289 L290L172-L286 HydrophobicContact CD1-CD1 4.21Å; F194-L286 HydrophobicContact CE2-CD2 3.69Å; F194-L286 HydrophobicContact CZ-CD2 3.95Å; F258-L286 HydrophobicContact CE2-CD2 4.3Å; F258-L286 HydrophobicContact CZ-CD2 4.48Å; A271-L286 HydrophobicContact CB-CD1 4.2Å; F273-L286 HydrophobicContact CD1-CB 3.81Å; F273-L286 HydrophobicContact CD1-CD2 4.43Å; F273-L286 HydrophobicContact CE1-CB 3.73Å; F273-L286 HydrophobicContact CE1-CD2 3.72Å; F273-L286 HydrophobicContact CE1-CG 4.33Å; F273-L286 HydrophobicContact CE2-CD2 3.81Å; F273-L286 HydrophobicContact CG-CB 4.39Å; F273-L286 HydrophobicContact CZ-CB 4.27Å; F273-L286 HydrophobicContact CZ-CD2 3.37Å; F273-L286 HydrophobicContact CZ-CG 4.38Å; E283-L286 PolarHBondContact O-N 3.05Å; L286-K288 VanDerWaalsContact C-N 3.29Å; L286-K288 PolarHBondContact O-N 3.44Å; L286-G289 PolarHBondContact O-N 2.86Å; L286-L290 HydrophobicContact CD1-CD1 4.06Å; L286-L290 HydrophobicContact CD2-CD1 4.3Å; L286-L290 HydrophobicContact CG-CD1 3.81Å
287L97.9Very high94.7Very high0 Ų038.4 Ų38.40%022%0.217CC..Hα-helixtrans-63.7-32.1-168.8-71.9175000113.4V215 F251 M253 F258 E283 G289 L290 V291V215-L287 HydrophobicContact CG1-CD2 3.86Å; V215-L287 HydrophobicContact CG2-CD2 4.23Å; F251-L287 HydrophobicContact CB-CD1 3.72Å; F251-L287 HydrophobicContact CD1-CB 4.22Å; F251-L287 HydrophobicContact CD1-CD1 3.9Å; F251-L287 HydrophobicContact CD2-CB 3.6Å; F251-L287 HydrophobicContact CD2-CD1 4.31Å; F251-L287 HydrophobicContact CE1-CB 4.33Å; F251-L287 HydrophobicContact CE2-CB 3.74Å; F251-L287 HydrophobicContact CG-CB 3.86Å; F251-L287 HydrophobicContact CG-CD1 3.71Å; F251-L287 HydrophobicContact CG-CG 4.46Å; F251-L287 HydrophobicContact CZ-CB 4.11Å; M253-L287 HydrophobicContact SD-CD1 4.28Å; F258-L287 HydrophobicContact CD1-CD1 4.18Å; F258-L287 HydrophobicContact CD2-CD2 3.89Å; F258-L287 HydrophobicContact CE1-CD1 4.22Å; F258-L287 HydrophobicContact CE2-CD2 3.92Å; F258-L287 HydrophobicContact CE2-CG 4.35Å; F258-L287 HydrophobicContact CG-CD1 4.36Å; F258-L287 HydrophobicContact CG-CD2 4.4Å; F258-L287 HydrophobicContact CZ-CD1 4.45Å; F258-L287 HydrophobicContact CZ-CD2 4.45Å; F258-L287 HydrophobicContact CZ-CG 4.39Å; E283-L287 WeakPolarHBondContact O-CB 3.23Å; E283-L287 WeakPolarHBondContact O-CG 3.23Å; E283-L287 PolarHBondContact O-N 3.42Å; L287-G289 PolarHBondContact O-N 3.14Å; L287-L290 PolarHBondContact O-N 2.92Å; L287-V291 HydrophobicContact CD2-CG2 4.47Å; L287-V291 PolarHBondContact O-N 2.98Å
288K96.7Very high95.1Very high129 Ų12938.8 Ų38.856%0.56122%0.218SC*.THydrogen-bonded Turntrans-59.1-29.6173.6-79.8175179.2-1760113.7F251 S284 L286 L290F251-K288 HydrophobicContact CE2-CG 4.09Å; S284-K288 WeakPolarHBondContact O-CB 3.11Å; S284-K288 WeakPolarHBondContact O-CD 3.25Å; S284-K288 WeakPolarHBondContact O-CG 3.15Å; S284-K288 PolarHBondContact O-N 3.36Å; S284-K288 VanDerWaalsContact O-N 3.15Å; L286-K288 VanDerWaalsContact C-N 3.29Å; L286-K288 PolarHBondContact O-N 3.44Å; K288-L290 VanDerWaalsContact C-N 3.26Å
289G95.9Very high95.6Very high37 Ų3736.2 Ų36.238%0.38120%0.199SC..THydrogen-bonded Turntrans-82.5-0.5176.300000113.7L286 L287L286-G289 PolarHBondContact O-N 2.86Å; L287-G289 PolarHBondContact O-N 3.14Å
290L97.4Very high96.3Very high10 Ų1032.5 Ų32.55%0.05218%0.181CC..THydrogen-bonded Turntrans-124.1-45.6-170.4-62.5175.1000113.5V260 L264 N268 A271 L286 L287 K288V260-L290 HydrophobicContact CG1-CD1 3.84Å; V260-L290 HydrophobicContact CG2-CD1 4.18Å; L264-L290 HydrophobicContact CD2-CB 4.02Å; L264-L290 HydrophobicContact CG-CB 4.46Å; L264-L290 HydrophobicContact CG-CD2 4.19Å; N268-L290 HydrophobicContact CB-CD2 3.83Å; A271-L290 HydrophobicContact CB-CD2 3.64Å; A271-L290 HydrophobicContact CB-CG 4.02Å; L286-L290 HydrophobicContact CD1-CD1 4.06Å; L286-L290 HydrophobicContact CD2-CD1 4.3Å; L286-L290 HydrophobicContact CG-CD1 3.81Å; L287-L290 PolarHBondContact O-N 2.92Å; K288-L290 VanDerWaalsContact C-N 3.26Å
291V97.7Very high96.9Very high9 Ų935.9 Ų35.96%0.05520%0.196CC..  trans-150.2164-170.8-67.90000112.8R214 V215 F251 L264 L287 E295 L296R214-V291 HydrophobicContact CB-CG1 4.14Å; V215-V291 HydrophobicContact CB-CG1 4.03Å; V215-V291 HydrophobicContact CB-CG2 3.97Å; V215-V291 HydrophobicContact CG1-CG2 4.44Å; V215-V291 HydrophobicContact CG2-CB 4.25Å; V215-V291 HydrophobicContact CG2-CG1 3.49Å; V215-V291 VanDerWaalsContact CG2-CG1 3.49Å; V215-V291 HydrophobicContact CG2-CG2 3.68Å; F251-V291 HydrophobicContact CE1-CG2 4.29Å; F251-V291 HydrophobicContact CZ-CG2 4.31Å; F251-V291 WeakPolarHBondContact CZ-O 3.27Å; L264-V291 HydrophobicContact CD2-CG1 3.73Å; L287-V291 HydrophobicContact CD2-CG2 4.47Å; L287-V291 PolarHBondContact O-N 2.98Å; V291-E295 WeakPolarHBondContact CA-OE2 3.45Å; V291-E295 HydrophobicContact CB-CB 4.27Å; V291-E295 HydrophobicContact CG1-CB 4.46Å; V291-L296 HydrophobicContact CG2-CD2 3.87Å
292T96.9Very high97.1Very high70 Ų7037.9 Ų37.943%0.42921%0.208SC..  trans-99.3168.5161.457.20000111.6D294 E295T292-D294 VanDerWaalsContact C-N 3.31Å; T292-D294 WeakPolarHBondContact CB-OD1 3.23Å; T292-D294 PolarHBondContact O-N 3.36Å; T292-D294 PolarHBondContact OG1-OD1 3.05Å; T292-E295 PolarHBondContact N-OE2 3.25Å; T292-E295 VanDerWaalsContact N-OE2 3.11Å; T292-E295 PolarHBondContact O-N 3.07Å; T292-E295 WeakPolarHBondContact OG1-CG 3.4Å
293V95.8Very high97.3Very high45 Ų4537.5 Ų37.527%0.27321%0.207SC..G310 helixtrans-62.3-36.2-177.3174.90000112.4V238 F241 F251 E295 L296V238-V293 HydrophobicContact CB-CG1 4.38Å; V238-V293 HydrophobicContact CG1-CG1 4Å; F241-V293 HydrophobicContact CE2-CG1 4.1Å; F241-V293 HydrophobicContact CE2-CG2 4.33Å; F251-V293 HydrophobicContact CD1-CG2 4.42Å; F251-V293 HydrophobicContact CE1-CG2 3.98Å; F251-V293 HydrophobicContact CZ-CG2 4.43Å; V293-E295 PolarHBondContact O-N 3.19Å; V293-L296 HydrophobicContact CG1-CD1 4.31Å; V293-L296 WeakPolarHBondContact O-CB 3.35Å; V293-L296 WeakPolarHBondContact O-CG 3.15Å; V293-L296 PolarHBondContact O-N 3.49Å
294D95.2Very high97.4Very high100 Ų10041.3 Ų41.354%0.53523%0.232SC..G310 helixtrans-71.6-16.8179.660.7-65.9000113.8K237 T292K237-D294 PolarHBondContact NZ-O 3.28Å; T292-D294 VanDerWaalsContact C-N 3.31Å; T292-D294 WeakPolarHBondContact CB-OD1 3.23Å; T292-D294 PolarHBondContact O-N 3.36Å; T292-D294 PolarHBondContact OG1-OD1 3.05Å
295E97Very high97.5Very high58 Ų5845.9 Ų45.927%0.27125%0.252SS..G310 helixtrans-89.2-6.1175.8-66-175.5126.400113.4R214 V291 T292 V293R214-E295 VanDerWaalsContact CZ-CD 3.42Å; R214-E295 IonicContact CZ-OE1 3.7Å; R214-E295 IonicContact CZ-OE2 3.62Å; R214-E295 IonicContact NE-OE1 2.81Å; R214-E295 PolarHBondContact NE-OE1 2.96Å; R214-E295 IonicContact NE-OE2 2.69Å; R214-E295 PolarHBondContact NE-OE2 3.01Å; R214-E295 IonicContact NH1-OE1 2.66Å; R214-E295 IonicContact NH2-OE1 3.23Å; R214-E295 PolarHBondContact NH2-OE1 2.96Å; R214-E295 IonicContact NH2-OE2 3.85Å; R214-E295 PolarHBondContact NH2-OE2 3.23Å; V291-E295 WeakPolarHBondContact CA-OE2 3.45Å; V291-E295 HydrophobicContact CB-CB 4.27Å; V291-E295 HydrophobicContact CG1-CB 4.46Å; T292-E295 PolarHBondContact N-OE2 3.25Å; T292-E295 VanDerWaalsContact N-OE2 3.11Å; T292-E295 PolarHBondContact O-N 3.07Å; T292-E295 WeakPolarHBondContact OG1-CG 3.4Å; V293-E295 PolarHBondContact O-N 3.19Å
296L98.5Very high97.6Very high3 Ų346.4 Ų46.42%0.01625%0.254CS..EExtended strand (participates in β ladder)trans-67.3140.2177.4-61.3176.5000111.3V215 V217 V238 F241 F251 V291 V293 P298V215-L296 HydrophobicContact CB-CD2 3.95Å; V215-L296 HydrophobicContact CG1-CD2 3.7Å; V217-L296 HydrophobicContact CG1-CB 4.3Å; V217-L296 HydrophobicContact CG1-CD1 4.11Å; V217-L296 HydrophobicContact CG1-CD2 3.84Å; V217-L296 HydrophobicContact CG1-CG 4.3Å; V217-L296 HydrophobicContact CG2-CB 4.11Å; V217-L296 HydrophobicContact CG2-CD1 4.49Å; V238-L296 HydrophobicContact CB-CB 4.38Å; V238-L296 HydrophobicContact CB-CD1 4.44Å; V238-L296 HydrophobicContact CG1-CD1 4.33Å; V238-L296 HydrophobicContact CG2-CB 3.92Å; V238-L296 HydrophobicContact CG2-CD1 4.44Å; F241-L296 HydrophobicContact CZ-CD1 3.82Å; F251-L296 HydrophobicContact CD1-CD1 4.22Å; F251-L296 HydrophobicContact CE1-CD1 4.16Å; F251-L296 HydrophobicContact CE1-CD2 4.2Å; F251-L296 HydrophobicContact CE1-CG 4.46Å; V291-L296 HydrophobicContact CG2-CD2 3.87Å; V293-L296 HydrophobicContact CG1-CD1 4.31Å; V293-L296 WeakPolarHBondContact O-CB 3.35Å; V293-L296 WeakPolarHBondContact O-CG 3.15Å; V293-L296 PolarHBondContact O-N 3.49Å; L296-P298 WeakPolarHBondContact O-CD 3.25Å
297E98.6Very high97.6Very high37 Ų3746.8 Ų46.817%0.17326%0.256CS..EExtended strand (participates in β ladder)trans-100.9102177.9-61.2171-147.100109.9R213 R214 V215 S216 V217 K299R213-E297 WeakPolarHBondContact CA-OE1 3.48Å; R213-E297 VanDerWaalsContact CB-OE1 3.31Å; R213-E297 WeakPolarHBondContact CB-OE1 3.45Å; R213-E297 PolarHBondContact N-OE1 2.96Å; R213-E297 PolarHBondContact N-OE2 3.06Å; R214-E297 PolarHBondContact N-OE1 3.2Å; V215-E297 PolarHBondContact O-N 2.97Å; S216-E297 CarbonylContact C-O 3.54Å; S216-E297 VanDerWaalsContact CA-O 3.27Å; S216-E297 WeakPolarHBondContact CA-O 3.43Å; V217-E297 PolarHBondContact N-O 3.33Å; E297-K299 PolarHBondContact O-N 3.27Å; E297-K299 IonicContact OE2-NZ 3.45Å; E297-K299 PolarHBondContact OE2-NZ 2.98Å
298P98.5Very high97.7Very high24 Ų2446.8 Ų46.816%0.15626%0.256CS..EExtended strand (participates in β ladder)trans-66.3130.8176.827.5-33000110.7V233 G236 V238 L296V233-P298 HydrophobicContact CG1-CB 4.14Å; V233-P298 HydrophobicContact CG1-CG 3.92Å; V233-P298 HydrophobicContact CG2-CB 3.52Å; V233-P298 HydrophobicContact CG2-CG 4.18Å; G236-P298 WeakPolarHBondContact O-CG 3.08Å; V238-P298 HydrophobicContact CG2-CB 4.35Å; L296-P298 WeakPolarHBondContact O-CD 3.25Å
299K98.6Very high97.8Very high26 Ų2644.9 Ų44.911%0.11325%0.245CC..  trans-116.2-165.8175.3-57.8-63.9-177.6-177.30110E208 S211 V217 W218 E297 D301 N302 C303E208-K299 HydrophobicContact CB-CB 4.21Å; E208-K299 WeakPolarHBondContact O-CD 3.48Å; E208-K299 WeakPolarHBondContact OE2-CB 3.48Å; S211-K299 PolarHBondContact OG-NZ 3.35Å; V217-K299 PolarHBondContact O-N 3.47Å; W218-K299 HydrophobicContact CE3-CB 3.94Å; W218-K299 HydrophobicContact CE3-CG 4.01Å; W218-K299 HydrophobicContact CZ3-CG 4.26Å; E297-K299 PolarHBondContact O-N 3.27Å; E297-K299 IonicContact OE2-NZ 3.45Å; E297-K299 PolarHBondContact OE2-NZ 2.98Å; K299-D301 VanDerWaalsContact C-N 3.31Å; K299-D301 PolarHBondContact O-N 3.03Å; K299-N302 PolarHBondContact O-N 2.87Å; K299-C303 PolarHBondContact O-N 3.38Å
300A98.1Very high97.9Very high1 Ų145.2 Ų45.21%0.00824%0.236CC..Hα-helixtrans54.647.9175.600000111.9E208 W218 C303 T304 K305 L307E208-A300 PolarHBondContact OE2-N 3.34Å; W218-A300 HydrophobicContact CB-CB 3.91Å; A300-C303 PolarHBondContact O-N 3.44Å; A300-T304 PolarHBondContact O-N 3.33Å; A300-T304 VanDerWaalsContact O-N 3.14Å; A300-K305 HydrophobicContact CB-CB 4.28Å; A300-K305 WeakPolarHBondContact CB-O 3.38Å; A300-K305 PolarHBondContact O-N 3.26Å; A300-K305 VanDerWaalsContact O-N 3.15Å; A300-L307 HydrophobicContact CB-CD1 3.79Å; A300-L307 HydrophobicContact CB-CG 4.21Å
301D97.7Very high97.9Very high87 Ų8746.6 Ų46.647%0.46525%0.245SC..Hα-helixtrans57.560.2-178.6-161.85.7000112K299 C303 T304 K305K299-D301 VanDerWaalsContact C-N 3.31Å; K299-D301 PolarHBondContact O-N 3.03Å; D301-C303 VanDerWaalsContact C-N 3.32Å; D301-C303 PolarHBondContact O-N 3.3Å; D301-T304 WeakPolarHBondContact O-CB 3.49Å; D301-T304 VanDerWaalsContact O-CG2 3.31Å; D301-T304 WeakPolarHBondContact O-CG2 3.5Å; D301-T304 PolarHBondContact O-N 2.88Å; D301-T304 PolarHBondContact O-OG1 3.48Å; D301-K305 HydrophobicContact CB-CD 3.92Å; D301-K305 HydrophobicContact CB-CG 4.34Å; D301-K305 WeakPolarHBondContact OD2-CE 3.47Å; D301-K305 IonicContact OD2-NZ 2.71Å; D301-K305 PolarHBondContact OD2-NZ 2.88Å
302N97.8Very high97.8Very high86 Ų8652.9 Ų52.946%0.4627%0.268SS..Hα-helixtrans52.846.1-174.4-67.8-39.2000113.3V233 K299 T304V233-N302 HydrophobicContact CB-CB 4.33Å; V233-N302 HydrophobicContact CG1-CB 4.09Å; K299-N302 PolarHBondContact O-N 2.87Å; N302-T304 VanDerWaalsContact C-N 3.27Å; N302-T304 PolarHBondContact O-N 2.93Å
303C98.1Very high97.8Very high10 Ų1052.9 Ų52.97%0.06827%0.268CS..Hα-helixtrans6032.6178.5-56.70000114.4P219 S230 P231 V233 K299 A300 D301P219-C303 VanDerWaalsContact CG-C 3.5Å; P219-C303 HydrophobicContact CG-CB 3.9Å; P219-C303 WeakPolarHBondContact CG-O 3.42Å; S230-C303 PolarHBondContact OG-O 3.31Å; P231-C303 VanDerWaalsContact O-CB 3.27Å; P231-C303 WeakPolarHBondContact O-CB 3.3Å; V233-C303 HydrophobicContact CG2-CB 3.91Å; K299-C303 PolarHBondContact O-N 3.38Å; A300-C303 PolarHBondContact O-N 3.44Å; D301-C303 VanDerWaalsContact C-N 3.32Å; D301-C303 PolarHBondContact O-N 3.3Å
304T97.9Very high97.8Very high102 Ų10258.6 Ų58.663%0.62629%0.292SS*.THydrogen-bonded Turntrans-98.7-9.6176.863.40000113.6A300 D301 N302A300-T304 PolarHBondContact O-N 3.33Å; A300-T304 VanDerWaalsContact O-N 3.14Å; D301-T304 WeakPolarHBondContact O-CB 3.49Å; D301-T304 VanDerWaalsContact O-CG2 3.31Å; D301-T304 WeakPolarHBondContact O-CG2 3.5Å; D301-T304 PolarHBondContact O-N 2.88Å; D301-T304 PolarHBondContact O-OG1 3.48Å; N302-T304 VanDerWaalsContact C-N 3.27Å; N302-T304 PolarHBondContact O-N 2.93Å
305K98.5Very high97.7Very high96 Ų9661.8 Ų61.842%0.41730%0.301SS..SBendtrans-117.9136.4-179.7-64.7172.1-171.7155.80111.6P219 A300 D301 L307P219-K305 WeakPolarHBondContact CD-O 3.35Å; P219-K305 WeakPolarHBondContact CG-O 3.43Å; A300-K305 HydrophobicContact CB-CB 4.28Å; A300-K305 WeakPolarHBondContact CB-O 3.38Å; A300-K305 PolarHBondContact O-N 3.26Å; A300-K305 VanDerWaalsContact O-N 3.15Å; D301-K305 HydrophobicContact CB-CD 3.92Å; D301-K305 HydrophobicContact CB-CG 4.34Å; D301-K305 WeakPolarHBondContact OD2-CE 3.47Å; D301-K305 IonicContact OD2-NZ 2.71Å; D301-K305 PolarHBondContact OD2-NZ 2.88Å; K305-L307 HydrophobicContact CB-CD2 4.28Å; K305-L307 HydrophobicContact CB-CG 4.38Å
306V98.8Very high97.6Very high41 Ų4161.5 Ų61.525%0.24830%0.304CS..  trans-90.6117170.1179.70000108.2P219 F228 V308 W309P219-V306 HydrophobicContact CB-CG2 4.05Å; F228-V306 HydrophobicContact CB-CG2 3.98Å; F228-V306 HydrophobicContact CG-CG2 4.29Å; V306-V308 VanDerWaalsContact CG1-O 3.28Å; V306-V308 WeakPolarHBondContact CG1-O 3.34Å; V306-W309 HydrophobicContact CG1-CD2 4.33Å; V306-W309 HydrophobicContact CG1-CZ2 4.08Å
307L98.8Very high97.5Very high12 Ų1270.5 Ų70.56%0.06334%0.343CS..  trans-116.2-2.3-177.1-61-177.6000113.1S202 Q204 L205 E208 A300 K305S202-L307 VanDerWaalsContact CB-O 3.31Å; S202-L307 WeakPolarHBondContact CB-O 3.27Å; S202-L307 PolarHBondContact N-O 3.48Å; S202-L307 WeakPolarHBondContact OG-CB 3.45Å; S202-L307 PolarHBondContact OG-O 2.65Å; Q204-L307 HydrophobicContact CB-CD1 4.37Å; Q204-L307 HydrophobicContact CB-CD2 4.29Å; L205-L307 HydrophobicContact CB-CB 4.16Å; L205-L307 HydrophobicContact CD1-CB 3.94Å; E208-L307 HydrophobicContact CG-CD1 3.76Å; A300-L307 HydrophobicContact CB-CD1 3.79Å; A300-L307 HydrophobicContact CB-CG 4.21Å; K305-L307 HydrophobicContact CB-CD2 4.28Å; K305-L307 HydrophobicContact CB-CG 4.38Å
308V98.9Very high97.4Very high0 Ų071.6 Ų71.60%035%0.349CS..EExtended strand (participates in β ladder)trans-145.3143.5-18061.70000109.8T200 Y201 L205 V220 G221 A256 V306T200-V308 WeakPolarHBondContact O-CA 3.45Å; Y201-V308 HydrophobicContact CD1-CB 4.42Å; Y201-V308 HydrophobicContact CD1-CG2 3.47Å; Y201-V308 VanDerWaalsContact CD1-CG2 3.47Å; Y201-V308 HydrophobicContact CE1-CG2 3.57Å; Y201-V308 HydrophobicContact CG-CG2 4.48Å; L205-V308 HydrophobicContact CD1-CB 4.39Å; L205-V308 HydrophobicContact CD1-CG1 4.44Å; L205-V308 HydrophobicContact CD2-CB 3.9Å; L205-V308 HydrophobicContact CD2-CG2 4.25Å; V220-V308 HydrophobicContact CB-CG1 4.32Å; V220-V308 HydrophobicContact CG1-CG1 4.29Å; V220-V308 HydrophobicContact CG2-CG1 3.88Å; G221-V308 PolarHBondContact N-O 3.43Å; A256-V308 HydrophobicContact CB-CG2 3.88Å; V306-V308 VanDerWaalsContact CG1-O 3.28Å; V306-V308 WeakPolarHBondContact CG1-O 3.34Å
309W98.8Very high97.4Very high89 Ų8978.7 Ų78.734%0.33738%0.377SS..EExtended strand (participates in β ladder)trans-128131.5-179.7-62.6-100.9000110.4T200 V306 T311T200-W309 HydrophobicContact CG2-CE3 4.28Å; T200-W309 PolarHBondContact N-O 3.06Å; T200-W309 PolarHBondContact O-N 3.23Å; V306-W309 HydrophobicContact CG1-CD2 4.33Å; V306-W309 HydrophobicContact CG1-CZ2 4.08Å; W309-T311 HydrophobicContact CB-CG2 4.09Å; W309-T311 PolarHBondContact O-N 2.86Å
310H98.2Very high97.3Very high43 Ų4388 Ų8820%0.19941%0.412CS..  trans-79.961.8174.7-169.9-68.8000110.2V220 G221 V223 D254V220-H310 HydrophobicContact CG1-CB 4.13Å; G221-H310 PolarHBondContact O-N 3.37Å; V223-H310 HydrophobicContact CB-CB 3.94Å; V223-H310 HydrophobicContact CG2-CB 4.08Å; D254-H310 IonicContact OD1-CD2 2.73Å; D254-H310 IonicContact OD2-CD2 2.68Å; D254-H310 PolarHBondContact OD2-CD2 2.9Å; D254-H310 VanDerWaalsContact OD2-CD2 3.23Å; D254-H310 IonicContact OD2-NE2 3.52Å
311T98.1Very high97.2Very high39 Ų3989.2 Ų89.224%0.23942%0.417CS..  trans-68.3153.3176.1470000111.2D198 N199 T200 W309D198-T311 CarbonylContact C-O 3.51Å; D198-T311 VanDerWaalsContact O-O 3.09Å; D198-T311 PolarHBondContact O-OG1 3.32Å; N199-T311 WeakPolarHBondContact CA-OG1 3.48Å; T200-T311 PolarHBondContact N-OG1 3.39Å; T200-T311 PolarHBondContact OG1-OG1 2.93Å; W309-T311 HydrophobicContact CB-CG2 4.09Å; W309-T311 PolarHBondContact O-N 2.86Å
312R96.1Very high97.2Very high142 Ų14290.3 Ų90.354%0.53642%0.419SS..  trans-136.1134.3175.5-62.2-175.565.5-178.5-4.5109.4S158S158-R312 PolarHBondContact OG-NH1 3.43Å; S158-R312 PolarHBondContact OG-NH2 2.9Å
313T95.7Very high97.1Very high70 Ų7088.5 Ų88.543%0.42942%0.416SS..PPolyproline II helixtrans-84.7135.6178.3-58.20000110.8V95 E99V95-T313 HydrophobicContact CB-CG2 4.32Å; V95-T313 HydrophobicContact CG1-CG2 3.96Å; V95-T313 HydrophobicContact CG2-CG2 4.38Å; E99-T313 WeakPolarHBondContact OE1-CB 3.42Å; E99-T313 PolarHBondContact OE1-OG1 3.36Å; E99-T313 PolarHBondContact OE2-OG1 3.39Å
314E95.3Very high97.1Very high164 Ų16491.2 Ų91.277%0.76643%0.43SS*.PPolyproline II helixtrans-63.9145.7174.5-67.1-168.4171.900111.4P316E314-P316 WeakPolarHBondContact O-CD 3.26Å
315K93.7Very high97Very high168 Ų16891.8 Ų91.873%0.7343%0.426SS*.PPolyproline II helixtrans-66.1124.1172.5-174.2177.9178.6-178.30109.1
316P95.9Very high97Very high51 Ų5193.5 Ų93.533%0.33144%0.444SS..PPolyproline II helixtrans-57.7141.5177.1-26.335.5000112.3L94 V95 E314 M318L94-P316 HydrophobicContact CB-CG 4.03Å; L94-P316 HydrophobicContact CD1-CB 4.1Å; L94-P316 HydrophobicContact CD1-CG 4.18Å; V95-P316 HydrophobicContact CG1-CG 3.55Å; E314-P316 WeakPolarHBondContact O-CD 3.26Å; P316-M318 HydrophobicContact CB-SD 4.08Å; P316-M318 PolarHBondContact O-N 3.49Å
317K96.4Very high96.9Very high193 Ų19397.6 Ų97.684%0.83946%0.46SS*.  trans-82.9105178.4-64.8178.8-175.9172.30109.9
318M96.4Very high96.8Very high60 Ų60100.2 Ų100.230%0.29649%0.49SS..  trans-97.58.5-173-59.7-53.5-75.100115.3L94 P316 R320 E321 E322L94-M318 HydrophobicContact CD1-CE 4.35Å; L94-M318 HydrophobicContact CD1-CG 3.49Å; L94-M318 VanDerWaalsContact CD1-CG 3.49Å; L94-M318 HydrophobicContact CD1-SD 3.79Å; L94-M318 HydrophobicContact CD2-CE 4.19Å; P316-M318 HydrophobicContact CB-SD 4.08Å; P316-M318 PolarHBondContact O-N 3.49Å; M318-R320 PolarHBondContact O-N 2.82Å; M318-E321 HydrophobicContact CB-CB 4.49Å; M318-E321 HydrophobicContact CE-CB 3.73Å; M318-E321 HydrophobicContact CE-CG 3.71Å; M318-E321 WeakPolarHBondContact O-CB 3.47Å; M318-E321 PolarHBondContact O-N 2.84Å; M318-E322 HydrophobicContact CB-CG 4.47Å; M318-E322 WeakPolarHBondContact O-CG 3.38Å; M318-E322 PolarHBondContact O-N 3.49Å
319K96.8Very high96.7Very high173 Ų173105.7 Ų105.775%0.75252%0.519SS*.Hα-helixtrans-51.6-37.1-175.6-66.5-170.9177-1720114.7A323K319-A323 WeakPolarHBondContact O-CB 3.41Å; K319-A323 PolarHBondContact O-N 3.35Å
320R96.9Very high96.5Very high221 Ų221102.9 Ų102.983%0.83452%0.517SS*.Hα-helixtrans-75.4-40.4178.7-70.2-176.2-177.2168.80.4112.1M318 A323 L324M318-R320 PolarHBondContact O-N 2.82Å; R320-A323 PolarHBondContact O-N 2.91Å; R320-L324 WeakPolarHBondContact O-CB 3.25Å; R320-L324 WeakPolarHBondContact O-CG 3.29Å; R320-L324 PolarHBondContact O-N 2.93Å
321E97.3Very high96.5Very high27 Ų27104.8 Ų104.813%0.12654%0.536CS..Hα-helixtrans-61.1-47.4175.1178.159.7-149.700110.1M318 A323 L324 Q325 S331M318-E321 HydrophobicContact CB-CB 4.49Å; M318-E321 HydrophobicContact CE-CB 3.73Å; M318-E321 HydrophobicContact CE-CG 3.71Å; M318-E321 WeakPolarHBondContact O-CB 3.47Å; M318-E321 PolarHBondContact O-N 2.84Å; E321-A323 VanDerWaalsContact C-N 3.33Å; E321-A323 PolarHBondContact O-N 3.44Å; E321-L324 PolarHBondContact O-N 2.96Å; E321-L324 VanDerWaalsContact O-N 3.14Å; E321-Q325 HydrophobicContact CG-CG 4.46Å; E321-Q325 VanDerWaalsContact O-CG 3.3Å; E321-Q325 WeakPolarHBondContact O-CG 3.47Å; E321-Q325 PolarHBondContact O-N 2.92Å; E321-Q325 WeakPolarHBondContact OE1-CG 3.36Å; E321-Q325 PolarHBondContact OE1-NE2 3.31Å; E321-S331 PolarHBondContact OE1-N 3.37Å; E321-S331 WeakPolarHBondContact OE2-CB 3.32Å; E321-S331 PolarHBondContact OE2-N 3.04Å; E321-S331 PolarHBondContact OE2-OG 3.38Å
322E96.3Very high96.5Very high109 Ų109107.5 Ų107.551%0.50955%0.549SS..Hα-helixtrans-56.3-44.9175.5-68.5160.9-162.900111.7M318 L324 Q325 V326M318-E322 HydrophobicContact CB-CG 4.47Å; M318-E322 WeakPolarHBondContact O-CG 3.38Å; M318-E322 PolarHBondContact O-N 3.49Å; E322-L324 PolarHBondContact O-N 3.38Å; E322-Q325 PolarHBondContact O-N 2.98Å; E322-V326 WeakPolarHBondContact O-CG2 3.49Å; E322-V326 PolarHBondContact O-N 3.3Å
323A97.4Very high96.3Very high48 Ų48106.9 Ų106.940%0.39756%0.563SS.*Hα-helixtrans-66.9-34.2178.100000113.5K319 R320 E321 Q327K319-A323 WeakPolarHBondContact O-CB 3.41Å; K319-A323 PolarHBondContact O-N 3.35Å; R320-A323 PolarHBondContact O-N 2.91Å; E321-A323 VanDerWaalsContact C-N 3.33Å; E321-A323 PolarHBondContact O-N 3.44Å; A323-Q327 PolarHBondContact O-NE2 2.98Å
324L97.8Very high96.3Very high67 Ų67107.6 Ų107.635%0.35158%0.576SS.*Hα-helixtrans-74.7-36.8176.1-75.3174.1000111.9R320 E321 E322 V326 Q327 G328 L329 G330R320-L324 WeakPolarHBondContact O-CB 3.25Å; R320-L324 WeakPolarHBondContact O-CG 3.29Å; R320-L324 PolarHBondContact O-N 2.93Å; E321-L324 PolarHBondContact O-N 2.96Å; E321-L324 VanDerWaalsContact O-N 3.14Å; E322-L324 PolarHBondContact O-N 3.38Å; L324-V326 VanDerWaalsContact C-N 3.33Å; L324-V326 PolarHBondContact O-N 2.9Å; L324-Q327 CarbonylContact O-C 3.55Å; L324-Q327 WeakPolarHBondContact O-CA 3.24Å; L324-Q327 PolarHBondContact O-N 3.48Å; L324-G328 PolarHBondContact O-N 3.41Å; L324-L329 HydrophobicContact CD2-CB 4.08Å; L324-L329 CarbonylContact O-C 3.56Å; L324-L329 PolarHBondContact O-N 3.41Å; L324-G330 PolarHBondContact O-N 3.26Å
325Q96.1Very high96.4Very high115 Ų115104.3 Ų104.354%0.53757%0.567SS.*Hα-helixtrans-59.7-42175.1-75.5175.20.100112E321 E322 Q327 G328E321-Q325 HydrophobicContact CG-CG 4.46Å; E321-Q325 VanDerWaalsContact O-CG 3.3Å; E321-Q325 WeakPolarHBondContact O-CG 3.47Å; E321-Q325 PolarHBondContact O-N 2.92Å; E321-Q325 WeakPolarHBondContact OE1-CG 3.36Å; E321-Q325 PolarHBondContact OE1-NE2 3.31Å; E322-Q325 PolarHBondContact O-N 2.98Å; Q325-Q327 PolarHBondContact O-N 2.95Å; Q325-G328 PolarHBondContact O-N 3.37Å
326V96.8Very high96.5Very high131 Ų131100.4 Ų100.479%0.79455%0.551SS**Hα-helixtrans-60.3-29.5175.1173.30000112.1E322 L324 G328E322-V326 WeakPolarHBondContact O-CG2 3.49Å; E322-V326 PolarHBondContact O-N 3.3Å; L324-V326 VanDerWaalsContact C-N 3.33Å; L324-V326 PolarHBondContact O-N 2.9Å; V326-G328 VanDerWaalsContact C-N 3.35Å
327Q97.2Very high96.4Very high127 Ų127104.2 Ų104.259%0.59357%0.574SS**THydrogen-bonded Turntrans-88-0.9178.3-65.9170.862.100113.3A323 L324 Q325 L329A323-Q327 PolarHBondContact O-NE2 2.98Å; L324-Q327 CarbonylContact O-C 3.55Å; L324-Q327 WeakPolarHBondContact O-CA 3.24Å; L324-Q327 PolarHBondContact O-N 3.48Å; Q325-Q327 PolarHBondContact O-N 2.95Å; Q327-L329 HydrophobicContact CB-CB 4.5Å; Q327-L329 HydrophobicContact CB-CD1 4.33Å; Q327-L329 HydrophobicContact CB-CG 4.31Å; Q327-L329 PolarHBondContact O-N 2.78Å
328G96Very high96.5Very high68 Ų6899.8 Ų99.870%0.70156%0.56SS**THydrogen-bonded Turntrans70.316.9-172.200000114L324 Q325 V326L324-G328 PolarHBondContact O-N 3.41Å; Q325-G328 PolarHBondContact O-N 3.37Å; V326-G328 VanDerWaalsContact C-N 3.35Å
329L97Very high96.5Very high114 Ų114101.9 Ų101.960%0.59757%0.574SS**  trans-114.121.2-178.6-61.4176.6000112.2L324 Q327L324-L329 HydrophobicContact CD2-CB 4.08Å; L324-L329 CarbonylContact O-C 3.56Å; L324-L329 PolarHBondContact O-N 3.41Å; Q327-L329 HydrophobicContact CB-CB 4.5Å; Q327-L329 HydrophobicContact CB-CD1 4.33Å; Q327-L329 HydrophobicContact CB-CG 4.31Å; Q327-L329 PolarHBondContact O-N 2.78Å
330G96.2Very high96.4Very high30 Ų3097.9 Ų97.931%0.30956%0.564SS.*PPolyproline II helixtrans-61.6166.8178.500000112.7L324L324-G330 PolarHBondContact O-N 3.26Å
331S97.3Very high96.4Very high83 Ų8390.7 Ų90.758%0.5855%0.549SS*.PPolyproline II helixtrans-59142175.2-64.10000110.6E321 P333E321-S331 PolarHBondContact OE1-N 3.37Å; E321-S331 WeakPolarHBondContact OE2-CB 3.32Å; E321-S331 PolarHBondContact OE2-N 3.04Å; E321-S331 PolarHBondContact OE2-OG 3.38Å; S331-P333 WeakPolarHBondContact O-CD 3.31Å; S331-P333 VanDerWaalsContact O-N 3.16Å
332D97.1Very high96.4Very high96 Ų9694.7 Ų94.751%0.51358%0.575SS.*PPolyproline II helixtrans-59.9116.4-179.9179.10000110.4A334 V335D332-A334 PolarHBondContact O-N 3.04Å; D332-A334 VanDerWaalsContact O-N 3.12Å; D332-A334 VanDerWaalsContact OD1-CB 3.29Å; D332-A334 WeakPolarHBondContact OD1-CB 3.43Å; D332-A334 PolarHBondContact OD1-N 3.13Å; D332-V335 HydrophobicContact CB-CG2 3.94Å; D332-V335 PolarHBondContact O-N 3.46Å
333P93.9Very high96.4Very high130 Ų13093.7 Ų93.784%0.84458%0.579SS**THydrogen-bonded Turntrans-66.1-13.6-178.828.3-35.9000113.4S331 V335S331-P333 WeakPolarHBondContact O-CD 3.31Å; S331-P333 VanDerWaalsContact O-N 3.16Å; P333-V335 VanDerWaalsContact C-N 3.29Å
334A95.6Very high96.3Very high84 Ų8497 Ų9769%0.69459%0.592SS**THydrogen-bonded Turntrans-76.6-16.4172.600000113D332 E336D332-A334 PolarHBondContact O-N 3.04Å; D332-A334 VanDerWaalsContact O-N 3.12Å; D332-A334 VanDerWaalsContact OD1-CB 3.29Å; D332-A334 WeakPolarHBondContact OD1-CB 3.43Å; D332-A334 PolarHBondContact OD1-N 3.13Å; A334-E336 PolarHBondContact O-N 3.32Å
335V97.2Very high96.2Very high95 Ų9599.3 Ų99.358%0.57661%0.611SS**SBendtrans-87.7102.3177.4-178.10000109.4D332 P333 V337D332-V335 HydrophobicContact CB-CG2 3.94Å; D332-V335 PolarHBondContact O-N 3.46Å; P333-V335 VanDerWaalsContact C-N 3.29Å; V335-V337 PolarHBondContact O-N 2.94Å
336E95.4Very high96.2Very high86 Ų8698 Ų9840%0.40262%0.617SS.*  trans-70.7118.2-179.4-174.5-172.678.800112.3K97 L127 A334K97-E336 HydrophobicContact CD-CG 4.08Å; K97-E336 VanDerWaalsContact CE-OE1 3.3Å; K97-E336 WeakPolarHBondContact CE-OE1 3.43Å; K97-E336 PolarHBondContact NZ-O 2.99Å; K97-E336 VanDerWaalsContact NZ-O 3.08Å; K97-E336 IonicContact NZ-OE1 2.76Å; K97-E336 PolarHBondContact NZ-OE1 2.99Å; L127-E336 VanDerWaalsContact CA-OE2 3.26Å; L127-E336 WeakPolarHBondContact CA-OE2 3.21Å; L127-E336 WeakPolarHBondContact CB-OE2 3.24Å; L127-E336 HydrophobicContact CD1-CG 3.88Å; L127-E336 HydrophobicContact CG-CG 4.15Å; L127-E336 WeakPolarHBondContact CG-OE2 3.25Å; A334-E336 PolarHBondContact O-N 3.32Å
337V94.4Very high96.1Very high132 Ų13295 Ų9580%0.860%0.601SS**  trans-97.90177.7-179.60000112.4K97 V335K97-V337 WeakPolarHBondContact CD-OXT 3.42Å; V335-V337 PolarHBondContact O-N 2.94Å

Retrieved 337 of 337 residues in 499 ms (Link to these results)

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