A0A3Q0KQV2_SCHMA Loading...

Putative oxysterol-binding protein

AlphaFold DB , UniProt , Accession A0A3Q0KQV2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 788 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
1M53.1Low74.4Confident181 Ų181114.9 Ų114.989%0.89257%0.569SS**  0116.40-86.9-178.7176.900108.2D5 I9M1-D5 WeakPolarHBondContact CA-OD2 3.39Å; M1-D5 HydrophobicContact CB-CB 4.18Å; M1-D5 HydrophobicContact CG-CB 4.05Å; M1-I9 HydrophobicContact CE-CD1 3.13Å; M1-I9 HydrophobicContact SD-CD1 3.7Å
2N67.8Low74.8Confident129 Ų129115.3 Ų115.369%0.6957%0.573SS**  trans-73.2161.5170.1-82-10.4000109.8K4 D5 R6N2-K4 PolarHBondContact O-N 2.86Å; N2-D5 PolarHBondContact N-OD2 3.07Å; N2-D5 WeakPolarHBondContact O-CB 3.4Å; N2-D5 PolarHBondContact O-N 3.44Å; N2-R6 PolarHBondContact O-N 2.93Å
3G70Confident75.1Confident63 Ų63112.8 Ų112.865%0.64956%0.562SS**Hα-helixtrans-53.4-31.8-178.800000114R6 E7G3-R6 PolarHBondContact O-N 2.99Å; G3-E7 PolarHBondContact O-N 3.3Å; G3-E7 VanDerWaalsContact O-N 3.12Å
4K77.3Confident75.4Confident159 Ų159114.5 Ų114.569%0.69156%0.564SS**Hα-helixtrans-68.7-35.1176.3-153166-173.6171.70113.2N2 R6 E7 N8N2-K4 PolarHBondContact O-N 2.86Å; K4-R6 VanDerWaalsContact C-N 3.33Å; K4-E7 PolarHBondContact O-N 3.26Å; K4-N8 WeakPolarHBondContact O-CB 3.26Å; K4-N8 VanDerWaalsContact O-CG 3.32Å; K4-N8 PolarHBondContact O-N 3.41Å; K4-N8 PolarHBondContact O-ND2 3.47Å
5D77.9Confident75.7Confident74 Ų74118.3 Ų118.340%0.39657%0.57SS.*Hα-helixtrans-66.4-40.4175-55.8-31.8000110.4M1 N2 N8 I9M1-D5 WeakPolarHBondContact CA-OD2 3.39Å; M1-D5 HydrophobicContact CB-CB 4.18Å; M1-D5 HydrophobicContact CG-CB 4.05Å; N2-D5 PolarHBondContact N-OD2 3.07Å; N2-D5 WeakPolarHBondContact O-CB 3.4Å; N2-D5 PolarHBondContact O-N 3.44Å; D5-N8 PolarHBondContact O-N 3.37Å; D5-I9 WeakPolarHBondContact O-CB 3.28Å; D5-I9 VanDerWaalsContact O-CG1 3.28Å; D5-I9 WeakPolarHBondContact O-CG1 3.49Å; D5-I9 PolarHBondContact O-N 3.42Å
6R75.3Confident75.7Confident165 Ų165114.3 Ų114.362%0.62356%0.562SS**Hα-helixtrans-65.4-42.4178.9-166173.8173.2166.6-3.9111.5N2 G3 K4 I9 F10N2-R6 PolarHBondContact O-N 2.93Å; G3-R6 PolarHBondContact O-N 2.99Å; K4-R6 VanDerWaalsContact C-N 3.33Å; R6-I9 PolarHBondContact O-N 2.84Å; R6-F10 HydrophobicContact CG-CD2 4.08Å; R6-F10 HydrophobicContact CG-CE2 3.9Å; R6-F10 WeakPolarHBondContact O-CD2 3.49Å; R6-F10 PolarHBondContact O-N 2.91Å
7E78.2Confident75.7Confident100 Ų100115.6 Ų115.647%0.46756%0.564SS.*Hα-helixtrans-64.9-42.5175.8-164.2-170.9153.400112.3G3 K4 I9 F10 K11G3-E7 PolarHBondContact O-N 3.3Å; G3-E7 VanDerWaalsContact O-N 3.12Å; K4-E7 PolarHBondContact O-N 3.26Å; E7-I9 VanDerWaalsContact C-N 3.34Å; E7-I9 PolarHBondContact O-N 3.44Å; E7-F10 PolarHBondContact O-N 3.5Å; E7-K11 PolarHBondContact O-N 3.37Å; E7-K11 VanDerWaalsContact OE1-CE 3.3Å; E7-K11 WeakPolarHBondContact OE1-CE 3.26Å; E7-K11 IonicContact OE1-NZ 2.75Å; E7-K11 PolarHBondContact OE1-NZ 2.82Å
8N81Confident75.8Confident83 Ų83114.4 Ų114.444%0.44456%0.557SS.*Hα-helixtrans-62.6-40.5176-74.8-17.7000111.9K4 D5 K11 L12K4-N8 WeakPolarHBondContact O-CB 3.26Å; K4-N8 VanDerWaalsContact O-CG 3.32Å; K4-N8 PolarHBondContact O-N 3.41Å; K4-N8 PolarHBondContact O-ND2 3.47Å; D5-N8 PolarHBondContact O-N 3.37Å; N8-K11 PolarHBondContact O-N 2.97Å; N8-L12 WeakPolarHBondContact O-CB 3.22Å; N8-L12 PolarHBondContact O-N 3.39Å
9I78.7Confident75.8Confident63 Ų63113.2 Ų113.232%0.32355%0.553SS.*Hα-helixtrans-64.3-42.5174.7-72.6167000111.2M1 D5 R6 E7 K11 L12 I13M1-I9 HydrophobicContact CE-CD1 3.13Å; M1-I9 HydrophobicContact SD-CD1 3.7Å; D5-I9 WeakPolarHBondContact O-CB 3.28Å; D5-I9 VanDerWaalsContact O-CG1 3.28Å; D5-I9 WeakPolarHBondContact O-CG1 3.49Å; D5-I9 PolarHBondContact O-N 3.42Å; R6-I9 PolarHBondContact O-N 2.84Å; E7-I9 VanDerWaalsContact C-N 3.34Å; E7-I9 PolarHBondContact O-N 3.44Å; I9-K11 PolarHBondContact O-N 3.31Å; I9-L12 PolarHBondContact O-N 3.49Å; I9-I13 HydrophobicContact CG2-CD1 3.64Å; I9-I13 HydrophobicContact CG2-CG1 4.28Å; I9-I13 WeakPolarHBondContact O-CB 3.42Å; I9-I13 VanDerWaalsContact O-CG1 3.26Å; I9-I13 WeakPolarHBondContact O-CG1 3.31Å; I9-I13 PolarHBondContact O-N 2.75Å
10F77.3Confident75.8Confident126 Ų126113.2 Ų113.255%0.55355%0.552SS**Hα-helixtrans-62.2-42.3175-88-68.2000112.5R6 E7 I13 K14R6-F10 HydrophobicContact CG-CD2 4.08Å; R6-F10 HydrophobicContact CG-CE2 3.9Å; R6-F10 WeakPolarHBondContact O-CD2 3.49Å; R6-F10 PolarHBondContact O-N 2.91Å; E7-F10 PolarHBondContact O-N 3.5Å; F10-I13 PolarHBondContact O-N 3.17Å; F10-K14 WeakPolarHBondContact O-CB 3.4Å; F10-K14 PolarHBondContact O-N 3.43Å
11K81.9Confident75.7Confident121 Ų121111 Ų11153%0.52655%0.545SS..Hα-helixtrans-63.4-41.8174.7-74.7178.3-174.5162.80111.9E7 N8 I9 K14 R15E7-K11 PolarHBondContact O-N 3.37Å; E7-K11 VanDerWaalsContact OE1-CE 3.3Å; E7-K11 WeakPolarHBondContact OE1-CE 3.26Å; E7-K11 IonicContact OE1-NZ 2.75Å; E7-K11 PolarHBondContact OE1-NZ 2.82Å; N8-K11 PolarHBondContact O-N 2.97Å; I9-K11 PolarHBondContact O-N 3.31Å; K11-K14 PolarHBondContact O-N 2.91Å; K11-R15 WeakPolarHBondContact O-CB 3.43Å; K11-R15 PolarHBondContact O-N 3.43Å
12L79.7Confident76.8Confident120 Ų120107.8 Ų107.863%0.62853%0.528SS*.Hα-helixtrans-63.3-45.6175.3-87.3160.4000112.1N8 I9 K14 R15 A16N8-L12 WeakPolarHBondContact O-CB 3.22Å; N8-L12 PolarHBondContact O-N 3.39Å; I9-L12 PolarHBondContact O-N 3.49Å; L12-K14 VanDerWaalsContact C-N 3.34Å; L12-K14 PolarHBondContact O-N 3.12Å; L12-R15 PolarHBondContact O-N 3.07Å; L12-A16 VanDerWaalsContact O-CB 3.26Å; L12-A16 WeakPolarHBondContact O-CB 3.32Å; L12-A16 PolarHBondContact O-N 3.5Å
13I78.9Confident77.2Confident82 Ų82108.1 Ų108.142%0.42153%0.525SS..Hα-helixtrans-63-41.7176.3-68.9168.1000110.6I9 F10 A16 K17I9-I13 HydrophobicContact CG2-CD1 3.64Å; I9-I13 HydrophobicContact CG2-CG1 4.28Å; I9-I13 WeakPolarHBondContact O-CB 3.42Å; I9-I13 VanDerWaalsContact O-CG1 3.26Å; I9-I13 WeakPolarHBondContact O-CG1 3.31Å; I9-I13 PolarHBondContact O-N 2.75Å; F10-I13 PolarHBondContact O-N 3.17Å; I13-A16 PolarHBondContact O-N 3.5Å; I13-K17 WeakPolarHBondContact O-CG 3.44Å; I13-K17 PolarHBondContact O-N 3.42Å
14K79.2Confident77.6Confident137 Ų137110.4 Ų110.460%0.59652%0.519SS*.Hα-helixtrans-61.5-49.6176.7-167.8-172.4-179-159.40110.9F10 K11 L12 A16 K17 E18F10-K14 WeakPolarHBondContact O-CB 3.4Å; F10-K14 PolarHBondContact O-N 3.43Å; K11-K14 PolarHBondContact O-N 2.91Å; L12-K14 VanDerWaalsContact C-N 3.34Å; L12-K14 PolarHBondContact O-N 3.12Å; K14-A16 VanDerWaalsContact C-N 3.34Å; K14-A16 PolarHBondContact O-N 2.93Å; K14-K17 PolarHBondContact O-N 2.83Å; K14-E18 WeakPolarHBondContact CE-OE1 3.46Å; K14-E18 IonicContact NZ-OE1 3.6Å; K14-E18 WeakPolarHBondContact O-CG 3.47Å; K14-E18 PolarHBondContact O-N 3.46Å
15R80.1Confident77.5Confident171 Ų171106.6 Ų106.665%0.64550%0.503SS*.Hα-helixtrans-64.1-36.7177.8-168.1173.9-175.1169.92.1112.6K11 L12 E18 L19K11-R15 WeakPolarHBondContact O-CB 3.43Å; K11-R15 PolarHBondContact O-N 3.43Å; L12-R15 PolarHBondContact O-N 3.07Å; R15-E18 PolarHBondContact O-N 3.31Å; R15-L19 HydrophobicContact CG-CD1 4.28Å; R15-L19 WeakPolarHBondContact O-CB 3.43Å; R15-L19 VanDerWaalsContact O-CG 3.31Å; R15-L19 WeakPolarHBondContact O-CG 3.47Å; R15-L19 PolarHBondContact O-N 3.41Å
16A75Confident77.6Confident55 Ų55107.2 Ų107.246%0.45551%0.506SS..Hα-helixtrans-65.9-41.6175.100000111.7L12 I13 K14 L19 Q20L12-A16 VanDerWaalsContact O-CB 3.26Å; L12-A16 WeakPolarHBondContact O-CB 3.32Å; L12-A16 PolarHBondContact O-N 3.5Å; I13-A16 PolarHBondContact O-N 3.5Å; K14-A16 VanDerWaalsContact C-N 3.34Å; K14-A16 PolarHBondContact O-N 2.93Å; A16-L19 PolarHBondContact O-N 3.46Å; A16-Q20 WeakPolarHBondContact O-CB 3.47Å; A16-Q20 PolarHBondContact O-N 3.24Å
17K76.5Confident78Confident136 Ų136104.2 Ų104.259%0.59150%0.499SS*.Hα-helixtrans-64.4-41.8173-76.1-174.8175.2-170.80112.2I13 K14 Q20 T21I13-K17 WeakPolarHBondContact O-CG 3.44Å; I13-K17 PolarHBondContact O-N 3.42Å; K14-K17 PolarHBondContact O-N 2.83Å; K17-Q20 PolarHBondContact O-N 2.94Å; K17-T21 WeakPolarHBondContact O-CB 3.39Å; K17-T21 PolarHBondContact O-N 2.91Å; K17-T21 PolarHBondContact O-OG1 2.88Å
18E77Confident78.3Confident95 Ų95102 Ų10244%0.44449%0.49SS..Hα-helixtrans-60.8-49.1175.8-73.3165179.900110.9K14 R15 Q20 T21 E22K14-E18 WeakPolarHBondContact CE-OE1 3.46Å; K14-E18 IonicContact NZ-OE1 3.6Å; K14-E18 WeakPolarHBondContact O-CG 3.47Å; K14-E18 PolarHBondContact O-N 3.46Å; R15-E18 PolarHBondContact O-N 3.31Å; E18-Q20 PolarHBondContact O-N 3.44Å; E18-T21 PolarHBondContact O-N 2.9Å; E18-E22 WeakPolarHBondContact O-CB 3.35Å; E18-E22 PolarHBondContact O-N 2.9Å
19L75.4Confident78.6Confident91 Ų91100 Ų10048%0.47648%0.476SS..Hα-helixtrans-60.9-42.9176-74.5168.3000112.4R15 A16 E22 E23R15-L19 HydrophobicContact CG-CD1 4.28Å; R15-L19 WeakPolarHBondContact O-CB 3.43Å; R15-L19 VanDerWaalsContact O-CG 3.31Å; R15-L19 WeakPolarHBondContact O-CG 3.47Å; R15-L19 PolarHBondContact O-N 3.41Å; A16-L19 PolarHBondContact O-N 3.46Å; L19-E22 PolarHBondContact O-N 2.94Å; L19-E23 WeakPolarHBondContact O-CB 3.28Å; L19-E23 WeakPolarHBondContact O-CG 3.3Å; L19-E23 PolarHBondContact O-N 2.86Å
20Q75.2Confident79Confident112 Ų112102.2 Ų102.252%0.52348%0.483SS..Hα-helixtrans-64-41.8176.9-171.5177.2-2.200111.7A16 K17 E18 E22 E23 E24A16-Q20 WeakPolarHBondContact O-CB 3.47Å; A16-Q20 PolarHBondContact O-N 3.24Å; K17-Q20 PolarHBondContact O-N 2.94Å; E18-Q20 PolarHBondContact O-N 3.44Å; Q20-E22 VanDerWaalsContact C-N 3.3Å; Q20-E22 PolarHBondContact O-N 3.41Å; Q20-E23 PolarHBondContact O-N 2.92Å; Q20-E24 WeakPolarHBondContact O-CB 3.36Å; Q20-E24 WeakPolarHBondContact O-CG 3.34Å; Q20-E24 PolarHBondContact O-N 2.68Å
21T75.3Confident79.7Confident67 Ų67103.4 Ų103.441%0.41148%0.484SS..Hα-helixtrans-64-38.6175.4-51.60000110.9K17 E18 K25K17-T21 WeakPolarHBondContact O-CB 3.39Å; K17-T21 PolarHBondContact O-N 2.91Å; K17-T21 PolarHBondContact O-OG1 2.88Å; E18-T21 PolarHBondContact O-N 2.9Å; T21-K25 WeakPolarHBondContact O-CB 3.41Å; T21-K25 VanDerWaalsContact O-CG 3.31Å; T21-K25 WeakPolarHBondContact O-CG 3.35Å; T21-K25 PolarHBondContact O-N 3.38Å
22E74.8Confident80.2Confident114 Ų11497.9 Ų97.953%0.53346%0.461SS..Hα-helixtrans-72.4-37179.4-164.3154.1-156.300112.2E18 L19 Q20 N26E18-E22 WeakPolarHBondContact O-CB 3.35Å; E18-E22 PolarHBondContact O-N 2.9Å; L19-E22 PolarHBondContact O-N 2.94Å; Q20-E22 VanDerWaalsContact C-N 3.3Å; Q20-E22 PolarHBondContact O-N 3.41Å; E22-N26 VanDerWaalsContact O-CB 3.28Å; E22-N26 WeakPolarHBondContact O-CB 3.41Å; E22-N26 VanDerWaalsContact O-CG 3.23Å; E22-N26 PolarHBondContact O-N 3.41Å; E22-N26 PolarHBondContact O-ND2 2.83Å; E22-N26 VanDerWaalsContact O-ND2 3.1Å
23E77.1Confident80.9Confident137 Ų13796 Ų9664%0.6445%0.448SS*.Hα-helixtrans-63.5-44.2169.9-77.8-179.3176.600112.2L19 Q20 N26 H27L19-E23 WeakPolarHBondContact O-CB 3.28Å; L19-E23 WeakPolarHBondContact O-CG 3.3Å; L19-E23 PolarHBondContact O-N 2.86Å; Q20-E23 PolarHBondContact O-N 2.92Å; E23-N26 PolarHBondContact O-N 3.1Å; E23-H27 WeakPolarHBondContact O-CB 3.31Å; E23-H27 PolarHBondContact O-N 3.26Å
24E77.9Confident81.6Confident111 Ų11192.6 Ų92.652%0.51943%0.434SS..Hα-helixtrans-62-46.3175.3-76.6174.3-174.700111.4Q20 N26 H27 L28Q20-E24 WeakPolarHBondContact O-CB 3.36Å; Q20-E24 WeakPolarHBondContact O-CG 3.34Å; Q20-E24 PolarHBondContact O-N 2.68Å; E24-N26 PolarHBondContact O-N 3.13Å; E24-H27 WeakPolarHBondContact O-CB 3.39Å; E24-H27 PolarHBondContact O-N 2.73Å; E24-H27 VanDerWaalsContact O-N 3.17Å; E24-L28 WeakPolarHBondContact O-CG 3.38Å; E24-L28 PolarHBondContact O-N 2.9Å
25K76.4Confident82.3Confident79 Ų7991.6 Ų91.634%0.34343%0.432SS..Hα-helixtrans-61.2-41.7174.4-76.5-175.3175.9-164.60111.9T21 H27 L28 R29T21-K25 WeakPolarHBondContact O-CB 3.41Å; T21-K25 VanDerWaalsContact O-CG 3.31Å; T21-K25 WeakPolarHBondContact O-CG 3.35Å; T21-K25 PolarHBondContact O-N 3.38Å; K25-H27 VanDerWaalsContact C-N 3.33Å; K25-H27 PolarHBondContact O-N 3.19Å; K25-L28 PolarHBondContact O-N 2.94Å; K25-R29 WeakPolarHBondContact O-CG 3.37Å; K25-R29 PolarHBondContact O-N 3.26Å; K25-R29 VanDerWaalsContact O-N 3.15Å
26N79.3Confident83Confident87 Ų8783.6 Ų83.647%0.46540%0.402SS..Hα-helixtrans-64.4-36.8174.5-80.2-34.5000112.1E22 E23 E24 L28 R29E22-N26 VanDerWaalsContact O-CB 3.28Å; E22-N26 WeakPolarHBondContact O-CB 3.41Å; E22-N26 VanDerWaalsContact O-CG 3.23Å; E22-N26 PolarHBondContact O-N 3.41Å; E22-N26 PolarHBondContact O-ND2 2.83Å; E22-N26 VanDerWaalsContact O-ND2 3.1Å; E23-N26 PolarHBondContact O-N 3.1Å; E24-N26 PolarHBondContact O-N 3.13Å; N26-L28 VanDerWaalsContact C-N 3.34Å; N26-R29 PolarHBondContact O-N 3.32Å; N26-R29 PolarHBondContact OD1-NH2 3.3Å
27H83.5Confident84Confident102 Ų10282.7 Ų82.747%0.47239%0.389SS..Hα-helixtrans-66.8-36176.1-166.5-59000112.1E23 E24 K25 R29 K30E23-H27 WeakPolarHBondContact O-CB 3.31Å; E23-H27 PolarHBondContact O-N 3.26Å; E24-H27 WeakPolarHBondContact O-CB 3.39Å; E24-H27 PolarHBondContact O-N 2.73Å; E24-H27 VanDerWaalsContact O-N 3.17Å; K25-H27 VanDerWaalsContact C-N 3.33Å; K25-H27 PolarHBondContact O-N 3.19Å; H27-R29 VanDerWaalsContact C-N 3.34Å; H27-K30 PolarHBondContact CD2-NZ 2.71Å; H27-K30 PolarHBondContact NE2-NZ 3.26Å; H27-K30 VanDerWaalsContact NE2-NZ 3.17Å; H27-K30 WeakPolarHBondContact O-CG 3.44Å
28L84.7Confident84.8Confident53 Ų5377.5 Ų77.528%0.27737%0.366SS..Hα-helixtrans-70.8-28.6176-71.2167.3000112.6E24 K25 N26 K30 D120 R121 A124E24-L28 WeakPolarHBondContact O-CG 3.38Å; E24-L28 PolarHBondContact O-N 2.9Å; K25-L28 PolarHBondContact O-N 2.94Å; N26-L28 VanDerWaalsContact C-N 3.34Å; L28-K30 PolarHBondContact O-N 3Å; L28-D120 HydrophobicContact CD2-CB 4.09Å; L28-R121 HydrophobicContact CD2-CG 4.34Å; L28-R121 WeakPolarHBondContact O-CG 3.49Å; L28-A124 HydrophobicContact CB-CB 3.65Å; L28-A124 HydrophobicContact CD1-CB 4.41Å
29R86.8Confident85.3Confident41 Ų4174.5 Ų74.516%0.15535%0.352CS..THydrogen-bonded Turntrans-85.535.9176.8-66.8-172.6-62.6-108.73.2114.1K25 N26 H27 P55 A124 V125K25-R29 WeakPolarHBondContact O-CG 3.37Å; K25-R29 PolarHBondContact O-N 3.26Å; K25-R29 VanDerWaalsContact O-N 3.15Å; N26-R29 PolarHBondContact O-N 3.32Å; N26-R29 PolarHBondContact OD1-NH2 3.3Å; H27-R29 VanDerWaalsContact C-N 3.34Å; R29-P55 HydrophobicContact CB-CB 4.43Å; R29-P55 VanDerWaalsContact O-CB 3.32Å; R29-P55 WeakPolarHBondContact O-CB 3.45Å; R29-P55 WeakPolarHBondContact O-CG 3.46Å; R29-A124 HydrophobicContact CG-CB 4.16Å; R29-V125 HydrophobicContact CG-CG2 4.33Å
30K87Confident85.5Confident109 Ų10971.5 Ų71.547%0.47434%0.337SS..SBendtrans-88.3145.6170.7-72.5177.9179.4172.90110.4H27 L28 T32H27-K30 PolarHBondContact CD2-NZ 2.71Å; H27-K30 PolarHBondContact NE2-NZ 3.26Å; H27-K30 VanDerWaalsContact NE2-NZ 3.17Å; H27-K30 WeakPolarHBondContact O-CG 3.44Å; L28-K30 PolarHBondContact O-N 3Å; K30-T32 PolarHBondContact O-N 3.5Å; K30-T32 PolarHBondContact O-OG1 3.15Å
31R91.5Very high85.3Confident151 Ų15167.2 Ų67.257%0.5732%0.318SS*.  trans-51.8118.7172.6-167.3179.3-156-1063.2108.7E33 I53 P55R31-E33 IonicContact NH1-OE2 3.75Å; R31-I53 WeakPolarHBondContact CG-O 3.45Å; R31-P55 HydrophobicContact CB-CG 4.43Å
32T92.4Very high84.8Confident6 Ų665.3 Ų65.34%0.03731%0.306CS..EExtended strand (participates in β ladder)trans-123.8128.5-174.5-62.80000108K30 I53 Y117 W118 R121K30-T32 PolarHBondContact O-N 3.5Å; K30-T32 PolarHBondContact O-OG1 3.15Å; T32-I53 PolarHBondContact O-N 3.17Å; T32-Y117 HydrophobicContact CG2-CE1 3.77Å; T32-W118 HydrophobicContact CG2-CH2 4.36Å; T32-W118 HydrophobicContact CG2-CZ3 4.36Å; T32-R121 WeakPolarHBondContact OG1-CD 3.38Å; T32-R121 PolarHBondContact OG1-NE 3.49Å
33E94.4Very high84.4Confident79 Ų7964.5 Ų64.537%0.36930%0.304SS..EExtended strand (participates in β ladder)trans-138.9155.817763.1173.7179.300110.7R31 W50 F51 V52 K69R31-E33 IonicContact NH1-OE2 3.75Å; E33-W50 HydrophobicContact CB-CZ2 4.45Å; E33-W50 HydrophobicContact CG-CZ2 4.12Å; E33-W50 PolarHBondContact OE2-NE1 3.17Å; E33-F51 CarbonylContact C-O 3.57Å; E33-F51 WeakPolarHBondContact CA-O 3.26Å; E33-F51 VanDerWaalsContact CB-O 3.26Å; E33-F51 WeakPolarHBondContact CB-O 3.12Å; E33-V52 HydrophobicContact CB-CB 4.37Å; E33-V52 HydrophobicContact CB-CG1 4.37Å; E33-V52 HydrophobicContact CB-CG2 3.99Å; E33-K69 VanDerWaalsContact CD-NZ 3.26Å; E33-K69 IonicContact OE1-NZ 2.58Å; E33-K69 PolarHBondContact OE1-NZ 3.46Å; E33-K69 WeakPolarHBondContact OE2-CD 3.32Å; E33-K69 IonicContact OE2-NZ 3.13Å; E33-K69 PolarHBondContact OE2-NZ 3.14Å
34G93.6Very high84.3Confident12 Ų1264.6 Ų64.612%0.12430%0.302CS..EExtended strand (participates in β ladder)trans166.8179.1179.400000112F51G34-F51 PolarHBondContact N-O 3.34Å; G34-F51 PolarHBondContact O-N 3.11Å
35Q94.3Very high84.4Confident116 Ų11660.2 Ų60.254%0.54229%0.287SS..EExtended strand (participates in β ladder)trans-88.8128.1-177.5-168.1176.44800110.4Y48 W50Q35-Y48 VanDerWaalsContact CD-CD1 3.49Å; Q35-Y48 HydrophobicContact CG-CD1 3.62Å; Q35-Y48 HydrophobicContact CG-CE1 4.37Å; Q35-Y48 HydrophobicContact CG-CG 4.31Å; Q35-W50 HydrophobicContact CB-CE3 4.13Å; Q35-W50 HydrophobicContact CB-CZ3 4.26Å
36L96.1Very high84.9Confident3 Ų359.6 Ų59.62%0.01628%0.283CS..EExtended strand (participates in β ladder)trans-127.9156169.6-67.1170.9000109.8K38 R49 F51 F95 L107 A109 W118L36-K38 PolarHBondContact O-N 3.19Å; L36-R49 PolarHBondContact N-O 3.33Å; L36-R49 PolarHBondContact O-N 3.05Å; L36-F51 HydrophobicContact CB-CD2 3.62Å; L36-F51 HydrophobicContact CB-CE2 3.77Å; L36-F51 HydrophobicContact CD1-CB 4.34Å; L36-F51 HydrophobicContact CD1-CD2 3.96Å; L36-F51 HydrophobicContact CD1-CE2 4.42Å; L36-F51 HydrophobicContact CD1-CG 4.1Å; L36-F51 HydrophobicContact CG-CD2 4.16Å; L36-F95 HydrophobicContact CD1-CZ 3.88Å; L36-F95 HydrophobicContact CD2-CE1 4.38Å; L36-F95 HydrophobicContact CD2-CZ 4.41Å; L36-L107 HydrophobicContact CD1-CD1 4.01Å; L36-A109 HydrophobicContact CD2-CB 4.07Å; L36-W118 HydrophobicContact CD1-CD2 3.71Å; L36-W118 HydrophobicContact CD1-CE3 3.79Å; L36-W118 HydrophobicContact CD1-CG 4.23Å; L36-W118 HydrophobicContact CD1-CH2 4.19Å; L36-W118 HydrophobicContact CD1-CZ2 4.12Å; L36-W118 HydrophobicContact CD1-CZ3 4.03Å; L36-W118 HydrophobicContact CD2-CD2 4.15Å; L36-W118 HydrophobicContact CD2-CG 4.09Å; L36-W118 HydrophobicContact CD2-CZ2 4.46Å; L36-W118 HydrophobicContact CG-CD2 4.17Å; L36-W118 HydrophobicContact CG-CH2 4.48Å; L36-W118 HydrophobicContact CG-CZ2 4.01Å
37L95.1Very high85.4Confident35 Ų3559 Ų5918%0.18328%0.277CS..EExtended strand (participates in β ladder)trans-84.1112.3169.4-77.2166.3000108.6Y46 Y48 L107 K108L37-Y46 HydrophobicContact CB-CD1 3.9Å; L37-Y46 HydrophobicContact CB-CG 4.34Å; L37-Y48 HydrophobicContact CD1-CE1 4.29Å; L37-Y48 HydrophobicContact CD2-CD1 3.56Å; L37-Y48 HydrophobicContact CD2-CD2 4.02Å; L37-Y48 HydrophobicContact CD2-CE1 3.57Å; L37-Y48 HydrophobicContact CD2-CE2 3.99Å; L37-Y48 HydrophobicContact CD2-CG 3.82Å; L37-Y48 HydrophobicContact CG-CD1 3.89Å; L37-Y48 HydrophobicContact CG-CE1 3.68Å; L37-L107 CarbonylContact O-C 3.56Å; L37-L107 WeakPolarHBondContact O-CA 3.15Å; L37-K108 HydrophobicContact CB-CB 4Å; L37-K108 PolarHBondContact N-O 2.93Å; L37-K108 PolarHBondContact O-N 2.81Å
38K93.1Very high85.8Confident27 Ų2760.6 Ų60.612%0.11728%0.28CS..EExtended strand (participates in β ladder)trans-94.2126.1174.4-176.5-177.6178.1-69.50109.5L36 T40 Q47 R49 F51 Y62 L105 L107L36-K38 PolarHBondContact O-N 3.19Å; K38-T40 PolarHBondContact O-N 3.1Å; K38-Q47 PolarHBondContact N-O 3.38Å; K38-Q47 PolarHBondContact O-N 2.73Å; K38-R49 HydrophobicContact CB-CB 4.26Å; K38-R49 HydrophobicContact CB-CG 3.77Å; K38-R49 HydrophobicContact CD-CG 4.16Å; K38-F51 HydrophobicContact CB-CE2 4.06Å; K38-F51 HydrophobicContact CB-CZ 3.89Å; K38-F51 HydrophobicContact CD-CZ 4.02Å; K38-F51 HydrophobicContact CG-CZ 4.12Å; K38-Y62 HydrophobicContact CD-CD2 3.95Å; K38-Y62 HydrophobicContact CD-CE1 4.34Å; K38-Y62 HydrophobicContact CD-CE2 3.75Å; K38-Y62 HydrophobicContact CD-CG 4.33Å; K38-L105 VanDerWaalsContact CE-CD2 3.5Å; K38-L107 HydrophobicContact CB-CD2 3.95Å; K38-L107 HydrophobicContact CG-CD2 3.9Å
39F86.8Confident86.3Confident33 Ų3359.9 Ų59.915%0.14527%0.273CS..EExtended strand (participates in β ladder)trans-65.6128.9168.5-166.3-90.2000109.6N41 V42 Y46 K106 I406F39-N41 VanDerWaalsContact CE1-C 3.48Å; F39-N41 WeakPolarHBondContact CZ-O 3.05Å; F39-V42 HydrophobicContact CZ-CG2 4.5Å; F39-Y46 HydrophobicContact CB-CD1 4.07Å; F39-Y46 HydrophobicContact CB-CE1 3.84Å; F39-Y46 HydrophobicContact CD2-CD1 4.44Å; F39-Y46 HydrophobicContact CD2-CD2 4.01Å; F39-Y46 HydrophobicContact CD2-CE1 4.29Å; F39-Y46 AromaticContact CD2-CE2 3.86Å; F39-Y46 HydrophobicContact CD2-CE2 3.86Å; F39-Y46 HydrophobicContact CD2-CG 4.31Å; F39-K106 HydrophobicContact CB-CB 3.91Å; F39-K106 HydrophobicContact CB-CD 4.39Å; F39-K106 HydrophobicContact CB-CG 4.22Å; F39-K106 PolarHBondContact N-O 2.96Å; F39-I406 HydrophobicContact CD1-CD1 3.33Å; F39-I406 HydrophobicContact CD1-CG1 3.82Å; F39-I406 HydrophobicContact CD2-CD1 4.44Å; F39-I406 HydrophobicContact CE1-CD1 3.16Å; F39-I406 HydrophobicContact CE1-CG1 3.52Å; F39-I406 HydrophobicContact CE2-CD1 4.29Å; F39-I406 HydrophobicContact CG-CD1 4Å; F39-I406 HydrophobicContact CZ-CD1 3.67Å; F39-I406 HydrophobicContact CZ-CG1 4.35Å
40T80.4Confident86.7Confident28 Ų2859.9 Ų59.917%0.17227%0.274CS..EExtended strand (participates in β ladder)trans-103.4-64.8-175.652.90000111.8K38 K44 G45 Q47K38-T40 PolarHBondContact O-N 3.1Å; T40-K44 WeakPolarHBondContact OG1-CB 3.42Å; T40-G45 PolarHBondContact N-O 2.87Å; T40-G45 PolarHBondContact OG1-O 2.79Å; T40-Q47 HydrophobicContact CG2-CB 3.75Å; T40-Q47 HydrophobicContact CG2-CG 3.7Å
41N70.5Confident87.1Confident21 Ų2154.7 Ų54.711%0.11225%0.251CS..EExtended strand (participates in β ladder)trans-156.5175.1169.560.823.6000108F39 M43 K44 G45 S402F39-N41 VanDerWaalsContact CE1-C 3.48Å; F39-N41 WeakPolarHBondContact CZ-O 3.05Å; N41-M43 PolarHBondContact O-N 3.05Å; N41-M43 PolarHBondContact OD1-N 3.23Å; N41-K44 PolarHBondContact O-N 3.47Å; N41-K44 VanDerWaalsContact OD1-CB 3.29Å; N41-K44 WeakPolarHBondContact OD1-CB 3.47Å; N41-K44 PolarHBondContact OD1-N 3.47Å; N41-G45 WeakPolarHBondContact O-CA 3.41Å; N41-G45 PolarHBondContact O-N 3.23Å; N41-S402 PolarHBondContact ND2-O 2.77Å
42V65.5Low87.3Confident28 Ų2847.6 Ų47.617%0.1722%0.224CC..THydrogen-bonded Turntrans-58.4-36.9-179.6176.10000112.3F39 F562 G564 M565 L600F39-V42 HydrophobicContact CZ-CG2 4.5Å; V42-F562 HydrophobicContact CG2-CE1 4.06Å; V42-F562 HydrophobicContact CG2-CZ 3.64Å; V42-G564 VanDerWaalsContact CG2-C 3.48Å; V42-G564 VanDerWaalsContact CG2-O 3.26Å; V42-G564 WeakPolarHBondContact CG2-O 3.38Å; V42-M565 HydrophobicContact CG1-SD 3.5Å; V42-M565 VanDerWaalsContact CG1-SD 3.5Å; V42-L600 HydrophobicContact CG1-CD1 3.91Å
43M65.4Low87.4Confident97 Ų9747.4 Ų47.448%0.47822%0.223SC..THydrogen-bonded Turntrans-72-39.8-176.6-62.6-57.2-68.700113.5N41 L398N41-M43 PolarHBondContact O-N 3.05Å; N41-M43 PolarHBondContact OD1-N 3.23Å; M43-L398 HydrophobicContact CE-CB 4.43Å; M43-L398 HydrophobicContact CE-CD2 3.87Å; M43-L398 HydrophobicContact SD-CD2 3.6Å; M43-L398 VanDerWaalsContact SD-CD2 3.6Å
44K75.1Confident87.3Confident139 Ų13945.2 Ų45.260%0.60421%0.214SC*.THydrogen-bonded Turntrans-96.2-16.4-177.2-68.6-179.2178.3-177.70112.5T40 N41 Q47T40-K44 WeakPolarHBondContact OG1-CB 3.42Å; N41-K44 PolarHBondContact O-N 3.47Å; N41-K44 VanDerWaalsContact OD1-CB 3.29Å; N41-K44 WeakPolarHBondContact OD1-CB 3.47Å; N41-K44 PolarHBondContact OD1-N 3.47Å; K44-Q47 HydrophobicContact CB-CG 4.43Å; K44-Q47 PolarHBondContact O-NE2 3.02Å
45G79.8Confident87.3Confident19 Ų1945.1 Ų45.120%0.19621%0.211CC..EExtended strand (participates in β ladder)trans58.4-143.2-177.600000113.2T40 N41T40-G45 PolarHBondContact N-O 2.87Å; T40-G45 PolarHBondContact OG1-O 2.79Å; N41-G45 WeakPolarHBondContact O-CA 3.41Å; N41-G45 PolarHBondContact O-N 3.23Å
46Y88Confident87.1Confident65 Ų6546.5 Ų46.526%0.25522%0.222SC..EExtended strand (participates in β ladder)trans-76.4132174.4-74.6-82.9000111.1L37 F39 K106 K108L37-Y46 HydrophobicContact CB-CD1 3.9Å; L37-Y46 HydrophobicContact CB-CG 4.34Å; F39-Y46 HydrophobicContact CB-CD1 4.07Å; F39-Y46 HydrophobicContact CB-CE1 3.84Å; F39-Y46 HydrophobicContact CD2-CD1 4.44Å; F39-Y46 HydrophobicContact CD2-CD2 4.01Å; F39-Y46 HydrophobicContact CD2-CE1 4.29Å; F39-Y46 AromaticContact CD2-CE2 3.86Å; F39-Y46 HydrophobicContact CD2-CE2 3.86Å; F39-Y46 HydrophobicContact CD2-CG 4.31Å; Y46-K106 HydrophobicContact CE1-CG 4.45Å; Y46-K106 WeakPolarHBondContact OH-CD 3.48Å; Y46-K106 WeakPolarHBondContact OH-CE 3.42Å; Y46-K108 HydrophobicContact CD1-CB 4.19Å; Y46-K108 HydrophobicContact CE1-CB 3.8Å
47Q89.3Confident86.8Confident74 Ų7448.3 Ų48.335%0.34624%0.237SC..EExtended strand (participates in β ladder)trans-126.8137.1177.1-64.9-69.1-43.800108.9K38 T40 K44 R49K38-Q47 PolarHBondContact N-O 3.38Å; K38-Q47 PolarHBondContact O-N 2.73Å; T40-Q47 HydrophobicContact CG2-CB 3.75Å; T40-Q47 HydrophobicContact CG2-CG 3.7Å; K44-Q47 HydrophobicContact CB-CG 4.43Å; K44-Q47 PolarHBondContact O-NE2 3.02Å; Q47-R49 PolarHBondContact O-N 3.25Å
48Y92.9Very high86.6Confident137 Ų13746.6 Ų46.654%0.53723%0.229SC..EExtended strand (participates in β ladder)trans-62131.5174.6-74-68000110.4Q35 L37Q35-Y48 VanDerWaalsContact CD-CD1 3.49Å; Q35-Y48 HydrophobicContact CG-CD1 3.62Å; Q35-Y48 HydrophobicContact CG-CE1 4.37Å; Q35-Y48 HydrophobicContact CG-CG 4.31Å; L37-Y48 HydrophobicContact CD1-CE1 4.29Å; L37-Y48 HydrophobicContact CD2-CD1 3.56Å; L37-Y48 HydrophobicContact CD2-CD2 4.02Å; L37-Y48 HydrophobicContact CD2-CE1 3.57Å; L37-Y48 HydrophobicContact CD2-CE2 3.99Å; L37-Y48 HydrophobicContact CD2-CG 3.82Å; L37-Y48 HydrophobicContact CG-CD1 3.89Å; L37-Y48 HydrophobicContact CG-CE1 3.68Å
49R94.1Very high86.6Confident37 Ų3750.2 Ų50.214%0.1424%0.241CC..EExtended strand (participates in β ladder)trans-136.3145.9173-62.6-64.8176.8-110.77.3108.6L36 K38 Q47 F51 Y62 Y63L36-R49 PolarHBondContact N-O 3.33Å; L36-R49 PolarHBondContact O-N 3.05Å; K38-R49 HydrophobicContact CB-CB 4.26Å; K38-R49 HydrophobicContact CB-CG 3.77Å; K38-R49 HydrophobicContact CD-CG 4.16Å; Q47-R49 PolarHBondContact O-N 3.25Å; R49-F51 HydrophobicContact CB-CD2 4.13Å; R49-F51 HydrophobicContact CB-CE2 3.61Å; R49-F51 HydrophobicContact CB-CZ 4.29Å; R49-F51 WeakPolarHBondContact O-CD2 3.21Å; R49-Y62 HydrophobicContact CB-CD2 4.33Å; R49-Y62 HydrophobicContact CG-CD2 4.17Å; R49-Y63 WeakPolarHBondContact CA-O 3.25Å; R49-Y63 WeakPolarHBondContact CB-O 3.48Å; R49-Y63 WeakPolarHBondContact CD-O 3.34Å
50W94.7Very high87Confident42 Ų4248.7 Ų48.716%0.15924%0.235CC..EExtended strand (participates in β ladder)trans-88.2117.3173.3-168.1-85000108.8E33 Q35 Y62 Y63 E66 K69E33-W50 HydrophobicContact CB-CZ2 4.45Å; E33-W50 HydrophobicContact CG-CZ2 4.12Å; E33-W50 PolarHBondContact OE2-NE1 3.17Å; Q35-W50 HydrophobicContact CB-CE3 4.13Å; Q35-W50 HydrophobicContact CB-CZ3 4.26Å; W50-Y62 CarbonylContact O-C 3.57Å; W50-Y62 VanDerWaalsContact O-CA 3.25Å; W50-Y62 WeakPolarHBondContact O-CA 3.41Å; W50-Y63 PolarHBondContact N-O 3.25Å; W50-Y63 PolarHBondContact O-N 3.12Å; W50-E66 HydrophobicContact CD2-CB 3.79Å; W50-E66 HydrophobicContact CD2-CG 3.66Å; W50-E66 HydrophobicContact CE3-CB 3.73Å; W50-E66 HydrophobicContact CE3-CG 3.89Å; W50-E66 HydrophobicContact CG-CB 4.17Å; W50-E66 HydrophobicContact CG-CG 4.2Å; W50-E66 HydrophobicContact CH2-CG 4.02Å; W50-E66 WeakPolarHBondContact CH2-OE2 3.28Å; W50-E66 HydrophobicContact CZ2-CG 3.85Å; W50-E66 WeakPolarHBondContact CZ2-OE1 3.33Å; W50-E66 HydrophobicContact CZ3-CB 4.16Å; W50-E66 HydrophobicContact CZ3-CG 4.06Å; W50-E66 WeakPolarHBondContact CZ3-OE2 3.49Å; W50-K69 VanDerWaalsContact CD1-CD 3.47Å; W50-K69 HydrophobicContact CG-CD 4.47Å
51F96.5Very high87.6Confident0 Ų048.2 Ų48.20%023%0.231CC..EExtended strand (participates in β ladder)trans-100.5145.3-179.9-76.9-96.5000110.7E33 G34 L36 K38 R49 I60 E61 Y62 L107 W118E33-F51 CarbonylContact C-O 3.57Å; E33-F51 WeakPolarHBondContact CA-O 3.26Å; E33-F51 VanDerWaalsContact CB-O 3.26Å; E33-F51 WeakPolarHBondContact CB-O 3.12Å; G34-F51 PolarHBondContact N-O 3.34Å; G34-F51 PolarHBondContact O-N 3.11Å; L36-F51 HydrophobicContact CB-CD2 3.62Å; L36-F51 HydrophobicContact CB-CE2 3.77Å; L36-F51 HydrophobicContact CD1-CB 4.34Å; L36-F51 HydrophobicContact CD1-CD2 3.96Å; L36-F51 HydrophobicContact CD1-CE2 4.42Å; L36-F51 HydrophobicContact CD1-CG 4.1Å; L36-F51 HydrophobicContact CG-CD2 4.16Å; K38-F51 HydrophobicContact CB-CE2 4.06Å; K38-F51 HydrophobicContact CB-CZ 3.89Å; K38-F51 HydrophobicContact CD-CZ 4.02Å; K38-F51 HydrophobicContact CG-CZ 4.12Å; R49-F51 HydrophobicContact CB-CD2 4.13Å; R49-F51 HydrophobicContact CB-CE2 3.61Å; R49-F51 HydrophobicContact CB-CZ 4.29Å; R49-F51 WeakPolarHBondContact O-CD2 3.21Å; F51-I60 HydrophobicContact CD1-CD1 3.51Å; F51-I60 HydrophobicContact CD1-CG1 3.93Å; F51-I60 HydrophobicContact CE1-CD1 4.13Å; F51-I60 HydrophobicContact CG-CD1 4.42Å; F51-E61 CarbonylContact C-O 3.58Å; F51-E61 WeakPolarHBondContact CA-O 3.48Å; F51-Y62 VanDerWaalsContact CE1-CB 3.46Å; F51-Y62 HydrophobicContact CE1-CD1 4.07Å; F51-Y62 AromaticContact CE1-CG 3.97Å; F51-Y62 HydrophobicContact CE1-CG 3.97Å; F51-Y62 HydrophobicContact CZ-CG 4.17Å; F51-L107 HydrophobicContact CE1-CD1 4.02Å; F51-L107 HydrophobicContact CE1-CD2 3.91Å; F51-L107 HydrophobicContact CE2-CD2 3.94Å; F51-L107 HydrophobicContact CZ-CD1 4.14Å; F51-L107 HydrophobicContact CZ-CD2 3.29Å; F51-L107 HydrophobicContact CZ-CG 4.39Å; F51-W118 HydrophobicContact CB-CH2 3.82Å; F51-W118 HydrophobicContact CB-CZ3 4.03Å
52V95Very high88.7Confident2 Ų249 Ų491%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-134119.6175.5-174.60000107.7E33 E61 Y63 K69E33-V52 HydrophobicContact CB-CB 4.37Å; E33-V52 HydrophobicContact CB-CG1 4.37Å; E33-V52 HydrophobicContact CB-CG2 3.99Å; V52-E61 PolarHBondContact N-O 3.38Å; V52-E61 PolarHBondContact O-N 3.46Å; V52-Y63 HydrophobicContact CG2-CD2 4.32Å; V52-Y63 HydrophobicContact CG2-CE2 3.98Å; V52-K69 HydrophobicContact CG2-CD 3.7Å; V52-K69 HydrophobicContact CG2-CG 4.28Å
53I95.5Very high90Very high1 Ų148.6 Ų48.61%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-90.1120169.5-57173.3000106.9R31 T32 P55 I60 L80 W118 R121 L122 V125R31-I53 WeakPolarHBondContact CG-O 3.45Å; T32-I53 PolarHBondContact O-N 3.17Å; I53-P55 VanDerWaalsContact O-CD 3.25Å; I53-P55 WeakPolarHBondContact O-CD 3.07Å; I53-I60 HydrophobicContact CG1-CD1 4.41Å; I53-I60 HydrophobicContact CG1-CG1 4.18Å; I53-L80 HydrophobicContact CG2-CD1 4.28Å; I53-W118 HydrophobicContact CD1-CE3 3.82Å; I53-W118 HydrophobicContact CD1-CZ3 3.74Å; I53-W118 HydrophobicContact CG1-CE3 4.49Å; I53-W118 HydrophobicContact CG1-CZ3 3.96Å; I53-R121 HydrophobicContact CD1-CB 4.37Å; I53-L122 HydrophobicContact CD1-CD2 3.43Å; I53-L122 VanDerWaalsContact CD1-CD2 3.43Å; I53-L122 HydrophobicContact CD1-CG 3.68Å; I53-L122 HydrophobicContact CG1-CD2 3.78Å; I53-V125 HydrophobicContact CG2-CB 4.46Å; I53-V125 HydrophobicContact CG2-CG1 4.44Å; I53-V125 HydrophobicContact CG2-CG2 3.94Å
54D92.7Very high91.1Very high33 Ų3348.7 Ų48.718%0.17623%0.227CC..EExtended strand (participates in β ladder)trans-97.198.3170.3-170.3-25.8000108.5D56 A57 G58 R59D54-D56 PolarHBondContact O-N 2.85Å; D54-D56 PolarHBondContact OD1-N 2.84Å; D54-D56 VanDerWaalsContact OD1-N 3.1Å; D54-A57 HydrophobicContact CB-CB 4.16Å; D54-A57 PolarHBondContact OD1-N 3.34Å; D54-G58 PolarHBondContact O-N 3Å; D54-R59 HydrophobicContact CB-CG 4.11Å; D54-R59 PolarHBondContact N-O 3.39Å; D54-R59 PolarHBondContact O-N 3.03Å
55P92.4Very high91.6Very high10 Ų1048 Ų487%0.06522%0.224CC..THydrogen-bonded Turntrans-70.4-20.1-177.231.9-38000112.4R29 R31 I53 V125 H129R29-P55 HydrophobicContact CB-CB 4.43Å; R29-P55 VanDerWaalsContact O-CB 3.32Å; R29-P55 WeakPolarHBondContact O-CB 3.45Å; R29-P55 WeakPolarHBondContact O-CG 3.46Å; R31-P55 HydrophobicContact CB-CG 4.43Å; I53-P55 VanDerWaalsContact O-CD 3.25Å; I53-P55 WeakPolarHBondContact O-CD 3.07Å; P55-V125 HydrophobicContact CB-CG2 3.89Å; P55-H129 PolarHBondContact O-NE2 3.38Å
56D90.1Very high92Very high145 Ų14551.4 Ų51.478%0.77524%0.235SC*.THydrogen-bonded Turntrans-83.1-40-179.6-63.1-39.9000110.5D54 H129D54-D56 PolarHBondContact O-N 2.85Å; D54-D56 PolarHBondContact OD1-N 2.84Å; D54-D56 VanDerWaalsContact OD1-N 3.1Å; D56-H129 PolarHBondContact O-CE1 2.96Å; D56-H129 VanDerWaalsContact O-CE1 3.23Å
57A89.5Confident91.9Very high41 Ų4154 Ų5434%0.33925%0.254SS..THydrogen-bonded Turntrans-85.4-9.5177.100000114.2D54 R59D54-A57 HydrophobicContact CB-CB 4.16Å; D54-A57 PolarHBondContact OD1-N 3.34Å; A57-R59 HydrophobicContact CB-CG 3.92Å; A57-R59 PolarHBondContact O-N 2.98Å
58G91.5Very high91.7Very high0 Ų052.7 Ų52.70%025%0.247CC..THydrogen-bonded Turntrans67.135.3179.300000113.2D54 L80 H129D54-G58 PolarHBondContact O-N 3Å; G58-L80 WeakPolarHBondContact O-CB 3.25Å; G58-L80 PolarHBondContact O-N 3.46Å; G58-H129 WeakPolarHBondContact CA-CD2 3.42Å; G58-H129 VanDerWaalsContact CA-NE2 3.28Å; G58-H129 WeakPolarHBondContact CA-NE2 3.12Å; G58-H129 PolarHBondContact N-CE1 3.19Å; G58-H129 PolarHBondContact N-NE2 2.99Å
59R93.2Very high91.1Very high102 Ų10248.5 Ų48.539%0.38523%0.232SC..EExtended strand (participates in β ladder)trans-138153.8-174.770.1-169.8-165.4-139.81.5112.6D54 A57 E61 L78D54-R59 HydrophobicContact CB-CG 4.11Å; D54-R59 PolarHBondContact N-O 3.39Å; D54-R59 PolarHBondContact O-N 3.03Å; A57-R59 HydrophobicContact CB-CG 3.92Å; A57-R59 PolarHBondContact O-N 2.98Å; R59-E61 IonicContact CZ-OE1 2.72Å; R59-E61 IonicContact NE-OE1 2.61Å; R59-E61 PolarHBondContact NE-OE1 3.32Å; R59-E61 IonicContact NH2-OE1 3.34Å; R59-E61 PolarHBondContact NH2-OE1 3.14Å; R59-L78 CarbonylContact C-O 3.53Å; R59-L78 VanDerWaalsContact CA-O 3.28Å; R59-L78 WeakPolarHBondContact CA-O 3.34Å; R59-L78 WeakPolarHBondContact CB-O 3.48Å
60I95Very high90.2Very high1 Ų158.2 Ų58.21%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-111.3130.5169.6-171.1-177.4000109.4F51 I53 A77 L78 L80 I97 L105 L122F51-I60 HydrophobicContact CD1-CD1 3.51Å; F51-I60 HydrophobicContact CD1-CG1 3.93Å; F51-I60 HydrophobicContact CE1-CD1 4.13Å; F51-I60 HydrophobicContact CG-CD1 4.42Å; I53-I60 HydrophobicContact CG1-CD1 4.41Å; I53-I60 HydrophobicContact CG1-CG1 4.18Å; I60-A77 CarbonylContact O-C 3.57Å; I60-A77 VanDerWaalsContact O-CA 3.32Å; I60-A77 WeakPolarHBondContact O-CA 3.35Å; I60-L78 HydrophobicContact CG2-CB 3.76Å; I60-L78 HydrophobicContact CG2-CD2 4.49Å; I60-L78 PolarHBondContact N-O 3.46Å; I60-L78 PolarHBondContact O-N 3.29Å; I60-L80 HydrophobicContact CB-CD1 4.27Å; I60-L80 HydrophobicContact CB-CD2 4.37Å; I60-L80 HydrophobicContact CB-CG 4.41Å; I60-L80 HydrophobicContact CG2-CD2 3.9Å; I60-L80 HydrophobicContact CG2-CG 4.29Å; I60-I97 HydrophobicContact CD1-CD1 3.88Å; I60-I97 HydrophobicContact CG2-CD1 4.46Å; I60-L105 HydrophobicContact CG2-CD1 4.44Å; I60-L122 HydrophobicContact CB-CD2 4.42Å; I60-L122 HydrophobicContact CD1-CD2 3.81Å; I60-L122 HydrophobicContact CG1-CD2 4.45Å
61E94.2Very high89.2Confident18 Ų1860.6 Ų60.68%0.08429%0.291CS..EExtended strand (participates in β ladder)trans-115.5150.8176.9-64.1179.7-17600110F51 V52 R59 Y63 P74 G76 A77F51-E61 CarbonylContact C-O 3.58Å; F51-E61 WeakPolarHBondContact CA-O 3.48Å; V52-E61 PolarHBondContact N-O 3.38Å; V52-E61 PolarHBondContact O-N 3.46Å; R59-E61 IonicContact CZ-OE1 2.72Å; R59-E61 IonicContact NE-OE1 2.61Å; R59-E61 PolarHBondContact NE-OE1 3.32Å; R59-E61 IonicContact NH2-OE1 3.34Å; R59-E61 PolarHBondContact NH2-OE1 3.14Å; E61-Y63 HydrophobicContact CB-CE2 4.13Å; E61-Y63 PolarHBondContact OE2-OH 3Å; E61-P74 HydrophobicContact CB-CB 4.07Å; E61-P74 HydrophobicContact CG-CB 4.35Å; E61-P74 HydrophobicContact CG-CG 4.47Å; E61-G76 WeakPolarHBondContact CA-O 3.49Å; E61-A77 HydrophobicContact CG-CB 3.9Å
62Y93.3Very high88.2Confident39 Ų3965.2 Ų65.215%0.15332%0.316CS..EExtended strand (participates in β ladder)trans-136.2146.8172.470.2-88000112.9K38 R49 W50 F51 R75 G76 L105K38-Y62 HydrophobicContact CD-CD2 3.95Å; K38-Y62 HydrophobicContact CD-CE1 4.34Å; K38-Y62 HydrophobicContact CD-CE2 3.75Å; K38-Y62 HydrophobicContact CD-CG 4.33Å; R49-Y62 HydrophobicContact CB-CD2 4.33Å; R49-Y62 HydrophobicContact CG-CD2 4.17Å; W50-Y62 CarbonylContact O-C 3.57Å; W50-Y62 VanDerWaalsContact O-CA 3.25Å; W50-Y62 WeakPolarHBondContact O-CA 3.41Å; F51-Y62 VanDerWaalsContact CE1-CB 3.46Å; F51-Y62 HydrophobicContact CE1-CD1 4.07Å; F51-Y62 AromaticContact CE1-CG 3.97Å; F51-Y62 HydrophobicContact CE1-CG 3.97Å; F51-Y62 HydrophobicContact CZ-CG 4.17Å; Y62-R75 HydrophobicContact CD2-CB 3.98Å; Y62-R75 HydrophobicContact CD2-CG 4.31Å; Y62-R75 HydrophobicContact CE2-CB 3.76Å; Y62-R75 HydrophobicContact CE2-CG 3.66Å; Y62-R75 WeakPolarHBondContact O-CA 3.42Å; Y62-R75 WeakPolarHBondContact O-CB 3.34Å; Y62-R75 PolarHBondContact O-N 3.46Å; Y62-G76 WeakPolarHBondContact CD1-O 3.4Å; Y62-G76 VanDerWaalsContact CE1-CA 3.42Å; Y62-G76 PolarHBondContact N-O 3.5Å; Y62-G76 PolarHBondContact O-N 3.27Å; Y62-L105 HydrophobicContact CE1-CD2 4.49Å
63Y93Very high87.6Confident18 Ų1874.3 Ų74.37%0.07136%0.355CS..EExtended strand (participates in β ladder)trans-124.4157-177.6-58.1-98.3000109.6R49 W50 V52 E61 K65 H68 K69 P74R49-Y63 WeakPolarHBondContact CA-O 3.25Å; R49-Y63 WeakPolarHBondContact CB-O 3.48Å; R49-Y63 WeakPolarHBondContact CD-O 3.34Å; W50-Y63 PolarHBondContact N-O 3.25Å; W50-Y63 PolarHBondContact O-N 3.12Å; V52-Y63 HydrophobicContact CG2-CD2 4.32Å; V52-Y63 HydrophobicContact CG2-CE2 3.98Å; E61-Y63 HydrophobicContact CB-CE2 4.13Å; E61-Y63 PolarHBondContact OE2-OH 3Å; Y63-K65 VanDerWaalsContact C-N 3.33Å; Y63-K65 WeakPolarHBondContact CB-O 3.33Å; Y63-H68 HydrophobicContact CD1-CB 4.32Å; Y63-K69 HydrophobicContact CD1-CG 4.36Å; Y63-K69 HydrophobicContact CD2-CG 3.67Å; Y63-K69 HydrophobicContact CE1-CG 4.4Å; Y63-K69 HydrophobicContact CE2-CG 3.74Å; Y63-K69 HydrophobicContact CG-CG 3.99Å; Y63-P74 HydrophobicContact CD1-CB 4.4Å; Y63-P74 VanDerWaalsContact CE1-CA 3.44Å; Y63-P74 HydrophobicContact CE1-CB 3.84Å; Y63-P74 HydrophobicContact CE2-CB 4.3Å
64E86.5Confident87.2Confident99 Ų9976.4 Ų76.446%0.46337%0.369SS..SBendtrans-66.3-38.1177.8-173.8167.7-147.600112.2H68E64-H68 IonicContact OE2-CE1 3.3Å
65K86.5Confident86.9Confident126 Ų12683.5 Ų83.555%0.54839%0.393SS..SBendtrans-140.3164175.8-63.4-176.5-178.9179.80110Y63 D67 H68Y63-K65 VanDerWaalsContact C-N 3.33Å; Y63-K65 WeakPolarHBondContact CB-O 3.33Å; K65-D67 VanDerWaalsContact C-N 3.35Å; K65-D67 PolarHBondContact O-N 2.77Å; K65-H68 WeakPolarHBondContact O-CB 3.46Å; K65-H68 PolarHBondContact O-N 3.03Å
66E88.4Confident86.6Confident89 Ų8983.9 Ų83.942%0.41640%0.399SS..THydrogen-bonded Turntrans-58.2-45.8177.8-168.4176.8-179.800112.2W50 H68 K69W50-E66 HydrophobicContact CD2-CB 3.79Å; W50-E66 HydrophobicContact CD2-CG 3.66Å; W50-E66 HydrophobicContact CE3-CB 3.73Å; W50-E66 HydrophobicContact CE3-CG 3.89Å; W50-E66 HydrophobicContact CG-CB 4.17Å; W50-E66 HydrophobicContact CG-CG 4.2Å; W50-E66 HydrophobicContact CH2-CG 4.02Å; W50-E66 WeakPolarHBondContact CH2-OE2 3.28Å; W50-E66 HydrophobicContact CZ2-CG 3.85Å; W50-E66 WeakPolarHBondContact CZ2-OE1 3.33Å; W50-E66 HydrophobicContact CZ3-CB 4.16Å; W50-E66 HydrophobicContact CZ3-CG 4.06Å; W50-E66 WeakPolarHBondContact CZ3-OE2 3.49Å; E66-H68 PolarHBondContact O-N 3.36Å; E66-H68 VanDerWaalsContact O-N 3.11Å; E66-K69 VanDerWaalsContact CG-NZ 3.3Å; E66-K69 WeakPolarHBondContact O-CB 3.44Å; E66-K69 WeakPolarHBondContact O-CE 3.39Å; E66-K69 WeakPolarHBondContact O-CG 3.33Å; E66-K69 PolarHBondContact O-N 3.39Å; E66-K69 VanDerWaalsContact O-N 3.12Å; E66-K69 IonicContact OE1-NZ 3.6Å; E66-K69 PolarHBondContact OE1-NZ 2.9Å; E66-K69 VanDerWaalsContact OE1-NZ 3.13Å
67D84.9Confident86.6Confident121 Ų12179.8 Ų79.865%0.64739%0.385SS*.THydrogen-bonded Turntrans-61.4-25.5-176.1-56.8-40.7000113.4K65 K69 R70K65-D67 VanDerWaalsContact C-N 3.35Å; K65-D67 PolarHBondContact O-N 2.77Å; D67-K69 PolarHBondContact O-N 3.28Å; D67-R70 PolarHBondContact O-N 2.68Å
68H85Confident86.7Confident46 Ų4678.3 Ų78.321%0.21337%0.371CS..Hα-helixtrans-69.7-17.7-178.1-66.3-167.4000112.3Y63 E64 K65 E66 R70 S71 L72Y63-H68 HydrophobicContact CD1-CB 4.32Å; E64-H68 IonicContact OE2-CE1 3.3Å; K65-H68 WeakPolarHBondContact O-CB 3.46Å; K65-H68 PolarHBondContact O-N 3.03Å; E66-H68 PolarHBondContact O-N 3.36Å; E66-H68 VanDerWaalsContact O-N 3.11Å; H68-R70 PolarHBondContact O-N 3.01Å; H68-S71 PolarHBondContact O-N 3.31Å; H68-L72 HydrophobicContact CB-CB 4.28Å; H68-L72 HydrophobicContact CB-CD1 3.84Å; H68-L72 WeakPolarHBondContact O-CB 3.04Å; H68-L72 PolarHBondContact O-N 3.47Å
69K80.7Confident86.6Confident48 Ų4881.1 Ų81.121%0.20939%0.391CS..Hα-helixtrans-54.9-33.4175-74.1-178.5-81.4173.20113.1E33 W50 V52 Y63 E66 D67E33-K69 VanDerWaalsContact CD-NZ 3.26Å; E33-K69 IonicContact OE1-NZ 2.58Å; E33-K69 PolarHBondContact OE1-NZ 3.46Å; E33-K69 WeakPolarHBondContact OE2-CD 3.32Å; E33-K69 IonicContact OE2-NZ 3.13Å; E33-K69 PolarHBondContact OE2-NZ 3.14Å; W50-K69 VanDerWaalsContact CD1-CD 3.47Å; W50-K69 HydrophobicContact CG-CD 4.47Å; V52-K69 HydrophobicContact CG2-CD 3.7Å; V52-K69 HydrophobicContact CG2-CG 4.28Å; Y63-K69 HydrophobicContact CD1-CG 4.36Å; Y63-K69 HydrophobicContact CD2-CG 3.67Å; Y63-K69 HydrophobicContact CE1-CG 4.4Å; Y63-K69 HydrophobicContact CE2-CG 3.74Å; Y63-K69 HydrophobicContact CG-CG 3.99Å; E66-K69 VanDerWaalsContact CG-NZ 3.3Å; E66-K69 WeakPolarHBondContact O-CB 3.44Å; E66-K69 WeakPolarHBondContact O-CE 3.39Å; E66-K69 WeakPolarHBondContact O-CG 3.33Å; E66-K69 PolarHBondContact O-N 3.39Å; E66-K69 VanDerWaalsContact O-N 3.12Å; E66-K69 IonicContact OE1-NZ 3.6Å; E66-K69 PolarHBondContact OE1-NZ 2.9Å; E66-K69 VanDerWaalsContact OE1-NZ 3.13Å; D67-K69 PolarHBondContact O-N 3.28Å
70R76.6Confident86.6Confident241 Ų24176.2 Ų76.291%0.90937%0.373SS*.Hα-helixtrans-90-25.4-173-64.9-177.8-175.9-96.30.8113.6D67 H68D67-R70 PolarHBondContact O-N 2.68Å; H68-R70 PolarHBondContact O-N 3.01Å
71S72.7Confident86.3Confident92 Ų9278.8 Ų78.864%0.64339%0.386SS*.Hα-helixtrans-120.1-16.8-167.454.90000114.1H68H68-S71 PolarHBondContact O-N 3.31Å
72L75.8Confident86Confident97 Ų9783.4 Ų83.451%0.50840%0.403SS..SBendtrans-129.8150.9-171.5-69.3163000111.3H68H68-L72 HydrophobicContact CB-CB 4.28Å; H68-L72 HydrophobicContact CB-CD1 3.84Å; H68-L72 WeakPolarHBondContact O-CB 3.04Å; H68-L72 PolarHBondContact O-N 3.47Å
73K83.3Confident85.7Confident193 Ų19382.2 Ų82.284%0.83940%0.401SS*.  trans-60.8147.3166.1-75.8-177.9175.2-179.20109.7
74P86.3Confident85.5Confident46 Ų4684 Ų8430%0.29942%0.416SS..  trans-56143.2176.323.6-33.1000110.8E61 Y63 G76E61-P74 HydrophobicContact CB-CB 4.07Å; E61-P74 HydrophobicContact CG-CB 4.35Å; E61-P74 HydrophobicContact CG-CG 4.47Å; Y63-P74 HydrophobicContact CD1-CB 4.4Å; Y63-P74 VanDerWaalsContact CE1-CA 3.44Å; Y63-P74 HydrophobicContact CE1-CB 3.84Å; Y63-P74 HydrophobicContact CE2-CB 4.3Å; P74-G76 PolarHBondContact O-N 3.14Å
75R86.5Confident85.8Confident182 Ų18279.8 Ų79.869%0.68740%0.397SS*.SBendtrans-67.3-28.6178.2-176.561.4177.8-170.71.7111.3Y62Y62-R75 HydrophobicContact CD2-CB 3.98Å; Y62-R75 HydrophobicContact CD2-CG 4.31Å; Y62-R75 HydrophobicContact CE2-CB 3.76Å; Y62-R75 HydrophobicContact CE2-CG 3.66Å; Y62-R75 WeakPolarHBondContact O-CA 3.42Å; Y62-R75 WeakPolarHBondContact O-CB 3.34Å; Y62-R75 PolarHBondContact O-N 3.46Å
76G86.2Confident86Confident18 Ų1876.3 Ų76.319%0.18639%0.388CS..EExtended strand (participates in β ladder)trans-163.2158.4164.300000110.4E61 Y62 P74E61-G76 WeakPolarHBondContact CA-O 3.49Å; Y62-G76 WeakPolarHBondContact CD1-O 3.4Å; Y62-G76 VanDerWaalsContact CE1-CA 3.42Å; Y62-G76 PolarHBondContact N-O 3.5Å; Y62-G76 PolarHBondContact O-N 3.27Å; P74-G76 PolarHBondContact O-N 3.14Å
77A90.4Very high86.1Confident58 Ų5873.8 Ų73.848%0.47938%0.379SS..EExtended strand (participates in β ladder)trans-133.9146.2176.300000108.2I60 E61I60-A77 CarbonylContact O-C 3.57Å; I60-A77 VanDerWaalsContact O-CA 3.32Å; I60-A77 WeakPolarHBondContact O-CA 3.35Å; E61-A77 HydrophobicContact CG-CB 3.9Å
78L90.5Very high86.2Confident10 Ų1068.3 Ų68.35%0.05235%0.35CS..EExtended strand (participates in β ladder)trans-136.1130.2179.9-167.473.5000109.4R59 I60 I97 A99 D103 L105R59-L78 CarbonylContact C-O 3.53Å; R59-L78 VanDerWaalsContact CA-O 3.28Å; R59-L78 WeakPolarHBondContact CA-O 3.34Å; R59-L78 WeakPolarHBondContact CB-O 3.48Å; I60-L78 HydrophobicContact CG2-CB 3.76Å; I60-L78 HydrophobicContact CG2-CD2 4.49Å; I60-L78 PolarHBondContact N-O 3.46Å; I60-L78 PolarHBondContact O-N 3.29Å; L78-I97 HydrophobicContact CD2-CB 4.42Å; L78-I97 HydrophobicContact CD2-CG2 3.8Å; L78-A99 HydrophobicContact CD1-CB 3.52Å; L78-A99 HydrophobicContact CD2-CB 3.78Å; L78-A99 HydrophobicContact CG-CB 3.66Å; L78-D103 HydrophobicContact CD1-CB 3.54Å; L78-L105 HydrophobicContact CB-CD1 4.33Å; L78-L105 HydrophobicContact CD2-CD1 3.7Å; L78-L105 HydrophobicContact CD2-CG 4.02Å
79S90.4Very high86Confident59 Ų5974.3 Ų74.341%0.41338%0.384SS..EExtended strand (participates in β ladder)trans-69.2133.7171.5-177.10000109.7I81S79-I81 WeakPolarHBondContact OG-CG1 3.42Å; S79-I81 PolarHBondContact OG-N 2.72Å
80L93Very high85.7Confident0 Ų077.6 Ų77.60%040%0.4CS..  trans-92.8-4.3175.3-64.6174.6000112.3I53 G58 I60 Y82 A83 I97 L122 V125 A126I53-L80 HydrophobicContact CG2-CD1 4.28Å; G58-L80 WeakPolarHBondContact O-CB 3.25Å; G58-L80 PolarHBondContact O-N 3.46Å; I60-L80 HydrophobicContact CB-CD1 4.27Å; I60-L80 HydrophobicContact CB-CD2 4.37Å; I60-L80 HydrophobicContact CB-CG 4.41Å; I60-L80 HydrophobicContact CG2-CD2 3.9Å; I60-L80 HydrophobicContact CG2-CG 4.29Å; L80-Y82 PolarHBondContact O-N 3.4Å; L80-A83 HydrophobicContact CD2-CB 4.31Å; L80-A83 WeakPolarHBondContact O-CB 3.34Å; L80-A83 PolarHBondContact O-N 3.33Å; L80-I97 HydrophobicContact CD2-CG2 4.07Å; L80-L122 HydrophobicContact CD1-CD2 3.85Å; L80-L122 HydrophobicContact CD2-CD2 4.09Å; L80-V125 HydrophobicContact CB-CG1 4.5Å; L80-V125 HydrophobicContact CD1-CB 4.17Å; L80-V125 HydrophobicContact CD1-CG1 3.76Å; L80-A126 HydrophobicContact CB-CB 4.24Å; L80-A126 WeakPolarHBondContact O-CA 3.3Å; L80-A126 WeakPolarHBondContact O-CB 3.37Å
81I88.7Confident86.2Confident55 Ų5568.4 Ų68.428%0.28237%0.369SS..THydrogen-bonded Turntrans-62.5123.3175-46.3-177.2000108.7S79 A83 H129 A133S79-I81 WeakPolarHBondContact OG-CG1 3.42Å; S79-I81 PolarHBondContact OG-N 2.72Å; I81-A83 PolarHBondContact O-N 3.15Å; I81-A83 VanDerWaalsContact O-N 3.14Å; I81-H129 HydrophobicContact CG1-CB 3.99Å; I81-A133 HydrophobicContact CG2-CB 4.14Å
82Y87.4Confident87Confident115 Ų11567.2 Ų67.245%0.45136%0.36SS..THydrogen-bonded Turntrans54.820.8-172.6-49.8-64000115L80 S130 A133 E134L80-Y82 PolarHBondContact O-N 3.4Å; Y82-S130 WeakPolarHBondContact CA-OG 3.24Å; Y82-S130 PolarHBondContact N-OG 3.47Å; Y82-A133 HydrophobicContact CE2-CB 4.41Å; Y82-E134 HydrophobicContact CE1-CG 4.47Å
83A87.2Confident87.9Confident13 Ų1365.3 Ų65.311%0.10735%0.349CS..  trans-76.3139.4174.800000110.9L80 I81 I85 I97 N98L80-A83 HydrophobicContact CD2-CB 4.31Å; L80-A83 WeakPolarHBondContact O-CB 3.34Å; L80-A83 PolarHBondContact O-N 3.33Å; I81-A83 PolarHBondContact O-N 3.15Å; I81-A83 VanDerWaalsContact O-N 3.14Å; A83-I85 HydrophobicContact CB-CD1 4.4Å; A83-I97 HydrophobicContact CB-CG2 4.28Å; A83-N98 CarbonylContact C-O 3.54Å; A83-N98 VanDerWaalsContact CA-O 3.25Å; A83-N98 WeakPolarHBondContact CA-O 3.48Å
84S88.1Confident88.3Confident56 Ų5656.1 Ų56.139%0.39231%0.309SS..EExtended strand (participates in β ladder)trans-98.7132.4171.362.20000110.8N98S84-N98 PolarHBondContact N-O 3.33Å; S84-N98 PolarHBondContact O-N 2.77Å; S84-N98 WeakPolarHBondContact OG-CB 3.36Å; S84-N98 PolarHBondContact OG-ND2 2.91Å
85I94Very high88.7Confident10 Ų1054 Ų545%0.05130%0.295CS..EExtended strand (participates in β ladder)trans-115.3111.3-179.3-63.986.5000109.3A83 F96 I97 V119 L122 R123 A126A83-I85 HydrophobicContact CB-CD1 4.4Å; I85-F96 WeakPolarHBondContact CA-O 3.49Å; I85-I97 HydrophobicContact CG1-CG1 4.37Å; I85-I97 HydrophobicContact CG1-CG2 4.38Å; I85-V119 HydrophobicContact CG2-CB 4.3Å; I85-V119 HydrophobicContact CG2-CG1 4Å; I85-V119 HydrophobicContact CG2-CG2 4.05Å; I85-L122 HydrophobicContact CD1-CB 4.34Å; I85-L122 HydrophobicContact CG1-CB 3.9Å; I85-L122 HydrophobicContact CG2-CB 4.47Å; I85-R123 HydrophobicContact CB-CG 3.86Å; I85-R123 HydrophobicContact CD1-CG 4.39Å; I85-R123 HydrophobicContact CG1-CG 4.49Å; I85-R123 HydrophobicContact CG2-CG 4.3Å; I85-R123 PolarHBondContact O-NE 2.88Å; I85-R123 VanDerWaalsContact O-NE 3.14Å; I85-R123 PolarHBondContact O-NH2 3.39Å; I85-A126 HydrophobicContact CD1-CB 3.86Å
86C90.8Very high89Confident53 Ų5347.1 Ų47.136%0.35827%0.27SS..EExtended strand (participates in β ladder)trans-119.1112.4-172.3-57.70000110.3F95 F96C86-F95 CarbonylContact O-C 3.59Å; C86-F95 WeakPolarHBondContact O-CA 3.49Å; C86-F96 PolarHBondContact N-O 2.73Å; C86-F96 PolarHBondContact O-N 3.03Å
87P90.7Very high89.4Confident36 Ų3646.3 Ų46.323%0.23426%0.262CS..EExtended strand (participates in β ladder)trans-51.9142.9161.8-24.533.4000110.2V119P87-V119 HydrophobicContact CG-CG1 4.19Å; P87-V119 HydrophobicContact CG-CG2 4.35Å
88S85.6Confident89.2Confident6 Ų646.3 Ų46.34%0.04225%0.254CS..  trans-77.1140.7175.4-173.70000110.6E90 T94S88-E90 VanDerWaalsContact C-N 3.28Å; S88-E90 VanDerWaalsContact OG-CB 3.26Å; S88-E90 WeakPolarHBondContact OG-CB 3.34Å; S88-E90 WeakPolarHBondContact OG-CG 3.35Å; S88-E90 PolarHBondContact OG-N 2.89Å; S88-T94 VanDerWaalsContact CB-O 3.24Å; S88-T94 WeakPolarHBondContact CB-O 3.36Å; S88-T94 PolarHBondContact N-O 2.97Å
89D81Confident89Confident172 Ų17246.3 Ų46.392%0.9226%0.255SS*.SBendtrans-82.2-9.6167.4-57.5-34.4000111.7
90E74.3Confident88.2Confident118 Ų11847 Ų4755%0.55126%0.264SS*.SBendtrans-72.8-39.2-179.8-58.1176.916500111.6S88 K106S88-E90 VanDerWaalsContact C-N 3.28Å; S88-E90 VanDerWaalsContact OG-CB 3.26Å; S88-E90 WeakPolarHBondContact OG-CB 3.34Å; S88-E90 WeakPolarHBondContact OG-CG 3.35Å; S88-E90 PolarHBondContact OG-N 2.89Å; E90-K106 IonicContact OE1-NZ 2.66Å; E90-K106 IonicContact OE2-NZ 2.74Å; E90-K106 PolarHBondContact OE2-NZ 3.39Å
91D87.6Confident87.4Confident48 Ų4852.3 Ų52.326%0.25729%0.293SS..  trans-157.3164.5-179.175.368.4000112.6Q93 T94 K108D91-Q93 VanDerWaalsContact C-N 3.26Å; D91-Q93 PolarHBondContact O-N 3.28Å; D91-Q93 WeakPolarHBondContact OD1-CA 3.34Å; D91-Q93 WeakPolarHBondContact OD1-CB 3.44Å; D91-Q93 PolarHBondContact OD1-N 2.96Å; D91-T94 VanDerWaalsContact CG-OG1 3.23Å; D91-T94 WeakPolarHBondContact OD1-CB 3.43Å; D91-T94 PolarHBondContact OD1-N 2.94Å; D91-T94 PolarHBondContact OD1-OG1 3.09Å; D91-T94 VanDerWaalsContact OD1-OG1 3.11Å; D91-T94 WeakPolarHBondContact OD2-CB 3.36Å; D91-T94 PolarHBondContact OD2-OG1 3.21Å; D91-K108 IonicContact OD2-NZ 2.81Å
92S90.5Very high86.4Confident66 Ų6652.9 Ų52.946%0.46231%0.312SS..SBendtrans-76.2-4.9-174.6610000115A112 R115S92-A112 VanDerWaalsContact O-CA 3.24Å; S92-A112 WeakPolarHBondContact O-CA 3.44Å; S92-A112 WeakPolarHBondContact O-CB 3.32Å; S92-R115 WeakPolarHBondContact O-CD 3.25Å; S92-R115 PolarHBondContact O-NE 2.9Å; S92-R115 VanDerWaalsContact O-NE 3.16Å; S92-R115 PolarHBondContact O-NH1 3.36Å
93Q93.2Very high85.9Confident58 Ų5851.4 Ų51.427%0.27131%0.312SS..SBendtrans-114.3-25.7-172.8-60.6178.68.300113.2D91 K108 A109 R115D91-Q93 VanDerWaalsContact C-N 3.26Å; D91-Q93 PolarHBondContact O-N 3.28Å; D91-Q93 WeakPolarHBondContact OD1-CA 3.34Å; D91-Q93 WeakPolarHBondContact OD1-CB 3.44Å; D91-Q93 PolarHBondContact OD1-N 2.96Å; Q93-K108 HydrophobicContact CB-CD 4.36Å; Q93-K108 HydrophobicContact CB-CG 3.75Å; Q93-A109 PolarHBondContact O-N 3.36Å; Q93-A109 PolarHBondContact OE1-O 2.81Å; Q93-R115 WeakPolarHBondContact O-CG 3.49Å
94T91.9Very high85.7Confident0 Ų053.1 Ų53.10%032%0.319CS..EExtended strand (participates in β ladder)trans-84.5145.1-175-61.30000111.7S88 D91 F96 K106 L107 R115S88-T94 VanDerWaalsContact CB-O 3.24Å; S88-T94 WeakPolarHBondContact CB-O 3.36Å; S88-T94 PolarHBondContact N-O 2.97Å; D91-T94 VanDerWaalsContact CG-OG1 3.23Å; D91-T94 WeakPolarHBondContact OD1-CB 3.43Å; D91-T94 PolarHBondContact OD1-N 2.94Å; D91-T94 PolarHBondContact OD1-OG1 3.09Å; D91-T94 VanDerWaalsContact OD1-OG1 3.11Å; D91-T94 WeakPolarHBondContact OD2-CB 3.36Å; D91-T94 PolarHBondContact OD2-OG1 3.21Å; T94-F96 HydrophobicContact CG2-CZ 4.35Å; T94-K106 HydrophobicContact CG2-CD 4.47Å; T94-K106 HydrophobicContact CG2-CG 4.02Å; T94-L107 CarbonylContact C-O 3.47Å; T94-L107 WeakPolarHBondContact CA-O 3.46Å; T94-R115 WeakPolarHBondContact O-CD 3.32Å
95F95Very high85.8Confident0 Ų051.2 Ų51.20%030%0.304CS..EExtended strand (participates in β ladder)trans-152.1161.417363.8-77.9000110.9L36 C86 L107 A109 R115 W118 V119 L122L36-F95 HydrophobicContact CD1-CZ 3.88Å; L36-F95 HydrophobicContact CD2-CE1 4.38Å; L36-F95 HydrophobicContact CD2-CZ 4.41Å; C86-F95 CarbonylContact O-C 3.59Å; C86-F95 WeakPolarHBondContact O-CA 3.49Å; F95-L107 HydrophobicContact CD1-CB 4.24Å; F95-L107 HydrophobicContact CD2-CB 4.35Å; F95-L107 HydrophobicContact CE1-CB 3.8Å; F95-L107 HydrophobicContact CE2-CB 3.9Å; F95-L107 HydrophobicContact CE2-CD1 3.78Å; F95-L107 HydrophobicContact CE2-CG 4.35Å; F95-L107 HydrophobicContact CZ-CB 3.62Å; F95-L107 HydrophobicContact CZ-CD1 3.91Å; F95-L107 HydrophobicContact CZ-CG 4.38Å; F95-L107 PolarHBondContact N-O 3.39Å; F95-L107 PolarHBondContact O-N 3.39Å; F95-L107 VanDerWaalsContact O-O 3.09Å; F95-A109 HydrophobicContact CE1-CB 4.41Å; F95-R115 HydrophobicContact CB-CG 4.32Å; F95-R115 HydrophobicContact CD1-CG 3.78Å; F95-R115 HydrophobicContact CG-CG 4.36Å; F95-W118 HydrophobicContact CE1-CB 4.44Å; F95-W118 HydrophobicContact CE2-CB 4.5Å; F95-W118 HydrophobicContact CZ-CB 3.92Å; F95-W118 HydrophobicContact CZ-CG 4.46Å; F95-V119 HydrophobicContact CB-CG2 3.93Å; F95-V119 HydrophobicContact CD2-CG2 3.97Å; F95-V119 HydrophobicContact CG-CG2 3.92Å; F95-L122 HydrophobicContact CE2-CD1 3.73Å
96F92.8Very high85.6Confident39 Ų3952.3 Ų52.317%0.17131%0.309CS..EExtended strand (participates in β ladder)trans-121.2141.5-175.5-55.9-87000110.4I85 C86 T94 L104 L105 K106I85-F96 WeakPolarHBondContact CA-O 3.49Å; C86-F96 PolarHBondContact N-O 2.73Å; C86-F96 PolarHBondContact O-N 3.03Å; T94-F96 HydrophobicContact CG2-CZ 4.35Å; F96-L104 HydrophobicContact CB-CD1 3.82Å; F96-L104 HydrophobicContact CD1-CD1 3.91Å; F96-L104 HydrophobicContact CG-CD1 4.31Å; F96-L105 CarbonylContact C-O 3.59Å; F96-L105 VanDerWaalsContact CA-O 3.31Å; F96-L105 WeakPolarHBondContact CA-O 3.29Å; F96-K106 HydrophobicContact CD1-CB 3.92Å; F96-K106 HydrophobicContact CD1-CD 4.47Å; F96-K106 HydrophobicContact CD1-CG 3.93Å; F96-K106 HydrophobicContact CE1-CB 3.92Å; F96-K106 HydrophobicContact CE1-CD 3.61Å; F96-K106 HydrophobicContact CE1-CG 3.52Å; F96-K106 HydrophobicContact CZ-CD 4.22Å; F96-K106 HydrophobicContact CZ-CG 4.3Å
97I93.6Very high85.8Confident0 Ų049.8 Ų49.80%029%0.292CS..EExtended strand (participates in β ladder)trans-114.1112.3165.8-50.4173000106.7I60 L78 L80 A83 I85 L104 L105 L107 L122I60-I97 HydrophobicContact CD1-CD1 3.88Å; I60-I97 HydrophobicContact CG2-CD1 4.46Å; L78-I97 HydrophobicContact CD2-CB 4.42Å; L78-I97 HydrophobicContact CD2-CG2 3.8Å; L80-I97 HydrophobicContact CD2-CG2 4.07Å; A83-I97 HydrophobicContact CB-CG2 4.28Å; I85-I97 HydrophobicContact CG1-CG1 4.37Å; I85-I97 HydrophobicContact CG1-CG2 4.38Å; I97-L104 WeakPolarHBondContact O-CA 3.46Å; I97-L105 HydrophobicContact CB-CB 4.23Å; I97-L105 HydrophobicContact CD1-CD1 4.3Å; I97-L105 PolarHBondContact N-O 2.83Å; I97-L105 PolarHBondContact O-N 2.97Å; I97-L107 HydrophobicContact CD1-CD1 3.74Å; I97-L107 HydrophobicContact CG1-CD1 4.38Å; I97-L122 HydrophobicContact CD1-CD1 3.72Å; I97-L122 HydrophobicContact CD1-CD2 4.24Å; I97-L122 HydrophobicContact CG1-CD1 4.23Å
98N87.7Confident86.1Confident59 Ų5950.6 Ų50.632%0.31629%0.291SS..EExtended strand (participates in β ladder)trans-100110.5170.1-46.8-71.4000108.1A83 S84 L104A83-N98 CarbonylContact C-O 3.54Å; A83-N98 VanDerWaalsContact CA-O 3.25Å; A83-N98 WeakPolarHBondContact CA-O 3.48Å; S84-N98 PolarHBondContact N-O 3.33Å; S84-N98 PolarHBondContact O-N 2.77Å; S84-N98 WeakPolarHBondContact OG-CB 3.36Å; S84-N98 PolarHBondContact OG-ND2 2.91Å; N98-L104 WeakPolarHBondContact OD1-CD1 3.29Å
99A85.5Confident86.5Confident9 Ų950.4 Ų50.47%0.07429%0.29CS..  trans-79159.4174.800000112L78 N101 G102 D103L78-A99 HydrophobicContact CD1-CB 3.52Å; L78-A99 HydrophobicContact CD2-CB 3.78Å; L78-A99 HydrophobicContact CG-CB 3.66Å; A99-N101 WeakPolarHBondContact CB-OD1 3.22Å; A99-N101 PolarHBondContact O-N 3.48Å; A99-N101 VanDerWaalsContact O-N 3.16Å; A99-G102 PolarHBondContact O-N 3.23Å; A99-D103 HydrophobicContact CB-CB 4.48Å; A99-D103 PolarHBondContact N-O 3.38Å
100A73.8Confident87.1Confident73 Ų7348.5 Ų48.560%0.60328%0.279SS*.THydrogen-bonded Turntrans-60.6-24.3179.500000114G102A100-G102 PolarHBondContact O-N 3.34Å
101N76.4Confident88Confident113 Ų11346.1 Ų46.160%0.60427%0.27SS*.THydrogen-bonded Turntrans-81.20.3175.970.5-14.6000113.6A99 D103A99-N101 WeakPolarHBondContact CB-OD1 3.22Å; A99-N101 PolarHBondContact O-N 3.48Å; A99-N101 VanDerWaalsContact O-N 3.16Å; N101-D103 PolarHBondContact ND2-OD2 2.83Å; N101-D103 WeakPolarHBondContact OD1-CB 3.33Å; N101-D103 PolarHBondContact OD1-N 2.99Å
102G66.8Low88.2Confident67 Ų6745.9 Ų45.969%0.69128%0.275SS*.SBendtrans89.9-3.5-178.700000115.2A99 A100A99-G102 PolarHBondContact O-N 3.23Å; A100-G102 PolarHBondContact O-N 3.34Å
103D78.2Confident88.3Confident83 Ų8350.9 Ų50.944%0.44429%0.288SS..  trans-68.9135.9174.7-78.1-35.4000111L78 A99 N101L78-D103 HydrophobicContact CD1-CB 3.54Å; A99-D103 HydrophobicContact CB-CB 4.48Å; A99-D103 PolarHBondContact N-O 3.38Å; N101-D103 PolarHBondContact ND2-OD2 2.83Å; N101-D103 WeakPolarHBondContact OD1-CB 3.33Å; N101-D103 PolarHBondContact OD1-N 2.99Å
104L82.3Confident88.4Confident49 Ų4951.5 Ų51.526%0.25729%0.291SS..EExtended strand (participates in β ladder)trans-117.2128.2179171.662.5000111.2F96 I97 N98 I406F96-L104 HydrophobicContact CB-CD1 3.82Å; F96-L104 HydrophobicContact CD1-CD1 3.91Å; F96-L104 HydrophobicContact CG-CD1 4.31Å; I97-L104 WeakPolarHBondContact O-CA 3.46Å; N98-L104 WeakPolarHBondContact OD1-CD1 3.29Å; L104-I406 HydrophobicContact CD2-CG2 4.09Å
105L89.4Confident88.5Confident16 Ų1653.5 Ų53.58%0.08430%0.298CS..EExtended strand (participates in β ladder)trans-109.6113.8167.4-62.9176.8000110.1K38 I60 Y62 L78 F96 I97 L107K38-L105 VanDerWaalsContact CE-CD2 3.5Å; I60-L105 HydrophobicContact CG2-CD1 4.44Å; Y62-L105 HydrophobicContact CE1-CD2 4.49Å; L78-L105 HydrophobicContact CB-CD1 4.33Å; L78-L105 HydrophobicContact CD2-CD1 3.7Å; L78-L105 HydrophobicContact CD2-CG 4.02Å; F96-L105 CarbonylContact C-O 3.59Å; F96-L105 VanDerWaalsContact CA-O 3.31Å; F96-L105 WeakPolarHBondContact CA-O 3.29Å; I97-L105 HydrophobicContact CB-CB 4.23Å; I97-L105 HydrophobicContact CD1-CD1 4.3Å; I97-L105 PolarHBondContact N-O 2.83Å; I97-L105 PolarHBondContact O-N 2.97Å; L105-L107 HydrophobicContact CB-CD2 4.27Å; L105-L107 HydrophobicContact CB-CG 4.21Å
106K91.4Very high88.4Confident33 Ų3356.8 Ų56.814%0.14331%0.314CS..EExtended strand (participates in β ladder)trans-89113.8166.6-175.3174.6-160.3172.40109F39 Y46 E90 T94 F96 I406F39-K106 HydrophobicContact CB-CB 3.91Å; F39-K106 HydrophobicContact CB-CD 4.39Å; F39-K106 HydrophobicContact CB-CG 4.22Å; F39-K106 PolarHBondContact N-O 2.96Å; Y46-K106 HydrophobicContact CE1-CG 4.45Å; Y46-K106 WeakPolarHBondContact OH-CD 3.48Å; Y46-K106 WeakPolarHBondContact OH-CE 3.42Å; E90-K106 IonicContact OE1-NZ 2.66Å; E90-K106 IonicContact OE2-NZ 2.74Å; E90-K106 PolarHBondContact OE2-NZ 3.39Å; T94-K106 HydrophobicContact CG2-CD 4.47Å; T94-K106 HydrophobicContact CG2-CG 4.02Å; F96-K106 HydrophobicContact CD1-CB 3.92Å; F96-K106 HydrophobicContact CD1-CD 4.47Å; F96-K106 HydrophobicContact CD1-CG 3.93Å; F96-K106 HydrophobicContact CE1-CB 3.92Å; F96-K106 HydrophobicContact CE1-CD 3.61Å; F96-K106 HydrophobicContact CE1-CG 3.52Å; F96-K106 HydrophobicContact CZ-CD 4.22Å; F96-K106 HydrophobicContact CZ-CG 4.3Å; K106-I406 HydrophobicContact CD-CD1 4.27Å
107L95.2Very high88.5Confident0 Ų059.1 Ų59.10%032%0.322CS..EExtended strand (participates in β ladder)trans-121.7150.4-174.8-55.9-177.9000110.4L36 L37 K38 F51 T94 F95 I97 L105L36-L107 HydrophobicContact CD1-CD1 4.01Å; L37-L107 CarbonylContact O-C 3.56Å; L37-L107 WeakPolarHBondContact O-CA 3.15Å; K38-L107 HydrophobicContact CB-CD2 3.95Å; K38-L107 HydrophobicContact CG-CD2 3.9Å; F51-L107 HydrophobicContact CE1-CD1 4.02Å; F51-L107 HydrophobicContact CE1-CD2 3.91Å; F51-L107 HydrophobicContact CE2-CD2 3.94Å; F51-L107 HydrophobicContact CZ-CD1 4.14Å; F51-L107 HydrophobicContact CZ-CD2 3.29Å; F51-L107 HydrophobicContact CZ-CG 4.39Å; T94-L107 CarbonylContact C-O 3.47Å; T94-L107 WeakPolarHBondContact CA-O 3.46Å; F95-L107 HydrophobicContact CD1-CB 4.24Å; F95-L107 HydrophobicContact CD2-CB 4.35Å; F95-L107 HydrophobicContact CE1-CB 3.8Å; F95-L107 HydrophobicContact CE2-CB 3.9Å; F95-L107 HydrophobicContact CE2-CD1 3.78Å; F95-L107 HydrophobicContact CE2-CG 4.35Å; F95-L107 HydrophobicContact CZ-CB 3.62Å; F95-L107 HydrophobicContact CZ-CD1 3.91Å; F95-L107 HydrophobicContact CZ-CG 4.38Å; F95-L107 PolarHBondContact N-O 3.39Å; F95-L107 PolarHBondContact O-N 3.39Å; F95-L107 VanDerWaalsContact O-O 3.09Å; I97-L107 HydrophobicContact CD1-CD1 3.74Å; I97-L107 HydrophobicContact CG1-CD1 4.38Å; L105-L107 HydrophobicContact CB-CD2 4.27Å; L105-L107 HydrophobicContact CB-CG 4.21Å
108K95.1Very high88.7Confident53 Ų5359.3 Ų59.323%0.2332%0.323CS..EExtended strand (participates in β ladder)trans-132.2127.2176.1-175.5169.2-179.2159.50109.8L37 Y46 D91 Q93L37-K108 HydrophobicContact CB-CB 4Å; L37-K108 PolarHBondContact N-O 2.93Å; L37-K108 PolarHBondContact O-N 2.81Å; Y46-K108 HydrophobicContact CD1-CB 4.19Å; Y46-K108 HydrophobicContact CE1-CB 3.8Å; D91-K108 IonicContact OD2-NZ 2.81Å; Q93-K108 HydrophobicContact CB-CD 4.36Å; Q93-K108 HydrophobicContact CB-CG 3.75Å
109A95.2Very high89Confident2 Ų256.5 Ų56.52%0.01731%0.308CS..  trans-85.6172.8173.800000110.9L36 Q93 F95 E114 R115L36-A109 HydrophobicContact CD2-CB 4.07Å; Q93-A109 PolarHBondContact O-N 3.36Å; Q93-A109 PolarHBondContact OE1-O 2.81Å; F95-A109 HydrophobicContact CE1-CB 4.41Å; A109-E114 HydrophobicContact CB-CB 3.97Å; A109-R115 HydrophobicContact CB-CB 3.89Å; A109-R115 VanDerWaalsContact CB-N 3.27Å
110I92.7Very high89.4Confident132 Ų13258.9 Ų58.968%0.67732%0.319SS*.SBendtrans-69.6-34.5180-163.9170.5000112.5E114I110-E114 HydrophobicContact CG2-CB 3.79Å; I110-E114 HydrophobicContact CG2-CG 3.56Å
111D93.2Very high90.4Very high69 Ų6956.8 Ų56.837%0.36930%0.296SS..SBendtrans-152.5178.2179.465.536.4000110.7K113 E114 R115D111-K113 VanDerWaalsContact C-N 3.27Å; D111-K113 PolarHBondContact O-N 2.83Å; D111-K113 WeakPolarHBondContact OD1-CA 3.29Å; D111-K113 WeakPolarHBondContact OD1-CB 3.46Å; D111-K113 PolarHBondContact OD1-N 3.49Å; D111-E114 PolarHBondContact OD1-N 2.87Å; D111-R115 WeakPolarHBondContact O-CB 3.28Å; D111-R115 PolarHBondContact O-N 3.15Å
112A91.8Very high91.3Very high43 Ų4351.4 Ų51.436%0.35527%0.267SS..Hα-helixtrans-65.7-29.3-178.800000113.7S92 Q116S92-A112 VanDerWaalsContact O-CA 3.24Å; S92-A112 WeakPolarHBondContact O-CA 3.44Å; S92-A112 WeakPolarHBondContact O-CB 3.32Å; A112-Q116 PolarHBondContact O-N 2.91Å; A112-Q116 VanDerWaalsContact O-N 3.09Å
113K93.1Very high92.7Very high170 Ų17052 Ų5274%0.73925%0.249SC*.Hα-helixtrans-73.4-46.3-179.8-178-176.4176.1-174.70110.2D111 Q116 Y117D111-K113 VanDerWaalsContact C-N 3.27Å; D111-K113 PolarHBondContact O-N 2.83Å; D111-K113 WeakPolarHBondContact OD1-CA 3.29Å; D111-K113 WeakPolarHBondContact OD1-CB 3.46Å; D111-K113 PolarHBondContact OD1-N 3.49Å; K113-Q116 PolarHBondContact O-N 2.88Å; K113-Y117 WeakPolarHBondContact O-CB 3.46Å; K113-Y117 PolarHBondContact O-N 3.38Å
114E94.6Very high93.4Very high72 Ų7248.4 Ų48.434%0.33623%0.23SC..Hα-helixtrans-64.3-39.9173.4-83.3-69134.100111.3A109 I110 D111 Q116 Y117 W118A109-E114 HydrophobicContact CB-CB 3.97Å; I110-E114 HydrophobicContact CG2-CB 3.79Å; I110-E114 HydrophobicContact CG2-CG 3.56Å; D111-E114 PolarHBondContact OD1-N 2.87Å; E114-Q116 VanDerWaalsContact C-N 3.3Å; E114-Q116 PolarHBondContact O-N 2.96Å; E114-Y117 WeakPolarHBondContact O-CB 3.24Å; E114-Y117 PolarHBondContact O-N 3.04Å; E114-W118 PolarHBondContact O-N 2.81Å; E114-W118 PolarHBondContact OE2-NE1 2.87Å
115R95.1Very high93.9Very high41 Ų4146.1 Ų46.116%0.15522%0.218CC..Hα-helixtrans-53.8-50.9172.2-175.9-161.365171.73.7110.7S92 Q93 T94 F95 A109 D111 W118 V119S92-R115 WeakPolarHBondContact O-CD 3.25Å; S92-R115 PolarHBondContact O-NE 2.9Å; S92-R115 VanDerWaalsContact O-NE 3.16Å; S92-R115 PolarHBondContact O-NH1 3.36Å; Q93-R115 WeakPolarHBondContact O-CG 3.49Å; T94-R115 WeakPolarHBondContact O-CD 3.32Å; F95-R115 HydrophobicContact CB-CG 4.32Å; F95-R115 HydrophobicContact CD1-CG 3.78Å; F95-R115 HydrophobicContact CG-CG 4.36Å; A109-R115 HydrophobicContact CB-CB 3.89Å; A109-R115 VanDerWaalsContact CB-N 3.27Å; D111-R115 WeakPolarHBondContact O-CB 3.28Å; D111-R115 PolarHBondContact O-N 3.15Å; R115-W118 PolarHBondContact O-N 3.2Å; R115-V119 HydrophobicContact CG-CG2 4.36Å; R115-V119 WeakPolarHBondContact O-CB 3.38Å; R115-V119 VanDerWaalsContact O-CG2 3.25Å; R115-V119 WeakPolarHBondContact O-CG2 3.46Å; R115-V119 PolarHBondContact O-N 2.63Å
116Q93.5Very high94.1Very high69 Ų6945.6 Ų45.632%0.32222%0.216SC..Hα-helixtrans-63.3-42.9-179.8-164.161.94600111.5A112 K113 E114 W118 V119 D120A112-Q116 PolarHBondContact O-N 2.91Å; A112-Q116 VanDerWaalsContact O-N 3.09Å; K113-Q116 PolarHBondContact O-N 2.88Å; E114-Q116 VanDerWaalsContact C-N 3.3Å; E114-Q116 PolarHBondContact O-N 2.96Å; Q116-W118 VanDerWaalsContact C-N 3.33Å; Q116-W118 PolarHBondContact O-N 3.05Å; Q116-V119 PolarHBondContact O-N 3.28Å; Q116-D120 PolarHBondContact NE2-OD1 3.45Å; Q116-D120 WeakPolarHBondContact O-CB 3.2Å; Q116-D120 PolarHBondContact O-N 3.27Å
117Y94.8Very high94.1Very high88 Ų8848.7 Ų48.735%0.34523%0.231SC..Hα-helixtrans-54.2-44.9175.7173.6-88000113.1T32 K113 E114 R121T32-Y117 HydrophobicContact CG2-CE1 3.77Å; K113-Y117 WeakPolarHBondContact O-CB 3.46Å; K113-Y117 PolarHBondContact O-N 3.38Å; E114-Y117 WeakPolarHBondContact O-CB 3.24Å; E114-Y117 PolarHBondContact O-N 3.04Å; Y117-R121 VanDerWaalsContact CZ-NE 3.3Å; Y117-R121 WeakPolarHBondContact O-CD 3.35Å; Y117-R121 WeakPolarHBondContact O-CG 3.33Å; Y117-R121 PolarHBondContact O-NH1 2.86Å; Y117-R121 PolarHBondContact OH-NE 3.44Å; Y117-R121 PolarHBondContact OH-NH2 2.92Å
118W95.9Very high93.9Very high4 Ų451.9 Ų51.92%0.01524%0.243CC..Hα-helixtrans-70.5-45.5176.5-81.894.6000112.3T32 L36 F51 I53 F95 E114 R115 Q116 D120 R121 L122T32-W118 HydrophobicContact CG2-CH2 4.36Å; T32-W118 HydrophobicContact CG2-CZ3 4.36Å; L36-W118 HydrophobicContact CD1-CD2 3.71Å; L36-W118 HydrophobicContact CD1-CE3 3.79Å; L36-W118 HydrophobicContact CD1-CG 4.23Å; L36-W118 HydrophobicContact CD1-CH2 4.19Å; L36-W118 HydrophobicContact CD1-CZ2 4.12Å; L36-W118 HydrophobicContact CD1-CZ3 4.03Å; L36-W118 HydrophobicContact CD2-CD2 4.15Å; L36-W118 HydrophobicContact CD2-CG 4.09Å; L36-W118 HydrophobicContact CD2-CZ2 4.46Å; L36-W118 HydrophobicContact CG-CD2 4.17Å; L36-W118 HydrophobicContact CG-CH2 4.48Å; L36-W118 HydrophobicContact CG-CZ2 4.01Å; F51-W118 HydrophobicContact CB-CH2 3.82Å; F51-W118 HydrophobicContact CB-CZ3 4.03Å; I53-W118 HydrophobicContact CD1-CE3 3.82Å; I53-W118 HydrophobicContact CD1-CZ3 3.74Å; I53-W118 HydrophobicContact CG1-CE3 4.49Å; I53-W118 HydrophobicContact CG1-CZ3 3.96Å; F95-W118 HydrophobicContact CE1-CB 4.44Å; F95-W118 HydrophobicContact CE2-CB 4.5Å; F95-W118 HydrophobicContact CZ-CB 3.92Å; F95-W118 HydrophobicContact CZ-CG 4.46Å; E114-W118 PolarHBondContact O-N 2.81Å; E114-W118 PolarHBondContact OE2-NE1 2.87Å; R115-W118 PolarHBondContact O-N 3.2Å; Q116-W118 VanDerWaalsContact C-N 3.33Å; Q116-W118 PolarHBondContact O-N 3.05Å; W118-D120 PolarHBondContact O-N 3.48Å; W118-R121 PolarHBondContact O-N 3.09Å; W118-L122 WeakPolarHBondContact O-CB 3.39Å; W118-L122 WeakPolarHBondContact O-CG 3.32Å; W118-L122 PolarHBondContact O-N 2.75Å
119V94.7Very high93.6Very high0 Ų050.5 Ų50.50%024%0.238CC..Hα-helixtrans-59.3-46.7-179.6165.40000111.4I85 P87 F95 R115 Q116 R121 L122 R123I85-V119 HydrophobicContact CG2-CB 4.3Å; I85-V119 HydrophobicContact CG2-CG1 4Å; I85-V119 HydrophobicContact CG2-CG2 4.05Å; P87-V119 HydrophobicContact CG-CG1 4.19Å; P87-V119 HydrophobicContact CG-CG2 4.35Å; F95-V119 HydrophobicContact CB-CG2 3.93Å; F95-V119 HydrophobicContact CD2-CG2 3.97Å; F95-V119 HydrophobicContact CG-CG2 3.92Å; R115-V119 HydrophobicContact CG-CG2 4.36Å; R115-V119 WeakPolarHBondContact O-CB 3.38Å; R115-V119 VanDerWaalsContact O-CG2 3.25Å; R115-V119 WeakPolarHBondContact O-CG2 3.46Å; R115-V119 PolarHBondContact O-N 2.63Å; Q116-V119 PolarHBondContact O-N 3.28Å; V119-R121 VanDerWaalsContact C-N 3.31Å; V119-R121 PolarHBondContact O-N 3Å; V119-L122 PolarHBondContact O-N 3.37Å; V119-R123 HydrophobicContact CG1-CG 4.47Å; V119-R123 WeakPolarHBondContact O-CB 3.35Å; V119-R123 WeakPolarHBondContact O-CG 3.25Å; V119-R123 PolarHBondContact O-N 2.95Å
120D94.1Very high93.3Very high59 Ų5951.1 Ų51.132%0.31624%0.242SC..Hα-helixtrans-61.7-40.3-178-66.9-18.8000111.8L28 Q116 W118 A124L28-D120 HydrophobicContact CD2-CB 4.09Å; Q116-D120 PolarHBondContact NE2-OD1 3.45Å; Q116-D120 WeakPolarHBondContact O-CB 3.2Å; Q116-D120 PolarHBondContact O-N 3.27Å; W118-D120 PolarHBondContact O-N 3.48Å; D120-A124 WeakPolarHBondContact O-CB 3.31Å; D120-A124 PolarHBondContact O-N 3.16Å
121R95.4Very high93Very high29 Ų2949 Ų4911%0.10923%0.229CC..Hα-helixtrans-72.2-43.5179.1-70.8170.3159.963.63112.7L28 T32 I53 Y117 W118 V119 R123 A124 V125L28-R121 HydrophobicContact CD2-CG 4.34Å; L28-R121 WeakPolarHBondContact O-CG 3.49Å; T32-R121 WeakPolarHBondContact OG1-CD 3.38Å; T32-R121 PolarHBondContact OG1-NE 3.49Å; I53-R121 HydrophobicContact CD1-CB 4.37Å; Y117-R121 VanDerWaalsContact CZ-NE 3.3Å; Y117-R121 WeakPolarHBondContact O-CD 3.35Å; Y117-R121 WeakPolarHBondContact O-CG 3.33Å; Y117-R121 PolarHBondContact O-NH1 2.86Å; Y117-R121 PolarHBondContact OH-NE 3.44Å; Y117-R121 PolarHBondContact OH-NH2 2.92Å; W118-R121 PolarHBondContact O-N 3.09Å; V119-R121 VanDerWaalsContact C-N 3.31Å; V119-R121 PolarHBondContact O-N 3Å; R121-R123 VanDerWaalsContact C-N 3.33Å; R121-A124 PolarHBondContact O-N 2.97Å; R121-V125 WeakPolarHBondContact O-CG2 3.41Å; R121-V125 PolarHBondContact O-N 2.84Å
122L95.7Very high92.6Very high0 Ų050.7 Ų50.70%023%0.233CC..Hα-helixtrans-62.8-42.1177.2-72.5165.3000111.3I53 I60 L80 I85 F95 I97 W118 V119 V125 A126I53-L122 HydrophobicContact CD1-CD2 3.43Å; I53-L122 VanDerWaalsContact CD1-CD2 3.43Å; I53-L122 HydrophobicContact CD1-CG 3.68Å; I53-L122 HydrophobicContact CG1-CD2 3.78Å; I60-L122 HydrophobicContact CB-CD2 4.42Å; I60-L122 HydrophobicContact CD1-CD2 3.81Å; I60-L122 HydrophobicContact CG1-CD2 4.45Å; L80-L122 HydrophobicContact CD1-CD2 3.85Å; L80-L122 HydrophobicContact CD2-CD2 4.09Å; I85-L122 HydrophobicContact CD1-CB 4.34Å; I85-L122 HydrophobicContact CG1-CB 3.9Å; I85-L122 HydrophobicContact CG2-CB 4.47Å; F95-L122 HydrophobicContact CE2-CD1 3.73Å; I97-L122 HydrophobicContact CD1-CD1 3.72Å; I97-L122 HydrophobicContact CD1-CD2 4.24Å; I97-L122 HydrophobicContact CG1-CD1 4.23Å; W118-L122 WeakPolarHBondContact O-CB 3.39Å; W118-L122 WeakPolarHBondContact O-CG 3.32Å; W118-L122 PolarHBondContact O-N 2.75Å; V119-L122 PolarHBondContact O-N 3.37Å; L122-V125 PolarHBondContact O-N 2.81Å; L122-A126 VanDerWaalsContact O-CB 3.29Å; L122-A126 WeakPolarHBondContact O-CB 3.44Å; L122-A126 PolarHBondContact O-N 3.34Å
123R94.7Very high91.7Very high81 Ų8150.7 Ų50.731%0.30623%0.233SC..Hα-helixtrans-61.5-48.6173.4-74.3176.9-179166.2-6.9111.8I85 V119 R121 V125 A126 E127I85-R123 HydrophobicContact CB-CG 3.86Å; I85-R123 HydrophobicContact CD1-CG 4.39Å; I85-R123 HydrophobicContact CG1-CG 4.49Å; I85-R123 HydrophobicContact CG2-CG 4.3Å; I85-R123 PolarHBondContact O-NE 2.88Å; I85-R123 VanDerWaalsContact O-NE 3.14Å; I85-R123 PolarHBondContact O-NH2 3.39Å; V119-R123 HydrophobicContact CG1-CG 4.47Å; V119-R123 WeakPolarHBondContact O-CB 3.35Å; V119-R123 WeakPolarHBondContact O-CG 3.25Å; V119-R123 PolarHBondContact O-N 2.95Å; R121-R123 VanDerWaalsContact C-N 3.33Å; R123-V125 VanDerWaalsContact C-N 3.27Å; R123-V125 PolarHBondContact O-N 3.14Å; R123-A126 PolarHBondContact O-N 3.14Å; R123-A126 VanDerWaalsContact O-N 3.15Å; R123-E127 WeakPolarHBondContact O-CB 3.4Å; R123-E127 VanDerWaalsContact O-CG 3.29Å; R123-E127 WeakPolarHBondContact O-CG 3.31Å; R123-E127 PolarHBondContact O-N 2.98Å
124A92.8Very high90.6Very high7 Ų748 Ų486%0.05822%0.223CC..Hα-helixtrans-59.5-36.6179.800000113.3L28 R29 D120 R121 Y128L28-A124 HydrophobicContact CB-CB 3.65Å; L28-A124 HydrophobicContact CD1-CB 4.41Å; R29-A124 HydrophobicContact CG-CB 4.16Å; D120-A124 WeakPolarHBondContact O-CB 3.31Å; D120-A124 PolarHBondContact O-N 3.16Å; R121-A124 PolarHBondContact O-N 2.97Å; A124-Y128 WeakPolarHBondContact O-CB 3.41Å; A124-Y128 PolarHBondContact O-N 2.85Å
125V94.1Very high89.2Confident1 Ų152 Ų521%0.00624%0.242CC..Hα-helixtrans-72.8-45.2174.4175.20000111.2R29 I53 P55 L80 R121 L122 R123 Y128 H129R29-V125 HydrophobicContact CG-CG2 4.33Å; I53-V125 HydrophobicContact CG2-CB 4.46Å; I53-V125 HydrophobicContact CG2-CG1 4.44Å; I53-V125 HydrophobicContact CG2-CG2 3.94Å; P55-V125 HydrophobicContact CB-CG2 3.89Å; L80-V125 HydrophobicContact CB-CG1 4.5Å; L80-V125 HydrophobicContact CD1-CB 4.17Å; L80-V125 HydrophobicContact CD1-CG1 3.76Å; R121-V125 WeakPolarHBondContact O-CG2 3.41Å; R121-V125 PolarHBondContact O-N 2.84Å; L122-V125 PolarHBondContact O-N 2.81Å; R123-V125 VanDerWaalsContact C-N 3.27Å; R123-V125 PolarHBondContact O-N 3.14Å; V125-Y128 PolarHBondContact O-N 2.93Å; V125-H129 PolarHBondContact O-CD2 3.06Å; V125-H129 VanDerWaalsContact O-CD2 3.32Å; V125-H129 PolarHBondContact O-N 3.47Å; V125-H129 VanDerWaalsContact O-N 3.14Å
126A92Very high87Confident4 Ų457.7 Ų57.73%0.03327%0.27CS..Hα-helixtrans-60.5-47.6178.400000112.2L80 I85 L122 R123 S130L80-A126 HydrophobicContact CB-CB 4.24Å; L80-A126 WeakPolarHBondContact O-CA 3.3Å; L80-A126 WeakPolarHBondContact O-CB 3.37Å; I85-A126 HydrophobicContact CD1-CB 3.86Å; L122-A126 VanDerWaalsContact O-CB 3.29Å; L122-A126 WeakPolarHBondContact O-CB 3.44Å; L122-A126 PolarHBondContact O-N 3.34Å; R123-A126 PolarHBondContact O-N 3.14Å; R123-A126 VanDerWaalsContact O-N 3.15Å; A126-S130 VanDerWaalsContact O-CB 3.29Å; A126-S130 WeakPolarHBondContact O-CB 3.37Å; A126-S130 PolarHBondContact O-N 3.21Å; A126-S130 PolarHBondContact O-OG 2.93Å
127E91.4Very high84.5Confident98 Ų9856.5 Ų56.546%0.45827%0.268SS..Hα-helixtrans-59.1-51.5177.7-73.2168.9-167.900111.1R123 H129 S130 E131R123-E127 WeakPolarHBondContact O-CB 3.4Å; R123-E127 VanDerWaalsContact O-CG 3.29Å; R123-E127 WeakPolarHBondContact O-CG 3.31Å; R123-E127 PolarHBondContact O-N 2.98Å; E127-H129 PolarHBondContact O-N 3.45Å; E127-S130 PolarHBondContact O-N 3.32Å; E127-E131 WeakPolarHBondContact O-CB 3.33Å; E127-E131 WeakPolarHBondContact O-CG 3.18Å; E127-E131 PolarHBondContact O-N 3.12Å
128Y91.1Very high81.7Confident67 Ų6759.1 Ų59.126%0.26329%0.287SS..Hα-helixtrans-59.5-43.5-178.5175.8-103.8000113.6A124 V125 K132A124-Y128 WeakPolarHBondContact O-CB 3.41Å; A124-Y128 PolarHBondContact O-N 2.85Å; V125-Y128 PolarHBondContact O-N 2.93Å; Y128-K132 HydrophobicContact CD1-CD 4.41Å; Y128-K132 HydrophobicContact CE1-CD 3.77Å; Y128-K132 HydrophobicContact CE2-CD 4.37Å; Y128-K132 WeakPolarHBondContact O-CB 3.38Å; Y128-K132 PolarHBondContact O-N 3.21Å; Y128-K132 WeakPolarHBondContact OH-CE 3.5Å; Y128-K132 PolarHBondContact OH-NZ 3.36Å
129H90.4Very high78.5Confident25 Ų2563.3 Ų63.312%0.11631%0.309CS..Hα-helixtrans-75.5-29.5179.4-80.5-83.8000112.9P55 D56 G58 I81 V125 E127 A133P55-H129 PolarHBondContact O-NE2 3.38Å; D56-H129 PolarHBondContact O-CE1 2.96Å; D56-H129 VanDerWaalsContact O-CE1 3.23Å; G58-H129 WeakPolarHBondContact CA-CD2 3.42Å; G58-H129 VanDerWaalsContact CA-NE2 3.28Å; G58-H129 WeakPolarHBondContact CA-NE2 3.12Å; G58-H129 PolarHBondContact N-CE1 3.19Å; G58-H129 PolarHBondContact N-NE2 2.99Å; I81-H129 HydrophobicContact CG1-CB 3.99Å; V125-H129 PolarHBondContact O-CD2 3.06Å; V125-H129 VanDerWaalsContact O-CD2 3.32Å; V125-H129 PolarHBondContact O-N 3.47Å; V125-H129 VanDerWaalsContact O-N 3.14Å; E127-H129 PolarHBondContact O-N 3.45Å; H129-A133 VanDerWaalsContact O-CB 3.32Å; H129-A133 WeakPolarHBondContact O-CB 3.48Å; H129-A133 PolarHBondContact O-N 2.63Å
130S88.3Confident75.4Confident15 Ų1569.4 Ų69.411%0.10535%0.347CS..Hα-helixtrans-67.7-48172.6-54.10000110.6Y82 A126 E127 K132 A133 E134Y82-S130 WeakPolarHBondContact CA-OG 3.24Å; Y82-S130 PolarHBondContact N-OG 3.47Å; A126-S130 VanDerWaalsContact O-CB 3.29Å; A126-S130 WeakPolarHBondContact O-CB 3.37Å; A126-S130 PolarHBondContact O-N 3.21Å; A126-S130 PolarHBondContact O-OG 2.93Å; E127-S130 PolarHBondContact O-N 3.32Å; S130-K132 VanDerWaalsContact C-N 3.34Å; S130-K132 PolarHBondContact O-N 3.22Å; S130-A133 WeakPolarHBondContact O-CB 3.48Å; S130-A133 PolarHBondContact O-N 2.77Å; S130-A133 VanDerWaalsContact O-N 3.14Å; S130-E134 WeakPolarHBondContact O-CG 3.31Å; S130-E134 PolarHBondContact O-N 3.11Å
131E86Confident72.4Confident87 Ų8772.3 Ų72.341%0.40737%0.367SS..Hα-helixtrans-59.5-42.3175.9-72.1173.3-178.400111.9E127 E134 Q135E127-E131 WeakPolarHBondContact O-CB 3.33Å; E127-E131 WeakPolarHBondContact O-CG 3.18Å; E127-E131 PolarHBondContact O-N 3.12Å; E131-E134 PolarHBondContact O-N 3.48Å; E131-Q135 WeakPolarHBondContact O-CG 3.01Å; E131-Q135 PolarHBondContact O-N 2.77Å; E131-Q135 VanDerWaalsContact O-N 3.14Å
132K84.3Confident69.1Low105 Ų10578.2 Ų78.246%0.45740%0.4SS..Hα-helixtrans-64.8-38.5175-89.3-169.5163.7-177.50113Y128 S130 E134 Q135 H136Y128-K132 HydrophobicContact CD1-CD 4.41Å; Y128-K132 HydrophobicContact CE1-CD 3.77Å; Y128-K132 HydrophobicContact CE2-CD 4.37Å; Y128-K132 WeakPolarHBondContact O-CB 3.38Å; Y128-K132 PolarHBondContact O-N 3.21Å; Y128-K132 WeakPolarHBondContact OH-CE 3.5Å; Y128-K132 PolarHBondContact OH-NZ 3.36Å; S130-K132 VanDerWaalsContact C-N 3.34Å; S130-K132 PolarHBondContact O-N 3.22Å; K132-E134 VanDerWaalsContact C-N 3.25Å; K132-E134 PolarHBondContact O-N 3.45Å; K132-Q135 PolarHBondContact O-N 3.29Å; K132-H136 PolarHBondContact O-N 2.94Å
133A73.8Confident65.9Low42 Ų4283.4 Ų83.435%0.34744%0.436SS..Hα-helixtrans-65.8-31176.400000111.6I81 Y82 H129 S130I81-A133 HydrophobicContact CG2-CB 4.14Å; Y82-A133 HydrophobicContact CE2-CB 4.41Å; H129-A133 VanDerWaalsContact O-CB 3.32Å; H129-A133 WeakPolarHBondContact O-CB 3.48Å; H129-A133 PolarHBondContact O-N 2.63Å; S130-A133 WeakPolarHBondContact O-CB 3.48Å; S130-A133 PolarHBondContact O-N 2.77Å; S130-A133 VanDerWaalsContact O-N 3.14Å
134E69.5Low62.6Low114 Ų11482.7 Ų82.753%0.53345%0.454SS..Hα-helixtrans-72.5-36.9175-70.9175.2-170.100113.5Y82 S130 E131 K132 H136Y82-E134 HydrophobicContact CE1-CG 4.47Å; S130-E134 WeakPolarHBondContact O-CG 3.31Å; S130-E134 PolarHBondContact O-N 3.11Å; E131-E134 PolarHBondContact O-N 3.48Å; K132-E134 VanDerWaalsContact C-N 3.25Å; K132-E134 PolarHBondContact O-N 3.45Å; E134-H136 PolarHBondContact O-N 2.88Å
135Q65.4Low59.6Low157 Ų15788.5 Ų88.573%0.73449%0.489SS*.Hα-helixtrans-72-13.7179.1-71.7178.516.900113.9E131 K132 P137E131-Q135 WeakPolarHBondContact O-CG 3.01Å; E131-Q135 PolarHBondContact O-N 2.77Å; E131-Q135 VanDerWaalsContact O-N 3.14Å; K132-Q135 PolarHBondContact O-N 3.29Å; Q135-P137 WeakPolarHBondContact O-CD 3.36Å
136H50Low56.5Low159 Ų15993.7 Ų93.774%0.73653%0.525SS*.  trans-110.764.1179.7-136.6-67000111.6K132 E134K132-H136 PolarHBondContact O-N 2.94Å; E134-H136 PolarHBondContact O-N 2.88Å
137P39.2Very low53.6Low44 Ų44102.1 Ų102.129%0.28656%0.564SS.*  trans-75.4137.5166.832-28.5000108.1Q135 I139Q135-P137 WeakPolarHBondContact O-CD 3.36Å; P137-I139 PolarHBondContact O-N 2.86Å
138L36.6Very low50.6Low143 Ų143102.4 Ų102.475%0.74958%0.577SS**SBendtrans-64.633.5169.4-78.5168.7000113.5
139I30.1Very low47.9Very low92 Ų92104.2 Ų104.247%0.47260%0.599SS.*  trans-132.268.3171.9-48.7-178.7000108.6P137P137-I139 PolarHBondContact O-N 2.86Å
140T28.5Very low45.1Very low129 Ų129109.5 Ų109.579%0.79163%0.628SS**SBendtrans-105.78.2144-63.10000110.2
141T30.9Very low42.5Very low120 Ų120117 Ų11774%0.73666%0.661SS**SBendtrans-116.112.9-169.1-22.80000114.9
142L27.2Very low40.1Very low153 Ų153117.6 Ų117.680%0.80168%0.681SS**SBendtrans-136.32.5179.3-76.2168.1000116.3G144L142-G144 VanDerWaalsContact C-N 3.3Å; L142-G144 PolarHBondContact O-N 2.9Å; L142-G144 VanDerWaalsContact O-N 3.15Å
143S27.7Very low37.7Very low108 Ų108120.1 Ų120.176%0.75570%0.699SS**  trans-86.576.9163.1580000109.8T145S143-T145 PolarHBondContact O-N 3.36Å
144G26.5Very low35.7Very low67 Ų67122.7 Ų122.769%0.69172%0.715SS**  trans-67.5112.3157.200000109L142L142-G144 VanDerWaalsContact C-N 3.3Å; L142-G144 PolarHBondContact O-N 2.9Å; L142-G144 VanDerWaalsContact O-N 3.15Å
145T29.6Very low34.1Very low129 Ų129125 Ų12579%0.79173%0.726SS**  -177.5110.8123.924.40000108.4S143S143-T145 PolarHBondContact O-N 3.36Å
146S28.6Very low32.6Very low109 Ų109124.1 Ų124.176%0.76273%0.726SS**  trans42.2109.9132.3-33.50000118.4
147E31.1Very low31.8Very low182 Ų182122.9 Ų122.985%0.8573%0.73SS**  166.494120.7-90175.8-169.300107.9
148S28.5Very low31.4Very low104 Ų104124.2 Ų124.273%0.72775%0.752SS**  93.5127.688.872.50000113.9
149S33.7Very low31.3Very low105 Ų105122.7 Ų122.773%0.73475%0.753SS**  trans118.9128.2158.9700000111.9
150N32.9Very low31.5Very low136 Ų136127 Ų12773%0.72777%0.771SS**  cis-170.4150.92.6-105.7-18.3000108.6
151H32.5Very low31.6Very low172 Ų172126.5 Ų126.580%0.79677%0.767SS**  trans74.3104.8154.6-62.3-55000121.3
152A35.1Very low31.8Very low99 Ų99126.3 Ų126.382%0.81877%0.768SS**  -162.2107.4124.500000111.1
153D34Very low32.1Very low159 Ų159125.7 Ų125.785%0.8577%0.766SS**  trans39.1113.5144.5-69-20.2000123.6
154S33.2Very low32.4Very low96 Ų96126 Ų12667%0.67177%0.768SS**  91.6116115.5-145.90000120.9
155Q36Very low32.8Very low162 Ų162127.5 Ų127.576%0.75777%0.768SS**  trans99109.5141.3-78.2172.234.200121.6
156N32.5Very low32.9Very low138 Ų138130.9 Ų130.974%0.73877%0.772SS**  trans68.5131.7134-71.8-9.1000118.3
157T33.9Very low33Very low133 Ų133131.6 Ų131.682%0.81678%0.776SS**  cis-173.1145.418.128.20000108.9
158G31.6Very low32.9Very low73 Ų73128.1 Ų128.175%0.75377%0.772SS**  trans112.798.813900000119.7
159S34.1Very low33.3Very low110 Ų110132.8 Ų132.877%0.76978%0.782SS**  trans42.4140.5135.3-700000121.1
160Q33.7Very low33Very low183 Ų183132.1 Ų132.186%0.85578%0.778SS**  cis-169.4146.811.4-111170.38.500108
161V30.7Very low32.8Very low118 Ų118132.8 Ų132.872%0.71578%0.782SS**  trans-104.4152173.8173.20000105.9
162P35.8Very low32.8Very low116 Ų116133.7 Ų133.775%0.75379%0.786SS**  -158.5142.786.738.1-14000120.7
163N32.2Very low32.4Very low141 Ų141134.7 Ų134.775%0.75478%0.782SS**  41136.5126.4-68-14.1000123.5
164S35Very low32.3Very low113 Ų113134.6 Ų134.679%0.7978%0.781SS**  135149.3124.765.30000111.2
165S34.3Very low32.1Very low99 Ų99138.5 Ų138.569%0.69279%0.789SS**  cis-178.3144.6-20490000106.4
166K31.4Very low31.9Very low201 Ų201137.4 Ų137.487%0.87479%0.793SS**  trans53.5126.7149.5-64.7176.9177.91800120.7
167S30.9Very low31.6Very low123 Ų123136.1 Ų136.186%0.8680%0.795SS**  176.3137.9111.259.50000113.5
168S30.3Very low31.5Very low109 Ų109137.7 Ų137.776%0.76280%0.798SS**  trans-77.2147.5171.744.50000114.1
169Q35.3Very low31.5Very low202 Ų202143.3 Ų143.394%0.94481%0.805SS**  trans-172.5160.4139.2-107.3169.914.800113.1
170S28.7Very low31.2Very low92 Ų92142.7 Ų142.764%0.64380%0.801SS**  trans-103.1164.3-154.748.80000115.7
171N28.8Very low31.1Very low150 Ų150140 Ų14080%0.80280%0.799SS**  trans73.4121.6153.5-61.3-16.9000118.8
172E31.5Very low30.9Very low191 Ų191142.4 Ų142.489%0.89381%0.808SS**  -170.8138.2107.6-102.4177.3178.700112
173V27.9Very low30.6Very low120 Ų120139.2 Ų139.273%0.72780%0.796SS**  trans-86.1133.1177.61710000108.2
174N31.8Very low30.6Very low156 Ų156140.6 Ų140.683%0.83480%0.803SS**  trans-132.2121.8159.9-93.3-34.5000110.5
175H28.6Very low30.3Very low179 Ų179143.6 Ų143.683%0.82980%0.802SS**  trans-69.3130.3171.2-81.1-82.2000110.6
176T31Very low30.2Very low138 Ų138144.6 Ų144.685%0.84781%0.806SS**  trans-134121.3152.443.90000108.9
177S27.4Very low30.3Very low111 Ų111142.6 Ų142.678%0.77680%0.804SS**  trans-62.2128.6173.248.10000111.5
178D31.8Very low30.4Very low166 Ų166139.7 Ų139.789%0.88879%0.787SS**  trans-138.2132.8156.2-101-27.9000110.9
179Q30.5Very low30.6Very low191 Ų191138.9 Ų138.989%0.89377%0.774SS**  trans-73129.3-169.5-64.8172.4-2.500111
180S27.4Very low30.4Very low98 Ų98134.1 Ų134.169%0.68577%0.77SS**  trans-81131170.253.80000111.1N182S180-N182 PolarHBondContact O-N 2.83Å
181P32.1Very low30.8Very low127 Ų127133.8 Ų133.883%0.82577%0.767SS**  trans-80.8115.9163.929.9-25.2000109.2G183P181-G183 PolarHBondContact O-N 2.78Å
182N27Very low31.4Very low168 Ų168130 Ų13090%0.89875%0.749SS**  trans-66110.2162.8-84.7-23.4000108.6S180S180-N182 PolarHBondContact O-N 2.83Å
183G29.4Very low31.7Very low48 Ų48128 Ų12850%0.49574%0.738SS.*  trans-139.2115.9170.600000109.9P181 F185P181-G183 PolarHBondContact O-N 2.78Å; G183-F185 WeakPolarHBondContact O-CD2 3.39Å; G183-F185 PolarHBondContact O-N 2.89Å
184N31.7Very low32.4Very low170 Ų170124.3 Ų124.391%0.90972%0.717SS**  trans-62.4114.2170.9-80.7-19.5000109P186N184-P186 WeakPolarHBondContact O-CD 3.41Å
185F28.4Very low33.1Very low176 Ų176118.4 Ų118.477%0.77269%0.686SS**PPolyproline II helixtrans-86.4117.5171.6-71.4-83.7000109.4G183 I187G183-F185 WeakPolarHBondContact O-CD2 3.39Å; G183-F185 PolarHBondContact O-N 2.89Å; F185-I187 PolarHBondContact O-N 2.92Å
186P33.1Very low34Very low120 Ų120112.6 Ų112.678%0.77966%0.659SS**PPolyproline II helixtrans-73125.7173.328.4-29.4000109.7N184 A188N184-P186 WeakPolarHBondContact O-CD 3.41Å; P186-A188 PolarHBondContact O-N 3.19Å
187I33.2Very low34.5Very low159 Ų159108.5 Ų108.582%0.81564%0.635SS**PPolyproline II helixtrans-63.3116.8173.9-63167.4000108F185F185-I187 PolarHBondContact O-N 2.92Å
188A32.1Very low35.2Very low63 Ų63104.5 Ų104.552%0.52161%0.607SS.*PPolyproline II helixtrans-69.8128179.300000111.4P186P186-A188 PolarHBondContact O-N 3.19Å
189D34.2Very low35.9Very low91 Ų9198.1 Ų98.149%0.48758%0.58SS.*PPolyproline II helixtrans-67.5146174-164.5-0.1000110.6S191 T192D189-S191 PolarHBondContact O-N 2.92Å; D189-T192 WeakPolarHBondContact O-CB 3.2Å; D189-T192 PolarHBondContact O-N 2.96Å; D189-T192 PolarHBondContact O-OG1 2.89Å
190A33Very low36.6Very low102 Ų10297.2 Ų97.284%0.84357%0.569SS**THydrogen-bonded Turntrans-62.8-3.9-173.700000114.2T192A190-T192 VanDerWaalsContact C-N 3.32Å
191S36.4Very low37.1Very low85 Ų8596 Ų9659%0.59456%0.559SS**THydrogen-bonded Turntrans-80.8-6.4169.557.80000114.1D189 F193D189-S191 PolarHBondContact O-N 2.92Å; S191-F193 VanDerWaalsContact C-N 3.35Å; S191-F193 PolarHBondContact O-N 2.9Å
192T40.3Very low37.9Very low70 Ų7094 Ų9443%0.42955%0.547SS..  trans-83.176-179-44.70000110.5D189 A190D189-T192 WeakPolarHBondContact O-CB 3.2Å; D189-T192 PolarHBondContact O-N 2.96Å; D189-T192 PolarHBondContact O-OG1 2.89Å; A190-T192 VanDerWaalsContact C-N 3.32Å
193F38.9Very low39Very low150 Ų15089 Ų8966%0.65852%0.521SS*.PPolyproline II helixtrans-60.6143.2162.3-106.1-97.8000109S191 V195S191-F193 VanDerWaalsContact C-N 3.35Å; S191-F193 PolarHBondContact O-N 2.9Å; F193-V195 PolarHBondContact O-N 3.06Å; F193-V195 VanDerWaalsContact O-N 3.16Å
194P42.8Very low40.2Very low43 Ų4391.2 Ų91.228%0.27953%0.526SS..PPolyproline II helixtrans-56.1124.7-173.425.8-38.1000110.5F196 L211P194-F196 PolarHBondContact O-N 2.84Å; P194-L211 HydrophobicContact CB-CD1 3.27Å; P194-L211 HydrophobicContact CG-CD1 3.39Å; P194-L211 HydrophobicContact CG-CD2 3.96Å; P194-L211 HydrophobicContact CG-CG 4.32Å
195V46.3Very low41.6Very low32 Ų3288.7 Ų88.719%0.19450%0.504CS..PPolyproline II helixtrans-60.8126.4177.8-1670000106.5F193 C197 W775 N778F193-V195 PolarHBondContact O-N 3.06Å; F193-V195 VanDerWaalsContact O-N 3.16Å; V195-C197 PolarHBondContact O-N 3.27Å; V195-W775 VanDerWaalsContact C-CH2 3.47Å; V195-W775 HydrophobicContact CB-CH2 3.3Å; V195-W775 HydrophobicContact CB-CZ2 4.07Å; V195-W775 HydrophobicContact CB-CZ3 4.09Å; V195-W775 HydrophobicContact CG1-CH2 3.1Å; V195-W775 HydrophobicContact CG1-CZ2 4.21Å; V195-W775 HydrophobicContact CG1-CZ3 3.35Å; V195-W775 VanDerWaalsContact O-CH2 3.29Å; V195-W775 WeakPolarHBondContact O-CH2 3.31Å; V195-N778 WeakPolarHBondContact CG2-O 2.98Å
196F46.3Very low42.9Very low56 Ų5683.5 Ų83.525%0.24649%0.486CS..PPolyproline II helixtrans-75.2116.6-174-72-83.3000111.3P194 P198 P536 V538 C557P194-F196 PolarHBondContact O-N 2.84Å; F196-P198 VanDerWaalsContact O-CD 3.31Å; F196-P198 WeakPolarHBondContact O-CD 3.36Å; F196-P536 HydrophobicContact CD1-CG 3.55Å; F196-P536 HydrophobicContact CE1-CG 3.62Å; F196-P536 HydrophobicContact CG-CG 4.2Å; F196-P536 HydrophobicContact CZ-CG 4.3Å; F196-V538 HydrophobicContact CB-CG2 3.64Å; F196-V538 HydrophobicContact CD2-CG2 4.21Å; F196-V538 HydrophobicContact CG-CG2 4Å; F196-C557 HydrophobicContact CD2-CB 4.1Å; F196-C557 HydrophobicContact CE2-CB 3.95Å
197C41.7Very low44Very low53 Ų5381 Ų8136%0.35847%0.465SS..PPolyproline II helixtrans-77.5122.7172.4-60.90000111.7V195 W775V195-C197 PolarHBondContact O-N 3.27Å; C197-W775 WeakPolarHBondContact SG-CZ2 3.45Å
198P43.8Very low45.6Very low26 Ų2676.5 Ų76.517%0.16944%0.442CS..PPolyproline II helixtrans-99.6154.4168-4.227.2000111.3F196 V532 W780F196-P198 VanDerWaalsContact O-CD 3.31Å; F196-P198 WeakPolarHBondContact O-CD 3.36Å; P198-V532 HydrophobicContact CB-CB 4.36Å; P198-V532 HydrophobicContact CB-CG2 4.48Å; P198-V532 WeakPolarHBondContact CB-O 3.36Å; P198-V532 HydrophobicContact CG-CB 3.77Å; P198-V532 HydrophobicContact CG-CG2 3.52Å; P198-W780 HydrophobicContact CB-CH2 4.3Å; P198-W780 HydrophobicContact CB-CZ2 4.43Å; P198-W780 HydrophobicContact CG-CH2 3.35Å; P198-W780 HydrophobicContact CG-CZ2 3.11Å
199G46.4Very low47.3Very low33 Ų3374.9 Ų74.934%0.3443%0.431SS..SBendtrans93.97.7177.700000115.3A767G199-A767 WeakPolarHBondContact O-CB 3.44Å
200R43.5Very low48.7Very low172 Ų17273.6 Ų73.665%0.64942%0.422SS*.SBendtrans-114.3158.9166-78.5-167.8-177.3-176.64.8110E210R200-E210 IonicContact NH1-OE1 3.8Å; R200-E210 PolarHBondContact NH1-OE1 2.89Å; R200-E210 VanDerWaalsContact NH1-OE1 3.08Å
201P38.7Very low50.4Low73 Ų7371.2 Ų71.247%0.47440%0.395SS..  trans-45.9140.9-158.1-2732.3000113.1D203 V206P201-D203 HydrophobicContact CB-CB 4.43Å; P201-D203 PolarHBondContact O-N 3.32Å; P201-V206 HydrophobicContact CB-CG2 4.48Å; P201-V206 HydrophobicContact CG-CG1 4.47Å
202S48.7Very low52.3Low84 Ų8468.2 Ų68.259%0.58737%0.371SS*.SBendtrans-55.2-2.4174.646.20000114.5P204S202-P204 VanDerWaalsContact O-CD 3.23Å; S202-P204 WeakPolarHBondContact O-CD 3.42Å
203D49.2Very low54Low64 Ų6472.8 Ų72.834%0.34238%0.38SS..  trans-75.2111.8177.6-169.8-14.6000110.8P201 R205 V206 Q207P201-D203 HydrophobicContact CB-CB 4.43Å; P201-D203 PolarHBondContact O-N 3.32Å; D203-R205 PolarHBondContact O-N 3.46Å; D203-R205 WeakPolarHBondContact OD1-CB 3.12Å; D203-R205 VanDerWaalsContact OD1-CG 3.3Å; D203-R205 WeakPolarHBondContact OD1-CG 3.39Å; D203-R205 PolarHBondContact OD1-N 3.02Å; D203-V206 HydrophobicContact CB-CG2 4.03Å; D203-V206 PolarHBondContact O-N 3.44Å; D203-Q207 PolarHBondContact O-N 2.96Å
204P56.7Low55.5Low93 Ų9368.2 Ų68.260%0.60436%0.361SS*.Hα-helixtrans-53-25.8175-24.435.3000113.1S202 Q207 L208S202-P204 VanDerWaalsContact O-CD 3.23Å; S202-P204 WeakPolarHBondContact O-CD 3.42Å; P204-Q207 PolarHBondContact O-N 3.16Å; P204-L208 VanDerWaalsContact O-CB 3.23Å; P204-L208 WeakPolarHBondContact O-CB 3.48Å; P204-L208 PolarHBondContact O-N 3.18Å
205R59.2Low57.3Low118 Ų11869.6 Ų69.645%0.44537%0.366SS..Hα-helixtrans-71.6-34.7-179.1-61.1168.7173.9170.8-9.5112.5D203 G209 D268D203-R205 PolarHBondContact O-N 3.46Å; D203-R205 WeakPolarHBondContact OD1-CB 3.12Å; D203-R205 VanDerWaalsContact OD1-CG 3.3Å; D203-R205 WeakPolarHBondContact OD1-CG 3.39Å; D203-R205 PolarHBondContact OD1-N 3.02Å; R205-G209 PolarHBondContact O-N 2.63Å; R205-D268 IonicContact CZ-OD1 3.54Å; R205-D268 IonicContact CZ-OD2 3.11Å; R205-D268 IonicContact NH1-OD1 3.73Å; R205-D268 IonicContact NH1-OD2 3.8Å; R205-D268 PolarHBondContact NH1-OD2 3.31Å; R205-D268 IonicContact NH2-OD1 3.25Å; R205-D268 PolarHBondContact NH2-OD1 3.48Å; R205-D268 IonicContact NH2-OD2 2.68Å; R205-D268 PolarHBondContact NH2-OD2 3.18Å
206V57.5Low59Low66 Ų6671.1 Ų71.140%0.437%0.371SS..Hα-helixtrans-69.9-42.8175.9178.30000109.8P201 D203 L208 G209 E210P201-V206 HydrophobicContact CB-CG2 4.48Å; P201-V206 HydrophobicContact CG-CG1 4.47Å; D203-V206 HydrophobicContact CB-CG2 4.03Å; D203-V206 PolarHBondContact O-N 3.44Å; V206-L208 VanDerWaalsContact C-N 3.33Å; V206-L208 PolarHBondContact O-N 2.96Å; V206-G209 PolarHBondContact O-N 3.49Å; V206-E210 PolarHBondContact O-N 3.28Å
207Q56.1Low60.5Low69 Ų6974.8 Ų74.832%0.32239%0.387SS..Hα-helixtrans-60.9-44.1174.5-63.4-179.925.500111.3D203 P204 G209 E210 L211D203-Q207 PolarHBondContact O-N 2.96Å; P204-Q207 PolarHBondContact O-N 3.16Å; Q207-G209 VanDerWaalsContact C-N 3.34Å; Q207-G209 PolarHBondContact O-N 3.48Å; Q207-E210 PolarHBondContact O-N 3.01Å; Q207-L211 WeakPolarHBondContact O-CB 3.38Å; Q207-L211 PolarHBondContact O-N 3.22Å
208L66Low62.3Low64 Ų6476.8 Ų76.834%0.33539%0.391SS..Hα-helixtrans-64.4-38.1177.9-170.962.9000112P204 V206 F212 M261 I264P204-L208 VanDerWaalsContact O-CB 3.23Å; P204-L208 WeakPolarHBondContact O-CB 3.48Å; P204-L208 PolarHBondContact O-N 3.18Å; V206-L208 VanDerWaalsContact C-N 3.33Å; V206-L208 PolarHBondContact O-N 2.96Å; L208-F212 VanDerWaalsContact O-CB 3.3Å; L208-F212 WeakPolarHBondContact O-CB 3.39Å; L208-F212 PolarHBondContact O-N 3.43Å; L208-M261 HydrophobicContact CB-CE 4.25Å; L208-M261 HydrophobicContact CB-SD 4.41Å; L208-M261 HydrophobicContact CD1-SD 4.24Å; L208-M261 HydrophobicContact CD2-CE 3.9Å; L208-M261 HydrophobicContact CD2-SD 3.17Å; L208-M261 WeakPolarHBondContact CD2-SD 3.41Å; L208-M261 HydrophobicContact CG-CE 3.74Å; L208-M261 HydrophobicContact CG-SD 3.32Å; L208-M261 WeakPolarHBondContact CG-SD 3.41Å; L208-I264 HydrophobicContact CD2-CD1 4.2Å
209G68.4Low64.3Low28 Ų2876 Ų7629%0.28939%0.385SS..Hα-helixtrans-64.9-39.9174.300000113.9R205 V206 Q207 F212 R213R205-G209 PolarHBondContact O-N 2.63Å; V206-G209 PolarHBondContact O-N 3.49Å; Q207-G209 VanDerWaalsContact C-N 3.34Å; Q207-G209 PolarHBondContact O-N 3.48Å; G209-F212 WeakPolarHBondContact O-CB 3.45Å; G209-F212 PolarHBondContact O-N 3.46Å; G209-R213 PolarHBondContact O-N 3.41Å; G209-R213 VanDerWaalsContact O-N 3.14Å
210E63Low66.2Low64 Ų6480.6 Ų80.630%0.29940%0.398SS..Hα-helixtrans-71.6-41.6177.9-161.480.3147.300111.7R200 V206 Q207 F212 R213 Q214R200-E210 IonicContact NH1-OE1 3.8Å; R200-E210 PolarHBondContact NH1-OE1 2.89Å; R200-E210 VanDerWaalsContact NH1-OE1 3.08Å; V206-E210 PolarHBondContact O-N 3.28Å; Q207-E210 PolarHBondContact O-N 3.01Å; E210-F212 PolarHBondContact O-N 3.39Å; E210-R213 WeakPolarHBondContact O-CB 3.33Å; E210-R213 PolarHBondContact O-N 2.89Å; E210-R213 VanDerWaalsContact O-N 3.17Å; E210-R213 IonicContact OE2-NH1 3.97Å; E210-R213 PolarHBondContact OE2-NH1 2.82Å; E210-Q214 PolarHBondContact O-N 3.19Å; E210-Q214 VanDerWaalsContact O-N 3.07Å
211L68.5Low68Low52 Ų5274 Ų7427%0.27238%0.38SS..Hα-helixtrans-56.7-42.7172.1175.956.1000111.1P194 Q207 R213 Q214 L215P194-L211 HydrophobicContact CB-CD1 3.27Å; P194-L211 HydrophobicContact CG-CD1 3.39Å; P194-L211 HydrophobicContact CG-CD2 3.96Å; P194-L211 HydrophobicContact CG-CG 4.32Å; Q207-L211 WeakPolarHBondContact O-CB 3.38Å; Q207-L211 PolarHBondContact O-N 3.22Å; L211-R213 PolarHBondContact O-N 2.85Å; L211-Q214 PolarHBondContact O-N 3.17Å; L211-L215 HydrophobicContact CD1-CD1 4.18Å; L211-L215 HydrophobicContact CG-CD1 4.02Å; L211-L215 PolarHBondContact O-N 3.41Å
212F77.3Confident70.1Confident22 Ų2273.4 Ų73.410%0.09637%0.373CS..Hα-helixtrans-61.7-42.8178-163.2-87.2000112L208 G209 E210 Q214 L215 E216 L254 L257 K258 M261L208-F212 VanDerWaalsContact O-CB 3.3Å; L208-F212 WeakPolarHBondContact O-CB 3.39Å; L208-F212 PolarHBondContact O-N 3.43Å; G209-F212 WeakPolarHBondContact O-CB 3.45Å; G209-F212 PolarHBondContact O-N 3.46Å; E210-F212 PolarHBondContact O-N 3.39Å; F212-Q214 PolarHBondContact O-N 2.84Å; F212-L215 WeakPolarHBondContact O-CB 3.39Å; F212-L215 PolarHBondContact O-N 3.43Å; F212-E216 HydrophobicContact CD1-CG 4.03Å; F212-E216 HydrophobicContact CE1-CG 3.71Å; F212-E216 WeakPolarHBondContact O-CG 3.13Å; F212-E216 PolarHBondContact O-N 2.99Å; F212-L254 HydrophobicContact CZ-CG 4.37Å; F212-L257 HydrophobicContact CD2-CB 4.36Å; F212-L257 HydrophobicContact CE2-CB 3.63Å; F212-K258 HydrophobicContact CE1-CB 4.27Å; F212-K258 HydrophobicContact CE1-CD 4.13Å; F212-K258 HydrophobicContact CE1-CG 3.65Å; F212-K258 HydrophobicContact CE2-CB 4.19Å; F212-K258 HydrophobicContact CE2-CG 4.43Å; F212-K258 VanDerWaalsContact CE2-N 3.34Å; F212-K258 VanDerWaalsContact CZ-CA 3.42Å; F212-K258 HydrophobicContact CZ-CB 3.48Å; F212-K258 VanDerWaalsContact CZ-CB 3.48Å; F212-K258 HydrophobicContact CZ-CD 4.02Å; F212-K258 HydrophobicContact CZ-CG 3.39Å; F212-M261 HydrophobicContact CD2-CG 3.87Å; F212-M261 HydrophobicContact CE2-CG 4.3Å; F212-M261 HydrophobicContact CG-CG 4.39Å
213R74.3Confident71.8Confident166 Ų16670.5 Ų70.563%0.62635%0.352SS*.Hα-helixtrans-61.3-40174.4-79.4-177.1178.5159.8-5.7113.2G209 E210 L211 E216 F217G209-R213 PolarHBondContact O-N 3.41Å; G209-R213 VanDerWaalsContact O-N 3.14Å; E210-R213 WeakPolarHBondContact O-CB 3.33Å; E210-R213 PolarHBondContact O-N 2.89Å; E210-R213 VanDerWaalsContact O-N 3.17Å; E210-R213 IonicContact OE2-NH1 3.97Å; E210-R213 PolarHBondContact OE2-NH1 2.82Å; L211-R213 PolarHBondContact O-N 2.85Å; R213-E216 PolarHBondContact O-N 3.08Å; R213-F217 PolarHBondContact O-N 2.85Å; R213-F217 VanDerWaalsContact O-N 3.07Å
214Q72.1Confident73.5Confident55 Ų5569.1 Ų69.126%0.25735%0.346SS..Hα-helixtrans-63.5-45.4176.4-73.5176.9-2500111.1E210 L211 F212 E216 F217 E218 N778E210-Q214 PolarHBondContact O-N 3.19Å; E210-Q214 VanDerWaalsContact O-N 3.07Å; L211-Q214 PolarHBondContact O-N 3.17Å; F212-Q214 PolarHBondContact O-N 2.84Å; Q214-E216 VanDerWaalsContact C-N 3.31Å; Q214-E216 PolarHBondContact O-N 2.7Å; Q214-F217 WeakPolarHBondContact O-CB 3.49Å; Q214-F217 PolarHBondContact O-N 2.92Å; Q214-F217 VanDerWaalsContact O-N 3.17Å; Q214-E218 WeakPolarHBondContact O-CG 3.32Å; Q214-E218 PolarHBondContact O-N 2.95Å; Q214-N778 PolarHBondContact NE2-OD1 3.16Å
215L79.3Confident74.8Confident71 Ų7168.7 Ų68.737%0.37234%0.341SS..Hα-helixtrans-57.5-41.5174.3-86.2150.8000112.4L211 F212 N219 L254L211-L215 HydrophobicContact CD1-CD1 4.18Å; L211-L215 HydrophobicContact CG-CD1 4.02Å; L211-L215 PolarHBondContact O-N 3.41Å; F212-L215 WeakPolarHBondContact O-CB 3.39Å; F212-L215 PolarHBondContact O-N 3.43Å; L215-N219 VanDerWaalsContact O-CB 3.25Å; L215-N219 WeakPolarHBondContact O-CB 3.36Å; L215-N219 PolarHBondContact O-N 2.8Å; L215-L254 HydrophobicContact CB-CD1 4.07Å
216E81.9Confident75.9Confident65 Ų6563.2 Ų63.230%0.30432%0.321SS..Hα-helixtrans-61.6-44175.3-70.4-176.9125.500112.3F212 R213 Q214 H220 L254 K258F212-E216 HydrophobicContact CD1-CG 4.03Å; F212-E216 HydrophobicContact CE1-CG 3.71Å; F212-E216 WeakPolarHBondContact O-CG 3.13Å; F212-E216 PolarHBondContact O-N 2.99Å; R213-E216 PolarHBondContact O-N 3.08Å; Q214-E216 VanDerWaalsContact C-N 3.31Å; Q214-E216 PolarHBondContact O-N 2.7Å; E216-H220 WeakPolarHBondContact O-CB 3.47Å; E216-H220 PolarHBondContact O-N 3.38Å; E216-L254 HydrophobicContact CB-CD1 4.44Å; E216-L254 HydrophobicContact CG-CD1 3.98Å; E216-L254 HydrophobicContact CG-CD2 4.14Å; E216-L254 HydrophobicContact CG-CG 4.42Å; E216-K258 WeakPolarHBondContact OE1-CE 3.46Å; E216-K258 IonicContact OE1-NZ 2.77Å; E216-K258 PolarHBondContact OE1-NZ 2.91Å
217F79.3Confident77.1Confident132 Ų13265 Ų6558%0.57933%0.328SS*.Hα-helixtrans-63.1-48.8178.9-178-93.8000111.8R213 Q214 N219 H220 A221R213-F217 PolarHBondContact O-N 2.85Å; R213-F217 VanDerWaalsContact O-N 3.07Å; Q214-F217 WeakPolarHBondContact O-CB 3.49Å; Q214-F217 PolarHBondContact O-N 2.92Å; Q214-F217 VanDerWaalsContact O-N 3.17Å; F217-N219 PolarHBondContact O-N 3.46Å; F217-H220 PolarHBondContact O-N 2.91Å; F217-A221 PolarHBondContact O-N 2.92Å
218E78.7Confident78.4Confident95 Ų9571.5 Ų71.544%0.44435%0.35SS..Hα-helixtrans-62.9-42.5178.5-68.7-63.3161.200111.9Q214 H220 A221 L222Q214-E218 WeakPolarHBondContact O-CG 3.32Å; Q214-E218 PolarHBondContact O-N 2.95Å; E218-H220 VanDerWaalsContact C-N 3.33Å; E218-H220 PolarHBondContact O-N 3.47Å; E218-A221 WeakPolarHBondContact O-CB 3.3Å; E218-A221 PolarHBondContact O-N 3.25Å; E218-L222 PolarHBondContact O-N 3.41Å
219N85.2Confident78.7Confident10 Ų1071.2 Ų71.25%0.05335%0.351CS..Hα-helixtrans-64.6-37.9176.7-177.263.2000111.9L215 F217 S223 S250 Q251 L254L215-N219 VanDerWaalsContact O-CB 3.25Å; L215-N219 WeakPolarHBondContact O-CB 3.36Å; L215-N219 PolarHBondContact O-N 2.8Å; F217-N219 PolarHBondContact O-N 3.46Å; N219-S223 WeakPolarHBondContact O-CB 3.36Å; N219-S223 PolarHBondContact O-N 2.92Å; N219-S250 VanDerWaalsContact OD1-CB 3.25Å; N219-S250 WeakPolarHBondContact OD1-CB 3.46Å; N219-S250 PolarHBondContact OD1-OG 3Å; N219-Q251 PolarHBondContact ND2-OE1 3.39Å; N219-L254 HydrophobicContact CB-CD1 4.1Å
220H86.8Confident78.5Confident130 Ų13078.7 Ų78.760%0.60237%0.372SS*.Hα-helixtrans-65.5-41.5173.2-176.4-76.9000111.8E216 F217 E218 S223 T224E216-H220 WeakPolarHBondContact O-CB 3.47Å; E216-H220 PolarHBondContact O-N 3.38Å; F217-H220 PolarHBondContact O-N 2.91Å; E218-H220 VanDerWaalsContact C-N 3.33Å; E218-H220 PolarHBondContact O-N 3.47Å; H220-S223 PolarHBondContact O-N 3.31Å; H220-T224 PolarHBondContact CE1-OG1 3.26Å; H220-T224 PolarHBondContact ND1-OG1 2.91Å; H220-T224 WeakPolarHBondContact O-CB 3.45Å; H220-T224 PolarHBondContact O-N 3.27Å; H220-T224 PolarHBondContact O-OG1 2.9Å
221A82.3Confident78.4Confident34 Ų3478.2 Ų78.228%0.28137%0.371SS..Hα-helixtrans-60.5-48.3175.400000111.3F217 E218 S223 T224 V225F217-A221 PolarHBondContact O-N 2.92Å; E218-A221 WeakPolarHBondContact O-CB 3.3Å; E218-A221 PolarHBondContact O-N 3.25Å; A221-S223 PolarHBondContact O-N 2.9Å; A221-T224 WeakPolarHBondContact O-CB 3.03Å; A221-T224 PolarHBondContact O-N 3.45Å; A221-V225 WeakPolarHBondContact O-CG2 3.34Å; A221-V225 PolarHBondContact O-N 3.26Å
222L82Confident77.8Confident60 Ų6086.5 Ų86.531%0.31440%0.398SS..Hα-helixtrans-56.5-49.2174.6177.964.5000111.8E218 T224 V225 I226E218-L222 PolarHBondContact O-N 3.41Å; L222-T224 VanDerWaalsContact C-N 3.3Å; L222-T224 PolarHBondContact O-N 3.48Å; L222-V225 PolarHBondContact O-N 3.47Å; L222-I226 HydrophobicContact CD1-CD1 3.79Å; L222-I226 HydrophobicContact CD1-CG1 4.38Å; L222-I226 HydrophobicContact CG-CD1 3.92Å; L222-I226 WeakPolarHBondContact O-CG1 2.8Å; L222-I226 PolarHBondContact O-N 3.39Å
223S84.5Confident76.7Confident22 Ų2286.7 Ų86.715%0.15440%0.402CS..Hα-helixtrans-57.8-44.3177.7-178.70000111.5N219 H220 A221 I226 D227 K247N219-S223 WeakPolarHBondContact O-CB 3.36Å; N219-S223 PolarHBondContact O-N 2.92Å; H220-S223 PolarHBondContact O-N 3.31Å; A221-S223 PolarHBondContact O-N 2.9Å; S223-I226 PolarHBondContact O-N 3.34Å; S223-D227 WeakPolarHBondContact O-CB 3.24Å; S223-D227 VanDerWaalsContact O-CG 3.22Å; S223-D227 PolarHBondContact O-N 3Å; S223-D227 VanDerWaalsContact O-OD2 3.12Å; S223-D227 PolarHBondContact OG-OD2 3.25Å; S223-K247 WeakPolarHBondContact OG-CE 3.4Å; S223-K247 PolarHBondContact OG-NZ 3.46Å
224T85.1Confident75.9Confident36 Ų3684.1 Ų84.122%0.22141%0.407CS..Hα-helixtrans-63.6-41.8179.9-57.30000111.9H220 A221 L222 R228H220-T224 PolarHBondContact CE1-OG1 3.26Å; H220-T224 PolarHBondContact ND1-OG1 2.91Å; H220-T224 WeakPolarHBondContact O-CB 3.45Å; H220-T224 PolarHBondContact O-N 3.27Å; H220-T224 PolarHBondContact O-OG1 2.9Å; A221-T224 WeakPolarHBondContact O-CB 3.03Å; A221-T224 PolarHBondContact O-N 3.45Å; L222-T224 VanDerWaalsContact C-N 3.3Å; L222-T224 PolarHBondContact O-N 3.48Å; T224-R228 WeakPolarHBondContact O-CB 3.36Å; T224-R228 VanDerWaalsContact O-CG 3.25Å; T224-R228 WeakPolarHBondContact O-CG 3.38Å; T224-R228 PolarHBondContact O-N 2.71Å; T224-R228 VanDerWaalsContact O-N 3.1Å
225V82.8Confident75.1Confident83 Ų8389.7 Ų89.750%0.50343%0.433SS..Hα-helixtrans-63-44.9176.8171.50000110.6A221 L222 R228 T229A221-V225 WeakPolarHBondContact O-CG2 3.34Å; A221-V225 PolarHBondContact O-N 3.26Å; L222-V225 PolarHBondContact O-N 3.47Å; V225-R228 PolarHBondContact O-N 2.62Å; V225-T229 PolarHBondContact O-N 3.33Å; V225-T229 PolarHBondContact O-OG1 3Å
226I83.3Confident74.3Confident4 Ų490.3 Ų90.32%0.02144%0.436CS..Hα-helixtrans-66.4-43.3180-67.4169.8000111L222 S223 R228 T229 L243 L244 K247L222-I226 HydrophobicContact CD1-CD1 3.79Å; L222-I226 HydrophobicContact CD1-CG1 4.38Å; L222-I226 HydrophobicContact CG-CD1 3.92Å; L222-I226 WeakPolarHBondContact O-CG1 2.8Å; L222-I226 PolarHBondContact O-N 3.39Å; S223-I226 PolarHBondContact O-N 3.34Å; I226-R228 VanDerWaalsContact C-N 3.26Å; I226-R228 PolarHBondContact O-N 2.95Å; I226-T229 VanDerWaalsContact O-CB 3.3Å; I226-T229 WeakPolarHBondContact O-CB 3.41Å; I226-T229 PolarHBondContact O-N 2.84Å; I226-L243 HydrophobicContact CD1-CB 4.39Å; I226-L243 WeakPolarHBondContact CD1-O 3.25Å; I226-L243 HydrophobicContact CG1-CB 4.42Å; I226-L244 HydrophobicContact CG2-CD2 4.18Å; I226-K247 HydrophobicContact CB-CD 4.37Å; I226-K247 HydrophobicContact CD1-CB 3.74Å; I226-K247 HydrophobicContact CG2-CD 4.12Å
227D82.9Confident73.6Confident103 Ų10389.9 Ų89.955%0.55144%0.438SS*.Hα-helixtrans-65.8-28.5179-69.8-29.3000113.1S223 T229 K247S223-D227 WeakPolarHBondContact O-CB 3.24Å; S223-D227 VanDerWaalsContact O-CG 3.22Å; S223-D227 PolarHBondContact O-N 3Å; S223-D227 VanDerWaalsContact O-OD2 3.12Å; S223-D227 PolarHBondContact OG-OD2 3.25Å; D227-T229 VanDerWaalsContact C-N 3.33Å; D227-K247 IonicContact OD1-NZ 3.69Å; D227-K247 PolarHBondContact OD1-NZ 3.28Å; D227-K247 IonicContact OD2-NZ 3.97Å; D227-K247 PolarHBondContact OD2-NZ 2.78Å
228R81.8Confident73.2Confident205 Ų20588.5 Ų88.577%0.77444%0.437SS*.Hα-helixtrans-81.5-10.3174.6-71176.8-178.1-176.32.5113.5T224 V225 I226 Y230T224-R228 WeakPolarHBondContact O-CB 3.36Å; T224-R228 VanDerWaalsContact O-CG 3.25Å; T224-R228 WeakPolarHBondContact O-CG 3.38Å; T224-R228 PolarHBondContact O-N 2.71Å; T224-R228 VanDerWaalsContact O-N 3.1Å; V225-R228 PolarHBondContact O-N 2.62Å; I226-R228 VanDerWaalsContact C-N 3.26Å; I226-R228 PolarHBondContact O-N 2.95Å; R228-Y230 PolarHBondContact O-N 2.87Å; R228-Y230 VanDerWaalsContact O-N 3.15Å
229T74Confident72.8Confident58 Ų5888.4 Ų88.436%0.35644%0.442SS..  trans-75.9103.6-178.3-57.10000110V225 I226 D227V225-T229 PolarHBondContact O-N 3.33Å; V225-T229 PolarHBondContact O-OG1 3Å; I226-T229 VanDerWaalsContact O-CB 3.3Å; I226-T229 WeakPolarHBondContact O-CB 3.41Å; I226-T229 PolarHBondContact O-N 2.84Å; D227-T229 VanDerWaalsContact C-N 3.33Å
230Y64.3Low72.5Confident185 Ų18589.9 Ų89.973%0.72545%0.448SS*.  trans-88.6117.7179.5-167.1-93000111.3R228 R232R228-Y230 PolarHBondContact O-N 2.87Å; R228-Y230 VanDerWaalsContact O-N 3.15Å; Y230-R232 HydrophobicContact CD1-CG 3.68Å; Y230-R232 HydrophobicContact CE1-CG 3.46Å; Y230-R232 VanDerWaalsContact CE1-CG 3.46Å
231I60.2Low72.1Confident54 Ų5489.2 Ų89.228%0.27744%0.444SS..  trans-90.1118.4177.6-52.7164.6000109.9S233 I236 F240I231-S233 WeakPolarHBondContact CG2-O 3.26Å; I231-I236 HydrophobicContact CG1-CG2 4.42Å; I231-I236 HydrophobicContact CG2-CB 3.98Å; I231-I236 HydrophobicContact CG2-CG2 4.2Å; I231-F240 HydrophobicContact CD1-CB 3.42Å; I231-F240 VanDerWaalsContact CD1-CB 3.42Å; I231-F240 HydrophobicContact CD1-CD1 3.21Å; I231-F240 HydrophobicContact CD1-CD2 3.43Å; I231-F240 VanDerWaalsContact CD1-CD2 3.43Å; I231-F240 HydrophobicContact CD1-CE1 3.64Å; I231-F240 HydrophobicContact CD1-CE2 3.87Å; I231-F240 HydrophobicContact CD1-CG 3.06Å; I231-F240 HydrophobicContact CD1-CZ 3.95Å; I231-F240 HydrophobicContact CG1-CB 4.22Å; I231-F240 HydrophobicContact CG1-CD1 4.39Å; I231-F240 HydrophobicContact CG1-CD2 3.77Å; I231-F240 HydrophobicContact CG1-CE2 4.13Å; I231-F240 HydrophobicContact CG1-CG 3.9Å
232R56.3Low72Confident227 Ų22792.7 Ų92.786%0.85746%0.457SS*.  trans-99.2-9.7172-82.9-179.4180-177.9-0.5114.7Y230Y230-R232 HydrophobicContact CD1-CG 3.68Å; Y230-R232 HydrophobicContact CE1-CG 3.46Å; Y230-R232 VanDerWaalsContact CE1-CG 3.46Å
233S54.4Low71.9Confident26 Ų2692.8 Ų92.818%0.18246%0.458CS..  trans-126135.7-175.81630000112.1I231 E235 I236I231-S233 WeakPolarHBondContact CG2-O 3.26Å; S233-E235 PolarHBondContact O-N 3.41Å; S233-E235 WeakPolarHBondContact OG-CB 3.33Å; S233-E235 PolarHBondContact OG-N 2.99Å; S233-E235 PolarHBondContact OG-OE2 2.77Å; S233-I236 PolarHBondContact O-N 3.07Å
234P56.4Low71.8Confident111 Ų11195.3 Ų95.372%0.72147%0.469SS*.G310 helixtrans-62.3-15.1171.125.4-31.5000113.7I236 T237P234-I236 VanDerWaalsContact C-N 3.32Å; P234-I236 PolarHBondContact O-N 3.24Å; P234-T237 WeakPolarHBondContact O-CB 3.46Å; P234-T237 PolarHBondContact O-N 2.9Å; P234-T237 PolarHBondContact O-OG1 3.03Å
235E55.8Low71.7Confident173 Ų17398.7 Ų98.781%0.80849%0.485SS*.G310 helixtrans-75.8-18.5178.6-61.4134.3175.400113S233 T237S233-E235 PolarHBondContact O-N 3.41Å; S233-E235 WeakPolarHBondContact OG-CB 3.33Å; S233-E235 PolarHBondContact OG-N 2.99Å; S233-E235 PolarHBondContact OG-OE2 2.77Å; E235-T237 VanDerWaalsContact C-N 3.32Å
236I63.3Low71.4Confident83 Ų8397.4 Ų97.443%0.42648%0.48SS..G310 helixtrans-88.3-4.1179.6-63.6170.7000111.7I231 S233 P234 D238 V239 F240I231-I236 HydrophobicContact CG1-CG2 4.42Å; I231-I236 HydrophobicContact CG2-CB 3.98Å; I231-I236 HydrophobicContact CG2-CG2 4.2Å; S233-I236 PolarHBondContact O-N 3.07Å; P234-I236 VanDerWaalsContact C-N 3.32Å; P234-I236 PolarHBondContact O-N 3.24Å; I236-D238 VanDerWaalsContact C-N 3.31Å; I236-D238 PolarHBondContact O-N 2.66Å; I236-V239 PolarHBondContact O-N 2.8Å; I236-F240 PolarHBondContact O-N 3.14Å
237T67Low71.5Confident56 Ų5699.5 Ų99.534%0.34449%0.489SS..Hα-helixtrans-57.4-39-170.3-50.90000113.2P234 E235 F240 K241P234-T237 WeakPolarHBondContact O-CB 3.46Å; P234-T237 PolarHBondContact O-N 2.9Å; P234-T237 PolarHBondContact O-OG1 3.03Å; E235-T237 VanDerWaalsContact C-N 3.32Å; T237-F240 PolarHBondContact O-N 3.42Å; T237-K241 VanDerWaalsContact O-CG 3.31Å; T237-K241 WeakPolarHBondContact O-CG 3.41Å; T237-K241 PolarHBondContact O-N 2.87Å
238D69.4Low71.4Confident104 Ų10497.3 Ų97.356%0.55649%0.486SS*.Hα-helixtrans-76.3-37.4-176.8-69-24.9000113.1I236 F240 K241 N242I236-D238 VanDerWaalsContact C-N 3.31Å; I236-D238 PolarHBondContact O-N 2.66Å; D238-F240 VanDerWaalsContact C-N 3.28Å; D238-F240 PolarHBondContact O-N 3.06Å; D238-K241 PolarHBondContact O-N 2.79Å; D238-K241 IonicContact OD1-NZ 2.73Å; D238-K241 PolarHBondContact OD1-NZ 3.44Å; D238-N242 PolarHBondContact O-N 2.74Å; D238-N242 PolarHBondContact O-ND2 2.93Å
239V72.2Confident71.5Confident92 Ų9290.9 Ų90.956%0.55847%0.469SS*.Hα-helixtrans-62.1-42.2171.3178.30000109.9I236 N242 L243I236-V239 PolarHBondContact O-N 2.8Å; V239-N242 WeakPolarHBondContact O-CB 3.3Å; V239-N242 PolarHBondContact O-N 2.67Å; V239-L243 HydrophobicContact CG1-CD1 4.36Å; V239-L243 WeakPolarHBondContact O-CG 3.29Å; V239-L243 PolarHBondContact O-N 2.6Å
240F78Confident71.9Confident42 Ų4289.9 Ų89.918%0.18447%0.465CS..Hα-helixtrans-68.1-36.9177.7-170.6-105.4000113.3I231 I236 T237 D238 N242 L243 L244I231-F240 HydrophobicContact CD1-CB 3.42Å; I231-F240 VanDerWaalsContact CD1-CB 3.42Å; I231-F240 HydrophobicContact CD1-CD1 3.21Å; I231-F240 HydrophobicContact CD1-CD2 3.43Å; I231-F240 VanDerWaalsContact CD1-CD2 3.43Å; I231-F240 HydrophobicContact CD1-CE1 3.64Å; I231-F240 HydrophobicContact CD1-CE2 3.87Å; I231-F240 HydrophobicContact CD1-CG 3.06Å; I231-F240 HydrophobicContact CD1-CZ 3.95Å; I231-F240 HydrophobicContact CG1-CB 4.22Å; I231-F240 HydrophobicContact CG1-CD1 4.39Å; I231-F240 HydrophobicContact CG1-CD2 3.77Å; I231-F240 HydrophobicContact CG1-CE2 4.13Å; I231-F240 HydrophobicContact CG1-CG 3.9Å; I236-F240 PolarHBondContact O-N 3.14Å; T237-F240 PolarHBondContact O-N 3.42Å; D238-F240 VanDerWaalsContact C-N 3.28Å; D238-F240 PolarHBondContact O-N 3.06Å; F240-N242 VanDerWaalsContact C-N 3.28Å; F240-N242 PolarHBondContact O-N 2.77Å; F240-L243 PolarHBondContact O-N 3.28Å; F240-L244 HydrophobicContact CD1-CD1 3.64Å; F240-L244 HydrophobicContact CD1-CG 3.9Å; F240-L244 HydrophobicContact CE1-CD1 3.42Å; F240-L244 VanDerWaalsContact CE1-CD1 3.42Å; F240-L244 HydrophobicContact CE1-CD2 4.04Å; F240-L244 HydrophobicContact CE1-CG 3.68Å; F240-L244 HydrophobicContact CZ-CD1 4.28Å; F240-L244 HydrophobicContact CZ-CD2 4.07Å; F240-L244 HydrophobicContact CZ-CG 4.12Å; F240-L244 WeakPolarHBondContact O-CB 3.17Å; F240-L244 WeakPolarHBondContact O-CG 3.37Å; F240-L244 PolarHBondContact O-N 3.29Å
241K78.4Confident73Confident116 Ų11684.4 Ų84.450%0.50445%0.445SS..Hα-helixtrans-58.4-42.4169.9-75.8171.6-168.9153.10111.2T237 D238 L244 L245T237-K241 VanDerWaalsContact O-CG 3.31Å; T237-K241 WeakPolarHBondContact O-CG 3.41Å; T237-K241 PolarHBondContact O-N 2.87Å; D238-K241 PolarHBondContact O-N 2.79Å; D238-K241 IonicContact OD1-NZ 2.73Å; D238-K241 PolarHBondContact OD1-NZ 3.44Å; K241-L244 PolarHBondContact O-N 3.05Å; K241-L245 WeakPolarHBondContact O-CB 3.46Å; K241-L245 PolarHBondContact O-N 3.24Å
242N79.3Confident74.1Confident106 Ų10684.6 Ų84.657%0.56746%0.455SS*.Hα-helixtrans-65.3-39.2176.2-69.4-29.8000111.9D238 V239 F240 L245 S246D238-N242 PolarHBondContact O-N 2.74Å; D238-N242 PolarHBondContact O-ND2 2.93Å; V239-N242 WeakPolarHBondContact O-CB 3.3Å; V239-N242 PolarHBondContact O-N 2.67Å; F240-N242 VanDerWaalsContact C-N 3.28Å; F240-N242 PolarHBondContact O-N 2.77Å; N242-L245 PolarHBondContact O-N 3.33Å; N242-S246 WeakPolarHBondContact O-CB 3.39Å; N242-S246 PolarHBondContact O-N 2.81Å
243L81.3Confident75.3Confident63 Ų6377.7 Ų77.733%0.3344%0.438SS..Hα-helixtrans-63.6-46.8173.6-72.8170.1000111.6I226 V239 F240 L245 S246 K247I226-L243 HydrophobicContact CD1-CB 4.39Å; I226-L243 WeakPolarHBondContact CD1-O 3.25Å; I226-L243 HydrophobicContact CG1-CB 4.42Å; V239-L243 HydrophobicContact CG1-CD1 4.36Å; V239-L243 WeakPolarHBondContact O-CG 3.29Å; V239-L243 PolarHBondContact O-N 2.6Å; F240-L243 PolarHBondContact O-N 3.28Å; L243-L245 VanDerWaalsContact C-N 3.31Å; L243-L245 PolarHBondContact O-N 3.37Å; L243-S246 WeakPolarHBondContact O-CB 3.44Å; L243-S246 PolarHBondContact O-N 3.38Å; L243-K247 PolarHBondContact O-N 3.15Å
244L81.5Confident76.8Confident74 Ų7477 Ų7739%0.38743%0.432SS..Hα-helixtrans-61.2-40175.3-73.3178.5000112I226 F240 K241 K247 A248I226-L244 HydrophobicContact CG2-CD2 4.18Å; F240-L244 HydrophobicContact CD1-CD1 3.64Å; F240-L244 HydrophobicContact CD1-CG 3.9Å; F240-L244 HydrophobicContact CE1-CD1 3.42Å; F240-L244 VanDerWaalsContact CE1-CD1 3.42Å; F240-L244 HydrophobicContact CE1-CD2 4.04Å; F240-L244 HydrophobicContact CE1-CG 3.68Å; F240-L244 HydrophobicContact CZ-CD1 4.28Å; F240-L244 HydrophobicContact CZ-CD2 4.07Å; F240-L244 HydrophobicContact CZ-CG 4.12Å; F240-L244 WeakPolarHBondContact O-CB 3.17Å; F240-L244 WeakPolarHBondContact O-CG 3.37Å; F240-L244 PolarHBondContact O-N 3.29Å; K241-L244 PolarHBondContact O-N 3.05Å; L244-K247 PolarHBondContact O-N 3.2Å; L244-A248 WeakPolarHBondContact O-CB 3.25Å; L244-A248 PolarHBondContact O-N 2.97Å
245L82.6Confident78.1Confident107 Ų10774.4 Ų74.456%0.5641%0.413SS*.Hα-helixtrans-62.5-46.1174-176.463.2000110.3K241 N242 L243 K247 A248 T249K241-L245 WeakPolarHBondContact O-CB 3.46Å; K241-L245 PolarHBondContact O-N 3.24Å; N242-L245 PolarHBondContact O-N 3.33Å; L243-L245 VanDerWaalsContact C-N 3.31Å; L243-L245 PolarHBondContact O-N 3.37Å; L245-K247 VanDerWaalsContact C-N 3.33Å; L245-K247 PolarHBondContact O-N 3.1Å; L245-A248 PolarHBondContact O-N 2.91Å; L245-A248 VanDerWaalsContact O-N 3.16Å; L245-T249 HydrophobicContact CD1-CG2 4.15Å; L245-T249 HydrophobicContact CG-CG2 4.32Å; L245-T249 WeakPolarHBondContact O-CG2 3.17Å; L245-T249 PolarHBondContact O-N 3.33Å; L245-T249 PolarHBondContact O-OG1 3.04Å
246S76.6Confident79.4Confident57 Ų5768.8 Ų68.840%0.39939%0.392SS..Hα-helixtrans-59.6-41.6176.4-166.60000112.1N242 L243 T249 S250N242-S246 WeakPolarHBondContact O-CB 3.39Å; N242-S246 PolarHBondContact O-N 2.81Å; L243-S246 WeakPolarHBondContact O-CB 3.44Å; L243-S246 PolarHBondContact O-N 3.38Å; S246-T249 WeakPolarHBondContact CA-OG1 3.44Å; S246-T249 PolarHBondContact O-OG1 3.25Å; S246-T249 VanDerWaalsContact O-OG1 3.08Å; S246-S250 WeakPolarHBondContact O-CB 3.25Å; S246-S250 PolarHBondContact O-N 2.91Å
247K85.6Confident80.2Confident47 Ų4768.2 Ų68.220%0.20439%0.389CS..Hα-helixtrans-60.7-48.9173.4178.6174.4163.6167.60111.1S223 I226 D227 L243 L244 L245 S250 Q251S223-K247 WeakPolarHBondContact OG-CE 3.4Å; S223-K247 PolarHBondContact OG-NZ 3.46Å; I226-K247 HydrophobicContact CB-CD 4.37Å; I226-K247 HydrophobicContact CD1-CB 3.74Å; I226-K247 HydrophobicContact CG2-CD 4.12Å; D227-K247 IonicContact OD1-NZ 3.69Å; D227-K247 PolarHBondContact OD1-NZ 3.28Å; D227-K247 IonicContact OD2-NZ 3.97Å; D227-K247 PolarHBondContact OD2-NZ 2.78Å; L243-K247 PolarHBondContact O-N 3.15Å; L244-K247 PolarHBondContact O-N 3.2Å; L245-K247 VanDerWaalsContact C-N 3.33Å; L245-K247 PolarHBondContact O-N 3.1Å; K247-S250 PolarHBondContact O-N 3.39Å; K247-Q251 WeakPolarHBondContact O-CB 3.42Å; K247-Q251 PolarHBondContact O-N 2.95Å
248A82.1Confident80.9Confident58 Ų5868.7 Ų68.748%0.47939%0.387SS..Hα-helixtrans-64.9-44.1-17900000112.2L244 L245 Q251 A252L244-A248 WeakPolarHBondContact O-CB 3.25Å; L244-A248 PolarHBondContact O-N 2.97Å; L245-A248 PolarHBondContact O-N 2.91Å; L245-A248 VanDerWaalsContact O-N 3.16Å; A248-Q251 PolarHBondContact O-N 2.97Å; A248-A252 VanDerWaalsContact O-CB 3.3Å; A248-A252 WeakPolarHBondContact O-CB 3.3Å; A248-A252 PolarHBondContact O-N 3.44Å
249T83.4Confident81.3Confident70 Ų7069.2 Ų69.243%0.42938%0.381SS..Hα-helixtrans-67.5-39.4177.752.80000111.7L245 S246 A252 T253L245-T249 HydrophobicContact CD1-CG2 4.15Å; L245-T249 HydrophobicContact CG-CG2 4.32Å; L245-T249 WeakPolarHBondContact O-CG2 3.17Å; L245-T249 PolarHBondContact O-N 3.33Å; L245-T249 PolarHBondContact O-OG1 3.04Å; S246-T249 WeakPolarHBondContact CA-OG1 3.44Å; S246-T249 PolarHBondContact O-OG1 3.25Å; S246-T249 VanDerWaalsContact O-OG1 3.08Å; T249-A252 PolarHBondContact O-N 3.34Å; T249-T253 WeakPolarHBondContact O-CB 3.4Å; T249-T253 PolarHBondContact O-N 3.44Å; T249-T253 PolarHBondContact O-OG1 2.65Å
250S83Confident81.5Confident37 Ų3767.6 Ų67.626%0.25937%0.373SS..Hα-helixtrans-63.3-46.6175.9-1730000111.1N219 S246 K247 T253 L254N219-S250 VanDerWaalsContact OD1-CB 3.25Å; N219-S250 WeakPolarHBondContact OD1-CB 3.46Å; N219-S250 PolarHBondContact OD1-OG 3Å; S246-S250 WeakPolarHBondContact O-CB 3.25Å; S246-S250 PolarHBondContact O-N 2.91Å; K247-S250 PolarHBondContact O-N 3.39Å; S250-T253 PolarHBondContact O-N 3.38Å; S250-L254 WeakPolarHBondContact O-CB 3.39Å; S250-L254 PolarHBondContact O-N 3.35Å
251Q87.1Confident81.4Confident69 Ų6966.6 Ų66.632%0.32237%0.369SS..Hα-helixtrans-62.1-46175.7-17460.150.600112.3N219 K247 A248 T253 L254 D255N219-Q251 PolarHBondContact ND2-OE1 3.39Å; K247-Q251 WeakPolarHBondContact O-CB 3.42Å; K247-Q251 PolarHBondContact O-N 2.95Å; A248-Q251 PolarHBondContact O-N 2.97Å; Q251-T253 VanDerWaalsContact C-N 3.31Å; Q251-T253 PolarHBondContact O-N 3.3Å; Q251-L254 WeakPolarHBondContact O-CB 3.49Å; Q251-L254 PolarHBondContact O-N 3.45Å; Q251-D255 PolarHBondContact NE2-OD1 2.68Å; Q251-D255 VanDerWaalsContact O-CG 3.29Å; Q251-D255 PolarHBondContact O-N 2.92Å
252A82.5Confident81.1Confident59 Ų5965.3 Ų65.349%0.48837%0.365SS..Hα-helixtrans-62.3-38.6177.800000112.2A248 T249 D255 C256A248-A252 VanDerWaalsContact O-CB 3.3Å; A248-A252 WeakPolarHBondContact O-CB 3.3Å; A248-A252 PolarHBondContact O-N 3.44Å; T249-A252 PolarHBondContact O-N 3.34Å; A252-D255 PolarHBondContact O-N 3.23Å; A252-C256 WeakPolarHBondContact O-CB 3.32Å; A252-C256 PolarHBondContact O-N 3.42Å
253T82.7Confident80.8Confident81 Ų8164.7 Ų64.750%0.49736%0.361SS..Hα-helixtrans-64.8-45.4175.5-57.70000110.8T249 S250 Q251 D255 C256 L257T249-T253 WeakPolarHBondContact O-CB 3.4Å; T249-T253 PolarHBondContact O-N 3.44Å; T249-T253 PolarHBondContact O-OG1 2.65Å; S250-T253 PolarHBondContact O-N 3.38Å; Q251-T253 VanDerWaalsContact C-N 3.31Å; Q251-T253 PolarHBondContact O-N 3.3Å; T253-D255 PolarHBondContact O-N 3.22Å; T253-C256 WeakPolarHBondContact O-CB 3.46Å; T253-C256 PolarHBondContact O-N 2.78Å; T253-L257 HydrophobicContact CG2-CD1 4.17Å; T253-L257 WeakPolarHBondContact O-CG 3.3Å; T253-L257 PolarHBondContact O-N 3.29Å
254L85.5Confident80.3Confident11 Ų1164.9 Ų64.96%0.05836%0.362CS..Hα-helixtrans-59.5-47176.8-170.7103.8000111F212 L215 E216 N219 S250 Q251 C256 L257 K258F212-L254 HydrophobicContact CZ-CG 4.37Å; L215-L254 HydrophobicContact CB-CD1 4.07Å; E216-L254 HydrophobicContact CB-CD1 4.44Å; E216-L254 HydrophobicContact CG-CD1 3.98Å; E216-L254 HydrophobicContact CG-CD2 4.14Å; E216-L254 HydrophobicContact CG-CG 4.42Å; N219-L254 HydrophobicContact CB-CD1 4.1Å; S250-L254 WeakPolarHBondContact O-CB 3.39Å; S250-L254 PolarHBondContact O-N 3.35Å; Q251-L254 WeakPolarHBondContact O-CB 3.49Å; Q251-L254 PolarHBondContact O-N 3.45Å; L254-C256 VanDerWaalsContact C-N 3.33Å; L254-C256 PolarHBondContact O-N 3.35Å; L254-L257 PolarHBondContact O-N 3.41Å; L254-K258 WeakPolarHBondContact O-CB 3.19Å; L254-K258 PolarHBondContact O-N 3.22Å
255D83.4Confident79.5Confident57 Ų5768.1 Ų68.131%0.30537%0.372SS..Hα-helixtrans-62.9-39.3178-67.8-20.5000111.9Q251 A252 T253 K258 R259Q251-D255 PolarHBondContact NE2-OD1 2.68Å; Q251-D255 VanDerWaalsContact O-CG 3.29Å; Q251-D255 PolarHBondContact O-N 2.92Å; A252-D255 PolarHBondContact O-N 3.23Å; T253-D255 PolarHBondContact O-N 3.22Å; D255-K258 VanDerWaalsContact O-CB 3.31Å; D255-K258 WeakPolarHBondContact O-CB 3.46Å; D255-K258 PolarHBondContact O-N 2.97Å; D255-R259 WeakPolarHBondContact O-CG 3.39Å; D255-R259 PolarHBondContact O-N 3.29Å
256C81.8Confident78.5Confident55 Ų5568.4 Ų68.437%0.37237%0.371SS..Hα-helixtrans-61.3-48.5173.6-174.40000111.6A252 T253 L254 K258 R259 C260A252-C256 WeakPolarHBondContact O-CB 3.32Å; A252-C256 PolarHBondContact O-N 3.42Å; T253-C256 WeakPolarHBondContact O-CB 3.46Å; T253-C256 PolarHBondContact O-N 2.78Å; L254-C256 VanDerWaalsContact C-N 3.33Å; L254-C256 PolarHBondContact O-N 3.35Å; C256-K258 VanDerWaalsContact C-N 3.27Å; C256-K258 PolarHBondContact O-N 3.01Å; C256-R259 PolarHBondContact O-N 3.06Å; C256-C260 PolarHBondContact O-N 2.92Å; C256-C260 PolarHBondContact O-SG 2.86Å; C256-C260 VanDerWaalsContact O-SG 3.34Å
257L82Confident77.5Confident71 Ų7171.8 Ų71.837%0.37238%0.38SS..Hα-helixtrans-62.7-36.7177.5-70.5170.7000111.5F212 T253 L254 C260 M261F212-L257 HydrophobicContact CD2-CB 4.36Å; F212-L257 HydrophobicContact CE2-CB 3.63Å; T253-L257 HydrophobicContact CG2-CD1 4.17Å; T253-L257 WeakPolarHBondContact O-CG 3.3Å; T253-L257 PolarHBondContact O-N 3.29Å; L254-L257 PolarHBondContact O-N 3.41Å; L257-C260 WeakPolarHBondContact O-CB 3.41Å; L257-C260 PolarHBondContact O-N 3.17Å; L257-M261 WeakPolarHBondContact O-CG 2.98Å; L257-M261 PolarHBondContact O-N 2.97Å
258K81.2Confident75.7Confident66 Ų6672.7 Ų72.729%0.28739%0.388SS..Hα-helixtrans-58.9-46.9175.9-140.8164.2-114.8-168.80111F212 E216 L254 D255 C256 M261 E262F212-K258 HydrophobicContact CE1-CB 4.27Å; F212-K258 HydrophobicContact CE1-CD 4.13Å; F212-K258 HydrophobicContact CE1-CG 3.65Å; F212-K258 HydrophobicContact CE2-CB 4.19Å; F212-K258 HydrophobicContact CE2-CG 4.43Å; F212-K258 VanDerWaalsContact CE2-N 3.34Å; F212-K258 VanDerWaalsContact CZ-CA 3.42Å; F212-K258 HydrophobicContact CZ-CB 3.48Å; F212-K258 VanDerWaalsContact CZ-CB 3.48Å; F212-K258 HydrophobicContact CZ-CD 4.02Å; F212-K258 HydrophobicContact CZ-CG 3.39Å; E216-K258 WeakPolarHBondContact OE1-CE 3.46Å; E216-K258 IonicContact OE1-NZ 2.77Å; E216-K258 PolarHBondContact OE1-NZ 2.91Å; L254-K258 WeakPolarHBondContact O-CB 3.19Å; L254-K258 PolarHBondContact O-N 3.22Å; D255-K258 VanDerWaalsContact O-CB 3.31Å; D255-K258 WeakPolarHBondContact O-CB 3.46Å; D255-K258 PolarHBondContact O-N 2.97Å; C256-K258 VanDerWaalsContact C-N 3.27Å; C256-K258 PolarHBondContact O-N 3.01Å; K258-M261 WeakPolarHBondContact O-CB 3.26Å; K258-M261 PolarHBondContact O-N 2.89Å; K258-E262 PolarHBondContact O-N 3.22Å
259R76.5Confident73.7Confident116 Ų11675.2 Ų75.244%0.43839%0.392SS..Hα-helixtrans-64-43174.9-68.4174.4-168.71475.4111.9D255 C256 M261 E262 L263D255-R259 WeakPolarHBondContact O-CG 3.39Å; D255-R259 PolarHBondContact O-N 3.29Å; C256-R259 PolarHBondContact O-N 3.06Å; R259-M261 VanDerWaalsContact C-N 3.26Å; R259-M261 PolarHBondContact O-N 3.49Å; R259-E262 PolarHBondContact O-N 2.98Å; R259-L263 WeakPolarHBondContact O-CG 3.39Å; R259-L263 PolarHBondContact O-N 3.35Å
260C77.5Confident71.3Confident58 Ų5875.8 Ų75.839%0.39240%0.395SS..Hα-helixtrans-58.4-40.6174.5-68.10000111.6C256 L257 L263 I264C256-C260 PolarHBondContact O-N 2.92Å; C256-C260 PolarHBondContact O-SG 2.86Å; C256-C260 VanDerWaalsContact O-SG 3.34Å; L257-C260 WeakPolarHBondContact O-CB 3.41Å; L257-C260 PolarHBondContact O-N 3.17Å; C260-L263 PolarHBondContact O-N 3.41Å; C260-I264 VanDerWaalsContact O-CG1 3.3Å; C260-I264 WeakPolarHBondContact O-CG1 3.5Å; C260-I264 PolarHBondContact O-N 3.07Å
261M74.5Confident69.1Low20 Ų2076.9 Ų76.910%0.09940%0.403CS..Hα-helixtrans-63.2-41.8176.1-77.9-61.1-72.700113.1L208 F212 L257 K258 R259 I264 K265L208-M261 HydrophobicContact CB-CE 4.25Å; L208-M261 HydrophobicContact CB-SD 4.41Å; L208-M261 HydrophobicContact CD1-SD 4.24Å; L208-M261 HydrophobicContact CD2-CE 3.9Å; L208-M261 HydrophobicContact CD2-SD 3.17Å; L208-M261 WeakPolarHBondContact CD2-SD 3.41Å; L208-M261 HydrophobicContact CG-CE 3.74Å; L208-M261 HydrophobicContact CG-SD 3.32Å; L208-M261 WeakPolarHBondContact CG-SD 3.41Å; F212-M261 HydrophobicContact CD2-CG 3.87Å; F212-M261 HydrophobicContact CE2-CG 4.3Å; F212-M261 HydrophobicContact CG-CG 4.39Å; L257-M261 WeakPolarHBondContact O-CG 2.98Å; L257-M261 PolarHBondContact O-N 2.97Å; K258-M261 WeakPolarHBondContact O-CB 3.26Å; K258-M261 PolarHBondContact O-N 2.89Å; R259-M261 VanDerWaalsContact C-N 3.26Å; R259-M261 PolarHBondContact O-N 3.49Å; M261-I264 PolarHBondContact O-N 3.01Å; M261-K265 WeakPolarHBondContact O-CG 3.07Å; M261-K265 PolarHBondContact O-N 3.26Å
262E74.1Confident66.6Low89 Ų8979 Ų7942%0.41642%0.42SS..Hα-helixtrans-63.5-41.8174.9-70.5173.1168.100111.4K258 R259 I264 K265 H266K258-E262 PolarHBondContact O-N 3.22Å; R259-E262 PolarHBondContact O-N 2.98Å; E262-I264 PolarHBondContact O-N 3.07Å; E262-K265 WeakPolarHBondContact O-CB 3.49Å; E262-K265 PolarHBondContact O-N 3.48Å; E262-H266 PolarHBondContact O-CD2 3.14Å; E262-H266 PolarHBondContact O-N 3.17Å
263L73.1Confident64.2Low94 Ų9481 Ų8149%0.49243%0.426SS..Hα-helixtrans-61-43.7175.3-69.3172.2000112.2R259 C260 K265 H266 Q267R259-L263 WeakPolarHBondContact O-CG 3.39Å; R259-L263 PolarHBondContact O-N 3.35Å; C260-L263 PolarHBondContact O-N 3.41Å; L263-K265 VanDerWaalsContact C-N 3.31Å; L263-K265 PolarHBondContact O-N 2.98Å; L263-H266 PolarHBondContact O-N 2.96Å; L263-Q267 PolarHBondContact O-N 3.33Å
264I68.8Low62Low66 Ų6684.7 Ų84.734%0.33844%0.438SS..Hα-helixtrans-62.6-39.6176.5-67.6164.9000110.7L208 C260 M261 E262 H266L208-I264 HydrophobicContact CD2-CD1 4.2Å; C260-I264 VanDerWaalsContact O-CG1 3.3Å; C260-I264 WeakPolarHBondContact O-CG1 3.5Å; C260-I264 PolarHBondContact O-N 3.07Å; M261-I264 PolarHBondContact O-N 3.01Å; E262-I264 PolarHBondContact O-N 3.07Å; I264-H266 VanDerWaalsContact C-N 3.34Å
265K66.5Low59.5Low142 Ų14291.4 Ų91.462%0.61747%0.474SS*.Hα-helixtrans-66.3-34.2175.3-72.4174.3-179178.20112.5M261 E262 L263M261-K265 WeakPolarHBondContact O-CG 3.07Å; M261-K265 PolarHBondContact O-N 3.26Å; E262-K265 WeakPolarHBondContact O-CB 3.49Å; E262-K265 PolarHBondContact O-N 3.48Å; L263-K265 VanDerWaalsContact C-N 3.31Å; L263-K265 PolarHBondContact O-N 2.98Å
266H60.1Low57Low114 Ų11491.6 Ų91.653%0.52849%0.489SS..Hα-helixtrans-81.6-26.4-179.2-78.7-61.4000114.6E262 L263 I264 D268 I269E262-H266 PolarHBondContact O-CD2 3.14Å; E262-H266 PolarHBondContact O-N 3.17Å; L263-H266 PolarHBondContact O-N 2.96Å; I264-H266 VanDerWaalsContact C-N 3.34Å; H266-D268 PolarHBondContact O-N 2.93Å; H266-D268 VanDerWaalsContact O-N 3.14Å; H266-I269 PolarHBondContact O-N 2.91Å
267Q56Low54.5Low127 Ų12797.5 Ų97.559%0.59351%0.509SS*.Hα-helixtrans-61.2-21.5179.1-83.5-177.9-9.400114.2L263 I269 S271L263-Q267 PolarHBondContact O-N 3.33Å; Q267-I269 VanDerWaalsContact C-N 3.29Å; Q267-I269 PolarHBondContact O-N 3.05Å; Q267-S271 WeakPolarHBondContact O-CB 3.48Å; Q267-S271 PolarHBondContact O-N 3.47Å; Q267-S271 PolarHBondContact O-OG 3.28Å
268D47.4Very low51.9Low67 Ų67101 Ų10136%0.35853%0.534SS..Hα-helixtrans-71.8-21.1172.9-78.7-15.4000113.2R205 H266 V272R205-D268 IonicContact CZ-OD1 3.54Å; R205-D268 IonicContact CZ-OD2 3.11Å; R205-D268 IonicContact NH1-OD1 3.73Å; R205-D268 IonicContact NH1-OD2 3.8Å; R205-D268 PolarHBondContact NH1-OD2 3.31Å; R205-D268 IonicContact NH2-OD1 3.25Å; R205-D268 PolarHBondContact NH2-OD1 3.48Å; R205-D268 IonicContact NH2-OD2 2.68Å; R205-D268 PolarHBondContact NH2-OD2 3.18Å; H266-D268 PolarHBondContact O-N 2.93Å; H266-D268 VanDerWaalsContact O-N 3.14Å; D268-V272 VanDerWaalsContact O-CG2 3.24Å; D268-V272 WeakPolarHBondContact O-CG2 3.44Å
269I39.7Very low49.4Very low111 Ų111103 Ų10357%0.56956%0.562SS**Hα-helixtrans-86.5-30.6-178.7-57.9177.4000110.8H266 Q267 V273H266-I269 PolarHBondContact O-N 2.91Å; Q267-I269 VanDerWaalsContact C-N 3.29Å; Q267-I269 PolarHBondContact O-N 3.05Å; I269-V273 WeakPolarHBondContact O-CG2 3.5Å
270T35Very low47.2Very low82 Ų82107.1 Ų107.150%0.50358%0.583SS.*Hα-helixtrans-88.7-35.6-18043.40000113.5V272 V273 E274T270-V272 VanDerWaalsContact C-N 3.34Å; T270-V272 PolarHBondContact O-N 3.45Å; T270-V273 PolarHBondContact O-N 3.49Å; T270-E274 PolarHBondContact O-N 3.05Å; T270-E274 VanDerWaalsContact O-N 3.09Å
271S35.2Very low44.8Very low60 Ų60109 Ų10942%0.4260%0.596SS.*Hα-helixtrans-72.9-24179.6590000114.1Q267Q267-S271 WeakPolarHBondContact O-CB 3.48Å; Q267-S271 PolarHBondContact O-N 3.47Å; Q267-S271 PolarHBondContact O-OG 3.28Å
272V34.7Very low42.6Very low112 Ų112118.8 Ų118.868%0.67963%0.634SS**Hα-helixtrans-82.8-22.6173.9178.50000111.9D268 T270D268-V272 VanDerWaalsContact O-CG2 3.24Å; D268-V272 WeakPolarHBondContact O-CG2 3.44Å; T270-V272 VanDerWaalsContact C-N 3.34Å; T270-V272 PolarHBondContact O-N 3.45Å
273V33.5Very low40.5Very low103 Ų103121.9 Ų121.962%0.62465%0.652SS**Hα-helixtrans-93.2-27.9-177.71750000112.7I269 T270I269-V273 WeakPolarHBondContact O-CG2 3.5Å; T270-V273 PolarHBondContact O-N 3.49Å
274E34.7Very low38.6Very low157 Ų157121.6 Ų121.673%0.73466%0.658SS**Hα-helixtrans-84.1-21.8180-74-175.2155.800114.7T270 G276T270-E274 PolarHBondContact O-N 3.05Å; T270-E274 VanDerWaalsContact O-N 3.09Å; E274-G276 VanDerWaalsContact C-N 3.32Å; E274-G276 PolarHBondContact O-N 3.01Å
275N33.9Very low36.7Very low153 Ų153125.3 Ų125.382%0.81868%0.678SS**THydrogen-bonded Turntrans-87.26.6177.3-79-31.1000114.5
276G30.8Very low35.1Very low61 Ų61124.1 Ų124.163%0.62968%0.683SS**THydrogen-bonded Turntrans-100.11.5-175.300000116.3E274E274-G276 VanDerWaalsContact C-N 3.32Å; E274-G276 PolarHBondContact O-N 3.01Å
277K28.7Very low33.6Very low178 Ų178124.2 Ų124.277%0.77469%0.692SS**SBendtrans-139.5127.4-175.8-68-178.3-178.7172.10112.2
278T27.5Very low32.3Very low146 Ų146125.2 Ų125.290%0.89670%0.701SS**  trans93.394162.567.70000119.1
279A29.9Very low31.5Very low107 Ų107127 Ų12788%0.88472%0.719SS**  -170.4107.8128.100000110.7
280K28.9Very low31.1Very low203 Ų203127.5 Ų127.588%0.88373%0.727SS**  trans-101.8149167.3-85.7-176.6174.8179.10109.5
281S28.4Very low30.8Very low96 Ų96128.2 Ų128.267%0.67174%0.735SS**  trans73.1127.5167.771.90000115.9
282Y28.9Very low30.6Very low227 Ų227133.2 Ų133.289%0.8976%0.757SS**  cis-146.914446.5-87.5-99.3000114.4
283I29.5Very low30.2Very low154 Ų154138.6 Ų138.679%0.7977%0.766SS**  trans-66.9150.3168.1-69.5158.3000109
284S32.3Very low30.2Very low88 Ų88139 Ų13962%0.61577%0.772SS**  -175.9146.251.414.50000112.8
285N29.5Very low29.7Very low144 Ų144136.5 Ų136.577%0.7777%0.77SS**  trans70133.2133.1-59.4-2.8000119.1
286T32Very low29.5Very low116 Ų116135.8 Ų135.871%0.71277%0.771SS**  cis-167.7136.829.215.30000112.5
287T29.3Very low29.2Very low116 Ų116141.2 Ų141.271%0.71278%0.777SS**  trans70.6130.7135.555.10000125.3
288D29.2Very low29.1Very low149 Ų149138.8 Ų138.880%0.79777%0.773SS**  trans83.6124.6154.1-57.3-16.3000118.5
289S30.6Very low29.1Very low104 Ų104138.9 Ų138.973%0.72777%0.774SS**  cis-172151.75.240.10000111.5
290T31.6Very low28.9Very low122 Ų122140 Ų14075%0.74877%0.769SS**  trans80.490.3155.1-15.70000119.3
291S28.6Very low28.9Very low96 Ų96137.2 Ų137.267%0.67177%0.769SS**  73.8127.378.792.20000113.9
292L30.6Very low28.6Very low166 Ų166139.5 Ų139.587%0.86977%0.773SS**  cis-159142.926.9-91.3130.2000113.2
293Y27.1Very low28.4Very low224 Ų224133.2 Ų133.288%0.87876%0.763SS**  trans-94.2-172.2164.1-90.7-81.2000109
294P33.3Very low28.2Very low113 Ų113131 Ų13173%0.73476%0.761SS**  cis-153.3165.126.638.6-13.6000121
295C24.1Very low28Very low104 Ų104136.1 Ų136.170%0.70378%0.775SS**  trans-70.5142.9160.6175.20000111.1
296V28.9Very low27.7Very low137 Ų137134.5 Ų134.583%0.8378%0.775SS**  trans-124.6125.1167.3-1730000108.6
297F25.2Very low27.4Very low175 Ų175137.4 Ų137.477%0.76878%0.781SS**  trans-117.5151.7172.6-123.2-77.2000109.4
298N25.9Very low27.2Very low128 Ų128141 Ų14168%0.68479%0.786SS**  trans82.1115.7160.1-69.2-23.7000120.7
299T28.4Very low27.1Very low148 Ų148141 Ų14191%0.90879%0.785SS**  -154.2133.9120.24.90000112.2
300V24.1Very low26.8Very low129 Ų129143 Ų14378%0.78279%0.787SS**  trans-85.4134.3173.9169.50000109.2
301V29.4Very low26.5Very low146 Ų146144 Ų14489%0.88579%0.788SS**  trans-148.5138146-175.60000109.5
302D22.9Very low26.4Very low143 Ų143147 Ų14777%0.76579%0.793SS**  trans-83.6174.2-170.3-151.6-8.6000113.9
303S24.9Very low26.1Very low96 Ų96147 Ų14767%0.67179%0.794SS**  trans87.5114.1156.170.30000121.4
304S25.1Very low26.1Very low106 Ų106142.1 Ų142.174%0.74178%0.782SS**  trans56.6106.813560.10000120.1
305E27.6Very low25.7Very low196 Ų196141.5 Ų141.592%0.91678%0.78SS**  179.9101.3117.4-99.9178.3175.900110.4
306S23.8Very low25.7Very low110 Ų110143.9 Ų143.977%0.76979%0.786SS**  trans-83.3117159.247.80000108.8
307Q24.9Very low25.5Very low178 Ų178140.7 Ų140.783%0.83278%0.78SS**  trans160.6144139.1-91.2173.2-0.600111.7
308K25Very low25.6Very low192 Ų192140.9 Ų140.984%0.83579%0.788SS**  trans81.8117.3-179-52170.6179.7174.50110.5
309I27Very low25.5Very low149 Ų149139.9 Ų139.976%0.76479%0.792SS**  -157.5116.562.8-76155.4000107.8
310N24.1Very low25.4Very low145 Ų145138.4 Ų138.478%0.77579%0.788SS**  trans-72.7155.9151.1-83.4-20.3000108.2
311D24.7Very low25.6Very low143 Ų143138.6 Ų138.677%0.76579%0.788SS**  trans77.199.2165.7-50-31.8000116.4
312M26.6Very low25.5Very low160 Ų160140.7 Ų140.779%0.78879%0.789SS**  trans-159.9105.7135.9-111.3-176.4-81.900111.5I314M312-I314 HydrophobicContact CB-CG1 4.36Å; M312-I314 PolarHBondContact O-N 2.88Å; M312-I314 HydrophobicContact SD-CD1 4.42Å
313N24.6Very low26.1Very low166 Ų166137.7 Ų137.789%0.88877%0.772SS**  trans-51.4119.9153.6-80.7-36.8000109.3
314I27.3Very low26.7Very low121 Ų121136.1 Ų136.162%0.62176%0.761SS**  trans-138.880.4163.9-53.1-179.3000108.9M312M312-I314 HydrophobicContact CB-CG1 4.36Å; M312-I314 PolarHBondContact O-N 2.88Å; M312-I314 HydrophobicContact SD-CD1 4.42Å
315S24.5Very low27.5Very low99 Ų99137.5 Ų137.569%0.69276%0.756SS**  trans-60.3134.4139.151.10000108.3
316N25.6Very low27.9Very low155 Ų155135.6 Ų135.683%0.82975%0.747SS**SBendtrans8392.5175.5-51.6-23.5000115.9
317G24.1Very low28.7Very low69 Ų69134 Ų13471%0.71173%0.728SS**  trans174.948.7170.900000116.1
318L26.8Very low29.5Very low179 Ų179130.1 Ų130.194%0.93771%0.709SS**  trans-131.567.9169.6-84.5164000110.1
319S24.6Very low30.4Very low108 Ų108124.5 Ų124.576%0.75569%0.694SS**SBendtrans-134.2122.5160.758.50000107.4
320S26.2Very low31.1Very low117 Ų117122.1 Ų122.182%0.81868%0.682SS**  trans87.581.7174.176.60000117.8
321V28.5Very low31.7Very low132 Ų132118.9 Ų118.980%0.866%0.664SS**  trans-113.8109.5147.8178.10000106L323V321-L323 PolarHBondContact O-N 3.25Å
322Q27.4Very low32.5Very low191 Ų191116.6 Ų116.689%0.89366%0.659SS**  trans-76.1113.5177.4-85.4-179.2-35.500109.9
323L35.5Very low32.9Very low80 Ų80114.4 Ų114.442%0.41966%0.655SS.*  trans-71.8141.7168.4-72.4160.5000110.3V321 M327 K328 L331V321-L323 PolarHBondContact O-N 3.25Å; L323-M327 HydrophobicContact CB-CB 4.49Å; L323-M327 HydrophobicContact CD2-CB 4.37Å; L323-M327 HydrophobicContact CD2-CE 4.26Å; L323-M327 HydrophobicContact CD2-SD 3.82Å; L323-K328 HydrophobicContact CB-CG 4.31Å; L323-K328 WeakPolarHBondContact O-CE 3.49Å; L323-L331 HydrophobicContact CD1-CD1 4.07Å
324S36.6Very low33.2Very low63 Ų63111.1 Ų111.144%0.44163%0.633SS.*  trans-63.3153.1174.566.40000111.8E326 M327 K328S324-E326 VanDerWaalsContact C-N 3.26Å; S324-E326 PolarHBondContact O-N 2.89Å; S324-M327 PolarHBondContact O-N 3.44Å; S324-M327 WeakPolarHBondContact OG-CG 3.39Å; S324-M327 PolarHBondContact OG-N 2.94Å; S324-K328 PolarHBondContact O-N 3.25Å; S324-K328 VanDerWaalsContact O-N 3.07Å
325E41.8Very low33.4Very low135 Ų135108.8 Ų108.863%0.63163%0.625SS**Hα-helixtrans-60.3-33-179.3-76.6-59.9134.300113K328 S329E325-K328 PolarHBondContact O-N 2.84Å; E325-K328 IonicContact OE1-NZ 2.71Å; E325-K328 PolarHBondContact OE1-NZ 2.87Å; E325-S329 PolarHBondContact O-N 3.5Å
326E36.9Very low33.7Very low155 Ų155108.8 Ų108.872%0.72462%0.623SS**Hα-helixtrans-62.9-42.2171.1-84.7176.314900112.3S324 K328 S329 I330S324-E326 VanDerWaalsContact C-N 3.26Å; S324-E326 PolarHBondContact O-N 2.89Å; E326-K328 VanDerWaalsContact C-N 3.35Å; E326-K328 PolarHBondContact O-N 2.76Å; E326-S329 PolarHBondContact O-N 3.5Å; E326-I330 WeakPolarHBondContact O-CB 3.23Å; E326-I330 WeakPolarHBondContact O-CD1 3.18Å; E326-I330 WeakPolarHBondContact O-CG1 3.23Å; E326-I330 PolarHBondContact O-N 3.45Å
327M39.5Very low34Very low76 Ų76104.9 Ų104.937%0.37461%0.606SS.*Hα-helixtrans-67.2-35.5176.8-74-173.498.500111.9L323 S324 L331L323-M327 HydrophobicContact CB-CB 4.49Å; L323-M327 HydrophobicContact CD2-CB 4.37Å; L323-M327 HydrophobicContact CD2-CE 4.26Å; L323-M327 HydrophobicContact CD2-SD 3.82Å; S324-M327 PolarHBondContact O-N 3.44Å; S324-M327 WeakPolarHBondContact OG-CG 3.39Å; S324-M327 PolarHBondContact OG-N 2.94Å; M327-L331 VanDerWaalsContact O-CB 3.23Å; M327-L331 WeakPolarHBondContact O-CB 3.46Å; M327-L331 VanDerWaalsContact O-CD1 3.31Å; M327-L331 WeakPolarHBondContact O-CD1 3.47Å; M327-L331 WeakPolarHBondContact O-CG 3.26Å; M327-L331 PolarHBondContact O-N 2.87Å
328K43Very low34.8Very low97 Ų97105.6 Ų105.642%0.42259%0.593SS.*Hα-helixtrans-67.8-40.9175.7-67.5-179.6-166.1162.80112.4L323 S324 E325 E326 L331 S332L323-K328 HydrophobicContact CB-CG 4.31Å; L323-K328 WeakPolarHBondContact O-CE 3.49Å; S324-K328 PolarHBondContact O-N 3.25Å; S324-K328 VanDerWaalsContact O-N 3.07Å; E325-K328 PolarHBondContact O-N 2.84Å; E325-K328 IonicContact OE1-NZ 2.71Å; E325-K328 PolarHBondContact OE1-NZ 2.87Å; E326-K328 VanDerWaalsContact C-N 3.35Å; E326-K328 PolarHBondContact O-N 2.76Å; K328-L331 PolarHBondContact O-N 3.16Å; K328-S332 WeakPolarHBondContact O-CB 3.27Å; K328-S332 PolarHBondContact O-N 3.35Å; K328-S332 PolarHBondContact O-OG 3.4Å
329S42.6Very low35.1Very low74 Ų74104.3 Ų104.352%0.51758%0.58SS.*Hα-helixtrans-65.1-40.2175.9171.50000112.2E325 E326 S332 T333E325-S329 PolarHBondContact O-N 3.5Å; E326-S329 PolarHBondContact O-N 3.5Å; S329-S332 WeakPolarHBondContact CA-OG 3.16Å; S329-S332 PolarHBondContact O-N 3.37Å; S329-S332 PolarHBondContact O-OG 2.66Å; S329-T333 PolarHBondContact O-OG1 3.44Å
330I41.3Very low35.5Very low100 Ų100106.3 Ų106.351%0.51358%0.582SS.*Hα-helixtrans-63.8-51173.5-69.1168.1000109.3E326 S332 T333 F334E326-I330 WeakPolarHBondContact O-CB 3.23Å; E326-I330 WeakPolarHBondContact O-CD1 3.18Å; E326-I330 WeakPolarHBondContact O-CG1 3.23Å; E326-I330 PolarHBondContact O-N 3.45Å; I330-S332 VanDerWaalsContact C-N 3.3Å; I330-S332 PolarHBondContact O-N 2.91Å; I330-T333 PolarHBondContact O-N 3.12Å; I330-T333 VanDerWaalsContact O-N 3.15Å; I330-F334 HydrophobicContact CG2-CD2 4.36Å; I330-F334 HydrophobicContact CG2-CE2 3.71Å; I330-F334 WeakPolarHBondContact O-CD2 3.42Å; I330-F334 WeakPolarHBondContact O-CE2 3.04Å
331L38.1Very low35.9Very low76 Ų76104.2 Ų104.240%0.39856%0.56SS.*Hα-helixtrans-63.2-27.8179.8-72.5166.1000114.1L323 M327 K328 T333 F334L323-L331 HydrophobicContact CD1-CD1 4.07Å; M327-L331 VanDerWaalsContact O-CB 3.23Å; M327-L331 WeakPolarHBondContact O-CB 3.46Å; M327-L331 VanDerWaalsContact O-CD1 3.31Å; M327-L331 WeakPolarHBondContact O-CD1 3.47Å; M327-L331 WeakPolarHBondContact O-CG 3.26Å; M327-L331 PolarHBondContact O-N 2.87Å; K328-L331 PolarHBondContact O-N 3.16Å; L331-T333 VanDerWaalsContact C-N 3.28Å; L331-T333 PolarHBondContact O-N 2.95Å; L331-F334 PolarHBondContact O-N 2.82Å
332S40.2Very low35.8Very low95 Ų95106.4 Ų106.466%0.66456%0.562SS**Hα-helixtrans-75.2-15.417761.60000114.1K328 S329 I330K328-S332 WeakPolarHBondContact O-CB 3.27Å; K328-S332 PolarHBondContact O-N 3.35Å; K328-S332 PolarHBondContact O-OG 3.4Å; S329-S332 WeakPolarHBondContact CA-OG 3.16Å; S329-S332 PolarHBondContact O-N 3.37Å; S329-S332 PolarHBondContact O-OG 2.66Å; I330-S332 VanDerWaalsContact C-N 3.3Å; I330-S332 PolarHBondContact O-N 2.91Å
333T36.1Very low36Very low115 Ų115103.4 Ų103.471%0.70655%0.55SS**Hα-helixtrans-87.8-15.9177.5-35.90000111.7S329 I330 L331S329-T333 PolarHBondContact O-OG1 3.44Å; I330-T333 PolarHBondContact O-N 3.12Å; I330-T333 VanDerWaalsContact O-N 3.15Å; L331-T333 VanDerWaalsContact C-N 3.28Å; L331-T333 PolarHBondContact O-N 2.95Å
334F30Very low35.8Very low97 Ų97105 Ų10543%0.42556%0.559SS.*SBendtrans-93140.4175.7-66.7-77.3000109.8I330 L331 L756I330-F334 HydrophobicContact CG2-CD2 4.36Å; I330-F334 HydrophobicContact CG2-CE2 3.71Å; I330-F334 WeakPolarHBondContact O-CD2 3.42Å; I330-F334 WeakPolarHBondContact O-CE2 3.04Å; L331-F334 PolarHBondContact O-N 2.82Å; F334-L756 HydrophobicContact CD1-CD1 4.11Å; F334-L756 HydrophobicContact CE1-CD1 3.86Å
335P31.6Very low35.5Very low71 Ų71110 Ų11046%0.46157%0.57SS.*PPolyproline II helixtrans-53.6136.6162.323.8-30000107.2R753P335-R753 HydrophobicContact CG-CG 4.29Å
336P31.8Very low35.2Very low100 Ų100114.6 Ų114.665%0.64958%0.581SS**PPolyproline II helixtrans-51.1147.4-178.820.7-31.2000108.9I338P336-I338 PolarHBondContact O-N 2.94Å
337P31.9Very low35.3Very low72 Ų72109.2 Ų109.247%0.46856%0.557SS.*PPolyproline II helixtrans-47.5150.5161.9-1324.5000106.9K339P337-K339 HydrophobicContact CB-CG 4.27Å; P337-K339 HydrophobicContact CG-CG 4.44Å; P337-K339 WeakPolarHBondContact O-CB 3.26Å; P337-K339 PolarHBondContact O-N 2.9Å
338I41.7Very low35.3Very low85 Ų85109.1 Ų109.144%0.43656%0.557SS.*SBendtrans-60.485.4172-56.2174.2000106.8P336 M341P336-I338 PolarHBondContact O-N 2.94Å; I338-M341 HydrophobicContact CB-CE 4.48Å; I338-M341 HydrophobicContact CG2-CE 4.23Å
339K32.3Very low35Very low152 Ų152106.2 Ų106.266%0.66155%0.549SS*.  trans-94.9132.1176.9-81.9-175.7174.2-177.30102.7P337P337-K339 HydrophobicContact CB-CG 4.27Å; P337-K339 HydrophobicContact CG-CG 4.44Å; P337-K339 WeakPolarHBondContact O-CB 3.26Å; P337-K339 PolarHBondContact O-N 2.9Å
340D32.2Very low34.7Very low149 Ų149107.4 Ų107.480%0.79755%0.549SS*.  trans104.958.5-176-47.9-21.4000112.7
341M34.2Very low34.5Very low74 Ų74107.8 Ų107.837%0.36555%0.552SS.*  trans-101.247.3160.6-61.6-179.9-171.200110.4I338 F768 P769 K771I338-M341 HydrophobicContact CB-CE 4.48Å; I338-M341 HydrophobicContact CG2-CE 4.23Å; M341-F768 HydrophobicContact CE-CZ 4.34Å; M341-P769 HydrophobicContact SD-CG 4.45Å; M341-K771 HydrophobicContact SD-CD 4.39Å; M341-K771 WeakPolarHBondContact SD-CE 3.44Å; M341-K771 HydrophobicContact SD-CG 4.5Å
342Q28.1Very low34.6Very low178 Ų178112.7 Ų112.783%0.83257%0.573SS**PPolyproline II helixtrans-82.9127165.3-74.4-173.84.900108N344Q342-N344 PolarHBondContact O-N 3.39Å
343I30.6Very low34.5Very low127 Ų127114.3 Ų114.365%0.65158%0.575SS**PPolyproline II helixtrans-55.1118.4174.9-60.9165.8000108
344N32.2Very low34.7Very low113 Ų113111.8 Ų111.860%0.60456%0.555SS**PPolyproline II helixtrans-99132161.6-101.9-33.1000108.2Q342 R346 D347Q342-N344 PolarHBondContact O-N 3.39Å; N344-R346 PolarHBondContact O-N 2.93Å; N344-D347 WeakPolarHBondContact CA-OD2 3.44Å; N344-D347 PolarHBondContact N-OD2 3Å; N344-D347 VanDerWaalsContact O-CB 3.31Å; N344-D347 WeakPolarHBondContact O-CB 3.46Å; N344-D347 PolarHBondContact O-N 2.85Å
345Y30.2Very low35.2Very low170 Ų170114.1 Ų114.167%0.66757%0.57SS**THydrogen-bonded Turntrans-57.2-7.8-179.9-81.8-90.6000114.8
346R35.2Very low35.2Very low231 Ų231117.3 Ų117.387%0.87258%0.583SS**THydrogen-bonded Turntrans-900.8176.8-64.8-177177.2165.2-2.2114.1N344 I348N344-R346 PolarHBondContact O-N 2.93Å; R346-I348 VanDerWaalsContact C-N 3.3Å; R346-I348 PolarHBondContact O-N 2.91Å
347D38.2Very low35.2Very low42 Ų42119.1 Ų119.123%0.22559%0.587CS.*SBendtrans-83.83.2-168.5-65-34.8000114.7N344 Q720N344-D347 WeakPolarHBondContact CA-OD2 3.44Å; N344-D347 PolarHBondContact N-OD2 3Å; N344-D347 VanDerWaalsContact O-CB 3.31Å; N344-D347 WeakPolarHBondContact O-CB 3.46Å; N344-D347 PolarHBondContact O-N 2.85Å; D347-Q720 PolarHBondContact OD1-NE2 3.18Å
348I39.9Very low35.3Very low73 Ų73121.8 Ų121.837%0.37460%0.598SS.*SBendtrans-119.5131.6170.7-58.4173.6000106.6R346 N350 I785R346-I348 VanDerWaalsContact C-N 3.3Å; R346-I348 PolarHBondContact O-N 2.91Å; I348-N350 PolarHBondContact O-N 3.03Å; I348-I785 HydrophobicContact CD1-CD1 4.05Å
349P37Very low34.6Very low37 Ų37124 Ų12424%0.2462%0.62CS.*  trans-56.5117.4178.1-17.728.7000109.8E354P349-E354 HydrophobicContact CB-CG 4.47Å
350N35.2Very low34.4Very low99 Ų99122.4 Ų122.453%0.52962%0.618SS.*  trans-78.9148.2167.2-83.6-19.2000108.7I348 E352 D353I348-N350 PolarHBondContact O-N 3.03Å; N350-E352 PolarHBondContact O-N 2.9Å; N350-D353 PolarHBondContact O-N 2.94Å; N350-D353 VanDerWaalsContact O-N 3.1Å
351D38.8Very low34.2Very low107 Ų107122 Ų12257%0.57262%0.616SS**THydrogen-bonded Turntrans-60.3-11.9-175.2-64.6-41.5000114R526D351-R526 IonicContact OD1-CZ 3.78Å; D351-R526 IonicContact OD1-NH2 3.95Å; D351-R526 PolarHBondContact OD1-NH2 3.16Å; D351-R526 IonicContact OD2-NH2 2.72Å
352E38.8Very low34Very low179 Ų179125.5 Ų125.584%0.83664%0.636SS**THydrogen-bonded Turntrans-89.5-18.2-179.9-62.6-174.9168.800113.8N350N350-E352 PolarHBondContact O-N 2.9Å
353D38.6Very low34.2Very low130 Ų130123.7 Ų123.770%0.69563%0.632SS**SBendtrans-94.7-6.9-175.1-65.8-40.2000113.8N350N350-D353 PolarHBondContact O-N 2.94Å; N350-D353 VanDerWaalsContact O-N 3.1Å
354E40.5Very low34Very low61 Ų61127.4 Ų127.429%0.28565%0.647SS.*SBendtrans-98.43.8-177.2-73.4-163.9164.800114.3P349 S487P349-E354 HydrophobicContact CB-CG 4.47Å; E354-S487 PolarHBondContact OE1-OG 2.89Å
355I39.5Very low33.8Very low147 Ų147126 Ų12675%0.75465%0.651SS**SBendtrans-102.8-8.7-173-61178.6000113.8
356D32.3Very low33.8Very low137 Ų137127.2 Ų127.273%0.73366%0.66SS**SBendtrans-121.8125.4-176.4-125.3-4.7000113.6
357D33Very low33.4Very low138 Ų138120.3 Ų120.374%0.73865%0.652SS**  trans78.3124.9155.6-67.4-31.5000123.6
358N33.5Very low32.8Very low129 Ų129125.6 Ų125.669%0.6968%0.68SS**  trans87.678.5156.8-71.1-32.7000120.3N360N358-N360 VanDerWaalsContact C-N 3.33Å; N358-N360 PolarHBondContact O-N 3.48Å; N358-N360 VanDerWaalsContact O-N 3.12Å; N358-N360 PolarHBondContact OD1-ND2 3.26Å
359C27.4Very low32.2Very low132 Ų132130.1 Ų130.189%0.89271%0.706SS**  -48.3101.1123.3-85.90000109.3
360N27.5Very low31.8Very low118 Ų118136.5 Ų136.563%0.63174%0.737SS**  trans-150.4113.9157.3-83.6-42.5000109.2N358N358-N360 VanDerWaalsContact C-N 3.33Å; N358-N360 PolarHBondContact O-N 3.48Å; N358-N360 VanDerWaalsContact O-N 3.12Å; N358-N360 PolarHBondContact OD1-ND2 3.26Å
361D26.7Very low31.4Very low139 Ų139134.6 Ų134.674%0.74374%0.741SS**SBendtrans55.9108.7152.4-68.9-23.6000120.7
362D31.2Very low30.9Very low148 Ų148136.3 Ų136.379%0.79175%0.75SS**SBend170.311124.9-85.9-11.6000113.8
363N32.3Very low30.4Very low141 Ų141136.2 Ų136.275%0.75476%0.756SS**  trans-116.613.2-176.9-73-39.4000116.6A365N363-A365 PolarHBondContact O-N 3.3Å
364E26.8Very low30Very low204 Ų204133.4 Ų133.495%0.95375%0.746SS**THydrogen-bonded Turntrans-71.116.7179.2-79.7-154.6155.200115.9
365A28.3Very low29.5Very low83 Ų83133.9 Ų133.969%0.68676%0.756SS**THydrogen-bonded Turntrans-103.5-4.7-179.500000116.2N363N363-A365 PolarHBondContact O-N 3.3Å
366F29.9Very low29.1Very low196 Ų196135.8 Ų135.886%0.8676%0.762SS**SBendtrans-123.14.8-167.2-76.8-78.9000117.5
367A26.4Very low28.9Very low86 Ų86137.3 Ų137.371%0.71176%0.762SS**SBendtrans-125.372.6178.600000111.3
368N26Very low28.7Very low153 Ų153137.5 Ų137.582%0.81876%0.759SS**  trans179.186.4150.8-91.7-27.2000110.6
369N27.5Very low28.6Very low169 Ų169136.1 Ų136.190%0.90475%0.75SS**  trans-153.777.2150.8-104.4-25.3000110.1G371N369-G371 PolarHBondContact O-N 3.06Å
370N27.5Very low28.7Very low170 Ų170136.6 Ų136.691%0.90974%0.741SS**  trans-67.1114.8154.8-86-27.5000108.1
371G27.4Very low28.7Very low59 Ų59136.4 Ų136.461%0.60874%0.74SS**  trans140.2113.3162.900000115.3N369N369-G371 PolarHBondContact O-N 3.06Å
372N27.8Very low28.8Very low143 Ų143134.2 Ų134.277%0.76574%0.736SS**  trans81.7124.2152-58.8-23.5000118.9S374N372-S374 VanDerWaalsContact C-N 3.3Å; N372-S374 PolarHBondContact O-N 2.79Å
373N28.9Very low29Very low177 Ų177133.3 Ų133.395%0.94772%0.722SS**THydrogen-bonded Turntrans-53.582.5167-69.4-36000111.9
374S29Very low28.9Very low72 Ų72131.2 Ų131.250%0.50371%0.711SS.*THydrogen-bonded Turntrans-155.4-1.5166.550.50000114N372 Q376 K377N372-S374 VanDerWaalsContact C-N 3.3Å; N372-S374 PolarHBondContact O-N 2.79Å; S374-Q376 PolarHBondContact O-N 3.32Å; S374-K377 PolarHBondContact O-N 3.08Å
375S30.4Very low29.3Very low70 Ų70129.1 Ų129.149%0.4971%0.706SS.*THydrogen-bonded Turntrans-75.1-14.3-170.335.20000115.5K377 Q378S375-K377 PolarHBondContact O-N 3.41Å; S375-Q378 PolarHBondContact O-N 3.33Å
376Q31.2Very low30.2Very low187 Ų187128.5 Ų128.587%0.87469%0.691SS**THydrogen-bonded Turntrans-66-16.9170.7-86.5-179.7-12.500113.8S374S374-Q376 PolarHBondContact O-N 3.32Å
377K29.3Very low31.2Very low170 Ų170125.3 Ų125.374%0.73968%0.683SS**THydrogen-bonded Turntrans-100.2-16.3175.5-84.9-178173.9179.50114.4S374 S375S374-K377 PolarHBondContact O-N 3.08Å; S375-K377 PolarHBondContact O-N 3.41Å
378Q27.6Very low32.4Very low142 Ų142129.6 Ų129.666%0.66469%0.689SS**THydrogen-bonded Turntrans-92.1-26.1-175.1-84.9177.9-19.800113.9S375 M380 N381S375-Q378 PolarHBondContact O-N 3.33Å; Q378-M380 PolarHBondContact O-N 2.87Å; Q378-N381 PolarHBondContact O-N 3.03Å
379I31.4Very low34Very low99 Ų99125.7 Ų125.751%0.50867%0.668SS.*G310 helixtrans-75.7-20.3172.3-57.7174.2000111.2N381I379-N381 PolarHBondContact O-N 3.4Å
380M29.1Very low36Very low143 Ų143120.5 Ų120.570%0.70464%0.64SS**G310 helixtrans-71.9-10.1174.5-138.9168.315200113.2Q378Q378-M380 PolarHBondContact O-N 2.87Å
381N26.9Very low38.3Very low113 Ų113116.8 Ų116.860%0.60462%0.617SS**G310 helixtrans-102.9-4.2-176.2-77.8-11.7000114.9Q378 I379 N384Q378-N381 PolarHBondContact O-N 3.03Å; I379-N381 PolarHBondContact O-N 3.4Å; N381-N384 PolarHBondContact O-ND2 2.72Å
382S29Very low40.7Very low94 Ų94119.4 Ų119.466%0.65761%0.613SS**SBendtrans-93.89.6173.269.10000113.7
383Y36.3Very low43.2Very low129 Ų129113.5 Ų113.551%0.50658%0.582SS.*SBendtrans-98.821.2175.9-89.7-80.4000113.1I471Y383-I471 HydrophobicContact CE1-CD1 4.12Å; Y383-I471 HydrophobicContact CE2-CD1 3.98Å; Y383-I471 VanDerWaalsContact CZ-CD1 3.44Å; Y383-I471 WeakPolarHBondContact OH-CD1 3.31Å
384N29.6Very low45.6Very low96 Ų96110.4 Ų110.451%0.51356%0.56SS.*  trans-11419-167.7-66.8-40.1000115.5N381N381-N384 PolarHBondContact O-ND2 2.72Å
385D36.8Very low48.2Very low161 Ų161113 Ų11386%0.86156%0.562SS**SBendtrans-118.810-178-80.3-32.3000115.7
386D47.2Very low50.8Low69 Ų69111.9 Ų111.937%0.36955%0.552SS.*  trans-141.444.4179.9-80.3-44.4000113.5E388 N389 D390 K738D386-E388 VanDerWaalsContact C-N 3.25Å; D386-E388 PolarHBondContact O-N 3.17Å; D386-N389 PolarHBondContact O-N 3.05Å; D386-N389 VanDerWaalsContact O-N 3.16Å; D386-D390 PolarHBondContact O-N 3.33Å; D386-K738 IonicContact OD2-NZ 3.88Å; D386-K738 PolarHBondContact OD2-NZ 2.72Å
387D49.4Very low53.2Low129 Ų129104.9 Ų104.969%0.6952%0.52SS*.Hα-helixtrans-50.7-33.2-173.1-91.8-27.5000115.5
388E51.6Low55.7Low177 Ų17799.9 Ų99.983%0.82750%0.501SS*.Hα-helixtrans-74.5-37.6-178.3-72.4-164.916100113.5D386 D390 H392D386-E388 VanDerWaalsContact C-N 3.25Å; D386-E388 PolarHBondContact O-N 3.17Å; E388-D390 VanDerWaalsContact C-N 3.31Å; E388-D390 PolarHBondContact O-N 2.98Å; E388-H392 PolarHBondContact O-N 3.47Å
389N60.3Low58.5Low71 Ų7198.7 Ų98.738%0.3850%0.495SS..Hα-helixtrans-68-36.1179.8-85.6-32.5000110.8D386 H392 N393D386-N389 PolarHBondContact O-N 3.05Å; D386-N389 VanDerWaalsContact O-N 3.16Å; N389-H392 PolarHBondContact O-N 2.94Å; N389-N393 VanDerWaalsContact O-CB 3.29Å; N389-N393 WeakPolarHBondContact O-CB 3.4Å; N389-N393 PolarHBondContact O-N 3.37Å; N389-N393 PolarHBondContact O-ND2 2.86Å; N389-N393 VanDerWaalsContact O-ND2 3.11Å; N389-N393 PolarHBondContact O-OD1 3.3Å
390D69Low61Low59 Ų5995 Ų9532%0.31648%0.477SS..Hα-helixtrans-67-39-179.2-81.4-1.8000112.8D386 E388 N393 K394D386-D390 PolarHBondContact O-N 3.33Å; E388-D390 VanDerWaalsContact C-N 3.31Å; E388-D390 PolarHBondContact O-N 2.98Å; D390-N393 PolarHBondContact O-N 2.87Å; D390-K394 WeakPolarHBondContact O-CB 3.35Å; D390-K394 VanDerWaalsContact O-CG 3.24Å; D390-K394 WeakPolarHBondContact O-CG 3.2Å; D390-K394 PolarHBondContact O-N 3.1Å
391E75.5Confident63.5Low93 Ų9388.6 Ų88.644%0.43545%0.445SS..Hα-helixtrans-70.4-38177.6-172.758.7-159.800112K395E391-K395 WeakPolarHBondContact O-CG 3.47Å; E391-K395 PolarHBondContact O-N 2.75Å; E391-K395 VanDerWaalsContact O-N 3.13Å; E391-K395 WeakPolarHBondContact OE1-CE 3.03Å
392H79.4Confident66.1Low113 Ų11385.2 Ų85.252%0.52343%0.431SS..Hα-helixtrans-61.9-48.7171.7-177.880.7000111.2E388 N389 K394 K395 V396E388-H392 PolarHBondContact O-N 3.47Å; N389-H392 PolarHBondContact O-N 2.94Å; H392-K394 VanDerWaalsContact C-N 3.33Å; H392-K394 PolarHBondContact O-N 3.49Å; H392-K395 WeakPolarHBondContact O-CB 3.42Å; H392-K395 PolarHBondContact O-N 3.01Å; H392-K395 VanDerWaalsContact O-N 3.1Å; H392-V396 WeakPolarHBondContact O-CG2 3.48Å; H392-V396 PolarHBondContact O-N 2.93Å
393N80.2Confident68.7Low20 Ų2086.3 Ų86.311%0.10743%0.425CS..Hα-helixtrans-59.1-42.3179.5-70.2-18.6000111.9N389 D390 K395 V396 I397 F418N389-N393 VanDerWaalsContact O-CB 3.29Å; N389-N393 WeakPolarHBondContact O-CB 3.4Å; N389-N393 PolarHBondContact O-N 3.37Å; N389-N393 PolarHBondContact O-ND2 2.86Å; N389-N393 VanDerWaalsContact O-ND2 3.11Å; N389-N393 PolarHBondContact O-OD1 3.3Å; D390-N393 PolarHBondContact O-N 2.87Å; N393-K395 PolarHBondContact O-N 3.28Å; N393-V396 PolarHBondContact O-N 3.13Å; N393-I397 WeakPolarHBondContact O-CG1 3.34Å; N393-I397 PolarHBondContact O-N 2.92Å; N393-F418 HydrophobicContact CB-CD1 4.44Å; N393-F418 HydrophobicContact CB-CD2 4.12Å; N393-F418 HydrophobicContact CB-CE1 4.08Å; N393-F418 HydrophobicContact CB-CE2 3.76Å; N393-F418 HydrophobicContact CB-CG 4.47Å; N393-F418 HydrophobicContact CB-CZ 3.74Å; N393-F418 VanDerWaalsContact OD1-CD1 3.25Å; N393-F418 WeakPolarHBondContact OD1-CD1 3.4Å; N393-F418 WeakPolarHBondContact OD1-CE1 3.46Å
394K78.5Confident71Confident111 Ų11180.4 Ų80.448%0.48340%0.402SS..Hα-helixtrans-59.5-45.4173.8-75.7170.2-169.5165.30111.8D390 H392 V396 I397 L398D390-K394 WeakPolarHBondContact O-CB 3.35Å; D390-K394 VanDerWaalsContact O-CG 3.24Å; D390-K394 WeakPolarHBondContact O-CG 3.2Å; D390-K394 PolarHBondContact O-N 3.1Å; H392-K394 VanDerWaalsContact C-N 3.33Å; H392-K394 PolarHBondContact O-N 3.49Å; K394-V396 PolarHBondContact O-N 3.22Å; K394-I397 PolarHBondContact O-N 2.56Å; K394-L398 WeakPolarHBondContact O-CB 3.38Å; K394-L398 VanDerWaalsContact O-CG 3.26Å; K394-L398 WeakPolarHBondContact O-CG 3.43Å; K394-L398 PolarHBondContact O-N 2.98Å
395K84.4Confident73.4Confident126 Ų12682.7 Ų82.755%0.54841%0.408SS..Hα-helixtrans-62.4-41.1177.9-72.9171-175.1166.30112.3E391 H392 N393 L398 H399E391-K395 WeakPolarHBondContact O-CG 3.47Å; E391-K395 PolarHBondContact O-N 2.75Å; E391-K395 VanDerWaalsContact O-N 3.13Å; E391-K395 WeakPolarHBondContact OE1-CE 3.03Å; H392-K395 WeakPolarHBondContact O-CB 3.42Å; H392-K395 PolarHBondContact O-N 3.01Å; H392-K395 VanDerWaalsContact O-N 3.1Å; N393-K395 PolarHBondContact O-N 3.28Å; K395-L398 PolarHBondContact O-N 2.75Å; K395-H399 WeakPolarHBondContact O-CB 3.43Å; K395-H399 PolarHBondContact O-N 3.32Å
396V84.5Confident75.3Confident47 Ų4776.6 Ų76.629%0.28538%0.375SS..Hα-helixtrans-63-45.1175.9176.40000110.9H392 N393 K394 H399 L400 P416 F418H392-V396 WeakPolarHBondContact O-CG2 3.48Å; H392-V396 PolarHBondContact O-N 2.93Å; N393-V396 PolarHBondContact O-N 3.13Å; K394-V396 PolarHBondContact O-N 3.22Å; V396-H399 PolarHBondContact O-N 2.9Å; V396-L400 PolarHBondContact O-N 2.86Å; V396-P416 HydrophobicContact CG1-CB 4.21Å; V396-P416 HydrophobicContact CG1-CG 3.51Å; V396-F418 HydrophobicContact CB-CE1 4.25Å; V396-F418 HydrophobicContact CB-CZ 4.29Å; V396-F418 HydrophobicContact CG1-CE1 4.17Å; V396-F418 HydrophobicContact CG1-CZ 4.34Å
397I81.8Confident76.7Confident40 Ų4074.9 Ų74.921%0.20537%0.374CS..Hα-helixtrans-60.5-49174.9-71.6164.7000110.8N393 K394 H399 L400 L401 F418N393-I397 WeakPolarHBondContact O-CG1 3.34Å; N393-I397 PolarHBondContact O-N 2.92Å; K394-I397 PolarHBondContact O-N 2.56Å; I397-H399 VanDerWaalsContact C-N 3.28Å; I397-H399 PolarHBondContact O-N 2.8Å; I397-L400 WeakPolarHBondContact O-CB 3.42Å; I397-L400 PolarHBondContact O-N 2.98Å; I397-L400 VanDerWaalsContact O-N 3.16Å; I397-L401 HydrophobicContact CG2-CD1 3.57Å; I397-L401 HydrophobicContact CG2-CG 4.05Å; I397-L401 WeakPolarHBondContact O-CB 3.27Å; I397-L401 VanDerWaalsContact O-CG 3.26Å; I397-L401 WeakPolarHBondContact O-CG 3.34Å; I397-L401 PolarHBondContact O-N 3.33Å; I397-F418 HydrophobicContact CD1-CE2 3.77Å; I397-F418 HydrophobicContact CD1-CZ 4.21Å; I397-F418 HydrophobicContact CG1-CE2 3.98Å; I397-F418 HydrophobicContact CG1-CZ 3.96Å
398L81.6Confident78.3Confident65 Ų6571.8 Ų71.834%0.3436%0.356SS..Hα-helixtrans-59.8-40.4179.7-71.1170.2000111.7M43 K394 K395 S402 L600M43-L398 HydrophobicContact CE-CB 4.43Å; M43-L398 HydrophobicContact CE-CD2 3.87Å; M43-L398 HydrophobicContact SD-CD2 3.6Å; M43-L398 VanDerWaalsContact SD-CD2 3.6Å; K394-L398 WeakPolarHBondContact O-CB 3.38Å; K394-L398 VanDerWaalsContact O-CG 3.26Å; K394-L398 WeakPolarHBondContact O-CG 3.43Å; K394-L398 PolarHBondContact O-N 2.98Å; K395-L398 PolarHBondContact O-N 2.75Å; L398-S402 WeakPolarHBondContact O-CB 3.24Å; L398-S402 PolarHBondContact O-N 3.15Å; L398-L600 HydrophobicContact CD2-CD2 3.67Å
399H85.2Confident79.8Confident117 Ų11768.4 Ų68.454%0.54234%0.34SS..Hα-helixtrans-61.7-49.6174.2-177.572.9000111.4K395 V396 I397 L401 S402 Q403K395-H399 WeakPolarHBondContact O-CB 3.43Å; K395-H399 PolarHBondContact O-N 3.32Å; V396-H399 PolarHBondContact O-N 2.9Å; I397-H399 VanDerWaalsContact C-N 3.28Å; I397-H399 PolarHBondContact O-N 2.8Å; H399-L401 PolarHBondContact O-N 3.01Å; H399-S402 WeakPolarHBondContact O-CB 3.46Å; H399-S402 PolarHBondContact O-N 2.84Å; H399-S402 PolarHBondContact O-OG 2.78Å; H399-Q403 PolarHBondContact NE2-NE2 3.26Å
400L84.3Confident81Confident22 Ų2265.3 Ų65.312%0.11532%0.324CS..Hα-helixtrans-55.6-52176.8-176.867.6000111.1V396 I397 S402 Q403 L404 V413 F415V396-L400 PolarHBondContact O-N 2.86Å; I397-L400 WeakPolarHBondContact O-CB 3.42Å; I397-L400 PolarHBondContact O-N 2.98Å; I397-L400 VanDerWaalsContact O-N 3.16Å; L400-S402 VanDerWaalsContact C-N 3.26Å; L400-S402 PolarHBondContact O-N 2.92Å; L400-Q403 WeakPolarHBondContact O-CB 3.41Å; L400-Q403 PolarHBondContact O-N 2.86Å; L400-L404 WeakPolarHBondContact O-CG 3.49Å; L400-V413 HydrophobicContact CD1-CG1 3.67Å; L400-V413 HydrophobicContact CD2-CG1 4.47Å; L400-V413 HydrophobicContact CG-CG1 4.38Å; L400-F415 HydrophobicContact CD2-CD1 3.73Å; L400-F415 HydrophobicContact CD2-CE1 3.98Å
401L81.8Confident81.3Confident9 Ų966.4 Ų66.45%0.04733%0.332CS..Hα-helixtrans-63.3-30.2-178.8-66.2177.2000113.1I397 H399 Q403 L404 F562 I599 L600I397-L401 HydrophobicContact CG2-CD1 3.57Å; I397-L401 HydrophobicContact CG2-CG 4.05Å; I397-L401 WeakPolarHBondContact O-CB 3.27Å; I397-L401 VanDerWaalsContact O-CG 3.26Å; I397-L401 WeakPolarHBondContact O-CG 3.34Å; I397-L401 PolarHBondContact O-N 3.33Å; H399-L401 PolarHBondContact O-N 3.01Å; L401-Q403 PolarHBondContact O-N 3.37Å; L401-L404 HydrophobicContact CD2-CD1 3.87Å; L401-L404 PolarHBondContact O-N 2.86Å; L401-F562 HydrophobicContact CD2-CD2 4.49Å; L401-F562 HydrophobicContact CD2-CE2 3.53Å; L401-F562 HydrophobicContact CD2-CZ 3.88Å; L401-I599 HydrophobicContact CD1-CD1 4.24Å; L401-I599 HydrophobicContact CD1-CG1 4.28Å; L401-I599 HydrophobicContact CD2-CD1 3.67Å; L401-L600 HydrophobicContact CD1-CD2 3.17Å; L401-L600 HydrophobicContact CD1-CG 4.04Å
402S82.4Confident81.1Confident42 Ų4271.7 Ų71.729%0.29435%0.354SS..Hα-helixtrans-64.1-25.1175.881.40000113.1N41 L398 H399 L400N41-S402 PolarHBondContact ND2-O 2.77Å; L398-S402 WeakPolarHBondContact O-CB 3.24Å; L398-S402 PolarHBondContact O-N 3.15Å; H399-S402 WeakPolarHBondContact O-CB 3.46Å; H399-S402 PolarHBondContact O-N 2.84Å; H399-S402 PolarHBondContact O-OG 2.78Å; L400-S402 VanDerWaalsContact C-N 3.26Å; L400-S402 PolarHBondContact O-N 2.92Å
403Q83.8Confident81.1Confident117 Ų11767.5 Ų67.555%0.54734%0.336SS..Hα-helixtrans-86.5-20.6178.5-57.8-179.10.200112.7H399 L400 L401H399-Q403 PolarHBondContact NE2-NE2 3.26Å; L400-Q403 WeakPolarHBondContact O-CB 3.41Å; L400-Q403 PolarHBondContact O-N 2.86Å; L401-Q403 PolarHBondContact O-N 3.37Å
404L83.1Confident81.2Confident4 Ų471.6 Ų71.62%0.02136%0.362CS..PPolyproline II helixtrans-82.7139.4-176.2-46.6-176.5000111.9L400 L401 M408 L410 V413 F562L400-L404 WeakPolarHBondContact O-CG 3.49Å; L401-L404 HydrophobicContact CD2-CD1 3.87Å; L401-L404 PolarHBondContact O-N 2.86Å; L404-M408 HydrophobicContact CB-CE 3.83Å; L404-M408 HydrophobicContact CD2-CE 3.15Å; L404-M408 HydrophobicContact CG-CE 4.02Å; L404-L410 HydrophobicContact CD1-CD2 3.96Å; L404-L410 HydrophobicContact CD2-CD2 4.33Å; L404-V413 HydrophobicContact CD2-CG1 4.01Å; L404-V413 HydrophobicContact CD2-CG2 3.88Å; L404-F562 HydrophobicContact CB-CD1 3.5Å; L404-F562 VanDerWaalsContact CB-CD1 3.5Å; L404-F562 HydrophobicContact CB-CD2 4.4Å; L404-F562 HydrophobicContact CB-CE1 3.59Å; L404-F562 HydrophobicContact CB-CE2 4.49Å; L404-F562 HydrophobicContact CB-CG 3.91Å; L404-F562 HydrophobicContact CB-CZ 4.09Å; L404-F562 HydrophobicContact CD1-CB 4.4Å; L404-F562 HydrophobicContact CD1-CD1 4.25Å; L404-F562 HydrophobicContact CD1-CD2 3.63Å; L404-F562 HydrophobicContact CD1-CE1 4.41Å; L404-F562 HydrophobicContact CD1-CE2 3.82Å; L404-F562 HydrophobicContact CD1-CG 3.84Å; L404-F562 HydrophobicContact CD1-CZ 4.18Å
405K79.8Confident81.4Confident144 Ų14467.8 Ų67.863%0.62635%0.345SS*.PPolyproline II helixtrans-103.4144169.6-63.4176.6-174.7169.70109.7G407 M408 F562K405-G407 PolarHBondContact O-N 3Å; K405-M408 WeakPolarHBondContact O-CB 3.44Å; K405-M408 PolarHBondContact O-N 2.77Å; K405-F562 WeakPolarHBondContact O-CD1 3.47Å
406I78.2Confident81.5Confident33 Ų3362.9 Ų62.917%0.16933%0.326CS..THydrogen-bonded Turntrans-55.9134.5173.2-62.9-176.3000109.1F39 L104 K106 M408F39-I406 HydrophobicContact CD1-CD1 3.33Å; F39-I406 HydrophobicContact CD1-CG1 3.82Å; F39-I406 HydrophobicContact CD2-CD1 4.44Å; F39-I406 HydrophobicContact CE1-CD1 3.16Å; F39-I406 HydrophobicContact CE1-CG1 3.52Å; F39-I406 HydrophobicContact CE2-CD1 4.29Å; F39-I406 HydrophobicContact CG-CD1 4Å; F39-I406 HydrophobicContact CZ-CD1 3.67Å; F39-I406 HydrophobicContact CZ-CG1 4.35Å; L104-I406 HydrophobicContact CD2-CG2 4.09Å; K106-I406 HydrophobicContact CD-CD1 4.27Å; I406-M408 VanDerWaalsContact C-N 3.31Å
407G76.6Confident81.8Confident34 Ų3460.9 Ų60.935%0.35131%0.314SS..THydrogen-bonded Turntrans89.3-12.7-176.600000114.1K405 E409 F562K405-G407 PolarHBondContact O-N 3Å; G407-E409 PolarHBondContact O-N 3.41Å; G407-F562 PolarHBondContact N-O 3.46Å
408M83.3Confident82Confident64 Ų6460.8 Ų60.832%0.31531%0.312SS..  trans-64.2131.8-177.5-167.6169.678.200111.5L404 K405 I406 V413 F562L404-M408 HydrophobicContact CB-CE 3.83Å; L404-M408 HydrophobicContact CD2-CE 3.15Å; L404-M408 HydrophobicContact CG-CE 4.02Å; K405-M408 WeakPolarHBondContact O-CB 3.44Å; K405-M408 PolarHBondContact O-N 2.77Å; I406-M408 VanDerWaalsContact C-N 3.31Å; M408-V413 HydrophobicContact CE-CG2 3.97Å; M408-F562 PolarHBondContact O-N 3.12Å
409E82.8Confident82.3Confident106 Ų10659.8 Ų59.850%0.49531%0.307SS..BIsolated β-bridgetrans-69.6135.2171.9-65.6-166163.500110.7G407 S560 K561G407-E409 PolarHBondContact O-N 3.41Å; E409-S560 WeakPolarHBondContact CA-O 3.42Å; E409-K561 HydrophobicContact CG-CG 4.48Å
410L84Confident82.6Confident6 Ų654.6 Ų54.63%0.03128%0.283CS..  trans-91.92-173.1-65.1169.9000113.3L404 K412 V413 F415 S560 F562 V567L404-L410 HydrophobicContact CD1-CD2 3.96Å; L404-L410 HydrophobicContact CD2-CD2 4.33Å; L410-K412 PolarHBondContact O-N 3.3Å; L410-V413 HydrophobicContact CD2-CB 4.21Å; L410-V413 HydrophobicContact CD2-CG1 4.5Å; L410-V413 HydrophobicContact CD2-CG2 3.9Å; L410-V413 WeakPolarHBondContact O-CB 3.4Å; L410-V413 PolarHBondContact O-N 2.83Å; L410-F415 HydrophobicContact CB-CE2 4.25Å; L410-F415 HydrophobicContact CB-CZ 4.34Å; L410-F415 HydrophobicContact CD1-CZ 4.08Å; L410-F415 HydrophobicContact CD2-CZ 4.13Å; L410-F415 HydrophobicContact CG-CZ 4.41Å; L410-S560 PolarHBondContact N-O 3.42Å; L410-F562 HydrophobicContact CD1-CB 4.42Å; L410-F562 HydrophobicContact CD2-CB 4.02Å; L410-F562 HydrophobicContact CG-CB 4.34Å; L410-V567 HydrophobicContact CD1-CB 4.21Å; L410-V567 HydrophobicContact CD1-CG1 3.35Å; L410-V567 HydrophobicContact CD1-CG2 3.87Å
411T76.3Confident82.8Confident82 Ų8253.6 Ų53.650%0.50328%0.278SS..THydrogen-bonded Turntrans-57.8-33.1-176.1-45.40000112.9
412K71.3Confident83.4Confident204 Ų20456.7 Ų56.789%0.88729%0.292SS*.THydrogen-bonded Turntrans-97.10.7179.3-62.1-174.7-179.9-179.40113.6L410L410-K412 PolarHBondContact O-N 3.3Å
413V79.8Confident83.9Confident24 Ų2456.6 Ų56.615%0.14529%0.286CS..  trans-90.8117.4-177.1-179.70000109L400 L404 M408 L410 F415L400-V413 HydrophobicContact CD1-CG1 3.67Å; L400-V413 HydrophobicContact CD2-CG1 4.47Å; L400-V413 HydrophobicContact CG-CG1 4.38Å; L404-V413 HydrophobicContact CD2-CG1 4.01Å; L404-V413 HydrophobicContact CD2-CG2 3.88Å; M408-V413 HydrophobicContact CE-CG2 3.97Å; L410-V413 HydrophobicContact CD2-CB 4.21Å; L410-V413 HydrophobicContact CD2-CG1 4.5Å; L410-V413 HydrophobicContact CD2-CG2 3.9Å; L410-V413 WeakPolarHBondContact O-CB 3.4Å; L410-V413 PolarHBondContact O-N 2.83Å; V413-F415 HydrophobicContact CB-CE2 4.35Å; V413-F415 HydrophobicContact CG1-CE2 4.27Å; V413-F415 HydrophobicContact CG1-CZ 4.33Å; V413-F415 WeakPolarHBondContact O-CD2 3.39Å; V413-F415 PolarHBondContact O-N 2.92Å
414V81.2Confident84.4Confident106 Ų10651 Ų5164%0.64226%0.26SS*.  trans-79.8115.8173.8-176.70000108.3
415F83.8Confident84.9Confident31 Ų3151.5 Ų51.514%0.13626%0.262CS..  trans-85.4147.1174.4-72.7-85.8000110.8L400 L410 V413 I419 K474L400-F415 HydrophobicContact CD2-CD1 3.73Å; L400-F415 HydrophobicContact CD2-CE1 3.98Å; L410-F415 HydrophobicContact CB-CE2 4.25Å; L410-F415 HydrophobicContact CB-CZ 4.34Å; L410-F415 HydrophobicContact CD1-CZ 4.08Å; L410-F415 HydrophobicContact CD2-CZ 4.13Å; L410-F415 HydrophobicContact CG-CZ 4.41Å; V413-F415 HydrophobicContact CB-CE2 4.35Å; V413-F415 HydrophobicContact CG1-CE2 4.27Å; V413-F415 HydrophobicContact CG1-CZ 4.33Å; V413-F415 WeakPolarHBondContact O-CD2 3.39Å; V413-F415 PolarHBondContact O-N 2.92Å; F415-I419 HydrophobicContact CB-CD1 3.64Å; F415-I419 HydrophobicContact CB-CG1 4.05Å; F415-I419 HydrophobicContact CD1-CD1 3.42Å; F415-I419 VanDerWaalsContact CD1-CD1 3.42Å; F415-I419 HydrophobicContact CE1-CD1 4.33Å; F415-I419 HydrophobicContact CG-CD1 3.78Å; F415-K474 HydrophobicContact CD2-CD 4.01Å; F415-K474 VanDerWaalsContact CD2-NZ 3.31Å; F415-K474 HydrophobicContact CG-CD 4.34Å
416P86.5Confident85.7Confident24 Ų2444.6 Ų44.616%0.15623%0.232CC..  trans-58.8150.8173.6-22.733000112.5V396 F418 I419V396-P416 HydrophobicContact CG1-CB 4.21Å; V396-P416 HydrophobicContact CG1-CG 3.51Å; P416-F418 VanDerWaalsContact C-N 3.34Å; P416-F418 HydrophobicContact CB-CD1 3.57Å; P416-F418 HydrophobicContact CB-CE1 3.18Å; P416-F418 HydrophobicContact CB-CE2 4.3Å; P416-F418 HydrophobicContact CB-CG 4.29Å; P416-F418 HydrophobicContact CB-CZ 3.58Å; P416-F418 HydrophobicContact CG-CE1 3.84Å; P416-F418 HydrophobicContact CG-CZ 3.85Å; P416-F418 PolarHBondContact O-N 3.41Å; P416-I419 VanDerWaalsContact O-CG1 3.23Å; P416-I419 WeakPolarHBondContact O-CG1 3.44Å; P416-I419 PolarHBondContact O-N 2.86Å
417T90Very high86.6Confident5 Ų543.5 Ų43.53%0.03123%0.226CC..G310 helixtrans-70.4-27-176.549.40000113.9I419 L420 L735 F740 A743 T744 K747T417-I419 PolarHBondContact O-N 3.2Å; T417-L420 HydrophobicContact CG2-CD1 4Å; T417-L420 VanDerWaalsContact O-CB 3.28Å; T417-L420 WeakPolarHBondContact O-CB 3.28Å; T417-L420 WeakPolarHBondContact O-CG 3.47Å; T417-L420 PolarHBondContact O-N 3.28Å; T417-L735 WeakPolarHBondContact O-CD2 3.27Å; T417-F740 PolarHBondContact OG1-O 2.99Å; T417-F740 VanDerWaalsContact OG1-O 3.04Å; T417-A743 HydrophobicContact CG2-CB 4.25Å; T417-T744 VanDerWaalsContact CG2-OG1 3.31Å; T417-T744 WeakPolarHBondContact CG2-OG1 3.24Å; T417-T744 PolarHBondContact OG1-OG1 2.72Å; T417-T744 VanDerWaalsContact OG1-OG1 3.13Å; T417-K747 HydrophobicContact CG2-CD 4.16Å
418F87.2Confident87.3Confident37 Ų3742.9 Ų42.916%0.16222%0.215CC..G310 helixtrans-66.1-16.6178.961.9-102.9000114.3N393 V396 I397 P416 F740N393-F418 HydrophobicContact CB-CD1 4.44Å; N393-F418 HydrophobicContact CB-CD2 4.12Å; N393-F418 HydrophobicContact CB-CE1 4.08Å; N393-F418 HydrophobicContact CB-CE2 3.76Å; N393-F418 HydrophobicContact CB-CG 4.47Å; N393-F418 HydrophobicContact CB-CZ 3.74Å; N393-F418 VanDerWaalsContact OD1-CD1 3.25Å; N393-F418 WeakPolarHBondContact OD1-CD1 3.4Å; N393-F418 WeakPolarHBondContact OD1-CE1 3.46Å; V396-F418 HydrophobicContact CB-CE1 4.25Å; V396-F418 HydrophobicContact CB-CZ 4.29Å; V396-F418 HydrophobicContact CG1-CE1 4.17Å; V396-F418 HydrophobicContact CG1-CZ 4.34Å; I397-F418 HydrophobicContact CD1-CE2 3.77Å; I397-F418 HydrophobicContact CD1-CZ 4.21Å; I397-F418 HydrophobicContact CG1-CE2 3.98Å; I397-F418 HydrophobicContact CG1-CZ 3.96Å; P416-F418 VanDerWaalsContact C-N 3.34Å; P416-F418 HydrophobicContact CB-CD1 3.57Å; P416-F418 HydrophobicContact CB-CE1 3.18Å; P416-F418 HydrophobicContact CB-CE2 4.3Å; P416-F418 HydrophobicContact CB-CG 4.29Å; P416-F418 HydrophobicContact CB-CZ 3.58Å; P416-F418 HydrophobicContact CG-CE1 3.84Å; P416-F418 HydrophobicContact CG-CZ 3.85Å; P416-F418 PolarHBondContact O-N 3.41Å; F418-F740 HydrophobicContact CB-CD1 3.57Å; F418-F740 HydrophobicContact CB-CD2 4.25Å; F418-F740 HydrophobicContact CB-CE1 3.48Å; F418-F740 VanDerWaalsContact CB-CE1 3.48Å; F418-F740 HydrophobicContact CB-CE2 4.16Å; F418-F740 HydrophobicContact CB-CG 3.97Å; F418-F740 HydrophobicContact CB-CZ 3.79Å
419I87.3Confident87.8Confident44 Ų4439.9 Ų39.923%0.22620%0.2CC..G310 helixtrans-92.10.317374.4157000113.1F415 P416 T417 K473 K474F415-I419 HydrophobicContact CB-CD1 3.64Å; F415-I419 HydrophobicContact CB-CG1 4.05Å; F415-I419 HydrophobicContact CD1-CD1 3.42Å; F415-I419 VanDerWaalsContact CD1-CD1 3.42Å; F415-I419 HydrophobicContact CE1-CD1 4.33Å; F415-I419 HydrophobicContact CG-CD1 3.78Å; P416-I419 VanDerWaalsContact O-CG1 3.23Å; P416-I419 WeakPolarHBondContact O-CG1 3.44Å; P416-I419 PolarHBondContact O-N 2.86Å; T417-I419 PolarHBondContact O-N 3.2Å; I419-K473 CarbonylContact O-C 3.55Å; I419-K473 WeakPolarHBondContact O-CA 3.47Å; I419-K474 PolarHBondContact O-N 3.39Å
420L90.2Very high88.4Confident8 Ų834.8 Ų34.84%0.04218%0.176CC..EExtended strand (participates in β ladder)trans-81.6143.8-177.7-61.3177.3000111.3T417 K474 Y476 L735 K747T417-L420 HydrophobicContact CG2-CD1 4Å; T417-L420 VanDerWaalsContact O-CB 3.28Å; T417-L420 WeakPolarHBondContact O-CB 3.28Å; T417-L420 WeakPolarHBondContact O-CG 3.47Å; T417-L420 PolarHBondContact O-N 3.28Å; L420-K474 CarbonylContact C-O 3.49Å; L420-K474 VanDerWaalsContact CA-O 3.24Å; L420-K474 WeakPolarHBondContact CA-O 3.45Å; L420-K474 HydrophobicContact CD2-CB 4.27Å; L420-K474 HydrophobicContact CD2-CD 4.34Å; L420-K474 HydrophobicContact CD2-CG 4.49Å; L420-Y476 HydrophobicContact CB-CD1 4.43Å; L420-Y476 HydrophobicContact CB-CE1 4.12Å; L420-Y476 HydrophobicContact CD1-CD1 4.16Å; L420-Y476 HydrophobicContact CD1-CE1 4.1Å; L420-L735 HydrophobicContact CB-CD1 4.15Å; L420-K747 HydrophobicContact CD1-CD 3.83Å
421A90.2Very high88.8Confident2 Ų236.1 Ų36.12%0.01718%0.183CC..EExtended strand (participates in β ladder)trans-78.8159.5166.500000109.3Y423 K473 K474 Y476A421-Y423 HydrophobicContact CB-CD1 4.02Å; A421-Y423 HydrophobicContact CB-CD2 4.28Å; A421-Y423 HydrophobicContact CB-CE1 3.67Å; A421-Y423 HydrophobicContact CB-CE2 3.92Å; A421-Y423 HydrophobicContact CB-CG 4.32Å; A421-Y423 PolarHBondContact O-N 3.49Å; A421-K473 HydrophobicContact CB-CB 3.78Å; A421-K474 PolarHBondContact N-O 2.7Å; A421-Y476 WeakPolarHBondContact O-CE1 3.37Å; A421-Y476 VanDerWaalsContact O-CZ 3.26Å
422E93.2Very high89.5Confident73 Ų7333.2 Ų33.234%0.34116%0.163SC..EExtended strand (participates in β ladder)trans-83.716.5-176.8-66.8179.6-165.200113.5T732 L735 K736E422-T732 HydrophobicContact CB-CG2 4.05Å; E422-T732 HydrophobicContact CG-CG2 4.47Å; E422-T732 PolarHBondContact O-OG1 2.58Å; E422-L735 HydrophobicContact CG-CB 4.41Å; E422-L735 HydrophobicContact CG-CD1 4.48Å; E422-K736 WeakPolarHBondContact OE2-CE 3.35Å; E422-K736 VanDerWaalsContact OE2-CG 3.27Å; E422-K736 WeakPolarHBondContact OE2-CG 3.43Å
423Y93.4Very high90.5Very high40 Ų4023.5 Ų23.516%0.15712%0.121CC..EExtended strand (participates in β ladder)trans-141.4156.9-175.655-102000111.6A421 M428 P475 Y476A421-Y423 HydrophobicContact CB-CD1 4.02Å; A421-Y423 HydrophobicContact CB-CD2 4.28Å; A421-Y423 HydrophobicContact CB-CE1 3.67Å; A421-Y423 HydrophobicContact CB-CE2 3.92Å; A421-Y423 HydrophobicContact CB-CG 4.32Å; A421-Y423 PolarHBondContact O-N 3.49Å; Y423-M428 HydrophobicContact CD2-CB 4.13Å; Y423-M428 HydrophobicContact CE2-CB 3.86Å; Y423-M428 HydrophobicContact CE2-CG 4.08Å; Y423-P475 HydrophobicContact CD2-CB 4.05Å; Y423-P475 HydrophobicContact CE2-CB 3.97Å; Y423-P475 WeakPolarHBondContact O-CA 3.22Å; Y423-Y476 VanDerWaalsContact C-CD2 3.47Å; Y423-Y476 WeakPolarHBondContact O-CD2 3.2Å; Y423-Y476 PolarHBondContact O-N 3.18Å
424S95.2Very high90.9Very high1 Ų122.7 Ų22.71%0.00712%0.117CC..EExtended strand (participates in β ladder)trans-81.8165.8176.775.70000112.3L426 E427 M428 E482 S724S424-L426 PolarHBondContact O-N 3.35Å; S424-L426 PolarHBondContact OG-N 3.28Å; S424-E427 PolarHBondContact O-N 3.36Å; S424-E427 VanDerWaalsContact O-N 3.16Å; S424-E427 PolarHBondContact OG-N 3.34Å; S424-M428 PolarHBondContact O-N 2.97Å; S424-E482 WeakPolarHBondContact CB-OE1 3.37Å; S424-E482 PolarHBondContact OG-OE1 3.45Å; S424-E482 VanDerWaalsContact OG-OE1 3.08Å; S424-S724 WeakPolarHBondContact OG-CB 3.42Å; S424-S724 PolarHBondContact OG-OG 3.24Å
425L93.8Very high91.4Very high13 Ų1317.7 Ų17.77%0.0689%0.086CC..Hα-helixtrans-58.6-30.1173.3-169.473.1000112.2M428 F429 P475 Y476 P478 T558L425-M428 HydrophobicContact CD1-CE 3.4Å; L425-M428 HydrophobicContact CD1-SD 3.8Å; L425-M428 HydrophobicContact CG-CE 4.39Å; L425-M428 WeakPolarHBondContact O-CB 3.45Å; L425-M428 PolarHBondContact O-N 3.03Å; L425-F429 HydrophobicContact CD1-CE2 4.39Å; L425-F429 HydrophobicContact CD1-CZ 4.41Å; L425-F429 HydrophobicContact CD2-CE2 4Å; L425-F429 HydrophobicContact CD2-CZ 4.39Å; L425-F429 HydrophobicContact CG-CD2 4.35Å; L425-F429 HydrophobicContact CG-CE2 3.73Å; L425-F429 HydrophobicContact CG-CZ 4.2Å; L425-F429 VanDerWaalsContact O-CD2 3.22Å; L425-F429 WeakPolarHBondContact O-CD2 3.39Å; L425-F429 PolarHBondContact O-N 3.43Å; L425-P475 HydrophobicContact CB-CG 4.48Å; L425-P475 HydrophobicContact CD1-CG 3.8Å; L425-Y476 PolarHBondContact N-O 3.16Å; L425-P478 HydrophobicContact CB-CG 3.63Å; L425-T558 HydrophobicContact CD1-CG2 4.41Å; L425-T558 HydrophobicContact CD2-CG2 3.8Å
426L96.5Very high91.9Very high0 Ų016.2 Ų16.20%08%0.08CC..Hα-helixtrans-64.2-42.8176.9-52.9-171.5000111.5S424 P478 E482 F484 Y527 A529 Q531 T539S424-L426 PolarHBondContact O-N 3.35Å; S424-L426 PolarHBondContact OG-N 3.28Å; L426-P478 HydrophobicContact CD1-CB 4.47Å; L426-P478 HydrophobicContact CD2-CB 4.28Å; L426-P478 HydrophobicContact CD2-CG 3.96Å; L426-P478 HydrophobicContact CG-CB 4.08Å; L426-P478 HydrophobicContact CG-CG 3.84Å; L426-E482 HydrophobicContact CD1-CB 4.08Å; L426-E482 HydrophobicContact CD1-CG 3.81Å; L426-E482 VanDerWaalsContact CD1-O 3.28Å; L426-E482 WeakPolarHBondContact CD1-O 3.48Å; L426-F484 HydrophobicContact CB-CB 3.68Å; L426-F484 HydrophobicContact CD1-CB 4.27Å; L426-Y527 PolarHBondContact O-OH 3.01Å; L426-A529 HydrophobicContact CB-CB 4.16Å; L426-A529 HydrophobicContact CD2-CB 4.37Å; L426-Q531 HydrophobicContact CD2-CB 4.43Å; L426-T539 HydrophobicContact CD2-CG2 3.26Å
427E95.4Very high92.1Very high9 Ų915 Ų154%0.0427%0.072CC..Hα-helixtrans-71.5-33.7174.8177.5164.7-177.700111.7S424 F429 A430 N431 F484 K711 R725S424-E427 PolarHBondContact O-N 3.36Å; S424-E427 VanDerWaalsContact O-N 3.16Å; S424-E427 PolarHBondContact OG-N 3.34Å; E427-F429 VanDerWaalsContact C-N 3.3Å; E427-F429 PolarHBondContact O-N 3.28Å; E427-A430 VanDerWaalsContact O-CB 3.29Å; E427-A430 WeakPolarHBondContact O-CB 3.42Å; E427-A430 PolarHBondContact O-N 2.81Å; E427-A430 VanDerWaalsContact O-N 3.09Å; E427-N431 PolarHBondContact O-N 3.27Å; E427-F484 HydrophobicContact CB-CD1 4.28Å; E427-F484 HydrophobicContact CB-CD2 3.98Å; E427-F484 HydrophobicContact CB-CE1 3.97Å; E427-F484 HydrophobicContact CB-CE2 3.65Å; E427-F484 HydrophobicContact CB-CG 4.26Å; E427-F484 HydrophobicContact CB-CZ 3.62Å; E427-F484 HydrophobicContact CG-CE1 3.99Å; E427-F484 HydrophobicContact CG-CE2 3.79Å; E427-F484 HydrophobicContact CG-CZ 3.41Å; E427-F484 VanDerWaalsContact CG-CZ 3.41Å; E427-F484 WeakPolarHBondContact OE2-CE2 3.46Å; E427-K711 WeakPolarHBondContact OE1-CE 3.2Å; E427-K711 IonicContact OE1-NZ 3.16Å; E427-K711 PolarHBondContact OE1-NZ 2.81Å; E427-R725 IonicContact OE1-CZ 3.93Å; E427-R725 IonicContact OE1-NE 3.76Å; E427-R725 PolarHBondContact OE1-NE 3.22Å; E427-R725 IonicContact OE1-NH2 2.92Å; E427-R725 PolarHBondContact OE1-NH2 3.11Å; E427-R725 IonicContact OE2-CZ 2.76Å; E427-R725 IonicContact OE2-NE 2.96Å; E427-R725 PolarHBondContact OE2-NE 3.43Å; E427-R725 VanDerWaalsContact OE2-NE 3.11Å; E427-R725 IonicContact OE2-NH2 2.68Å
428M92.8Very high92.2Very high21 Ų2115.2 Ų15.210%0.1037%0.073CC..Hα-helixtrans-57.1-43.1174.6-171.8-161.876.600111.7Y423 S424 L425 A430 N431 P475 M571Y423-M428 HydrophobicContact CD2-CB 4.13Å; Y423-M428 HydrophobicContact CE2-CB 3.86Å; Y423-M428 HydrophobicContact CE2-CG 4.08Å; S424-M428 PolarHBondContact O-N 2.97Å; L425-M428 HydrophobicContact CD1-CE 3.4Å; L425-M428 HydrophobicContact CD1-SD 3.8Å; L425-M428 HydrophobicContact CG-CE 4.39Å; L425-M428 WeakPolarHBondContact O-CB 3.45Å; L425-M428 PolarHBondContact O-N 3.03Å; M428-A430 VanDerWaalsContact C-N 3.3Å; M428-A430 PolarHBondContact O-N 3.36Å; M428-N431 WeakPolarHBondContact O-CB 3.24Å; M428-N431 PolarHBondContact O-N 2.94Å; M428-N431 VanDerWaalsContact O-N 3.16Å; M428-P475 HydrophobicContact SD-CG 3.9Å; M428-M571 HydrophobicContact CE-CE 4.1Å
429F93.8Very high92.6Very high1 Ų113.5 Ų13.50%0.0047%0.065CC..Hα-helixtrans-66.4-31177.2-70.5-53.9000113L425 E427 N431 Y432 Y527 T539 F541 L556 M571 L591L425-F429 HydrophobicContact CD1-CE2 4.39Å; L425-F429 HydrophobicContact CD1-CZ 4.41Å; L425-F429 HydrophobicContact CD2-CE2 4Å; L425-F429 HydrophobicContact CD2-CZ 4.39Å; L425-F429 HydrophobicContact CG-CD2 4.35Å; L425-F429 HydrophobicContact CG-CE2 3.73Å; L425-F429 HydrophobicContact CG-CZ 4.2Å; L425-F429 VanDerWaalsContact O-CD2 3.22Å; L425-F429 WeakPolarHBondContact O-CD2 3.39Å; L425-F429 PolarHBondContact O-N 3.43Å; E427-F429 VanDerWaalsContact C-N 3.3Å; E427-F429 PolarHBondContact O-N 3.28Å; F429-N431 VanDerWaalsContact C-N 3.28Å; F429-N431 PolarHBondContact O-N 3.26Å; F429-Y432 HydrophobicContact CD1-CD2 4.17Å; F429-Y432 AromaticContact CD1-CE2 3.91Å; F429-Y432 HydrophobicContact CD1-CE2 3.91Å; F429-Y432 HydrophobicContact CE1-CE2 4.42Å; F429-Y432 PolarHBondContact O-N 3.47Å; F429-Y527 WeakPolarHBondContact CB-OH 3.41Å; F429-T539 HydrophobicContact CD2-CG2 3.86Å; F429-T539 HydrophobicContact CE2-CG2 3.9Å; F429-F541 HydrophobicContact CB-CD1 4.21Å; F429-F541 HydrophobicContact CB-CE1 4.07Å; F429-F541 HydrophobicContact CD1-CE1 4.2Å; F429-F541 HydrophobicContact CD2-CD1 4.21Å; F429-F541 HydrophobicContact CD2-CE1 4.15Å; F429-F541 HydrophobicContact CG-CD1 4.24Å; F429-F541 AromaticContact CG-CE1 3.89Å; F429-F541 HydrophobicContact CG-CE1 3.89Å; F429-L556 HydrophobicContact CD1-CD1 3.93Å; F429-L556 HydrophobicContact CE1-CD1 3.3Å; F429-L556 HydrophobicContact CE2-CD1 4.27Å; F429-L556 HydrophobicContact CZ-CB 4.11Å; F429-L556 HydrophobicContact CZ-CD1 3.5Å; F429-L556 VanDerWaalsContact CZ-CD1 3.5Å; F429-L556 HydrophobicContact CZ-CG 4.47Å; F429-M571 HydrophobicContact CE1-SD 4.2Å; F429-L591 HydrophobicContact CD1-CD1 4.36Å; F429-L591 HydrophobicContact CE1-CD1 4.01Å
430A94.4Very high92.9Very high0 Ų011.4 Ų11.40%06%0.055CC..Hα-helixtrans-63.1-34.7172.600000111.9E427 M428 Y432 M433 F484 W488 Y527E427-A430 VanDerWaalsContact O-CB 3.29Å; E427-A430 WeakPolarHBondContact O-CB 3.42Å; E427-A430 PolarHBondContact O-N 2.81Å; E427-A430 VanDerWaalsContact O-N 3.09Å; M428-A430 VanDerWaalsContact C-N 3.3Å; M428-A430 PolarHBondContact O-N 3.36Å; A430-Y432 PolarHBondContact O-N 2.9Å; A430-Y432 VanDerWaalsContact O-N 3.12Å; A430-M433 PolarHBondContact O-N 3.1Å; A430-F484 HydrophobicContact CB-CD1 4.29Å; A430-F484 HydrophobicContact CB-CE1 3.81Å; A430-W488 HydrophobicContact CB-CH2 3.98Å; A430-W488 HydrophobicContact CB-CZ2 4.49Å; A430-W488 WeakPolarHBondContact O-CH2 3.32Å; A430-W488 VanDerWaalsContact O-CZ2 3.26Å; A430-W488 WeakPolarHBondContact O-CZ2 3.26Å; A430-Y527 HydrophobicContact CB-CD1 3.94Å; A430-Y527 HydrophobicContact CB-CE1 3.78Å; A430-Y527 HydrophobicContact CB-CE2 4.47Å; A430-Y527 HydrophobicContact CB-CG 4.35Å
431N91.6Very high92.9Very high33 Ų3311.5 Ų11.518%0.1765%0.054CC..THydrogen-bonded Turntrans-63.3-18-179.5-63.7-22000114E427 M428 F429 M433 K711E427-N431 PolarHBondContact O-N 3.27Å; M428-N431 WeakPolarHBondContact O-CB 3.24Å; M428-N431 PolarHBondContact O-N 2.94Å; M428-N431 VanDerWaalsContact O-N 3.16Å; F429-N431 VanDerWaalsContact C-N 3.28Å; F429-N431 PolarHBondContact O-N 3.26Å; N431-M433 PolarHBondContact O-N 2.97Å; N431-K711 PolarHBondContact OD1-NZ 3.4Å
432Y91.4Very high93.1Very high21 Ų2111.4 Ų11.48%0.0825%0.054CC..THydrogen-bonded Turntrans-67.9-17.6173.7-71.8-55.7000113.1F429 A430 A434 T462 F463 L591F429-Y432 HydrophobicContact CD1-CD2 4.17Å; F429-Y432 AromaticContact CD1-CE2 3.91Å; F429-Y432 HydrophobicContact CD1-CE2 3.91Å; F429-Y432 HydrophobicContact CE1-CE2 4.42Å; F429-Y432 PolarHBondContact O-N 3.47Å; A430-Y432 PolarHBondContact O-N 2.9Å; A430-Y432 VanDerWaalsContact O-N 3.12Å; Y432-A434 PolarHBondContact O-N 3.45Å; Y432-A434 VanDerWaalsContact O-N 3.09Å; Y432-T462 WeakPolarHBondContact O-CB 3.25Å; Y432-T462 WeakPolarHBondContact O-CG2 3.43Å; Y432-F463 HydrophobicContact CE1-CD1 4.05Å; Y432-F463 HydrophobicContact CE1-CE1 4.32Å; Y432-L591 HydrophobicContact CE2-CD1 4.04Å
433M93.1Very high93.1Very high1 Ų17.9 Ų7.91%0.0054%0.037CC..  trans-8650.8175.7-167.559.373.400112.2A430 N431 P436 F439 W458 W488 I525 F543A430-M433 PolarHBondContact O-N 3.1Å; N431-M433 PolarHBondContact O-N 2.97Å; M433-P436 HydrophobicContact CG-CB 4.32Å; M433-P436 HydrophobicContact SD-CB 4.34Å; M433-F439 HydrophobicContact CE-CB 4.48Å; M433-F439 HydrophobicContact CE-CD1 4.04Å; M433-F439 HydrophobicContact CE-CD2 3.92Å; M433-F439 HydrophobicContact CE-CE1 4.17Å; M433-F439 HydrophobicContact CE-CE2 4.05Å; M433-F439 HydrophobicContact CE-CG 3.89Å; M433-F439 HydrophobicContact CE-CZ 4.16Å; M433-F439 HydrophobicContact SD-CB 3.85Å; M433-F439 HydrophobicContact SD-CD1 4.21Å; M433-F439 HydrophobicContact SD-CD2 4.36Å; M433-F439 HydrophobicContact SD-CG 3.9Å; M433-W458 HydrophobicContact CE-CZ2 3.97Å; M433-W458 HydrophobicContact SD-CZ2 4.42Å; M433-W488 HydrophobicContact CB-CD2 4.47Å; M433-W488 HydrophobicContact CB-CH2 3.86Å; M433-W488 HydrophobicContact CB-CZ2 3.71Å; M433-W488 HydrophobicContact CB-CZ3 4.3Å; M433-W488 HydrophobicContact CG-CD2 4.12Å; M433-W488 HydrophobicContact CG-CE3 4.2Å; M433-W488 HydrophobicContact CG-CH2 4.35Å; M433-W488 HydrophobicContact CG-CZ2 4.27Å; M433-W488 HydrophobicContact CG-CZ3 4.32Å; M433-W488 PolarHBondContact O-NE1 2.74Å; M433-I525 HydrophobicContact SD-CD1 4.43Å; M433-F543 HydrophobicContact CB-CD1 4.22Å; M433-F543 HydrophobicContact CB-CE1 3.5Å; M433-F543 HydrophobicContact CB-CZ 4.04Å; M433-F543 HydrophobicContact CE-CB 4.23Å; M433-F543 HydrophobicContact CE-CD1 3.56Å; M433-F543 HydrophobicContact CE-CD2 4.28Å; M433-F543 HydrophobicContact CE-CE1 3.88Å; M433-F543 HydrophobicContact CE-CG 3.78Å; M433-F543 HydrophobicContact CE-CZ 4.35Å; M433-F543 HydrophobicContact CG-CD1 4.22Å; M433-F543 HydrophobicContact CG-CE1 4Å
434A88.1Confident93Very high6 Ų66.6 Ų6.65%0.053%0.033CC..SBendtrans-76.4-28.7-178.100000114.2Y432 P436 S465 V708 F709Y432-A434 PolarHBondContact O-N 3.45Å; Y432-A434 VanDerWaalsContact O-N 3.09Å; A434-P436 WeakPolarHBondContact O-CD 3.4Å; A434-S465 VanDerWaalsContact CB-OG 3.32Å; A434-S465 WeakPolarHBondContact CB-OG 3.33Å; A434-V708 HydrophobicContact CB-CG1 4.39Å; A434-V708 WeakPolarHBondContact O-CA 3.29Å; A434-F709 PolarHBondContact O-N 2.72Å; A434-F709 VanDerWaalsContact O-N 3.07Å
435H91.5Very high92.7Very high1 Ų16.7 Ų6.71%0.0053%0.033CC..  trans-11866.5-179.2-53.2-62.8000110.5N437 L438 F439 T461 S465 L706 P707H435-N437 VanDerWaalsContact C-OD1 3.32Å; H435-N437 WeakPolarHBondContact CA-OD1 3.45Å; H435-N437 PolarHBondContact O-N 3.15Å; H435-L438 HydrophobicContact CB-CB 4.15Å; H435-L438 HydrophobicContact CB-CD1 4Å; H435-L438 HydrophobicContact CB-CG 4.2Å; H435-L438 PolarHBondContact O-N 2.95Å; H435-L438 VanDerWaalsContact O-N 3.11Å; H435-F439 PolarHBondContact O-N 2.83Å; H435-T461 PolarHBondContact CD2-OG1 2.72Å; H435-S465 PolarHBondContact NE2-OG 2.8Å; H435-L706 VanDerWaalsContact CE1-CB 3.42Å; H435-L706 WeakPolarHBondContact CE1-CB 3.41Å; H435-P707 PolarHBondContact ND1-O 2.97Å
436P93.2Very high92.6Very high0 Ų09.2 Ų9.20%05%0.049CC..Hα-helixtrans-62.3-26.5179.828-37.7000112.9M433 A434 F439 C440 W488 V490 I525 F709M433-P436 HydrophobicContact CG-CB 4.32Å; M433-P436 HydrophobicContact SD-CB 4.34Å; A434-P436 WeakPolarHBondContact O-CD 3.4Å; P436-F439 WeakPolarHBondContact O-CB 3.33Å; P436-F439 PolarHBondContact O-N 2.85Å; P436-C440 PolarHBondContact O-N 3.09Å; P436-C440 PolarHBondContact O-SG 3.21Å; P436-C440 VanDerWaalsContact O-SG 3.32Å; P436-W488 HydrophobicContact CB-CB 4.4Å; P436-W488 HydrophobicContact CG-CB 4.34Å; P436-W488 HydrophobicContact CG-CG 4.45Å; P436-V490 HydrophobicContact CB-CG2 3.66Å; P436-V490 HydrophobicContact CG-CG2 3.72Å; P436-I525 HydrophobicContact CB-CD1 3.38Å; P436-F709 HydrophobicContact CG-CB 3.52Å; P436-F709 HydrophobicContact CG-CD1 4.15Å; P436-F709 HydrophobicContact CG-CD2 3.64Å; P436-F709 HydrophobicContact CG-CE2 4.36Å; P436-F709 HydrophobicContact CG-CG 3.5Å; P436-F709 VanDerWaalsContact CG-CG 3.5Å
437N91.4Very high92.3Very high0 Ų012 Ų120%06%0.064CC..Hα-helixtrans-58.4-45.8170.964.6-45.5000111.8H435 R441 V490 F709H435-N437 VanDerWaalsContact C-OD1 3.32Å; H435-N437 WeakPolarHBondContact CA-OD1 3.45Å; H435-N437 PolarHBondContact O-N 3.15Å; N437-R441 WeakPolarHBondContact O-CG 3.45Å; N437-R441 PolarHBondContact O-N 3.1Å; N437-V490 HydrophobicContact CB-CG1 4.38Å; N437-F709 HydrophobicContact CB-CE2 4.03Å; N437-F709 HydrophobicContact CB-CZ 4.18Å
438L92.9Very high92.2Very high9 Ų913.5 Ų13.55%0.0477%0.074CC..Hα-helixtrans-67.6-38.6176.6-72.9-177.6000112H435 R441 W458 T461 E498 L706H435-L438 HydrophobicContact CB-CB 4.15Å; H435-L438 HydrophobicContact CB-CD1 4Å; H435-L438 HydrophobicContact CB-CG 4.2Å; H435-L438 PolarHBondContact O-N 2.95Å; H435-L438 VanDerWaalsContact O-N 3.11Å; L438-R441 PolarHBondContact O-N 3.37Å; L438-W458 HydrophobicContact CB-CB 4.19Å; L438-T461 HydrophobicContact CD1-CG2 4.02Å; L438-E498 VanDerWaalsContact CD2-OE2 3.31Å; L438-E498 WeakPolarHBondContact CD2-OE2 3.09Å; L438-L706 HydrophobicContact CD1-CD1 4.2Å
439F95Very high92.2Very high0 Ų013.6 Ų13.60%08%0.075CC..Hα-helixtrans-57.8-54.4174.7-178.4-108.9000111M433 H435 P436 R441 I442 W458 I525 M550 L552 L577M433-F439 HydrophobicContact CE-CB 4.48Å; M433-F439 HydrophobicContact CE-CD1 4.04Å; M433-F439 HydrophobicContact CE-CD2 3.92Å; M433-F439 HydrophobicContact CE-CE1 4.17Å; M433-F439 HydrophobicContact CE-CE2 4.05Å; M433-F439 HydrophobicContact CE-CG 3.89Å; M433-F439 HydrophobicContact CE-CZ 4.16Å; M433-F439 HydrophobicContact SD-CB 3.85Å; M433-F439 HydrophobicContact SD-CD1 4.21Å; M433-F439 HydrophobicContact SD-CD2 4.36Å; M433-F439 HydrophobicContact SD-CG 3.9Å; H435-F439 PolarHBondContact O-N 2.83Å; P436-F439 WeakPolarHBondContact O-CB 3.33Å; P436-F439 PolarHBondContact O-N 2.85Å; F439-R441 PolarHBondContact O-N 3.13Å; F439-I442 HydrophobicContact CD2-CD1 4.25Å; F439-I442 WeakPolarHBondContact O-CB 3.38Å; F439-I442 WeakPolarHBondContact O-CD1 3.35Å; F439-I442 VanDerWaalsContact O-CG1 3.29Å; F439-I442 WeakPolarHBondContact O-CG1 3.1Å; F439-I442 PolarHBondContact O-N 3.3Å; F439-W458 HydrophobicContact CB-CD2 4.49Å; F439-W458 HydrophobicContact CB-CG 4.29Å; F439-W458 AromaticContact CD2-CD2 3.88Å; F439-W458 HydrophobicContact CD2-CD2 3.88Å; F439-W458 AromaticContact CD2-CE2 3.49Å; F439-W458 VanDerWaalsContact CD2-CE2 3.49Å; F439-W458 HydrophobicContact CD2-CE3 4.29Å; F439-W458 HydrophobicContact CD2-CG 4.48Å; F439-W458 HydrophobicContact CD2-CH2 4.03Å; F439-W458 AromaticContact CD2-CZ2 3.56Å; F439-W458 HydrophobicContact CD2-CZ2 3.56Å; F439-W458 HydrophobicContact CD2-CZ3 4.36Å; F439-W458 AromaticContact CD2-NE1 3.87Å; F439-W458 HydrophobicContact CE2-CH2 4.13Å; F439-W458 HydrophobicContact CE2-CZ2 4.02Å; F439-W458 HydrophobicContact CG-CZ2 4.48Å; F439-I525 HydrophobicContact CD1-CD1 3.86Å; F439-I525 HydrophobicContact CE1-CD1 4.48Å; F439-M550 HydrophobicContact CD1-CE 4.01Å; F439-M550 HydrophobicContact CD1-SD 4.45Å; F439-M550 HydrophobicContact CD2-CE 4.12Å; F439-M550 HydrophobicContact CE1-CB 4.24Å; F439-M550 HydrophobicContact CE1-CE 3.76Å; F439-M550 HydrophobicContact CE1-SD 4.27Å; F439-M550 HydrophobicContact CE2-CE 3.88Å; F439-M550 HydrophobicContact CG-CE 4.21Å; F439-M550 HydrophobicContact CZ-CB 4.37Å; F439-M550 HydrophobicContact CZ-CE 3.7Å; F439-M550 VanDerWaalsContact O-CE 3.27Å; F439-M550 WeakPolarHBondContact O-CE 3.29Å; F439-L552 HydrophobicContact CE2-CB 4.37Å; F439-L552 HydrophobicContact CE2-CD2 4.33Å; F439-L552 HydrophobicContact CZ-CB 4.22Å; F439-L577 HydrophobicContact CE2-CD1 3.75Å; F439-L577 HydrophobicContact CE2-CD2 4.36Å; F439-L577 HydrophobicContact CZ-CD1 3.79Å
440C93Very high92.1Very high0 Ų013.9 Ų13.90%08%0.076CC..Hα-helixtrans-61.1-29.6-178.4-69.70000113.4P436 I442 T443 K548P436-C440 PolarHBondContact O-N 3.09Å; P436-C440 PolarHBondContact O-SG 3.21Å; P436-C440 VanDerWaalsContact O-SG 3.32Å; C440-I442 VanDerWaalsContact C-N 3.27Å; C440-I442 PolarHBondContact O-N 3.43Å; C440-T443 WeakPolarHBondContact O-CG2 3.31Å; C440-K548 HydrophobicContact CB-CG 4.48Å
441R91.4Very high92.2Very high10 Ų1014.3 Ų14.34%0.0388%0.078CC..Hα-helixtrans-71.9-16-179.9-77-178.673.1156.2-5.9114.6N437 L438 F439 T443 D444 Y445 I495 E498N437-R441 WeakPolarHBondContact O-CG 3.45Å; N437-R441 PolarHBondContact O-N 3.1Å; L438-R441 PolarHBondContact O-N 3.37Å; F439-R441 PolarHBondContact O-N 3.13Å; R441-T443 PolarHBondContact O-N 3.44Å; R441-D444 WeakPolarHBondContact CA-OD2 3.43Å; R441-D444 PolarHBondContact O-N 2.9Å; R441-Y445 WeakPolarHBondContact O-CD2 3.38Å; R441-Y445 VanDerWaalsContact O-CE2 3.32Å; R441-Y445 WeakPolarHBondContact O-CE2 3.4Å; R441-I495 WeakPolarHBondContact CD-O 3.29Å; R441-I495 HydrophobicContact CG-CG2 4.12Å; R441-I495 PolarHBondContact NH1-O 3.42Å; R441-E498 PolarHBondContact NH1-O 3.22Å
442I94.4Very high92.4Very high0 Ų012.8 Ų12.80%07%0.069CC..G310 helixtrans-55.6-42.9179.6-63.3167.6000110.1F439 C440 D444 R451 A454 F455 W458 M550 L577 L579F439-I442 HydrophobicContact CD2-CD1 4.25Å; F439-I442 WeakPolarHBondContact O-CB 3.38Å; F439-I442 WeakPolarHBondContact O-CD1 3.35Å; F439-I442 VanDerWaalsContact O-CG1 3.29Å; F439-I442 WeakPolarHBondContact O-CG1 3.1Å; F439-I442 PolarHBondContact O-N 3.3Å; C440-I442 VanDerWaalsContact C-N 3.27Å; C440-I442 PolarHBondContact O-N 3.43Å; I442-D444 VanDerWaalsContact C-N 3.29Å; I442-D444 PolarHBondContact O-N 3.11Å; I442-R451 HydrophobicContact CG2-CG 4.11Å; I442-R451 WeakPolarHBondContact O-CG 3.33Å; I442-A454 HydrophobicContact CG1-CB 4.38Å; I442-F455 HydrophobicContact CD1-CB 4.34Å; I442-F455 HydrophobicContact CD1-CD2 4.18Å; I442-F455 HydrophobicContact CG2-CB 4.32Å; I442-W458 HydrophobicContact CD1-CB 4.12Å; I442-W458 HydrophobicContact CD1-CD2 4.22Å; I442-W458 HydrophobicContact CD1-CE3 4.05Å; I442-W458 HydrophobicContact CD1-CG 4.25Å; I442-M550 HydrophobicContact CB-CE 4.22Å; I442-M550 HydrophobicContact CD1-CE 4.39Å; I442-L577 HydrophobicContact CD1-CD2 4.03Å; I442-L579 HydrophobicContact CG2-CD1 3.96Å; I442-L579 HydrophobicContact CG2-CD2 4.34Å
443T93Very high92.5Very high0 Ų011.8 Ų11.80%07%0.065CC..G310 helixtrans-76-13.5-178.7-160.90000113.8C440 R441 Y445 K548 M550 E581 H582C440-T443 WeakPolarHBondContact O-CG2 3.31Å; R441-T443 PolarHBondContact O-N 3.44Å; T443-Y445 VanDerWaalsContact C-N 3.25Å; T443-Y445 PolarHBondContact O-N 2.78Å; T443-K548 HydrophobicContact CG2-CB 3.93Å; T443-K548 HydrophobicContact CG2-CD 3.7Å; T443-K548 HydrophobicContact CG2-CG 4.18Å; T443-M550 HydrophobicContact CG2-CG 4.47Å; T443-M550 HydrophobicContact CG2-SD 4.07Å; T443-E581 WeakPolarHBondContact CB-OE2 3.21Å; T443-E581 WeakPolarHBondContact CG2-OE2 3.35Å; T443-E581 PolarHBondContact OG1-OE2 3.49Å; T443-H582 PolarHBondContact O-NE2 2.93Å; T443-H582 PolarHBondContact OG1-CD2 2.85Å; T443-H582 VanDerWaalsContact OG1-CD2 3.23Å; T443-H582 PolarHBondContact OG1-NE2 3.21Å
444D90.2Very high92.6Very high13 Ų1312 Ų127%0.077%0.068CC..G310 helixtrans-76.1-16.8-177.8-60.5-25.8000112.9R441 I442 M511 S512 K548R441-D444 WeakPolarHBondContact CA-OD2 3.43Å; R441-D444 PolarHBondContact O-N 2.9Å; I442-D444 VanDerWaalsContact C-N 3.29Å; I442-D444 PolarHBondContact O-N 3.11Å; D444-M511 HydrophobicContact CB-CE 3.26Å; D444-M511 WeakPolarHBondContact O-CA 3.42Å; D444-S512 PolarHBondContact O-N 3.43Å; D444-S512 PolarHBondContact O-OG 2.76Å; D444-K548 IonicContact OD1-NZ 3.32Å; D444-K548 PolarHBondContact OD1-NZ 3.19Å; D444-K548 IonicContact OD2-NZ 2.68Å
445Y90.1Very high93Very high2 Ų211.8 Ų11.81%0.0087%0.065CC..BIsolated β-bridgetrans-84123.7177.4-63.2-76.4000110.2R441 T443 W450 R451 A454 L501 C509 H582R441-Y445 WeakPolarHBondContact O-CD2 3.38Å; R441-Y445 VanDerWaalsContact O-CE2 3.32Å; R441-Y445 WeakPolarHBondContact O-CE2 3.4Å; T443-Y445 VanDerWaalsContact C-N 3.25Å; T443-Y445 PolarHBondContact O-N 2.78Å; Y445-W450 HydrophobicContact CD1-CB 3.81Å; Y445-W450 HydrophobicContact CG-CB 4.05Å; Y445-R451 PolarHBondContact O-NH1 3.19Å; Y445-A454 HydrophobicContact CD2-CB 3.63Å; Y445-A454 HydrophobicContact CE2-CB 3.5Å; Y445-L501 WeakPolarHBondContact OH-CB 3.49Å; Y445-L501 WeakPolarHBondContact OH-CD1 3.38Å; Y445-C509 VanDerWaalsContact CD1-SG 3.57Å; Y445-H582 PolarHBondContact O-CE1 2.83Å
446V90.7Very high93.3Very high67 Ų6711.7 Ų11.741%0.4067%0.065SC..  trans-77.1-36.9177177.60000111.6P448 R451 K510V446-P448 WeakPolarHBondContact O-CD 3.4Å; V446-R451 PolarHBondContact O-NH1 2.88Å; V446-R451 VanDerWaalsContact O-NH1 3.16Å; V446-K510 HydrophobicContact CB-CB 4.3Å; V446-K510 WeakPolarHBondContact CB-O 3.37Å; V446-K510 HydrophobicContact CG2-CB 4.37Å; V446-K510 WeakPolarHBondContact CG2-O 3.47Å; V446-K510 PolarHBondContact N-O 2.72Å
447D91.1Very high93.4Very high58 Ų5811.9 Ų11.931%0.317%0.066SC..SBendtrans-75.9122.9-179-175.3-9.2000111.3E449 W450 R451D447-E449 PolarHBondContact O-N 2.77Å; D447-E449 PolarHBondContact OD1-N 3.43Å; D447-W450 HydrophobicContact CB-CB 4.44Å; D447-W450 PolarHBondContact O-N 2.76Å; D447-W450 VanDerWaalsContact O-N 3.16Å; D447-R451 PolarHBondContact O-N 2.82Å
448P93.4Very high93.6Very high40 Ų4012.3 Ų12.326%0.267%0.068SC..Hα-helixtrans-51.6-34174.9-29.136000115.2V446 R451 M452 T618 Y620V446-P448 WeakPolarHBondContact O-CD 3.4Å; P448-R451 PolarHBondContact O-N 3.4Å; P448-M452 PolarHBondContact O-N 2.78Å; P448-T618 HydrophobicContact CB-CG2 3.79Å; P448-T618 HydrophobicContact CG-CG2 4.15Å; P448-Y620 HydrophobicContact CB-CD2 4.14Å; P448-Y620 HydrophobicContact CB-CE2 3.68Å
449E92.6Very high93.7Very high24 Ų2412 Ų1211%0.1127%0.066CC..Hα-helixtrans-60-52.3177.5177.9169.3133.900110.6D447 R451 M452 I453 Y620 I676 N693D447-E449 PolarHBondContact O-N 2.77Å; D447-E449 PolarHBondContact OD1-N 3.43Å; E449-R451 VanDerWaalsContact C-N 3.32Å; E449-R451 PolarHBondContact O-N 3.01Å; E449-M452 PolarHBondContact O-N 2.8Å; E449-I453 HydrophobicContact CG-CD1 4.05Å; E449-I453 WeakPolarHBondContact O-CG1 3.32Å; E449-I453 PolarHBondContact O-N 3.3Å; E449-Y620 HydrophobicContact CB-CE1 4.1Å; E449-Y620 HydrophobicContact CG-CE1 4.39Å; E449-I676 HydrophobicContact CG-CG2 3.75Å; E449-N693 PolarHBondContact OE1-ND2 3.07Å
450W92.3Very high93.7Very high6 Ų612 Ų122%0.0237%0.066CC..Hα-helixtrans-69.4-32.8-179.4-75.1104.2000112.4Y445 D447 I453 A454 L501 I504 N505 C509 W699Y445-W450 HydrophobicContact CD1-CB 3.81Å; Y445-W450 HydrophobicContact CG-CB 4.05Å; D447-W450 HydrophobicContact CB-CB 4.44Å; D447-W450 PolarHBondContact O-N 2.76Å; D447-W450 VanDerWaalsContact O-N 3.16Å; W450-I453 HydrophobicContact CE3-CD1 4.16Å; W450-I453 HydrophobicContact CE3-CG2 4.41Å; W450-I453 HydrophobicContact CZ3-CD1 4.37Å; W450-I453 HydrophobicContact CZ3-CG2 4.5Å; W450-I453 PolarHBondContact O-N 3.23Å; W450-A454 VanDerWaalsContact O-CB 3.28Å; W450-A454 WeakPolarHBondContact O-CB 3.37Å; W450-A454 PolarHBondContact O-N 2.8Å; W450-L501 HydrophobicContact CZ3-CD2 4.1Å; W450-I504 HydrophobicContact CH2-CG2 4.1Å; W450-N505 WeakPolarHBondContact CZ2-ND2 3.42Å; W450-C509 VanDerWaalsContact CG-SG 3.52Å; W450-W699 HydrophobicContact CZ3-CH2 4.27Å
451R94.9Very high93.7Very high10 Ų1012 Ų124%0.0387%0.066CC..Hα-helixtrans-62-45.6173.5-136.9-160.7-31.2-79.612.6111.8I442 Y445 V446 D447 P448 E449 A454 F455 L579 H582 E585 Y587I442-R451 HydrophobicContact CG2-CG 4.11Å; I442-R451 WeakPolarHBondContact O-CG 3.33Å; Y445-R451 PolarHBondContact O-NH1 3.19Å; V446-R451 PolarHBondContact O-NH1 2.88Å; V446-R451 VanDerWaalsContact O-NH1 3.16Å; D447-R451 PolarHBondContact O-N 2.82Å; P448-R451 PolarHBondContact O-N 3.4Å; E449-R451 VanDerWaalsContact C-N 3.32Å; E449-R451 PolarHBondContact O-N 3.01Å; R451-A454 PolarHBondContact O-N 2.76Å; R451-F455 WeakPolarHBondContact O-CB 3.14Å; R451-F455 PolarHBondContact O-N 3.46Å; R451-L579 HydrophobicContact CG-CD1 4.18Å; R451-H582 PolarHBondContact NH1-CE1 3.41Å; R451-H582 PolarHBondContact NH1-ND1 3.43Å; R451-E585 WeakPolarHBondContact CD-OE1 3.28Å; R451-E585 IonicContact CZ-OE1 4Å; R451-E585 IonicContact CZ-OE2 3.86Å; R451-E585 IonicContact NE-OE1 3.49Å; R451-E585 PolarHBondContact NE-OE1 3.19Å; R451-E585 IonicContact NE-OE2 3.43Å; R451-E585 PolarHBondContact NE-OE2 2.85Å; R451-E585 IonicContact NH2-OE1 2.79Å; R451-E585 IonicContact NH2-OE2 3.36Å; R451-E585 PolarHBondContact NH2-OE2 2.85Å; R451-Y587 WeakPolarHBondContact CB-OH 3.26Å
452M95.8Very high93.6Very high0 Ų011.8 Ų11.80%07%0.065CC..Hα-helixtrans-62.2-45.6174.3176.959.774.100111.8P448 E449 A454 F455 I456 Y587 V613 C615 Y620 I643P448-M452 PolarHBondContact O-N 2.78Å; E449-M452 PolarHBondContact O-N 2.8Å; M452-A454 PolarHBondContact O-N 3.42Å; M452-F455 WeakPolarHBondContact O-CB 3.42Å; M452-F455 PolarHBondContact O-N 3.05Å; M452-F455 HydrophobicContact SD-CD1 4.47Å; M452-I456 VanDerWaalsContact O-CG1 3.27Å; M452-I456 WeakPolarHBondContact O-CG1 3.29Å; M452-I456 PolarHBondContact O-N 3.32Å; M452-I456 HydrophobicContact SD-CD1 4.31Å; M452-I456 HydrophobicContact SD-CG1 4.04Å; M452-Y587 HydrophobicContact CB-CE1 4.42Å; M452-Y587 HydrophobicContact CE-CD1 3.91Å; M452-Y587 HydrophobicContact CE-CE1 3.62Å; M452-Y587 HydrophobicContact SD-CD1 4.23Å; M452-Y587 HydrophobicContact SD-CE1 3.9Å; M452-V613 HydrophobicContact CE-CG1 4.42Å; M452-V613 HydrophobicContact SD-CG1 4.21Å; M452-C615 HydrophobicContact CE-CB 3.75Å; M452-Y620 HydrophobicContact CB-CG 4.47Å; M452-I643 HydrophobicContact CG-CG2 3.8Å
453I95Very high93.3Very high0 Ų011.8 Ų11.80%07%0.065CC..Hα-helixtrans-60.2-45.6176.8-70165.4000111.1E449 W450 F455 I456 Q457 I643 V691 W699E449-I453 HydrophobicContact CG-CD1 4.05Å; E449-I453 WeakPolarHBondContact O-CG1 3.32Å; E449-I453 PolarHBondContact O-N 3.3Å; W450-I453 HydrophobicContact CE3-CD1 4.16Å; W450-I453 HydrophobicContact CE3-CG2 4.41Å; W450-I453 HydrophobicContact CZ3-CD1 4.37Å; W450-I453 HydrophobicContact CZ3-CG2 4.5Å; W450-I453 PolarHBondContact O-N 3.23Å; I453-F455 PolarHBondContact O-N 2.97Å; I453-I456 PolarHBondContact O-N 2.89Å; I453-Q457 WeakPolarHBondContact O-CB 3.4Å; I453-Q457 PolarHBondContact O-N 3.42Å; I453-I643 HydrophobicContact CG1-CD1 3.95Å; I453-V691 HydrophobicContact CD1-CG2 3.64Å; I453-W699 HydrophobicContact CG2-CH2 3.57Å; I453-W699 HydrophobicContact CG2-CZ2 3.64Å
454A94.9Very high92.6Very high7 Ų713.3 Ų13.36%0.0587%0.073CC..Hα-helixtrans-62.9-41.4178.300000111.9I442 Y445 W450 R451 M452 Q457 W458I442-A454 HydrophobicContact CG1-CB 4.38Å; Y445-A454 HydrophobicContact CD2-CB 3.63Å; Y445-A454 HydrophobicContact CE2-CB 3.5Å; W450-A454 VanDerWaalsContact O-CB 3.28Å; W450-A454 WeakPolarHBondContact O-CB 3.37Å; W450-A454 PolarHBondContact O-N 2.8Å; R451-A454 PolarHBondContact O-N 2.76Å; M452-A454 PolarHBondContact O-N 3.42Å; A454-Q457 PolarHBondContact O-N 3.32Å; A454-W458 PolarHBondContact O-N 3.06Å
455F97.1Very high91.3Very high0 Ų013.2 Ų13.20%07%0.073CC..Hα-helixtrans-58.2-49.4173.2171.4-93.3000111.6I442 R451 M452 I453 Q457 W458 Y459 L577 Y587 F589 V613I442-F455 HydrophobicContact CD1-CB 4.34Å; I442-F455 HydrophobicContact CD1-CD2 4.18Å; I442-F455 HydrophobicContact CG2-CB 4.32Å; R451-F455 WeakPolarHBondContact O-CB 3.14Å; R451-F455 PolarHBondContact O-N 3.46Å; M452-F455 WeakPolarHBondContact O-CB 3.42Å; M452-F455 PolarHBondContact O-N 3.05Å; M452-F455 HydrophobicContact SD-CD1 4.47Å; I453-F455 PolarHBondContact O-N 2.97Å; F455-Q457 VanDerWaalsContact C-N 3.32Å; F455-Q457 PolarHBondContact O-N 2.88Å; F455-W458 HydrophobicContact CD2-CE3 4.14Å; F455-W458 HydrophobicContact CD2-CZ3 4.26Å; F455-W458 HydrophobicContact CE2-CE3 4.09Å; F455-W458 AromaticContact CE2-CZ3 3.77Å; F455-W458 HydrophobicContact CE2-CZ3 3.77Å; F455-W458 HydrophobicContact CZ-CZ3 4.44Å; F455-W458 PolarHBondContact O-N 2.98Å; F455-Y459 VanDerWaalsContact O-CB 3.3Å; F455-Y459 WeakPolarHBondContact O-CB 3.42Å; F455-Y459 PolarHBondContact O-N 2.61Å; F455-L577 HydrophobicContact CD2-CD2 3.53Å; F455-L577 HydrophobicContact CE2-CB 4.28Å; F455-L577 HydrophobicContact CE2-CD2 3.75Å; F455-Y587 HydrophobicContact CB-CD1 4.13Å; F455-Y587 HydrophobicContact CB-CE1 3.97Å; F455-Y587 AromaticContact CD1-CD1 3.82Å; F455-Y587 HydrophobicContact CD1-CD1 3.82Å; F455-Y587 HydrophobicContact CD1-CE1 4.37Å; F455-Y587 HydrophobicContact CD2-CD1 4.07Å; F455-Y587 HydrophobicContact CD2-CG 4.18Å; F455-Y587 HydrophobicContact CE1-CD1 4.33Å; F455-Y587 HydrophobicContact CE2-CG 4.41Å; F455-Y587 AromaticContact CG-CD1 3.7Å; F455-Y587 HydrophobicContact CG-CD1 3.7Å; F455-Y587 HydrophobicContact CG-CE1 4.07Å; F455-Y587 HydrophobicContact CG-CG 4.28Å; F455-F589 HydrophobicContact CE2-CD1 4.14Å; F455-F589 AromaticContact CE2-CE1 3.85Å; F455-F589 HydrophobicContact CE2-CE1 3.85Å; F455-F589 HydrophobicContact CE2-CZ 4.14Å; F455-F589 HydrophobicContact CZ-CB 4.37Å; F455-F589 AromaticContact CZ-CD1 3.53Å; F455-F589 HydrophobicContact CZ-CD1 3.53Å; F455-F589 HydrophobicContact CZ-CD2 4.08Å; F455-F589 AromaticContact CZ-CE1 3.67Å; F455-F589 HydrophobicContact CZ-CE1 3.67Å; F455-F589 HydrophobicContact CZ-CE2 4.17Å; F455-F589 AromaticContact CZ-CG 3.76Å; F455-F589 HydrophobicContact CZ-CG 3.76Å; F455-F589 AromaticContact CZ-CZ 3.98Å; F455-F589 HydrophobicContact CZ-CZ 3.98Å; F455-V613 HydrophobicContact CD1-CG1 3.94Å; F455-V613 HydrophobicContact CE1-CB 4.4Å; F455-V613 HydrophobicContact CE1-CG1 3.42Å; F455-V613 VanDerWaalsContact CE1-CG1 3.42Å; F455-V613 HydrophobicContact CE1-CG2 4.08Å; F455-V613 HydrophobicContact CZ-CG1 4.3Å
456I97.2Very high89.7Confident0 Ų013.7 Ų13.70%08%0.078CC..Hα-helixtrans-64.4-38.6179.9-63.3-66.5000111.1M452 I453 Y459 L460 V613 A622 I624 I643 I679 F689M452-I456 VanDerWaalsContact O-CG1 3.27Å; M452-I456 WeakPolarHBondContact O-CG1 3.29Å; M452-I456 PolarHBondContact O-N 3.32Å; M452-I456 HydrophobicContact SD-CD1 4.31Å; M452-I456 HydrophobicContact SD-CG1 4.04Å; I453-I456 PolarHBondContact O-N 2.89Å; I456-Y459 PolarHBondContact O-N 2.81Å; I456-L460 HydrophobicContact CG2-CD1 3.85Å; I456-L460 HydrophobicContact CG2-CG 4.34Å; I456-L460 WeakPolarHBondContact O-CB 3.38Å; I456-L460 VanDerWaalsContact O-CG 3.31Å; I456-L460 WeakPolarHBondContact O-CG 3.21Å; I456-L460 PolarHBondContact O-N 2.93Å; I456-V613 HydrophobicContact CD1-CB 4.13Å; I456-V613 HydrophobicContact CD1-CG1 4.21Å; I456-V613 HydrophobicContact CD1-CG2 3.8Å; I456-A622 HydrophobicContact CD1-CB 3.64Å; I456-A622 HydrophobicContact CG1-CB 4.22Å; I456-I624 HydrophobicContact CD1-CD1 3.97Å; I456-I624 HydrophobicContact CG2-CD1 4.2Å; I456-I643 HydrophobicContact CB-CD1 4.36Å; I456-I643 HydrophobicContact CG1-CD1 4.04Å; I456-I643 HydrophobicContact CG1-CG1 4.44Å; I456-I679 HydrophobicContact CG2-CD1 4.03Å; I456-I679 HydrophobicContact CG2-CG1 4.29Å; I456-F689 HydrophobicContact CG2-CE1 4.21Å
457Q95.2Very high88.3Confident4 Ų413.1 Ų13.12%0.0197%0.071CC..Hα-helixtrans-60.6-53.5174.4-177.9172.8-5500111.5I453 A454 F455 Y459 L460 T461 F689 V701I453-Q457 WeakPolarHBondContact O-CB 3.4Å; I453-Q457 PolarHBondContact O-N 3.42Å; A454-Q457 PolarHBondContact O-N 3.32Å; F455-Q457 VanDerWaalsContact C-N 3.32Å; F455-Q457 PolarHBondContact O-N 2.88Å; Q457-Y459 PolarHBondContact O-N 3.2Å; Q457-L460 PolarHBondContact O-N 3Å; Q457-T461 VanDerWaalsContact O-CG2 3.27Å; Q457-T461 WeakPolarHBondContact O-CG2 3.36Å; Q457-T461 PolarHBondContact O-N 2.95Å; Q457-F689 HydrophobicContact CB-CE1 4.31Å; Q457-F689 HydrophobicContact CB-CE2 4.4Å; Q457-F689 HydrophobicContact CB-CZ 3.84Å; Q457-F689 HydrophobicContact CG-CE2 4.25Å; Q457-F689 HydrophobicContact CG-CZ 4.16Å; Q457-V701 HydrophobicContact CG-CG2 4.14Å
458W94.7Very high86.4Confident9 Ų915.6 Ų15.63%0.0348%0.084CC..Hα-helixtrans-55.2-52.4175.6164.473.3000110.9M433 L438 F439 I442 A454 F455 L460 T461 T462 L552 F589M433-W458 HydrophobicContact CE-CZ2 3.97Å; M433-W458 HydrophobicContact SD-CZ2 4.42Å; L438-W458 HydrophobicContact CB-CB 4.19Å; F439-W458 HydrophobicContact CB-CD2 4.49Å; F439-W458 HydrophobicContact CB-CG 4.29Å; F439-W458 AromaticContact CD2-CD2 3.88Å; F439-W458 HydrophobicContact CD2-CD2 3.88Å; F439-W458 AromaticContact CD2-CE2 3.49Å; F439-W458 VanDerWaalsContact CD2-CE2 3.49Å; F439-W458 HydrophobicContact CD2-CE3 4.29Å; F439-W458 HydrophobicContact CD2-CG 4.48Å; F439-W458 HydrophobicContact CD2-CH2 4.03Å; F439-W458 AromaticContact CD2-CZ2 3.56Å; F439-W458 HydrophobicContact CD2-CZ2 3.56Å; F439-W458 HydrophobicContact CD2-CZ3 4.36Å; F439-W458 AromaticContact CD2-NE1 3.87Å; F439-W458 HydrophobicContact CE2-CH2 4.13Å; F439-W458 HydrophobicContact CE2-CZ2 4.02Å; F439-W458 HydrophobicContact CG-CZ2 4.48Å; I442-W458 HydrophobicContact CD1-CB 4.12Å; I442-W458 HydrophobicContact CD1-CD2 4.22Å; I442-W458 HydrophobicContact CD1-CE3 4.05Å; I442-W458 HydrophobicContact CD1-CG 4.25Å; A454-W458 PolarHBondContact O-N 3.06Å; F455-W458 HydrophobicContact CD2-CE3 4.14Å; F455-W458 HydrophobicContact CD2-CZ3 4.26Å; F455-W458 HydrophobicContact CE2-CE3 4.09Å; F455-W458 AromaticContact CE2-CZ3 3.77Å; F455-W458 HydrophobicContact CE2-CZ3 3.77Å; F455-W458 HydrophobicContact CZ-CZ3 4.44Å; F455-W458 PolarHBondContact O-N 2.98Å; W458-L460 VanDerWaalsContact C-N 3.34Å; W458-L460 PolarHBondContact O-N 3.02Å; W458-T461 PolarHBondContact O-N 2.85Å; W458-T461 VanDerWaalsContact O-N 3.08Å; W458-T461 PolarHBondContact O-OG1 3.26Å; W458-T462 HydrophobicContact CD2-CG2 4.41Å; W458-T462 HydrophobicContact CZ2-CG2 4.09Å; W458-T462 WeakPolarHBondContact O-CG2 3.28Å; W458-T462 PolarHBondContact O-N 3.29Å; W458-L552 HydrophobicContact CH2-CD2 3.64Å; W458-L552 HydrophobicContact CZ2-CD2 4.23Å; W458-F589 HydrophobicContact CH2-CZ 4.47Å; W458-F589 HydrophobicContact CZ3-CZ 4.28Å
459Y95.8Very high84.5Confident2 Ų218.6 Ų18.61%0.00810%0.097CC..Hα-helixtrans-52-48.9-178.2174.1-101.7000112.5F455 I456 Q457 T461 T462 F463 F589 S590 L591 V611 I624 F626F455-Y459 VanDerWaalsContact O-CB 3.3Å; F455-Y459 WeakPolarHBondContact O-CB 3.42Å; F455-Y459 PolarHBondContact O-N 2.61Å; I456-Y459 PolarHBondContact O-N 2.81Å; Q457-Y459 PolarHBondContact O-N 3.2Å; Y459-T461 VanDerWaalsContact C-N 3.34Å; Y459-T461 PolarHBondContact O-N 2.92Å; Y459-T462 WeakPolarHBondContact O-CB 3.15Å; Y459-T462 PolarHBondContact O-N 3.25Å; Y459-T462 PolarHBondContact O-OG1 3.39Å; Y459-F463 HydrophobicContact CD1-CE2 4.07Å; Y459-F463 AromaticContact CE1-CE2 3.67Å; Y459-F463 HydrophobicContact CE1-CE2 3.67Å; Y459-F463 AromaticContact CE1-CZ 3.92Å; Y459-F463 HydrophobicContact CE1-CZ 3.92Å; Y459-F463 HydrophobicContact CE2-CE2 4.23Å; Y459-F463 AromaticContact CE2-CZ 3.85Å; Y459-F463 HydrophobicContact CE2-CZ 3.85Å; Y459-F463 HydrophobicContact CG-CE2 4.49Å; Y459-F463 AromaticContact CZ-CE2 3.78Å; Y459-F463 AromaticContact CZ-CZ 3.51Å; Y459-F463 VanDerWaalsContact O-CE2 3.3Å; Y459-F463 WeakPolarHBondContact O-CE2 3.23Å; Y459-F589 AromaticContact CD2-CD2 3.81Å; Y459-F589 HydrophobicContact CD2-CD2 3.81Å; Y459-F589 AromaticContact CD2-CE2 3.78Å; Y459-F589 HydrophobicContact CD2-CE2 3.78Å; Y459-F589 AromaticContact CE2-CD2 3.57Å; Y459-F589 HydrophobicContact CE2-CD2 3.57Å; Y459-F589 AromaticContact CE2-CE2 3.82Å; Y459-F589 HydrophobicContact CE2-CE2 3.82Å; Y459-S590 PolarHBondContact OH-O 2.78Å; Y459-L591 HydrophobicContact CE2-CD2 4.33Å; Y459-V611 WeakPolarHBondContact OH-CG1 3.3Å; Y459-I624 HydrophobicContact CD1-CD1 3.82Å; Y459-I624 HydrophobicContact CE1-CD1 3.8Å; Y459-F626 HydrophobicContact CE1-CZ 4.44Å
460L95.1Very high82.7Confident0 Ų022.1 Ų22.10%012%0.121CC..Hα-helixtrans-70-28.1-177.8-68.7172.9000113.6I456 Q457 W458 T462 I624 F626 I639 I679 I687 F689I456-L460 HydrophobicContact CG2-CD1 3.85Å; I456-L460 HydrophobicContact CG2-CG 4.34Å; I456-L460 WeakPolarHBondContact O-CB 3.38Å; I456-L460 VanDerWaalsContact O-CG 3.31Å; I456-L460 WeakPolarHBondContact O-CG 3.21Å; I456-L460 PolarHBondContact O-N 2.93Å; Q457-L460 PolarHBondContact O-N 3Å; W458-L460 VanDerWaalsContact C-N 3.34Å; W458-L460 PolarHBondContact O-N 3.02Å; L460-T462 VanDerWaalsContact C-N 3.29Å; L460-T462 PolarHBondContact O-N 3.45Å; L460-I624 HydrophobicContact CD2-CD1 4.07Å; L460-I624 HydrophobicContact CD2-CG2 3.97Å; L460-I624 HydrophobicContact CG-CD1 4.42Å; L460-F626 HydrophobicContact CD2-CZ 4.05Å; L460-I639 HydrophobicContact CD1-CD1 3.9Å; L460-I639 HydrophobicContact CD2-CD1 3.87Å; L460-I639 HydrophobicContact CG-CD1 4.37Å; L460-I679 HydrophobicContact CD1-CG2 3.7Å; L460-I687 HydrophobicContact CB-CD1 3.72Å; L460-I687 HydrophobicContact CD1-CG2 4.09Å; L460-F689 HydrophobicContact CD1-CZ 4.26Å
461T92.2Very high81.5Confident0 Ų023.7 Ų23.70%013%0.129CC..Hα-helixtrans-72.7-21.8176.7630000113H435 L438 Q457 W458 Y459 F463 V701 V703 L706H435-T461 PolarHBondContact CD2-OG1 2.72Å; L438-T461 HydrophobicContact CD1-CG2 4.02Å; Q457-T461 VanDerWaalsContact O-CG2 3.27Å; Q457-T461 WeakPolarHBondContact O-CG2 3.36Å; Q457-T461 PolarHBondContact O-N 2.95Å; W458-T461 PolarHBondContact O-N 2.85Å; W458-T461 VanDerWaalsContact O-N 3.08Å; W458-T461 PolarHBondContact O-OG1 3.26Å; Y459-T461 VanDerWaalsContact C-N 3.34Å; Y459-T461 PolarHBondContact O-N 2.92Å; T461-F463 VanDerWaalsContact C-N 3.26Å; T461-F463 PolarHBondContact O-N 2.88Å; T461-V701 HydrophobicContact CG2-CG1 4.09Å; T461-V703 HydrophobicContact CG2-CG1 4.29Å; T461-L706 HydrophobicContact CG2-CD1 3.56Å
462T88.9Confident80.6Confident5 Ų525 Ų253%0.03114%0.138CC..Hα-helixtrans-63.9-26.5-177.468.30000114.1Y432 W458 Y459 L460 G466Y432-T462 WeakPolarHBondContact O-CB 3.25Å; Y432-T462 WeakPolarHBondContact O-CG2 3.43Å; W458-T462 HydrophobicContact CD2-CG2 4.41Å; W458-T462 HydrophobicContact CZ2-CG2 4.09Å; W458-T462 WeakPolarHBondContact O-CG2 3.28Å; W458-T462 PolarHBondContact O-N 3.29Å; Y459-T462 WeakPolarHBondContact O-CB 3.15Å; Y459-T462 PolarHBondContact O-N 3.25Å; Y459-T462 PolarHBondContact O-OG1 3.39Å; L460-T462 VanDerWaalsContact C-N 3.29Å; L460-T462 PolarHBondContact O-N 3.45Å; T462-G466 PolarHBondContact O-N 3.07Å
463F88.2Confident80.1Confident0 Ų029.1 Ų29.10%016%0.156CC..Hα-helixtrans-77.2-28.7-171.8-63-67.2000114.2Y432 Y459 T461 L591 P592 F607 F626 W683Y432-F463 HydrophobicContact CE1-CD1 4.05Å; Y432-F463 HydrophobicContact CE1-CE1 4.32Å; Y459-F463 HydrophobicContact CD1-CE2 4.07Å; Y459-F463 AromaticContact CE1-CE2 3.67Å; Y459-F463 HydrophobicContact CE1-CE2 3.67Å; Y459-F463 AromaticContact CE1-CZ 3.92Å; Y459-F463 HydrophobicContact CE1-CZ 3.92Å; Y459-F463 HydrophobicContact CE2-CE2 4.23Å; Y459-F463 AromaticContact CE2-CZ 3.85Å; Y459-F463 HydrophobicContact CE2-CZ 3.85Å; Y459-F463 HydrophobicContact CG-CE2 4.49Å; Y459-F463 AromaticContact CZ-CE2 3.78Å; Y459-F463 AromaticContact CZ-CZ 3.51Å; Y459-F463 VanDerWaalsContact O-CE2 3.3Å; Y459-F463 WeakPolarHBondContact O-CE2 3.23Å; T461-F463 VanDerWaalsContact C-N 3.26Å; T461-F463 PolarHBondContact O-N 2.88Å; F463-L591 HydrophobicContact CE1-CD2 4.37Å; F463-L591 HydrophobicContact CZ-CD2 4.46Å; F463-P592 HydrophobicContact CD1-CG 4.32Å; F463-P592 HydrophobicContact CE1-CG 3.64Å; F463-P592 HydrophobicContact CZ-CG 3.88Å; F463-F607 HydrophobicContact CB-CD2 4.25Å; F463-F607 HydrophobicContact CB-CE2 3.83Å; F463-F607 HydrophobicContact CD1-CD2 4.21Å; F463-F607 HydrophobicContact CD1-CE1 4.29Å; F463-F607 AromaticContact CD1-CE2 3.75Å; F463-F607 HydrophobicContact CD1-CE2 3.75Å; F463-F607 AromaticContact CD1-CZ 3.78Å; F463-F607 HydrophobicContact CD1-CZ 3.78Å; F463-F607 HydrophobicContact CG-CD2 4.42Å; F463-F607 HydrophobicContact CG-CE2 4.14Å; F463-F626 HydrophobicContact CD2-CE1 4.01Å; F463-F626 AromaticContact CD2-CZ 3.9Å; F463-F626 HydrophobicContact CD2-CZ 3.9Å; F463-F626 HydrophobicContact CE2-CE1 4.13Å; F463-F626 AromaticContact CE2-CZ 3.55Å; F463-F626 HydrophobicContact CE2-CZ 3.55Å; F463-F626 HydrophobicContact CG-CE1 4.45Å; F463-F626 HydrophobicContact CZ-CZ 4.02Å; F463-W683 HydrophobicContact CB-CD2 4.23Å; F463-W683 HydrophobicContact CB-CE3 3.69Å; F463-W683 HydrophobicContact CB-CZ3 4.2Å; F463-W683 VanDerWaalsContact O-CZ3 3.27Å; F463-W683 WeakPolarHBondContact O-CZ3 3.25Å
464H79.9Confident79.7Confident33 Ų3333 Ų3315%0.15317%0.173CC..Hα-helixtrans-64.9-49.5177.1176.259.8000111.2G466 H467 V703 N704H464-G466 PolarHBondContact O-N 2.91Å; H464-H467 CarbonylContact O-C 3.49Å; H464-H467 PolarHBondContact O-N 3.31Å; H464-V703 HydrophobicContact CB-CB 4.26Å; H464-V703 HydrophobicContact CB-CG2 3.77Å; H464-N704 PolarHBondContact CD2-OD1 3.18Å; H464-N704 PolarHBondContact CE1-OD1 2.77Å; H464-N704 PolarHBondContact ND1-OD1 2.96Å; H464-N704 PolarHBondContact NE2-OD1 2.8Å
465S62.8Low79.6Confident11 Ų1133.7 Ų33.78%0.07718%0.177CC..Hα-helixtrans-76.3-24.4-170.7-52.90000113.5A434 H435 H467A434-S465 VanDerWaalsContact CB-OG 3.32Å; A434-S465 WeakPolarHBondContact CB-OG 3.33Å; H435-S465 PolarHBondContact NE2-OG 2.8Å; S465-H467 PolarHBondContact O-N 3.28Å
466G56.7Low79.4Confident11 Ų1133.9 Ų33.911%0.11318%0.178CC..THydrogen-bonded Turntrans-65.7-13.8171.500000114.2T462 H464T462-G466 PolarHBondContact O-N 3.07Å; H464-G466 PolarHBondContact O-N 2.91Å
467H59.7Low79.1Confident55 Ų5536.8 Ų36.826%0.25519%0.193SC..THydrogen-bonded Turntrans-136.743-174.8-63.5-64.4000112.7H464 S465 D469 F607H464-H467 CarbonylContact O-C 3.49Å; H464-H467 PolarHBondContact O-N 3.31Å; S465-H467 PolarHBondContact O-N 3.28Å; H467-D469 PolarHBondContact O-N 2.86Å; H467-F607 AromaticContact CD2-CE2 3.71Å; H467-F607 AromaticContact CD2-CZ 3.6Å; H467-F607 AromaticContact NE2-CE2 3.9Å; H467-F607 AromaticContact NE2-CZ 3.28Å; H467-F607 VanDerWaalsContact NE2-CZ 3.28Å; H467-F607 WeakPolarHBondContact NE2-CZ 3.23Å
468L52Low79.1Confident110 Ų11036.6 Ų36.658%0.57619%0.192SC*.  trans-58.7-28.5172.5-72.5163.9000112.2T470L468-T470 PolarHBondContact O-N 2.96Å
469D54Low78.9Confident103 Ų10337 Ų3755%0.55120%0.195SC*.SBendtrans-70.8119.3171.8-66.6-32000110.5H467 I471H467-D469 PolarHBondContact O-N 2.86Å; D469-I471 PolarHBondContact O-N 3.4Å; D469-I471 VanDerWaalsContact O-N 3.12Å
470T54.9Low78.7Confident98 Ų9838.2 Ų38.260%0.60120%0.201SC*.SBendtrans-60.4-20.7175.4520000113.4L468L468-T470 PolarHBondContact O-N 2.96Å
471I66.7Low78.4Confident39 Ų3938.3 Ų38.320%0.220%0.203CC..SBendtrans-111.7123.5-178.2-56.3-171000110Y383 D469 K473 V602 P603Y383-I471 HydrophobicContact CE1-CD1 4.12Å; Y383-I471 HydrophobicContact CE2-CD1 3.98Å; Y383-I471 VanDerWaalsContact CZ-CD1 3.44Å; Y383-I471 WeakPolarHBondContact OH-CD1 3.31Å; D469-I471 PolarHBondContact O-N 3.4Å; D469-I471 VanDerWaalsContact O-N 3.12Å; I471-K473 PolarHBondContact O-N 3.33Å; I471-V602 HydrophobicContact CD1-CG1 4.14Å; I471-V602 HydrophobicContact CG1-CG1 3.87Å; I471-P603 HydrophobicContact CG2-CG 4.04Å
472V75.8Confident78.6Confident38 Ų3838.3 Ų38.323%0.2320%0.203CC..  trans-69.8121.1177.5-170.40000110.5A596 P603 V605V472-A596 HydrophobicContact CG1-CB 4.48Å; V472-P603 HydrophobicContact CB-CB 4.21Å; V472-P603 HydrophobicContact CB-CG 4.47Å; V472-P603 PolarHBondContact N-O 3.01Å; V472-P603 VanDerWaalsContact N-O 3.13Å; V472-V605 HydrophobicContact CB-CG2 4.16Å; V472-V605 HydrophobicContact CG1-CG2 3.77Å; V472-V605 HydrophobicContact CG2-CB 4.14Å; V472-V605 HydrophobicContact CG2-CG2 3.29Å
473K85.6Confident79Confident87 Ų8738.1 Ų38.138%0.37820%0.201SC..  trans-113.6149.1167.3-69.2179.1171.9-176.40110I419 A421 I471I419-K473 CarbonylContact O-C 3.55Å; I419-K473 WeakPolarHBondContact O-CA 3.47Å; A421-K473 HydrophobicContact CB-CB 3.78Å; I471-K473 PolarHBondContact O-N 3.33Å
474K87.2Confident79.4Confident80 Ų8038.3 Ų38.335%0.34820%0.202SC..EExtended strand (participates in β ladder)trans-86.6123.1-179.9-178.1-171.1172.9-174.70109.8F415 I419 L420 A421F415-K474 HydrophobicContact CD2-CD 4.01Å; F415-K474 VanDerWaalsContact CD2-NZ 3.31Å; F415-K474 HydrophobicContact CG-CD 4.34Å; I419-K474 PolarHBondContact O-N 3.39Å; L420-K474 CarbonylContact C-O 3.49Å; L420-K474 VanDerWaalsContact CA-O 3.24Å; L420-K474 WeakPolarHBondContact CA-O 3.45Å; L420-K474 HydrophobicContact CD2-CB 4.27Å; L420-K474 HydrophobicContact CD2-CD 4.34Å; L420-K474 HydrophobicContact CD2-CG 4.49Å; A421-K474 PolarHBondContact N-O 2.7Å
475P91.9Very high80.2Confident22 Ų2237.7 Ų37.714%0.14320%0.199CC..EExtended strand (participates in β ladder)trans-62.7159.1174.328.5-36000111.9Y423 L425 M428 N477Y423-P475 HydrophobicContact CD2-CB 4.05Å; Y423-P475 HydrophobicContact CE2-CB 3.97Å; Y423-P475 WeakPolarHBondContact O-CA 3.22Å; L425-P475 HydrophobicContact CB-CG 4.48Å; L425-P475 HydrophobicContact CD1-CG 3.8Å; M428-P475 HydrophobicContact SD-CG 3.9Å; P475-N477 PolarHBondContact O-N 2.9Å
476Y93.4Very high81.8Confident4 Ų437.7 Ų37.72%0.01620%0.199CC..EExtended strand (participates in β ladder)trans-60.3136.3171.4-49.2-49.2000110L420 A421 Y423 L425 P478 W728 V731 T732 L735L420-Y476 HydrophobicContact CB-CD1 4.43Å; L420-Y476 HydrophobicContact CB-CE1 4.12Å; L420-Y476 HydrophobicContact CD1-CD1 4.16Å; L420-Y476 HydrophobicContact CD1-CE1 4.1Å; A421-Y476 WeakPolarHBondContact O-CE1 3.37Å; A421-Y476 VanDerWaalsContact O-CZ 3.26Å; Y423-Y476 VanDerWaalsContact C-CD2 3.47Å; Y423-Y476 WeakPolarHBondContact O-CD2 3.2Å; Y423-Y476 PolarHBondContact O-N 3.18Å; L425-Y476 PolarHBondContact N-O 3.16Å; Y476-P478 VanDerWaalsContact O-CD 3.24Å; Y476-P478 WeakPolarHBondContact O-CD 3.45Å; Y476-W728 HydrophobicContact CD1-CE3 4.2Å; Y476-W728 HydrophobicContact CD1-CZ3 4.43Å; Y476-W728 HydrophobicContact CD2-CB 3.8Å; Y476-W728 AromaticContact CD2-CD1 3.92Å; Y476-W728 AromaticContact CD2-CD2 3.61Å; Y476-W728 HydrophobicContact CD2-CD2 3.61Å; Y476-W728 HydrophobicContact CD2-CE3 4.01Å; Y476-W728 AromaticContact CD2-CG 3.5Å; Y476-W728 HydrophobicContact CD2-CG 3.5Å; Y476-W728 VanDerWaalsContact CD2-CG 3.5Å; Y476-W728 HydrophobicContact CE2-CB 3.67Å; Y476-W728 HydrophobicContact CE2-CD2 4.21Å; Y476-W728 HydrophobicContact CE2-CE3 4.39Å; Y476-W728 AromaticContact CE2-CG 3.91Å; Y476-W728 HydrophobicContact CE2-CG 3.91Å; Y476-W728 AromaticContact CG-CD2 3.8Å; Y476-W728 HydrophobicContact CG-CD2 3.8Å; Y476-W728 AromaticContact CG-CE3 3.9Å; Y476-W728 HydrophobicContact CG-CE3 3.9Å; Y476-W728 HydrophobicContact CG-CG 4.19Å; Y476-W728 HydrophobicContact CG-CZ3 4.33Å; Y476-V731 HydrophobicContact CE1-CG1 3.8Å; Y476-T732 WeakPolarHBondContact CE2-OG1 3.2Å; Y476-T732 WeakPolarHBondContact OH-CA 3.37Å; Y476-T732 PolarHBondContact OH-N 3.4Å; Y476-T732 PolarHBondContact OH-OG1 3.41Å; Y476-L735 HydrophobicContact CE1-CD1 3.97Å; Y476-L735 VanDerWaalsContact OH-CD1 3.25Å; Y476-L735 WeakPolarHBondContact OH-CD1 3.47Å
477N91Very high83.7Confident61 Ų6137.3 Ų37.333%0.32620%0.195SC..  trans-75.8112.8172.7-176.729.7000108P475P475-N477 PolarHBondContact O-N 2.9Å
478P94.2Very high85.4Confident0 Ų034.9 Ų34.90%018%0.184CC..PPolyproline II helixtrans-63.4145.3-171.8-21.333.4000112.2L425 L426 Y476 E482 Q531 H534L425-P478 HydrophobicContact CB-CG 3.63Å; L426-P478 HydrophobicContact CD1-CB 4.47Å; L426-P478 HydrophobicContact CD2-CB 4.28Å; L426-P478 HydrophobicContact CD2-CG 3.96Å; L426-P478 HydrophobicContact CG-CB 4.08Å; L426-P478 HydrophobicContact CG-CG 3.84Å; Y476-P478 VanDerWaalsContact O-CD 3.24Å; Y476-P478 WeakPolarHBondContact O-CD 3.45Å; P478-E482 WeakPolarHBondContact CA-OE2 3.46Å; P478-E482 HydrophobicContact CB-CB 4.14Å; P478-E482 HydrophobicContact CB-CG 4.38Å; P478-E482 WeakPolarHBondContact CB-OE2 3.31Å; P478-Q531 HydrophobicContact CB-CB 3.82Å; P478-Q531 HydrophobicContact CB-CG 3.8Å; P478-H534 PolarHBondContact O-ND1 2.88Å
479I91.9Very high87.3Confident19 Ų1931.9 Ų31.910%0.09717%0.168CC..PPolyproline II helixtrans-79.1157.417369.7172.8000110.3G481 E482 Q531 L727 W728 L750 Q754I479-G481 PolarHBondContact O-N 2.94Å; I479-E482 HydrophobicContact CG1-CB 3.95Å; I479-E482 PolarHBondContact N-OE2 3.1Å; I479-E482 VanDerWaalsContact N-OE2 3.11Å; I479-E482 WeakPolarHBondContact O-CB 3.47Å; I479-E482 PolarHBondContact O-N 3.13Å; I479-Q531 WeakPolarHBondContact O-CB 3.27Å; I479-Q531 VanDerWaalsContact O-CG 3.31Å; I479-Q531 WeakPolarHBondContact O-CG 3.31Å; I479-L727 HydrophobicContact CD1-CD1 3.94Å; I479-L727 HydrophobicContact CD1-CD2 3.55Å; I479-L727 HydrophobicContact CD1-CG 4.33Å; I479-L727 HydrophobicContact CG1-CD2 3.66Å; I479-W728 HydrophobicContact CG2-CZ2 4.29Å; I479-L750 HydrophobicContact CD1-CD2 4.39Å; I479-L750 HydrophobicContact CG2-CD2 3.45Å; I479-L750 VanDerWaalsContact CG2-CD2 3.45Å; I479-Q754 VanDerWaalsContact CB-CD 3.5Å; I479-Q754 HydrophobicContact CB-CG 4.13Å; I479-Q754 HydrophobicContact CG2-CB 4.45Å; I479-Q754 HydrophobicContact CG2-CG 4.36Å
480I89.9Confident88.9Confident26 Ų2627 Ų2713%0.13314%0.142CC..THydrogen-bonded Turntrans-57.4128.2175.4-167.3166.3000110.8E482 H534 F768I480-E482 VanDerWaalsContact C-N 3.32Å; I480-H534 HydrophobicContact CB-CB 4.13Å; I480-F768 HydrophobicContact CD1-CB 3.62Å; I480-F768 HydrophobicContact CD1-CD1 4.27Å; I480-F768 HydrophobicContact CD1-CD2 3.97Å; I480-F768 HydrophobicContact CD1-CG 3.66Å; I480-F768 HydrophobicContact CG1-CB 4.18Å; I480-F768 HydrophobicContact CG1-CD1 3.88Å; I480-F768 HydrophobicContact CG1-CD2 3.85Å; I480-F768 HydrophobicContact CG1-CE1 4.31Å; I480-F768 HydrophobicContact CG1-CE2 4.24Å; I480-F768 HydrophobicContact CG1-CG 3.66Å; I480-F768 HydrophobicContact CG1-CZ 4.49Å; I480-F768 HydrophobicContact CG2-CD2 4.14Å; I480-F768 HydrophobicContact CG2-CE2 4.17Å
481G90.1Very high90.4Very high3 Ų324.2 Ų24.23%0.03113%0.125CC..THydrogen-bonded Turntrans80.71.9-177.100000116.5I479 Q531I479-G481 PolarHBondContact O-N 2.94Å; G481-Q531 PolarHBondContact N-O 2.88Å
482E96.2Very high90.9Very high0 Ų024.1 Ų24.10%013%0.127CC..  trans-60.1140.3168.8-172.6178.3140.600110S424 L426 P478 I479 I480 E530 Q531 E722 S724 L727 W728S424-E482 WeakPolarHBondContact CB-OE1 3.37Å; S424-E482 PolarHBondContact OG-OE1 3.45Å; S424-E482 VanDerWaalsContact OG-OE1 3.08Å; L426-E482 HydrophobicContact CD1-CB 4.08Å; L426-E482 HydrophobicContact CD1-CG 3.81Å; L426-E482 VanDerWaalsContact CD1-O 3.28Å; L426-E482 WeakPolarHBondContact CD1-O 3.48Å; P478-E482 WeakPolarHBondContact CA-OE2 3.46Å; P478-E482 HydrophobicContact CB-CB 4.14Å; P478-E482 HydrophobicContact CB-CG 4.38Å; P478-E482 WeakPolarHBondContact CB-OE2 3.31Å; I479-E482 HydrophobicContact CG1-CB 3.95Å; I479-E482 PolarHBondContact N-OE2 3.1Å; I479-E482 VanDerWaalsContact N-OE2 3.11Å; I479-E482 WeakPolarHBondContact O-CB 3.47Å; I479-E482 PolarHBondContact O-N 3.13Å; I480-E482 VanDerWaalsContact C-N 3.32Å; E482-E530 CarbonylContact O-C 3.47Å; E482-E530 WeakPolarHBondContact O-CA 3.33Å; E482-Q531 HydrophobicContact CB-CB 4.25Å; E482-Q531 PolarHBondContact O-N 3.44Å; E482-E722 WeakPolarHBondContact CA-O 3.13Å; E482-S724 WeakPolarHBondContact CG-OG 3.45Å; E482-S724 WeakPolarHBondContact OE1-CB 3.35Å; E482-S724 PolarHBondContact OE1-OG 3.35Å; E482-L727 HydrophobicContact CB-CD2 4.2Å; E482-L727 HydrophobicContact CG-CD2 3.72Å; E482-L727 WeakPolarHBondContact OE2-CD2 3.36Å; E482-W728 VanDerWaalsContact CD-NE1 3.31Å; E482-W728 PolarHBondContact OE1-NE1 3.2Å; E482-W728 PolarHBondContact OE2-NE1 3.21Å
483T97.1Very high91Very high0 Ų027.4 Ų27.40%014%0.143CC..EExtended strand (participates in β ladder)trans-127156.7-179.260.70000111.4A529 E530 E722 E723 S724 Y772T483-A529 CarbonylContact C-O 3.53Å; T483-A529 WeakPolarHBondContact CA-O 3.46Å; T483-E530 HydrophobicContact CG2-CB 4.35Å; T483-E530 HydrophobicContact CG2-CG 4.09Å; T483-E722 HydrophobicContact CG2-CG 4.31Å; T483-E722 PolarHBondContact N-O 2.79Å; T483-E722 VanDerWaalsContact N-O 3.07Å; T483-E723 CarbonylContact O-C 3.6Å; T483-E723 VanDerWaalsContact O-CA 3.26Å; T483-E723 WeakPolarHBondContact O-CA 3.36Å; T483-S724 PolarHBondContact O-N 2.95Å; T483-S724 PolarHBondContact O-OG 2.88Å; T483-Y772 HydrophobicContact CG2-CD2 3.99Å; T483-Y772 HydrophobicContact CG2-CE2 3.65Å
484F97.6Very high90.5Very high4 Ų426.4 Ų26.42%0.01814%0.14CC..EExtended strand (participates in β ladder)trans-144133.1171.8-173.5-97.9000110.7L426 E427 A430 C486 Y527 A529 I713 R725L426-F484 HydrophobicContact CB-CB 3.68Å; L426-F484 HydrophobicContact CD1-CB 4.27Å; E427-F484 HydrophobicContact CB-CD1 4.28Å; E427-F484 HydrophobicContact CB-CD2 3.98Å; E427-F484 HydrophobicContact CB-CE1 3.97Å; E427-F484 HydrophobicContact CB-CE2 3.65Å; E427-F484 HydrophobicContact CB-CG 4.26Å; E427-F484 HydrophobicContact CB-CZ 3.62Å; E427-F484 HydrophobicContact CG-CE1 3.99Å; E427-F484 HydrophobicContact CG-CE2 3.79Å; E427-F484 HydrophobicContact CG-CZ 3.41Å; E427-F484 VanDerWaalsContact CG-CZ 3.41Å; E427-F484 WeakPolarHBondContact OE2-CE2 3.46Å; A430-F484 HydrophobicContact CB-CD1 4.29Å; A430-F484 HydrophobicContact CB-CE1 3.81Å; F484-C486 HydrophobicContact CE1-CB 3.97Å; F484-C486 HydrophobicContact CZ-CB 4.45Å; F484-Y527 AromaticContact CD1-CD1 3.81Å; F484-Y527 HydrophobicContact CD1-CD1 3.81Å; F484-Y527 AromaticContact CD1-CE1 3.63Å; F484-Y527 HydrophobicContact CD1-CE1 3.63Å; F484-Y527 HydrophobicContact CE1-CD1 4.38Å; F484-Y527 HydrophobicContact CE1-CE1 4.39Å; F484-A529 HydrophobicContact CB-CB 4.48Å; F484-A529 PolarHBondContact N-O 3.26Å; F484-A529 PolarHBondContact O-N 3.25Å; F484-I713 HydrophobicContact CE2-CD1 4.28Å; F484-I713 HydrophobicContact CZ-CD1 3.66Å; F484-I713 HydrophobicContact CZ-CG1 4.29Å; F484-R725 HydrophobicContact CE2-CG 4.28Å
485H96Very high89.8Confident20 Ų2023.4 Ų23.49%0.09313%0.127CC..EExtended strand (participates in β ladder)trans-129.2135.2-178.9-50.698.7000110.5Y527 C528 E723 Y772H485-Y527 WeakPolarHBondContact CA-O 3.47Å; H485-C528 VanDerWaalsContact CD2-SG 3.53Å; H485-C528 PolarHBondContact NE2-SG 3.49Å; H485-C528 VanDerWaalsContact NE2-SG 3.39Å; H485-E723 IonicContact CE1-OE2 3.95Å; H485-E723 IonicContact CG-OE2 2.78Å; H485-E723 IonicContact ND1-OE2 3.92Å; H485-E723 PolarHBondContact ND1-OE2 3.33Å; H485-Y772 AromaticContact CE1-CE2 3.77Å; H485-Y772 AromaticContact CE1-CZ 3.79Å; H485-Y772 PolarHBondContact CE1-OH 3.5Å; H485-Y772 AromaticContact NE2-CE2 3.44Å; H485-Y772 WeakPolarHBondContact NE2-CE2 3.49Å; H485-Y772 AromaticContact NE2-CZ 3.43Å
486C96.3Very high88.5Confident11 Ų1128 Ų287%0.07415%0.151CC..EExtended strand (participates in β ladder)trans-156.1167.717266.20000111.1F484 W488 Y527 K711 H712 I713F484-C486 HydrophobicContact CE1-CB 3.97Å; F484-C486 HydrophobicContact CZ-CB 4.45Å; C486-W488 WeakPolarHBondContact SG-CH2 3.44Å; C486-W488 VanDerWaalsContact SG-CZ3 3.54Å; C486-Y527 PolarHBondContact N-O 3.17Å; C486-Y527 PolarHBondContact O-N 2.91Å; C486-K711 HydrophobicContact CB-CB 4.29Å; C486-H712 CarbonylContact C-O 3.55Å; C486-H712 WeakPolarHBondContact CA-O 3.35Å; C486-H712 VanDerWaalsContact CB-O 3.24Å; C486-H712 WeakPolarHBondContact CB-O 3.45Å; C486-I713 HydrophobicContact CB-CD1 4.42Å; C486-I713 HydrophobicContact CB-CG1 3.64Å
487S96.5Very high86.6Confident4 Ų431.8 Ų31.83%0.02818%0.178CC..EExtended strand (participates in β ladder)trans-134.1160.5176.450.40000111.5E354 I525 K711 H712E354-S487 PolarHBondContact OE1-OG 2.89Å; S487-I525 CarbonylContact C-O 3.45Å; S487-I525 WeakPolarHBondContact CA-O 3.22Å; S487-I525 WeakPolarHBondContact CB-O 3.47Å; S487-K711 CarbonylContact O-C 3.59Å; S487-K711 WeakPolarHBondContact O-CA 3.2Å; S487-H712 PolarHBondContact N-O 2.81Å; S487-H712 PolarHBondContact O-N 3.07Å
488W94.7Very high84.9Confident4 Ų430 Ų302%0.01517%0.168CC..EExtended strand (participates in β ladder)trans-126.2132.9167.3-68.1-101000108.3A430 M433 P436 C486 V524 I525 F543 F709 K711A430-W488 HydrophobicContact CB-CH2 3.98Å; A430-W488 HydrophobicContact CB-CZ2 4.49Å; A430-W488 WeakPolarHBondContact O-CH2 3.32Å; A430-W488 VanDerWaalsContact O-CZ2 3.26Å; A430-W488 WeakPolarHBondContact O-CZ2 3.26Å; M433-W488 HydrophobicContact CB-CD2 4.47Å; M433-W488 HydrophobicContact CB-CH2 3.86Å; M433-W488 HydrophobicContact CB-CZ2 3.71Å; M433-W488 HydrophobicContact CB-CZ3 4.3Å; M433-W488 HydrophobicContact CG-CD2 4.12Å; M433-W488 HydrophobicContact CG-CE3 4.2Å; M433-W488 HydrophobicContact CG-CH2 4.35Å; M433-W488 HydrophobicContact CG-CZ2 4.27Å; M433-W488 HydrophobicContact CG-CZ3 4.32Å; M433-W488 PolarHBondContact O-NE1 2.74Å; P436-W488 HydrophobicContact CB-CB 4.4Å; P436-W488 HydrophobicContact CG-CB 4.34Å; P436-W488 HydrophobicContact CG-CG 4.45Å; C486-W488 WeakPolarHBondContact SG-CH2 3.44Å; C486-W488 VanDerWaalsContact SG-CZ3 3.54Å; W488-V524 WeakPolarHBondContact O-CA 3.41Å; W488-I525 HydrophobicContact CB-CB 4.45Å; W488-I525 HydrophobicContact CE3-CB 4.49Å; W488-I525 HydrophobicContact CE3-CG2 4.43Å; W488-I525 PolarHBondContact N-O 2.84Å; W488-I525 PolarHBondContact O-N 3.12Å; W488-F543 HydrophobicContact CH2-CD1 4.44Å; W488-F543 AromaticContact CH2-CE1 3.7Å; W488-F543 HydrophobicContact CH2-CE1 3.7Å; W488-F543 HydrophobicContact CZ3-CD1 4.02Å; W488-F543 AromaticContact CZ3-CE1 3.73Å; W488-F543 HydrophobicContact CZ3-CE1 3.73Å; W488-F709 PolarHBondContact NE1-O 3.16Å; W488-K711 HydrophobicContact CD2-CB 4.3Å; W488-K711 HydrophobicContact CH2-CB 4.36Å; W488-K711 HydrophobicContact CZ2-CB 3.64Å; W488-K711 HydrophobicContact CZ2-CD 4.41Å
489I91.9Very high82.8Confident47 Ų4732.5 Ų32.524%0.24119%0.185CC..EExtended strand (participates in β ladder)trans-104.4114.9175.3-55.6178.5000106.8P491 P522I489-P491 WeakPolarHBondContact O-CD 3.48Å; I489-P522 HydrophobicContact CG2-CB 3.61Å; I489-P522 HydrophobicContact CG2-CG 4.17Å
490V88.6Confident80.8Confident0 Ų033.8 Ų33.80%020%0.195CC..EExtended strand (participates in β ladder)trans-101.9111.6177.9-1730000108.5P436 N437 I495 I523 F709P436-V490 HydrophobicContact CB-CG2 3.66Å; P436-V490 HydrophobicContact CG-CG2 3.72Å; N437-V490 HydrophobicContact CB-CG1 4.38Å; V490-I495 HydrophobicContact CG1-CG1 3.71Å; V490-I523 HydrophobicContact CB-CB 4.26Å; V490-I523 PolarHBondContact N-O 2.97Å; V490-I523 PolarHBondContact O-N 3.07Å; V490-F709 HydrophobicContact CG1-CE1 4.12Å; V490-F709 HydrophobicContact CG1-CZ 4.29Å
491P85.5Confident79.1Confident40 Ų4033 Ų3326%0.2619%0.191SC..  trans-61.2140.6175-25.237.7000111.3I489 D493 Q494 I495I489-P491 WeakPolarHBondContact O-CD 3.48Å; P491-D493 WeakPolarHBondContact CB-OD1 3.36Å; P491-D493 PolarHBondContact O-N 3.03Å; P491-Q494 HydrophobicContact CB-CG 4.25Å; P491-Q494 HydrophobicContact CG-CG 4.46Å; P491-Q494 PolarHBondContact O-N 3.49Å; P491-I495 PolarHBondContact O-N 3.31Å
492P77.9Confident77.1Confident37 Ų3735 Ų3524%0.2420%0.204CC..Hα-helixtrans-58.1-33.2-176.4-25.935000114.3Q494 H519 A521P492-Q494 VanDerWaalsContact C-N 3.32Å; P492-Q494 PolarHBondContact O-N 3.42Å; P492-H519 WeakPolarHBondContact CB-O 3.04Å; P492-A521 WeakPolarHBondContact CG-O 3.24Å
493D76.9Confident74.8Confident106 Ų10642 Ų4257%0.56724%0.237SC*.Hα-helixtrans-65.2-34.8176.859.4-53000112.1P491 N496 S497P491-D493 WeakPolarHBondContact CB-OD1 3.36Å; P491-D493 PolarHBondContact O-N 3.03Å; D493-N496 PolarHBondContact O-N 3.36Å; D493-S497 PolarHBondContact O-OG 2.66Å; D493-S497 VanDerWaalsContact O-OG 3.1Å
494Q75.7Confident72.6Confident67 Ų6743.8 Ų43.831%0.31325%0.247SC..Hα-helixtrans-82.5-13-176.6-61.1-166.85.700114.6P491 P492 N496 F709P491-Q494 HydrophobicContact CB-CG 4.25Å; P491-Q494 HydrophobicContact CG-CG 4.46Å; P491-Q494 PolarHBondContact O-N 3.49Å; P492-Q494 VanDerWaalsContact C-N 3.32Å; P492-Q494 PolarHBondContact O-N 3.42Å; Q494-N496 VanDerWaalsContact C-N 3.25Å; Q494-N496 PolarHBondContact O-N 3.48Å; Q494-F709 HydrophobicContact CB-CE1 4.31Å; Q494-F709 HydrophobicContact CB-CZ 3.92Å
495I72Confident70.4Confident16 Ų1644.4 Ų44.48%0.08225%0.25CC..Hα-helixtrans-64.2-37.6171.6-59.3167.3000109.8R441 V490 P491 I523R441-I495 WeakPolarHBondContact CD-O 3.29Å; R441-I495 HydrophobicContact CG-CG2 4.12Å; R441-I495 PolarHBondContact NH1-O 3.42Å; V490-I495 HydrophobicContact CG1-CG1 3.71Å; P491-I495 PolarHBondContact O-N 3.31Å; I495-I523 HydrophobicContact CD1-CD1 3.26Å; I495-I523 HydrophobicContact CD1-CG1 3.79Å; I495-I523 HydrophobicContact CG1-CD1 4.34Å
496N64.2Low68Low120 Ų12052.9 Ų52.964%0.64229%0.287SS*.SBendtrans-92.3-7.4-175.2-66.7-36.5000114D493 Q494 E498D493-N496 PolarHBondContact O-N 3.36Å; Q494-N496 VanDerWaalsContact C-N 3.25Å; Q494-N496 PolarHBondContact O-N 3.48Å; N496-E498 PolarHBondContact O-N 2.65Å
497S54.5Low65.6Low83 Ų8360 Ų6058%0.5832%0.324SS*.  trans-67.2-15.6-171.5-68.20000115.4D493D493-S497 PolarHBondContact O-OG 2.66Å; D493-S497 VanDerWaalsContact O-OG 3.1Å
498E54.8Low63.4Low24 Ų2463.5 Ų63.511%0.11235%0.345CS..  trans-93.7110.4172.3-92.9-178.8-133.700112.1L438 R441 N496 S502 L706 P707L438-E498 VanDerWaalsContact CD2-OE2 3.31Å; L438-E498 WeakPolarHBondContact CD2-OE2 3.09Å; R441-E498 PolarHBondContact NH1-O 3.22Å; N496-E498 PolarHBondContact O-N 2.65Å; E498-S502 PolarHBondContact O-OG 3.16Å; E498-L706 WeakPolarHBondContact OE1-CD2 3.45Å; E498-P707 WeakPolarHBondContact OE1-CD 3.49Å
499S51.1Low61.2Low52 Ų5264 Ų6436%0.36435%0.349SS..  trans-82.4-16.1-174.9750000114L501 S502 E503S499-L501 PolarHBondContact O-N 3.04Å; S499-S502 WeakPolarHBondContact CA-OG 3.46Å; S499-S502 PolarHBondContact O-N 3.49Å; S499-S502 PolarHBondContact O-OG 3.26Å; S499-E503 WeakPolarHBondContact CB-OE1 3.32Å; S499-E503 VanDerWaalsContact O-CB 3.22Å; S499-E503 WeakPolarHBondContact O-CB 3.31Å; S499-E503 VanDerWaalsContact O-CG 3.29Å; S499-E503 WeakPolarHBondContact O-CG 3.47Å; S499-E503 PolarHBondContact O-N 3.05Å; S499-E503 VanDerWaalsContact OG-CD 3.31Å; S499-E503 PolarHBondContact OG-OE1 2.85Å
500C48.5Very low59.1Low46 Ų4669.8 Ų69.831%0.31137%0.372SS..Hα-helixtrans-68.1-37.6-162.5-151.40000114.2I504C500-I504 WeakPolarHBondContact O-CD1 3.5Å; C500-I504 VanDerWaalsContact O-CG1 3.28Å; C500-I504 WeakPolarHBondContact O-CG1 3.02Å
501L55.1Low57.4Low9 Ų973.2 Ų73.25%0.04739%0.389CS..Hα-helixtrans-83.7-27.3173.4-72.9174.4000113.3Y445 W450 S499 W699Y445-L501 WeakPolarHBondContact OH-CB 3.49Å; Y445-L501 WeakPolarHBondContact OH-CD1 3.38Å; W450-L501 HydrophobicContact CZ3-CD2 4.1Å; S499-L501 PolarHBondContact O-N 3.04Å; L501-W699 HydrophobicContact CD2-CD2 4.42Å; L501-W699 HydrophobicContact CD2-CH2 4.17Å; L501-W699 HydrophobicContact CD2-CZ2 3.57Å
502S48.7Very low55.8Low44 Ų4473.3 Ų73.331%0.30839%0.391SS..Hα-helixtrans-79.9-30.7179.835.50000112.7E498 S499 I504 N505E498-S502 PolarHBondContact O-OG 3.16Å; S499-S502 WeakPolarHBondContact CA-OG 3.46Å; S499-S502 PolarHBondContact O-N 3.49Å; S499-S502 PolarHBondContact O-OG 3.26Å; S502-I504 VanDerWaalsContact C-N 3.33Å; S502-N505 PolarHBondContact O-N 3.13Å
503E48Very low54Low147 Ų14777.7 Ų77.769%0.68742%0.417SS*.Hα-helixtrans-71-28.3175.7-78.4176.8-167.300112.5S499 N505S499-E503 WeakPolarHBondContact CB-OE1 3.32Å; S499-E503 VanDerWaalsContact O-CB 3.22Å; S499-E503 WeakPolarHBondContact O-CB 3.31Å; S499-E503 VanDerWaalsContact O-CG 3.29Å; S499-E503 WeakPolarHBondContact O-CG 3.47Å; S499-E503 PolarHBondContact O-N 3.05Å; S499-E503 VanDerWaalsContact OG-CD 3.31Å; S499-E503 PolarHBondContact OG-OE1 2.85Å; E503-N505 PolarHBondContact O-N 2.83Å
504I51.1Low52.4Low39 Ų3976.3 Ų76.320%0.241%0.413CS..THydrogen-bonded Turntrans-70.4-14.7176.7-66.7170.8000111.7W450 C500 S502 H697 W699W450-I504 HydrophobicContact CH2-CG2 4.1Å; C500-I504 WeakPolarHBondContact O-CD1 3.5Å; C500-I504 VanDerWaalsContact O-CG1 3.28Å; C500-I504 WeakPolarHBondContact O-CG1 3.02Å; S502-I504 VanDerWaalsContact C-N 3.33Å; I504-H697 HydrophobicContact CG2-CB 4.12Å; I504-H697 WeakPolarHBondContact CG2-ND1 3.25Å; I504-W699 HydrophobicContact CD1-CB 3.98Å; I504-W699 HydrophobicContact CD1-CD2 3.95Å; I504-W699 HydrophobicContact CD1-CE3 3.74Å; I504-W699 HydrophobicContact CD1-CG 4.07Å
505N49.5Very low50.5Low16 Ų1678.9 Ų78.99%0.08643%0.433CS..  trans-136.446.2-153.6-91.7-35000116.6W450 S502 E503 C509W450-N505 WeakPolarHBondContact CZ2-ND2 3.42Å; S502-N505 PolarHBondContact O-N 3.13Å; E503-N505 PolarHBondContact O-N 2.83Å; N505-C509 HydrophobicContact CB-CB 3.69Å; N505-C509 WeakPolarHBondContact OD1-CB 3.49Å
506K46.4Very low49.2Very low199 Ų19983.9 Ų83.987%0.86546%0.46SS*.SBendtrans-73.5-28.1165.7-80.7-176.4178.2175.40113.9
507D46.5Very low48.2Very low161 Ų16186.2 Ų86.286%0.86147%0.473SS*.SBendtrans-113.4-15.4-169.2-65.8-26000115.5
508T50.1Low48.1Very low76 Ų7688.2 Ų88.247%0.46648%0.477SS..SBendtrans-122.7-22.2-168.7-20.50000115.3
509C48.3Very low48.1Very low14 Ų1493.5 Ų93.510%0.09550%0.501CS..  trans-112113.3-177.7-1580000110.7Y445 W450 N505 M511Y445-C509 VanDerWaalsContact CD1-SG 3.57Å; W450-C509 VanDerWaalsContact CG-SG 3.52Å; N505-C509 HydrophobicContact CB-CB 3.69Å; N505-C509 WeakPolarHBondContact OD1-CB 3.49Å; C509-M511 PolarHBondContact O-N 2.85Å; C509-M511 VanDerWaalsContact O-N 3.12Å
510K48.5Very low48.8Very low169 Ų16998.1 Ų98.174%0.73552%0.522SS*.  trans-73.1105.1170.7-65.8-178.8-177.4178.20107.3V446V446-K510 HydrophobicContact CB-CB 4.3Å; V446-K510 WeakPolarHBondContact CB-O 3.37Å; V446-K510 HydrophobicContact CG2-CB 4.37Å; V446-K510 WeakPolarHBondContact CG2-O 3.47Å; V446-K510 PolarHBondContact N-O 2.72Å
511M53.1Low50.1Low72 Ų7298 Ų9836%0.35552%0.524SS..BIsolated β-bridgetrans-79.5135.6161.4-67.4-162.471.400108.3D444 C509 T513D444-M511 HydrophobicContact CB-CE 3.26Å; D444-M511 WeakPolarHBondContact O-CA 3.42Å; C509-M511 PolarHBondContact O-N 2.85Å; C509-M511 VanDerWaalsContact O-N 3.12Å; M511-T513 PolarHBondContact O-N 2.77Å; M511-T513 VanDerWaalsContact O-N 3.08Å
512S50.1Low51.5Low43 Ų43100.6 Ų100.630%0.30154%0.542SS..  trans-67.6108.7175.140.10000109.4D444 T514D444-S512 PolarHBondContact O-N 3.43Å; D444-S512 PolarHBondContact O-OG 2.76Å; S512-T514 PolarHBondContact O-N 2.94Å
513T41.2Very low53.5Low128 Ų12899 Ų9979%0.78553%0.529SS*.  trans-76.576.2161.353.50000107.8M511 T515M511-T513 PolarHBondContact O-N 2.77Å; M511-T513 VanDerWaalsContact O-N 3.08Å; T513-T515 VanDerWaalsContact C-N 3.29Å; T513-T515 PolarHBondContact O-N 2.87Å
514T42.7Very low55.6Low78 Ų7893.2 Ų93.248%0.47950%0.504SS..  trans-69.796.8163.828.50000107.5S512 D516S512-T514 PolarHBondContact O-N 2.94Å; T514-D516 PolarHBondContact O-N 3.21Å
515T36.2Very low57.8Low121 Ų12191.3 Ų91.374%0.74249%0.494SS*.  trans-64.678.6163.8360000109T513T513-T515 VanDerWaalsContact C-N 3.29Å; T513-T515 PolarHBondContact O-N 2.87Å
516D44.7Very low60Low120 Ų12093.8 Ų93.864%0.64250%0.502SS*.  trans-106.8128.8160.8-88.6-29.1000108.5T514 N518T514-D516 PolarHBondContact O-N 3.21Å; D516-N518 PolarHBondContact O-N 3.03Å
517N44.1Very low62.4Low170 Ų17084.6 Ų84.691%0.90946%0.462SS*.THydrogen-bonded Turntrans-63.815.9-172.5-72.2-37.9000115.2
518N52.3Low64.8Low124 Ų12477.5 Ų77.566%0.66343%0.425SS*.THydrogen-bonded Turntrans-112.627.6-177.7-95.1-1.3000113.5D516 N520 A521D516-N518 PolarHBondContact O-N 3.03Å; N518-N520 PolarHBondContact O-N 3.03Å; N518-A521 PolarHBondContact O-N 3.01Å
519H54.9Low67Low135 Ų13573.9 Ų73.963%0.62540%0.403SS*.THydrogen-bonded Turntrans-54.6-9.1-179.3-82.1-54.1000116.2P492P492-H519 WeakPolarHBondContact CB-O 3.04Å
520N65.2Low69.3Low150 Ų15073.2 Ų73.280%0.80240%0.399SS*.THydrogen-bonded Turntrans-103.5-6-179.9-71.3-2.7000114.7N518N518-N520 PolarHBondContact O-N 3.03Å
521A75.6Confident71.5Confident42 Ų4265.2 Ų65.235%0.34736%0.364SS..SBendtrans-79.8132.3179.400000110.7P492 N518P492-A521 WeakPolarHBondContact CG-O 3.24Å; N518-A521 PolarHBondContact O-N 3.01Å
522P84.8Confident73.3Confident65 Ų6561.8 Ų61.842%0.42235%0.347SS..PPolyproline II helixtrans-64.4144.317728.3-34.3000111.1I489I489-P522 HydrophobicContact CG2-CB 3.61Å; I489-P522 HydrophobicContact CG2-CG 4.17Å
523I90.2Very high75.1Confident9 Ų960.5 Ų60.55%0.04634%0.338CS..EExtended strand (participates in β ladder)trans-82.1122.3175.3-64.5-172.5000108.9V490 I495 C545 I547 K548V490-I523 HydrophobicContact CB-CB 4.26Å; V490-I523 PolarHBondContact N-O 2.97Å; V490-I523 PolarHBondContact O-N 3.07Å; I495-I523 HydrophobicContact CD1-CD1 3.26Å; I495-I523 HydrophobicContact CD1-CG1 3.79Å; I495-I523 HydrophobicContact CG1-CD1 4.34Å; I523-C545 WeakPolarHBondContact CG2-SG 3.5Å; I523-I547 HydrophobicContact CB-CG2 4.17Å; I523-I547 HydrophobicContact CD1-CG2 4.34Å; I523-I547 HydrophobicContact CG1-CG2 3.92Å; I523-I547 HydrophobicContact CG2-CG2 3.7Å; I523-K548 HydrophobicContact CD1-CD 4.37Å; I523-K548 HydrophobicContact CD1-CG 4.11Å
524V93Very high77.2Confident26 Ų2656 Ų5616%0.15831%0.308CS..EExtended strand (participates in β ladder)trans-101.5125.7176.3-175.50000110.2W488 R526W488-V524 WeakPolarHBondContact O-CA 3.41Å; V524-R526 HydrophobicContact CG1-CG 4.12Å
525I95.3Very high78.9Confident0 Ų058.7 Ų58.70%032%0.315CS..EExtended strand (participates in β ladder)trans-106.4127169.2-54.3176.8000107.7M433 P436 F439 S487 W488 F543 S544 C545M433-I525 HydrophobicContact SD-CD1 4.43Å; P436-I525 HydrophobicContact CB-CD1 3.38Å; F439-I525 HydrophobicContact CD1-CD1 3.86Å; F439-I525 HydrophobicContact CE1-CD1 4.48Å; S487-I525 CarbonylContact C-O 3.45Å; S487-I525 WeakPolarHBondContact CA-O 3.22Å; S487-I525 WeakPolarHBondContact CB-O 3.47Å; W488-I525 HydrophobicContact CB-CB 4.45Å; W488-I525 HydrophobicContact CE3-CB 4.49Å; W488-I525 HydrophobicContact CE3-CG2 4.43Å; W488-I525 PolarHBondContact N-O 2.84Å; W488-I525 PolarHBondContact O-N 3.12Å; I525-F543 HydrophobicContact CG2-CB 4.4Å; I525-F543 HydrophobicContact CG2-CD1 4.35Å; I525-S544 CarbonylContact C-O 3.56Å; I525-S544 WeakPolarHBondContact CA-O 3.47Å; I525-C545 HydrophobicContact CG1-CB 4.18Å
526R96Very high80.9Confident67 Ų6754.6 Ų54.625%0.25329%0.29SS..EExtended strand (participates in β ladder)trans-107.4142.6179-59.2179.6-175.2146.42.3110.3D351 V524 F543 S544D351-R526 IonicContact OD1-CZ 3.78Å; D351-R526 IonicContact OD1-NH2 3.95Å; D351-R526 PolarHBondContact OD1-NH2 3.16Å; D351-R526 IonicContact OD2-NH2 2.72Å; V524-R526 HydrophobicContact CG1-CG 4.12Å; R526-F543 CarbonylContact O-C 3.43Å; R526-F543 VanDerWaalsContact O-CA 3.25Å; R526-F543 WeakPolarHBondContact O-CA 3.46Å; R526-S544 PolarHBondContact N-O 2.93Å; R526-S544 PolarHBondContact O-N 3.37Å
527Y97.5Very high82.9Confident6 Ų649.6 Ų49.62%0.02427%0.265CS..EExtended strand (participates in β ladder)trans-123.1132.7174175.4-96.1000110.8L426 F429 A430 F484 H485 C486 A529 F541 Q542 F543L426-Y527 PolarHBondContact O-OH 3.01Å; F429-Y527 WeakPolarHBondContact CB-OH 3.41Å; A430-Y527 HydrophobicContact CB-CD1 3.94Å; A430-Y527 HydrophobicContact CB-CE1 3.78Å; A430-Y527 HydrophobicContact CB-CE2 4.47Å; A430-Y527 HydrophobicContact CB-CG 4.35Å; F484-Y527 AromaticContact CD1-CD1 3.81Å; F484-Y527 HydrophobicContact CD1-CD1 3.81Å; F484-Y527 AromaticContact CD1-CE1 3.63Å; F484-Y527 HydrophobicContact CD1-CE1 3.63Å; F484-Y527 HydrophobicContact CE1-CD1 4.38Å; F484-Y527 HydrophobicContact CE1-CE1 4.39Å; H485-Y527 WeakPolarHBondContact CA-O 3.47Å; C486-Y527 PolarHBondContact N-O 3.17Å; C486-Y527 PolarHBondContact O-N 2.91Å; Y527-A529 HydrophobicContact CD1-CB 4.47Å; Y527-A529 HydrophobicContact CE1-CB 3.51Å; Y527-A529 WeakPolarHBondContact OH-CB 2.98Å; Y527-F541 HydrophobicContact CD2-CB 4.47Å; Y527-F541 HydrophobicContact CE2-CB 3.57Å; Y527-F541 AromaticContact CE2-CD2 3.73Å; Y527-F541 HydrophobicContact CE2-CD2 3.73Å; Y527-F541 AromaticContact CE2-CG 3.77Å; Y527-F541 HydrophobicContact CE2-CG 3.77Å; Y527-Q542 WeakPolarHBondContact CA-O 3.39Å; Y527-F543 AromaticContact CD2-CD1 3.63Å; Y527-F543 HydrophobicContact CD2-CD1 3.63Å; Y527-F543 AromaticContact CD2-CD2 3.89Å; Y527-F543 HydrophobicContact CD2-CD2 3.89Å; Y527-F543 AromaticContact CD2-CE1 3.33Å; Y527-F543 HydrophobicContact CD2-CE1 3.33Å; Y527-F543 AromaticContact CD2-CE2 3.63Å; Y527-F543 HydrophobicContact CD2-CE2 3.63Å; Y527-F543 AromaticContact CD2-CG 3.9Å; Y527-F543 HydrophobicContact CD2-CG 3.9Å; Y527-F543 AromaticContact CD2-CZ 3.34Å; Y527-F543 HydrophobicContact CD2-CZ 3.34Å; Y527-F543 HydrophobicContact CE2-CD2 4.21Å; Y527-F543 AromaticContact CE2-CE1 4Å; Y527-F543 HydrophobicContact CE2-CE1 4Å; Y527-F543 AromaticContact CE2-CE2 3.62Å; Y527-F543 HydrophobicContact CE2-CE2 3.62Å; Y527-F543 AromaticContact CE2-CZ 3.5Å; Y527-F543 HydrophobicContact CE2-CZ 3.5Å; Y527-F543 VanDerWaalsContact CE2-CZ 3.5Å; Y527-F543 HydrophobicContact CG-CD1 4.28Å; Y527-F543 HydrophobicContact CG-CE1 4.02Å; Y527-F543 HydrophobicContact CG-CZ 4.36Å
528C96.6Very high85.2Confident13 Ų1341.6 Ų41.69%0.08822%0.222CC..EExtended strand (participates in β ladder)trans-132.5129.5171.2176.70000109H485 F541 Q542 F782H485-C528 VanDerWaalsContact CD2-SG 3.53Å; H485-C528 PolarHBondContact NE2-SG 3.49Å; H485-C528 VanDerWaalsContact NE2-SG 3.39Å; C528-F541 CarbonylContact O-C 3.55Å; C528-F541 WeakPolarHBondContact O-CA 3.02Å; C528-Q542 PolarHBondContact N-O 3.04Å; C528-Q542 PolarHBondContact O-N 3.13Å; C528-F782 HydrophobicContact CB-CE2 3.83Å; C528-F782 HydrophobicContact CB-CZ 4.42Å
529A97.5Very high87.2Confident0 Ų035.8 Ų35.80%019%0.191CC..EExtended strand (participates in β ladder)trans-131.1150176.400000111.8L426 T483 F484 Y527 V540 F541L426-A529 HydrophobicContact CB-CB 4.16Å; L426-A529 HydrophobicContact CD2-CB 4.37Å; T483-A529 CarbonylContact C-O 3.53Å; T483-A529 WeakPolarHBondContact CA-O 3.46Å; F484-A529 HydrophobicContact CB-CB 4.48Å; F484-A529 PolarHBondContact N-O 3.26Å; F484-A529 PolarHBondContact O-N 3.25Å; Y527-A529 HydrophobicContact CD1-CB 4.47Å; Y527-A529 HydrophobicContact CE1-CB 3.51Å; Y527-A529 WeakPolarHBondContact OH-CB 2.98Å; A529-V540 CarbonylContact C-O 3.57Å; A529-V540 VanDerWaalsContact CA-O 3.28Å; A529-V540 WeakPolarHBondContact CA-O 3.36Å; A529-F541 HydrophobicContact CB-CB 3.67Å
530E96.4Very high89.2Confident0 Ų029.3 Ų29.30%016%0.161CC..EExtended strand (participates in β ladder)trans-142.4137.2176.4-172.8175.4176.900110.8E482 T483 V532 V540 V770 K771 Y772 F773E482-E530 CarbonylContact O-C 3.47Å; E482-E530 WeakPolarHBondContact O-CA 3.33Å; T483-E530 HydrophobicContact CG2-CB 4.35Å; T483-E530 HydrophobicContact CG2-CG 4.09Å; E530-V532 HydrophobicContact CB-CG1 4.28Å; E530-V532 HydrophobicContact CG-CG1 4.23Å; E530-V532 PolarHBondContact O-N 3.39Å; E530-V540 PolarHBondContact N-O 2.99Å; E530-V540 PolarHBondContact O-N 2.79Å; E530-V770 VanDerWaalsContact OE1-CA 3.3Å; E530-V770 WeakPolarHBondContact OE1-CA 3.39Å; E530-V770 WeakPolarHBondContact OE2-CG1 3.45Å; E530-K771 VanDerWaalsContact CD-N 3.31Å; E530-K771 PolarHBondContact OE1-N 3.1Å; E530-K771 PolarHBondContact OE2-N 3.04Å; E530-Y772 PolarHBondContact OE2-N 3.47Å; E530-F773 HydrophobicContact CB-CD2 3.8Å; E530-F773 HydrophobicContact CB-CE2 3.76Å
531Q95.2Very high90.7Very high0 Ų022.5 Ų22.50%012%0.124CC..EExtended strand (participates in β ladder)trans-82.492.5169.3-17172.21600109.9L426 P478 I479 G481 E482 S533 V538 T539L426-Q531 HydrophobicContact CD2-CB 4.43Å; P478-Q531 HydrophobicContact CB-CB 3.82Å; P478-Q531 HydrophobicContact CB-CG 3.8Å; I479-Q531 WeakPolarHBondContact O-CB 3.27Å; I479-Q531 VanDerWaalsContact O-CG 3.31Å; I479-Q531 WeakPolarHBondContact O-CG 3.31Å; G481-Q531 PolarHBondContact N-O 2.88Å; E482-Q531 HydrophobicContact CB-CB 4.25Å; E482-Q531 PolarHBondContact O-N 3.44Å; Q531-S533 PolarHBondContact NE2-O 3.36Å; Q531-V538 PolarHBondContact NE2-O 3.41Å; Q531-T539 PolarHBondContact OE1-OG1 2.69Å
532V90.9Very high91.7Very high0 Ų021.6 Ų21.60%011%0.113CC..EExtended strand (participates in β ladder)trans-78.2-21.4-173.1-56.10000113.4P198 E530 V538 V540 V770 W780P198-V532 HydrophobicContact CB-CB 4.36Å; P198-V532 HydrophobicContact CB-CG2 4.48Å; P198-V532 WeakPolarHBondContact CB-O 3.36Å; P198-V532 HydrophobicContact CG-CB 3.77Å; P198-V532 HydrophobicContact CG-CG2 3.52Å; E530-V532 HydrophobicContact CB-CG1 4.28Å; E530-V532 HydrophobicContact CG-CG1 4.23Å; E530-V532 PolarHBondContact O-N 3.39Å; V532-V538 HydrophobicContact CG2-CB 3.9Å; V532-V538 HydrophobicContact CG2-CG1 3.72Å; V532-V538 WeakPolarHBondContact CG2-O 3.28Å; V532-V538 PolarHBondContact N-O 3.3Å; V532-V540 HydrophobicContact CB-CG2 4.25Å; V532-V540 HydrophobicContact CG1-CB 3.93Å; V532-V540 HydrophobicContact CG1-CG2 3.64Å; V532-V540 HydrophobicContact CG2-CG2 3.55Å; V532-V770 HydrophobicContact CB-CG1 4.41Å; V532-V770 HydrophobicContact CB-CG2 4.18Å; V532-V770 HydrophobicContact CG1-CG1 3.76Å; V532-V770 HydrophobicContact CG1-CG2 4.41Å; V532-W780 HydrophobicContact CB-CH2 3.82Å; V532-W780 HydrophobicContact CB-CZ2 3.84Å; V532-W780 HydrophobicContact CG1-CH2 4.01Å; V532-W780 HydrophobicContact CG1-CZ2 4.17Å; V532-W780 HydrophobicContact CG1-CZ3 4.4Å; V532-W780 HydrophobicContact CG2-CH2 4.01Å; V532-W780 HydrophobicContact CG2-CZ2 3.46Å; V532-W780 VanDerWaalsContact CG2-CZ2 3.46Å
533S87.1Confident92.3Very high17 Ų1718.8 Ų18.812%0.1199%0.094CC..EExtended strand (participates in β ladder)trans-146.3147.8175.9-1800000111.7Q531 P536 P537 V538Q531-S533 PolarHBondContact NE2-O 3.36Å; S533-P536 CarbonylContact C-O 3.47Å; S533-P536 VanDerWaalsContact CB-O 3.29Å; S533-P536 WeakPolarHBondContact CB-O 3.45Å; S533-P536 PolarHBondContact OG-O 3.28Å; S533-P537 WeakPolarHBondContact O-CA 3.43Å; S533-V538 PolarHBondContact N-O 3.43Å; S533-V538 PolarHBondContact O-N 3.27Å
534H84.8Confident92.5Very high33 Ų3319.5 Ų19.515%0.15310%0.1CC..EExtended strand (participates in β ladder)trans-108.6-30.9176.6-172.676.4000113.6P478 I480 P536 P537 Q754P478-H534 PolarHBondContact O-ND1 2.88Å; I480-H534 HydrophobicContact CB-CB 4.13Å; H534-P536 CarbonylContact C-O 3.46Å; H534-P536 VanDerWaalsContact C-O 3.26Å; H534-P536 CarbonylContact O-C 3.51Å; H534-P536 VanDerWaalsContact O-C 3.28Å; H534-P537 VanDerWaalsContact O-N 3.16Å; H534-Q754 PolarHBondContact CD2-NE2 3.45Å; H534-Q754 PolarHBondContact ND1-NE2 3.02Å
535H78Confident92.6Very high135 Ų13518.3 Ų18.363%0.6259%0.092SC*.THydrogen-bonded Turntrans-133.190178.7-67.7-32.2000110.8
536P79.3Confident92.5Very high34 Ų3421.6 Ų21.622%0.22111%0.114CC..THydrogen-bonded Turncis-74.91612.331.8-34.8000113.1F196 S533 H534 V538F196-P536 HydrophobicContact CD1-CG 3.55Å; F196-P536 HydrophobicContact CE1-CG 3.62Å; F196-P536 HydrophobicContact CG-CG 4.2Å; F196-P536 HydrophobicContact CZ-CG 4.3Å; S533-P536 CarbonylContact C-O 3.47Å; S533-P536 VanDerWaalsContact CB-O 3.29Å; S533-P536 WeakPolarHBondContact CB-O 3.45Å; S533-P536 PolarHBondContact OG-O 3.28Å; H534-P536 CarbonylContact C-O 3.46Å; H534-P536 VanDerWaalsContact C-O 3.26Å; H534-P536 CarbonylContact O-C 3.51Å; H534-P536 VanDerWaalsContact O-C 3.28Å; P536-V538 HydrophobicContact CG-CG2 4.36Å; P536-V538 PolarHBondContact O-N 2.98Å
537P87.2Confident92.2Very high16 Ų1622.6 Ų22.610%0.10412%0.123CC..EExtended strand (participates in β ladder)trans-72115.2178.328.9-33.1000109.7S533 H534 C557S533-P537 WeakPolarHBondContact O-CA 3.43Å; H534-P537 VanDerWaalsContact O-N 3.16Å; P537-C557 VanDerWaalsContact O-CA 3.26Å; P537-C557 WeakPolarHBondContact O-CA 3.39Å; P537-C557 PolarHBondContact O-SG 3.38Å
538V91.2Very high91.9Very high1 Ų123.7 Ų23.71%0.00613%0.128CC..EExtended strand (participates in β ladder)trans-126.6123.9178-174.30000109F196 Q531 V532 S533 P536 L556 C557F196-V538 HydrophobicContact CB-CG2 3.64Å; F196-V538 HydrophobicContact CD2-CG2 4.21Å; F196-V538 HydrophobicContact CG-CG2 4Å; Q531-V538 PolarHBondContact NE2-O 3.41Å; V532-V538 HydrophobicContact CG2-CB 3.9Å; V532-V538 HydrophobicContact CG2-CG1 3.72Å; V532-V538 WeakPolarHBondContact CG2-O 3.28Å; V532-V538 PolarHBondContact N-O 3.3Å; S533-V538 PolarHBondContact N-O 3.43Å; S533-V538 PolarHBondContact O-N 3.27Å; P536-V538 HydrophobicContact CG-CG2 4.36Å; P536-V538 PolarHBondContact O-N 2.98Å; V538-L556 WeakPolarHBondContact CA-O 3.24Å; V538-C557 HydrophobicContact CG2-CB 4.35Å
539T94.9Very high91.8Very high2 Ų228.3 Ų28.31%0.01215%0.149CC..EExtended strand (participates in β ladder)trans-107135.1174.3-58.80000109.1L426 F429 Q531 F541 S555 L556L426-T539 HydrophobicContact CD2-CG2 3.26Å; F429-T539 HydrophobicContact CD2-CG2 3.86Å; F429-T539 HydrophobicContact CE2-CG2 3.9Å; Q531-T539 PolarHBondContact OE1-OG1 2.69Å; T539-F541 HydrophobicContact CG2-CD1 4.34Å; T539-S555 WeakPolarHBondContact O-CA 3.28Å; T539-L556 PolarHBondContact N-O 2.97Å; T539-L556 PolarHBondContact O-N 3.19Å
540V95.9Very high91.8Very high0 Ų028.3 Ų28.30%015%0.149CC..EExtended strand (participates in β ladder)trans-120.5137171.3-175.10000108.5A529 E530 V532 G554 F773 W780A529-V540 CarbonylContact C-O 3.57Å; A529-V540 VanDerWaalsContact CA-O 3.28Å; A529-V540 WeakPolarHBondContact CA-O 3.36Å; E530-V540 PolarHBondContact N-O 2.99Å; E530-V540 PolarHBondContact O-N 2.79Å; V532-V540 HydrophobicContact CB-CG2 4.25Å; V532-V540 HydrophobicContact CG1-CB 3.93Å; V532-V540 HydrophobicContact CG1-CG2 3.64Å; V532-V540 HydrophobicContact CG2-CG2 3.55Å; V540-G554 CarbonylContact C-O 3.28Å; V540-G554 VanDerWaalsContact CA-O 3.27Å; V540-G554 WeakPolarHBondContact CA-O 3.49Å; V540-F773 HydrophobicContact CB-CD1 4.34Å; V540-F773 HydrophobicContact CB-CD2 4.08Å; V540-F773 HydrophobicContact CB-CE1 4.48Å; V540-F773 HydrophobicContact CB-CE2 4.25Å; V540-F773 HydrophobicContact CB-CG 4.13Å; V540-F773 HydrophobicContact CB-CZ 4.45Å; V540-F773 HydrophobicContact CG1-CB 4.27Å; V540-F773 HydrophobicContact CG1-CD1 3.35Å; V540-F773 HydrophobicContact CG1-CD2 3.97Å; V540-F773 HydrophobicContact CG1-CE1 3.53Å; V540-F773 HydrophobicContact CG1-CE2 4.14Å; V540-F773 HydrophobicContact CG1-CG 3.58Å; V540-F773 HydrophobicContact CG1-CZ 3.94Å; V540-W780 HydrophobicContact CB-CG 4.38Å; V540-W780 HydrophobicContact CG1-CB 3.62Å; V540-W780 HydrophobicContact CG1-CD2 4.29Å; V540-W780 HydrophobicContact CG1-CG 3.76Å; V540-W780 HydrophobicContact CG2-CB 4.39Å; V540-W780 HydrophobicContact CG2-CD2 3.74Å; V540-W780 HydrophobicContact CG2-CG 3.64Å; V540-W780 HydrophobicContact CG2-CZ2 4.13Å
541F96.9Very high91.8Very high7 Ų733 Ų333%0.03117%0.169CC..EExtended strand (participates in β ladder)trans-144.3159.5177.463.3-99000112.3F429 Y527 C528 A529 T539 F543 T553 G554 L556 L575F429-F541 HydrophobicContact CB-CD1 4.21Å; F429-F541 HydrophobicContact CB-CE1 4.07Å; F429-F541 HydrophobicContact CD1-CE1 4.2Å; F429-F541 HydrophobicContact CD2-CD1 4.21Å; F429-F541 HydrophobicContact CD2-CE1 4.15Å; F429-F541 HydrophobicContact CG-CD1 4.24Å; F429-F541 AromaticContact CG-CE1 3.89Å; F429-F541 HydrophobicContact CG-CE1 3.89Å; Y527-F541 HydrophobicContact CD2-CB 4.47Å; Y527-F541 HydrophobicContact CE2-CB 3.57Å; Y527-F541 AromaticContact CE2-CD2 3.73Å; Y527-F541 HydrophobicContact CE2-CD2 3.73Å; Y527-F541 AromaticContact CE2-CG 3.77Å; Y527-F541 HydrophobicContact CE2-CG 3.77Å; C528-F541 CarbonylContact O-C 3.55Å; C528-F541 WeakPolarHBondContact O-CA 3.02Å; A529-F541 HydrophobicContact CB-CB 3.67Å; T539-F541 HydrophobicContact CG2-CD1 4.34Å; F541-F543 HydrophobicContact CD2-CD2 4Å; F541-F543 AromaticContact CD2-CE2 3.81Å; F541-F543 HydrophobicContact CD2-CE2 3.81Å; F541-F543 HydrophobicContact CE2-CD2 4.03Å; F541-F543 AromaticContact CE2-CE2 3.68Å; F541-F543 HydrophobicContact CE2-CE2 3.68Å; F541-T553 CarbonylContact O-C 3.57Å; F541-T553 WeakPolarHBondContact O-CA 3.3Å; F541-G554 PolarHBondContact N-O 3.23Å; F541-G554 PolarHBondContact O-N 3.16Å; F541-L556 HydrophobicContact CE1-CD1 3.83Å; F541-L556 HydrophobicContact CE1-CG 4.33Å; F541-L556 HydrophobicContact CZ-CD1 4.33Å; F541-L575 HydrophobicContact CE1-CD2 4.3Å; F541-L575 HydrophobicContact CE2-CD2 4.23Å; F541-L575 HydrophobicContact CZ-CD2 3.55Å
542Q97.2Very high91.9Very high22 Ų2233.3 Ų33.310%0.10317%0.171CC..EExtended strand (participates in β ladder)trans-136.8129.4171.1179.7170.497.300110.6Y527 C528 L552 T553 F773 F782Y527-Q542 WeakPolarHBondContact CA-O 3.39Å; C528-Q542 PolarHBondContact N-O 3.04Å; C528-Q542 PolarHBondContact O-N 3.13Å; Q542-L552 CarbonylContact C-O 3.6Å; Q542-L552 VanDerWaalsContact CA-O 3.25Å; Q542-L552 WeakPolarHBondContact CA-O 3.31Å; Q542-T553 PolarHBondContact NE2-OG1 2.96Å; Q542-T553 VanDerWaalsContact NE2-OG1 3.15Å; Q542-F773 HydrophobicContact CB-CE1 4.25Å; Q542-F782 HydrophobicContact CB-CD2 4.33Å
543F96.9Very high92.1Very high6 Ų634.7 Ų34.73%0.02618%0.179CC..EExtended strand (participates in β ladder)trans-92.4135.7157.4-60.3-95.1000109.1M433 W488 I525 R526 Y527 F541 K551 L552M433-F543 HydrophobicContact CB-CD1 4.22Å; M433-F543 HydrophobicContact CB-CE1 3.5Å; M433-F543 HydrophobicContact CB-CZ 4.04Å; M433-F543 HydrophobicContact CE-CB 4.23Å; M433-F543 HydrophobicContact CE-CD1 3.56Å; M433-F543 HydrophobicContact CE-CD2 4.28Å; M433-F543 HydrophobicContact CE-CE1 3.88Å; M433-F543 HydrophobicContact CE-CG 3.78Å; M433-F543 HydrophobicContact CE-CZ 4.35Å; M433-F543 HydrophobicContact CG-CD1 4.22Å; M433-F543 HydrophobicContact CG-CE1 4Å; W488-F543 HydrophobicContact CH2-CD1 4.44Å; W488-F543 AromaticContact CH2-CE1 3.7Å; W488-F543 HydrophobicContact CH2-CE1 3.7Å; W488-F543 HydrophobicContact CZ3-CD1 4.02Å; W488-F543 AromaticContact CZ3-CE1 3.73Å; W488-F543 HydrophobicContact CZ3-CE1 3.73Å; I525-F543 HydrophobicContact CG2-CB 4.4Å; I525-F543 HydrophobicContact CG2-CD1 4.35Å; R526-F543 CarbonylContact O-C 3.43Å; R526-F543 VanDerWaalsContact O-CA 3.25Å; R526-F543 WeakPolarHBondContact O-CA 3.46Å; Y527-F543 AromaticContact CD2-CD1 3.63Å; Y527-F543 HydrophobicContact CD2-CD1 3.63Å; Y527-F543 AromaticContact CD2-CD2 3.89Å; Y527-F543 HydrophobicContact CD2-CD2 3.89Å; Y527-F543 AromaticContact CD2-CE1 3.33Å; Y527-F543 HydrophobicContact CD2-CE1 3.33Å; Y527-F543 AromaticContact CD2-CE2 3.63Å; Y527-F543 HydrophobicContact CD2-CE2 3.63Å; Y527-F543 AromaticContact CD2-CG 3.9Å; Y527-F543 HydrophobicContact CD2-CG 3.9Å; Y527-F543 AromaticContact CD2-CZ 3.34Å; Y527-F543 HydrophobicContact CD2-CZ 3.34Å; Y527-F543 HydrophobicContact CE2-CD2 4.21Å; Y527-F543 AromaticContact CE2-CE1 4Å; Y527-F543 HydrophobicContact CE2-CE1 4Å; Y527-F543 AromaticContact CE2-CE2 3.62Å; Y527-F543 HydrophobicContact CE2-CE2 3.62Å; Y527-F543 AromaticContact CE2-CZ 3.5Å; Y527-F543 HydrophobicContact CE2-CZ 3.5Å; Y527-F543 VanDerWaalsContact CE2-CZ 3.5Å; Y527-F543 HydrophobicContact CG-CD1 4.28Å; Y527-F543 HydrophobicContact CG-CE1 4.02Å; Y527-F543 HydrophobicContact CG-CZ 4.36Å; F541-F543 HydrophobicContact CD2-CD2 4Å; F541-F543 AromaticContact CD2-CE2 3.81Å; F541-F543 HydrophobicContact CD2-CE2 3.81Å; F541-F543 HydrophobicContact CE2-CD2 4.03Å; F541-F543 AromaticContact CE2-CE2 3.68Å; F541-F543 HydrophobicContact CE2-CE2 3.68Å; F543-K551 CarbonylContact O-C 3.48Å; F543-K551 WeakPolarHBondContact O-CA 3.27Å; F543-L552 HydrophobicContact CB-CB 4.18Å; F543-L552 HydrophobicContact CD2-CB 4.35Å; F543-L552 HydrophobicContact CD2-CD2 3.75Å; F543-L552 HydrophobicContact CD2-CG 4.02Å; F543-L552 HydrophobicContact CE2-CD2 4.24Å; F543-L552 PolarHBondContact N-O 3.19Å; F543-L552 PolarHBondContact O-N 3.36Å
544S95.6Very high92.5Very high25 Ų2533.9 Ų33.918%0.17517%0.173CC..EExtended strand (participates in β ladder)trans-132.3127.1179.6-177.20000110I525 R526I525-S544 CarbonylContact C-O 3.56Å; I525-S544 WeakPolarHBondContact CA-O 3.47Å; R526-S544 PolarHBondContact N-O 2.93Å; R526-S544 PolarHBondContact O-N 3.37Å
545C95.2Very high92.9Very high0 Ų033 Ų330%017%0.171CC..EExtended strand (participates in β ladder)trans-120.391.9170.2-174.70000108I523 I525 I547 K548 Q549 M550I523-C545 WeakPolarHBondContact CG2-SG 3.5Å; I525-C545 HydrophobicContact CG1-CB 4.18Å; C545-I547 PolarHBondContact O-N 3.37Å; C545-K548 HydrophobicContact CB-CB 4.5Å; C545-K548 PolarHBondContact O-N 2.82Å; C545-Q549 PolarHBondContact O-N 3.49Å; C545-M550 HydrophobicContact CB-CB 4.18Å; C545-M550 PolarHBondContact N-O 3.31Å; C545-M550 PolarHBondContact O-N 3.43Å
546P91.9Very high93.6Very high69 Ų6926.7 Ų26.745%0.44814%0.142SC..THydrogen-bonded Turntrans-60.1-41.9-173.9-26.535.5000113.5K548 Q549P546-K548 VanDerWaalsContact C-N 3.31Å; P546-K548 PolarHBondContact O-N 3.34Å; P546-Q549 PolarHBondContact O-N 2.99Å
547I90.5Very high94.2Very high89 Ų8925.2 Ų25.246%0.45613%0.132SC..THydrogen-bonded Turntrans-64.8-32.7-176.6-167.3168.2000113.1I523 C545I523-I547 HydrophobicContact CB-CG2 4.17Å; I523-I547 HydrophobicContact CD1-CG2 4.34Å; I523-I547 HydrophobicContact CG1-CG2 3.92Å; I523-I547 HydrophobicContact CG2-CG2 3.7Å; C545-I547 PolarHBondContact O-N 3.37Å
548K91.3Very high94.2Very high29 Ų2925.9 Ų25.913%0.12614%0.136CC..THydrogen-bonded Turntrans-95.53.5174.2-67.8-61.6-167.3167.70113.2C440 T443 D444 I523 C545 P546 M550C440-K548 HydrophobicContact CB-CG 4.48Å; T443-K548 HydrophobicContact CG2-CB 3.93Å; T443-K548 HydrophobicContact CG2-CD 3.7Å; T443-K548 HydrophobicContact CG2-CG 4.18Å; D444-K548 IonicContact OD1-NZ 3.32Å; D444-K548 PolarHBondContact OD1-NZ 3.19Å; D444-K548 IonicContact OD2-NZ 2.68Å; I523-K548 HydrophobicContact CD1-CD 4.37Å; I523-K548 HydrophobicContact CD1-CG 4.11Å; C545-K548 HydrophobicContact CB-CB 4.5Å; C545-K548 PolarHBondContact O-N 2.82Å; P546-K548 VanDerWaalsContact C-N 3.31Å; P546-K548 PolarHBondContact O-N 3.34Å; K548-M550 HydrophobicContact CB-CG 3.86Å; K548-M550 HydrophobicContact CB-SD 3.98Å; K548-M550 WeakPolarHBondContact O-CG 3.37Å; K548-M550 PolarHBondContact O-N 2.98Å; K548-M550 VanDerWaalsContact O-N 3.14Å
549Q94.8Very high94Very high110 Ų11029.7 Ų29.751%0.51415%0.153SC..THydrogen-bonded Turntrans4936.9-173.1-48.8-176.326.900114.1C545 P546 G580 E581C545-Q549 PolarHBondContact O-N 3.49Å; P546-Q549 PolarHBondContact O-N 2.99Å; Q549-G580 WeakPolarHBondContact O-CA 3.27Å; Q549-G580 PolarHBondContact O-N 2.84Å; Q549-E581 HydrophobicContact CB-CG 4.19Å; Q549-E581 HydrophobicContact CG-CG 4.19Å
550M96.3Very high93.7Very high0 Ų031.3 Ų31.30%016%0.164CC..EExtended strand (participates in β ladder)trans-100.5136.5-179.1-58.6177.86400111.2F439 I442 T443 C545 K548 L577 K578 L579F439-M550 HydrophobicContact CD1-CE 4.01Å; F439-M550 HydrophobicContact CD1-SD 4.45Å; F439-M550 HydrophobicContact CD2-CE 4.12Å; F439-M550 HydrophobicContact CE1-CB 4.24Å; F439-M550 HydrophobicContact CE1-CE 3.76Å; F439-M550 HydrophobicContact CE1-SD 4.27Å; F439-M550 HydrophobicContact CE2-CE 3.88Å; F439-M550 HydrophobicContact CG-CE 4.21Å; F439-M550 HydrophobicContact CZ-CB 4.37Å; F439-M550 HydrophobicContact CZ-CE 3.7Å; F439-M550 VanDerWaalsContact O-CE 3.27Å; F439-M550 WeakPolarHBondContact O-CE 3.29Å; I442-M550 HydrophobicContact CB-CE 4.22Å; I442-M550 HydrophobicContact CD1-CE 4.39Å; T443-M550 HydrophobicContact CG2-CG 4.47Å; T443-M550 HydrophobicContact CG2-SD 4.07Å; C545-M550 HydrophobicContact CB-CB 4.18Å; C545-M550 PolarHBondContact N-O 3.31Å; C545-M550 PolarHBondContact O-N 3.43Å; K548-M550 HydrophobicContact CB-CG 3.86Å; K548-M550 HydrophobicContact CB-SD 3.98Å; K548-M550 WeakPolarHBondContact O-CG 3.37Å; K548-M550 PolarHBondContact O-N 2.98Å; K548-M550 VanDerWaalsContact O-N 3.14Å; M550-L577 HydrophobicContact CE-CD1 3.96Å; M550-L577 HydrophobicContact CE-CD2 4.37Å; M550-K578 WeakPolarHBondContact CA-O 3.34Å; M550-L579 HydrophobicContact CE-CD2 3.67Å; M550-L579 HydrophobicContact CG-CD2 4.02Å; M550-L579 HydrophobicContact SD-CD2 4.46Å
551K96.1Very high93.3Very high99 Ų9936.2 Ų36.243%0.4319%0.185SC..EExtended strand (participates in β ladder)trans-135.8119.7174.9-64.3178.6-176.3175.10110.4F543 L577 K578F543-K551 CarbonylContact O-C 3.48Å; F543-K551 WeakPolarHBondContact O-CA 3.27Å; K551-L577 CarbonylContact O-C 3.49Å; K551-L577 WeakPolarHBondContact O-CA 3.45Å; K551-K578 PolarHBondContact N-O 2.92Å; K551-K578 PolarHBondContact O-N 3.29Å
552L97.1Very high92.9Very high6 Ų635.9 Ų35.93%0.03118%0.184CC..EExtended strand (participates in β ladder)trans-109.8110.8172.5165.461.7000109.4F439 W458 Q542 F543 L575 I576 L577 F589F439-L552 HydrophobicContact CE2-CB 4.37Å; F439-L552 HydrophobicContact CE2-CD2 4.33Å; F439-L552 HydrophobicContact CZ-CB 4.22Å; W458-L552 HydrophobicContact CH2-CD2 3.64Å; W458-L552 HydrophobicContact CZ2-CD2 4.23Å; Q542-L552 CarbonylContact C-O 3.6Å; Q542-L552 VanDerWaalsContact CA-O 3.25Å; Q542-L552 WeakPolarHBondContact CA-O 3.31Å; F543-L552 HydrophobicContact CB-CB 4.18Å; F543-L552 HydrophobicContact CD2-CB 4.35Å; F543-L552 HydrophobicContact CD2-CD2 3.75Å; F543-L552 HydrophobicContact CD2-CG 4.02Å; F543-L552 HydrophobicContact CE2-CD2 4.24Å; F543-L552 PolarHBondContact N-O 3.19Å; F543-L552 PolarHBondContact O-N 3.36Å; L552-L575 HydrophobicContact CD1-CB 4.38Å; L552-I576 CarbonylContact C-O 3.26Å; L552-I576 WeakPolarHBondContact CA-O 3.13Å; L552-L577 HydrophobicContact CB-CD1 4.07Å; L552-L577 HydrophobicContact CD1-CB 4.19Å; L552-F589 HydrophobicContact CD1-CE1 3.79Å; L552-F589 HydrophobicContact CD1-CZ 3.6Å
553T95.8Very high92.2Very high28 Ų2838.7 Ų38.717%0.17220%0.197CC..EExtended strand (participates in β ladder)trans-105.5133.1177.9-55.70000109.9F541 Q542 L575 I576F541-T553 CarbonylContact O-C 3.57Å; F541-T553 WeakPolarHBondContact O-CA 3.3Å; Q542-T553 PolarHBondContact NE2-OG1 2.96Å; Q542-T553 VanDerWaalsContact NE2-OG1 3.15Å; T553-L575 WeakPolarHBondContact O-CA 3.4Å; T553-I576 PolarHBondContact N-O 3.38Å; T553-I576 PolarHBondContact O-N 3.4Å
554G95Very high91.3Very high0 Ų038.5 Ų38.50%020%0.197CC..EExtended strand (participates in β ladder)trans-125.3140.5176.300000112.9V540 F541V540-G554 CarbonylContact C-O 3.28Å; V540-G554 VanDerWaalsContact CA-O 3.27Å; V540-G554 WeakPolarHBondContact CA-O 3.49Å; F541-G554 PolarHBondContact N-O 3.23Å; F541-G554 PolarHBondContact O-N 3.16Å
555S93.5Very high90.6Very high16 Ų1642.2 Ų42.211%0.11221%0.213CC..EExtended strand (participates in β ladder)trans-131.7108.6170.9175.60000108.2T539 G573 K574 W780T539-S555 WeakPolarHBondContact O-CA 3.28Å; S555-G573 CarbonylContact O-C 3.49Å; S555-G573 VanDerWaalsContact O-CA 3.24Å; S555-G573 WeakPolarHBondContact O-CA 3.21Å; S555-K574 PolarHBondContact N-O 3.01Å; S555-K574 PolarHBondContact O-N 3.34Å; S555-W780 VanDerWaalsContact OG-CD1 3.24Å; S555-W780 PolarHBondContact OG-NE1 2.92Å
556L93.1Very high90.1Very high2 Ų242.6 Ų42.61%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-129138.6-169.9-62.9179000112.1F429 V538 T539 F541 L572 L575 L591F429-L556 HydrophobicContact CD1-CD1 3.93Å; F429-L556 HydrophobicContact CE1-CD1 3.3Å; F429-L556 HydrophobicContact CE2-CD1 4.27Å; F429-L556 HydrophobicContact CZ-CB 4.11Å; F429-L556 HydrophobicContact CZ-CD1 3.5Å; F429-L556 VanDerWaalsContact CZ-CD1 3.5Å; F429-L556 HydrophobicContact CZ-CG 4.47Å; V538-L556 WeakPolarHBondContact CA-O 3.24Å; T539-L556 PolarHBondContact N-O 2.97Å; T539-L556 PolarHBondContact O-N 3.19Å; F541-L556 HydrophobicContact CE1-CD1 3.83Å; F541-L556 HydrophobicContact CE1-CG 4.33Å; F541-L556 HydrophobicContact CZ-CD1 4.33Å; L556-L572 CarbonylContact C-O 3.55Å; L556-L572 WeakPolarHBondContact CA-O 3.39Å; L556-L575 HydrophobicContact CD1-CD2 4.25Å; L556-L575 HydrophobicContact CD2-CD2 4.23Å; L556-L575 HydrophobicContact CG-CD2 4.27Å; L556-L591 HydrophobicContact CD1-CD1 3.62Å
557C91.5Very high89.9Confident3 Ų340.4 Ų40.42%0.0220%0.201CC..EExtended strand (participates in β ladder)trans-118.4125.5170.8178.70000109.4F196 P537 V538 L572F196-C557 HydrophobicContact CD2-CB 4.1Å; F196-C557 HydrophobicContact CE2-CB 3.95Å; P537-C557 VanDerWaalsContact O-CA 3.26Å; P537-C557 WeakPolarHBondContact O-CA 3.39Å; P537-C557 PolarHBondContact O-SG 3.38Å; V538-C557 HydrophobicContact CG2-CB 4.35Å; C557-L572 PolarHBondContact N-O 3.27Å; C557-L572 PolarHBondContact O-N 2.83Å
558T87.9Confident89.9Confident30 Ų3036.9 Ų36.918%0.18418%0.183CC..EExtended strand (participates in β ladder)trans-94.4125.1179.654.20000110.9L425 A570L425-T558 HydrophobicContact CD1-CG2 4.41Å; L425-T558 HydrophobicContact CD2-CG2 3.8Å; T558-A570 WeakPolarHBondContact CA-O 3.18Å
559K86.5Confident89.9Confident81 Ų8136.8 Ų36.835%0.35219%0.189SC..EExtended strand (participates in β ladder)trans-117.7120.3173.2-69.4-163.1-176.7179.40110.5A569 A570 L572K559-A569 WeakPolarHBondContact O-CA 3.47Å; K559-A570 PolarHBondContact N-O 2.99Å; K559-A570 PolarHBondContact O-N 2.94Å; K559-L572 HydrophobicContact CB-CD1 4.48Å; K559-L572 HydrophobicContact CD-CD1 3.63Å; K559-L572 HydrophobicContact CG-CD1 3.91Å
560S88.7Confident89.7Confident36 Ų3632.6 Ų32.625%0.25217%0.173SC..EExtended strand (participates in β ladder)trans-108.3130.8-178.3-63.50000111.8E409 L410 C568E409-S560 WeakPolarHBondContact CA-O 3.42Å; L410-S560 PolarHBondContact N-O 3.42Å; S560-C568 CarbonylContact C-O 3.51Å; S560-C568 WeakPolarHBondContact CA-O 3.46Å
561K88.6Confident89.3Confident102 Ų10233.7 Ų33.744%0.44318%0.178SC..EExtended strand (participates in β ladder)trans-129.5139179.5-69-176.2179-178.90111.5E409 C568E409-K561 HydrophobicContact CG-CG 4.48Å; K561-C568 PolarHBondContact N-O 3.31Å; K561-C568 PolarHBondContact O-N 2.8Å
562F87.4Confident88.9Confident1 Ų131.6 Ų31.60%0.00417%0.171CC..EExtended strand (participates in β ladder)trans-79.8126.5173.2-174.5-119.8000111.4V42 L401 L404 K405 G407 M408 L410 G564 V567 I599V42-F562 HydrophobicContact CG2-CE1 4.06Å; V42-F562 HydrophobicContact CG2-CZ 3.64Å; L401-F562 HydrophobicContact CD2-CD2 4.49Å; L401-F562 HydrophobicContact CD2-CE2 3.53Å; L401-F562 HydrophobicContact CD2-CZ 3.88Å; L404-F562 HydrophobicContact CB-CD1 3.5Å; L404-F562 VanDerWaalsContact CB-CD1 3.5Å; L404-F562 HydrophobicContact CB-CD2 4.4Å; L404-F562 HydrophobicContact CB-CE1 3.59Å; L404-F562 HydrophobicContact CB-CE2 4.49Å; L404-F562 HydrophobicContact CB-CG 3.91Å; L404-F562 HydrophobicContact CB-CZ 4.09Å; L404-F562 HydrophobicContact CD1-CB 4.4Å; L404-F562 HydrophobicContact CD1-CD1 4.25Å; L404-F562 HydrophobicContact CD1-CD2 3.63Å; L404-F562 HydrophobicContact CD1-CE1 4.41Å; L404-F562 HydrophobicContact CD1-CE2 3.82Å; L404-F562 HydrophobicContact CD1-CG 3.84Å; L404-F562 HydrophobicContact CD1-CZ 4.18Å; K405-F562 WeakPolarHBondContact O-CD1 3.47Å; G407-F562 PolarHBondContact N-O 3.46Å; M408-F562 PolarHBondContact O-N 3.12Å; L410-F562 HydrophobicContact CD1-CB 4.42Å; L410-F562 HydrophobicContact CD2-CB 4.02Å; L410-F562 HydrophobicContact CG-CB 4.34Å; F562-G564 WeakPolarHBondContact CE2-O 3.3Å; F562-G564 WeakPolarHBondContact CZ-O 3.46Å; F562-V567 HydrophobicContact CD2-CG2 4.2Å; F562-I599 HydrophobicContact CD2-CD1 4.45Å; F562-I599 HydrophobicContact CE2-CD1 3.65Å
563Q82.4Confident88.4Confident80 Ų8033.4 Ų33.437%0.37419%0.191SC..  trans-113.517.4-179.5-67.6-175.5-43.400113M565 S566 C568 Y595Q563-M565 PolarHBondContact O-N 2.97Å; Q563-S566 WeakPolarHBondContact CA-O 3.49Å; Q563-S566 WeakPolarHBondContact CB-OG 3.45Å; Q563-S566 PolarHBondContact N-O 2.53Å; Q563-S566 PolarHBondContact OE1-OG 3.19Å; Q563-C568 HydrophobicContact CG-CB 4.1Å; Q563-Y595 VanDerWaalsContact OE1-CD1 3.31Å
564G79.1Confident87.9Confident3 Ų335.9 Ų35.93%0.03120%0.2CC..SBendtrans92-91.2-177.100000111V42 F562 S566 I599V42-G564 VanDerWaalsContact CG2-C 3.48Å; V42-G564 VanDerWaalsContact CG2-O 3.26Å; V42-G564 WeakPolarHBondContact CG2-O 3.38Å; F562-G564 WeakPolarHBondContact CE2-O 3.3Å; F562-G564 WeakPolarHBondContact CZ-O 3.46Å; G564-S566 VanDerWaalsContact C-N 3.27Å; G564-S566 PolarHBondContact O-N 2.83Å; G564-I599 WeakPolarHBondContact O-CD1 3.48Å
565M79.6Confident87.9Confident103 Ų10336.2 Ų36.251%0.50720%0.201SC..SBendtrans-87.10.6-180-63.9-61.1-64.600113.6V42 Q563 S598 L600V42-M565 HydrophobicContact CG1-SD 3.5Å; V42-M565 VanDerWaalsContact CG1-SD 3.5Å; Q563-M565 PolarHBondContact O-N 2.97Å; M565-S598 PolarHBondContact O-N 3.12Å; M565-L600 HydrophobicContact CE-CB 4.43Å; M565-L600 HydrophobicContact CE-CD1 3.6Å; M565-L600 HydrophobicContact CE-CG 4.16Å; M565-L600 HydrophobicContact SD-CD1 3.82Å
566S84.8Confident88Confident7 Ų737.1 Ų37.15%0.04921%0.205CC..  trans-140.5161.1177.553.60000111.7Q563 G564 A596 R597Q563-S566 WeakPolarHBondContact CA-O 3.49Å; Q563-S566 WeakPolarHBondContact CB-OG 3.45Å; Q563-S566 PolarHBondContact N-O 2.53Å; Q563-S566 PolarHBondContact OE1-OG 3.19Å; G564-S566 VanDerWaalsContact C-N 3.27Å; G564-S566 PolarHBondContact O-N 2.83Å; S566-A596 CarbonylContact C-O 3.49Å; S566-A596 WeakPolarHBondContact CA-O 3.4Å; S566-A596 VanDerWaalsContact CB-O 3.27Å; S566-A596 WeakPolarHBondContact CB-O 3.36Å; S566-R597 PolarHBondContact OG-NH1 3.5Å
567V88.4Confident88.2Confident24 Ų2437 Ų3715%0.14520%0.204CC..EExtended strand (participates in β ladder)trans-114.1128.9166.5170.90000107.8L410 F562 Y595 A596 I599L410-V567 HydrophobicContact CD1-CB 4.21Å; L410-V567 HydrophobicContact CD1-CG1 3.35Å; L410-V567 HydrophobicContact CD1-CG2 3.87Å; F562-V567 HydrophobicContact CD2-CG2 4.2Å; V567-Y595 CarbonylContact O-C 3.55Å; V567-Y595 WeakPolarHBondContact O-CA 3.28Å; V567-A596 HydrophobicContact CB-CB 4.31Å; V567-A596 PolarHBondContact N-O 2.97Å; V567-A596 PolarHBondContact O-N 2.95Å; V567-I599 HydrophobicContact CG2-CD1 4.45Å; V567-I599 HydrophobicContact CG2-CG2 4.41Å
568C90Very high88.4Confident14 Ų1439.9 Ų39.910%0.09522%0.216CC..EExtended strand (participates in β ladder)trans-98.8132.4175.6170.70000109S560 K561 Q563 T593 Y595S560-C568 CarbonylContact C-O 3.51Å; S560-C568 WeakPolarHBondContact CA-O 3.46Å; K561-C568 PolarHBondContact N-O 3.31Å; K561-C568 PolarHBondContact O-N 2.8Å; Q563-C568 HydrophobicContact CG-CB 4.1Å; C568-T593 WeakPolarHBondContact SG-CG2 3.2Å; C568-Y595 HydrophobicContact CB-CD1 3.91Å; C568-Y595 HydrophobicContact CB-CE1 3.83Å
569A90.7Very high88.9Confident28 Ų2838.5 Ų38.523%0.23121%0.208CC..EExtended strand (participates in β ladder)trans-122.1101.617300000109.3K559 A594K559-A569 WeakPolarHBondContact O-CA 3.47Å; A569-A594 PolarHBondContact N-O 3.06Å; A569-A594 PolarHBondContact O-N 2.7Å
570A91Very high89.3Confident22 Ų2235.3 Ų35.318%0.18220%0.198CC..EExtended strand (participates in β ladder)trans-83.1128.9174.900000109.9T558 K559 L572T558-A570 WeakPolarHBondContact CA-O 3.18Å; K559-A570 PolarHBondContact N-O 2.99Å; K559-A570 PolarHBondContact O-N 2.94Å; A570-L572 HydrophobicContact CB-CD2 4.2Å; A570-L572 HydrophobicContact CB-CG 4.44Å
571M88.9Confident89.5Confident22 Ų2236.7 Ų36.711%0.10820%0.201CC..EExtended strand (participates in β ladder)trans-98.487.8175.6-61.5-173.2-169.500108.7M428 F429 L591 A594M428-M571 HydrophobicContact CE-CE 4.1Å; F429-M571 HydrophobicContact CE1-SD 4.2Å; M571-L591 HydrophobicContact CB-CB 4Å; M571-L591 HydrophobicContact SD-CB 3.83Å; M571-L591 HydrophobicContact SD-CD1 3.46Å; M571-L591 WeakPolarHBondContact SD-CD1 3.16Å; M571-L591 HydrophobicContact SD-CG 4.29Å; M571-A594 HydrophobicContact CE-CB 4.44Å
572L87.6Confident89.7Confident56 Ų5633.4 Ų33.429%0.29319%0.187SC..EExtended strand (participates in β ladder)trans-83.1139.8-177.7-56-179.9000109.9L556 C557 K559 A570L556-L572 CarbonylContact C-O 3.55Å; L556-L572 WeakPolarHBondContact CA-O 3.39Å; C557-L572 PolarHBondContact N-O 3.27Å; C557-L572 PolarHBondContact O-N 2.83Å; K559-L572 HydrophobicContact CB-CD1 4.48Å; K559-L572 HydrophobicContact CD-CD1 3.63Å; K559-L572 HydrophobicContact CG-CD1 3.91Å; A570-L572 HydrophobicContact CB-CD2 4.2Å; A570-L572 HydrophobicContact CB-CG 4.44Å
573G85.4Confident90Very high44 Ų4438.9 Ų38.945%0.45423%0.225SC..EExtended strand (participates in β ladder)trans139.5-160.6175.300000112.7S555S555-G573 CarbonylContact O-C 3.49Å; S555-G573 VanDerWaalsContact O-CA 3.24Å; S555-G573 WeakPolarHBondContact O-CA 3.21Å
574K85.2Confident90.5Very high80 Ų8038.7 Ų38.735%0.34823%0.227SC..EExtended strand (participates in β ladder)trans-132.6134.5-172.2-169177.2-178.2-176.50110.7S555 I576 H588S555-K574 PolarHBondContact N-O 3.01Å; S555-K574 PolarHBondContact O-N 3.34Å; K574-I576 HydrophobicContact CD-CD1 3.97Å; K574-I576 HydrophobicContact CD-CG1 4.12Å; K574-I576 HydrophobicContact CG-CD1 4.37Å; K574-I576 HydrophobicContact CG-CG1 3.99Å; K574-H588 WeakPolarHBondContact CE-ND1 3.19Å; K574-H588 PolarHBondContact NZ-ND1 2.85Å
575L95.1Very high91.3Very high6 Ų638.9 Ų38.93%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-112137.3167.6-58.4178.4000108.8F541 L552 T553 L556 H588 F589 L591F541-L575 HydrophobicContact CE1-CD2 4.3Å; F541-L575 HydrophobicContact CE2-CD2 4.23Å; F541-L575 HydrophobicContact CZ-CD2 3.55Å; L552-L575 HydrophobicContact CD1-CB 4.38Å; T553-L575 WeakPolarHBondContact O-CA 3.4Å; L556-L575 HydrophobicContact CD1-CD2 4.25Å; L556-L575 HydrophobicContact CD2-CD2 4.23Å; L556-L575 HydrophobicContact CG-CD2 4.27Å; L575-H588 WeakPolarHBondContact O-CA 3.27Å; L575-F589 HydrophobicContact CB-CD1 3.86Å; L575-F589 HydrophobicContact CB-CD2 3.93Å; L575-F589 HydrophobicContact CB-CE1 3.64Å; L575-F589 HydrophobicContact CB-CE2 3.73Å; L575-F589 HydrophobicContact CB-CG 4Å; L575-F589 HydrophobicContact CB-CZ 3.59Å; L575-F589 WeakPolarHBondContact CB-O 3.28Å; L575-F589 HydrophobicContact CD1-CD2 3.69Å; L575-F589 HydrophobicContact CD1-CE2 3.28Å; L575-F589 HydrophobicContact CD1-CZ 3.86Å; L575-F589 HydrophobicContact CG-CD2 4.41Å; L575-F589 HydrophobicContact CG-CE2 4.14Å; L575-F589 HydrophobicContact CG-CZ 4.36Å; L575-F589 PolarHBondContact N-O 3.39Å; L575-F589 PolarHBondContact O-N 2.87Å; L575-L591 HydrophobicContact CD1-CD1 4.41Å; L575-L591 HydrophobicContact CD1-CD2 3.73Å; L575-L591 HydrophobicContact CD1-CG 3.75Å
576I95.8Very high92.1Very high35 Ų3536.5 Ų36.518%0.17921%0.214CC..EExtended strand (participates in β ladder)trans-133.4113.1179.3-50.9179.7000108.4L552 T553 K574 E586 Y587L552-I576 CarbonylContact C-O 3.26Å; L552-I576 WeakPolarHBondContact CA-O 3.13Å; T553-I576 PolarHBondContact N-O 3.38Å; T553-I576 PolarHBondContact O-N 3.4Å; K574-I576 HydrophobicContact CD-CD1 3.97Å; K574-I576 HydrophobicContact CD-CG1 4.12Å; K574-I576 HydrophobicContact CG-CD1 4.37Å; K574-I576 HydrophobicContact CG-CG1 3.99Å; I576-E586 HydrophobicContact CG2-CB 4.23Å; I576-E586 HydrophobicContact CG2-CG 4.23Å; I576-Y587 WeakPolarHBondContact CA-O 3.33Å
577L97.5Very high92.7Very high0 Ų036.1 Ų36.10%021%0.212CC..EExtended strand (participates in β ladder)trans-94.8124.3166.8169.665.7000108.8F439 I442 F455 M550 K551 L552 L579 E586 Y587 F589F439-L577 HydrophobicContact CE2-CD1 3.75Å; F439-L577 HydrophobicContact CE2-CD2 4.36Å; F439-L577 HydrophobicContact CZ-CD1 3.79Å; I442-L577 HydrophobicContact CD1-CD2 4.03Å; F455-L577 HydrophobicContact CD2-CD2 3.53Å; F455-L577 HydrophobicContact CE2-CB 4.28Å; F455-L577 HydrophobicContact CE2-CD2 3.75Å; M550-L577 HydrophobicContact CE-CD1 3.96Å; M550-L577 HydrophobicContact CE-CD2 4.37Å; K551-L577 CarbonylContact O-C 3.49Å; K551-L577 WeakPolarHBondContact O-CA 3.45Å; L552-L577 HydrophobicContact CB-CD1 4.07Å; L552-L577 HydrophobicContact CD1-CB 4.19Å; L577-L579 HydrophobicContact CD1-CD2 3.99Å; L577-L579 HydrophobicContact CD2-CD2 3.99Å; L577-L579 HydrophobicContact CG-CD2 3.87Å; L577-E586 CarbonylContact O-C 3.55Å; L577-E586 VanDerWaalsContact O-CA 3.28Å; L577-E586 WeakPolarHBondContact O-CA 3.5Å; L577-Y587 PolarHBondContact N-O 3.46Å; L577-Y587 PolarHBondContact O-N 2.82Å; L577-F589 HydrophobicContact CB-CE1 4.2Å
578K96.8Very high93Very high64 Ų6436.5 Ų36.528%0.27821%0.212SC..EExtended strand (participates in β ladder)trans-112.1130.6177.8-177.4169.4174.6160.50110.1M550 K551 D584 E585 E586M550-K578 WeakPolarHBondContact CA-O 3.34Å; K551-K578 PolarHBondContact N-O 2.92Å; K551-K578 PolarHBondContact O-N 3.29Å; K578-D584 WeakPolarHBondContact CE-OD1 3.34Å; K578-D584 WeakPolarHBondContact CE-OD2 2.99Å; K578-D584 IonicContact NZ-OD1 2.88Å; K578-D584 PolarHBondContact NZ-OD1 2.57Å; K578-D584 IonicContact NZ-OD2 3.11Å; K578-D584 PolarHBondContact NZ-OD2 3.05Å; K578-E585 CarbonylContact C-O 3.37Å; K578-E585 WeakPolarHBondContact CA-O 3.4Å; K578-E586 HydrophobicContact CB-CG 4.28Å; K578-E586 HydrophobicContact CG-CG 4.2Å
579L97.4Very high93.3Very high0 Ų036.3 Ų36.30%021%0.21CC..EExtended strand (participates in β ladder)trans-111.798.3-178.6-53.1-177000110.2I442 R451 M550 L577 E581 H582 D584 E585 Y587I442-L579 HydrophobicContact CG2-CD1 3.96Å; I442-L579 HydrophobicContact CG2-CD2 4.34Å; R451-L579 HydrophobicContact CG-CD1 4.18Å; M550-L579 HydrophobicContact CE-CD2 3.67Å; M550-L579 HydrophobicContact CG-CD2 4.02Å; M550-L579 HydrophobicContact SD-CD2 4.46Å; L577-L579 HydrophobicContact CD1-CD2 3.99Å; L577-L579 HydrophobicContact CD2-CD2 3.99Å; L577-L579 HydrophobicContact CG-CD2 3.87Å; L579-E581 PolarHBondContact O-N 3.45Å; L579-H582 HydrophobicContact CB-CB 4.29Å; L579-H582 PolarHBondContact O-N 2.92Å; L579-D584 WeakPolarHBondContact O-CA 3.5Å; L579-D584 PolarHBondContact O-N 3.48Å; L579-E585 HydrophobicContact CB-CB 4.41Å; L579-E585 PolarHBondContact N-O 3.33Å; L579-E585 PolarHBondContact O-N 3.26Å; L579-Y587 HydrophobicContact CD1-CD2 4.25Å; L579-Y587 HydrophobicContact CD1-CE2 3.56Å; L579-Y587 HydrophobicContact CG-CD2 4.47Å; L579-Y587 HydrophobicContact CG-CE2 4.21Å
580G94.3Very high93.4Very high15 Ų1536.7 Ų36.716%0.15521%0.21CC..G310 helixtrans-64.9-37.3-17600000113.8Q549 H582 S583Q549-G580 WeakPolarHBondContact O-CA 3.27Å; Q549-G580 PolarHBondContact O-N 2.84Å; G580-H582 PolarHBondContact O-N 2.86Å; G580-H582 VanDerWaalsContact O-N 3.12Å; G580-S583 PolarHBondContact O-N 3.11Å
581E93.1Very high93.5Very high65 Ų6536.4 Ų36.430%0.30421%0.206SC..G310 helixtrans-63.5-18176.8-65.4178.9166.600113.2T443 Q549 L579T443-E581 WeakPolarHBondContact CB-OE2 3.21Å; T443-E581 WeakPolarHBondContact CG2-OE2 3.35Å; T443-E581 PolarHBondContact OG1-OE2 3.49Å; Q549-E581 HydrophobicContact CB-CG 4.19Å; Q549-E581 HydrophobicContact CG-CG 4.19Å; L579-E581 PolarHBondContact O-N 3.45Å
582H93.8Very high93.7Very high32 Ų3235.5 Ų35.515%0.14820%0.202CC..G310 helixtrans-112.446.2-179.1-65.1-72000112.1T443 Y445 R451 L579 G580 D584 E585T443-H582 PolarHBondContact O-NE2 2.93Å; T443-H582 PolarHBondContact OG1-CD2 2.85Å; T443-H582 VanDerWaalsContact OG1-CD2 3.23Å; T443-H582 PolarHBondContact OG1-NE2 3.21Å; Y445-H582 PolarHBondContact O-CE1 2.83Å; R451-H582 PolarHBondContact NH1-CE1 3.41Å; R451-H582 PolarHBondContact NH1-ND1 3.43Å; L579-H582 HydrophobicContact CB-CB 4.29Å; L579-H582 PolarHBondContact O-N 2.92Å; G580-H582 PolarHBondContact O-N 2.86Å; G580-H582 VanDerWaalsContact O-N 3.12Å; H582-D584 VanDerWaalsContact C-N 3.28Å; H582-D584 PolarHBondContact O-N 2.87Å; H582-E585 HydrophobicContact CB-CB 4.09Å; H582-E585 WeakPolarHBondContact O-CB 3.22Å; H582-E585 PolarHBondContact O-N 2.92Å
583S92.8Very high93.9Very high117 Ų11733.8 Ų33.882%0.81819%0.194SC*.THydrogen-bonded Turntrans55.243.2177.8-53.60000112.9G580 E585G580-S583 PolarHBondContact O-N 3.11Å; S583-E585 VanDerWaalsContact C-N 3.29Å; S583-E585 PolarHBondContact O-N 3.11Å
584D92.9Very high94.2Very high76 Ų7632.3 Ų32.341%0.40618%0.177SC..THydrogen-bonded Turntrans58.638.4179.4-77.5-17.1000113.2K578 L579 H582 E586 Q617K578-D584 WeakPolarHBondContact CE-OD1 3.34Å; K578-D584 WeakPolarHBondContact CE-OD2 2.99Å; K578-D584 IonicContact NZ-OD1 2.88Å; K578-D584 PolarHBondContact NZ-OD1 2.57Å; K578-D584 IonicContact NZ-OD2 3.11Å; K578-D584 PolarHBondContact NZ-OD2 3.05Å; L579-D584 WeakPolarHBondContact O-CA 3.5Å; L579-D584 PolarHBondContact O-N 3.48Å; H582-D584 VanDerWaalsContact C-N 3.28Å; H582-D584 PolarHBondContact O-N 2.87Å; D584-E586 PolarHBondContact O-N 3.06Å; D584-Q617 PolarHBondContact O-NE2 3.37Å
585E95.7Very high94.5Very high7 Ų729.7 Ų29.73%0.03317%0.165CC..EExtended strand (participates in β ladder)trans-59.9131.8173.1-175.3177.7131.600111.1R451 K578 L579 H582 S583 Y587 C615 Q617 T618R451-E585 WeakPolarHBondContact CD-OE1 3.28Å; R451-E585 IonicContact CZ-OE1 4Å; R451-E585 IonicContact CZ-OE2 3.86Å; R451-E585 IonicContact NE-OE1 3.49Å; R451-E585 PolarHBondContact NE-OE1 3.19Å; R451-E585 IonicContact NE-OE2 3.43Å; R451-E585 PolarHBondContact NE-OE2 2.85Å; R451-E585 IonicContact NH2-OE1 2.79Å; R451-E585 IonicContact NH2-OE2 3.36Å; R451-E585 PolarHBondContact NH2-OE2 2.85Å; K578-E585 CarbonylContact C-O 3.37Å; K578-E585 WeakPolarHBondContact CA-O 3.4Å; L579-E585 HydrophobicContact CB-CB 4.41Å; L579-E585 PolarHBondContact N-O 3.33Å; L579-E585 PolarHBondContact O-N 3.26Å; H582-E585 HydrophobicContact CB-CB 4.09Å; H582-E585 WeakPolarHBondContact O-CB 3.22Å; H582-E585 PolarHBondContact O-N 2.92Å; S583-E585 VanDerWaalsContact C-N 3.29Å; S583-E585 PolarHBondContact O-N 3.11Å; E585-Y587 HydrophobicContact CG-CE2 3.92Å; E585-Y587 WeakPolarHBondContact OE1-CE2 3.38Å; E585-Y587 PolarHBondContact OE1-OH 3.15Å; E585-C615 WeakPolarHBondContact CG-SG 3.36Å; E585-Q617 HydrophobicContact CG-CB 4.38Å; E585-T618 HydrophobicContact CG-CG2 3.99Å; E585-T618 WeakPolarHBondContact OE2-CG2 3.35Å
586E96.6Very high94.2Very high52 Ų5230.4 Ų30.424%0.24317%0.172CC..EExtended strand (participates in β ladder)trans-118.5135.8-174.2-67.8-174.2-178.500111.7I576 L577 K578 D584 H588 C615 Q617I576-E586 HydrophobicContact CG2-CB 4.23Å; I576-E586 HydrophobicContact CG2-CG 4.23Å; L577-E586 CarbonylContact O-C 3.55Å; L577-E586 VanDerWaalsContact O-CA 3.28Å; L577-E586 WeakPolarHBondContact O-CA 3.5Å; K578-E586 HydrophobicContact CB-CG 4.28Å; K578-E586 HydrophobicContact CG-CG 4.2Å; D584-E586 PolarHBondContact O-N 3.06Å; E586-H588 IonicContact OE2-CE1 2.77Å; E586-H588 PolarHBondContact OE2-CE1 3.42Å; E586-H588 VanDerWaalsContact OE2-CE1 3.25Å; E586-H588 IonicContact OE2-NE2 3.66Å; E586-C615 WeakPolarHBondContact O-CA 3.47Å; E586-C615 PolarHBondContact O-SG 3.28Å; E586-Q617 VanDerWaalsContact N-CD 3.32Å; E586-Q617 PolarHBondContact O-OE1 2.9Å
587Y97.8Very high93.8Very high0 Ų031.8 Ų31.80%018%0.175CC..EExtended strand (participates in β ladder)trans-112.8115.8173-67.6-106.5000108.1R451 M452 F455 I576 L577 L579 E585 F589 C615R451-Y587 WeakPolarHBondContact CB-OH 3.26Å; M452-Y587 HydrophobicContact CB-CE1 4.42Å; M452-Y587 HydrophobicContact CE-CD1 3.91Å; M452-Y587 HydrophobicContact CE-CE1 3.62Å; M452-Y587 HydrophobicContact SD-CD1 4.23Å; M452-Y587 HydrophobicContact SD-CE1 3.9Å; F455-Y587 HydrophobicContact CB-CD1 4.13Å; F455-Y587 HydrophobicContact CB-CE1 3.97Å; F455-Y587 AromaticContact CD1-CD1 3.82Å; F455-Y587 HydrophobicContact CD1-CD1 3.82Å; F455-Y587 HydrophobicContact CD1-CE1 4.37Å; F455-Y587 HydrophobicContact CD2-CD1 4.07Å; F455-Y587 HydrophobicContact CD2-CG 4.18Å; F455-Y587 HydrophobicContact CE1-CD1 4.33Å; F455-Y587 HydrophobicContact CE2-CG 4.41Å; F455-Y587 AromaticContact CG-CD1 3.7Å; F455-Y587 HydrophobicContact CG-CD1 3.7Å; F455-Y587 HydrophobicContact CG-CE1 4.07Å; F455-Y587 HydrophobicContact CG-CG 4.28Å; I576-Y587 WeakPolarHBondContact CA-O 3.33Å; L577-Y587 PolarHBondContact N-O 3.46Å; L577-Y587 PolarHBondContact O-N 2.82Å; L579-Y587 HydrophobicContact CD1-CD2 4.25Å; L579-Y587 HydrophobicContact CD1-CE2 3.56Å; L579-Y587 HydrophobicContact CG-CD2 4.47Å; L579-Y587 HydrophobicContact CG-CE2 4.21Å; E585-Y587 HydrophobicContact CG-CE2 3.92Å; E585-Y587 WeakPolarHBondContact OE1-CE2 3.38Å; E585-Y587 PolarHBondContact OE1-OH 3.15Å; Y587-F589 WeakPolarHBondContact O-CD1 3.41Å; Y587-C615 HydrophobicContact CD1-CB 4.26Å; Y587-C615 HydrophobicContact CE1-CB 4.22Å
588H95.4Very high93.1Very high31 Ų3133.9 Ų33.914%0.14419%0.19CC..EExtended strand (participates in β ladder)trans-99.7129.4175.5-53.5-84.9000109.8K574 L575 E586 V613 T614 P616K574-H588 WeakPolarHBondContact CE-ND1 3.19Å; K574-H588 PolarHBondContact NZ-ND1 2.85Å; L575-H588 WeakPolarHBondContact O-CA 3.27Å; E586-H588 IonicContact OE2-CE1 2.77Å; E586-H588 PolarHBondContact OE2-CE1 3.42Å; E586-H588 VanDerWaalsContact OE2-CE1 3.25Å; E586-H588 IonicContact OE2-NE2 3.66Å; H588-V613 WeakPolarHBondContact O-CA 3.23Å; H588-T614 PolarHBondContact N-O 3.49Å; H588-T614 PolarHBondContact O-N 3.33Å; H588-P616 VanDerWaalsContact CD2-CD 3.49Å; H588-P616 WeakPolarHBondContact CD2-CD 3.38Å
589F95.9Very high92.3Very high11 Ų1132 Ų325%0.04818%0.183CC..EExtended strand (participates in β ladder)trans-155.8174.6-176.564.3-74.2000111.9F455 W458 Y459 L552 L575 L577 Y587 V613F455-F589 HydrophobicContact CE2-CD1 4.14Å; F455-F589 AromaticContact CE2-CE1 3.85Å; F455-F589 HydrophobicContact CE2-CE1 3.85Å; F455-F589 HydrophobicContact CE2-CZ 4.14Å; F455-F589 HydrophobicContact CZ-CB 4.37Å; F455-F589 AromaticContact CZ-CD1 3.53Å; F455-F589 HydrophobicContact CZ-CD1 3.53Å; F455-F589 HydrophobicContact CZ-CD2 4.08Å; F455-F589 AromaticContact CZ-CE1 3.67Å; F455-F589 HydrophobicContact CZ-CE1 3.67Å; F455-F589 HydrophobicContact CZ-CE2 4.17Å; F455-F589 AromaticContact CZ-CG 3.76Å; F455-F589 HydrophobicContact CZ-CG 3.76Å; F455-F589 AromaticContact CZ-CZ 3.98Å; F455-F589 HydrophobicContact CZ-CZ 3.98Å; W458-F589 HydrophobicContact CH2-CZ 4.47Å; W458-F589 HydrophobicContact CZ3-CZ 4.28Å; Y459-F589 AromaticContact CD2-CD2 3.81Å; Y459-F589 HydrophobicContact CD2-CD2 3.81Å; Y459-F589 AromaticContact CD2-CE2 3.78Å; Y459-F589 HydrophobicContact CD2-CE2 3.78Å; Y459-F589 AromaticContact CE2-CD2 3.57Å; Y459-F589 HydrophobicContact CE2-CD2 3.57Å; Y459-F589 AromaticContact CE2-CE2 3.82Å; Y459-F589 HydrophobicContact CE2-CE2 3.82Å; L552-F589 HydrophobicContact CD1-CE1 3.79Å; L552-F589 HydrophobicContact CD1-CZ 3.6Å; L575-F589 HydrophobicContact CB-CD1 3.86Å; L575-F589 HydrophobicContact CB-CD2 3.93Å; L575-F589 HydrophobicContact CB-CE1 3.64Å; L575-F589 HydrophobicContact CB-CE2 3.73Å; L575-F589 HydrophobicContact CB-CG 4Å; L575-F589 HydrophobicContact CB-CZ 3.59Å; L575-F589 WeakPolarHBondContact CB-O 3.28Å; L575-F589 HydrophobicContact CD1-CD2 3.69Å; L575-F589 HydrophobicContact CD1-CE2 3.28Å; L575-F589 HydrophobicContact CD1-CZ 3.86Å; L575-F589 HydrophobicContact CG-CD2 4.41Å; L575-F589 HydrophobicContact CG-CE2 4.14Å; L575-F589 HydrophobicContact CG-CZ 4.36Å; L575-F589 PolarHBondContact N-O 3.39Å; L575-F589 PolarHBondContact O-N 2.87Å; L577-F589 HydrophobicContact CB-CE1 4.2Å; Y587-F589 WeakPolarHBondContact O-CD1 3.41Å; F589-V613 HydrophobicContact CB-CB 4.43Å; F589-V613 HydrophobicContact CB-CG1 4.38Å; F589-V613 HydrophobicContact CB-CG2 3.91Å
590S92.4Very high91.2Very high35 Ų3534.8 Ų34.825%0.24520%0.197CC..  trans-133.6174.5178.654.50000111.2Y459 V611Y459-S590 PolarHBondContact OH-O 2.78Å; S590-V611 WeakPolarHBondContact O-CG1 3.09Å
591L93.3Very high90.3Very high16 Ų1639 Ų398%0.08422%0.22CC..PPolyproline II helixtrans-100.3146.1173.2-63.4178.6000109.9F429 Y432 Y459 F463 L556 M571 L575F429-L591 HydrophobicContact CD1-CD1 4.36Å; F429-L591 HydrophobicContact CE1-CD1 4.01Å; Y432-L591 HydrophobicContact CE2-CD1 4.04Å; Y459-L591 HydrophobicContact CE2-CD2 4.33Å; F463-L591 HydrophobicContact CE1-CD2 4.37Å; F463-L591 HydrophobicContact CZ-CD2 4.46Å; L556-L591 HydrophobicContact CD1-CD1 3.62Å; M571-L591 HydrophobicContact CB-CB 4Å; M571-L591 HydrophobicContact SD-CB 3.83Å; M571-L591 HydrophobicContact SD-CD1 3.46Å; M571-L591 WeakPolarHBondContact SD-CD1 3.16Å; M571-L591 HydrophobicContact SD-CG 4.29Å; L575-L591 HydrophobicContact CD1-CD1 4.41Å; L575-L591 HydrophobicContact CD1-CD2 3.73Å; L575-L591 HydrophobicContact CD1-CG 3.75Å
592P93.7Very high89.6Confident4 Ų440.1 Ų40.13%0.02623%0.231CC..PPolyproline II helixtrans-65.3159.9174.929.7-35.9000111.3F463 F607 V611 F626F463-P592 HydrophobicContact CD1-CG 4.32Å; F463-P592 HydrophobicContact CE1-CG 3.64Å; F463-P592 HydrophobicContact CZ-CG 3.88Å; P592-F607 HydrophobicContact CB-CB 4.22Å; P592-F607 HydrophobicContact CB-CD1 4.22Å; P592-F607 HydrophobicContact CG-CB 4.13Å; P592-F607 HydrophobicContact CG-CD1 3.62Å; P592-F607 HydrophobicContact CG-CE1 4.21Å; P592-F607 HydrophobicContact CG-CG 3.98Å; P592-V611 HydrophobicContact CB-CG2 4.06Å; P592-F626 HydrophobicContact CB-CD1 4.5Å; P592-F626 HydrophobicContact CB-CD2 3.68Å; P592-F626 HydrophobicContact CB-CE2 3.89Å; P592-F626 HydrophobicContact CB-CG 4.01Å; P592-F626 HydrophobicContact CB-CZ 4.39Å; P592-F626 HydrophobicContact CG-CD2 4.19Å; P592-F626 HydrophobicContact CG-CE1 4.27Å; P592-F626 HydrophobicContact CG-CE2 3.95Å; P592-F626 HydrophobicContact CG-CG 4.47Å; P592-F626 HydrophobicContact CG-CZ 3.99Å
593T92.1Very high89Confident20 Ų2040.1 Ų40.112%0.12323%0.234CC..EExtended strand (participates in β ladder)trans-70.1134.9170.4-58.50000109.4C568 Y595 F607 G608 D609C568-T593 WeakPolarHBondContact SG-CG2 3.2Å; T593-Y595 HydrophobicContact CG2-CD2 4.22Å; T593-Y595 HydrophobicContact CG2-CE1 4.26Å; T593-Y595 HydrophobicContact CG2-CE2 3.6Å; T593-F607 WeakPolarHBondContact O-CA 3.34Å; T593-G608 PolarHBondContact N-O 2.79Å; T593-G608 PolarHBondContact O-N 3.39Å; T593-D609 WeakPolarHBondContact CB-OD2 3.36Å; T593-D609 PolarHBondContact OG1-OD2 3.36Å
594A91.7Very high88.6Confident13 Ų1337.7 Ų37.711%0.10721%0.207CC..EExtended strand (participates in β ladder)trans-98.5132.5174.200000110.7A569 M571 V605 F607A569-A594 PolarHBondContact N-O 3.06Å; A569-A594 PolarHBondContact O-N 2.7Å; M571-A594 HydrophobicContact CE-CB 4.44Å; A594-V605 HydrophobicContact CB-CG1 4.46Å; A594-F607 HydrophobicContact CB-CD1 4.09Å; A594-F607 HydrophobicContact CB-CE1 3.91Å
595Y90Very high88.3Confident24 Ų2434.9 Ų34.99%0.09419%0.193CC..EExtended strand (participates in β ladder)trans-114116.1175.8-62.4-91.1000109.1Q563 V567 C568 T593 R597 V605 E606 D609 T628Q563-Y595 VanDerWaalsContact OE1-CD1 3.31Å; V567-Y595 CarbonylContact O-C 3.55Å; V567-Y595 WeakPolarHBondContact O-CA 3.28Å; C568-Y595 HydrophobicContact CB-CD1 3.91Å; C568-Y595 HydrophobicContact CB-CE1 3.83Å; T593-Y595 HydrophobicContact CG2-CD2 4.22Å; T593-Y595 HydrophobicContact CG2-CE1 4.26Å; T593-Y595 HydrophobicContact CG2-CE2 3.6Å; Y595-R597 PolarHBondContact O-N 3.48Å; Y595-V605 WeakPolarHBondContact O-CA 3.45Å; Y595-E606 WeakPolarHBondContact CB-O 3.34Å; Y595-E606 PolarHBondContact N-O 3.07Å; Y595-E606 PolarHBondContact O-N 3.46Å; Y595-D609 PolarHBondContact OH-OD1 3.34Å; Y595-D609 PolarHBondContact OH-OD2 3.25Å; Y595-D609 VanDerWaalsContact OH-OD2 3.12Å; Y595-T628 HydrophobicContact CD2-CG2 4.26Å; Y595-T628 HydrophobicContact CE2-CG2 4.12Å
596A89.1Confident88Confident22 Ų2234.7 Ų34.718%0.18219%0.191CC..EExtended strand (participates in β ladder)trans-80.2105165.100000108V472 S566 V567 I599V472-A596 HydrophobicContact CG1-CB 4.48Å; S566-A596 CarbonylContact C-O 3.49Å; S566-A596 WeakPolarHBondContact CA-O 3.4Å; S566-A596 VanDerWaalsContact CB-O 3.27Å; S566-A596 WeakPolarHBondContact CB-O 3.36Å; V567-A596 HydrophobicContact CB-CB 4.31Å; V567-A596 PolarHBondContact N-O 2.97Å; V567-A596 PolarHBondContact O-N 2.95Å; A596-I599 HydrophobicContact CB-CG2 4.47Å; A596-I599 WeakPolarHBondContact O-CG2 3.15Å
597R87Confident87.8Confident63 Ų6332.2 Ų32.224%0.23818%0.18CC..EExtended strand (participates in β ladder)trans-88.8166.3178.5-61.8-60.4-167175.72.5110.4S566 Y595 I599 P603 W604 E606S566-R597 PolarHBondContact OG-NH1 3.5Å; Y595-R597 PolarHBondContact O-N 3.48Å; R597-I599 VanDerWaalsContact C-N 3.27Å; R597-I599 PolarHBondContact O-N 2.86Å; R597-P603 VanDerWaalsContact O-CA 3.27Å; R597-P603 WeakPolarHBondContact O-CA 3.49Å; R597-W604 HydrophobicContact CB-CD2 3.88Å; R597-W604 HydrophobicContact CB-CG 4.28Å; R597-W604 HydrophobicContact CB-CH2 4.24Å; R597-W604 HydrophobicContact CB-CZ2 3.55Å; R597-W604 HydrophobicContact CG-CD2 4.34Å; R597-W604 HydrophobicContact CG-CH2 3.84Å; R597-W604 HydrophobicContact CG-CZ2 3.63Å; R597-W604 HydrophobicContact CG-CZ3 4.3Å; R597-W604 PolarHBondContact N-O 3.15Å; R597-W604 PolarHBondContact O-N 3.3Å; R597-E606 HydrophobicContact CG-CB 4.05Å; R597-E606 IonicContact CZ-OE2 2.81Å; R597-E606 IonicContact NE-OE2 3.94Å; R597-E606 PolarHBondContact NE-OE2 3.3Å; R597-E606 IonicContact NH2-OE2 2.83Å; R597-E606 PolarHBondContact NH2-OE2 3.34Å
598S82.5Confident87.5Confident44 Ų4432.2 Ų32.231%0.30818%0.18SC..  trans57.533.9169.7-66.90000115.1M565 L600 T601 V602 W604M565-S598 PolarHBondContact O-N 3.12Å; S598-L600 PolarHBondContact O-N 3.39Å; S598-T601 WeakPolarHBondContact CB-OG1 3.49Å; S598-T601 CarbonylContact O-C 3.51Å; S598-T601 PolarHBondContact O-N 2.87Å; S598-T601 PolarHBondContact O-OG1 2.91Å; S598-V602 WeakPolarHBondContact CB-O 3.22Å; S598-W604 PolarHBondContact OG-NE1 2.99Å
599I81.4Confident87.2Confident25 Ų2534.3 Ų34.313%0.12819%0.192CC..THydrogen-bonded Turntrans-61.5-11.8-174.867.4-179.1000115.4L401 F562 G564 V567 A596 R597L401-I599 HydrophobicContact CD1-CD1 4.24Å; L401-I599 HydrophobicContact CD1-CG1 4.28Å; L401-I599 HydrophobicContact CD2-CD1 3.67Å; F562-I599 HydrophobicContact CD2-CD1 4.45Å; F562-I599 HydrophobicContact CE2-CD1 3.65Å; G564-I599 WeakPolarHBondContact O-CD1 3.48Å; V567-I599 HydrophobicContact CG2-CD1 4.45Å; V567-I599 HydrophobicContact CG2-CG2 4.41Å; A596-I599 HydrophobicContact CB-CG2 4.47Å; A596-I599 WeakPolarHBondContact O-CG2 3.15Å; R597-I599 VanDerWaalsContact C-N 3.27Å; R597-I599 PolarHBondContact O-N 2.86Å
600L73.8Confident87Confident58 Ų5840.9 Ų40.930%0.30422%0.221SC..THydrogen-bonded Turntrans-91.8-7.8173.7-72.6-176.7000113.6V42 L398 L401 M565 S598V42-L600 HydrophobicContact CG1-CD1 3.91Å; L398-L600 HydrophobicContact CD2-CD2 3.67Å; L401-L600 HydrophobicContact CD1-CD2 3.17Å; L401-L600 HydrophobicContact CD1-CG 4.04Å; M565-L600 HydrophobicContact CE-CB 4.43Å; M565-L600 HydrophobicContact CE-CD1 3.6Å; M565-L600 HydrophobicContact CE-CG 4.16Å; M565-L600 HydrophobicContact SD-CD1 3.82Å; S598-L600 PolarHBondContact O-N 3.39Å
601T75.6Confident87.1Confident105 Ų10539.3 Ų39.364%0.64421%0.209SC*.SBendtrans-130.2-126.2-175.556.20000108.3S598 P603S598-T601 WeakPolarHBondContact CB-OG1 3.49Å; S598-T601 CarbonylContact O-C 3.51Å; S598-T601 PolarHBondContact O-N 2.87Å; S598-T601 PolarHBondContact O-OG1 2.91Å; T601-P603 WeakPolarHBondContact O-CD 3.35Å
602V78.4Confident87.1Confident88 Ų8841 Ų4153%0.53322%0.223SC..SBendtrans-92.6112171.7-175.80000108.2I471 S598I471-V602 HydrophobicContact CD1-CG1 4.14Å; I471-V602 HydrophobicContact CG1-CG1 3.87Å; S598-V602 WeakPolarHBondContact CB-O 3.22Å
603P81.3Confident87.2Confident32 Ų3240.9 Ų40.921%0.20822%0.222CC..  trans-70.9137.9-178.929.7-34.8000110.9I471 V472 R597 T601I471-P603 HydrophobicContact CG2-CG 4.04Å; V472-P603 HydrophobicContact CB-CB 4.21Å; V472-P603 HydrophobicContact CB-CG 4.47Å; V472-P603 PolarHBondContact N-O 3.01Å; V472-P603 VanDerWaalsContact N-O 3.13Å; R597-P603 VanDerWaalsContact O-CA 3.27Å; R597-P603 WeakPolarHBondContact O-CA 3.49Å; T601-P603 WeakPolarHBondContact O-CD 3.35Å
604W83.9Confident87.5Confident66 Ų6642 Ų4225%0.2523%0.229CC..EExtended strand (participates in β ladder)trans-133.3151.4176.962-84.2000110.8R597 S598 E606 L636 H637R597-W604 HydrophobicContact CB-CD2 3.88Å; R597-W604 HydrophobicContact CB-CG 4.28Å; R597-W604 HydrophobicContact CB-CH2 4.24Å; R597-W604 HydrophobicContact CB-CZ2 3.55Å; R597-W604 HydrophobicContact CG-CD2 4.34Å; R597-W604 HydrophobicContact CG-CH2 3.84Å; R597-W604 HydrophobicContact CG-CZ2 3.63Å; R597-W604 HydrophobicContact CG-CZ3 4.3Å; R597-W604 PolarHBondContact N-O 3.15Å; R597-W604 PolarHBondContact O-N 3.3Å; S598-W604 PolarHBondContact OG-NE1 2.99Å; W604-E606 HydrophobicContact CE3-CB 4.25Å; W604-E606 HydrophobicContact CH2-CB 4Å; W604-E606 HydrophobicContact CH2-CG 4.21Å; W604-E606 HydrophobicContact CZ3-CB 3.53Å; W604-E606 HydrophobicContact CZ3-CG 3.95Å; W604-L636 HydrophobicContact CH2-CD1 4.4Å; W604-L636 HydrophobicContact CH2-CD2 3.85Å; W604-L636 HydrophobicContact CZ3-CD1 4.48Å; W604-L636 HydrophobicContact CZ3-CD2 4.38Å; W604-H637 AromaticContact CE3-CE1 3.96Å; W604-H637 AromaticContact CZ3-CE1 3.88Å
605V87.2Confident87.7Confident17 Ų1741.5 Ų41.510%0.10323%0.225CC..EExtended strand (participates in β ladder)trans-88.9130.91801750000110.2V472 A594 Y595 F607 H637V472-V605 HydrophobicContact CB-CG2 4.16Å; V472-V605 HydrophobicContact CG1-CG2 3.77Å; V472-V605 HydrophobicContact CG2-CB 4.14Å; V472-V605 HydrophobicContact CG2-CG2 3.29Å; A594-V605 HydrophobicContact CB-CG1 4.46Å; Y595-V605 WeakPolarHBondContact O-CA 3.45Å; V605-F607 HydrophobicContact CG1-CD2 4.47Å; V605-F607 HydrophobicContact CG1-CE1 4.33Å; V605-F607 HydrophobicContact CG1-CE2 4.23Å; V605-F607 HydrophobicContact CG1-CZ 4.18Å; V605-H637 PolarHBondContact O-CE1 2.95Å
606E89.9Confident87.8Confident2 Ų244.3 Ų44.31%0.00925%0.246CC..EExtended strand (participates in β ladder)trans-117.4128.2163.4-166.6178.2-141.100108.9Y595 R597 W604 T628 K629Y595-E606 WeakPolarHBondContact CB-O 3.34Å; Y595-E606 PolarHBondContact N-O 3.07Å; Y595-E606 PolarHBondContact O-N 3.46Å; R597-E606 HydrophobicContact CG-CB 4.05Å; R597-E606 IonicContact CZ-OE2 2.81Å; R597-E606 IonicContact NE-OE2 3.94Å; R597-E606 PolarHBondContact NE-OE2 3.3Å; R597-E606 IonicContact NH2-OE2 2.83Å; R597-E606 PolarHBondContact NH2-OE2 3.34Å; W604-E606 HydrophobicContact CE3-CB 4.25Å; W604-E606 HydrophobicContact CH2-CB 4Å; W604-E606 HydrophobicContact CH2-CG 4.21Å; W604-E606 HydrophobicContact CZ3-CB 3.53Å; W604-E606 HydrophobicContact CZ3-CG 3.95Å; E606-T628 HydrophobicContact CG-CG2 4.5Å; E606-T628 WeakPolarHBondContact OE1-CA 3.16Å; E606-K629 PolarHBondContact OE1-N 3.47Å
607F92Very high88Confident1 Ų147.7 Ų47.70%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-86.3144167.6-69.5-65.4000110.1F463 H467 P592 T593 A594 V605 F626 W683F463-F607 HydrophobicContact CB-CD2 4.25Å; F463-F607 HydrophobicContact CB-CE2 3.83Å; F463-F607 HydrophobicContact CD1-CD2 4.21Å; F463-F607 HydrophobicContact CD1-CE1 4.29Å; F463-F607 AromaticContact CD1-CE2 3.75Å; F463-F607 HydrophobicContact CD1-CE2 3.75Å; F463-F607 AromaticContact CD1-CZ 3.78Å; F463-F607 HydrophobicContact CD1-CZ 3.78Å; F463-F607 HydrophobicContact CG-CD2 4.42Å; F463-F607 HydrophobicContact CG-CE2 4.14Å; H467-F607 AromaticContact CD2-CE2 3.71Å; H467-F607 AromaticContact CD2-CZ 3.6Å; H467-F607 AromaticContact NE2-CE2 3.9Å; H467-F607 AromaticContact NE2-CZ 3.28Å; H467-F607 VanDerWaalsContact NE2-CZ 3.28Å; H467-F607 WeakPolarHBondContact NE2-CZ 3.23Å; P592-F607 HydrophobicContact CB-CB 4.22Å; P592-F607 HydrophobicContact CB-CD1 4.22Å; P592-F607 HydrophobicContact CG-CB 4.13Å; P592-F607 HydrophobicContact CG-CD1 3.62Å; P592-F607 HydrophobicContact CG-CE1 4.21Å; P592-F607 HydrophobicContact CG-CG 3.98Å; T593-F607 WeakPolarHBondContact O-CA 3.34Å; A594-F607 HydrophobicContact CB-CD1 4.09Å; A594-F607 HydrophobicContact CB-CE1 3.91Å; V605-F607 HydrophobicContact CG1-CD2 4.47Å; V605-F607 HydrophobicContact CG1-CE1 4.33Å; V605-F607 HydrophobicContact CG1-CE2 4.23Å; V605-F607 HydrophobicContact CG1-CZ 4.18Å; F607-F626 HydrophobicContact CB-CB 4.24Å; F607-F626 HydrophobicContact CB-CD1 3.61Å; F607-F626 HydrophobicContact CB-CE1 4.26Å; F607-F626 HydrophobicContact CB-CG 4.11Å; F607-W683 HydrophobicContact CD2-CD2 4.19Å; F607-W683 AromaticContact CD2-CE2 3.67Å; F607-W683 HydrophobicContact CD2-CE3 4.49Å; F607-W683 AromaticContact CD2-CH2 3.95Å; F607-W683 HydrophobicContact CD2-CH2 3.95Å; F607-W683 AromaticContact CD2-CZ2 3.54Å; F607-W683 HydrophobicContact CD2-CZ2 3.54Å; F607-W683 HydrophobicContact CD2-CZ3 4.38Å; F607-W683 AromaticContact CE2-CH2 3.93Å; F607-W683 HydrophobicContact CE2-CH2 3.93Å; F607-W683 HydrophobicContact CE2-CZ2 4.02Å; F607-W683 HydrophobicContact CE2-CZ3 4.2Å
608G90.5Very high88.3Confident0 Ų045.4 Ų45.40%025%0.251CS..EExtended strand (participates in β ladder)trans-143.8178.3179.800000113.4T593 F626T593-G608 PolarHBondContact N-O 2.79Å; T593-G608 PolarHBondContact O-N 3.39Å; G608-F626 WeakPolarHBondContact CA-O 3.33Å
609D89.2Confident88.8Confident74 Ų7444.2 Ų44.240%0.39625%0.246SC..EExtended strand (participates in β ladder)trans72.9178.5178.2-49.2-39.9000114.1T593 Y595 F626T593-D609 WeakPolarHBondContact CB-OD2 3.36Å; T593-D609 PolarHBondContact OG1-OD2 3.36Å; Y595-D609 PolarHBondContact OH-OD1 3.34Å; Y595-D609 PolarHBondContact OH-OD2 3.25Å; Y595-D609 VanDerWaalsContact OH-OD2 3.12Å; D609-F626 PolarHBondContact N-O 3.23Å; D609-F626 PolarHBondContact O-N 3.23Å
610K92.7Very high89.4Confident150 Ų15044.1 Ų44.165%0.65224%0.244SC*.EExtended strand (participates in β ladder)trans-96.6136.6-179.3-64.8-169.4177.2-173.20110.7V623 I624 T625K610-V623 HydrophobicContact CD-CG1 4.47Å; K610-I624 CarbonylContact C-O 3.57Å; K610-I624 WeakPolarHBondContact CA-O 3.47Å; K610-T625 HydrophobicContact CG-CG2 3.97Å
611V94.2Very high90.5Very high1 Ų142.6 Ų42.61%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-113.7131.2170.8175.80000108.6Y459 S590 P592 I624 F626Y459-V611 WeakPolarHBondContact OH-CG1 3.3Å; S590-V611 WeakPolarHBondContact O-CG1 3.09Å; P592-V611 HydrophobicContact CB-CG2 4.06Å; V611-I624 PolarHBondContact N-O 3.2Å; V611-I624 PolarHBondContact O-N 2.73Å; V611-F626 HydrophobicContact CG2-CD2 4.32Å; V611-F626 HydrophobicContact CG2-CE2 4.11Å
612S93.6Very high91.5Very high53 Ų5337.6 Ų37.637%0.37121%0.207SC..EExtended strand (participates in β ladder)trans-101.9138.9170.5-58.10000110.2A622S612-A622 WeakPolarHBondContact CA-O 3.46Å
613V96.3Very high92.4Very high0 Ų035.7 Ų35.70%020%0.196CC..EExtended strand (participates in β ladder)trans-120.6133.7171.6-179.40000107.8M452 F455 I456 H588 F589 S621 A622M452-V613 HydrophobicContact CE-CG1 4.42Å; M452-V613 HydrophobicContact SD-CG1 4.21Å; F455-V613 HydrophobicContact CD1-CG1 3.94Å; F455-V613 HydrophobicContact CE1-CB 4.4Å; F455-V613 HydrophobicContact CE1-CG1 3.42Å; F455-V613 VanDerWaalsContact CE1-CG1 3.42Å; F455-V613 HydrophobicContact CE1-CG2 4.08Å; F455-V613 HydrophobicContact CZ-CG1 4.3Å; I456-V613 HydrophobicContact CD1-CB 4.13Å; I456-V613 HydrophobicContact CD1-CG1 4.21Å; I456-V613 HydrophobicContact CD1-CG2 3.8Å; H588-V613 WeakPolarHBondContact O-CA 3.23Å; F589-V613 HydrophobicContact CB-CB 4.43Å; F589-V613 HydrophobicContact CB-CG1 4.38Å; F589-V613 HydrophobicContact CB-CG2 3.91Å; V613-S621 CarbonylContact O-C 3.56Å; V613-S621 WeakPolarHBondContact O-CA 3.32Å; V613-S621 WeakPolarHBondContact O-CB 3.43Å; V613-A622 HydrophobicContact CB-CB 4.14Å; V613-A622 PolarHBondContact N-O 3.35Å; V613-A622 PolarHBondContact O-N 3.22Å
614T96.4Very high93.1Very high45 Ų4534.2 Ų34.228%0.27619%0.186SC..EExtended strand (participates in β ladder)trans-136.5136.9178.259.60000110.7H588H588-T614 PolarHBondContact N-O 3.49Å; H588-T614 PolarHBondContact O-N 3.33Å
615C96.4Very high93.7Very high2 Ų232.3 Ų32.31%0.01418%0.182CC..EExtended strand (participates in β ladder)trans-115.498.4167.7-176.30000109.7M452 E585 E586 Y587 Q617 T618 G619 Y620M452-C615 HydrophobicContact CE-CB 3.75Å; E585-C615 WeakPolarHBondContact CG-SG 3.36Å; E586-C615 WeakPolarHBondContact O-CA 3.47Å; E586-C615 PolarHBondContact O-SG 3.28Å; Y587-C615 HydrophobicContact CD1-CB 4.26Å; Y587-C615 HydrophobicContact CE1-CB 4.22Å; C615-Q617 VanDerWaalsContact C-N 3.29Å; C615-Q617 PolarHBondContact O-N 3.37Å; C615-T618 WeakPolarHBondContact CB-OG1 3.31Å; C615-T618 PolarHBondContact O-N 3.35Å; C615-T618 PolarHBondContact SG-OG1 2.97Å; C615-G619 PolarHBondContact O-N 3.37Å; C615-Y620 PolarHBondContact N-O 3.48Å
616P92.7Very high94Very high83 Ų8331.7 Ų31.754%0.53918%0.178SC..THydrogen-bonded Turntrans-58.8-37.3-176.1-2734.6000113.8H588H588-P616 VanDerWaalsContact CD2-CD 3.49Å; H588-P616 WeakPolarHBondContact CD2-CD 3.38Å
617Q92.9Very high94Very high93 Ų9334.7 Ų34.744%0.43519%0.194SC..THydrogen-bonded Turntrans-68.2-38.3-175.6-67.588-34.200112.4D584 E585 E586 C615D584-Q617 PolarHBondContact O-NE2 3.37Å; E585-Q617 HydrophobicContact CG-CB 4.38Å; E586-Q617 VanDerWaalsContact N-CD 3.32Å; E586-Q617 PolarHBondContact O-OE1 2.9Å; C615-Q617 VanDerWaalsContact C-N 3.29Å; C615-Q617 PolarHBondContact O-N 3.37Å
618T93.3Very high93.7Very high15 Ų1537.2 Ų37.29%0.09221%0.209CC..THydrogen-bonded Turntrans-100-12.8-176.364.30000112.9P448 E585 C615 Y620 H647P448-T618 HydrophobicContact CB-CG2 3.79Å; P448-T618 HydrophobicContact CG-CG2 4.15Å; E585-T618 HydrophobicContact CG-CG2 3.99Å; E585-T618 WeakPolarHBondContact OE2-CG2 3.35Å; C615-T618 WeakPolarHBondContact CB-OG1 3.31Å; C615-T618 PolarHBondContact O-N 3.35Å; C615-T618 PolarHBondContact SG-OG1 2.97Å; T618-Y620 WeakPolarHBondContact O-CD2 3.25Å; T618-Y620 PolarHBondContact O-N 3.04Å; T618-Y620 WeakPolarHBondContact OG1-CD2 3.27Å; T618-H647 PolarHBondContact O-NE2 2.93Å
619G92.8Very high92.8Very high19 Ų1942.1 Ų42.120%0.19623%0.231CC..THydrogen-bonded Turntrans7210.8-178.700000114.3C615 T646C615-G619 PolarHBondContact O-N 3.37Å; G619-T646 WeakPolarHBondContact CA-OG1 3.45Å; G619-T646 WeakPolarHBondContact O-CG2 3.45Å; G619-T646 PolarHBondContact O-N 2.89Å; G619-T646 PolarHBondContact O-OG1 3.32Å
620Y95.4Very high91.2Very high23 Ų2341.6 Ų41.69%0.0923%0.231CC..EExtended strand (participates in β ladder)trans-82.7145.8172.1-73.4-95.2000111P448 E449 M452 C615 T618 I643 Y644 I676P448-Y620 HydrophobicContact CB-CD2 4.14Å; P448-Y620 HydrophobicContact CB-CE2 3.68Å; E449-Y620 HydrophobicContact CB-CE1 4.1Å; E449-Y620 HydrophobicContact CG-CE1 4.39Å; M452-Y620 HydrophobicContact CB-CG 4.47Å; C615-Y620 PolarHBondContact N-O 3.48Å; T618-Y620 WeakPolarHBondContact O-CD2 3.25Å; T618-Y620 PolarHBondContact O-N 3.04Å; T618-Y620 WeakPolarHBondContact OG1-CD2 3.27Å; Y620-I643 HydrophobicContact CD1-CG2 4.43Å; Y620-Y644 VanDerWaalsContact CA-O 3.31Å; Y620-Y644 WeakPolarHBondContact CA-O 3.5Å; Y620-I676 HydrophobicContact CE1-CG1 4.17Å
621S96.4Very high89.2Confident25 Ų2542.3 Ų42.318%0.17524%0.237CC..EExtended strand (participates in β ladder)trans-141.2158.7171.756.10000111V613 I643 Y644V613-S621 CarbonylContact O-C 3.56Å; V613-S621 WeakPolarHBondContact O-CA 3.32Å; V613-S621 WeakPolarHBondContact O-CB 3.43Å; S621-I643 CarbonylContact O-C 3.53Å; S621-I643 WeakPolarHBondContact O-CA 3.25Å; S621-Y644 PolarHBondContact N-O 3.32Å; S621-Y644 PolarHBondContact O-N 3.46Å
622A96.8Very high87Confident1 Ų153.3 Ų53.31%0.00828%0.28CS..EExtended strand (participates in β ladder)trans-136.9146.3172.700000110.7I456 S612 V613 E642 I643I456-A622 HydrophobicContact CD1-CB 3.64Å; I456-A622 HydrophobicContact CG1-CB 4.22Å; S612-A622 WeakPolarHBondContact CA-O 3.46Å; V613-A622 HydrophobicContact CB-CB 4.14Å; V613-A622 PolarHBondContact N-O 3.35Å; V613-A622 PolarHBondContact O-N 3.22Å; A622-E642 CarbonylContact C-O 3.54Å; A622-E642 WeakPolarHBondContact CA-O 3.29Å; A622-I643 HydrophobicContact CB-CG1 3.9Å
623V96.7Very high85.3Confident48 Ų4856.1 Ų56.129%0.29129%0.287SS..EExtended strand (participates in β ladder)trans-121.3118.7170.9-179.70000107.6K610 G641 E642K610-V623 HydrophobicContact CD-CG1 4.47Å; V623-G641 CarbonylContact O-C 3.57Å; V623-G641 WeakPolarHBondContact O-CA 3.26Å; V623-E642 PolarHBondContact N-O 3.48Å; V623-E642 PolarHBondContact O-N 2.7Å
624I96.9Very high83.9Confident0 Ų063 Ų630%032%0.324CS..EExtended strand (participates in β ladder)trans-111.9127.8177.9-60.4161.8000107.7I456 Y459 L460 K610 V611 F626 T640I456-I624 HydrophobicContact CD1-CD1 3.97Å; I456-I624 HydrophobicContact CG2-CD1 4.2Å; Y459-I624 HydrophobicContact CD1-CD1 3.82Å; Y459-I624 HydrophobicContact CE1-CD1 3.8Å; L460-I624 HydrophobicContact CD2-CD1 4.07Å; L460-I624 HydrophobicContact CD2-CG2 3.97Å; L460-I624 HydrophobicContact CG-CD1 4.42Å; K610-I624 CarbonylContact C-O 3.57Å; K610-I624 WeakPolarHBondContact CA-O 3.47Å; V611-I624 PolarHBondContact N-O 3.2Å; V611-I624 PolarHBondContact O-N 2.73Å; I624-F626 HydrophobicContact CG2-CD2 4.04Å; I624-F626 HydrophobicContact CG2-CE2 3.64Å; I624-F626 HydrophobicContact CG2-CZ 4.23Å; I624-T640 CarbonylContact C-O 3.51Å; I624-T640 WeakPolarHBondContact CA-O 3.37Å
625T95.6Very high83Confident27 Ų2766.9 Ų66.917%0.16634%0.337CS..EExtended strand (participates in β ladder)trans-108.5118173.4-52.20000109.2K610 L627 I639 T640K610-T625 HydrophobicContact CG-CG2 3.97Å; T625-L627 HydrophobicContact CG2-CD2 3.74Å; T625-I639 WeakPolarHBondContact O-CA 3.29Å; T625-T640 PolarHBondContact N-O 3.34Å; T625-T640 PolarHBondContact O-N 3.22Å
626F94.1Very high82.4Confident3 Ų369.4 Ų69.41%0.01335%0.35CS..EExtended strand (participates in β ladder)trans-84.2112.4167.4-69.6-99.3000108Y459 L460 F463 P592 F607 G608 D609 V611 I624 T628 I639 W683Y459-F626 HydrophobicContact CE1-CZ 4.44Å; L460-F626 HydrophobicContact CD2-CZ 4.05Å; F463-F626 HydrophobicContact CD2-CE1 4.01Å; F463-F626 AromaticContact CD2-CZ 3.9Å; F463-F626 HydrophobicContact CD2-CZ 3.9Å; F463-F626 HydrophobicContact CE2-CE1 4.13Å; F463-F626 AromaticContact CE2-CZ 3.55Å; F463-F626 HydrophobicContact CE2-CZ 3.55Å; F463-F626 HydrophobicContact CG-CE1 4.45Å; F463-F626 HydrophobicContact CZ-CZ 4.02Å; P592-F626 HydrophobicContact CB-CD1 4.5Å; P592-F626 HydrophobicContact CB-CD2 3.68Å; P592-F626 HydrophobicContact CB-CE2 3.89Å; P592-F626 HydrophobicContact CB-CG 4.01Å; P592-F626 HydrophobicContact CB-CZ 4.39Å; P592-F626 HydrophobicContact CG-CD2 4.19Å; P592-F626 HydrophobicContact CG-CE1 4.27Å; P592-F626 HydrophobicContact CG-CE2 3.95Å; P592-F626 HydrophobicContact CG-CG 4.47Å; P592-F626 HydrophobicContact CG-CZ 3.99Å; F607-F626 HydrophobicContact CB-CB 4.24Å; F607-F626 HydrophobicContact CB-CD1 3.61Å; F607-F626 HydrophobicContact CB-CE1 4.26Å; F607-F626 HydrophobicContact CB-CG 4.11Å; G608-F626 WeakPolarHBondContact CA-O 3.33Å; D609-F626 PolarHBondContact N-O 3.23Å; D609-F626 PolarHBondContact O-N 3.23Å; V611-F626 HydrophobicContact CG2-CD2 4.32Å; V611-F626 HydrophobicContact CG2-CE2 4.11Å; I624-F626 HydrophobicContact CG2-CD2 4.04Å; I624-F626 HydrophobicContact CG2-CE2 3.64Å; I624-F626 HydrophobicContact CG2-CZ 4.23Å; F626-T628 PolarHBondContact O-N 3.23Å; F626-I639 HydrophobicContact CD1-CG2 3.61Å; F626-I639 HydrophobicContact CE1-CG2 3.83Å; F626-I639 HydrophobicContact CG-CG2 4.21Å; F626-W683 AromaticContact CD1-CD1 3.93Å; F626-W683 HydrophobicContact CE1-CB 4.47Å; F626-W683 HydrophobicContact CE1-CG 4.39Å
627L90Very high82.2Confident66 Ų6666.7 Ų66.735%0.34633%0.33SS..  trans-83.1115.2-174.4-61.1173.2000109T625 C638 T640T625-L627 HydrophobicContact CG2-CD2 3.74Å; L627-C638 HydrophobicContact CB-CB 4.1Å; L627-C638 WeakPolarHBondContact CB-O 3.43Å; L627-C638 HydrophobicContact CD1-CB 3.92Å; L627-C638 PolarHBondContact N-O 3.37Å; L627-T640 HydrophobicContact CD1-CG2 3.98Å
628T85.4Confident82.1Confident54 Ų5463.2 Ų63.233%0.33132%0.315SS..  trans-76.8144.6164.861.10000108.9Y595 E606 F626 P630Y595-T628 HydrophobicContact CD2-CG2 4.26Å; Y595-T628 HydrophobicContact CE2-CG2 4.12Å; E606-T628 HydrophobicContact CG-CG2 4.5Å; E606-T628 WeakPolarHBondContact OE1-CA 3.16Å; F626-T628 PolarHBondContact O-N 3.23Å; T628-P630 WeakPolarHBondContact O-CD 3.22Å
629K70.6Confident82.2Confident103 Ų10362.6 Ų62.645%0.44831%0.312SS..  trans-47.6112.8-174.1-174.4176.9-176.6170.50112.7E606 D634 L636E606-K629 PolarHBondContact OE1-N 3.47Å; K629-D634 IonicContact NZ-OD1 3.9Å; K629-L636 HydrophobicContact CB-CD2 4.28Å; K629-L636 HydrophobicContact CD-CD2 4Å; K629-L636 HydrophobicContact CG-CD2 4.42Å
630P56.2Low82.4Confident63 Ų6364.5 Ų64.541%0.40932%0.32SS..  trans-75.1147.4164.729.3-27.5000109.2T628 Y632 E633T628-P630 WeakPolarHBondContact O-CD 3.22Å; P630-Y632 PolarHBondContact O-N 3.31Å; P630-E633 HydrophobicContact CG-CB 3.98Å; P630-E633 PolarHBondContact O-N 3.38Å
631H50.3Low82.5Confident165 Ų16563.7 Ų63.776%0.76432%0.318SS*.THydrogen-bonded Turntrans-57.2-13.9-174.4-77.377.7000115.2
632Y48Very low82.5Confident232 Ų23265.9 Ų65.991%0.9133%0.326SS*.THydrogen-bonded Turntrans-110.6-5.3-172.9-66.4-79.7000114.8P630P630-Y632 PolarHBondContact O-N 3.31Å
633E59.1Low82.5Confident112 Ų11265.9 Ų65.952%0.52333%0.325SS..  trans-125128.1-177.8-155.2167.6-169.800111.2P630P630-E633 HydrophobicContact CG-CB 3.98Å; P630-E633 PolarHBondContact O-N 3.38Å
634D66.1Low82.4Confident144 Ų14466.1 Ų66.177%0.7732%0.321SS*.  trans-84.7-5.3-171-80-32.9000114.5K629K629-D634 IonicContact NZ-OD1 3.9Å
635K77.3Confident82.2Confident126 Ų12666.2 Ų66.255%0.54832%0.322SS..  trans-82.1125.4-178.8-63.9-174.7-179.6179.40110.7C638K635-C638 WeakPolarHBondContact CB-SG 3.45Å
636L84Confident81.5Confident56 Ų5668.8 Ų68.829%0.29334%0.338SS..  trans-91.2161.4174.7-63.4176.3000110.2W604 K629 C638W604-L636 HydrophobicContact CH2-CD1 4.4Å; W604-L636 HydrophobicContact CH2-CD2 3.85Å; W604-L636 HydrophobicContact CZ3-CD1 4.48Å; W604-L636 HydrophobicContact CZ3-CD2 4.38Å; K629-L636 HydrophobicContact CB-CD2 4.28Å; K629-L636 HydrophobicContact CD-CD2 4Å; K629-L636 HydrophobicContact CG-CD2 4.42Å; L636-C638 PolarHBondContact O-N 3.46Å; L636-C638 VanDerWaalsContact O-N 3.15Å
637H87.8Confident80.4Confident25 Ų2574.2 Ų74.212%0.11636%0.363CS..SBendtrans63.220.9170.6-47.7-64.4000114.5W604 V605 E682 W683 N684W604-H637 AromaticContact CE3-CE1 3.96Å; W604-H637 AromaticContact CZ3-CE1 3.88Å; V605-H637 PolarHBondContact O-CE1 2.95Å; H637-E682 VanDerWaalsContact O-CA 3.32Å; H637-E682 WeakPolarHBondContact O-CA 3.48Å; H637-W683 HydrophobicContact CB-CD2 4.27Å; H637-W683 HydrophobicContact CB-CG 4.33Å; H637-W683 HydrophobicContact CB-CZ2 4.15Å; H637-W683 AromaticContact CE1-CZ2 3.92Å; H637-W683 AromaticContact CG-CE2 3.88Å; H637-W683 AromaticContact CG-CZ2 3.84Å; H637-W683 AromaticContact CG-NE1 3.95Å; H637-W683 AromaticContact ND1-CE2 3.57Å; H637-W683 AromaticContact ND1-CZ2 3.14Å; H637-W683 WeakPolarHBondContact ND1-CZ2 3.28Å; H637-W683 AromaticContact ND1-NE1 3.76Å; H637-W683 PolarHBondContact O-N 2.85Å; H637-W683 VanDerWaalsContact O-N 3.09Å; H637-N684 WeakPolarHBondContact CB-OD1 3.44Å; H637-N684 PolarHBondContact CD2-ND2 3.5Å
638C92.2Very high78.6Confident20 Ų2075.6 Ų75.614%0.13538%0.378CS..EExtended strand (participates in β ladder)trans-69.4143.2-178.8-66.10000111.8L627 K635 L636 G681L627-C638 HydrophobicContact CB-CB 4.1Å; L627-C638 WeakPolarHBondContact CB-O 3.43Å; L627-C638 HydrophobicContact CD1-CB 3.92Å; L627-C638 PolarHBondContact N-O 3.37Å; K635-C638 WeakPolarHBondContact CB-SG 3.45Å; L636-C638 PolarHBondContact O-N 3.46Å; L636-C638 VanDerWaalsContact O-N 3.15Å; C638-G681 CarbonylContact C-O 3.53Å; C638-G681 VanDerWaalsContact CA-O 3.26Å; C638-G681 WeakPolarHBondContact CA-O 3.38Å
639I95.1Very high76.8Confident2 Ų278.8 Ų78.81%0.0139%0.392CS..EExtended strand (participates in β ladder)trans-128.4149.7173.560.5172.2000110.3L460 T625 F626 I679 S680 G681 W683 I687L460-I639 HydrophobicContact CD1-CD1 3.9Å; L460-I639 HydrophobicContact CD2-CD1 3.87Å; L460-I639 HydrophobicContact CG-CD1 4.37Å; T625-I639 WeakPolarHBondContact O-CA 3.29Å; F626-I639 HydrophobicContact CD1-CG2 3.61Å; F626-I639 HydrophobicContact CE1-CG2 3.83Å; F626-I639 HydrophobicContact CG-CG2 4.21Å; I639-I679 HydrophobicContact CD1-CG2 4.32Å; I639-S680 WeakPolarHBondContact O-CA 3.21Å; I639-G681 PolarHBondContact N-O 3.41Å; I639-G681 PolarHBondContact O-N 3.16Å; I639-W683 HydrophobicContact CD1-CB 4.38Å; I639-W683 HydrophobicContact CG2-CB 3.97Å; I639-W683 HydrophobicContact CG2-CG 4.3Å; I639-I687 HydrophobicContact CD1-CG1 4.14Å; I639-I687 HydrophobicContact CD1-CG2 4.07Å
640T96.6Very high75Confident60 Ų6078.5 Ų78.537%0.36840%0.403SS..EExtended strand (participates in β ladder)trans-133145.7166.853.20000108.3I624 T625 L627 I679I624-T640 CarbonylContact C-O 3.51Å; I624-T640 WeakPolarHBondContact CA-O 3.37Å; T625-T640 PolarHBondContact N-O 3.34Å; T625-T640 PolarHBondContact O-N 3.22Å; L627-T640 HydrophobicContact CD1-CG2 3.98Å; T640-I679 CarbonylContact C-O 3.55Å; T640-I679 WeakPolarHBondContact CA-O 3.32Å
641G96.8Very high73.9Confident5 Ų581.3 Ų81.35%0.05242%0.421CS..EExtended strand (participates in β ladder)trans-152.5152.9179.100000112.6V623 R678 I679V623-G641 CarbonylContact O-C 3.57Å; V623-G641 WeakPolarHBondContact O-CA 3.26Å; G641-R678 CarbonylContact O-C 3.6Å; G641-R678 WeakPolarHBondContact O-CA 3.31Å; G641-I679 PolarHBondContact N-O 3.45Å; G641-I679 PolarHBondContact O-N 3.47Å
642E97Very high73.1Confident72 Ų7276.9 Ų76.934%0.33641%0.406SS..EExtended strand (participates in β ladder)trans-137.2132.3178.3-69.1179.4144.500109A622 V623 Y644 L675 A677A622-E642 CarbonylContact C-O 3.54Å; A622-E642 WeakPolarHBondContact CA-O 3.29Å; V623-E642 PolarHBondContact N-O 3.48Å; V623-E642 PolarHBondContact O-N 2.7Å; E642-Y644 HydrophobicContact CB-CD2 4.37Å; E642-Y644 HydrophobicContact CB-CE2 3.51Å; E642-Y644 PolarHBondContact OE2-OH 3.08Å; E642-L675 HydrophobicContact CB-CD1 3.68Å; E642-L675 HydrophobicContact CG-CD1 3.94Å; E642-A677 WeakPolarHBondContact CA-O 3.46Å
643I96.2Very high72.5Confident1 Ų171.5 Ų71.51%0.00540%0.402CS..EExtended strand (participates in β ladder)trans-107.4133.9175.9-60.8172.5000108.3M452 I453 I456 Y620 S621 A622 I676 A677 I679M452-I643 HydrophobicContact CG-CG2 3.8Å; I453-I643 HydrophobicContact CG1-CD1 3.95Å; I456-I643 HydrophobicContact CB-CD1 4.36Å; I456-I643 HydrophobicContact CG1-CD1 4.04Å; I456-I643 HydrophobicContact CG1-CG1 4.44Å; Y620-I643 HydrophobicContact CD1-CG2 4.43Å; S621-I643 CarbonylContact O-C 3.53Å; S621-I643 WeakPolarHBondContact O-CA 3.25Å; A622-I643 HydrophobicContact CB-CG1 3.9Å; I643-I676 HydrophobicContact CG2-CB 4.42Å; I643-I676 PolarHBondContact O-N 2.74Å; I643-A677 HydrophobicContact CB-CB 4.2Å; I643-A677 HydrophobicContact CD1-CB 4.15Å; I643-A677 HydrophobicContact CG1-CB 4.48Å; I643-A677 PolarHBondContact N-O 3.34Å; I643-A677 PolarHBondContact O-N 3.09Å; I643-I679 HydrophobicContact CD1-CD1 3.95Å; I643-I679 HydrophobicContact CG1-CD1 3.87Å
644Y95.3Very high71.8Confident52 Ų5270.2 Ų70.220%0.20441%0.405CS..EExtended strand (participates in β ladder)trans-124148-174.1-63.8-84.1000111.5Y620 S621 E642 N673 H674 L675Y620-Y644 VanDerWaalsContact CA-O 3.31Å; Y620-Y644 WeakPolarHBondContact CA-O 3.5Å; S621-Y644 PolarHBondContact N-O 3.32Å; S621-Y644 PolarHBondContact O-N 3.46Å; E642-Y644 HydrophobicContact CB-CD2 4.37Å; E642-Y644 HydrophobicContact CB-CE2 3.51Å; E642-Y644 PolarHBondContact OE2-OH 3.08Å; Y644-N673 HydrophobicContact CD1-CB 3.85Å; Y644-N673 HydrophobicContact CG-CB 4.26Å; Y644-H674 CarbonylContact C-O 3.56Å; Y644-H674 VanDerWaalsContact CA-O 3.28Å; Y644-H674 WeakPolarHBondContact CA-O 3.49Å; Y644-L675 HydrophobicContact CD1-CB 4.42Å; Y644-L675 HydrophobicContact CD1-CD1 4.28Å; Y644-L675 HydrophobicContact CE1-CB 4.3Å; Y644-L675 HydrophobicContact CE1-CD1 3.89Å
645S91.5Very high70.7Confident3 Ų370 Ų702%0.02141%0.405CS..EExtended strand (participates in β ladder)trans-119143.3168.8-177.60000110.6H647 H674S645-H647 PolarHBondContact OG-N 3.37Å; S645-H674 PolarHBondContact N-O 3.21Å; S645-H674 PolarHBondContact O-N 3.44Å
646T82.8Confident68.8Low81 Ų8175.2 Ų75.250%0.49742%0.421SS..SBendtrans-86-8.517349.50000112.9G619 S648G619-T646 WeakPolarHBondContact CA-OG1 3.45Å; G619-T646 WeakPolarHBondContact O-CG2 3.45Å; G619-T646 PolarHBondContact O-N 2.89Å; G619-T646 PolarHBondContact O-OG1 3.32Å; T646-S648 PolarHBondContact O-N 3.29Å
647H69.3Low66.7Low117 Ų11777.4 Ų77.454%0.54244%0.44SS..  trans-80.3114.9177.6-65.4-62.6000111.1T618 S645 I649T618-H647 PolarHBondContact O-NE2 2.93Å; S645-H647 PolarHBondContact OG-N 3.37Å; H647-I649 PolarHBondContact O-N 3.26Å
648S52.3Low64.7Low95 Ų9581.3 Ų81.366%0.66447%0.471SS*.  trans-70.7115.3169.255.80000109.7T646 S650T646-S648 PolarHBondContact O-N 3.29Å; S648-S650 PolarHBondContact O-N 2.92Å
649I48.4Very low62.3Low121 Ų12190.4 Ų90.462%0.62151%0.508SS*.  trans-63.4112.4170.7-60.3172.5000107H647H647-I649 PolarHBondContact O-N 3.26Å
650S32Very low59.6Low96 Ų9693.1 Ų93.167%0.67154%0.537SS*.PPolyproline II helixtrans-60.1127.6170.3-29.30000107.5S648 T652S648-S650 PolarHBondContact O-N 2.92Å; S650-T652 PolarHBondContact O-N 3.4Å
651P33.3Very low56.9Low122 Ų12297.2 Ų97.279%0.79256%0.564SS**PPolyproline II helixtrans-58.9118.6177.121.2-29.4000108.5S653P651-S653 PolarHBondContact O-N 2.9Å
652T34.2Very low54.4Low73 Ų73100.9 Ų100.945%0.44860%0.602SS.*PPolyproline II helixtrans-53.7136.8174.642.70000109S650 S654S650-T652 PolarHBondContact O-N 3.4Å; T652-S654 PolarHBondContact O-N 2.92Å
653S35.8Very low51.8Low119 Ų119102.7 Ų102.783%0.83262%0.623SS**THydrogen-bonded Turntrans-61.612.4-172.742.80000116.2P651P651-S653 PolarHBondContact O-N 2.9Å
654S44Very low49.1Very low84 Ų84107.3 Ų107.359%0.58766%0.655SS**THydrogen-bonded Turntrans-91.1-15.8-179.955.70000115.1T652 R656T652-S654 PolarHBondContact O-N 2.92Å; S654-R656 PolarHBondContact O-N 3.23Å
655D42.4Very low46.4Very low141 Ų141111.3 Ų111.375%0.75469%0.687SS**  trans-91.812.4-174.1-79.3-10.5000115.3S657D655-S657 PolarHBondContact O-N 2.98Å
656R37.3Very low43.9Very low235 Ų235118.3 Ų118.389%0.88772%0.724SS**  trans-91.562.5177.1-63.8-170.1-171.6-1593.5112.2S654S654-R656 PolarHBondContact O-N 3.23Å
657S39.9Very low41.5Very low101 Ų101119.5 Ų119.571%0.70674%0.735SS**SBendtrans-159.559.4165.860.90000114.3D655D655-S657 PolarHBondContact O-N 2.98Å
658S45.3Very low39.7Very low107 Ų107120 Ų12075%0.74875%0.748SS**  trans170.8102.7148.141.50000110.7
659K42.7Very low38.7Very low211 Ų211122.7 Ų122.792%0.91776%0.761SS**  trans172129.6135.9-91.7157.7-171.9-177.20108.9
660G39Very low38.1Very low60 Ų60119.8 Ų119.862%0.61976%0.761SS**  trans-71.2173.8-163.800000115.6G662G660-G662 PolarHBondContact O-N 3.16Å
661P38.4Very low38.6Very low146 Ų146123.4 Ų123.495%0.94877%0.772SS**SBendtrans-72.8117.6-178.230.1-30000109.4
662G44.8Very low39.6Very low81 Ų81121.8 Ų121.884%0.83576%0.764SS**  trans170.4-3.3177.100000118.3G660G660-G662 PolarHBondContact O-N 3.16Å
663S42.2Very low41.3Very low111 Ų111122.5 Ų122.578%0.77677%0.765SS**  trans-110.7122.6178.1560000112
664S40.7Very low43.8Very low98 Ų98120.7 Ų120.769%0.68574%0.743SS**  trans-48140.6174.5-32.20000112.8L666S664-L666 PolarHBondContact O-N 2.91Å
665P38.5Very low46.1Very low135 Ų135118.2 Ų118.288%0.87772%0.724SS**  trans-77.3111.4172.422.3-15.4000109.7
666L38.5Very low48.5Very low151 Ų151112 Ų11279%0.79169%0.69SS**  trans-96.5129.8170-99.5110.7000111.3S664S664-L666 PolarHBondContact O-N 2.91Å
667S31.7Very low51.2Low106 Ų106100.8 Ų100.874%0.74165%0.648SS**  trans69.5121.6155.144.30000119.4
668P32.3Very low53.9Low126 Ų126101.2 Ų101.282%0.81863%0.634SS**  trans-83.1143.1178.517.2-2.5000113.4G670P668-G670 PolarHBondContact O-N 3.05Å
669V32.4Very low56.3Low153 Ų15396.3 Ų96.393%0.92760%0.6SS**  trans2.9101.3154-170.80000116.3
670G35.2Very low58.9Low60 Ų6089 Ų8962%0.61958%0.575SS**  trans-120.2136.216100000109.3P668 S672P668-G670 PolarHBondContact O-N 3.05Å; G670-S672 PolarHBondContact O-N 3.12Å
671N41.7Very low61.5Low171 Ų17187 Ų8791%0.91456%0.555SS**  trans-2893.7179.2-83.2-11.9000113.7N673N671-N673 PolarHBondContact O-N 3.37Å
672S54.1Low64.1Low88 Ų8881.9 Ų81.962%0.61552%0.518SS*.  trans-97.788-176.768.30000110.1G670 H674G670-S672 PolarHBondContact O-N 3.12Å; S672-H674 PolarHBondContact O-N 3.16Å; S672-H674 VanDerWaalsContact O-N 3.15Å
673N71.3Confident66.3Low88 Ų8878.5 Ų78.547%0.47148%0.48SS..PPolyproline II helixtrans-56.9116.3159.8-75.4-2.1000107.8Y644 N671Y644-N673 HydrophobicContact CD1-CB 3.85Å; Y644-N673 HydrophobicContact CG-CB 4.26Å; N671-N673 PolarHBondContact O-N 3.37Å
674H87.5Confident68.6Low81 Ų8174.7 Ų74.738%0.37545%0.451SS..EExtended strand (participates in β ladder)trans-82123.3-179.5-173.956.1000109.4Y644 S645 S672 I676Y644-H674 CarbonylContact C-O 3.56Å; Y644-H674 VanDerWaalsContact CA-O 3.28Å; Y644-H674 WeakPolarHBondContact CA-O 3.49Å; S645-H674 PolarHBondContact N-O 3.21Å; S645-H674 PolarHBondContact O-N 3.44Å; S672-H674 PolarHBondContact O-N 3.16Å; S672-H674 VanDerWaalsContact O-N 3.15Å; H674-I676 PolarHBondContact O-N 3.43Å
675L92.6Very high71Confident33 Ų3374.7 Ų74.717%0.17344%0.438CS..EExtended strand (participates in β ladder)trans-72.2118.6177.3-178.570.9000110E642 Y644 R678 L692E642-L675 HydrophobicContact CB-CD1 3.68Å; E642-L675 HydrophobicContact CG-CD1 3.94Å; Y644-L675 HydrophobicContact CD1-CB 4.42Å; Y644-L675 HydrophobicContact CD1-CD1 4.28Å; Y644-L675 HydrophobicContact CE1-CB 4.3Å; Y644-L675 HydrophobicContact CE1-CD1 3.89Å; L675-R678 HydrophobicContact CD2-CG 4.27Å; L675-L692 HydrophobicContact CD2-CD1 3.43Å; L675-L692 VanDerWaalsContact CD2-CD1 3.43Å; L675-L692 HydrophobicContact CG-CD1 3.7Å
676I92Very high73.6Confident9 Ų971.7 Ų71.75%0.04642%0.415CS..EExtended strand (participates in β ladder)trans-99.7-41.5-176-61.4-65.7000111.6E449 Y620 I643 H674 L692E449-I676 HydrophobicContact CG-CG2 3.75Å; Y620-I676 HydrophobicContact CE1-CG1 4.17Å; I643-I676 HydrophobicContact CG2-CB 4.42Å; I643-I676 PolarHBondContact O-N 2.74Å; H674-I676 PolarHBondContact O-N 3.43Å; I676-L692 PolarHBondContact O-N 3.3Å
677A94Very high76.3Confident1 Ų164.5 Ų64.51%0.00838%0.377CS..EExtended strand (participates in β ladder)trans-150.3155.1-178.200000112.3E642 I643 E690 V691E642-A677 WeakPolarHBondContact CA-O 3.46Å; I643-A677 HydrophobicContact CB-CB 4.2Å; I643-A677 HydrophobicContact CD1-CB 4.15Å; I643-A677 HydrophobicContact CG1-CB 4.48Å; I643-A677 PolarHBondContact N-O 3.34Å; I643-A677 PolarHBondContact O-N 3.09Å; A677-E690 CarbonylContact C-O 3.55Å; A677-E690 WeakPolarHBondContact CA-O 3.41Å; A677-E690 WeakPolarHBondContact CB-O 3.18Å; A677-V691 HydrophobicContact CB-CG2 4.08Å
678R96.5Very high79.4Confident109 Ų10962.1 Ų62.141%0.41136%0.356SS..EExtended strand (participates in β ladder)trans-116.6143.8171.6-68.9-175.4-179.9126.62.9110.3G641 L675 E690 L692G641-R678 CarbonylContact O-C 3.6Å; G641-R678 WeakPolarHBondContact O-CA 3.31Å; L675-R678 HydrophobicContact CD2-CG 4.27Å; R678-E690 HydrophobicContact CB-CB 4.46Å; R678-E690 PolarHBondContact N-O 2.83Å; R678-E690 PolarHBondContact O-N 3.08Å; R678-L692 HydrophobicContact CG-CD1 4.37Å
679I97Very high82.4Confident5 Ų556.3 Ų56.33%0.02632%0.318CS..EExtended strand (participates in β ladder)trans-119.6139172.6-5598.7000108.6I456 L460 I639 T640 G641 I643 I687 N688 F689I456-I679 HydrophobicContact CG2-CD1 4.03Å; I456-I679 HydrophobicContact CG2-CG1 4.29Å; L460-I679 HydrophobicContact CD1-CG2 3.7Å; I639-I679 HydrophobicContact CD1-CG2 4.32Å; T640-I679 CarbonylContact C-O 3.55Å; T640-I679 WeakPolarHBondContact CA-O 3.32Å; G641-I679 PolarHBondContact N-O 3.45Å; G641-I679 PolarHBondContact O-N 3.47Å; I643-I679 HydrophobicContact CD1-CD1 3.95Å; I643-I679 HydrophobicContact CG1-CD1 3.87Å; I679-I687 HydrophobicContact CG2-CG2 3.64Å; I679-N688 CarbonylContact C-O 3.57Å; I679-N688 VanDerWaalsContact CA-O 3.31Å; I679-N688 WeakPolarHBondContact CA-O 3.48Å; I679-F689 HydrophobicContact CG1-CD1 3.68Å; I679-F689 HydrophobicContact CG1-CE1 3.63Å; I679-F689 HydrophobicContact CG1-CZ 4.46Å; I679-F689 HydrophobicContact CG2-CE1 4.36Å; I679-F689 HydrophobicContact CG2-CZ 4.42Å
680S96Very high85.4Confident57 Ų5751.2 Ų51.240%0.39928%0.284SS..EExtended strand (participates in β ladder)trans-151.7156.9173.361.30000110.9I639 N688I639-S680 WeakPolarHBondContact O-CA 3.21Å; S680-N688 PolarHBondContact N-O 3.14Å; S680-N688 WeakPolarHBondContact O-CA 3.36Å; S680-N688 WeakPolarHBondContact O-CB 3.26Å; S680-N688 PolarHBondContact O-N 2.75Å; S680-N688 PolarHBondContact O-ND2 3.45Å
681G94Very high88.1Confident19 Ų1948.4 Ų48.420%0.19625%0.254CS..EExtended strand (participates in β ladder)trans139.7-152.2172.900000112.7C638 I639 I686C638-G681 CarbonylContact C-O 3.53Å; C638-G681 VanDerWaalsContact CA-O 3.26Å; C638-G681 WeakPolarHBondContact CA-O 3.38Å; I639-G681 PolarHBondContact N-O 3.41Å; I639-G681 PolarHBondContact O-N 3.16Å; G681-I686 CarbonylContact C-O 3.59Å; G681-I686 WeakPolarHBondContact CA-O 3.49Å
682E93.1Very high90.3Very high38 Ų3842.8 Ų42.818%0.17822%0.224CC..EExtended strand (participates in β ladder)trans-121.1119.9179.6-67.6171-108.200108.6H637 N684 K685 I686H637-E682 VanDerWaalsContact O-CA 3.32Å; H637-E682 WeakPolarHBondContact O-CA 3.48Å; E682-N684 PolarHBondContact O-N 2.94Å; E682-K685 HydrophobicContact CB-CB 4.15Å; E682-K685 PolarHBondContact O-N 3.42Å; E682-K685 IonicContact OE1-NZ 2.81Å; E682-K685 WeakPolarHBondContact OE2-CD 3.4Å; E682-K685 WeakPolarHBondContact OE2-CE 3.47Å; E682-K685 IonicContact OE2-NZ 2.71Å; E682-K685 PolarHBondContact OE2-NZ 3.16Å; E682-I686 PolarHBondContact N-O 3.09Å; E682-I686 CarbonylContact O-C 3.57Å; E682-I686 PolarHBondContact O-N 2.95Å
683W92.2Very high91.2Very high10 Ų1040.9 Ų40.94%0.03821%0.207CC..THydrogen-bonded Turntrans-62-18.1-174.861-104.6000113.6F463 F607 F626 H637 I639F463-W683 HydrophobicContact CB-CD2 4.23Å; F463-W683 HydrophobicContact CB-CE3 3.69Å; F463-W683 HydrophobicContact CB-CZ3 4.2Å; F463-W683 VanDerWaalsContact O-CZ3 3.27Å; F463-W683 WeakPolarHBondContact O-CZ3 3.25Å; F607-W683 HydrophobicContact CD2-CD2 4.19Å; F607-W683 AromaticContact CD2-CE2 3.67Å; F607-W683 HydrophobicContact CD2-CE3 4.49Å; F607-W683 AromaticContact CD2-CH2 3.95Å; F607-W683 HydrophobicContact CD2-CH2 3.95Å; F607-W683 AromaticContact CD2-CZ2 3.54Å; F607-W683 HydrophobicContact CD2-CZ2 3.54Å; F607-W683 HydrophobicContact CD2-CZ3 4.38Å; F607-W683 AromaticContact CE2-CH2 3.93Å; F607-W683 HydrophobicContact CE2-CH2 3.93Å; F607-W683 HydrophobicContact CE2-CZ2 4.02Å; F607-W683 HydrophobicContact CE2-CZ3 4.2Å; F626-W683 AromaticContact CD1-CD1 3.93Å; F626-W683 HydrophobicContact CE1-CB 4.47Å; F626-W683 HydrophobicContact CE1-CG 4.39Å; H637-W683 HydrophobicContact CB-CD2 4.27Å; H637-W683 HydrophobicContact CB-CG 4.33Å; H637-W683 HydrophobicContact CB-CZ2 4.15Å; H637-W683 AromaticContact CE1-CZ2 3.92Å; H637-W683 AromaticContact CG-CE2 3.88Å; H637-W683 AromaticContact CG-CZ2 3.84Å; H637-W683 AromaticContact CG-NE1 3.95Å; H637-W683 AromaticContact ND1-CE2 3.57Å; H637-W683 AromaticContact ND1-CZ2 3.14Å; H637-W683 WeakPolarHBondContact ND1-CZ2 3.28Å; H637-W683 AromaticContact ND1-NE1 3.76Å; H637-W683 PolarHBondContact O-N 2.85Å; H637-W683 VanDerWaalsContact O-N 3.09Å; I639-W683 HydrophobicContact CD1-CB 4.38Å; I639-W683 HydrophobicContact CG2-CB 3.97Å; I639-W683 HydrophobicContact CG2-CG 4.3Å
684N89.8Confident90.7Very high30 Ų3045 Ų4516%0.1622%0.221CC..THydrogen-bonded Turntrans-105.38.4179.173.1-25.9000114.3H637 E682 N704H637-N684 WeakPolarHBondContact CB-OD1 3.44Å; H637-N684 PolarHBondContact CD2-ND2 3.5Å; E682-N684 PolarHBondContact O-N 2.94Å; N684-N704 PolarHBondContact O-OD1 2.71Å
685K90.6Very high89.7Confident98 Ų9845.4 Ų45.443%0.42623%0.226SC..SBendtrans-141-77.1178.6-64.9-178-165.1149.30112.6E682 T702 V703E682-K685 HydrophobicContact CB-CB 4.15Å; E682-K685 PolarHBondContact O-N 3.42Å; E682-K685 IonicContact OE1-NZ 2.81Å; E682-K685 WeakPolarHBondContact OE2-CD 3.4Å; E682-K685 WeakPolarHBondContact OE2-CE 3.47Å; E682-K685 IonicContact OE2-NZ 2.71Å; E682-K685 PolarHBondContact OE2-NZ 3.16Å; K685-T702 CarbonylContact O-C 3.53Å; K685-T702 WeakPolarHBondContact O-CA 3.49Å; K685-V703 PolarHBondContact O-N 3.47Å
686I93.9Very high88.9Confident73 Ų7348.3 Ų48.337%0.37424%0.241SC..EExtended strand (participates in β ladder)trans-134.9123-173.3-58.4176.7000108.5G681 E682 V701 T702G681-I686 CarbonylContact C-O 3.59Å; G681-I686 WeakPolarHBondContact CA-O 3.49Å; E682-I686 PolarHBondContact N-O 3.09Å; E682-I686 CarbonylContact O-C 3.57Å; E682-I686 PolarHBondContact O-N 2.95Å; I686-V701 WeakPolarHBondContact CA-O 3.38Å; I686-T702 HydrophobicContact CG1-CG2 4.38Å
687I95.3Very high88.5Confident0 Ų049.5 Ų49.50%025%0.246CC..EExtended strand (participates in β ladder)trans-109.1123.8174.9-55.7163.7000108.1L460 I639 I679 F689 S700 V701 V703L460-I687 HydrophobicContact CB-CD1 3.72Å; L460-I687 HydrophobicContact CD1-CG2 4.09Å; I639-I687 HydrophobicContact CD1-CG1 4.14Å; I639-I687 HydrophobicContact CD1-CG2 4.07Å; I679-I687 HydrophobicContact CG2-CG2 3.64Å; I687-F689 HydrophobicContact CB-CE2 4.17Å; I687-F689 HydrophobicContact CG2-CD2 4.15Å; I687-F689 HydrophobicContact CG2-CE2 3.44Å; I687-F689 VanDerWaalsContact CG2-CE2 3.44Å; I687-F689 HydrophobicContact CG2-CZ 3.84Å; I687-S700 CarbonylContact O-C 3.49Å; I687-S700 VanDerWaalsContact O-CA 3.28Å; I687-S700 WeakPolarHBondContact O-CA 3.25Å; I687-V701 PolarHBondContact N-O 2.94Å; I687-V701 PolarHBondContact O-N 2.67Å; I687-V703 HydrophobicContact CD1-CG1 3.55Å; I687-V703 HydrophobicContact CG1-CG1 4.05Å
688N96.2Very high88.4Confident55 Ų5555.6 Ų55.629%0.29427%0.273SS..EExtended strand (participates in β ladder)trans-103.1134.7180-50.2-70.4000110.1I679 S680 W699 S700I679-N688 CarbonylContact C-O 3.57Å; I679-N688 VanDerWaalsContact CA-O 3.31Å; I679-N688 WeakPolarHBondContact CA-O 3.48Å; S680-N688 PolarHBondContact N-O 3.14Å; S680-N688 WeakPolarHBondContact O-CA 3.36Å; S680-N688 WeakPolarHBondContact O-CB 3.26Å; S680-N688 PolarHBondContact O-N 2.75Å; S680-N688 PolarHBondContact O-ND2 3.45Å; N688-W699 WeakPolarHBondContact CA-O 3.17Å; N688-S700 WeakPolarHBondContact OD1-CB 3.47Å; N688-S700 PolarHBondContact OD1-OG 3.46Å
689F95.3Very high88.2Confident5 Ų551.1 Ų51.12%0.02226%0.256CS..EExtended strand (participates in β ladder)trans-115.7138.9175.1-68.2-98000109.7I456 Q457 L460 I679 I687 K698 W699 V701I456-F689 HydrophobicContact CG2-CE1 4.21Å; Q457-F689 HydrophobicContact CB-CE1 4.31Å; Q457-F689 HydrophobicContact CB-CE2 4.4Å; Q457-F689 HydrophobicContact CB-CZ 3.84Å; Q457-F689 HydrophobicContact CG-CE2 4.25Å; Q457-F689 HydrophobicContact CG-CZ 4.16Å; L460-F689 HydrophobicContact CD1-CZ 4.26Å; I679-F689 HydrophobicContact CG1-CD1 3.68Å; I679-F689 HydrophobicContact CG1-CE1 3.63Å; I679-F689 HydrophobicContact CG1-CZ 4.46Å; I679-F689 HydrophobicContact CG2-CE1 4.36Å; I679-F689 HydrophobicContact CG2-CZ 4.42Å; I687-F689 HydrophobicContact CB-CE2 4.17Å; I687-F689 HydrophobicContact CG2-CD2 4.15Å; I687-F689 HydrophobicContact CG2-CE2 3.44Å; I687-F689 VanDerWaalsContact CG2-CE2 3.44Å; I687-F689 HydrophobicContact CG2-CZ 3.84Å; F689-K698 VanDerWaalsContact O-CA 3.27Å; F689-K698 WeakPolarHBondContact O-CA 3.31Å; F689-W699 HydrophobicContact CB-CD2 3.68Å; F689-W699 VanDerWaalsContact CB-CE2 3.41Å; F689-W699 HydrophobicContact CB-CE3 3.85Å; F689-W699 HydrophobicContact CB-CG 4.45Å; F689-W699 HydrophobicContact CB-CH2 3.48Å; F689-W699 VanDerWaalsContact CB-CH2 3.48Å; F689-W699 HydrophobicContact CB-CZ2 3.3Å; F689-W699 HydrophobicContact CB-CZ3 3.76Å; F689-W699 HydrophobicContact CD1-CH2 4.25Å; F689-W699 AromaticContact CD1-CZ2 3.76Å; F689-W699 HydrophobicContact CD1-CZ2 3.76Å; F689-W699 AromaticContact CD2-CE2 3.78Å; F689-W699 AromaticContact CD2-CZ2 3.98Å; F689-W699 HydrophobicContact CD2-CZ2 3.98Å; F689-W699 AromaticContact CD2-NE1 3.59Å; F689-W699 HydrophobicContact CG-CD2 4.36Å; F689-W699 AromaticContact CG-CE2 3.62Å; F689-W699 HydrophobicContact CG-CH2 4.02Å; F689-W699 AromaticContact CG-CZ2 3.41Å; F689-W699 HydrophobicContact CG-CZ2 3.41Å; F689-W699 VanDerWaalsContact CG-CZ2 3.41Å; F689-W699 AromaticContact CG-NE1 3.94Å; F689-W699 PolarHBondContact N-O 2.88Å; F689-W699 PolarHBondContact O-N 2.91Å; F689-W699 VanDerWaalsContact O-N 3.13Å; F689-V701 HydrophobicContact CD2-CG2 4.27Å; F689-V701 HydrophobicContact CE2-CG2 3.98Å
690E94.5Very high88.1Confident46 Ų4653.8 Ų53.822%0.21528%0.275CS..EExtended strand (participates in β ladder)trans-134.7107.4175.2172177-142.200108.9A677 R678 L692 L696 H697 K698A677-E690 CarbonylContact C-O 3.55Å; A677-E690 WeakPolarHBondContact CA-O 3.41Å; A677-E690 WeakPolarHBondContact CB-O 3.18Å; R678-E690 HydrophobicContact CB-CB 4.46Å; R678-E690 PolarHBondContact N-O 2.83Å; R678-E690 PolarHBondContact O-N 3.08Å; E690-L692 HydrophobicContact CG-CD2 3.74Å; E690-L696 HydrophobicContact CG-CD1 4.18Å; E690-H697 CarbonylContact C-O 3.59Å; E690-H697 WeakPolarHBondContact CA-O 3.26Å; E690-K698 HydrophobicContact CB-CG 4.22Å; E690-K698 HydrophobicContact CG-CD 4.38Å; E690-K698 HydrophobicContact CG-CG 4.15Å; E690-K698 WeakPolarHBondContact OE1-CE 3.04Å; E690-K698 IonicContact OE1-NZ 2.79Å; E690-K698 PolarHBondContact OE1-NZ 3.35Å
691V91.6Very high87.9Confident0 Ų051.4 Ų51.40%026%0.258CS..EExtended strand (participates in β ladder)trans-89.9125.7175.3179.60000108.6I453 A677 N693 L696 H697 W699I453-V691 HydrophobicContact CD1-CG2 3.64Å; A677-V691 HydrophobicContact CB-CG2 4.08Å; V691-N693 HydrophobicContact CG1-CB 4.29Å; V691-N693 WeakPolarHBondContact CG1-ND2 2.87Å; V691-L696 WeakPolarHBondContact O-CA 3.48Å; V691-H697 HydrophobicContact CB-CB 4.34Å; V691-H697 PolarHBondContact N-O 3.21Å; V691-H697 PolarHBondContact O-N 3.31Å; V691-W699 HydrophobicContact CG2-CH2 3.76Å; V691-W699 HydrophobicContact CG2-CZ3 3.62Å
692L88Confident87.8Confident53 Ų5352.6 Ų52.628%0.27726%0.262SS..  trans-95.16.8-169-59.6178.9000114.3L675 I676 R678 E690 L696L675-L692 HydrophobicContact CD2-CD1 3.43Å; L675-L692 VanDerWaalsContact CD2-CD1 3.43Å; L675-L692 HydrophobicContact CG-CD1 3.7Å; I676-L692 PolarHBondContact O-N 3.3Å; R678-L692 HydrophobicContact CG-CD1 4.37Å; E690-L692 HydrophobicContact CG-CD2 3.74Å; L692-L696 HydrophobicContact CD2-CD1 4.09Å
693N74.8Confident87.6Confident49 Ų4950.9 Ų50.926%0.26225%0.253SS..SBendtrans-63176.4174.171.625.9000111.4E449 V691 N695 L696E449-N693 PolarHBondContact OE1-ND2 3.07Å; V691-N693 HydrophobicContact CG1-CB 4.29Å; V691-N693 WeakPolarHBondContact CG1-ND2 2.87Å; N693-N695 PolarHBondContact O-N 2.98Å; N693-N695 PolarHBondContact OD1-N 3.02Å; N693-L696 PolarHBondContact O-N 3.4Å
694K59.4Low87.3Confident174 Ų17454.8 Ų54.876%0.75728%0.275SS*.THydrogen-bonded Turntrans-53-19.1-173.7-69.2-177178.3-179.40114.7
695N67.7Low87.3Confident90 Ų9060.8 Ų60.848%0.48130%0.302SS..THydrogen-bonded Turntrans-102.2-2.9-175-64.4-10.8000114.5N693 H697N693-N695 PolarHBondContact O-N 2.98Å; N693-N695 PolarHBondContact OD1-N 3.02Å; N695-H697 WeakPolarHBondContact CB-NE2 3.44Å
696L75.5Confident87.1Confident93 Ų9357.1 Ų57.149%0.48729%0.287SS..  trans35.281.6-179-16873.9000113.9E690 V691 L692 N693E690-L696 HydrophobicContact CG-CD1 4.18Å; V691-L696 WeakPolarHBondContact O-CA 3.48Å; L692-L696 HydrophobicContact CD2-CD1 4.09Å; N693-L696 PolarHBondContact O-N 3.4Å
697H84.1Confident86.8Confident35 Ų3555.9 Ų55.916%0.16228%0.284CS..EExtended strand (participates in β ladder)trans-93.5132.5178.1-64.1-72.3000111.2I504 E690 V691 N695 W699I504-H697 HydrophobicContact CG2-CB 4.12Å; I504-H697 WeakPolarHBondContact CG2-ND1 3.25Å; E690-H697 CarbonylContact C-O 3.59Å; E690-H697 WeakPolarHBondContact CA-O 3.26Å; V691-H697 HydrophobicContact CB-CB 4.34Å; V691-H697 PolarHBondContact N-O 3.21Å; V691-H697 PolarHBondContact O-N 3.31Å; N695-H697 WeakPolarHBondContact CB-NE2 3.44Å; H697-W699 HydrophobicContact CB-CZ3 4.49Å
698K91.3Very high86.3Confident129 Ų12959.7 Ų59.756%0.56131%0.307SS*.EExtended strand (participates in β ladder)trans-130.3134.8176-59.9-172.2-175.2-1560110.8F689 E690F689-K698 VanDerWaalsContact O-CA 3.27Å; F689-K698 WeakPolarHBondContact O-CA 3.31Å; E690-K698 HydrophobicContact CB-CG 4.22Å; E690-K698 HydrophobicContact CG-CD 4.38Å; E690-K698 HydrophobicContact CG-CG 4.15Å; E690-K698 WeakPolarHBondContact OE1-CE 3.04Å; E690-K698 IonicContact OE1-NZ 2.79Å; E690-K698 PolarHBondContact OE1-NZ 3.35Å
699W93Very high86Confident14 Ų1458.1 Ų58.15%0.05330%0.298CS..EExtended strand (participates in β ladder)trans-149.8166.6171.871.2102.8000111.3W450 I453 L501 I504 N688 F689 V691 H697W450-W699 HydrophobicContact CZ3-CH2 4.27Å; I453-W699 HydrophobicContact CG2-CH2 3.57Å; I453-W699 HydrophobicContact CG2-CZ2 3.64Å; L501-W699 HydrophobicContact CD2-CD2 4.42Å; L501-W699 HydrophobicContact CD2-CH2 4.17Å; L501-W699 HydrophobicContact CD2-CZ2 3.57Å; I504-W699 HydrophobicContact CD1-CB 3.98Å; I504-W699 HydrophobicContact CD1-CD2 3.95Å; I504-W699 HydrophobicContact CD1-CE3 3.74Å; I504-W699 HydrophobicContact CD1-CG 4.07Å; N688-W699 WeakPolarHBondContact CA-O 3.17Å; F689-W699 HydrophobicContact CB-CD2 3.68Å; F689-W699 VanDerWaalsContact CB-CE2 3.41Å; F689-W699 HydrophobicContact CB-CE3 3.85Å; F689-W699 HydrophobicContact CB-CG 4.45Å; F689-W699 HydrophobicContact CB-CH2 3.48Å; F689-W699 VanDerWaalsContact CB-CH2 3.48Å; F689-W699 HydrophobicContact CB-CZ2 3.3Å; F689-W699 HydrophobicContact CB-CZ3 3.76Å; F689-W699 HydrophobicContact CD1-CH2 4.25Å; F689-W699 AromaticContact CD1-CZ2 3.76Å; F689-W699 HydrophobicContact CD1-CZ2 3.76Å; F689-W699 AromaticContact CD2-CE2 3.78Å; F689-W699 AromaticContact CD2-CZ2 3.98Å; F689-W699 HydrophobicContact CD2-CZ2 3.98Å; F689-W699 AromaticContact CD2-NE1 3.59Å; F689-W699 HydrophobicContact CG-CD2 4.36Å; F689-W699 AromaticContact CG-CE2 3.62Å; F689-W699 HydrophobicContact CG-CH2 4.02Å; F689-W699 AromaticContact CG-CZ2 3.41Å; F689-W699 HydrophobicContact CG-CZ2 3.41Å; F689-W699 VanDerWaalsContact CG-CZ2 3.41Å; F689-W699 AromaticContact CG-NE1 3.94Å; F689-W699 PolarHBondContact N-O 2.88Å; F689-W699 PolarHBondContact O-N 2.91Å; F689-W699 VanDerWaalsContact O-N 3.13Å; V691-W699 HydrophobicContact CG2-CH2 3.76Å; V691-W699 HydrophobicContact CG2-CZ3 3.62Å; H697-W699 HydrophobicContact CB-CZ3 4.49Å
700S93.5Very high85.8Confident62 Ų6262.2 Ų62.243%0.43433%0.327SS..EExtended strand (participates in β ladder)trans-128.9135.8179.3-57.70000109.4I687 N688I687-S700 CarbonylContact O-C 3.49Å; I687-S700 VanDerWaalsContact O-CA 3.28Å; I687-S700 WeakPolarHBondContact O-CA 3.25Å; N688-S700 WeakPolarHBondContact OD1-CB 3.47Å; N688-S700 PolarHBondContact OD1-OG 3.46Å
701V92Very high85.7Confident6 Ų662.6 Ų62.64%0.03633%0.328CS..EExtended strand (participates in β ladder)trans-106.6112.1176.3-178.20000107.8Q457 T461 I686 I687 F689 V703 L706Q457-V701 HydrophobicContact CG-CG2 4.14Å; T461-V701 HydrophobicContact CG2-CG1 4.09Å; I686-V701 WeakPolarHBondContact CA-O 3.38Å; I687-V701 PolarHBondContact N-O 2.94Å; I687-V701 PolarHBondContact O-N 2.67Å; F689-V701 HydrophobicContact CD2-CG2 4.27Å; F689-V701 HydrophobicContact CE2-CG2 3.98Å; V701-V703 PolarHBondContact O-N 3.35Å; V701-L706 HydrophobicContact CG1-CD1 3.9Å; V701-L706 HydrophobicContact CG1-CD2 3.93Å; V701-L706 HydrophobicContact CG1-CG 4.35Å
702T92.4Very high85.8Confident45 Ų4567 Ų6728%0.27635%0.348SS..EExtended strand (participates in β ladder)trans-85.299173.3-53.50000109K685 I686 N704 Q705K685-T702 CarbonylContact O-C 3.53Å; K685-T702 WeakPolarHBondContact O-CA 3.49Å; I686-T702 HydrophobicContact CG1-CG2 4.38Å; T702-N704 VanDerWaalsContact C-N 3.28Å; T702-N704 PolarHBondContact O-N 3.21Å; T702-Q705 HydrophobicContact CG2-CB 4.2Å; T702-Q705 HydrophobicContact CG2-CG 3.7Å; T702-Q705 PolarHBondContact O-N 2.86Å
703V89.7Confident86.1Confident1 Ų166.3 Ų66.31%0.00635%0.345CS..G310 helixtrans-62.8-33.4-167.3-54.80000113.2T461 H464 K685 I687 V701 Q705 L706T461-V703 HydrophobicContact CG2-CG1 4.29Å; H464-V703 HydrophobicContact CB-CB 4.26Å; H464-V703 HydrophobicContact CB-CG2 3.77Å; K685-V703 PolarHBondContact O-N 3.47Å; I687-V703 HydrophobicContact CD1-CG1 3.55Å; I687-V703 HydrophobicContact CG1-CG1 4.05Å; V701-V703 PolarHBondContact O-N 3.35Å; V703-Q705 PolarHBondContact O-N 3.03Å; V703-L706 HydrophobicContact CB-CD1 4.38Å; V703-L706 WeakPolarHBondContact O-CB 3.28Å; V703-L706 WeakPolarHBondContact O-CG 3.39Å; V703-L706 PolarHBondContact O-N 2.83Å
704N85.9Confident86.9Confident92 Ų9267.1 Ų67.149%0.49234%0.344SS..G310 helixtrans-74.3-8.5-179.8-53.64.5000113.2H464 N684 T702H464-N704 PolarHBondContact CD2-OD1 3.18Å; H464-N704 PolarHBondContact CE1-OD1 2.77Å; H464-N704 PolarHBondContact ND1-OD1 2.96Å; H464-N704 PolarHBondContact NE2-OD1 2.8Å; N684-N704 PolarHBondContact O-OD1 2.71Å; T702-N704 VanDerWaalsContact C-N 3.28Å; T702-N704 PolarHBondContact O-N 3.21Å
705Q88.6Confident88.6Confident156 Ų15662.3 Ų62.373%0.72933%0.33SS*.G310 helixtrans-102-3.4178-67.1176-12.100112.3T702 V703T702-Q705 HydrophobicContact CG2-CB 4.2Å; T702-Q705 HydrophobicContact CG2-CG 3.7Å; T702-Q705 PolarHBondContact O-N 2.86Å; V703-Q705 PolarHBondContact O-N 3.03Å
706L87.4Confident89.8Confident21 Ų2161 Ų6111%0.1132%0.323CS..SBendtrans-76.1145.2179.4-57174.9000110.5H435 L438 T461 E498 V701 V703 V708H435-L706 VanDerWaalsContact CE1-CB 3.42Å; H435-L706 WeakPolarHBondContact CE1-CB 3.41Å; L438-L706 HydrophobicContact CD1-CD1 4.2Å; T461-L706 HydrophobicContact CG2-CD1 3.56Å; E498-L706 WeakPolarHBondContact OE1-CD2 3.45Å; V701-L706 HydrophobicContact CG1-CD1 3.9Å; V701-L706 HydrophobicContact CG1-CD2 3.93Å; V701-L706 HydrophobicContact CG1-CG 4.35Å; V703-L706 HydrophobicContact CB-CD1 4.38Å; V703-L706 WeakPolarHBondContact O-CB 3.28Å; V703-L706 WeakPolarHBondContact O-CG 3.39Å; V703-L706 PolarHBondContact O-N 2.83Å; L706-V708 PolarHBondContact O-N 2.9Å
707P86Confident90.6Very high48 Ų4863.5 Ų63.531%0.31233%0.332SS..PPolyproline II helixtrans-63.8128.4173.827.5-33.6000110.2H435 E498 F709H435-P707 PolarHBondContact ND1-O 2.97Å; E498-P707 WeakPolarHBondContact OE1-CD 3.49Å; P707-F709 HydrophobicContact CB-CE2 3.89Å; P707-F709 HydrophobicContact CB-CZ 4.48Å; P707-F709 HydrophobicContact CG-CE2 4.04Å
708V86.3Confident91Very high80 Ų8068.3 Ų68.349%0.48535%0.354SS..PPolyproline II helixtrans-102.2129.3174.1177.90000108.6A434 L706A434-V708 HydrophobicContact CB-CG1 4.39Å; A434-V708 WeakPolarHBondContact O-CA 3.29Å; L706-V708 PolarHBondContact O-N 2.9Å
709F89.2Confident91Very high21 Ų2162.4 Ų62.49%0.09233%0.329CS..PPolyproline II helixtrans-104126.1-179.1-67.3-106.7000110.4A434 P436 N437 W488 V490 Q494 P707A434-F709 PolarHBondContact O-N 2.72Å; A434-F709 VanDerWaalsContact O-N 3.07Å; P436-F709 HydrophobicContact CG-CB 3.52Å; P436-F709 HydrophobicContact CG-CD1 4.15Å; P436-F709 HydrophobicContact CG-CD2 3.64Å; P436-F709 HydrophobicContact CG-CE2 4.36Å; P436-F709 HydrophobicContact CG-CG 3.5Å; P436-F709 VanDerWaalsContact CG-CG 3.5Å; N437-F709 HydrophobicContact CB-CE2 4.03Å; N437-F709 HydrophobicContact CB-CZ 4.18Å; W488-F709 PolarHBondContact NE1-O 3.16Å; V490-F709 HydrophobicContact CG1-CE1 4.12Å; V490-F709 HydrophobicContact CG1-CZ 4.29Å; Q494-F709 HydrophobicContact CB-CE1 4.31Å; Q494-F709 HydrophobicContact CB-CZ 3.92Å; P707-F709 HydrophobicContact CB-CE2 3.89Å; P707-F709 HydrophobicContact CB-CZ 4.48Å; P707-F709 HydrophobicContact CG-CE2 4.04Å
710S90Very high90.8Very high91 Ų9164.7 Ų64.764%0.63634%0.34SS*.PPolyproline II helixtrans-70.6138.4175.8-66.60000111.1
711K93.1Very high90.7Very high54 Ų5464.4 Ų64.424%0.23534%0.336CS..PPolyproline II helixtrans-74.7136.917160.2-175.6-176.8-81.90110.9E427 N431 C486 S487 W488 I713E427-K711 WeakPolarHBondContact OE1-CE 3.2Å; E427-K711 IonicContact OE1-NZ 3.16Å; E427-K711 PolarHBondContact OE1-NZ 2.81Å; N431-K711 PolarHBondContact OD1-NZ 3.4Å; C486-K711 HydrophobicContact CB-CB 4.29Å; S487-K711 CarbonylContact O-C 3.59Å; S487-K711 WeakPolarHBondContact O-CA 3.2Å; W488-K711 HydrophobicContact CD2-CB 4.3Å; W488-K711 HydrophobicContact CH2-CB 4.36Å; W488-K711 HydrophobicContact CZ2-CB 3.64Å; W488-K711 HydrophobicContact CZ2-CD 4.41Å; K711-I713 HydrophobicContact CD-CD1 3.85Å; K711-I713 HydrophobicContact CG-CD1 3.88Å; K711-I713 HydrophobicContact CG-CG1 4.3Å
712H94.3Very high90.6Very high93 Ų9364.9 Ų64.943%0.43134%0.338SS..BIsolated β-bridgetrans-89.8131.3171.6-65.3-101.6000109.5C486 S487C486-H712 CarbonylContact C-O 3.55Å; C486-H712 WeakPolarHBondContact CA-O 3.35Å; C486-H712 VanDerWaalsContact CB-O 3.24Å; C486-H712 WeakPolarHBondContact CB-O 3.45Å; S487-H712 PolarHBondContact N-O 2.81Å; S487-H712 PolarHBondContact O-N 3.07Å
713I94.1Very high90.8Very high39 Ų3962.9 Ų62.920%0.233%0.326CS..  trans-137.5136-176.2-60.7166.6000107.9F484 C486 K711F484-I713 HydrophobicContact CE2-CD1 4.28Å; F484-I713 HydrophobicContact CZ-CD1 3.66Å; F484-I713 HydrophobicContact CZ-CG1 4.29Å; C486-I713 HydrophobicContact CB-CD1 4.42Å; C486-I713 HydrophobicContact CB-CG1 3.64Å; K711-I713 HydrophobicContact CD-CD1 3.85Å; K711-I713 HydrophobicContact CG-CD1 3.88Å; K711-I713 HydrophobicContact CG-CG1 4.3Å
714R91.7Very high91.2Very high66 Ų6663 Ų6325%0.24933%0.326CS..  trans-57.7144.1176.9-67.4-170-64.5-93.11.2111.4Q719 E723R714-Q719 HydrophobicContact CB-CG 4.33Å; R714-Q719 PolarHBondContact O-NE2 3.05Å; R714-E723 IonicContact CZ-OE1 3.08Å; R714-E723 IonicContact CZ-OE2 3.62Å; R714-E723 IonicContact NE-OE1 3.99Å; R714-E723 IonicContact NH2-OE1 2.64Å; R714-E723 PolarHBondContact NH2-OE1 3.04Å; R714-E723 IonicContact NH2-OE2 2.57Å; R714-E723 PolarHBondContact NH2-OE2 3.32Å
715P94.1Very high91.7Very high72 Ų7263.1 Ų63.147%0.46832%0.32SS..  trans-53.6149.2170.6-24.733.9000112.1E717 H718 Q719P715-E717 HydrophobicContact CB-CG 3.98Å; P715-E717 PolarHBondContact O-N 2.79Å; P715-H718 PolarHBondContact O-N 3.49Å; P715-Q719 PolarHBondContact O-N 3.1Å
716I92.9Very high92.1Very high64 Ų6459.8 Ų59.833%0.32830%0.301SS..G310 helixtrans-59.5-35.7-172.4-70.3176.2000111.7H718 Q719 R726I716-H718 PolarHBondContact O-N 3.39Å; I716-Q719 WeakPolarHBondContact O-CB 3.5Å; I716-Q719 PolarHBondContact O-N 2.92Å; I716-R726 HydrophobicContact CG2-CB 4.11Å; I716-R726 HydrophobicContact CG2-CG 4.23Å
717E92.1Very high92.5Very high145 Ų14560.1 Ų60.168%0.67830%0.302SS*.G310 helixtrans-61.7-26.5175.951.1-95-138.300113.7P715P715-E717 HydrophobicContact CB-CG 3.98Å; P715-E717 PolarHBondContact O-N 2.79Å
718H92.7Very high93Very high135 Ų13558 Ų5863%0.62529%0.288SS*.G310 helixtrans-98.8-2177.8-71.8-92.1000113.3P715 I716P715-H718 PolarHBondContact O-N 3.49Å; I716-H718 PolarHBondContact O-N 3.39Å
719Q91.8Very high93.5Very high6 Ų657.9 Ų57.93%0.02828%0.282CS..SBendtrans-83.6147.5177.5-74.2176.926.600111.4R714 P715 I716 E723 R726R714-Q719 HydrophobicContact CB-CG 4.33Å; R714-Q719 PolarHBondContact O-NE2 3.05Å; P715-Q719 PolarHBondContact O-N 3.1Å; I716-Q719 WeakPolarHBondContact O-CB 3.5Å; I716-Q719 PolarHBondContact O-N 2.92Å; Q719-E723 WeakPolarHBondContact CA-OE1 3.31Å; Q719-E723 HydrophobicContact CB-CB 4Å; Q719-E723 HydrophobicContact CB-CG 4.34Å; Q719-E723 HydrophobicContact CG-CB 4.37Å; Q719-R726 HydrophobicContact CB-CB 3.92Å; Q719-R726 WeakPolarHBondContact O-CD 3.5Å; Q719-R726 PolarHBondContact O-NH1 3.19Å
720Q89.4Confident93.8Very high62 Ų6260.9 Ų60.929%0.2930%0.299SS..  trans-68.7154.6171.7-59.6-63-1400111.5D347 E722 E723 R726D347-Q720 PolarHBondContact OD1-NE2 3.18Å; Q720-E722 HydrophobicContact CB-CG 4.44Å; Q720-E722 WeakPolarHBondContact CB-OE1 3.47Å; Q720-E722 PolarHBondContact O-N 2.79Å; Q720-E722 VanDerWaalsContact O-N 3.1Å; Q720-E723 HydrophobicContact CB-CG 4.06Å; Q720-E723 PolarHBondContact N-OE1 3.24Å; Q720-E723 WeakPolarHBondContact O-CB 3.49Å; Q720-E723 PolarHBondContact O-N 2.54Å; Q720-R726 WeakPolarHBondContact O-CD 3.21Å
721P91.3Very high94.1Very high55 Ų5556.6 Ų56.636%0.35727%0.27SS..THydrogen-bonded Turntrans-54.9-30.2-176.7-27.535.9000115.4
722E90Very high94.3Very high16 Ų1655.2 Ų55.28%0.07527%0.265CS..THydrogen-bonded Turntrans-83.9-9.717864.7-86.1-159.800115E482 T483 Q720 K771E482-E722 WeakPolarHBondContact CA-O 3.13Å; T483-E722 HydrophobicContact CG2-CG 4.31Å; T483-E722 PolarHBondContact N-O 2.79Å; T483-E722 VanDerWaalsContact N-O 3.07Å; Q720-E722 HydrophobicContact CB-CG 4.44Å; Q720-E722 WeakPolarHBondContact CB-OE1 3.47Å; Q720-E722 PolarHBondContact O-N 2.79Å; Q720-E722 VanDerWaalsContact O-N 3.1Å; E722-K771 IonicContact OE1-NZ 3.97Å; E722-K771 PolarHBondContact OE1-NZ 3.49Å; E722-K771 IonicContact OE2-NZ 3.78Å
723E96.2Very high94.4Very high4 Ų457.4 Ų57.42%0.01927%0.274CS..BIsolated β-bridgetrans-70.9134.2-180-66.6-165.3-113.900110.4T483 H485 R714 Q719 Q720 R725 R726 L727T483-E723 CarbonylContact O-C 3.6Å; T483-E723 VanDerWaalsContact O-CA 3.26Å; T483-E723 WeakPolarHBondContact O-CA 3.36Å; H485-E723 IonicContact CE1-OE2 3.95Å; H485-E723 IonicContact CG-OE2 2.78Å; H485-E723 IonicContact ND1-OE2 3.92Å; H485-E723 PolarHBondContact ND1-OE2 3.33Å; R714-E723 IonicContact CZ-OE1 3.08Å; R714-E723 IonicContact CZ-OE2 3.62Å; R714-E723 IonicContact NE-OE1 3.99Å; R714-E723 IonicContact NH2-OE1 2.64Å; R714-E723 PolarHBondContact NH2-OE1 3.04Å; R714-E723 IonicContact NH2-OE2 2.57Å; R714-E723 PolarHBondContact NH2-OE2 3.32Å; Q719-E723 WeakPolarHBondContact CA-OE1 3.31Å; Q719-E723 HydrophobicContact CB-CB 4Å; Q719-E723 HydrophobicContact CB-CG 4.34Å; Q719-E723 HydrophobicContact CG-CB 4.37Å; Q720-E723 HydrophobicContact CB-CG 4.06Å; Q720-E723 PolarHBondContact N-OE1 3.24Å; Q720-E723 WeakPolarHBondContact O-CB 3.49Å; Q720-E723 PolarHBondContact O-N 2.54Å; E723-R725 VanDerWaalsContact C-N 3.31Å; E723-R725 PolarHBondContact O-N 3.12Å; E723-R725 VanDerWaalsContact O-N 3.08Å; E723-R726 PolarHBondContact O-N 2.81Å; E723-R726 VanDerWaalsContact O-N 3.07Å; E723-L727 VanDerWaalsContact O-CB 3.31Å; E723-L727 WeakPolarHBondContact O-CB 3.05Å; E723-L727 PolarHBondContact O-N 3.28Å
724S97.1Very high94.5Very high2 Ų255.6 Ų55.61%0.01427%0.265CS..Hα-helixtrans-50.2-45.7-165.7-600000113.8S424 E482 T483 L727 W728S424-S724 WeakPolarHBondContact OG-CB 3.42Å; S424-S724 PolarHBondContact OG-OG 3.24Å; E482-S724 WeakPolarHBondContact CG-OG 3.45Å; E482-S724 WeakPolarHBondContact OE1-CB 3.35Å; E482-S724 PolarHBondContact OE1-OG 3.35Å; T483-S724 PolarHBondContact O-N 2.95Å; T483-S724 PolarHBondContact O-OG 2.88Å; S724-L727 PolarHBondContact O-N 3.35Å; S724-W728 VanDerWaalsContact O-CB 3.31Å; S724-W728 WeakPolarHBondContact O-CB 3.32Å; S724-W728 PolarHBondContact O-N 3.12Å
725R96.8Very high94.6Very high96 Ų9653.1 Ų53.136%0.36226%0.257SS..Hα-helixtrans-69.7-41.2-176.4-73.7-176.2175.2-163.8-3.8112.2E427 F484 E723 Q729E427-R725 IonicContact OE1-CZ 3.93Å; E427-R725 IonicContact OE1-NE 3.76Å; E427-R725 PolarHBondContact OE1-NE 3.22Å; E427-R725 IonicContact OE1-NH2 2.92Å; E427-R725 PolarHBondContact OE1-NH2 3.11Å; E427-R725 IonicContact OE2-CZ 2.76Å; E427-R725 IonicContact OE2-NE 2.96Å; E427-R725 PolarHBondContact OE2-NE 3.43Å; E427-R725 VanDerWaalsContact OE2-NE 3.11Å; E427-R725 IonicContact OE2-NH2 2.68Å; F484-R725 HydrophobicContact CE2-CG 4.28Å; E723-R725 VanDerWaalsContact C-N 3.31Å; E723-R725 PolarHBondContact O-N 3.12Å; E723-R725 VanDerWaalsContact O-N 3.08Å; R725-Q729 WeakPolarHBondContact O-CA 3.44Å; R725-Q729 WeakPolarHBondContact O-CB 3.28Å; R725-Q729 PolarHBondContact O-N 3.34Å
726R96.6Very high94.5Very high85 Ų8556.1 Ų56.132%0.32126%0.262SS..Hα-helixtrans-67.3-41.4173.3-178.3170.1175.1165.72.3112.2I716 Q719 Q720 E723 Q729I716-R726 HydrophobicContact CG2-CB 4.11Å; I716-R726 HydrophobicContact CG2-CG 4.23Å; Q719-R726 HydrophobicContact CB-CB 3.92Å; Q719-R726 WeakPolarHBondContact O-CD 3.5Å; Q719-R726 PolarHBondContact O-NH1 3.19Å; Q720-R726 WeakPolarHBondContact O-CD 3.21Å; E723-R726 PolarHBondContact O-N 2.81Å; E723-R726 VanDerWaalsContact O-N 3.07Å; R726-Q729 WeakPolarHBondContact O-CG 3.14Å; R726-Q729 PolarHBondContact O-NE2 3.29Å
727L95.8Very high94.6Very high28 Ų2857.9 Ų57.915%0.14727%0.272CS..Hα-helixtrans-62.9-48179.4-179.269.7000111.6I479 E482 E723 S724 L750I479-L727 HydrophobicContact CD1-CD1 3.94Å; I479-L727 HydrophobicContact CD1-CD2 3.55Å; I479-L727 HydrophobicContact CD1-CG 4.33Å; I479-L727 HydrophobicContact CG1-CD2 3.66Å; E482-L727 HydrophobicContact CB-CD2 4.2Å; E482-L727 HydrophobicContact CG-CD2 3.72Å; E482-L727 WeakPolarHBondContact OE2-CD2 3.36Å; E723-L727 VanDerWaalsContact O-CB 3.31Å; E723-L727 WeakPolarHBondContact O-CB 3.05Å; E723-L727 PolarHBondContact O-N 3.28Å; S724-L727 PolarHBondContact O-N 3.35Å; L727-L750 HydrophobicContact CD1-CD1 4.25Å; L727-L750 HydrophobicContact CG-CD1 4.04Å
728W96.9Very high94.6Very high4 Ų457 Ų572%0.01527%0.265CS..Hα-helixtrans-89.72.3-177.2-67.3102.1000114.1Y476 I479 E482 S724 N730 V731 T732 K747 L750Y476-W728 HydrophobicContact CD1-CE3 4.2Å; Y476-W728 HydrophobicContact CD1-CZ3 4.43Å; Y476-W728 HydrophobicContact CD2-CB 3.8Å; Y476-W728 AromaticContact CD2-CD1 3.92Å; Y476-W728 AromaticContact CD2-CD2 3.61Å; Y476-W728 HydrophobicContact CD2-CD2 3.61Å; Y476-W728 HydrophobicContact CD2-CE3 4.01Å; Y476-W728 AromaticContact CD2-CG 3.5Å; Y476-W728 HydrophobicContact CD2-CG 3.5Å; Y476-W728 VanDerWaalsContact CD2-CG 3.5Å; Y476-W728 HydrophobicContact CE2-CB 3.67Å; Y476-W728 HydrophobicContact CE2-CD2 4.21Å; Y476-W728 HydrophobicContact CE2-CE3 4.39Å; Y476-W728 AromaticContact CE2-CG 3.91Å; Y476-W728 HydrophobicContact CE2-CG 3.91Å; Y476-W728 AromaticContact CG-CD2 3.8Å; Y476-W728 HydrophobicContact CG-CD2 3.8Å; Y476-W728 AromaticContact CG-CE3 3.9Å; Y476-W728 HydrophobicContact CG-CE3 3.9Å; Y476-W728 HydrophobicContact CG-CG 4.19Å; Y476-W728 HydrophobicContact CG-CZ3 4.33Å; I479-W728 HydrophobicContact CG2-CZ2 4.29Å; E482-W728 VanDerWaalsContact CD-NE1 3.31Å; E482-W728 PolarHBondContact OE1-NE1 3.2Å; E482-W728 PolarHBondContact OE2-NE1 3.21Å; S724-W728 VanDerWaalsContact O-CB 3.31Å; S724-W728 WeakPolarHBondContact O-CB 3.32Å; S724-W728 PolarHBondContact O-N 3.12Å; W728-N730 VanDerWaalsContact C-N 3.26Å; W728-N730 PolarHBondContact O-N 3.07Å; W728-V731 HydrophobicContact CE3-CB 4.17Å; W728-V731 HydrophobicContact CE3-CG1 4.5Å; W728-V731 HydrophobicContact CE3-CG2 3.88Å; W728-V731 HydrophobicContact CZ3-CG2 4.24Å; W728-V731 WeakPolarHBondContact O-CB 3.27Å; W728-V731 PolarHBondContact O-N 3.09Å; W728-T732 PolarHBondContact O-N 3.38Å; W728-T732 PolarHBondContact O-OG1 3.36Å; W728-K747 HydrophobicContact CZ3-CG 4.27Å; W728-L750 HydrophobicContact CD2-CD1 4.07Å; W728-L750 HydrophobicContact CE3-CD1 3.86Å; W728-L750 HydrophobicContact CH2-CD1 4.28Å; W728-L750 HydrophobicContact CH2-CD2 3.82Å; W728-L750 HydrophobicContact CZ2-CD1 4.48Å; W728-L750 HydrophobicContact CZ2-CD2 4.06Å; W728-L750 HydrophobicContact CZ3-CD1 3.96Å; W728-L750 HydrophobicContact CZ3-CD2 4.24Å
729Q96.7Very high94.6Very high77 Ų7756.2 Ų56.236%0.3626%0.261SS..Hα-helixtrans-51.3-39.8-170.970.2-174.3-51.400114.3R725 R726 K733R725-Q729 WeakPolarHBondContact O-CA 3.44Å; R725-Q729 WeakPolarHBondContact O-CB 3.28Å; R725-Q729 PolarHBondContact O-N 3.34Å; R726-Q729 WeakPolarHBondContact O-CG 3.14Å; R726-Q729 PolarHBondContact O-NE2 3.29Å; Q729-K733 VanDerWaalsContact O-CB 3.24Å; Q729-K733 WeakPolarHBondContact O-CB 3.07Å; Q729-K733 PolarHBondContact O-N 3.17Å
730N96.9Very high94.5Very high84 Ų8458.3 Ų58.345%0.44927%0.269SS..Hα-helixtrans-72.7-36.3-177.5-70.9-31000111.8W728 A734 K746W728-N730 VanDerWaalsContact C-N 3.26Å; W728-N730 PolarHBondContact O-N 3.07Å; N730-A734 WeakPolarHBondContact O-CB 3.21Å; N730-A734 PolarHBondContact O-N 3.05Å; N730-A734 VanDerWaalsContact O-N 3.16Å; N730-K746 HydrophobicContact CB-CB 4.23Å; N730-K746 HydrophobicContact CB-CD 4.13Å; N730-K746 HydrophobicContact CB-CG 4.14Å
731V96.7Very high94.7Very high2 Ų262.1 Ų62.11%0.01229%0.292CS..Hα-helixtrans-67.8-49.7174.3-1780000109.1Y476 W728 K733 A734 L735 K746 K747Y476-V731 HydrophobicContact CE1-CG1 3.8Å; W728-V731 HydrophobicContact CE3-CB 4.17Å; W728-V731 HydrophobicContact CE3-CG1 4.5Å; W728-V731 HydrophobicContact CE3-CG2 3.88Å; W728-V731 HydrophobicContact CZ3-CG2 4.24Å; W728-V731 WeakPolarHBondContact O-CB 3.27Å; W728-V731 PolarHBondContact O-N 3.09Å; V731-K733 PolarHBondContact O-N 3.19Å; V731-A734 PolarHBondContact O-N 3.27Å; V731-A734 VanDerWaalsContact O-N 3.14Å; V731-L735 HydrophobicContact CG1-CD1 4.33Å; V731-L735 HydrophobicContact CG1-CG 4.48Å; V731-L735 WeakPolarHBondContact O-CG 3.47Å; V731-L735 PolarHBondContact O-N 2.94Å; V731-K746 HydrophobicContact CG2-CB 4.01Å; V731-K747 HydrophobicContact CG1-CB 4.43Å; V731-K747 HydrophobicContact CG2-CB 4.04Å
732T96.3Very high94.9Very high24 Ų2462.6 Ų62.615%0.14729%0.291CS..Hα-helixtrans-60.2-43.5178.8-63.40000112E422 Y476 W728 A734 L735 K736E422-T732 HydrophobicContact CB-CG2 4.05Å; E422-T732 HydrophobicContact CG-CG2 4.47Å; E422-T732 PolarHBondContact O-OG1 2.58Å; Y476-T732 WeakPolarHBondContact CE2-OG1 3.2Å; Y476-T732 WeakPolarHBondContact OH-CA 3.37Å; Y476-T732 PolarHBondContact OH-N 3.4Å; Y476-T732 PolarHBondContact OH-OG1 3.41Å; W728-T732 PolarHBondContact O-N 3.38Å; W728-T732 PolarHBondContact O-OG1 3.36Å; T732-A734 VanDerWaalsContact C-N 3.33Å; T732-A734 PolarHBondContact O-N 3.21Å; T732-L735 PolarHBondContact O-N 3.32Å; T732-K736 HydrophobicContact CG2-CD 4.41Å; T732-K736 HydrophobicContact CG2-CG 4.49Å; T732-K736 WeakPolarHBondContact O-CG 3.06Å; T732-K736 PolarHBondContact O-N 3.26Å
733K96.5Very high95.1Very high139 Ų13961.8 Ų61.860%0.60429%0.287SS*.Hα-helixtrans-59.4-42.4175-176.1176.6-178.2174.80112Q729 V731 L737Q729-K733 VanDerWaalsContact O-CB 3.24Å; Q729-K733 WeakPolarHBondContact O-CB 3.07Å; Q729-K733 PolarHBondContact O-N 3.17Å; V731-K733 PolarHBondContact O-N 3.19Å; K733-L737 HydrophobicContact CG-CD1 4.26Å; K733-L737 VanDerWaalsContact O-CG 3.28Å; K733-L737 WeakPolarHBondContact O-CG 3.24Å; K733-L737 PolarHBondContact O-N 2.71Å
734A96.6Very high95Very high2 Ų263.9 Ų63.92%0.01730%0.3CS..Hα-helixtrans-67.8-38.8177.800000112.5N730 V731 T732 L737 K738 K739 L742 A743N730-A734 WeakPolarHBondContact O-CB 3.21Å; N730-A734 PolarHBondContact O-N 3.05Å; N730-A734 VanDerWaalsContact O-N 3.16Å; V731-A734 PolarHBondContact O-N 3.27Å; V731-A734 VanDerWaalsContact O-N 3.14Å; T732-A734 VanDerWaalsContact C-N 3.33Å; T732-A734 PolarHBondContact O-N 3.21Å; A734-L737 PolarHBondContact O-N 3.38Å; A734-K738 PolarHBondContact O-N 3.43Å; A734-K739 PolarHBondContact O-N 3.24Å; A734-L742 HydrophobicContact CB-CB 4.21Å; A734-L742 HydrophobicContact CB-CD2 4.14Å; A734-L742 HydrophobicContact CB-CG 3.98Å; A734-A743 HydrophobicContact CB-CB 3.74Å
735L93.3Very high95Very high14 Ų1468.6 Ų68.67%0.07332%0.322CS..Hα-helixtrans-64.2-46.2174.9-70.6-178.7000112.3T417 L420 E422 Y476 V731 T732 L737 K738 F740 A743T417-L735 WeakPolarHBondContact O-CD2 3.27Å; L420-L735 HydrophobicContact CB-CD1 4.15Å; E422-L735 HydrophobicContact CG-CB 4.41Å; E422-L735 HydrophobicContact CG-CD1 4.48Å; Y476-L735 HydrophobicContact CE1-CD1 3.97Å; Y476-L735 VanDerWaalsContact OH-CD1 3.25Å; Y476-L735 WeakPolarHBondContact OH-CD1 3.47Å; V731-L735 HydrophobicContact CG1-CD1 4.33Å; V731-L735 HydrophobicContact CG1-CG 4.48Å; V731-L735 WeakPolarHBondContact O-CG 3.47Å; V731-L735 PolarHBondContact O-N 2.94Å; T732-L735 PolarHBondContact O-N 3.32Å; L735-L737 PolarHBondContact O-N 3.32Å; L735-K738 WeakPolarHBondContact O-CA 3.08Å; L735-K738 PolarHBondContact O-N 3.11Å; L735-F740 HydrophobicContact CD2-CD1 4.13Å; L735-F740 HydrophobicContact CD2-CE1 4.38Å; L735-A743 HydrophobicContact CD2-CB 3.72Å; L735-A743 HydrophobicContact CG-CB 4.07Å
736K93Very high95Very high134 Ų13466.5 Ų66.558%0.58332%0.316SS*.Hα-helixtrans-58.2-36.7176-75.2-173.5174.3-166.20112.6E422 T732 K738E422-K736 WeakPolarHBondContact OE2-CE 3.35Å; E422-K736 VanDerWaalsContact OE2-CG 3.27Å; E422-K736 WeakPolarHBondContact OE2-CG 3.43Å; T732-K736 HydrophobicContact CG2-CD 4.41Å; T732-K736 HydrophobicContact CG2-CG 4.49Å; T732-K736 WeakPolarHBondContact O-CG 3.06Å; T732-K736 PolarHBondContact O-N 3.26Å; K736-K738 PolarHBondContact O-N 2.84Å
737L94.2Very high94.9Very high101 Ų10163.6 Ų63.653%0.52931%0.305SS..THydrogen-bonded Turntrans-80.54.9175.7-65.5174.1000113.6K733 A734 L735 K739K733-L737 HydrophobicContact CG-CD1 4.26Å; K733-L737 VanDerWaalsContact O-CG 3.28Å; K733-L737 WeakPolarHBondContact O-CG 3.24Å; K733-L737 PolarHBondContact O-N 2.71Å; A734-L737 PolarHBondContact O-N 3.38Å; L735-L737 PolarHBondContact O-N 3.32Å; L737-K739 HydrophobicContact CB-CD 4.33Å; L737-K739 HydrophobicContact CB-CG 4.11Å; L737-K739 PolarHBondContact O-N 3.36Å; L737-K739 VanDerWaalsContact O-N 3.12Å
738K91.4Very high94.7Very high126 Ų12667.9 Ų67.955%0.54833%0.325SS..THydrogen-bonded Turntrans52.327.7-173.2-62.4-179.4172.7-179.10113.9D386 A734 L735 K736 F740D386-K738 IonicContact OD2-NZ 3.88Å; D386-K738 PolarHBondContact OD2-NZ 2.72Å; A734-K738 PolarHBondContact O-N 3.43Å; L735-K738 WeakPolarHBondContact O-CA 3.08Å; L735-K738 PolarHBondContact O-N 3.11Å; K736-K738 PolarHBondContact O-N 2.84Å; K738-F740 HydrophobicContact CB-CZ 4.39Å; K738-F740 PolarHBondContact O-N 3.27Å
739K92.8Very high94.6Very high120 Ų12071.7 Ų71.752%0.52234%0.343SS..  trans-93.175.2177.4-66.2-174.5179.6-176.90110.1A734 L737 D741 L742 A743A734-K739 PolarHBondContact O-N 3.24Å; L737-K739 HydrophobicContact CB-CD 4.33Å; L737-K739 HydrophobicContact CB-CG 4.11Å; L737-K739 PolarHBondContact O-N 3.36Å; L737-K739 VanDerWaalsContact O-N 3.12Å; K739-D741 PolarHBondContact O-N 3.04Å; K739-L742 HydrophobicContact CB-CB 3.99Å; K739-L742 HydrophobicContact CB-CD2 4.43Å; K739-L742 HydrophobicContact CD-CD2 4.2Å; K739-L742 PolarHBondContact O-N 3.42Å; K739-A743 PolarHBondContact O-N 3.23Å
740F91.2Very high94.3Very high49 Ų4968.5 Ų68.522%0.21533%0.328CS..Hα-helixtrans-64-34.2-171.4-58.7-59.3000114.5T417 F418 L735 K738 A743 T744T417-F740 PolarHBondContact OG1-O 2.99Å; T417-F740 VanDerWaalsContact OG1-O 3.04Å; F418-F740 HydrophobicContact CB-CD1 3.57Å; F418-F740 HydrophobicContact CB-CD2 4.25Å; F418-F740 HydrophobicContact CB-CE1 3.48Å; F418-F740 VanDerWaalsContact CB-CE1 3.48Å; F418-F740 HydrophobicContact CB-CE2 4.16Å; F418-F740 HydrophobicContact CB-CG 3.97Å; F418-F740 HydrophobicContact CB-CZ 3.79Å; L735-F740 HydrophobicContact CD2-CD1 4.13Å; L735-F740 HydrophobicContact CD2-CE1 4.38Å; K738-F740 HydrophobicContact CB-CZ 4.39Å; K738-F740 PolarHBondContact O-N 3.27Å; F740-A743 PolarHBondContact O-N 2.7Å; F740-T744 PolarHBondContact O-N 2.79Å; F740-T744 PolarHBondContact O-OG1 3.08Å
741D92.1Very high94Very high143 Ų14366.8 Ų66.877%0.76532%0.317SS*.Hα-helixtrans-64.3-46.1174.9-65.8-32.3000111.2K739 A743 T744 E745K739-D741 PolarHBondContact O-N 3.04Å; D741-A743 VanDerWaalsContact C-N 3.34Å; D741-A743 PolarHBondContact O-N 2.84Å; D741-T744 WeakPolarHBondContact O-CB 3.34Å; D741-T744 PolarHBondContact O-N 3Å; D741-T744 VanDerWaalsContact O-N 3.12Å; D741-E745 PolarHBondContact O-N 3.39Å
742L95.5Very high93.6Very high64 Ų6470.2 Ų70.234%0.33533%0.333SS..Hα-helixtrans-64-39.2175.7-178.563.1000111.6A734 K739 T744 E745 K746A734-L742 HydrophobicContact CB-CB 4.21Å; A734-L742 HydrophobicContact CB-CD2 4.14Å; A734-L742 HydrophobicContact CB-CG 3.98Å; K739-L742 HydrophobicContact CB-CB 3.99Å; K739-L742 HydrophobicContact CB-CD2 4.43Å; K739-L742 HydrophobicContact CD-CD2 4.2Å; K739-L742 PolarHBondContact O-N 3.42Å; L742-T744 VanDerWaalsContact C-N 3.26Å; L742-T744 PolarHBondContact O-N 3.04Å; L742-E745 PolarHBondContact O-N 3.4Å; L742-K746 HydrophobicContact CD1-CG 4.28Å; L742-K746 WeakPolarHBondContact O-CG 3.46Å; L742-K746 PolarHBondContact O-N 3.12Å
743A95.4Very high93.2Very high0 Ų073.8 Ų73.80%034%0.344CS..Hα-helixtrans-61.7-38.1174.300000111.3T417 A734 L735 K739 F740 D741 K747T417-A743 HydrophobicContact CG2-CB 4.25Å; A734-A743 HydrophobicContact CB-CB 3.74Å; L735-A743 HydrophobicContact CD2-CB 3.72Å; L735-A743 HydrophobicContact CG-CB 4.07Å; K739-A743 PolarHBondContact O-N 3.23Å; F740-A743 PolarHBondContact O-N 2.7Å; D741-A743 VanDerWaalsContact C-N 3.34Å; D741-A743 PolarHBondContact O-N 2.84Å; A743-K747 WeakPolarHBondContact O-CB 3.37Å; A743-K747 PolarHBondContact O-N 3.14Å
744T94Very high92.7Very high47 Ų4768.3 Ų68.329%0.28832%0.321SS..Hα-helixtrans-66.5-46.8177.1-56.80000111.1T417 F740 D741 L742 K747 Q748T417-T744 VanDerWaalsContact CG2-OG1 3.31Å; T417-T744 WeakPolarHBondContact CG2-OG1 3.24Å; T417-T744 PolarHBondContact OG1-OG1 2.72Å; T417-T744 VanDerWaalsContact OG1-OG1 3.13Å; F740-T744 PolarHBondContact O-N 2.79Å; F740-T744 PolarHBondContact O-OG1 3.08Å; D741-T744 WeakPolarHBondContact O-CB 3.34Å; D741-T744 PolarHBondContact O-N 3Å; D741-T744 VanDerWaalsContact O-N 3.12Å; L742-T744 VanDerWaalsContact C-N 3.26Å; L742-T744 PolarHBondContact O-N 3.04Å; T744-K747 PolarHBondContact O-N 3.17Å; T744-Q748 WeakPolarHBondContact O-CB 3.33Å; T744-Q748 VanDerWaalsContact O-CG 3.29Å; T744-Q748 WeakPolarHBondContact O-CG 3.35Å; T744-Q748 PolarHBondContact O-N 3.07Å
745E96.2Very high92.2Very high101 Ų10174.7 Ų74.747%0.47234%0.344SS..Hα-helixtrans-56.8-51.7175.6-174.6-155.7126.300111.2D741 L742 K747 Q748 E749D741-E745 PolarHBondContact O-N 3.39Å; L742-E745 PolarHBondContact O-N 3.4Å; E745-K747 VanDerWaalsContact C-N 3.32Å; E745-K747 PolarHBondContact O-N 2.88Å; E745-Q748 PolarHBondContact O-N 2.98Å; E745-E749 PolarHBondContact O-N 2.87Å
746K96.5Very high91.8Very high52 Ų5277.2 Ų77.223%0.22636%0.358CS..Hα-helixtrans-67-33.6-177.8-66.4-64.7165.3-131.40113.1N730 V731 L742 E749 L750N730-K746 HydrophobicContact CB-CB 4.23Å; N730-K746 HydrophobicContact CB-CD 4.13Å; N730-K746 HydrophobicContact CB-CG 4.14Å; V731-K746 HydrophobicContact CG2-CB 4.01Å; L742-K746 HydrophobicContact CD1-CG 4.28Å; L742-K746 WeakPolarHBondContact O-CG 3.46Å; L742-K746 PolarHBondContact O-N 3.12Å; K746-E749 IonicContact NZ-OE2 3.01Å; K746-E749 PolarHBondContact NZ-OE2 2.82Å; K746-L750 PolarHBondContact O-N 2.83Å
747K94.6Very high91.1Very high25 Ų2573.5 Ų73.511%0.10935%0.348CS..Hα-helixtrans-66.2-45.5172.7177.8175.2178.9-66.70111.3T417 L420 W728 V731 A743 T744 E745 L750 E751T417-K747 HydrophobicContact CG2-CD 4.16Å; L420-K747 HydrophobicContact CD1-CD 3.83Å; W728-K747 HydrophobicContact CZ3-CG 4.27Å; V731-K747 HydrophobicContact CG1-CB 4.43Å; V731-K747 HydrophobicContact CG2-CB 4.04Å; A743-K747 WeakPolarHBondContact O-CB 3.37Å; A743-K747 PolarHBondContact O-N 3.14Å; T744-K747 PolarHBondContact O-N 3.17Å; E745-K747 VanDerWaalsContact C-N 3.32Å; E745-K747 PolarHBondContact O-N 2.88Å; K747-L750 PolarHBondContact O-N 2.96Å; K747-E751 WeakPolarHBondContact CE-OE1 3.43Å; K747-E751 IonicContact NZ-OE1 2.95Å; K747-E751 PolarHBondContact NZ-OE1 3.41Å; K747-E751 IonicContact NZ-OE2 3.02Å; K747-E751 PolarHBondContact NZ-OE2 3.28Å; K747-E751 WeakPolarHBondContact O-CG 3.21Å; K747-E751 PolarHBondContact O-N 2.83Å
748Q93.1Very high90.3Very high118 Ų11871.1 Ų71.155%0.55133%0.334SS*.Hα-helixtrans-62.7-41.2177.5-75176-4.800112.1T744 E745 L750 E751 E752T744-Q748 WeakPolarHBondContact O-CB 3.33Å; T744-Q748 VanDerWaalsContact O-CG 3.29Å; T744-Q748 WeakPolarHBondContact O-CG 3.35Å; T744-Q748 PolarHBondContact O-N 3.07Å; E745-Q748 PolarHBondContact O-N 2.98Å; Q748-L750 VanDerWaalsContact C-N 3.3Å; Q748-L750 PolarHBondContact O-N 2.98Å; Q748-E751 PolarHBondContact O-N 2.95Å; Q748-E752 WeakPolarHBondContact O-CB 3.05Å; Q748-E752 PolarHBondContact O-N 2.81Å
749E93.4Very high89.6Confident84 Ų8469.8 Ų69.839%0.39333%0.333SS..Hα-helixtrans-56.5-44.8176.6-167.6-162.3131.600111.6E745 K746 R753E745-E749 PolarHBondContact O-N 2.87Å; K746-E749 IonicContact NZ-OE2 3.01Å; K746-E749 PolarHBondContact NZ-OE2 2.82Å; E749-R753 WeakPolarHBondContact O-CB 3.19Å; E749-R753 PolarHBondContact O-N 3.47Å; E749-R753 IonicContact OE1-CZ 3.94Å; E749-R753 IonicContact OE1-NH2 3.49Å; E749-R753 PolarHBondContact OE1-NH2 2.78Å
750L91.5Very high88.8Confident10 Ų1069.6 Ų69.65%0.05233%0.33CS..Hα-helixtrans-68-47.1178.2-172.8161.8000111.8I479 L727 W728 K746 K747 Q748 R753 Q754I479-L750 HydrophobicContact CD1-CD2 4.39Å; I479-L750 HydrophobicContact CG2-CD2 3.45Å; I479-L750 VanDerWaalsContact CG2-CD2 3.45Å; L727-L750 HydrophobicContact CD1-CD1 4.25Å; L727-L750 HydrophobicContact CG-CD1 4.04Å; W728-L750 HydrophobicContact CD2-CD1 4.07Å; W728-L750 HydrophobicContact CE3-CD1 3.86Å; W728-L750 HydrophobicContact CH2-CD1 4.28Å; W728-L750 HydrophobicContact CH2-CD2 3.82Å; W728-L750 HydrophobicContact CZ2-CD1 4.48Å; W728-L750 HydrophobicContact CZ2-CD2 4.06Å; W728-L750 HydrophobicContact CZ3-CD1 3.96Å; W728-L750 HydrophobicContact CZ3-CD2 4.24Å; K746-L750 PolarHBondContact O-N 2.83Å; K747-L750 PolarHBondContact O-N 2.96Å; Q748-L750 VanDerWaalsContact C-N 3.3Å; Q748-L750 PolarHBondContact O-N 2.98Å; L750-R753 WeakPolarHBondContact O-CB 3.44Å; L750-R753 PolarHBondContact O-N 2.78Å; L750-Q754 PolarHBondContact O-N 2.57Å; L750-Q754 VanDerWaalsContact O-N 3.11Å
751E89.2Confident88Confident48 Ų4868.8 Ų68.822%0.22433%0.326CS..Hα-helixtrans-66.3-36.4-179.7-71.7178.215000112.7K747 Q748 Q754 R755K747-E751 WeakPolarHBondContact CE-OE1 3.43Å; K747-E751 IonicContact NZ-OE1 2.95Å; K747-E751 PolarHBondContact NZ-OE1 3.41Å; K747-E751 IonicContact NZ-OE2 3.02Å; K747-E751 PolarHBondContact NZ-OE2 3.28Å; K747-E751 WeakPolarHBondContact O-CG 3.21Å; K747-E751 PolarHBondContact O-N 2.83Å; Q748-E751 PolarHBondContact O-N 2.95Å; E751-Q754 PolarHBondContact O-N 2.98Å; E751-R755 WeakPolarHBondContact O-CB 3.33Å; E751-R755 PolarHBondContact O-N 3.21Å
752E89.2Confident86.9Confident74 Ų7464.2 Ų64.235%0.34631%0.308SS..Hα-helixtrans-66.8-42.1175-174.957.9-14600111.2Q748 Q754 R755 L756Q748-E752 WeakPolarHBondContact O-CB 3.05Å; Q748-E752 PolarHBondContact O-N 2.81Å; E752-Q754 VanDerWaalsContact C-N 3.28Å; E752-Q754 PolarHBondContact O-N 3.18Å; E752-R755 WeakPolarHBondContact O-CB 3.22Å; E752-R755 PolarHBondContact O-N 3.17Å; E752-R755 VanDerWaalsContact O-N 3.13Å; E752-R755 IonicContact OE2-CZ 2.71Å; E752-R755 IonicContact OE2-NH1 2.62Å; E752-R755 PolarHBondContact OE2-NH1 3.31Å; E752-L756 HydrophobicContact CG-CD1 4.25Å; E752-L756 HydrophobicContact CG-CG 4.5Å; E752-L756 WeakPolarHBondContact O-CG 3.48Å; E752-L756 PolarHBondContact O-N 3.08Å
753R88.3Confident85.9Confident99 Ų9967.3 Ų67.337%0.37432%0.324SS..Hα-helixtrans-57.8-42.5174.6-170.4-176-61126.24.6111.5P335 E749 L750 S757P335-R753 HydrophobicContact CG-CG 4.29Å; E749-R753 WeakPolarHBondContact O-CB 3.19Å; E749-R753 PolarHBondContact O-N 3.47Å; E749-R753 IonicContact OE1-CZ 3.94Å; E749-R753 IonicContact OE1-NH2 3.49Å; E749-R753 PolarHBondContact OE1-NH2 2.78Å; L750-R753 WeakPolarHBondContact O-CB 3.44Å; L750-R753 PolarHBondContact O-N 2.78Å; R753-S757 WeakPolarHBondContact O-CB 3.42Å; R753-S757 PolarHBondContact O-N 2.75Å; R753-S757 VanDerWaalsContact O-N 3.1Å
754Q85.8Confident85Confident24 Ų2472.2 Ų72.211%0.11234%0.343CS..Hα-helixtrans-63.3-46.5174.4-172.3-166.30.800111.7I479 H534 L750 E751 E752 L756 S757 E758I479-Q754 VanDerWaalsContact CB-CD 3.5Å; I479-Q754 HydrophobicContact CB-CG 4.13Å; I479-Q754 HydrophobicContact CG2-CB 4.45Å; I479-Q754 HydrophobicContact CG2-CG 4.36Å; H534-Q754 PolarHBondContact CD2-NE2 3.45Å; H534-Q754 PolarHBondContact ND1-NE2 3.02Å; L750-Q754 PolarHBondContact O-N 2.57Å; L750-Q754 VanDerWaalsContact O-N 3.11Å; E751-Q754 PolarHBondContact O-N 2.98Å; E752-Q754 VanDerWaalsContact C-N 3.28Å; E752-Q754 PolarHBondContact O-N 3.18Å; Q754-L756 VanDerWaalsContact C-N 3.33Å; Q754-L756 PolarHBondContact O-N 3.18Å; Q754-S757 WeakPolarHBondContact O-CB 3.29Å; Q754-S757 PolarHBondContact O-N 3.18Å; Q754-E758 PolarHBondContact O-N 2.76Å
755R85.2Confident84Confident135 Ų13579.1 Ų79.151%0.50937%0.369SS..Hα-helixtrans-57.8-44.6179.6-174.7179.3-62.9132.77.6112E751 E752 E758 N759E751-R755 WeakPolarHBondContact O-CB 3.33Å; E751-R755 PolarHBondContact O-N 3.21Å; E752-R755 WeakPolarHBondContact O-CB 3.22Å; E752-R755 PolarHBondContact O-N 3.17Å; E752-R755 VanDerWaalsContact O-N 3.13Å; E752-R755 IonicContact OE2-CZ 2.71Å; E752-R755 IonicContact OE2-NH1 2.62Å; E752-R755 PolarHBondContact OE2-NH1 3.31Å; R755-E758 PolarHBondContact O-N 2.84Å; R755-N759 WeakPolarHBondContact O-CB 3.02Å; R755-N759 PolarHBondContact O-N 3.48Å; R755-N759 PolarHBondContact O-ND2 3.47Å
756L85.2Confident82.8Confident68 Ų6880.2 Ų80.236%0.35637%0.372SS..Hα-helixtrans-64.5-42.3176.5-67.4171.7000111.9F334 E752 Q754 N759 Y760F334-L756 HydrophobicContact CD1-CD1 4.11Å; F334-L756 HydrophobicContact CE1-CD1 3.86Å; E752-L756 HydrophobicContact CG-CD1 4.25Å; E752-L756 HydrophobicContact CG-CG 4.5Å; E752-L756 WeakPolarHBondContact O-CG 3.48Å; E752-L756 PolarHBondContact O-N 3.08Å; Q754-L756 VanDerWaalsContact C-N 3.33Å; Q754-L756 PolarHBondContact O-N 3.18Å; L756-N759 PolarHBondContact O-N 2.96Å; L756-Y760 PolarHBondContact O-N 2.82Å
757S78.2Confident81.5Confident55 Ų5580.4 Ų80.439%0.38538%0.384SS..Hα-helixtrans-62.9-42.4176.5-172.70000112.4R753 Q754 Y760 R761R753-S757 WeakPolarHBondContact O-CB 3.42Å; R753-S757 PolarHBondContact O-N 2.75Å; R753-S757 VanDerWaalsContact O-N 3.1Å; Q754-S757 WeakPolarHBondContact O-CB 3.29Å; Q754-S757 PolarHBondContact O-N 3.18Å; S757-Y760 WeakPolarHBondContact O-CB 3.38Å; S757-Y760 PolarHBondContact O-N 2.8Å; S757-R761 PolarHBondContact O-N 2.75Å
758E77.6Confident80.7Confident51 Ų5180.5 Ų80.524%0.23838%0.384CS..Hα-helixtrans-70.2-38.2178.7-161.662.4-150.700111.7Q754 R755 Y760 R761 A762Q754-E758 PolarHBondContact O-N 2.76Å; R755-E758 PolarHBondContact O-N 2.84Å; E758-Y760 VanDerWaalsContact C-N 3.31Å; E758-Y760 PolarHBondContact O-N 3.04Å; E758-R761 PolarHBondContact O-N 2.64Å; E758-R761 IonicContact OE1-CZ 2.79Å; E758-R761 IonicContact OE1-NH1 3.2Å; E758-R761 PolarHBondContact OE1-NH1 2.91Å; E758-R761 IonicContact OE1-NH2 2.73Å; E758-R761 IonicContact OE2-CZ 3.78Å; E758-R761 IonicContact OE2-NH1 2.66Å; E758-R761 PolarHBondContact OE2-NH1 3.29Å; E758-A762 WeakPolarHBondContact O-CB 3.43Å; E758-A762 PolarHBondContact O-N 2.83Å
759N77.3Confident80.1Confident98 Ų9878.8 Ų78.852%0.52438%0.383SS..Hα-helixtrans-59-43.6172.8-74.9-18.1000111.5R755 L756 A762 L763R755-N759 WeakPolarHBondContact O-CB 3.02Å; R755-N759 PolarHBondContact O-N 3.48Å; R755-N759 PolarHBondContact O-ND2 3.47Å; L756-N759 PolarHBondContact O-N 2.96Å; N759-A762 PolarHBondContact O-N 2.95Å; N759-L763 WeakPolarHBondContact O-CB 3.42Å; N759-L763 PolarHBondContact O-N 2.66Å
760Y74.8Confident79.8Confident116 Ų11675.8 Ų75.846%0.45537%0.371SS..Hα-helixtrans-60.9-49174.3-177.3-88.2000111.1L756 S757 E758 A762 L763 Y764L756-Y760 PolarHBondContact O-N 2.82Å; S757-Y760 WeakPolarHBondContact O-CB 3.38Å; S757-Y760 PolarHBondContact O-N 2.8Å; E758-Y760 VanDerWaalsContact C-N 3.31Å; E758-Y760 PolarHBondContact O-N 3.04Å; Y760-A762 VanDerWaalsContact C-N 3.34Å; Y760-A762 PolarHBondContact O-N 3.22Å; Y760-L763 PolarHBondContact O-N 2.92Å; Y760-Y764 HydrophobicContact CD1-CD2 4Å; Y760-Y764 AromaticContact CD2-CD2 3.84Å; Y760-Y764 HydrophobicContact CD2-CD2 3.84Å; Y760-Y764 AromaticContact CD2-CE2 3.54Å; Y760-Y764 HydrophobicContact CD2-CE2 3.54Å; Y760-Y764 AromaticContact CE1-CD2 3.8Å; Y760-Y764 HydrophobicContact CE1-CD2 3.8Å; Y760-Y764 HydrophobicContact CE1-CE2 4.25Å; Y760-Y764 AromaticContact CE2-CD2 3.64Å; Y760-Y764 HydrophobicContact CE2-CD2 3.64Å; Y760-Y764 AromaticContact CE2-CE2 3.22Å; Y760-Y764 HydrophobicContact CE2-CE2 3.22Å; Y760-Y764 HydrophobicContact CG-CD2 4.01Å; Y760-Y764 HydrophobicContact CG-CE2 4.18Å; Y760-Y764 AromaticContact CZ-CD2 3.6Å; Y760-Y764 AromaticContact CZ-CE2 3.61Å; Y760-Y764 WeakPolarHBondContact O-CD2 3.4Å; Y760-Y764 PolarHBondContact O-N 3.03Å; Y760-Y764 VanDerWaalsContact O-N 3.1Å
761R74.7Confident79.5Confident33 Ų3377 Ų7713%0.12538%0.376CS..Hα-helixtrans-62.8-38.5179-77.4-175.351.3-113.2-27.5113.2S757 E758 K765 F766 A767 F768S757-R761 PolarHBondContact O-N 2.75Å; E758-R761 PolarHBondContact O-N 2.64Å; E758-R761 IonicContact OE1-CZ 2.79Å; E758-R761 IonicContact OE1-NH1 3.2Å; E758-R761 PolarHBondContact OE1-NH1 2.91Å; E758-R761 IonicContact OE1-NH2 2.73Å; E758-R761 IonicContact OE2-CZ 3.78Å; E758-R761 IonicContact OE2-NH1 2.66Å; E758-R761 PolarHBondContact OE2-NH1 3.29Å; R761-K765 CarbonylContact O-C 3.53Å; R761-K765 WeakPolarHBondContact O-CA 3.33Å; R761-K765 PolarHBondContact O-N 3.36Å; R761-F766 HydrophobicContact CB-CB 4.46Å; R761-F766 HydrophobicContact CG-CB 4.21Å; R761-F766 PolarHBondContact NE-O 2.82Å; R761-F766 PolarHBondContact NH2-O 3.19Å; R761-F766 PolarHBondContact O-N 3.07Å; R761-A767 VanDerWaalsContact NH2-C 3.32Å; R761-F768 VanDerWaalsContact CZ-CA 3.45Å; R761-F768 VanDerWaalsContact CZ-CB 3.44Å; R761-F768 VanDerWaalsContact CZ-N 3.31Å; R761-F768 VanDerWaalsContact NH1-CD2 3.3Å
762A70.3Confident79.6Confident47 Ų4776.4 Ų76.439%0.38837%0.372SS..Hα-helixtrans-64.8-44.7175.100000111.7E758 N759 Y760 Y764 K765E758-A762 WeakPolarHBondContact O-CB 3.43Å; E758-A762 PolarHBondContact O-N 2.83Å; N759-A762 PolarHBondContact O-N 2.95Å; Y760-A762 VanDerWaalsContact C-N 3.34Å; Y760-A762 PolarHBondContact O-N 3.22Å; A762-Y764 VanDerWaalsContact C-N 3.33Å; A762-Y764 PolarHBondContact O-N 3.32Å; A762-K765 PolarHBondContact O-N 3.34Å
763L73.5Confident79.6Confident128 Ų12873 Ų7367%0.6736%0.356SS*.Hα-helixtrans-59.6-42.3178.9-176.964.7000112.1N759 Y760N759-L763 WeakPolarHBondContact O-CB 3.42Å; N759-L763 PolarHBondContact O-N 2.66Å; Y760-L763 PolarHBondContact O-N 2.92Å
764Y76.4Confident79.6Confident103 Ų10371.2 Ų71.240%0.40436%0.356SS..THydrogen-bonded Turntrans-97.85.2-177.8-64.1-73.9000114.3Y760 A762 F766Y760-Y764 HydrophobicContact CD1-CD2 4Å; Y760-Y764 AromaticContact CD2-CD2 3.84Å; Y760-Y764 HydrophobicContact CD2-CD2 3.84Å; Y760-Y764 AromaticContact CD2-CE2 3.54Å; Y760-Y764 HydrophobicContact CD2-CE2 3.54Å; Y760-Y764 AromaticContact CE1-CD2 3.8Å; Y760-Y764 HydrophobicContact CE1-CD2 3.8Å; Y760-Y764 HydrophobicContact CE1-CE2 4.25Å; Y760-Y764 AromaticContact CE2-CD2 3.64Å; Y760-Y764 HydrophobicContact CE2-CD2 3.64Å; Y760-Y764 AromaticContact CE2-CE2 3.22Å; Y760-Y764 HydrophobicContact CE2-CE2 3.22Å; Y760-Y764 HydrophobicContact CG-CD2 4.01Å; Y760-Y764 HydrophobicContact CG-CE2 4.18Å; Y760-Y764 AromaticContact CZ-CD2 3.6Å; Y760-Y764 AromaticContact CZ-CE2 3.61Å; Y760-Y764 WeakPolarHBondContact O-CD2 3.4Å; Y760-Y764 PolarHBondContact O-N 3.03Å; Y760-Y764 VanDerWaalsContact O-N 3.1Å; A762-Y764 VanDerWaalsContact C-N 3.33Å; A762-Y764 PolarHBondContact O-N 3.32Å; Y764-F766 VanDerWaalsContact CB-CD2 3.48Å; Y764-F766 HydrophobicContact CG-CE2 4.27Å; Y764-F766 PolarHBondContact O-N 3.01Å
765K73.9Confident79.4Confident193 Ų19373.6 Ų73.684%0.83936%0.364SS*.THydrogen-bonded Turntrans5534.7-179.3-56.1-178.8179.6179.20114R761 A762R761-K765 CarbonylContact O-C 3.53Å; R761-K765 WeakPolarHBondContact O-CA 3.33Å; R761-K765 PolarHBondContact O-N 3.36Å; A762-K765 PolarHBondContact O-N 3.34Å
766F70.2Confident79Confident123 Ų12371.5 Ų71.554%0.53936%0.36SS..PPolyproline II helixtrans-82.7121.5173.8-73.2-61.6000111.1R761 Y764R761-F766 HydrophobicContact CB-CB 4.46Å; R761-F766 HydrophobicContact CG-CB 4.21Å; R761-F766 PolarHBondContact NE-O 2.82Å; R761-F766 PolarHBondContact NH2-O 3.19Å; R761-F766 PolarHBondContact O-N 3.07Å; Y764-F766 VanDerWaalsContact CB-CD2 3.48Å; Y764-F766 HydrophobicContact CG-CE2 4.27Å; Y764-F766 PolarHBondContact O-N 3.01Å
767A70.3Confident78.4Confident57 Ų5776 Ų7647%0.47138%0.379SS..PPolyproline II helixtrans-64.2153168.100000111.3G199 R761G199-A767 WeakPolarHBondContact O-CB 3.44Å; R761-A767 VanDerWaalsContact NH2-C 3.32Å
768F76.9Confident78Confident26 Ų2677 Ų7711%0.11438%0.38CS..PPolyproline II helixtrans-77.6126.4173.6-167.5-96.3000108.1M341 I480 R761 V770M341-F768 HydrophobicContact CE-CZ 4.34Å; I480-F768 HydrophobicContact CD1-CB 3.62Å; I480-F768 HydrophobicContact CD1-CD1 4.27Å; I480-F768 HydrophobicContact CD1-CD2 3.97Å; I480-F768 HydrophobicContact CD1-CG 3.66Å; I480-F768 HydrophobicContact CG1-CB 4.18Å; I480-F768 HydrophobicContact CG1-CD1 3.88Å; I480-F768 HydrophobicContact CG1-CD2 3.85Å; I480-F768 HydrophobicContact CG1-CE1 4.31Å; I480-F768 HydrophobicContact CG1-CE2 4.24Å; I480-F768 HydrophobicContact CG1-CG 3.66Å; I480-F768 HydrophobicContact CG1-CZ 4.49Å; I480-F768 HydrophobicContact CG2-CD2 4.14Å; I480-F768 HydrophobicContact CG2-CE2 4.17Å; R761-F768 VanDerWaalsContact CZ-CA 3.45Å; R761-F768 VanDerWaalsContact CZ-CB 3.44Å; R761-F768 VanDerWaalsContact CZ-N 3.31Å; R761-F768 VanDerWaalsContact NH1-CD2 3.3Å; F768-V770 PolarHBondContact O-N 2.95Å
769P80.9Confident77.7Confident82 Ų8276.5 Ų76.553%0.53238%0.382SS..  trans-77.494.2177.531.4-32.8000109.9M341 K771M341-P769 HydrophobicContact SD-CG 4.45Å; P769-K771 PolarHBondContact O-N 3.49Å
770V85.9Confident78Confident21 Ų2172.6 Ų72.613%0.12736%0.36CS..  trans-60.4128.8172.8-179.70000109.4E530 V532 F768 F773 W780 K783E530-V770 VanDerWaalsContact OE1-CA 3.3Å; E530-V770 WeakPolarHBondContact OE1-CA 3.39Å; E530-V770 WeakPolarHBondContact OE2-CG1 3.45Å; V532-V770 HydrophobicContact CB-CG1 4.41Å; V532-V770 HydrophobicContact CB-CG2 4.18Å; V532-V770 HydrophobicContact CG1-CG1 3.76Å; V532-V770 HydrophobicContact CG1-CG2 4.41Å; F768-V770 PolarHBondContact O-N 2.95Å; V770-F773 HydrophobicContact CG1-CB 4.08Å; V770-F773 VanDerWaalsContact CG1-O 3.23Å; V770-F773 WeakPolarHBondContact CG1-O 3.19Å; V770-W780 HydrophobicContact CG1-CH2 4.46Å; V770-W780 HydrophobicContact CG1-CZ3 4.14Å; V770-W780 HydrophobicContact CG2-CH2 4.33Å; V770-K783 PolarHBondContact O-NZ 2.95Å
771K86.4Confident78.5Confident37 Ų3770.7 Ų70.716%0.16136%0.357CS..SBendtrans-84-56.6-169-73.7-179177.3171.60113.5M341 E530 E722 P769 K783M341-K771 HydrophobicContact SD-CD 4.39Å; M341-K771 WeakPolarHBondContact SD-CE 3.44Å; M341-K771 HydrophobicContact SD-CG 4.5Å; E530-K771 VanDerWaalsContact CD-N 3.31Å; E530-K771 PolarHBondContact OE1-N 3.1Å; E530-K771 PolarHBondContact OE2-N 3.04Å; E722-K771 IonicContact OE1-NZ 3.97Å; E722-K771 PolarHBondContact OE1-NZ 3.49Å; E722-K771 IonicContact OE2-NZ 3.78Å; P769-K771 PolarHBondContact O-N 3.49Å; K771-K783 VanDerWaalsContact O-CD 3.25Å; K771-K783 WeakPolarHBondContact O-CD 3.5Å; K771-K783 VanDerWaalsContact O-CE 3.26Å; K771-K783 WeakPolarHBondContact O-CE 3.14Å; K771-K783 PolarHBondContact O-NZ 3.5Å
772Y89.9Confident79Confident35 Ų3571.2 Ų71.214%0.13736%0.361CS..SBendtrans-101-15.7-167.7-63.7-73.8000113.3T483 H485 E530 F782 K783T483-Y772 HydrophobicContact CG2-CD2 3.99Å; T483-Y772 HydrophobicContact CG2-CE2 3.65Å; H485-Y772 AromaticContact CE1-CE2 3.77Å; H485-Y772 AromaticContact CE1-CZ 3.79Å; H485-Y772 PolarHBondContact CE1-OH 3.5Å; H485-Y772 AromaticContact NE2-CE2 3.44Å; H485-Y772 WeakPolarHBondContact NE2-CE2 3.49Å; H485-Y772 AromaticContact NE2-CZ 3.43Å; E530-Y772 PolarHBondContact OE2-N 3.47Å; Y772-F782 HydrophobicContact CD1-CE2 4.46Å; Y772-F782 HydrophobicContact CD1-CZ 4.48Å; Y772-K783 WeakPolarHBondContact O-CB 3.46Å; Y772-K783 PolarHBondContact O-N 3.2Å
773F90.7Very high79.7Confident2 Ų272.5 Ų72.51%0.00936%0.357CS..EExtended strand (participates in β ladder)trans-121.3144.7-176.1-57.1-86.5000112.1E530 V540 Q542 V770 W780 I781 F782 K783E530-F773 HydrophobicContact CB-CD2 3.8Å; E530-F773 HydrophobicContact CB-CE2 3.76Å; V540-F773 HydrophobicContact CB-CD1 4.34Å; V540-F773 HydrophobicContact CB-CD2 4.08Å; V540-F773 HydrophobicContact CB-CE1 4.48Å; V540-F773 HydrophobicContact CB-CE2 4.25Å; V540-F773 HydrophobicContact CB-CG 4.13Å; V540-F773 HydrophobicContact CB-CZ 4.45Å; V540-F773 HydrophobicContact CG1-CB 4.27Å; V540-F773 HydrophobicContact CG1-CD1 3.35Å; V540-F773 HydrophobicContact CG1-CD2 3.97Å; V540-F773 HydrophobicContact CG1-CE1 3.53Å; V540-F773 HydrophobicContact CG1-CE2 4.14Å; V540-F773 HydrophobicContact CG1-CG 3.58Å; V540-F773 HydrophobicContact CG1-CZ 3.94Å; Q542-F773 HydrophobicContact CB-CE1 4.25Å; V770-F773 HydrophobicContact CG1-CB 4.08Å; V770-F773 VanDerWaalsContact CG1-O 3.23Å; V770-F773 WeakPolarHBondContact CG1-O 3.19Å; F773-W780 HydrophobicContact CB-CD2 4.35Å; F773-W780 HydrophobicContact CB-CE3 3.53Å; F773-W780 HydrophobicContact CB-CZ3 3.93Å; F773-I781 CarbonylContact C-O 3.52Å; F773-I781 WeakPolarHBondContact CA-O 3.45Å; F773-F782 HydrophobicContact CD1-CB 4.41Å; F773-F782 HydrophobicContact CD1-CD2 4.19Å; F773-F782 HydrophobicContact CE1-CB 4.31Å; F773-F782 AromaticContact CE1-CD2 3.66Å; F773-F782 HydrophobicContact CE1-CD2 3.66Å; F773-F782 HydrophobicContact CE1-CG 4.49Å; F773-F782 AromaticContact CZ-CD2 3.93Å; F773-F782 HydrophobicContact CZ-CD2 3.93Å; F773-F782 HydrophobicContact CZ-CE2 4.41Å; F773-K783 WeakPolarHBondContact O-CE 3.46Å
774T88.3Confident79.4Confident62 Ų6271.8 Ų71.838%0.3836%0.358SS..EExtended strand (participates in β ladder)trans-118.2146.2168.644.70000110I781 K783T774-I781 PolarHBondContact N-O 3.1Å; T774-I781 PolarHBondContact O-N 2.68Å; T774-I781 PolarHBondContact OG1-O 2.94Å; T774-K783 HydrophobicContact CG2-CD 3.93Å; T774-K783 HydrophobicContact CG2-CG 3.64Å
775W81.1Confident78.1Confident73 Ų7371 Ų7128%0.27736%0.36SS..EExtended strand (participates in β ladder)trans-84.1123.8171.5-173.6-98.8000110.4V195 C197 W780V195-W775 VanDerWaalsContact C-CH2 3.47Å; V195-W775 HydrophobicContact CB-CH2 3.3Å; V195-W775 HydrophobicContact CB-CZ2 4.07Å; V195-W775 HydrophobicContact CB-CZ3 4.09Å; V195-W775 HydrophobicContact CG1-CH2 3.1Å; V195-W775 HydrophobicContact CG1-CZ2 4.21Å; V195-W775 HydrophobicContact CG1-CZ3 3.35Å; V195-W775 VanDerWaalsContact O-CH2 3.29Å; V195-W775 WeakPolarHBondContact O-CH2 3.31Å; C197-W775 WeakPolarHBondContact SG-CZ2 3.45Å; W775-W780 HydrophobicContact CB-CZ3 4.38Å; W775-W780 AromaticContact CE3-CD1 3.99Å; W775-W780 AromaticContact CE3-CD2 3.73Å; W775-W780 HydrophobicContact CE3-CD2 3.73Å; W775-W780 AromaticContact CE3-CE2 3.52Å; W775-W780 HydrophobicContact CE3-CE3 4.23Å; W775-W780 HydrophobicContact CE3-CG 4.09Å; W775-W780 HydrophobicContact CE3-CH2 4.47Å; W775-W780 AromaticContact CE3-CZ2 3.95Å; W775-W780 HydrophobicContact CE3-CZ2 3.95Å; W775-W780 AromaticContact CE3-NE1 3.69Å; W775-W780 AromaticContact CZ3-CD1 3.7Å; W775-W780 HydrophobicContact CZ3-CD2 4.19Å; W775-W780 AromaticContact CZ3-CE2 3.69Å; W775-W780 HydrophobicContact CZ3-CG 4.25Å; W775-W780 HydrophobicContact CZ3-CZ2 4.26Å; W775-W780 AromaticContact CZ3-NE1 3.36Å
776H77.1Confident75.9Confident92 Ų9266.8 Ų66.843%0.42635%0.354SS..EExtended strand (participates in β ladder)trans-146.8130.9177-171.1-87.6000110.6N778 S779 I781H776-N778 VanDerWaalsContact C-N 3.31Å; H776-N778 PolarHBondContact O-N 2.94Å; H776-N778 VanDerWaalsContact O-N 3.16Å; H776-S779 PolarHBondContact N-O 2.99Å; H776-S779 CarbonylContact O-C 3.55Å; H776-S779 PolarHBondContact O-N 2.81Å; H776-S779 PolarHBondContact O-OG 2.93Å; H776-I781 HydrophobicContact CB-CD1 3.53Å; H776-I781 HydrophobicContact CB-CG1 4.06Å
777E72.2Confident73.8Confident161 Ų16166.4 Ų66.475%0.75237%0.367SS*.THydrogen-bonded Turntrans45.350.1173.7-69.5175.516800114.2S779E777-S779 PolarHBondContact O-N 3.02Å
778N69.7Low71.6Confident76 Ų7674.7 Ų74.741%0.40640%0.395SS..THydrogen-bonded Turntrans64.322.3-179.7-55.3-24.2000114.9V195 Q214 H776V195-N778 WeakPolarHBondContact CG2-O 2.98Å; Q214-N778 PolarHBondContact NE2-OD1 3.16Å; H776-N778 VanDerWaalsContact C-N 3.31Å; H776-N778 PolarHBondContact O-N 2.94Å; H776-N778 VanDerWaalsContact O-N 3.16Å
779S72Confident71.3Confident42 Ų4277.1 Ų77.129%0.29441%0.409SS..EExtended strand (participates in β ladder)trans-139.6157.6176.871.30000111.8H776 E777H776-S779 PolarHBondContact N-O 2.99Å; H776-S779 CarbonylContact O-C 3.55Å; H776-S779 PolarHBondContact O-N 2.81Å; H776-S779 PolarHBondContact O-OG 2.93Å; E777-S779 PolarHBondContact O-N 3.02Å
780W82.9Confident70.8Confident16 Ų1676.8 Ų76.86%0.06140%0.403CS..EExtended strand (participates in β ladder)trans-88.3127.4168.6-73.6103.4000110.1P198 V532 V540 S555 V770 F773 W775P198-W780 HydrophobicContact CB-CH2 4.3Å; P198-W780 HydrophobicContact CB-CZ2 4.43Å; P198-W780 HydrophobicContact CG-CH2 3.35Å; P198-W780 HydrophobicContact CG-CZ2 3.11Å; V532-W780 HydrophobicContact CB-CH2 3.82Å; V532-W780 HydrophobicContact CB-CZ2 3.84Å; V532-W780 HydrophobicContact CG1-CH2 4.01Å; V532-W780 HydrophobicContact CG1-CZ2 4.17Å; V532-W780 HydrophobicContact CG1-CZ3 4.4Å; V532-W780 HydrophobicContact CG2-CH2 4.01Å; V532-W780 HydrophobicContact CG2-CZ2 3.46Å; V532-W780 VanDerWaalsContact CG2-CZ2 3.46Å; V540-W780 HydrophobicContact CB-CG 4.38Å; V540-W780 HydrophobicContact CG1-CB 3.62Å; V540-W780 HydrophobicContact CG1-CD2 4.29Å; V540-W780 HydrophobicContact CG1-CG 3.76Å; V540-W780 HydrophobicContact CG2-CB 4.39Å; V540-W780 HydrophobicContact CG2-CD2 3.74Å; V540-W780 HydrophobicContact CG2-CG 3.64Å; V540-W780 HydrophobicContact CG2-CZ2 4.13Å; S555-W780 VanDerWaalsContact OG-CD1 3.24Å; S555-W780 PolarHBondContact OG-NE1 2.92Å; V770-W780 HydrophobicContact CG1-CH2 4.46Å; V770-W780 HydrophobicContact CG1-CZ3 4.14Å; V770-W780 HydrophobicContact CG2-CH2 4.33Å; F773-W780 HydrophobicContact CB-CD2 4.35Å; F773-W780 HydrophobicContact CB-CE3 3.53Å; F773-W780 HydrophobicContact CB-CZ3 3.93Å; W775-W780 HydrophobicContact CB-CZ3 4.38Å; W775-W780 AromaticContact CE3-CD1 3.99Å; W775-W780 AromaticContact CE3-CD2 3.73Å; W775-W780 HydrophobicContact CE3-CD2 3.73Å; W775-W780 AromaticContact CE3-CE2 3.52Å; W775-W780 HydrophobicContact CE3-CE3 4.23Å; W775-W780 HydrophobicContact CE3-CG 4.09Å; W775-W780 HydrophobicContact CE3-CH2 4.47Å; W775-W780 AromaticContact CE3-CZ2 3.95Å; W775-W780 HydrophobicContact CE3-CZ2 3.95Å; W775-W780 AromaticContact CE3-NE1 3.69Å; W775-W780 AromaticContact CZ3-CD1 3.7Å; W775-W780 HydrophobicContact CZ3-CD2 4.19Å; W775-W780 AromaticContact CZ3-CE2 3.69Å; W775-W780 HydrophobicContact CZ3-CG 4.25Å; W775-W780 HydrophobicContact CZ3-CZ2 4.26Å; W775-W780 AromaticContact CZ3-NE1 3.36Å
781I84.2Confident70Confident75 Ų7579.9 Ų79.939%0.38542%0.418SS..EExtended strand (participates in β ladder)trans-113133175.4-54.4-172.5000107.7F773 T774 H776 K783F773-I781 CarbonylContact C-O 3.52Å; F773-I781 WeakPolarHBondContact CA-O 3.45Å; T774-I781 PolarHBondContact N-O 3.1Å; T774-I781 PolarHBondContact O-N 2.68Å; T774-I781 PolarHBondContact OG1-O 2.94Å; H776-I781 HydrophobicContact CB-CD1 3.53Å; H776-I781 HydrophobicContact CB-CG1 4.06Å; I781-K783 PolarHBondContact O-N 3.05Å
782F86.7Confident69Low45 Ų4582.5 Ų82.520%0.19743%0.433CS..EExtended strand (participates in β ladder)trans-66.4127.7170.8-171-97.7000109.1C528 Q542 Y772 F773 T784C528-F782 HydrophobicContact CB-CE2 3.83Å; C528-F782 HydrophobicContact CB-CZ 4.42Å; Q542-F782 HydrophobicContact CB-CD2 4.33Å; Y772-F782 HydrophobicContact CD1-CE2 4.46Å; Y772-F782 HydrophobicContact CD1-CZ 4.48Å; F773-F782 HydrophobicContact CD1-CB 4.41Å; F773-F782 HydrophobicContact CD1-CD2 4.19Å; F773-F782 HydrophobicContact CE1-CB 4.31Å; F773-F782 AromaticContact CE1-CD2 3.66Å; F773-F782 HydrophobicContact CE1-CD2 3.66Å; F773-F782 HydrophobicContact CE1-CG 4.49Å; F773-F782 AromaticContact CZ-CD2 3.93Å; F773-F782 HydrophobicContact CZ-CD2 3.93Å; F773-F782 HydrophobicContact CZ-CE2 4.41Å; F782-T784 PolarHBondContact O-N 2.75Å
783K85.5Confident67.7Low74 Ų7485.4 Ų85.432%0.32245%0.452SS..  trans-62.6105.7177-69.7-173.8-1621660108.1V770 K771 Y772 F773 T774 I781 I785V770-K783 PolarHBondContact O-NZ 2.95Å; K771-K783 VanDerWaalsContact O-CD 3.25Å; K771-K783 WeakPolarHBondContact O-CD 3.5Å; K771-K783 VanDerWaalsContact O-CE 3.26Å; K771-K783 WeakPolarHBondContact O-CE 3.14Å; K771-K783 PolarHBondContact O-NZ 3.5Å; Y772-K783 WeakPolarHBondContact O-CB 3.46Å; Y772-K783 PolarHBondContact O-N 3.2Å; F773-K783 WeakPolarHBondContact O-CE 3.46Å; T774-K783 HydrophobicContact CG2-CD 3.93Å; T774-K783 HydrophobicContact CG2-CG 3.64Å; I781-K783 PolarHBondContact O-N 3.05Å; K783-I785 PolarHBondContact O-N 3.12Å
784T66.8Low66.1Low112 Ų11291 Ų9169%0.68748%0.481SS*.  trans-72.2103.1166.1-50.30000105.2F782 C786F782-T784 PolarHBondContact O-N 2.75Å; T784-C786 VanDerWaalsContact C-N 3.34Å; T784-C786 PolarHBondContact O-N 2.81Å
785I48.5Very low64.6Low88 Ų8893.1 Ų93.145%0.45149%0.489SS..  trans-62.8105.9168.5-56176.6000104.2I348 K783 S787I348-I785 HydrophobicContact CD1-CD1 4.05Å; K783-I785 PolarHBondContact O-N 3.12Å; I785-S787 PolarHBondContact O-N 3.06Å
786C28.1Very low63.3Low104 Ų10494.6 Ų94.670%0.70351%0.505SS*.  trans-54.3114.4167.6-800000106.2T784 Q788T784-C786 VanDerWaalsContact C-N 3.34Å; T784-C786 PolarHBondContact O-N 2.81Å; C786-Q788 PolarHBondContact O-N 3.06Å
787S25.6Very low62.1Low115 Ų11594.8 Ų94.880%0.80451%0.511SS*.  trans-55104.616450.70000107.6I785I785-S787 PolarHBondContact O-N 3.06Å
788Q23.5Very low61.2Low230 Ų23088.8 Ų88.8100%1.07549%0.49SS*.  trans-103.60158.1-86.9-168.9-13.200108.5C786C786-Q788 PolarHBondContact O-N 3.06Å

Retrieved 788 of 788 residues in 810.6 ms (Link to these results)

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