A0A3Q0KL32_SCHMA Loading...

Neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KL32, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 450 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
1M52.1Low74.8Confident243 Ų243114.9 Ų114.9100%1.19760%0.6SS**  0106.20-114.7168.875.600106.7D3M1-D3 PolarHBondContact O-N 2.9Å
2M57.8Low75.3Confident132 Ų132114.6 Ų114.665%0.6559%0.593SS**  trans-68.3129168.6-90173.771.400107.8I10M2-I10 HydrophobicContact CE-CD1 3.63Å
3D75.7Confident76Confident126 Ų126117.4 Ų117.467%0.67459%0.593SS**  trans-60.5150.9-179.5-160.8-4.3000110.9M1 M5 G6 I7M1-D3 PolarHBondContact O-N 2.9Å; D3-M5 PolarHBondContact O-N 3.38Å; D3-M5 VanDerWaalsContact O-N 3.07Å; D3-G6 WeakPolarHBondContact O-CA 3.45Å; D3-G6 PolarHBondContact O-N 3.37Å; D3-I7 PolarHBondContact O-N 2.85Å
4L77.7Confident76.6Confident139 Ų139114.8 Ų114.873%0.72858%0.58SS**Hα-helixtrans-53.6-34.1-174.4-174.170000112G6 I7 L8L4-G6 VanDerWaalsContact C-N 3.32Å; L4-G6 PolarHBondContact O-N 3.45Å; L4-I7 PolarHBondContact O-N 2.96Å; L4-L8 PolarHBondContact O-N 2.75Å; L4-L8 VanDerWaalsContact O-N 3.13Å
5M76Confident77Confident127 Ų127112.5 Ų112.563%0.62658%0.575SS**Hα-helixtrans-63-32.7174.2-87.7-178.165.100113.8D3 K9D3-M5 PolarHBondContact O-N 3.38Å; D3-M5 VanDerWaalsContact O-N 3.07Å; M5-K9 WeakPolarHBondContact O-CG 3.36Å; M5-K9 PolarHBondContact O-N 2.67Å; M5-K9 VanDerWaalsContact O-N 3.17Å
6G77.2Confident77.3Confident22 Ų22110.5 Ų110.523%0.22757%0.569CS.*Hα-helixtrans-70.1-40.5178.200000112.2D3 L4 K9 I10D3-G6 WeakPolarHBondContact O-CA 3.45Å; D3-G6 PolarHBondContact O-N 3.37Å; L4-G6 VanDerWaalsContact C-N 3.32Å; L4-G6 PolarHBondContact O-N 3.45Å; G6-K9 PolarHBondContact O-N 3.48Å; G6-I10 WeakPolarHBondContact O-CG1 3.49Å; G6-I10 PolarHBondContact O-N 2.73Å
7I79.1Confident77.3Confident100 Ų100109.4 Ų109.451%0.51356%0.561SS.*Hα-helixtrans-65.8-41.7175.7-58.7173.7000110.1D3 L4 K9 I10 A11D3-I7 PolarHBondContact O-N 2.85Å; L4-I7 PolarHBondContact O-N 2.96Å; I7-K9 PolarHBondContact O-N 3.01Å; I7-I10 PolarHBondContact O-N 3.39Å; I7-A11 WeakPolarHBondContact O-CB 3.4Å; I7-A11 PolarHBondContact O-N 3.35Å
8L80.5Confident77.5Confident104 Ų104108.8 Ų108.855%0.54556%0.558SS.*Hα-helixtrans-62.5-40.9178.9-155.484000112.2L4 A11 Q12L4-L8 PolarHBondContact O-N 2.75Å; L4-L8 VanDerWaalsContact O-N 3.13Å; L8-A11 PolarHBondContact O-N 3.28Å; L8-Q12 WeakPolarHBondContact O-CB 3.48Å; L8-Q12 VanDerWaalsContact O-CG 3.31Å; L8-Q12 WeakPolarHBondContact O-CG 3.31Å; L8-Q12 PolarHBondContact O-N 3.08Å
9K81.8Confident77.3Confident136 Ų136109.4 Ų109.459%0.59156%0.561SS**Hα-helixtrans-65.7-40.5177.4-77.8-178.5177.4-177.70112.6M5 G6 I7 Q12 Y13M5-K9 WeakPolarHBondContact O-CG 3.36Å; M5-K9 PolarHBondContact O-N 2.67Å; M5-K9 VanDerWaalsContact O-N 3.17Å; G6-K9 PolarHBondContact O-N 3.48Å; I7-K9 PolarHBondContact O-N 3.01Å; K9-Q12 PolarHBondContact O-N 3.37Å; K9-Y13 WeakPolarHBondContact O-CB 3.5Å; K9-Y13 PolarHBondContact O-N 2.95Å
10I82.1Confident77Confident86 Ų86109.5 Ų109.544%0.44156%0.563SS.*Hα-helixtrans-68.1-43.6177.1-66.7167.5000110.3M2 G6 I7 Q12 Y13 I14M2-I10 HydrophobicContact CE-CD1 3.63Å; G6-I10 WeakPolarHBondContact O-CG1 3.49Å; G6-I10 PolarHBondContact O-N 2.73Å; I7-I10 PolarHBondContact O-N 3.39Å; I10-Q12 VanDerWaalsContact C-N 3.32Å; I10-Q12 PolarHBondContact O-N 2.88Å; I10-Y13 PolarHBondContact O-N 3.22Å; I10-I14 HydrophobicContact CG2-CD1 3.66Å; I10-I14 HydrophobicContact CG2-CG1 4.28Å; I10-I14 VanDerWaalsContact O-CG1 3.29Å; I10-I14 WeakPolarHBondContact O-CG1 3.43Å; I10-I14 PolarHBondContact O-N 2.8Å
11A83.4Confident76.6Confident49 Ų49109.3 Ų109.341%0.40556%0.562SS.*Hα-helixtrans-59.4-44.3175.300000111.3I7 L8 I14 T15I7-A11 WeakPolarHBondContact O-CB 3.4Å; I7-A11 PolarHBondContact O-N 3.35Å; L8-A11 PolarHBondContact O-N 3.28Å; A11-I14 PolarHBondContact O-N 2.92Å; A11-T15 VanDerWaalsContact O-CG2 3.29Å; A11-T15 WeakPolarHBondContact O-CG2 3.47Å; A11-T15 PolarHBondContact O-N 3.19Å; A11-T15 PolarHBondContact O-OG1 2.95Å
12Q80.7Confident77.2Confident111 Ų111106 Ų10652%0.51954%0.537SS..Hα-helixtrans-59.8-46.8174-78.1177.1-23.100111.9L8 K9 I10 I14 T15 V16L8-Q12 WeakPolarHBondContact O-CB 3.48Å; L8-Q12 VanDerWaalsContact O-CG 3.31Å; L8-Q12 WeakPolarHBondContact O-CG 3.31Å; L8-Q12 PolarHBondContact O-N 3.08Å; K9-Q12 PolarHBondContact O-N 3.37Å; I10-Q12 VanDerWaalsContact C-N 3.32Å; I10-Q12 PolarHBondContact O-N 2.88Å; Q12-I14 PolarHBondContact O-N 3.29Å; Q12-T15 WeakPolarHBondContact CA-OG1 3.34Å; Q12-T15 PolarHBondContact O-N 2.87Å; Q12-T15 PolarHBondContact O-OG1 3.41Å; Q12-V16 VanDerWaalsContact O-CG2 3.28Å; Q12-V16 WeakPolarHBondContact O-CG2 3.44Å; Q12-V16 PolarHBondContact O-N 3.16Å
13Y84.3Confident77.4Confident151 Ų151104.4 Ų104.459%0.59254%0.535SS*.Hα-helixtrans-59.7-46.9178.1-172.1-97.9000112.1K9 I10 T15 V16 E17K9-Y13 WeakPolarHBondContact O-CB 3.5Å; K9-Y13 PolarHBondContact O-N 2.95Å; I10-Y13 PolarHBondContact O-N 3.22Å; Y13-T15 PolarHBondContact O-N 3.4Å; Y13-V16 PolarHBondContact O-N 3.48Å; Y13-E17 HydrophobicContact CD1-CG 4.39Å; Y13-E17 HydrophobicContact CE1-CG 3.98Å; Y13-E17 WeakPolarHBondContact CE1-OE1 3.25Å; Y13-E17 PolarHBondContact O-N 2.97Å; Y13-E17 PolarHBondContact OH-OE1 3.32Å
14I84.7Confident76.5Confident81 Ų81102.6 Ų102.642%0.41553%0.532SS..Hα-helixtrans-62.5-43.4177.1-66.1168.1000110.8I10 A11 Q12 V16 E17 I18I10-I14 HydrophobicContact CG2-CD1 3.66Å; I10-I14 HydrophobicContact CG2-CG1 4.28Å; I10-I14 VanDerWaalsContact O-CG1 3.29Å; I10-I14 WeakPolarHBondContact O-CG1 3.43Å; I10-I14 PolarHBondContact O-N 2.8Å; A11-I14 PolarHBondContact O-N 2.92Å; Q12-I14 PolarHBondContact O-N 3.29Å; I14-V16 VanDerWaalsContact C-N 3.3Å; I14-V16 PolarHBondContact O-N 3.09Å; I14-E17 PolarHBondContact O-N 3.41Å; I14-I18 HydrophobicContact CG2-CD1 3.58Å; I14-I18 HydrophobicContact CG2-CG1 4.22Å; I14-I18 WeakPolarHBondContact O-CB 3.37Å; I14-I18 WeakPolarHBondContact O-CG1 3.41Å; I14-I18 PolarHBondContact O-N 2.77Å
15T82.1Confident75.5Confident81 Ų81102.2 Ų102.250%0.49753%0.53SS..Hα-helixtrans-63.7-37177.555.60000112.3A11 Q12 Y13 L19A11-T15 VanDerWaalsContact O-CG2 3.29Å; A11-T15 WeakPolarHBondContact O-CG2 3.47Å; A11-T15 PolarHBondContact O-N 3.19Å; A11-T15 PolarHBondContact O-OG1 2.95Å; Q12-T15 WeakPolarHBondContact CA-OG1 3.34Å; Q12-T15 PolarHBondContact O-N 2.87Å; Q12-T15 PolarHBondContact O-OG1 3.41Å; Y13-T15 PolarHBondContact O-N 3.4Å; T15-L19 WeakPolarHBondContact O-CB 3.36Å; T15-L19 PolarHBondContact O-N 3.22Å
16V81.5Confident74.4Confident80 Ų80100.5 Ų100.549%0.48553%0.527SS..Hα-helixtrans-69.3-43.6177171.40000110.7Q12 Y13 I14 L19 L20Q12-V16 VanDerWaalsContact O-CG2 3.28Å; Q12-V16 WeakPolarHBondContact O-CG2 3.44Å; Q12-V16 PolarHBondContact O-N 3.16Å; Y13-V16 PolarHBondContact O-N 3.48Å; I14-V16 VanDerWaalsContact C-N 3.3Å; I14-V16 PolarHBondContact O-N 3.09Å; V16-L19 PolarHBondContact O-N 3.07Å; V16-L20 HydrophobicContact CG1-CD1 3.8Å; V16-L20 HydrophobicContact CG1-CG 4.36Å; V16-L20 WeakPolarHBondContact O-CB 3.36Å; V16-L20 VanDerWaalsContact O-CG 3.26Å; V16-L20 WeakPolarHBondContact O-CG 3.47Å; V16-L20 PolarHBondContact O-N 3.48Å
17E78.2Confident73.3Confident92 Ų92106.4 Ų106.443%0.4355%0.549SS..Hα-helixtrans-62.5-43.7174.3-81.1-161.3153.700112.2Y13 I14 L19 L20 L21Y13-E17 HydrophobicContact CD1-CG 4.39Å; Y13-E17 HydrophobicContact CE1-CG 3.98Å; Y13-E17 WeakPolarHBondContact CE1-OE1 3.25Å; Y13-E17 PolarHBondContact O-N 2.97Å; Y13-E17 PolarHBondContact OH-OE1 3.32Å; I14-E17 PolarHBondContact O-N 3.41Å; E17-L19 VanDerWaalsContact C-N 3.33Å; E17-L19 PolarHBondContact O-N 2.93Å; E17-L20 PolarHBondContact O-N 2.99Å; E17-L21 WeakPolarHBondContact O-CB 3.43Å; E17-L21 PolarHBondContact O-N 3.11Å
18I79.5Confident72.3Confident98 Ų98107.1 Ų107.150%0.50356%0.558SS.*Hα-helixtrans-61.2-43.4175.4-69.3169.1000110.3I14 L21 Y22I14-I18 HydrophobicContact CG2-CD1 3.58Å; I14-I18 HydrophobicContact CG2-CG1 4.22Å; I14-I18 WeakPolarHBondContact O-CB 3.37Å; I14-I18 WeakPolarHBondContact O-CG1 3.41Å; I14-I18 PolarHBondContact O-N 2.77Å; I18-L21 PolarHBondContact O-N 2.99Å; I18-Y22 WeakPolarHBondContact O-CB 3.49Å; I18-Y22 PolarHBondContact O-N 3.43Å
19L74.7Confident71.2Confident120 Ų120110.2 Ų110.263%0.62857%0.566SS**Hα-helixtrans-64.9-41.8178.1-144.693.6000111.3T15 V16 E17 Y22 V23T15-L19 WeakPolarHBondContact O-CB 3.36Å; T15-L19 PolarHBondContact O-N 3.22Å; V16-L19 PolarHBondContact O-N 3.07Å; E17-L19 VanDerWaalsContact C-N 3.33Å; E17-L19 PolarHBondContact O-N 2.93Å; L19-Y22 PolarHBondContact O-N 3.35Å; L19-V23 WeakPolarHBondContact O-CB 3.25Å; L19-V23 WeakPolarHBondContact O-CG2 3.36Å; L19-V23 PolarHBondContact O-N 3.41Å
20L70.8Confident70.5Confident112 Ų112107.1 Ų107.159%0.58655%0.554SS**Hα-helixtrans-65.5-40.1177.1-74.6167.5000111.6V16 E17 S24V16-L20 HydrophobicContact CG1-CD1 3.8Å; V16-L20 HydrophobicContact CG1-CG 4.36Å; V16-L20 WeakPolarHBondContact O-CB 3.36Å; V16-L20 VanDerWaalsContact O-CG 3.26Å; V16-L20 WeakPolarHBondContact O-CG 3.47Å; V16-L20 PolarHBondContact O-N 3.48Å; E17-L20 PolarHBondContact O-N 2.99Å; L20-S24 WeakPolarHBondContact O-CB 3.31Å; L20-S24 PolarHBondContact O-N 3.02Å; L20-S24 PolarHBondContact O-OG 3.21Å
21L69.8Low70.2Confident106 Ų106107.9 Ų107.956%0.55556%0.559SS**Hα-helixtrans-62.1-42171.1-107.3140.9000111.6E17 I18 S24 L25E17-L21 WeakPolarHBondContact O-CB 3.43Å; E17-L21 PolarHBondContact O-N 3.11Å; I18-L21 PolarHBondContact O-N 2.99Å; L21-S24 WeakPolarHBondContact CA-OG 3.13Å; L21-S24 PolarHBondContact O-N 3.03Å; L21-S24 PolarHBondContact O-OG 3.27Å; L21-L25 HydrophobicContact CD2-CD1 4.16Å; L21-L25 VanDerWaalsContact O-CD1 3.3Å; L21-L25 WeakPolarHBondContact O-CD1 3.34Å; L21-L25 PolarHBondContact O-N 3.44Å; L21-L25 VanDerWaalsContact O-N 3.16Å
22Y64.6Low70.1Confident173 Ų173109 Ų10968%0.67856%0.561SS**Hα-helixtrans-66.6-42.5178.4-128.3-92.8000112.2I18 L19 L25 T26I18-Y22 WeakPolarHBondContact O-CB 3.49Å; I18-Y22 PolarHBondContact O-N 3.43Å; L19-Y22 PolarHBondContact O-N 3.35Å; Y22-L25 PolarHBondContact O-N 3.46Å; Y22-T26 PolarHBondContact O-N 3.16Å
23V61Low70.2Confident98 Ų98109.5 Ų109.559%0.59456%0.559SS**Hα-helixtrans-68-35.5178.9172.30000111.4L19 L25 T26L19-V23 WeakPolarHBondContact O-CB 3.25Å; L19-V23 WeakPolarHBondContact O-CG2 3.36Å; L19-V23 PolarHBondContact O-N 3.41Å; V23-L25 VanDerWaalsContact C-N 3.32Å; V23-T26 PolarHBondContact O-OG1 2.95Å
24S57.4Low70.3Confident88 Ų88109.3 Ų109.362%0.61556%0.563SS**Hα-helixtrans-74.6-19.8175.841.70000113.5L20 L21L20-S24 WeakPolarHBondContact O-CB 3.31Å; L20-S24 PolarHBondContact O-N 3.02Å; L20-S24 PolarHBondContact O-OG 3.21Å; L21-S24 WeakPolarHBondContact CA-OG 3.13Å; L21-S24 PolarHBondContact O-N 3.03Å; L21-S24 PolarHBondContact O-OG 3.27Å
25L55.4Low70.6Confident131 Ų131108.3 Ų108.369%0.68656%0.561SS**Hα-helixtrans-89.6-17.7177.5-103.7104.5000115.4L21 Y22 V23 E27L21-L25 HydrophobicContact CD2-CD1 4.16Å; L21-L25 VanDerWaalsContact O-CD1 3.3Å; L21-L25 WeakPolarHBondContact O-CD1 3.34Å; L21-L25 PolarHBondContact O-N 3.44Å; L21-L25 VanDerWaalsContact O-N 3.16Å; Y22-L25 PolarHBondContact O-N 3.46Å; V23-L25 VanDerWaalsContact C-N 3.32Å; L25-E27 PolarHBondContact O-N 3.44Å
26T54Low71.2Confident91 Ų91110.7 Ų110.756%0.55857%0.571SS**  trans-77.866.6171.956.80000110Y22 V23 V28Y22-T26 PolarHBondContact O-N 3.16Å; V23-T26 PolarHBondContact O-OG1 2.95Å; T26-V28 PolarHBondContact O-N 3.19Å
27E54.7Low71.7Confident146 Ų146111.4 Ų111.468%0.68257%0.57SS**  trans-60.194.5152.4-71.8-177.717700106.2L25 K29L25-E27 PolarHBondContact O-N 3.44Å; E27-K29 HydrophobicContact CB-CG 4.47Å; E27-K29 PolarHBondContact O-N 3.48Å; E27-K29 WeakPolarHBondContact OE2-CE 3.49Å
28V56.6Low72.6Confident116 Ų116112.5 Ų112.570%0.70358%0.579SS**  trans-65.289.2167.6-178.30000105.8T26 Q30T26-V28 PolarHBondContact O-N 3.19Å; V28-Q30 HydrophobicContact CG1-CG 4.15Å; V28-Q30 PolarHBondContact O-N 3.42Å
29K57.7Low73.3Confident168 Ų168109 Ų10973%0.7356%0.561SS**  trans-67.289.7172.7-71.2-174.7180-179.90107.3E27 N31E27-K29 HydrophobicContact CB-CG 4.47Å; E27-K29 PolarHBondContact O-N 3.48Å; E27-K29 WeakPolarHBondContact OE2-CE 3.49Å; K29-N31 PolarHBondContact O-N 2.93Å
30Q67.1Low74.3Confident71 Ų71107.5 Ų107.533%0.33256%0.56SS.*PPolyproline II helixtrans-68.1129.7168.9-74.9-174.2-34.300108.4V28 V32 I126V28-Q30 HydrophobicContact CG1-CG 4.15Å; V28-Q30 PolarHBondContact O-N 3.42Å; Q30-V32 PolarHBondContact O-N 2.88Å; Q30-I126 HydrophobicContact CB-CD1 4.13Å; Q30-I126 HydrophobicContact CB-CG1 4.23Å
31N76.9Confident75.5Confident102 Ų102103 Ų10355%0.54554%0.537SS..EExtended strand (participates in β ladder)trans-69.7116.3174.5-69-29.8000108.5K29 Y33 R125 I126K29-N31 PolarHBondContact O-N 2.93Å; N31-Y33 HydrophobicContact CB-CE2 3.92Å; N31-R125 HydrophobicContact CB-CG 4.34Å; N31-R125 WeakPolarHBondContact O-CA 3.4Å; N31-I126 PolarHBondContact O-N 2.97Å
32V81.3Confident76.7Confident72 Ų72102.1 Ų102.144%0.43653%0.529SS..EExtended strand (participates in β ladder)trans-94.1125176.7-172.10000109.1Q30 E34 I126 V128Q30-V32 PolarHBondContact O-N 2.88Å; V32-E34 HydrophobicContact CG1-CG 3.81Å; V32-I126 CarbonylContact C-O 3.44Å; V32-I126 VanDerWaalsContact CA-O 3.3Å; V32-I126 WeakPolarHBondContact CA-O 3.09Å; V32-I126 HydrophobicContact CG1-CG2 4.5Å; V32-I126 HydrophobicContact CG2-CB 4.29Å; V32-I126 HydrophobicContact CG2-CD1 4.35Å; V32-V128 HydrophobicContact CG1-CG2 3.92Å
33Y82Confident78.3Confident122 Ų12296.6 Ų96.648%0.47851%0.511SS..EExtended strand (participates in β ladder)trans-107.3113.5174.4-71.3-96.6000108.8N31 R125 I126 H127 V128N31-Y33 HydrophobicContact CB-CE2 3.92Å; Y33-R125 HydrophobicContact CD2-CB 4.49Å; Y33-R125 HydrophobicContact CE2-CB 4.41Å; Y33-R125 HydrophobicContact CE2-CG 4.24Å; Y33-I126 PolarHBondContact N-O 3.48Å; Y33-H127 PolarHBondContact O-ND1 2.06Å; Y33-V128 PolarHBondContact O-N 2.88Å
34E87.1Confident79.9Confident147 Ų14794.1 Ų94.169%0.68751%0.505SS*.EExtended strand (participates in β ladder)trans-106.6134.5-177.8-55.9-166.8176.300111.3V32 V128V32-E34 HydrophobicContact CG1-CG 3.81Å; E34-V128 CarbonylContact C-O 3.53Å; E34-V128 VanDerWaalsContact CA-O 3.26Å; E34-V128 WeakPolarHBondContact CA-O 3.32Å; E34-V128 HydrophobicContact CG-CB 4.28Å
35T90.9Very high81.7Confident60 Ų6092 Ų9237%0.36849%0.491SS..EExtended strand (participates in β ladder)trans-132.8155.8171.7530000109.1V128 H129 T130T35-V128 PolarHBondContact N-O 3.33Å; T35-H129 WeakPolarHBondContact O-CA 3.39Å; T35-H129 PolarHBondContact OG1-ND1 3.46Å; T35-T130 PolarHBondContact O-N 2.93Å
36N93.1Very high83.6Confident132 Ų13289.1 Ų89.171%0.70648%0.475SS*.EExtended strand (participates in β ladder)trans-135.4156.4178.562.732.4000112.9T130N36-T130 CarbonylContact C-O 3.54Å; N36-T130 WeakPolarHBondContact CA-O 3.4Å
37M93.6Very high85.5Confident94 Ų9484.8 Ų84.846%0.46345%0.448SS..EExtended strand (participates in β ladder)trans-148.7142.4174.4-175.4179.5-16900109.4I39 T130 V131 S132M37-I39 HydrophobicContact CE-CG2 3.86Å; M37-I39 HydrophobicContact CG-CG2 4.01Å; M37-I39 HydrophobicContact SD-CG2 3.91Å; M37-T130 PolarHBondContact N-O 2.93Å; M37-V131 CarbonylContact O-C 3.57Å; M37-V131 WeakPolarHBondContact O-CA 3.19Å; M37-S132 PolarHBondContact O-N 2.76Å
38N95.5Very high87.3Confident115 Ų11582 Ų8262%0.61544%0.435SS*.EExtended strand (participates in β ladder)trans-108.6129.3172.3-62.5-10.3000108.8S132N38-S132 WeakPolarHBondContact CA-O 3.16Å; N38-S132 WeakPolarHBondContact OD1-CB 3.43Å; N38-S132 PolarHBondContact OD1-OG 3.42Å
39I94.8Very high89Confident26 Ų2676.5 Ų76.513%0.13340%0.402CS..EExtended strand (participates in β ladder)trans-125.7144175.370.8169.3000110M37 V41 L49 V131 S132 L133 N134M37-I39 HydrophobicContact CE-CG2 3.86Å; M37-I39 HydrophobicContact CG-CG2 4.01Å; M37-I39 HydrophobicContact SD-CG2 3.91Å; I39-V41 HydrophobicContact CD1-CG2 4.01Å; I39-V41 HydrophobicContact CG1-CG2 4.33Å; I39-L49 HydrophobicContact CD1-CD2 3.32Å; I39-L49 HydrophobicContact CG1-CD2 4.38Å; I39-V131 HydrophobicContact CD1-CG1 3.96Å; I39-V131 HydrophobicContact CG1-CG1 3.88Å; I39-V131 HydrophobicContact CG2-CG1 4.28Å; I39-S132 PolarHBondContact N-O 2.99Å; I39-L133 HydrophobicContact CD1-CD1 3.93Å; I39-L133 HydrophobicContact CG1-CD1 3.84Å; I39-N134 PolarHBondContact O-N 3.14Å
40S95.4Very high90.5Very high87 Ų8770.7 Ų70.761%0.60838%0.382SS*.EExtended strand (participates in β ladder)trans-117.7121.9173.9-65.80000109.2N134S40-N134 WeakPolarHBondContact CA-O 3.37Å
41V96.3Very high91.4Very high17 Ų1767.3 Ų67.310%0.10337%0.366CS..EExtended strand (participates in β ladder)trans-120.6135.8-175.1-1780000109.2I39 N43 S45 A47 T108 L133 N134 I135 S136I39-V41 HydrophobicContact CD1-CG2 4.01Å; I39-V41 HydrophobicContact CG1-CG2 4.33Å; V41-N43 PolarHBondContact O-N 3.04Å; V41-S45 WeakPolarHBondContact CG1-OG 3.42Å; V41-A47 HydrophobicContact CB-CB 4.31Å; V41-A47 HydrophobicContact CG1-CB 4.05Å; V41-A47 HydrophobicContact CG2-CB 3.85Å; V41-T108 HydrophobicContact CG1-CG2 3.88Å; V41-L133 HydrophobicContact CB-CD1 4.09Å; V41-L133 HydrophobicContact CG2-CD1 3.71Å; V41-N134 PolarHBondContact N-O 2.92Å; V41-I135 HydrophobicContact CB-CD1 4.48Å; V41-I135 CarbonylContact O-C 3.58Å; V41-I135 WeakPolarHBondContact O-CA 3.46Å; V41-S136 PolarHBondContact O-N 3.08Å; V41-S136 PolarHBondContact O-OG 2.83Å
42K96.2Very high91.6Very high89 Ų8965.8 Ų65.839%0.38736%0.362SS..EExtended strand (participates in β ladder)trans-64.7133.2177.3-177.3173.5170.71720110.3G44 S45 T108 S136 P138 V232 Q233K42-G44 PolarHBondContact O-N 3.01Å; K42-S45 VanDerWaalsContact O-CB 3.31Å; K42-S45 WeakPolarHBondContact O-CB 3.34Å; K42-S45 PolarHBondContact O-N 3.45Å; K42-S45 PolarHBondContact O-OG 3.4Å; K42-T108 PolarHBondContact O-OG1 3.17Å; K42-S136 CarbonylContact C-O 3.53Å; K42-S136 WeakPolarHBondContact CA-O 3.15Å; K42-S136 WeakPolarHBondContact CA-OG 3.06Å; K42-S136 PolarHBondContact N-OG 2.05Å; K42-P138 HydrophobicContact CD-CG 4.4Å; K42-V232 HydrophobicContact CD-CG1 4.35Å; K42-V232 HydrophobicContact CG-CG1 4.25Å; K42-Q233 PolarHBondContact NZ-O 2.73Å
43N96.6Very high91.5Very high56 Ų5662.9 Ų62.930%0.29934%0.344SS..THydrogen-bonded Turntrans-52.5134.4174.7-177.133.3000110.9V41 S45 T108 P110 I135 S136 I137V41-N43 PolarHBondContact O-N 3.04Å; N43-S45 VanDerWaalsContact C-N 3.27Å; N43-S45 PolarHBondContact O-N 3.44Å; N43-T108 PolarHBondContact OD1-O 2.9Å; N43-T108 VanDerWaalsContact OD1-O 3.04Å; N43-P110 WeakPolarHBondContact OD1-CD 3.47Å; N43-I135 HydrophobicContact CB-CG2 3.85Å; N43-S136 PolarHBondContact N-O 3.42Å; N43-I137 HydrophobicContact CB-CG1 3.92Å
44G95.2Very high91Very high46 Ų4663.9 Ų63.947%0.47436%0.358SS..THydrogen-bonded Turntrans82.6-10.8-17600000115.4K42 T108K42-G44 PolarHBondContact O-N 3.01Å; G44-T108 WeakPolarHBondContact CA-O 3.33Å; G44-T108 PolarHBondContact N-O 3.45Å; G44-T108 PolarHBondContact N-OG1 2.93Å
45S95.4Very high90.5Very high45 Ų4561.1 Ų61.132%0.31535%0.347SS..SBendtrans-87.1-176178.274.80000112.2V41 K42 N43 T108V41-S45 WeakPolarHBondContact CG1-OG 3.42Å; K42-S45 VanDerWaalsContact O-CB 3.31Å; K42-S45 WeakPolarHBondContact O-CB 3.34Å; K42-S45 PolarHBondContact O-N 3.45Å; K42-S45 PolarHBondContact O-OG 3.4Å; N43-S45 VanDerWaalsContact C-N 3.27Å; N43-S45 PolarHBondContact O-N 3.44Å; S45-T108 PolarHBondContact N-OG1 2.95Å; S45-T108 PolarHBondContact O-N 3.08Å; S45-T108 PolarHBondContact O-OG1 3.23Å
46M94.6Very high89.8Confident70 Ų7063.5 Ų63.535%0.34536%0.361SS..  trans-93.7123.5175.4-179.7178.371.900109.8F89 Y104 L105 R106M46-F89 HydrophobicContact CG-CZ 4.19Å; M46-F89 HydrophobicContact SD-CE2 4.22Å; M46-F89 HydrophobicContact SD-CZ 3.69Å; M46-Y104 HydrophobicContact CE-CD1 3.94Å; M46-Y104 HydrophobicContact CE-CE1 3.99Å; M46-Y104 HydrophobicContact CG-CD1 4.07Å; M46-Y104 HydrophobicContact SD-CD1 3.55Å; M46-Y104 VanDerWaalsContact SD-CD1 3.55Å; M46-Y104 HydrophobicContact SD-CE1 4.15Å; M46-Y104 HydrophobicContact SD-CG 4.43Å; M46-L105 WeakPolarHBondContact CA-O 3.06Å; M46-R106 HydrophobicContact CB-CB 4.35Å; M46-R106 HydrophobicContact CB-CG 4.29Å; M46-R106 HydrophobicContact CG-CB 4.29Å; M46-R106 PolarHBondContact SD-NH2 2.71Å
47A95Very high89.2Confident0 Ų059.1 Ų59.10%034%0.337CS..EExtended strand (participates in β ladder)trans-84.9137.7164.500000109.7V41 L49 Y104 L105 T108 L133V41-A47 HydrophobicContact CB-CB 4.31Å; V41-A47 HydrophobicContact CG1-CB 4.05Å; V41-A47 HydrophobicContact CG2-CB 3.85Å; A47-L49 HydrophobicContact CB-CD2 4.17Å; A47-Y104 VanDerWaalsContact O-CA 3.24Å; A47-Y104 WeakPolarHBondContact O-CA 3.29Å; A47-L105 HydrophobicContact CB-CB 4.29Å; A47-L105 PolarHBondContact N-O 2.86Å; A47-L105 PolarHBondContact O-N 2.97Å; A47-T108 HydrophobicContact CB-CG2 3.55Å; A47-L133 HydrophobicContact CB-CD1 4.2Å
48E92.5Very high88.7Confident86 Ų8658.3 Ų58.340%0.40234%0.338SS..EExtended strand (participates in β ladder)trans-115.5108.7166.1-179.8178.5179.300108.1S50 S102 Y104E48-S50 PolarHBondContact O-N 3.44Å; E48-S102 WeakPolarHBondContact OE1-CB 3.26Å; E48-S102 PolarHBondContact OE1-OG 3.25Å; E48-Y104 HydrophobicContact CB-CD1 3.91Å; E48-Y104 HydrophobicContact CB-CE1 3.72Å; E48-Y104 HydrophobicContact CG-CD1 4.04Å; E48-Y104 HydrophobicContact CG-CE1 3.49Å; E48-Y104 VanDerWaalsContact CG-CE1 3.49Å; E48-Y104 PolarHBondContact OE1-OH 3.48Å
49L92.8Very high88.1Confident1 Ų162.5 Ų62.51%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-91.399.7174.1-40.3-171000107.1I39 A47 W67 S102 L103 L105 Y116 V131 L133I39-L49 HydrophobicContact CD1-CD2 3.32Å; I39-L49 HydrophobicContact CG1-CD2 4.38Å; A47-L49 HydrophobicContact CB-CD2 4.17Å; L49-W67 HydrophobicContact CB-CH2 3.57Å; L49-W67 HydrophobicContact CB-CZ2 4.17Å; L49-W67 HydrophobicContact CB-CZ3 3.91Å; L49-W67 HydrophobicContact CD1-CZ3 4.2Å; L49-W67 WeakPolarHBondContact O-CH2 3.44Å; L49-W67 WeakPolarHBondContact O-CZ2 3.5Å; L49-S102 CarbonylContact O-C 3.54Å; L49-S102 WeakPolarHBondContact O-CA 3.49Å; L49-L103 HydrophobicContact CB-CB 4.18Å; L49-L103 HydrophobicContact CD1-CB 4.49Å; L49-L103 HydrophobicContact CD1-CD2 3.87Å; L49-L103 HydrophobicContact CG-CB 4.42Å; L49-L103 PolarHBondContact N-O 2.83Å; L49-L103 PolarHBondContact O-N 2.89Å; L49-L105 HydrophobicContact CD1-CD1 3.99Å; L49-L105 HydrophobicContact CG-CD1 4.19Å; L49-Y116 HydrophobicContact CD1-CD1 3.53Å; L49-Y116 HydrophobicContact CD1-CD2 3.91Å; L49-Y116 HydrophobicContact CD1-CE1 4.17Å; L49-Y116 HydrophobicContact CD1-CG 3.38Å; L49-V131 HydrophobicContact CB-CG1 4.42Å; L49-V131 HydrophobicContact CB-CG2 4.43Å; L49-V131 HydrophobicContact CD2-CG1 4.06Å; L49-L133 HydrophobicContact CD2-CD1 4.36Å; L49-L133 HydrophobicContact CD2-CD2 4.45Å
50S87.7Confident87.6Confident46 Ų4669.3 Ų69.332%0.32237%0.374SS..  trans-74.9140.4177.9-68.80000110.8E48 H129E48-S50 PolarHBondContact O-N 3.44Å; S50-H129 PolarHBondContact O-CD2 2.91Å
51C87Confident87.2Confident0 Ų066.6 Ų66.60%035%0.351CS..  trans-115100166.5-1720000107.7I53 W67 C118C51-I53 PolarHBondContact O-N 2.87Å; C51-I53 VanDerWaalsContact O-N 3.07Å; C51-W67 HydrophobicContact CB-CH2 4.28Å; C51-W67 HydrophobicContact CB-CZ2 3.63Å; C51-C118 HydrophobicContact CB-CB 3.66Å; C51-C118 WeakPolarHBondContact CB-SG 3.46Å; C51-C118 WeakPolarHBondContact SG-CB 3.48Å; C51-C118 CovalentContact SG-SG 2.05Å; C51-C118 PolarHBondContact SG-SG 3.25Å
52P81Confident86.6Confident70 Ų7067.3 Ų67.346%0.45535%0.354SS..BIsolated β-bridgetrans-73.2102.6-173.529.1-32.9000109.8
53I78.5Confident86.1Confident12 Ų1268.1 Ų68.16%0.06236%0.359CS..  trans-120.2100.7177.5-61.7158.8000108.6C51 I55 L57 L65 K99 L120C51-I53 PolarHBondContact O-N 2.87Å; C51-I53 VanDerWaalsContact O-N 3.07Å; I53-I55 HydrophobicContact CG2-CB 4.42Å; I53-I55 PolarHBondContact O-N 3.39Å; I53-L57 HydrophobicContact CD1-CD1 4.42Å; I53-L57 HydrophobicContact CG2-CD2 4.01Å; I53-L57 HydrophobicContact CG2-CG 4.39Å; I53-L65 HydrophobicContact CD1-CD1 3.68Å; I53-K99 WeakPolarHBondContact O-CB 3.38Å; I53-K99 VanDerWaalsContact O-O 3.1Å; I53-L120 HydrophobicContact CD1-CD2 3.86Å; I53-L120 HydrophobicContact CG1-CD2 4.28Å; I53-L120 HydrophobicContact CG2-CD2 4.21Å
54D72.3Confident85.7Confident142 Ų14267.5 Ų67.576%0.75936%0.358SS*.  trans-77.514.5-176.4-66.5-30.3000114.3K99D54-K99 VanDerWaalsContact C-CD 3.48Å; D54-K99 PolarHBondContact O-NZ 2.96Å
55I75.3Confident85.5Confident89 Ų8965.3 Ų65.346%0.45634%0.335SS..SBendtrans-118145.3-175.1-55168.4000110.4I53 L57 K99 L122I53-I55 HydrophobicContact CG2-CB 4.42Å; I53-I55 PolarHBondContact O-N 3.39Å; I55-L57 PolarHBondContact O-N 2.92Å; I55-K99 VanDerWaalsContact C-CE 3.46Å; I55-L122 HydrophobicContact CD1-CD1 4.02Å
56V76.5Confident85.3Confident110 Ų11064.1 Ų64.167%0.66733%0.326SS*.  trans-76114.3171.5-178.50000107.9
57L80.5Confident85.2Confident41 Ų4160.8 Ų60.822%0.21531%0.309CS..  trans-76.6134.9179.2-58.6-178.7000110.8I53 I55 E61 L62 L65 L120 L122I53-L57 HydrophobicContact CD1-CD1 4.42Å; I53-L57 HydrophobicContact CG2-CD2 4.01Å; I53-L57 HydrophobicContact CG2-CG 4.39Å; I55-L57 PolarHBondContact O-N 2.92Å; L57-E61 HydrophobicContact CB-CB 4.3Å; L57-E61 HydrophobicContact CD2-CB 4.24Å; L57-L62 HydrophobicContact CB-CB 4.41Å; L57-L62 HydrophobicContact CD1-CD1 4.24Å; L57-L65 HydrophobicContact CD1-CD1 4.24Å; L57-L120 HydrophobicContact CD1-CD1 4.13Å; L57-L120 HydrophobicContact CD1-CD2 4.32Å; L57-L120 HydrophobicContact CD2-CD1 4.31Å; L57-L120 HydrophobicContact CD2-CD2 3.73Å; L57-L122 HydrophobicContact CD2-CD2 3.71Å
58T83.2Confident85.2Confident76 Ų7663 Ų6347%0.46632%0.321SS..  trans-67.5160.6163.462.50000110.2K60 E61 L62T58-K60 PolarHBondContact O-N 3.16Å; T58-E61 WeakPolarHBondContact CB-OE2 3.25Å; T58-E61 WeakPolarHBondContact CG2-OE2 3.47Å; T58-E61 PolarHBondContact N-OE2 3.01Å; T58-E61 PolarHBondContact O-N 3.41Å; T58-E61 VanDerWaalsContact O-N 3.13Å; T58-E61 WeakPolarHBondContact OG1-CB 3.49Å; T58-E61 VanDerWaalsContact OG1-CG 3.25Å; T58-E61 WeakPolarHBondContact OG1-CG 3.5Å; T58-E61 PolarHBondContact OG1-N 3.48Å; T58-E61 PolarHBondContact OG1-OE2 3.42Å; T58-L62 WeakPolarHBondContact O-CB 3.34Å; T58-L62 PolarHBondContact O-N 2.89Å
59R82.3Confident85.4Confident203 Ų20361.8 Ų61.877%0.76631%0.313SS*.Hα-helixtrans-53.5-40.6175.2-175.4178.2177.9167.44.5112.3L62 E63R59-L62 PolarHBondContact O-N 3.03Å; R59-E63 IonicContact NE-OE1 3.17Å; R59-E63 WeakPolarHBondContact O-CG 3.5Å; R59-E63 PolarHBondContact O-N 3.37Å; R59-E63 VanDerWaalsContact O-N 3.11Å
60K85.7Confident85.3Confident170 Ų17063.2 Ų63.274%0.73933%0.325SS*.Hα-helixtrans-66.7-43.1178.7-171178.7179.4-177.20111.9T58 E63 T64T58-K60 PolarHBondContact O-N 3.16Å; K60-E63 PolarHBondContact O-N 3.02Å; K60-T64 WeakPolarHBondContact O-CG2 3.37Å
61E86.3Confident85.2Confident29 Ų2967 Ų6714%0.13635%0.348CS..Hα-helixtrans-66.6-40.7176.2-70.6160.7152.800111.1L57 T58 E63 T64 L65 L120 L122L57-E61 HydrophobicContact CB-CB 4.3Å; L57-E61 HydrophobicContact CD2-CB 4.24Å; T58-E61 WeakPolarHBondContact CB-OE2 3.25Å; T58-E61 WeakPolarHBondContact CG2-OE2 3.47Å; T58-E61 PolarHBondContact N-OE2 3.01Å; T58-E61 PolarHBondContact O-N 3.41Å; T58-E61 VanDerWaalsContact O-N 3.13Å; T58-E61 WeakPolarHBondContact OG1-CB 3.49Å; T58-E61 VanDerWaalsContact OG1-CG 3.25Å; T58-E61 WeakPolarHBondContact OG1-CG 3.5Å; T58-E61 PolarHBondContact OG1-N 3.48Å; T58-E61 PolarHBondContact OG1-OE2 3.42Å; E61-E63 VanDerWaalsContact C-N 3.3Å; E61-E63 PolarHBondContact O-N 3.01Å; E61-T64 WeakPolarHBondContact O-CB 3.09Å; E61-T64 PolarHBondContact O-N 3.32Å; E61-T64 PolarHBondContact O-OG1 3.03Å; E61-L65 PolarHBondContact O-N 3.32Å; E61-L120 VanDerWaalsContact O-CD1 3.24Å; E61-L120 WeakPolarHBondContact O-CD1 3.23Å; E61-L122 HydrophobicContact CB-CD2 4.44Å; E61-L122 HydrophobicContact CG-CD2 4.21Å
62L83.4Confident85.2Confident33 Ų3378.1 Ų78.117%0.17339%0.39CS..Hα-helixtrans-59.2-39.2176.7-178.664.2000112.2L57 T58 R59 T64 L65 G78 V79 M93 L101L57-L62 HydrophobicContact CB-CB 4.41Å; L57-L62 HydrophobicContact CD1-CD1 4.24Å; T58-L62 WeakPolarHBondContact O-CB 3.34Å; T58-L62 PolarHBondContact O-N 2.89Å; R59-L62 PolarHBondContact O-N 3.03Å; L62-T64 PolarHBondContact O-N 3.42Å; L62-L65 WeakPolarHBondContact O-CB 3.32Å; L62-L65 PolarHBondContact O-N 3.09Å; L62-L65 VanDerWaalsContact O-N 3.16Å; L62-G78 VanDerWaalsContact O-CA 3.28Å; L62-G78 WeakPolarHBondContact O-CA 3.44Å; L62-V79 HydrophobicContact CD2-CG1 3.95Å; L62-V79 HydrophobicContact CG-CG1 4.34Å; L62-M93 HydrophobicContact CD2-CE 3.68Å; L62-M93 HydrophobicContact CD2-SD 4.4Å; L62-L101 HydrophobicContact CD1-CD1 4.09Å; L62-L101 HydrophobicContact CD1-CD2 4.28Å
63E86Confident85.8Confident105 Ų10578.6 Ų78.649%0.49139%0.386SS..Hα-helixtrans-64.7-20.9175.4-73.9171.3-167.300113.4R59 K60 E61R59-E63 IonicContact NE-OE1 3.17Å; R59-E63 WeakPolarHBondContact O-CG 3.5Å; R59-E63 PolarHBondContact O-N 3.37Å; R59-E63 VanDerWaalsContact O-N 3.11Å; K60-E63 PolarHBondContact O-N 3.02Å; E61-E63 VanDerWaalsContact C-N 3.3Å; E61-E63 PolarHBondContact O-N 3.01Å
64T89Confident86.6Confident44 Ų4481.3 Ų81.327%0.2740%0.401SS..Hα-helixtrans-85.9-13.3175.372.60000113.9K60 E61 L62 T66 I121K60-T64 WeakPolarHBondContact O-CG2 3.37Å; E61-T64 WeakPolarHBondContact O-CB 3.09Å; E61-T64 PolarHBondContact O-N 3.32Å; E61-T64 PolarHBondContact O-OG1 3.03Å; L62-T64 PolarHBondContact O-N 3.42Å; T64-T66 PolarHBondContact O-N 3.31Å; T64-I121 HydrophobicContact CG2-CB 4.26Å; T64-I121 PolarHBondContact OG1-N 3.09Å; T64-I121 VanDerWaalsContact OG1-N 3.17Å; T64-I121 PolarHBondContact OG1-O 3.01Å
65L89.5Confident87.7Confident0 Ų074.7 Ų74.70%037%0.365CS..  trans-67.5126.8178.5-169.7154.9000109.8I53 L57 E61 L62 G78 L101 T119 L120I53-L65 HydrophobicContact CD1-CD1 3.68Å; L57-L65 HydrophobicContact CD1-CD1 4.24Å; E61-L65 PolarHBondContact O-N 3.32Å; L62-L65 WeakPolarHBondContact O-CB 3.32Å; L62-L65 PolarHBondContact O-N 3.09Å; L62-L65 VanDerWaalsContact O-N 3.16Å; L65-G78 PolarHBondContact O-N 3.28Å; L65-L101 HydrophobicContact CD1-CB 3.73Å; L65-L101 HydrophobicContact CD1-CD2 3.9Å; L65-L101 HydrophobicContact CD1-CG 4.41Å; L65-L101 HydrophobicContact CD2-CB 4.34Å; L65-L101 HydrophobicContact CD2-CD2 3.46Å; L65-L101 VanDerWaalsContact CD2-CD2 3.46Å; L65-L101 HydrophobicContact CD2-CG 4.49Å; L65-L101 HydrophobicContact CG-CD2 4.19Å; L65-T119 CarbonylContact C-O 3.58Å; L65-T119 VanDerWaalsContact CA-O 3.3Å; L65-T119 WeakPolarHBondContact CA-O 3.42Å; L65-L120 HydrophobicContact CB-CD1 3.94Å
66T91.6Very high88.5Confident19 Ų1970.5 Ų70.512%0.11734%0.344CS..EExtended strand (participates in β ladder)trans-134.5142.9176.662.30000111.6T64 L74 T76 K77 C118 T119T64-T66 PolarHBondContact O-N 3.31Å; T66-L74 HydrophobicContact CG2-CD1 4.21Å; T66-T76 WeakPolarHBondContact CA-O 3.32Å; T66-T76 WeakPolarHBondContact CB-O 3.18Å; T66-K77 HydrophobicContact CG2-CB 4.23Å; T66-K77 HydrophobicContact CG2-CG 4.04Å; T66-C118 CarbonylContact O-C 3.51Å; T66-C118 WeakPolarHBondContact O-CA 3.35Å; T66-T119 PolarHBondContact N-O 3.5Å; T66-T119 PolarHBondContact O-N 3.19Å; T66-T119 PolarHBondContact OG1-OG1 3.31Å
67W94Very high89.2Confident0 Ų071 Ų710%034%0.337CS..EExtended strand (participates in β ladder)trans-103.7127.8164.9-79.496.1000109.8L49 C51 L75 T76 L101 L103 K117 C118 V131L49-W67 HydrophobicContact CB-CH2 3.57Å; L49-W67 HydrophobicContact CB-CZ2 4.17Å; L49-W67 HydrophobicContact CB-CZ3 3.91Å; L49-W67 HydrophobicContact CD1-CZ3 4.2Å; L49-W67 WeakPolarHBondContact O-CH2 3.44Å; L49-W67 WeakPolarHBondContact O-CZ2 3.5Å; C51-W67 HydrophobicContact CB-CH2 4.28Å; C51-W67 HydrophobicContact CB-CZ2 3.63Å; W67-L75 HydrophobicContact CB-CB 4.29Å; W67-L75 WeakPolarHBondContact O-CA 3.46Å; W67-L75 WeakPolarHBondContact O-CB 3.41Å; W67-L75 PolarHBondContact O-N 3.3Å; W67-T76 WeakPolarHBondContact CB-OG1 3.35Å; W67-T76 PolarHBondContact N-O 3.15Å; W67-T76 PolarHBondContact N-OG1 3.29Å; W67-T76 PolarHBondContact O-N 3.32Å; W67-L101 PolarHBondContact NE1-O 2.67Å; W67-L103 HydrophobicContact CB-CD1 4.11Å; W67-L103 HydrophobicContact CB-CD2 4.24Å; W67-L103 HydrophobicContact CD2-CB 3.76Å; W67-L103 HydrophobicContact CD2-CD2 4.25Å; W67-L103 HydrophobicContact CD2-CG 4.45Å; W67-L103 HydrophobicContact CE3-CB 4.31Å; W67-L103 HydrophobicContact CE3-CD2 4.3Å; W67-L103 HydrophobicContact CG-CB 3.95Å; W67-L103 HydrophobicContact CG-CD1 4.06Å; W67-L103 HydrophobicContact CG-CD2 4.26Å; W67-L103 HydrophobicContact CG-CG 4.32Å; W67-L103 HydrophobicContact CZ2-CB 4.09Å; W67-K117 WeakPolarHBondContact CA-O 3.45Å; W67-C118 HydrophobicContact CD2-CB 3.98Å; W67-C118 HydrophobicContact CE3-CB 4.02Å; W67-C118 HydrophobicContact CH2-CB 3.83Å; W67-C118 HydrophobicContact CZ2-CB 3.79Å; W67-C118 HydrophobicContact CZ3-CB 3.93Å; W67-V131 HydrophobicContact CH2-CG2 3.99Å; W67-V131 HydrophobicContact CZ3-CG2 4.18Å
68I94.8Very high89.4Confident48 Ų4869.2 Ų69.225%0.24633%0.329CS..EExtended strand (participates in β ladder)trans-125.7127.5179.7-60.3170.1000108Q73 L74 Y116 K117I68-Q73 CarbonylContact C-O 3.54Å; I68-Q73 VanDerWaalsContact CA-O 3.31Å; I68-Q73 WeakPolarHBondContact CA-O 3.48Å; I68-L74 HydrophobicContact CG1-CD1 3.86Å; I68-Y116 CarbonylContact O-C 3.56Å; I68-Y116 WeakPolarHBondContact O-CA 3.45Å; I68-K117 PolarHBondContact N-O 2.97Å; I68-K117 PolarHBondContact O-N 2.9Å
69R95.7Very high89.4Confident59 Ų5968.2 Ų68.222%0.22332%0.322CS..EExtended strand (participates in β ladder)trans-81.6119.7162.3-178.7-178.8-172.3-167.1-2.3108.1R72 Q73 L75 D111 E113 Y116R69-R72 PolarHBondContact O-N 2.98Å; R69-Q73 HydrophobicContact CB-CB 4.13Å; R69-Q73 VanDerWaalsContact CD-OE1 3.32Å; R69-Q73 PolarHBondContact N-O 3.13Å; R69-Q73 PolarHBondContact O-N 3.09Å; R69-L75 HydrophobicContact CB-CD1 4.07Å; R69-L75 HydrophobicContact CB-CD2 4.33Å; R69-L75 HydrophobicContact CB-CG 4.31Å; R69-D111 VanDerWaalsContact CZ-O 3.28Å; R69-D111 PolarHBondContact NH1-O 2.94Å; R69-D111 VanDerWaalsContact NH1-O 3.1Å; R69-D111 PolarHBondContact NH2-O 2.84Å; R69-E113 PolarHBondContact NH2-O 3.37Å; R69-Y116 HydrophobicContact CB-CD1 4.06Å; R69-Y116 HydrophobicContact CB-CE1 3.9Å; R69-Y116 HydrophobicContact CG-CD1 4.42Å; R69-Y116 HydrophobicContact CG-CE1 4.05Å; R69-Y116 HydrophobicContact CG-CE2 4.38Å
70A91.7Very high89.7Confident32 Ų3265.7 Ų65.726%0.26432%0.317SS..THydrogen-bonded Turntrans-63.1147.9-175.800000111.1E115A70-E115 HydrophobicContact CB-CB 3.99Å; A70-E115 PolarHBondContact N-O 2.79Å
71P85Confident89.9Confident125 Ų12563.3 Ų63.381%0.81230%0.303SS*.THydrogen-bonded Turncis-86.7-18-1.132.1-33.6000114.6
72R87.7Confident90.2Very high234 Ų23465.6 Ų65.688%0.88332%0.32SS*.THydrogen-bonded Turntrans-148.622.9-165.7-63.8-170.9-179.6179.70.3116.7R69R69-R72 PolarHBondContact O-N 2.98Å
73Q93.5Very high90.7Very high79 Ų7964.9 Ų64.937%0.36932%0.316SS..EExtended strand (participates in β ladder)trans-104.3102.9178-174-178.128.400110.9I68 R69 L75I68-Q73 CarbonylContact C-O 3.54Å; I68-Q73 VanDerWaalsContact CA-O 3.31Å; I68-Q73 WeakPolarHBondContact CA-O 3.48Å; R69-Q73 HydrophobicContact CB-CB 4.13Å; R69-Q73 VanDerWaalsContact CD-OE1 3.32Å; R69-Q73 PolarHBondContact N-O 3.13Å; R69-Q73 PolarHBondContact O-N 3.09Å; Q73-L75 HydrophobicContact CG-CD2 3.87Å; Q73-L75 PolarHBondContact O-N 3.39Å
74L94.8Very high91Very high70 Ų7068.6 Ų68.637%0.36633%0.334SS..EExtended strand (participates in β ladder)trans-71.2118.2173-17763.6000109.7T66 I68 T76 V82T66-L74 HydrophobicContact CG2-CD1 4.21Å; I68-L74 HydrophobicContact CG1-CD1 3.86Å; L74-T76 VanDerWaalsContact CD1-O 3.31Å; L74-T76 WeakPolarHBondContact CD1-O 3.5Å; L74-V82 HydrophobicContact CD2-CB 4.45Å; L74-V82 HydrophobicContact CD2-CG1 4.1Å; L74-V82 HydrophobicContact CD2-CG2 4.3Å; L74-V82 HydrophobicContact CG-CB 4.35Å; L74-V82 HydrophobicContact CG-CG1 4.32Å; L74-V82 HydrophobicContact CG-CG2 4.47Å
75L94.7Very high91.2Very high3 Ų368.4 Ų68.42%0.01633%0.331CS..EExtended strand (participates in β ladder)trans-94.2-47.3-179.2-56.6179.1000110.9W67 R69 Q73 V82 T83 V88 L103 Y116W67-L75 HydrophobicContact CB-CB 4.29Å; W67-L75 WeakPolarHBondContact O-CA 3.46Å; W67-L75 WeakPolarHBondContact O-CB 3.41Å; W67-L75 PolarHBondContact O-N 3.3Å; R69-L75 HydrophobicContact CB-CD1 4.07Å; R69-L75 HydrophobicContact CB-CD2 4.33Å; R69-L75 HydrophobicContact CB-CG 4.31Å; Q73-L75 HydrophobicContact CG-CD2 3.87Å; Q73-L75 PolarHBondContact O-N 3.39Å; L75-V82 PolarHBondContact O-N 3.37Å; L75-T83 HydrophobicContact CB-CG2 4.37Å; L75-T83 HydrophobicContact CD2-CG2 4.14Å; L75-T83 PolarHBondContact O-N 3.28Å; L75-T83 VanDerWaalsContact O-N 3.1Å; L75-V88 HydrophobicContact CB-CG1 4.38Å; L75-L103 HydrophobicContact CD1-CD2 3.55Å; L75-Y116 HydrophobicContact CD1-CD1 3.59Å; L75-Y116 HydrophobicContact CD1-CE1 3.58Å
76T92.3Very high91.4Very high0 Ų073.5 Ų73.50%036%0.364CS..EExtended strand (participates in β ladder)trans-141.9153.2-176.7740000111.9T66 W67 L74 F80 L90 L103T66-T76 WeakPolarHBondContact CA-O 3.32Å; T66-T76 WeakPolarHBondContact CB-O 3.18Å; W67-T76 WeakPolarHBondContact CB-OG1 3.35Å; W67-T76 PolarHBondContact N-O 3.15Å; W67-T76 PolarHBondContact N-OG1 3.29Å; W67-T76 PolarHBondContact O-N 3.32Å; L74-T76 VanDerWaalsContact CD1-O 3.31Å; L74-T76 WeakPolarHBondContact CD1-O 3.5Å; T76-F80 VanDerWaalsContact CA-O 3.24Å; T76-F80 WeakPolarHBondContact CA-O 3.29Å; T76-F80 WeakPolarHBondContact CB-O 3.29Å; T76-L90 HydrophobicContact CG2-CD1 3.8Å; T76-L90 HydrophobicContact CG2-CD2 4.04Å; T76-L90 HydrophobicContact CG2-CG 3.91Å; T76-L103 HydrophobicContact CG2-CD1 3.5Å
77K90.9Very high91.5Very high121 Ų12174.7 Ų74.753%0.52637%0.366SS..EExtended strand (participates in β ladder)trans-137.7119170.4-177.4174.2-178.3-179.50109T66 V79 F80 V82T66-K77 HydrophobicContact CG2-CB 4.23Å; T66-K77 HydrophobicContact CG2-CG 4.04Å; K77-V79 PolarHBondContact O-N 3.21Å; K77-F80 PolarHBondContact N-O 3.38Å; K77-F80 PolarHBondContact O-N 3.31Å; K77-F80 VanDerWaalsContact O-N 3.12Å; K77-V82 HydrophobicContact CB-CG2 3.97Å
78G86.4Confident91.5Very high4 Ų474.8 Ų74.84%0.04137%0.367CS..THydrogen-bonded Turntrans52.3-126.6-164.400000111.2L62 L65 F80L62-G78 VanDerWaalsContact O-CA 3.28Å; L62-G78 WeakPolarHBondContact O-CA 3.44Å; L65-G78 PolarHBondContact O-N 3.28Å; G78-F80 VanDerWaalsContact C-N 3.3Å
79V82.3Confident91.3Very high55 Ų5575.9 Ų75.933%0.33337%0.37SS..THydrogen-bonded Turntrans-872.1-178.9-57.30000113.6L62 K77 L90 M93L62-V79 HydrophobicContact CD2-CG1 3.95Å; L62-V79 HydrophobicContact CG-CG1 4.34Å; K77-V79 PolarHBondContact O-N 3.21Å; V79-L90 VanDerWaalsContact C-CD1 3.47Å; V79-L90 WeakPolarHBondContact O-CD1 3.27Å; V79-M93 HydrophobicContact CB-CG 4.48Å; V79-M93 HydrophobicContact CB-SD 4.34Å; V79-M93 HydrophobicContact CG1-CE 4.19Å; V79-M93 HydrophobicContact CG1-CG 3.91Å; V79-M93 HydrophobicContact CG1-SD 3.29Å; V79-M93 WeakPolarHBondContact CG1-SD 3.25Å
80F87.8Confident90.8Very high150 Ų15074.5 Ų74.566%0.65837%0.367SS*.EExtended strand (participates in β ladder)trans-105.6135-173.6-58.3-74.8000111.7T76 K77 G78T76-F80 VanDerWaalsContact CA-O 3.24Å; T76-F80 WeakPolarHBondContact CA-O 3.29Å; T76-F80 WeakPolarHBondContact CB-O 3.29Å; K77-F80 PolarHBondContact N-O 3.38Å; K77-F80 PolarHBondContact O-N 3.31Å; K77-F80 VanDerWaalsContact O-N 3.12Å; G78-F80 VanDerWaalsContact C-N 3.3Å
81R90.2Very high89.9Confident119 Ų11974.1 Ų74.145%0.44936%0.364SS..EExtended strand (participates in β ladder)trans-75.6123167.2-174.3-176.970116.41109.1T83 E84 N85 P86 V88R81-T83 HydrophobicContact CG-CG2 3.81Å; R81-T83 WeakPolarHBondContact CG-O 3.25Å; R81-T83 PolarHBondContact NH1-O 2.89Å; R81-T83 VanDerWaalsContact NH1-O 3.09Å; R81-E84 PolarHBondContact NH1-O 3.12Å; R81-N85 PolarHBondContact NH1-O 2.79Å; R81-P86 VanDerWaalsContact NH1-CA 3.31Å; R81-V88 WeakPolarHBondContact CD-O 3.47Å
82V93.7Very high89.1Confident78 Ų7872.1 Ų72.147%0.47335%0.351SS..  trans-98-33.5177.8179.50000110.9L74 L75 K77L74-V82 HydrophobicContact CD2-CB 4.45Å; L74-V82 HydrophobicContact CD2-CG1 4.1Å; L74-V82 HydrophobicContact CD2-CG2 4.3Å; L74-V82 HydrophobicContact CG-CB 4.35Å; L74-V82 HydrophobicContact CG-CG1 4.32Å; L74-V82 HydrophobicContact CG-CG2 4.47Å; L75-V82 PolarHBondContact O-N 3.37Å; K77-V82 HydrophobicContact CB-CG2 3.97Å
83T93Very high87.7Confident17 Ų1765.2 Ų65.210%0.10433%0.33CS..SBendtrans-67.9144.4177-176.20000112.3L75 R81 N85 V88L75-T83 HydrophobicContact CB-CG2 4.37Å; L75-T83 HydrophobicContact CD2-CG2 4.14Å; L75-T83 PolarHBondContact O-N 3.28Å; L75-T83 VanDerWaalsContact O-N 3.1Å; R81-T83 HydrophobicContact CG-CG2 3.81Å; R81-T83 WeakPolarHBondContact CG-O 3.25Å; R81-T83 PolarHBondContact NH1-O 2.89Å; R81-T83 VanDerWaalsContact NH1-O 3.09Å; T83-N85 HydrophobicContact CG2-CB 4.22Å; T83-N85 PolarHBondContact O-N 3.27Å; T83-N85 WeakPolarHBondContact OG1-CB 3.47Å; T83-N85 PolarHBondContact OG1-N 2.9Å; T83-V88 HydrophobicContact CG2-CB 3.8Å; T83-V88 HydrophobicContact CG2-CG1 4Å; T83-V88 HydrophobicContact CG2-CG2 4.01Å
84E92.5Very high86.3Confident184 Ų18469.2 Ų69.286%0.8635%0.354SS*.SBendtrans-70.2-20.2171.3-65.2-177.617700112.5R81 P86R81-E84 PolarHBondContact NH1-O 3.12Å; E84-P86 WeakPolarHBondContact O-CD 3.33Å
85N93.8Very high84.3Confident39 Ų3972.1 Ų72.121%0.20937%0.369CS..  trans-61.3109.5-177-175.7-6.2000111.3R81 T83 R87 V88R81-N85 PolarHBondContact NH1-O 2.79Å; T83-N85 HydrophobicContact CG2-CB 4.22Å; T83-N85 PolarHBondContact O-N 3.27Å; T83-N85 WeakPolarHBondContact OG1-CB 3.47Å; T83-N85 PolarHBondContact OG1-N 2.9Å; N85-R87 PolarHBondContact ND2-NH2 3.11Å; N85-R87 VanDerWaalsContact ND2-NH2 3.13Å; N85-R87 PolarHBondContact O-N 3.38Å; N85-R87 WeakPolarHBondContact OD1-CB 3.42Å; N85-R87 PolarHBondContact OD1-N 2.64Å; N85-R87 VanDerWaalsContact OD1-N 3.1Å; N85-R87 PolarHBondContact OD1-NE 3.46Å; N85-V88 HydrophobicContact CB-CG2 4.18Å; N85-V88 PolarHBondContact O-N 2.94Å
86P93.3Very high82.5Confident107 Ų10774.6 Ų74.670%0.69538%0.382SS*.THydrogen-bonded Turntrans-71.1-13.6-174.330.9-36.2000113.1R81 E84 V88R81-P86 VanDerWaalsContact NH1-CA 3.31Å; E84-P86 WeakPolarHBondContact O-CD 3.33Å; P86-V88 PolarHBondContact O-N 2.84Å
87R94.1Very high80.7Confident44 Ų4484.4 Ų84.417%0.16643%0.425CS..THydrogen-bonded Turntrans-73.9-18.1177.5-57.7-176.7-63.1102.5-1.8112.4N85 F89 L105 R106 P107 D112N85-R87 PolarHBondContact ND2-NH2 3.11Å; N85-R87 VanDerWaalsContact ND2-NH2 3.13Å; N85-R87 PolarHBondContact O-N 3.38Å; N85-R87 WeakPolarHBondContact OD1-CB 3.42Å; N85-R87 PolarHBondContact OD1-N 2.64Å; N85-R87 VanDerWaalsContact OD1-N 3.1Å; N85-R87 PolarHBondContact OD1-NE 3.46Å; R87-F89 WeakPolarHBondContact O-CD1 3.48Å; R87-L105 CarbonylContact O-C 3.51Å; R87-L105 VanDerWaalsContact O-CA 3.29Å; R87-L105 WeakPolarHBondContact O-CA 3.42Å; R87-R106 WeakPolarHBondContact CA-O 3.4Å; R87-R106 WeakPolarHBondContact CB-O 3.13Å; R87-R106 PolarHBondContact O-N 2.88Å; R87-P107 WeakPolarHBondContact CD-O 3.41Å; R87-P107 PolarHBondContact NH1-O 2.99Å; R87-D112 IonicContact CZ-OD1 2.73Å; R87-D112 IonicContact CZ-OD2 3.56Å; R87-D112 IonicContact NH1-OD1 3.65Å; R87-D112 PolarHBondContact NH1-OD1 2.81Å; R87-D112 IonicContact NH1-OD2 3.47Å; R87-D112 PolarHBondContact NH1-OD2 3.39Å; R87-D112 IonicContact NH2-OD1 3.29Å; R87-D112 PolarHBondContact NH2-OD1 3.02Å; R87-D112 IonicContact NH2-OD2 2.67Å
88V94.4Very high78.8Confident3 Ų383.8 Ų83.82%0.01843%0.431CS..EExtended strand (participates in β ladder)trans-88.8123.3179-179.90000109.2L75 R81 T83 N85 P86 L103 Y104 L105L75-V88 HydrophobicContact CB-CG1 4.38Å; R81-V88 WeakPolarHBondContact CD-O 3.47Å; T83-V88 HydrophobicContact CG2-CB 3.8Å; T83-V88 HydrophobicContact CG2-CG1 4Å; T83-V88 HydrophobicContact CG2-CG2 4.01Å; N85-V88 HydrophobicContact CB-CG2 4.18Å; N85-V88 PolarHBondContact O-N 2.94Å; P86-V88 PolarHBondContact O-N 2.84Å; V88-L103 HydrophobicContact CG1-CD1 3.59Å; V88-L103 HydrophobicContact CG1-CD2 4.4Å; V88-L103 HydrophobicContact CG1-CG 4.17Å; V88-Y104 WeakPolarHBondContact CA-O 3.42Å; V88-L105 HydrophobicContact CG2-CG 4.38Å
89F89.2Confident77.3Confident70 Ų7088.5 Ų88.531%0.30745%0.45SS..EExtended strand (participates in β ladder)trans-141.9158.1176.857.3-78.9000111.6M46 R87 Y104 R106M46-F89 HydrophobicContact CG-CZ 4.19Å; M46-F89 HydrophobicContact SD-CE2 4.22Å; M46-F89 HydrophobicContact SD-CZ 3.69Å; R87-F89 WeakPolarHBondContact O-CD1 3.48Å; F89-Y104 HydrophobicContact CD2-CD2 4.11Å; F89-Y104 AromaticContact CD2-CG 3.98Å; F89-Y104 HydrophobicContact CD2-CG 3.98Å; F89-Y104 HydrophobicContact CE2-CD1 4.04Å; F89-Y104 AromaticContact CE2-CD2 4Å; F89-Y104 HydrophobicContact CE2-CD2 4Å; F89-Y104 AromaticContact CE2-CG 3.48Å; F89-Y104 HydrophobicContact CE2-CG 3.48Å; F89-Y104 VanDerWaalsContact CE2-CG 3.48Å; F89-Y104 HydrophobicContact CZ-CD1 4.27Å; F89-Y104 AromaticContact CZ-CG 3.88Å; F89-Y104 HydrophobicContact CZ-CG 3.88Å; F89-Y104 PolarHBondContact N-O 2.89Å; F89-Y104 PolarHBondContact O-N 2.89Å; F89-R106 HydrophobicContact CE1-CB 3.52Å; F89-R106 HydrophobicContact CZ-CB 3.98Å
90L85.1Confident76.3Confident30 Ų3087.4 Ų87.416%0.15745%0.447CS..EExtended strand (participates in β ladder)trans-106.7149.5173.6-69.7161.4000108.4T76 V79 L101 L103T76-L90 HydrophobicContact CG2-CD1 3.8Å; T76-L90 HydrophobicContact CG2-CD2 4.04Å; T76-L90 HydrophobicContact CG2-CG 3.91Å; V79-L90 VanDerWaalsContact C-CD1 3.47Å; V79-L90 WeakPolarHBondContact O-CD1 3.27Å; L90-L101 HydrophobicContact CD2-CD2 4.26Å; L90-L101 HydrophobicContact CD2-CG 4.45Å; L90-L103 HydrophobicContact CD2-CD1 4.21Å
91A73.3Confident75.8Confident25 Ų2581 Ų8121%0.20742%0.42CS..  trans-60.2137170.800000110.4M93 Y104A91-M93 PolarHBondContact O-N 3.48Å; A91-Y104 HydrophobicContact CB-CE2 3.82Å
92P67.3Low75.6Confident83 Ų8375.5 Ų75.554%0.53940%0.4SS..  trans-57.1134.8173-2231.1000111.3D94 L95P92-D94 PolarHBondContact O-N 3.16Å; P92-D94 VanDerWaalsContact O-N 3.14Å; P92-L95 HydrophobicContact CG-CD1 4.47Å; P92-L95 PolarHBondContact O-N 2.7Å; P92-L95 VanDerWaalsContact O-N 3.15Å
93M59.3Low75.5Confident88 Ų8871.8 Ų71.843%0.43338%0.377SS..G310 helixtrans-57.6-29.9-177-67.7-71.5-62.300113.6L62 V79 A91 L95 L96 L101L62-M93 HydrophobicContact CD2-CE 3.68Å; L62-M93 HydrophobicContact CD2-SD 4.4Å; V79-M93 HydrophobicContact CB-CG 4.48Å; V79-M93 HydrophobicContact CB-SD 4.34Å; V79-M93 HydrophobicContact CG1-CE 4.19Å; V79-M93 HydrophobicContact CG1-CG 3.91Å; V79-M93 HydrophobicContact CG1-SD 3.29Å; V79-M93 WeakPolarHBondContact CG1-SD 3.25Å; A91-M93 PolarHBondContact O-N 3.48Å; M93-L95 PolarHBondContact O-N 2.59Å; M93-L95 VanDerWaalsContact O-N 3.08Å; M93-L96 HydrophobicContact CB-CD1 4.18Å; M93-L96 HydrophobicContact CE-CD1 3.61Å; M93-L96 HydrophobicContact CG-CD1 4.18Å; M93-L96 VanDerWaalsContact O-CB 3.32Å; M93-L96 WeakPolarHBondContact O-CB 3.4Å; M93-L96 PolarHBondContact O-N 3.02Å; M93-L96 HydrophobicContact SD-CD1 3.13Å; M93-L96 WeakPolarHBondContact SD-CD1 3.44Å; M93-L96 HydrophobicContact SD-CG 4.5Å; M93-L101 HydrophobicContact SD-CD1 4.3Å
94D63.2Low75.5Confident163 Ų16372.8 Ų72.887%0.87238%0.379SS*.G310 helixtrans-62.2-17.3-179-66.2-20.3000113.5P92P92-D94 PolarHBondContact O-N 3.16Å; P92-D94 VanDerWaalsContact O-N 3.14Å
95L52.9Low75.6Confident132 Ų13264 Ų6469%0.69134%0.338SS*.G310 helixtrans-95.5-5.3176.5-66.2165.9000113.3P92 M93 K97P92-L95 HydrophobicContact CG-CD1 4.47Å; P92-L95 PolarHBondContact O-N 2.7Å; P92-L95 VanDerWaalsContact O-N 3.15Å; M93-L95 PolarHBondContact O-N 2.59Å; M93-L95 VanDerWaalsContact O-N 3.08Å; L95-K97 PolarHBondContact O-N 3.2Å
96L56.9Low75.7Confident54 Ų5469.1 Ų69.128%0.28336%0.355SS..  trans-80.461.1-178.6-62.4171.2000112M93 L101M93-L96 HydrophobicContact CB-CD1 4.18Å; M93-L96 HydrophobicContact CE-CD1 3.61Å; M93-L96 HydrophobicContact CG-CD1 4.18Å; M93-L96 VanDerWaalsContact O-CB 3.32Å; M93-L96 WeakPolarHBondContact O-CB 3.4Å; M93-L96 PolarHBondContact O-N 3.02Å; M93-L96 HydrophobicContact SD-CD1 3.13Å; M93-L96 WeakPolarHBondContact SD-CD1 3.44Å; M93-L96 HydrophobicContact SD-CG 4.5Å; L96-L101 HydrophobicContact CD1-CD1 3.94Å
97K54.8Low75.8Confident207 Ų20766.8 Ų66.890%0.934%0.34SS*.SBendtrans-72.2-16.1158.1-79.3-176.8177178.70111.5L95L95-K97 PolarHBondContact O-N 3.2Å
98T50.9Low75.9Confident107 Ų10764.7 Ų64.766%0.65633%0.332SS*.SBendtrans-126.9144.8-177.450.20000112A100T98-A100 PolarHBondContact O-N 2.83Å; T98-A100 VanDerWaalsContact O-N 3.07Å
99K55.1Low76Confident103 Ų10367.9 Ų67.945%0.44835%0.348SS..SBendtrans-83.360.6-162.3-56.5168.2170.6168.40115I53 D54 I55I53-K99 WeakPolarHBondContact O-CB 3.38Å; I53-K99 VanDerWaalsContact O-O 3.1Å; D54-K99 VanDerWaalsContact C-CD 3.48Å; D54-K99 PolarHBondContact O-NZ 2.96Å; I55-K99 VanDerWaalsContact C-CE 3.46Å
100A61.1Low76.3Confident33 Ų3367.3 Ų67.327%0.27335%0.351SS..BIsolated β-bridgetrans-135.9112.5170.300000110.5T98 S102T98-A100 PolarHBondContact O-N 2.83Å; T98-A100 VanDerWaalsContact O-N 3.07Å; A100-S102 PolarHBondContact O-N 2.96Å; A100-S102 VanDerWaalsContact O-N 3.08Å
101L77.7Confident76.8Confident16 Ų1672.4 Ų72.48%0.08438%0.379CS..  trans-83.972.6169.2-143.685.8000108.6L62 L65 W67 L90 M93 L96L62-L101 HydrophobicContact CD1-CD1 4.09Å; L62-L101 HydrophobicContact CD1-CD2 4.28Å; L65-L101 HydrophobicContact CD1-CB 3.73Å; L65-L101 HydrophobicContact CD1-CD2 3.9Å; L65-L101 HydrophobicContact CD1-CG 4.41Å; L65-L101 HydrophobicContact CD2-CB 4.34Å; L65-L101 HydrophobicContact CD2-CD2 3.46Å; L65-L101 VanDerWaalsContact CD2-CD2 3.46Å; L65-L101 HydrophobicContact CD2-CG 4.49Å; L65-L101 HydrophobicContact CG-CD2 4.19Å; W67-L101 PolarHBondContact NE1-O 2.67Å; L90-L101 HydrophobicContact CD2-CD2 4.26Å; L90-L101 HydrophobicContact CD2-CG 4.45Å; M93-L101 HydrophobicContact SD-CD1 4.3Å; L96-L101 HydrophobicContact CD1-CD1 3.94Å
102S86.3Confident77.8Confident3 Ų371.3 Ų71.32%0.02137%0.37CS..  trans-70136.9-179.9-57.10000111E48 L49 A100 Y104E48-S102 WeakPolarHBondContact OE1-CB 3.26Å; E48-S102 PolarHBondContact OE1-OG 3.25Å; L49-S102 CarbonylContact O-C 3.54Å; L49-S102 WeakPolarHBondContact O-CA 3.49Å; A100-S102 PolarHBondContact O-N 2.96Å; A100-S102 VanDerWaalsContact O-N 3.08Å; S102-Y104 WeakPolarHBondContact O-CD2 3.33Å; S102-Y104 WeakPolarHBondContact O-CE2 3.3Å
103L91.9Very high79.2Confident0 Ų071.4 Ų71.40%036%0.363CS..EExtended strand (participates in β ladder)trans-89.9136168.7-171.980.6000109.1L49 W67 L75 T76 V88 L90 L105 Y116L49-L103 HydrophobicContact CB-CB 4.18Å; L49-L103 HydrophobicContact CD1-CB 4.49Å; L49-L103 HydrophobicContact CD1-CD2 3.87Å; L49-L103 HydrophobicContact CG-CB 4.42Å; L49-L103 PolarHBondContact N-O 2.83Å; L49-L103 PolarHBondContact O-N 2.89Å; W67-L103 HydrophobicContact CB-CD1 4.11Å; W67-L103 HydrophobicContact CB-CD2 4.24Å; W67-L103 HydrophobicContact CD2-CB 3.76Å; W67-L103 HydrophobicContact CD2-CD2 4.25Å; W67-L103 HydrophobicContact CD2-CG 4.45Å; W67-L103 HydrophobicContact CE3-CB 4.31Å; W67-L103 HydrophobicContact CE3-CD2 4.3Å; W67-L103 HydrophobicContact CG-CB 3.95Å; W67-L103 HydrophobicContact CG-CD1 4.06Å; W67-L103 HydrophobicContact CG-CD2 4.26Å; W67-L103 HydrophobicContact CG-CG 4.32Å; W67-L103 HydrophobicContact CZ2-CB 4.09Å; L75-L103 HydrophobicContact CD1-CD2 3.55Å; T76-L103 HydrophobicContact CG2-CD1 3.5Å; V88-L103 HydrophobicContact CG1-CD1 3.59Å; V88-L103 HydrophobicContact CG1-CD2 4.4Å; V88-L103 HydrophobicContact CG1-CG 4.17Å; L90-L103 HydrophobicContact CD2-CD1 4.21Å; L103-L105 HydrophobicContact CD2-CD1 4Å; L103-L105 HydrophobicContact CG-CD1 4.46Å; L103-Y116 HydrophobicContact CD2-CD1 4.06Å; L103-Y116 HydrophobicContact CD2-CE1 4.42Å
104Y92.6Very high80.9Confident37 Ų3768.6 Ų68.615%0.14536%0.356CS..EExtended strand (participates in β ladder)trans-116.7142.4177.4-61.4-97.5000111.9M46 A47 E48 V88 F89 A91 S102M46-Y104 HydrophobicContact CE-CD1 3.94Å; M46-Y104 HydrophobicContact CE-CE1 3.99Å; M46-Y104 HydrophobicContact CG-CD1 4.07Å; M46-Y104 HydrophobicContact SD-CD1 3.55Å; M46-Y104 VanDerWaalsContact SD-CD1 3.55Å; M46-Y104 HydrophobicContact SD-CE1 4.15Å; M46-Y104 HydrophobicContact SD-CG 4.43Å; A47-Y104 VanDerWaalsContact O-CA 3.24Å; A47-Y104 WeakPolarHBondContact O-CA 3.29Å; E48-Y104 HydrophobicContact CB-CD1 3.91Å; E48-Y104 HydrophobicContact CB-CE1 3.72Å; E48-Y104 HydrophobicContact CG-CD1 4.04Å; E48-Y104 HydrophobicContact CG-CE1 3.49Å; E48-Y104 VanDerWaalsContact CG-CE1 3.49Å; E48-Y104 PolarHBondContact OE1-OH 3.48Å; V88-Y104 WeakPolarHBondContact CA-O 3.42Å; F89-Y104 HydrophobicContact CD2-CD2 4.11Å; F89-Y104 AromaticContact CD2-CG 3.98Å; F89-Y104 HydrophobicContact CD2-CG 3.98Å; F89-Y104 HydrophobicContact CE2-CD1 4.04Å; F89-Y104 AromaticContact CE2-CD2 4Å; F89-Y104 HydrophobicContact CE2-CD2 4Å; F89-Y104 AromaticContact CE2-CG 3.48Å; F89-Y104 HydrophobicContact CE2-CG 3.48Å; F89-Y104 VanDerWaalsContact CE2-CG 3.48Å; F89-Y104 HydrophobicContact CZ-CD1 4.27Å; F89-Y104 AromaticContact CZ-CG 3.88Å; F89-Y104 HydrophobicContact CZ-CG 3.88Å; F89-Y104 PolarHBondContact N-O 2.89Å; F89-Y104 PolarHBondContact O-N 2.89Å; A91-Y104 HydrophobicContact CB-CE2 3.82Å; S102-Y104 WeakPolarHBondContact O-CD2 3.33Å; S102-Y104 WeakPolarHBondContact O-CE2 3.3Å
105L95.2Very high82.5Confident1 Ų165.1 Ų65.11%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-121122.4169.8-70.888000109.7M46 A47 L49 R87 V88 L103 T108 D112 Y116M46-L105 WeakPolarHBondContact CA-O 3.06Å; A47-L105 HydrophobicContact CB-CB 4.29Å; A47-L105 PolarHBondContact N-O 2.86Å; A47-L105 PolarHBondContact O-N 2.97Å; L49-L105 HydrophobicContact CD1-CD1 3.99Å; L49-L105 HydrophobicContact CG-CD1 4.19Å; R87-L105 CarbonylContact O-C 3.51Å; R87-L105 VanDerWaalsContact O-CA 3.29Å; R87-L105 WeakPolarHBondContact O-CA 3.42Å; V88-L105 HydrophobicContact CG2-CG 4.38Å; L103-L105 HydrophobicContact CD2-CD1 4Å; L103-L105 HydrophobicContact CG-CD1 4.46Å; L105-T108 HydrophobicContact CB-CG2 4.25Å; L105-D112 HydrophobicContact CD2-CB 4.07Å; L105-Y116 HydrophobicContact CD1-CE1 4.29Å; L105-Y116 HydrophobicContact CD2-CE1 4.39Å
106R94.5Very high84.6Confident146 Ų14659 Ų5955%0.55130%0.303SS*.SBendtrans-146.3125.9176.7-169.9-169.8-70.9-170.5-6.3112M46 R87 F89M46-R106 HydrophobicContact CB-CB 4.35Å; M46-R106 HydrophobicContact CB-CG 4.29Å; M46-R106 HydrophobicContact CG-CB 4.29Å; M46-R106 PolarHBondContact SD-NH2 2.71Å; R87-R106 WeakPolarHBondContact CA-O 3.4Å; R87-R106 WeakPolarHBondContact CB-O 3.13Å; R87-R106 PolarHBondContact O-N 2.88Å; F89-R106 HydrophobicContact CE1-CB 3.52Å; F89-R106 HydrophobicContact CZ-CB 3.98Å
107P96.3Very high86.4Confident58 Ų5859.9 Ų59.938%0.37730%0.304SS..SBendcis-68.1153.7-15.829.6-34.2000111.2R87R87-P107 WeakPolarHBondContact CD-O 3.41Å; R87-P107 PolarHBondContact NH1-O 2.99Å
108T96.3Very high88.2Confident0 Ų050 Ų500%026%0.261CS..  trans-72142.4163.850.90000110.8V41 K42 N43 G44 S45 A47 L105 I135V41-T108 HydrophobicContact CG1-CG2 3.88Å; K42-T108 PolarHBondContact O-OG1 3.17Å; N43-T108 PolarHBondContact OD1-O 2.9Å; N43-T108 VanDerWaalsContact OD1-O 3.04Å; G44-T108 WeakPolarHBondContact CA-O 3.33Å; G44-T108 PolarHBondContact N-O 3.45Å; G44-T108 PolarHBondContact N-OG1 2.93Å; S45-T108 PolarHBondContact N-OG1 2.95Å; S45-T108 PolarHBondContact O-N 3.08Å; S45-T108 PolarHBondContact O-OG1 3.23Å; A47-T108 HydrophobicContact CB-CG2 3.55Å; L105-T108 HydrophobicContact CB-CG2 4.25Å; T108-I135 HydrophobicContact CG2-CD1 4.16Å
109L96.6Very high90.1Very high69 Ų6946.5 Ų46.536%0.36124%0.24SC..  trans-122.9156.6176.7-60.3176.6000109.5D111 D112 I135L109-D111 PolarHBondContact O-N 2.83Å; L109-D112 PolarHBondContact N-OD2 3.32Å; L109-D112 VanDerWaalsContact O-CB 3.3Å; L109-D112 WeakPolarHBondContact O-CB 3.06Å; L109-D112 PolarHBondContact O-N 2.76Å; L109-I135 WeakPolarHBondContact O-CG1 3.4Å
110P95.2Very high91.7Very high58 Ų5841.6 Ų41.638%0.37722%0.218SC..G310 helixtrans-55-38.6177.9-25.235.9000112.6N43 D112 E113 I137N43-P110 WeakPolarHBondContact OD1-CD 3.47Å; P110-D112 PolarHBondContact O-N 2.83Å; P110-D112 VanDerWaalsContact O-N 3.09Å; P110-E113 WeakPolarHBondContact O-CB 3.42Å; P110-E113 PolarHBondContact O-N 2.97Å; P110-E113 VanDerWaalsContact O-N 3.12Å; P110-I137 HydrophobicContact CG-CD1 4.19Å
111D94.7Very high93Very high137 Ų13743.3 Ų43.373%0.73322%0.222SC*.G310 helixtrans-68.6-3.5178-64.4-7.4000114.2R69 L109 E113R69-D111 VanDerWaalsContact CZ-O 3.28Å; R69-D111 PolarHBondContact NH1-O 2.94Å; R69-D111 VanDerWaalsContact NH1-O 3.1Å; R69-D111 PolarHBondContact NH2-O 2.84Å; L109-D111 PolarHBondContact O-N 2.83Å; D111-E113 VanDerWaalsContact C-N 3.33Å
112D95.4Very high93.2Very high3 Ų343.7 Ų43.72%0.01622%0.224CC..G310 helixtrans-83.8-9.5172.1-63.5-38.8000112.5R87 L105 L109 P110 Y116 L133R87-D112 IonicContact CZ-OD1 2.73Å; R87-D112 IonicContact CZ-OD2 3.56Å; R87-D112 IonicContact NH1-OD1 3.65Å; R87-D112 PolarHBondContact NH1-OD1 2.81Å; R87-D112 IonicContact NH1-OD2 3.47Å; R87-D112 PolarHBondContact NH1-OD2 3.39Å; R87-D112 IonicContact NH2-OD1 3.29Å; R87-D112 PolarHBondContact NH2-OD1 3.02Å; R87-D112 IonicContact NH2-OD2 2.67Å; L105-D112 HydrophobicContact CD2-CB 4.07Å; L109-D112 PolarHBondContact N-OD2 3.32Å; L109-D112 VanDerWaalsContact O-CB 3.3Å; L109-D112 WeakPolarHBondContact O-CB 3.06Å; L109-D112 PolarHBondContact O-N 2.76Å; P110-D112 PolarHBondContact O-N 2.83Å; P110-D112 VanDerWaalsContact O-N 3.09Å; D112-Y116 WeakPolarHBondContact O-CE2 3.29Å; D112-Y116 PolarHBondContact O-OH 2.77Å; D112-L133 HydrophobicContact CB-CD2 4.26Å
113E95.5Very high93Very high84 Ų8451.6 Ų51.639%0.39326%0.258SS..  trans-55.7141.2178-176.5157.4-13700111.6R69 P110 D111 L133 I135R69-E113 PolarHBondContact NH2-O 3.37Å; P110-E113 WeakPolarHBondContact O-CB 3.42Å; P110-E113 PolarHBondContact O-N 2.97Å; P110-E113 VanDerWaalsContact O-N 3.12Å; D111-E113 VanDerWaalsContact C-N 3.33Å; E113-L133 WeakPolarHBondContact CA-O 3.28Å; E113-L133 WeakPolarHBondContact CG-O 2.96Å; E113-I135 HydrophobicContact CB-CG1 4.29Å
114G95.9Very high92.4Very high29 Ų2957.5 Ų57.530%0.29929%0.29SS..EExtended strand (participates in β ladder)trans138.3-167.4178.600000114.6L133G114-L133 PolarHBondContact N-O 2.97Å; G114-L133 PolarHBondContact O-N 3.14Å
115E97.1Very high92Very high90 Ų9061.2 Ų61.242%0.42130%0.304SS..EExtended strand (participates in β ladder)trans-94.2130.5-176-63.4-172.6163.300112.4A70 K117 T130A70-E115 HydrophobicContact CB-CB 3.99Å; A70-E115 PolarHBondContact N-O 2.79Å; E115-K117 IonicContact OE2-NZ 3.52Å; E115-T130 HydrophobicContact CB-CG2 4.15Å; E115-T130 HydrophobicContact CG-CG2 4.31Å
116Y96.2Very high91.7Very high4 Ų463.1 Ų63.12%0.01631%0.314CS..EExtended strand (participates in β ladder)trans-117126.2174.5-69.3-104.1000109.1L49 I68 R69 L75 L103 L105 D112 T130 V131 L133L49-Y116 HydrophobicContact CD1-CD1 3.53Å; L49-Y116 HydrophobicContact CD1-CD2 3.91Å; L49-Y116 HydrophobicContact CD1-CE1 4.17Å; L49-Y116 HydrophobicContact CD1-CG 3.38Å; I68-Y116 CarbonylContact O-C 3.56Å; I68-Y116 WeakPolarHBondContact O-CA 3.45Å; R69-Y116 HydrophobicContact CB-CD1 4.06Å; R69-Y116 HydrophobicContact CB-CE1 3.9Å; R69-Y116 HydrophobicContact CG-CD1 4.42Å; R69-Y116 HydrophobicContact CG-CE1 4.05Å; R69-Y116 HydrophobicContact CG-CE2 4.38Å; L75-Y116 HydrophobicContact CD1-CD1 3.59Å; L75-Y116 HydrophobicContact CD1-CE1 3.58Å; L103-Y116 HydrophobicContact CD2-CD1 4.06Å; L103-Y116 HydrophobicContact CD2-CE1 4.42Å; L105-Y116 HydrophobicContact CD1-CE1 4.29Å; L105-Y116 HydrophobicContact CD2-CE1 4.39Å; D112-Y116 WeakPolarHBondContact O-CE2 3.29Å; D112-Y116 PolarHBondContact O-OH 2.77Å; Y116-T130 CarbonylContact O-C 3.53Å; Y116-T130 WeakPolarHBondContact O-CA 3.25Å; Y116-V131 PolarHBondContact N-O 3.17Å; Y116-V131 PolarHBondContact O-N 2.8Å; Y116-L133 HydrophobicContact CD2-CB 4Å; Y116-L133 HydrophobicContact CD2-CD2 4.41Å; Y116-L133 HydrophobicContact CE2-CB 3.94Å; Y116-L133 HydrophobicContact CE2-CD2 3.72Å; Y116-L133 HydrophobicContact CE2-CG 4.45Å
117K94.7Very high91.5Very high72 Ų7258 Ų5831%0.31330%0.295SS..EExtended strand (participates in β ladder)trans-112.8117.7-176.4-60.5-170.9178.3-174.40109.9W67 I68 E115 T119 V128 H129 T130W67-K117 WeakPolarHBondContact CA-O 3.45Å; I68-K117 PolarHBondContact N-O 2.97Å; I68-K117 PolarHBondContact O-N 2.9Å; E115-K117 IonicContact OE2-NZ 3.52Å; K117-T119 HydrophobicContact CB-CG2 4.4Å; K117-V128 HydrophobicContact CB-CG1 4.42Å; K117-V128 HydrophobicContact CD-CG1 4.38Å; K117-H129 CarbonylContact C-O 3.55Å; K117-H129 WeakPolarHBondContact CA-O 3.29Å; K117-T130 HydrophobicContact CG-CG2 4.04Å
118C91.9Very high91.3Very high0 Ų056 Ų560%028%0.282CS..EExtended strand (participates in β ladder)trans-84.4118.6163.6175.50000107.7C51 T66 W67 V128 H129C51-C118 HydrophobicContact CB-CB 3.66Å; C51-C118 WeakPolarHBondContact CB-SG 3.46Å; C51-C118 WeakPolarHBondContact SG-CB 3.48Å; C51-C118 CovalentContact SG-SG 2.05Å; C51-C118 PolarHBondContact SG-SG 3.25Å; T66-C118 CarbonylContact O-C 3.51Å; T66-C118 WeakPolarHBondContact O-CA 3.35Å; W67-C118 HydrophobicContact CD2-CB 3.98Å; W67-C118 HydrophobicContact CE3-CB 4.02Å; W67-C118 HydrophobicContact CH2-CB 3.83Å; W67-C118 HydrophobicContact CZ2-CB 3.79Å; W67-C118 HydrophobicContact CZ3-CB 3.93Å; C118-V128 CarbonylContact O-C 3.53Å; C118-V128 WeakPolarHBondContact O-CA 3.1Å; C118-H129 HydrophobicContact CB-CB 4.23Å; C118-H129 PolarHBondContact N-O 3.44Å; C118-H129 PolarHBondContact O-N 2.82Å
119T91.8Very high91.1Very high33 Ų3356.4 Ų56.420%0.20228%0.284CS..EExtended strand (participates in β ladder)trans-118.7138.2176.3730000110.6L65 T66 K117 H127 V128L65-T119 CarbonylContact C-O 3.58Å; L65-T119 VanDerWaalsContact CA-O 3.3Å; L65-T119 WeakPolarHBondContact CA-O 3.42Å; T66-T119 PolarHBondContact N-O 3.5Å; T66-T119 PolarHBondContact O-N 3.19Å; T66-T119 PolarHBondContact OG1-OG1 3.31Å; K117-T119 HydrophobicContact CB-CG2 4.4Å; T119-H127 CarbonylContact C-O 3.51Å; T119-H127 VanDerWaalsContact CA-O 3.28Å; T119-H127 WeakPolarHBondContact CA-O 3.39Å; T119-V128 HydrophobicContact CG2-CB 4.5Å; T119-V128 HydrophobicContact CG2-CG1 4.15Å; T119-V128 HydrophobicContact CG2-CG2 4.03Å
120L88.5Confident91Very high0 Ų053.8 Ų53.80%027%0.271CS..EExtended strand (participates in β ladder)trans-142.5138.3-177.2173.573.2000109.6I53 L57 E61 L65 L122 H127I53-L120 HydrophobicContact CD1-CD2 3.86Å; I53-L120 HydrophobicContact CG1-CD2 4.28Å; I53-L120 HydrophobicContact CG2-CD2 4.21Å; L57-L120 HydrophobicContact CD1-CD1 4.13Å; L57-L120 HydrophobicContact CD1-CD2 4.32Å; L57-L120 HydrophobicContact CD2-CD1 4.31Å; L57-L120 HydrophobicContact CD2-CD2 3.73Å; E61-L120 VanDerWaalsContact O-CD1 3.24Å; E61-L120 WeakPolarHBondContact O-CD1 3.23Å; L65-L120 HydrophobicContact CB-CD1 3.94Å; L120-L122 HydrophobicContact CD2-CD1 3.97Å; L120-L122 HydrophobicContact CD2-CD2 3.76Å; L120-L122 HydrophobicContact CD2-CG 3.67Å; L120-L122 HydrophobicContact CG-CD2 4.24Å; L120-L122 HydrophobicContact CG-CG 4.02Å; L120-H127 PolarHBondContact N-O 2.8Å; L120-H127 PolarHBondContact O-N 2.83Å
121I88.1Confident91Very high70 Ų7051 Ų5136%0.35925%0.253SS..EExtended strand (participates in β ladder)trans-103113.3174.8-55.3176.5000108.6T64 R125 I126T64-I121 HydrophobicContact CG2-CB 4.26Å; T64-I121 PolarHBondContact OG1-N 3.09Å; T64-I121 VanDerWaalsContact OG1-N 3.17Å; T64-I121 PolarHBondContact OG1-O 3.01Å; I121-R125 WeakPolarHBondContact CA-O 3.42Å; I121-I126 HydrophobicContact CG1-CG1 4.46Å
122L83.4Confident91.1Very high23 Ų2345.7 Ų45.712%0.1223%0.227CC..EExtended strand (participates in β ladder)trans-108.1103177.3-72.4175.8000109.7I55 L57 E61 L120 D124 R125I55-L122 HydrophobicContact CD1-CD1 4.02Å; L57-L122 HydrophobicContact CD2-CD2 3.71Å; E61-L122 HydrophobicContact CB-CD2 4.44Å; E61-L122 HydrophobicContact CG-CD2 4.21Å; L120-L122 HydrophobicContact CD2-CD1 3.97Å; L120-L122 HydrophobicContact CD2-CD2 3.76Å; L120-L122 HydrophobicContact CD2-CG 3.67Å; L120-L122 HydrophobicContact CG-CD2 4.24Å; L120-L122 HydrophobicContact CG-CG 4.02Å; L122-D124 PolarHBondContact O-N 2.82Å; L122-R125 PolarHBondContact N-O 2.84Å; L122-R125 PolarHBondContact O-N 2.9Å
123K81.4Confident91.2Very high169 Ų16945.5 Ų45.574%0.73523%0.226SC*.THydrogen-bonded Turntrans54.8-104.5-172.1-55.5178.2179.7-178.50109.8
124D78.5Confident91.3Very high125 Ų12544.7 Ų44.767%0.66822%0.224SC*.THydrogen-bonded Turntrans-11216.5-179.6-54.3-47.4000113.5L122L122-D124 PolarHBondContact O-N 2.82Å
125R85.8Confident91.4Very high115 Ų11543.3 Ų43.343%0.43421%0.21SC..EExtended strand (participates in β ladder)trans-117.7139.8180-62.6-179.4-71.8-174.20.7110.5N31 Y33 I121 L122N31-R125 HydrophobicContact CB-CG 4.34Å; N31-R125 WeakPolarHBondContact O-CA 3.4Å; Y33-R125 HydrophobicContact CD2-CB 4.49Å; Y33-R125 HydrophobicContact CE2-CB 4.41Å; Y33-R125 HydrophobicContact CE2-CG 4.24Å; I121-R125 WeakPolarHBondContact CA-O 3.42Å; L122-R125 PolarHBondContact N-O 2.84Å; L122-R125 PolarHBondContact O-N 2.9Å
126I88.9Confident91.4Very high41 Ų4139.8 Ų39.821%0.2120%0.195CC..EExtended strand (participates in β ladder)trans-99126.2172.3-58.6170.1000107.6Q30 N31 V32 Y33 I121 V128Q30-I126 HydrophobicContact CB-CD1 4.13Å; Q30-I126 HydrophobicContact CB-CG1 4.23Å; N31-I126 PolarHBondContact O-N 2.97Å; V32-I126 CarbonylContact C-O 3.44Å; V32-I126 VanDerWaalsContact CA-O 3.3Å; V32-I126 WeakPolarHBondContact CA-O 3.09Å; V32-I126 HydrophobicContact CG1-CG2 4.5Å; V32-I126 HydrophobicContact CG2-CB 4.29Å; V32-I126 HydrophobicContact CG2-CD1 4.35Å; Y33-I126 PolarHBondContact N-O 3.48Å; I121-I126 HydrophobicContact CG1-CG1 4.46Å; I126-V128 HydrophobicContact CG2-CG2 3.8Å
127H89Confident91.5Very high37 Ų3741.9 Ų41.917%0.17121%0.206CC..EExtended strand (participates in β ladder)trans-102.3130.8168.2-172.169.4000109.2Y33 T119 L120Y33-H127 PolarHBondContact O-ND1 2.06Å; T119-H127 CarbonylContact C-O 3.51Å; T119-H127 VanDerWaalsContact CA-O 3.28Å; T119-H127 WeakPolarHBondContact CA-O 3.39Å; L120-H127 PolarHBondContact N-O 2.8Å; L120-H127 PolarHBondContact O-N 2.83Å
128V92Very high91.6Very high17 Ų1739.6 Ų39.610%0.10320%0.198CC..EExtended strand (participates in β ladder)trans-126.6115.7177.2-178.30000108.3V32 Y33 E34 T35 K117 C118 T119 I126V32-V128 HydrophobicContact CG1-CG2 3.92Å; Y33-V128 PolarHBondContact O-N 2.88Å; E34-V128 CarbonylContact C-O 3.53Å; E34-V128 VanDerWaalsContact CA-O 3.26Å; E34-V128 WeakPolarHBondContact CA-O 3.32Å; E34-V128 HydrophobicContact CG-CB 4.28Å; T35-V128 PolarHBondContact N-O 3.33Å; K117-V128 HydrophobicContact CB-CG1 4.42Å; K117-V128 HydrophobicContact CD-CG1 4.38Å; C118-V128 CarbonylContact O-C 3.53Å; C118-V128 WeakPolarHBondContact O-CA 3.1Å; T119-V128 HydrophobicContact CG2-CB 4.5Å; T119-V128 HydrophobicContact CG2-CG1 4.15Å; T119-V128 HydrophobicContact CG2-CG2 4.03Å; I126-V128 HydrophobicContact CG2-CG2 3.8Å
129H92.3Very high91.9Very high8 Ų839.8 Ų39.84%0.03720%0.2CC..EExtended strand (participates in β ladder)trans-108119.8171-175.769.8000109.3T35 S50 K117 C118T35-H129 WeakPolarHBondContact O-CA 3.39Å; T35-H129 PolarHBondContact OG1-ND1 3.46Å; S50-H129 PolarHBondContact O-CD2 2.91Å; K117-H129 CarbonylContact C-O 3.55Å; K117-H129 WeakPolarHBondContact CA-O 3.29Å; C118-H129 HydrophobicContact CB-CB 4.23Å; C118-H129 PolarHBondContact N-O 3.44Å; C118-H129 PolarHBondContact O-N 2.82Å
130T94.9Very high92.2Very high14 Ų1442.6 Ų42.69%0.08621%0.212CC..EExtended strand (participates in β ladder)trans-103.6119.1-178.9-56.30000110.4T35 N36 M37 E115 Y116 K117T35-T130 PolarHBondContact O-N 2.93Å; N36-T130 CarbonylContact C-O 3.54Å; N36-T130 WeakPolarHBondContact CA-O 3.4Å; M37-T130 PolarHBondContact N-O 2.93Å; E115-T130 HydrophobicContact CB-CG2 4.15Å; E115-T130 HydrophobicContact CG-CG2 4.31Å; Y116-T130 CarbonylContact O-C 3.53Å; Y116-T130 WeakPolarHBondContact O-CA 3.25Å; K117-T130 HydrophobicContact CG-CG2 4.04Å
131V95.7Very high92.6Very high1 Ų143 Ų431%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-103.5116173.7-175.40000108.9M37 I39 L49 W67 Y116 L133M37-V131 CarbonylContact O-C 3.57Å; M37-V131 WeakPolarHBondContact O-CA 3.19Å; I39-V131 HydrophobicContact CD1-CG1 3.96Å; I39-V131 HydrophobicContact CG1-CG1 3.88Å; I39-V131 HydrophobicContact CG2-CG1 4.28Å; L49-V131 HydrophobicContact CB-CG1 4.42Å; L49-V131 HydrophobicContact CB-CG2 4.43Å; L49-V131 HydrophobicContact CD2-CG1 4.06Å; W67-V131 HydrophobicContact CH2-CG2 3.99Å; W67-V131 HydrophobicContact CZ3-CG2 4.18Å; Y116-V131 PolarHBondContact N-O 3.17Å; Y116-V131 PolarHBondContact O-N 2.8Å; V131-L133 PolarHBondContact O-N 2.79Å
132S96.9Very high93.1Very high24 Ų2445.3 Ų45.317%0.16823%0.226CC..EExtended strand (participates in β ladder)trans-86.6106.4169.7-59.40000108.8M37 N38 I39M37-S132 PolarHBondContact O-N 2.76Å; N38-S132 WeakPolarHBondContact CA-O 3.16Å; N38-S132 WeakPolarHBondContact OD1-CB 3.43Å; N38-S132 PolarHBondContact OD1-OG 3.42Å; I39-S132 PolarHBondContact N-O 2.99Å
133L97.1Very high93.6Very high0 Ų049.6 Ų49.60%024%0.244CC..EExtended strand (participates in β ladder)trans-90.4115.4179.7173.162.7000109.5I39 V41 A47 L49 D112 E113 G114 Y116 V131 I135I39-L133 HydrophobicContact CD1-CD1 3.93Å; I39-L133 HydrophobicContact CG1-CD1 3.84Å; V41-L133 HydrophobicContact CB-CD1 4.09Å; V41-L133 HydrophobicContact CG2-CD1 3.71Å; A47-L133 HydrophobicContact CB-CD1 4.2Å; L49-L133 HydrophobicContact CD2-CD1 4.36Å; L49-L133 HydrophobicContact CD2-CD2 4.45Å; D112-L133 HydrophobicContact CB-CD2 4.26Å; E113-L133 WeakPolarHBondContact CA-O 3.28Å; E113-L133 WeakPolarHBondContact CG-O 2.96Å; G114-L133 PolarHBondContact N-O 2.97Å; G114-L133 PolarHBondContact O-N 3.14Å; Y116-L133 HydrophobicContact CD2-CB 4Å; Y116-L133 HydrophobicContact CD2-CD2 4.41Å; Y116-L133 HydrophobicContact CE2-CB 3.94Å; Y116-L133 HydrophobicContact CE2-CD2 3.72Å; Y116-L133 HydrophobicContact CE2-CG 4.45Å; V131-L133 PolarHBondContact O-N 2.79Å; L133-I135 HydrophobicContact CD1-CD1 3.85Å; L133-I135 HydrophobicContact CD2-CD1 4.07Å; L133-I135 HydrophobicContact CG-CD1 3.84Å
134N97Very high94.3Very high66 Ų6644 Ų4435%0.35323%0.226SC..EExtended strand (participates in β ladder)trans-103139.8169.8-64.4-10.6000110I39 S40 V41I39-N134 PolarHBondContact O-N 3.14Å; S40-N134 WeakPolarHBondContact CA-O 3.37Å; V41-N134 PolarHBondContact N-O 2.92Å
135I97.8Very high95Very high1 Ų139.1 Ų39.11%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-107.1105.4-177.9-58.3-59.7000110.5V41 N43 T108 L109 E113 L133 N166V41-I135 HydrophobicContact CB-CD1 4.48Å; V41-I135 CarbonylContact O-C 3.58Å; V41-I135 WeakPolarHBondContact O-CA 3.46Å; N43-I135 HydrophobicContact CB-CG2 3.85Å; T108-I135 HydrophobicContact CG2-CD1 4.16Å; L109-I135 WeakPolarHBondContact O-CG1 3.4Å; E113-I135 HydrophobicContact CB-CG1 4.29Å; L133-I135 HydrophobicContact CD1-CD1 3.85Å; L133-I135 HydrophobicContact CD2-CD1 4.07Å; L133-I135 HydrophobicContact CG-CD1 3.84Å; I135-N166 PolarHBondContact O-ND2 2.95Å
136S97.6Very high95.3Very high15 Ų1537.9 Ų37.911%0.10521%0.206CC..EExtended strand (participates in β ladder)trans-83.5136.4-179.373.70000111.6V41 K42 N43 N166V41-S136 PolarHBondContact O-N 3.08Å; V41-S136 PolarHBondContact O-OG 2.83Å; K42-S136 CarbonylContact C-O 3.53Å; K42-S136 WeakPolarHBondContact CA-O 3.15Å; K42-S136 WeakPolarHBondContact CA-OG 3.06Å; K42-S136 PolarHBondContact N-OG 2.05Å; N43-S136 PolarHBondContact N-O 3.42Å; S136-N166 CarbonylContact C-O 3.47Å; S136-N166 WeakPolarHBondContact CA-O 3.25Å
137I97.7Very high95.6Very high48 Ų4839.4 Ų39.425%0.24622%0.219CC..EExtended strand (participates in β ladder)trans-123.5125.3-177.9-57.4170.5000107.6N43 P110 N166 N230N43-I137 HydrophobicContact CB-CG1 3.92Å; P110-I137 HydrophobicContact CG-CD1 4.19Å; I137-N166 HydrophobicContact CB-CB 4.05Å; I137-N166 HydrophobicContact CD1-CB 4.16Å; I137-N166 HydrophobicContact CG1-CB 4.09Å; I137-N166 PolarHBondContact N-O 3.3Å; I137-N166 PolarHBondContact O-N 3.3Å; I137-N230 PolarHBondContact O-ND2 2.77Å
138P97.7Very high95.9Very high24 Ų2445.1 Ų45.116%0.15624%0.24CC..EExtended strand (participates in β ladder)trans-53.6151.6174.8-23.531.8000112.8K42 V232K42-P138 HydrophobicContact CD-CG 4.4Å; P138-V232 HydrophobicContact CB-CG1 4.44Å; P138-V232 HydrophobicContact CG-CG1 3.9Å
139P97.9Very high96Very high4 Ų445.9 Ų45.93%0.02624%0.243CC..EExtended strand (participates in β ladder)trans-66.7144.517831.1-35.2000111T164 P169 A228 N230 V232 P234 D236P139-T164 CarbonylContact C-O 3.54Å; P139-T164 VanDerWaalsContact CA-O 3.3Å; P139-T164 WeakPolarHBondContact CA-O 3.17Å; P139-P169 HydrophobicContact CB-CB 3.89Å; P139-P169 HydrophobicContact CB-CG 3.75Å; P139-A228 HydrophobicContact CB-CB 3.98Å; P139-A228 WeakPolarHBondContact CG-O 3.48Å; P139-N230 WeakPolarHBondContact CD-OD1 3.48Å; P139-V232 VanDerWaalsContact CD-O 3.25Å; P139-V232 WeakPolarHBondContact CD-O 3.15Å; P139-P234 WeakPolarHBondContact CD-O 3.37Å; P139-D236 WeakPolarHBondContact O-CB 3.36Å
140I97.8Very high96.1Very high92 Ų9253.2 Ų53.247%0.47228%0.275SS..EExtended strand (participates in β ladder)trans-135.8122174-59.9176.2000108.2I142 A163 T164I140-I142 HydrophobicContact CG2-CG2 4.47Å; I140-I142 PolarHBondContact O-N 2.89Å; I140-A163 CarbonylContact O-C 3.55Å; I140-A163 WeakPolarHBondContact O-CA 3.38Å; I140-A163 WeakPolarHBondContact O-CB 3.33Å; I140-T164 HydrophobicContact CB-CG2 4.33Å; I140-T164 PolarHBondContact N-O 3.31Å; I140-T164 PolarHBondContact O-N 3.14Å
141I97.9Very high96.2Very high10 Ų1053.9 Ų53.95%0.05128%0.279CS..EExtended strand (participates in β ladder)trans-76.3111.2174.7-64166.5000108.8K143 L162 A163 A228 D236 R238I141-K143 WeakPolarHBondContact CG2-O 3.46Å; I141-L162 CarbonylContact C-O 3.58Å; I141-L162 WeakPolarHBondContact CA-O 3.07Å; I141-A163 HydrophobicContact CG1-CB 4.13Å; I141-A228 HydrophobicContact CD1-CB 4.18Å; I141-A228 HydrophobicContact CG1-CB 3.75Å; I141-D236 WeakPolarHBondContact CB-OD2 3.42Å; I141-D236 HydrophobicContact CD1-CB 4.35Å; I141-D236 WeakPolarHBondContact CD1-O 3.41Å; I141-D236 HydrophobicContact CG1-CB 4.25Å; I141-D236 PolarHBondContact N-OD2 2.74Å; I141-R238 HydrophobicContact CB-CG 4.07Å; I141-R238 HydrophobicContact CD1-CB 4.18Å; I141-R238 HydrophobicContact CD1-CG 3.69Å; I141-R238 HydrophobicContact CG1-CG 4.48Å; I141-R238 HydrophobicContact CG2-CG 3.77Å; I141-R238 PolarHBondContact O-NH2 3.03Å
142I97.1Very high96.2Very high117 Ų11756.8 Ų56.860%0.630%0.295SS*.EExtended strand (participates in β ladder)trans-94.1-22.3-178.256.6169.5000112.9I140 L162 T164I140-I142 HydrophobicContact CG2-CG2 4.47Å; I140-I142 PolarHBondContact O-N 2.89Å; I142-L162 HydrophobicContact CG1-CB 4.19Å; I142-L162 WeakPolarHBondContact CG1-O 3.44Å; I142-L162 PolarHBondContact N-O 2.79Å; I142-T164 HydrophobicContact CG2-CG2 3.81Å
143K95.7Very high96.1Very high114 Ų11458.4 Ų58.450%0.49630%0.3SS..EExtended strand (participates in β ladder)trans-139.1127.6175.4-172-179.2-178.6-179.60108.5I141 C161 L162I141-K143 WeakPolarHBondContact CG2-O 3.46Å; K143-C161 CarbonylContact O-C 3.54Å; K143-C161 VanDerWaalsContact O-CA 3.28Å; K143-C161 WeakPolarHBondContact O-CA 3.22Å; K143-L162 HydrophobicContact CB-CB 3.94Å; K143-L162 HydrophobicContact CB-CD1 4.14Å; K143-L162 HydrophobicContact CB-CG 4.11Å; K143-L162 HydrophobicContact CD-CD1 3.69Å; K143-L162 HydrophobicContact CD-CG 4.2Å; K143-L162 PolarHBondContact N-O 3.03Å; K143-L162 VanDerWaalsContact N-O 3.16Å; K143-L162 PolarHBondContact O-N 2.8Å
144S94.7Very high96.1Very high50 Ų5060.1 Ų60.135%0.3532%0.318SS..  trans-138.3161.4171.565.30000109.5N160S144-N160 WeakPolarHBondContact CA-O 3.32Å
145P92.6Very high96.1Very high23 Ų2358.9 Ų58.915%0.14931%0.314CS..  trans-62.1164.7169.3-18.334000110.9L149 L159 N160 W173 V240P145-L149 HydrophobicContact CB-CD1 4.17Å; P145-L159 HydrophobicContact CB-CD2 3.95Å; P145-L159 HydrophobicContact CG-CB 3.88Å; P145-L159 HydrophobicContact CG-CD2 3.81Å; P145-L159 HydrophobicContact CG-CG 4.37Å; P145-N160 VanDerWaalsContact CD-O 3.25Å; P145-N160 WeakPolarHBondContact CD-O 3.39Å; P145-W173 HydrophobicContact CG-CH2 3.84Å; P145-W173 HydrophobicContact CG-CZ2 4.33Å; P145-V240 HydrophobicContact CB-CG2 4.1Å; P145-V240 HydrophobicContact CG-CG2 4.15Å
146V93.9Very high96Very high89 Ų8963 Ų6354%0.53934%0.343SS..  trans-61.8147.2171.7-65.30000110.1Y148 L149V146-Y148 PolarHBondContact O-N 2.84Å; V146-Y148 VanDerWaalsContact O-N 3.15Å; V146-L149 HydrophobicContact CG2-CD2 3.3Å; V146-L149 HydrophobicContact CG2-CG 3.93Å
147P94Very high95.9Very high74 Ų7463 Ų6348%0.48134%0.342SS..SBendtrans-62.2-26.3-174-25.534.5000114.3F241P147-F241 WeakPolarHBondContact O-CD2 3.4Å; P147-F241 PolarHBondContact O-N 3.18Å
148Y95.2Very high95.8Very high156 Ų15666.2 Ų66.261%0.61236%0.356SS*.EExtended strand (participates in β ladder)trans-127.1118-179-61.7-85.3000110.3V146 F241V146-Y148 PolarHBondContact O-N 2.84Å; V146-Y148 VanDerWaalsContact O-N 3.15Å; Y148-F241 HydrophobicContact CD1-CB 3.58Å; Y148-F241 AromaticContact CD1-CD2 3.99Å; Y148-F241 HydrophobicContact CD1-CD2 3.99Å; Y148-F241 AromaticContact CD1-CG 3.9Å; Y148-F241 HydrophobicContact CD1-CG 3.9Å; Y148-F241 HydrophobicContact CE1-CB 3.92Å; Y148-F241 HydrophobicContact CE1-CD1 4.32Å; Y148-F241 AromaticContact CE1-CD2 3.59Å; Y148-F241 HydrophobicContact CE1-CD2 3.59Å; Y148-F241 HydrophobicContact CE1-CE2 4.22Å; Y148-F241 AromaticContact CE1-CG 3.68Å; Y148-F241 HydrophobicContact CE1-CG 3.68Å; Y148-F241 HydrophobicContact CG-CB 4.45Å
149L94.8Very high95.7Very high33 Ų3365.2 Ų65.217%0.17335%0.349CS..EExtended strand (participates in β ladder)trans-116.7128.2-178.7-72172.7000110.6P145 V146 V151 L159 V240 F241 L242 S243P145-L149 HydrophobicContact CB-CD1 4.17Å; V146-L149 HydrophobicContact CG2-CD2 3.3Å; V146-L149 HydrophobicContact CG2-CG 3.93Å; L149-V151 HydrophobicContact CB-CG2 4.31Å; L149-L159 HydrophobicContact CD1-CD2 3.25Å; L149-V240 HydrophobicContact CD1-CG1 3.57Å; L149-V240 HydrophobicContact CG-CG1 4.15Å; L149-F241 PolarHBondContact N-O 2.86Å; L149-L242 HydrophobicContact CB-CD1 4.07Å; L149-S243 WeakPolarHBondContact O-CA 3.34Å; L149-S243 WeakPolarHBondContact O-CB 3.37Å; L149-S243 PolarHBondContact O-N 2.84Å
150K94.4Very high95.6Very high162 Ų16266.9 Ų66.970%0.70436%0.358SS*.EExtended strand (participates in β ladder)trans-112.7119.3172.8-65.2178-176.3175.30108.5S243K150-S243 WeakPolarHBondContact CA-O 2.96Å
151V96Very high95.6Very high28 Ų2862.5 Ų62.517%0.1734%0.335CS..EExtended strand (participates in β ladder)trans-142.3151.1-172.3-159.20000108.6L149 S155 L157 L216 L242 S243 V244 R245L149-V151 HydrophobicContact CB-CG2 4.31Å; V151-S155 VanDerWaalsContact CG1-OG 3.23Å; V151-S155 WeakPolarHBondContact CG1-OG 3.44Å; V151-L157 HydrophobicContact CG2-CD1 4.13Å; V151-L216 HydrophobicContact CB-CD1 3.61Å; V151-L216 HydrophobicContact CG1-CD1 3.5Å; V151-L216 VanDerWaalsContact CG1-CD1 3.5Å; V151-L216 HydrophobicContact CG2-CD1 4.42Å; V151-L242 HydrophobicContact CB-CD1 4.5Å; V151-L242 HydrophobicContact CG2-CD1 3.9Å; V151-S243 PolarHBondContact N-O 2.79Å; V151-V244 CarbonylContact O-C 3.4Å; V151-V244 WeakPolarHBondContact O-CA 3.1Å; V151-R245 PolarHBondContact O-N 2.96Å
152D96.3Very high95.5Very high62 Ų6265.4 Ų65.433%0.33235%0.35SS..EExtended strand (participates in β ladder)trans-89.8145.4-173.9-62.1-23.6000112.1G154 S155 R245D152-G154 PolarHBondContact O-N 3.27Å; D152-S155 WeakPolarHBondContact O-CB 3.41Å; D152-S155 PolarHBondContact O-N 2.82Å; D152-S155 PolarHBondContact O-OG 2.81Å; D152-R245 VanDerWaalsContact CG-NH2 3.32Å; D152-R245 IonicContact OD1-CZ 3.93Å; D152-R245 IonicContact OD1-NE 2.8Å; D152-R245 PolarHBondContact OD1-NE 3.41Å; D152-R245 IonicContact OD1-NH2 3.62Å; D152-R245 PolarHBondContact OD1-NH2 3.13Å; D152-R245 IonicContact OD2-NH2 3.58Å; D152-R245 PolarHBondContact OD2-NH2 2.83Å; D152-R245 VanDerWaalsContact OD2-NH2 3.15Å
153E95.7Very high95.5Very high58 Ų5861 Ų6127%0.27133%0.331SS..THydrogen-bonded Turntrans-57136.6174.9-175.5166.7-121.700110.6S155 R218 V244 R245 F246E153-S155 VanDerWaalsContact C-N 3.32Å; E153-S155 PolarHBondContact O-N 3.01Å; E153-R218 VanDerWaalsContact OE1-CB 3.25Å; E153-R218 WeakPolarHBondContact OE1-CB 3.35Å; E153-R218 WeakPolarHBondContact OE1-CG 3.38Å; E153-R218 IonicContact OE1-CZ 3.45Å; E153-R218 PolarHBondContact OE1-N 3.14Å; E153-R218 IonicContact OE1-NE 3.22Å; E153-R218 PolarHBondContact OE1-NE 2.94Å; E153-R218 IonicContact OE1-NH2 2.97Å; E153-R218 IonicContact OE2-CZ 3.39Å; E153-R218 IonicContact OE2-NE 2.79Å; E153-R218 PolarHBondContact OE2-NE 2.84Å; E153-R218 IonicContact OE2-NH2 3.17Å; E153-R218 PolarHBondContact OE2-NH2 2.81Å; E153-V244 HydrophobicContact CB-CG1 3.92Å; E153-R245 WeakPolarHBondContact CB-O 3.4Å; E153-R245 PolarHBondContact N-O 3.44Å; E153-F246 HydrophobicContact CB-CB 4.04Å; E153-F246 WeakPolarHBondContact OE2-CB 3.36Å
154G95.7Very high95.6Very high37 Ų3759.1 Ų59.138%0.38133%0.33SS..THydrogen-bonded Turntrans87.6-13.1-177.200000115.4D152 L216D152-G154 PolarHBondContact O-N 3.27Å; G154-L216 PolarHBondContact N-O 2.79Å
155S96.8Very high95.7Very high39 Ų3957.6 Ų57.627%0.27332%0.322SS..  trans-78.5163175.768.10000112.8V151 D152 E153 L216V151-S155 VanDerWaalsContact CG1-OG 3.23Å; V151-S155 WeakPolarHBondContact CG1-OG 3.44Å; D152-S155 WeakPolarHBondContact O-CB 3.41Å; D152-S155 PolarHBondContact O-N 2.82Å; D152-S155 PolarHBondContact O-OG 2.81Å; E153-S155 VanDerWaalsContact C-N 3.32Å; E153-S155 PolarHBondContact O-N 3.01Å; S155-L216 WeakPolarHBondContact O-CG 3.45Å; S155-L216 PolarHBondContact O-N 3.44Å
156S96Very high95.9Very high89 Ų8958.9 Ų58.962%0.62233%0.328SS*.  trans-86.6143.7171.757.70000111.4I213 G214S156-I213 CarbonylContact C-O 3.54Å; S156-I213 VanDerWaalsContact CA-O 3.3Å; S156-I213 WeakPolarHBondContact CA-O 2.96Å; S156-G214 WeakPolarHBondContact CA-O 3.36Å
157L95.8Very high96.1Very high15 Ų1557.7 Ų57.78%0.07932%0.322CS..EExtended strand (participates in β ladder)trans-122.4134.1177.2-179.164.3000110.9V151 L159 I212 I213 L216 L242V151-L157 HydrophobicContact CG2-CD1 4.13Å; L157-L159 HydrophobicContact CD1-CD2 3.89Å; L157-L159 HydrophobicContact CD1-CG 4.37Å; L157-L159 HydrophobicContact CD2-CD1 4.02Å; L157-L159 HydrophobicContact CD2-CD2 4.17Å; L157-L159 HydrophobicContact CD2-CG 3.97Å; L157-L159 HydrophobicContact CG-CD2 4.06Å; L157-L159 HydrophobicContact CG-CG 3.98Å; L157-I212 CarbonylContact O-C 3.5Å; L157-I212 WeakPolarHBondContact O-CA 2.9Å; L157-I213 HydrophobicContact CB-CB 4.29Å; L157-I213 HydrophobicContact CD2-CD1 4.34Å; L157-I213 PolarHBondContact N-O 3.18Å; L157-I213 PolarHBondContact O-N 3.27Å; L157-L216 HydrophobicContact CB-CD1 4.05Å; L157-L216 HydrophobicContact CB-CD2 3.95Å; L157-L216 HydrophobicContact CB-CG 4.05Å; L157-L216 HydrophobicContact CD2-CD2 3.97Å; L157-L242 HydrophobicContact CD2-CD1 3.84Å; L157-L242 HydrophobicContact CD2-CD2 3.79Å; L157-L242 HydrophobicContact CD2-CG 4.48Å
158E95.5Very high96.2Very high114 Ų11459.6 Ų59.653%0.53333%0.334SS..EExtended strand (participates in β ladder)trans-122.3120.8170.4-175.1-174.6136.500109.7N160 T210 L211 I212E158-N160 PolarHBondContact OE1-ND2 2.83Å; E158-T210 HydrophobicContact CG-CG2 3.94Å; E158-L211 CarbonylContact C-O 3.48Å; E158-L211 WeakPolarHBondContact CA-O 3.14Å; E158-I212 HydrophobicContact CG-CG1 4.26Å
159L96.4Very high96.3Very high3 Ų353.3 Ų53.32%0.01631%0.312CS..EExtended strand (participates in β ladder)trans-115118.2177.4-61.5-175.6000109.6P145 L149 L157 W173 T210 L211P145-L159 HydrophobicContact CB-CD2 3.95Å; P145-L159 HydrophobicContact CG-CB 3.88Å; P145-L159 HydrophobicContact CG-CD2 3.81Å; P145-L159 HydrophobicContact CG-CG 4.37Å; L149-L159 HydrophobicContact CD1-CD2 3.25Å; L157-L159 HydrophobicContact CD1-CD2 3.89Å; L157-L159 HydrophobicContact CD1-CG 4.37Å; L157-L159 HydrophobicContact CD2-CD1 4.02Å; L157-L159 HydrophobicContact CD2-CD2 4.17Å; L157-L159 HydrophobicContact CD2-CG 3.97Å; L157-L159 HydrophobicContact CG-CD2 4.06Å; L157-L159 HydrophobicContact CG-CG 3.98Å; L159-W173 HydrophobicContact CB-CH2 3.83Å; L159-W173 HydrophobicContact CB-CZ2 3.66Å; L159-W173 HydrophobicContact CD1-CH2 4.1Å; L159-W173 HydrophobicContact CD1-CZ3 4.13Å; L159-T210 CarbonylContact O-C 3.47Å; L159-T210 WeakPolarHBondContact O-CA 3.44Å; L159-L211 HydrophobicContact CB-CB 4.25Å; L159-L211 HydrophobicContact CB-CD2 4.44Å; L159-L211 HydrophobicContact CD1-CD2 4.02Å; L159-L211 PolarHBondContact N-O 3.01Å; L159-L211 PolarHBondContact O-N 3.43Å
160N95.7Very high96.4Very high40 Ų4057.7 Ų57.721%0.21433%0.332CS..EExtended strand (participates in β ladder)trans-104.5118.4-178.9-73.8-49.2000110.8S144 P145 E158 T210S144-N160 WeakPolarHBondContact CA-O 3.32Å; P145-N160 VanDerWaalsContact CD-O 3.25Å; P145-N160 WeakPolarHBondContact CD-O 3.39Å; E158-N160 PolarHBondContact OE1-ND2 2.83Å; N160-T210 WeakPolarHBondContact OD1-CB 3.46Å; N160-T210 WeakPolarHBondContact OD1-CG2 3.25Å; N160-T210 PolarHBondContact OD1-OG1 2.89Å
161C97.2Very high96.5Very high0 Ų050.5 Ų50.50%030%0.301CS..  trans-124113.3172.5-167.90000110.3K143 V171 W173 G209 C226K143-C161 CarbonylContact O-C 3.54Å; K143-C161 VanDerWaalsContact O-CA 3.28Å; K143-C161 WeakPolarHBondContact O-CA 3.22Å; C161-V171 HydrophobicContact CB-CG1 4.01Å; C161-W173 HydrophobicContact CB-CH2 4.3Å; C161-W173 HydrophobicContact CB-CZ2 3.56Å; C161-G209 PolarHBondContact N-O 3.43Å; C161-G209 WeakPolarHBondContact O-CA 3.38Å; C161-C226 HydrophobicContact CB-CB 3.79Å; C161-C226 WeakPolarHBondContact CB-SG 3.43Å; C161-C226 WeakPolarHBondContact SG-CB 3.3Å; C161-C226 CovalentContact SG-SG 2.02Å; C161-C226 PolarHBondContact SG-SG 2.98Å
162L96.9Very high96.4Very high70 Ų7051.2 Ų51.237%0.36631%0.306SS..EExtended strand (participates in β ladder)trans-114.2134.2-179.6-53177.7000109.6I141 I142 K143I141-L162 CarbonylContact C-O 3.58Å; I141-L162 WeakPolarHBondContact CA-O 3.07Å; I142-L162 HydrophobicContact CG1-CB 4.19Å; I142-L162 WeakPolarHBondContact CG1-O 3.44Å; I142-L162 PolarHBondContact N-O 2.79Å; K143-L162 HydrophobicContact CB-CB 3.94Å; K143-L162 HydrophobicContact CB-CD1 4.14Å; K143-L162 HydrophobicContact CB-CG 4.11Å; K143-L162 HydrophobicContact CD-CD1 3.69Å; K143-L162 HydrophobicContact CD-CG 4.2Å; K143-L162 PolarHBondContact N-O 3.03Å; K143-L162 VanDerWaalsContact N-O 3.16Å; K143-L162 PolarHBondContact O-N 2.8Å
163A97.4Very high96.4Very high24 Ų2448.7 Ų48.720%0.19829%0.291CS..EExtended strand (participates in β ladder)trans-129.5155178.800000111.5I140 I141 P169 V171 A228I140-A163 CarbonylContact O-C 3.55Å; I140-A163 WeakPolarHBondContact O-CA 3.38Å; I140-A163 WeakPolarHBondContact O-CB 3.33Å; I141-A163 HydrophobicContact CG1-CB 4.13Å; A163-P169 HydrophobicContact CB-CB 4.15Å; A163-P169 HydrophobicContact CB-CG 4.21Å; A163-V171 HydrophobicContact CB-CG2 4.01Å; A163-A228 HydrophobicContact CB-CB 3.42Å; A163-A228 VanDerWaalsContact CB-CB 3.42Å
164T97.4Very high96.3Very high76 Ų7649.7 Ų49.747%0.46630%0.295SS..EExtended strand (participates in β ladder)trans-123.6155.4173.9-169.80000109.9P139 I140 I142 P169P139-T164 CarbonylContact C-O 3.54Å; P139-T164 VanDerWaalsContact CA-O 3.3Å; P139-T164 WeakPolarHBondContact CA-O 3.17Å; I140-T164 HydrophobicContact CB-CG2 4.33Å; I140-T164 PolarHBondContact N-O 3.31Å; I140-T164 PolarHBondContact O-N 3.14Å; I142-T164 HydrophobicContact CG2-CG2 3.81Å; T164-P169 VanDerWaalsContact C-CG 3.47Å; T164-P169 WeakPolarHBondContact O-CG 3.43Å
165G96.8Very high96.1Very high17 Ų1747.9 Ų47.918%0.17528%0.277CS..EExtended strand (participates in β ladder)trans167.1170-177.100000110.4P167G165-P167 CarbonylContact C-O 3.52Å; G165-P167 CarbonylContact O-C 3.56Å
166N96.8Very high95.6Very high51 Ų5146.8 Ų46.827%0.27327%0.267SS..EExtended strand (participates in β ladder)trans-129.8115.3174.1-168.725000109.8I135 S136 I137 N230I135-N166 PolarHBondContact O-ND2 2.95Å; S136-N166 CarbonylContact C-O 3.47Å; S136-N166 WeakPolarHBondContact CA-O 3.25Å; I137-N166 HydrophobicContact CB-CB 4.05Å; I137-N166 HydrophobicContact CD1-CB 4.16Å; I137-N166 HydrophobicContact CG1-CB 4.09Å; I137-N166 PolarHBondContact N-O 3.3Å; I137-N166 PolarHBondContact O-N 3.3Å; N166-N230 PolarHBondContact N-ND2 2.65Å; N166-N230 PolarHBondContact O-ND2 2.76Å
167P96.4Very high94.4Very high64 Ų6444.6 Ų44.642%0.41625%0.252SS..SBendcis-61.4166.4-1.3-22.535.2000113.7G165 N230G165-P167 CarbonylContact C-O 3.52Å; G165-P167 CarbonylContact O-C 3.56Å; P167-N230 VanDerWaalsContact O-CB 3.24Å; P167-N230 WeakPolarHBondContact O-CB 3.36Å; P167-N230 PolarHBondContact O-ND2 3.41Å
168P96.7Very high92.9Very high113 Ų11347.8 Ų47.873%0.73427%0.269SS*.PPolyproline II helixtrans-52126.3175.6-27.835.8000111.9
169P97.1Very high90.9Very high24 Ų2443.2 Ų43.216%0.15625%0.249CC..PPolyproline II helixtrans-69.9139.7-178.2-17.730.3000113.3P139 A163 T164 A228 N230P139-P169 HydrophobicContact CB-CB 3.89Å; P139-P169 HydrophobicContact CB-CG 3.75Å; A163-P169 HydrophobicContact CB-CB 4.15Å; A163-P169 HydrophobicContact CB-CG 4.21Å; T164-P169 VanDerWaalsContact C-CG 3.47Å; T164-P169 WeakPolarHBondContact O-CG 3.43Å; P169-A228 HydrophobicContact CB-CB 4.34Å; P169-N230 HydrophobicContact CB-CB 4.32Å; P169-N230 HydrophobicContact CG-CB 4.44Å
170H96.3Very high88.6Confident126 Ų12647.7 Ų47.758%0.58327%0.272SS*.EExtended strand (participates in β ladder)trans-87.5124.7164.2-174.8-91.3000109.1T172 A229H170-T172 VanDerWaalsContact CE1-CG2 3.4Å; H170-T172 WeakPolarHBondContact CE1-CG2 3.38Å; H170-T172 VanDerWaalsContact ND1-CG2 3.34Å; H170-T172 WeakPolarHBondContact ND1-CG2 3.43Å; H170-A229 PolarHBondContact N-O 3.31Å; H170-A229 PolarHBondContact O-N 3.14Å
171V96.7Very high86.3Confident10 Ų1047.9 Ų47.96%0.06128%0.275CS..EExtended strand (participates in β ladder)trans-95131.6178-179.60000108.9C161 A163 H206 G209 C226 I227 A228C161-V171 HydrophobicContact CB-CG1 4.01Å; A163-V171 HydrophobicContact CB-CG2 4.01Å; V171-H206 PolarHBondContact O-CE1 2.8Å; V171-H206 PolarHBondContact O-NE2 3.02Å; V171-G209 VanDerWaalsContact CG1-CA 3.48Å; V171-C226 WeakPolarHBondContact CG1-SG 3.32Å; V171-I227 CarbonylContact C-O 3.57Å; V171-I227 WeakPolarHBondContact CA-O 3.18Å; V171-A228 HydrophobicContact CG2-CB 4.31Å
172T95.1Very high83.7Confident44 Ų4456.9 Ų56.927%0.2731%0.314SS..EExtended strand (participates in β ladder)trans-126.8153.3173.356.60000110H170 I227H170-T172 VanDerWaalsContact CE1-CG2 3.4Å; H170-T172 WeakPolarHBondContact CE1-CG2 3.38Å; H170-T172 VanDerWaalsContact ND1-CG2 3.34Å; H170-T172 WeakPolarHBondContact ND1-CG2 3.43Å; T172-I227 PolarHBondContact N-O 2.82Å; T172-I227 PolarHBondContact O-N 3.39Å
173W95.6Very high81.3Confident9 Ų959.3 Ų59.33%0.03433%0.327CS..EExtended strand (participates in β ladder)trans-112136.6170.9-70.884.3000110.9P145 L159 C161 I193 H206 G209 L211 F224 L225 C226 V240P145-W173 HydrophobicContact CG-CH2 3.84Å; P145-W173 HydrophobicContact CG-CZ2 4.33Å; L159-W173 HydrophobicContact CB-CH2 3.83Å; L159-W173 HydrophobicContact CB-CZ2 3.66Å; L159-W173 HydrophobicContact CD1-CH2 4.1Å; L159-W173 HydrophobicContact CD1-CZ3 4.13Å; C161-W173 HydrophobicContact CB-CH2 4.3Å; C161-W173 HydrophobicContact CB-CZ2 3.56Å; W173-I193 HydrophobicContact CB-CD1 3.22Å; W173-I193 HydrophobicContact CB-CG1 3.96Å; W173-I193 HydrophobicContact CG-CD1 4.07Å; W173-H206 AromaticContact CD1-CD2 3.32Å; W173-H206 AromaticContact CD1-NE2 3.4Å; W173-H206 AromaticContact NE1-CD2 3.95Å; W173-G209 PolarHBondContact NE1-O 3.17Å; W173-L211 HydrophobicContact CB-CD2 4.31Å; W173-L211 HydrophobicContact CD2-CB 4.31Å; W173-L211 HydrophobicContact CD2-CD2 3.94Å; W173-L211 HydrophobicContact CE3-CD2 4.29Å; W173-L211 HydrophobicContact CG-CB 4.14Å; W173-L211 HydrophobicContact CG-CD2 3.98Å; W173-F224 HydrophobicContact CE3-CB 4.13Å; W173-F224 HydrophobicContact CZ3-CB 4.11Å; W173-L225 CarbonylContact C-O 3.57Å; W173-L225 WeakPolarHBondContact CA-O 3.29Å; W173-C226 HydrophobicContact CD2-CB 4.15Å; W173-C226 HydrophobicContact CE3-CB 4Å; W173-C226 HydrophobicContact CH2-CB 3.84Å; W173-C226 HydrophobicContact CZ2-CB 4.04Å; W173-C226 HydrophobicContact CZ3-CB 3.82Å; W173-V240 HydrophobicContact CH2-CG2 4.17Å; W173-V240 HydrophobicContact CZ3-CG2 4.1Å
174K93.8Very high79.2Confident78 Ų7865.5 Ų65.534%0.33936%0.357SS..EExtended strand (participates in β ladder)trans-127.6162.4175-62.6-166.4-173.5174.70110.7L190 L191 F224 L225 I227K174-L190 HydrophobicContact CB-CB 4.18Å; K174-L190 HydrophobicContact CB-CD2 4.2Å; K174-L190 HydrophobicContact CD-CB 3.77Å; K174-L190 HydrophobicContact CD-CD1 4.3Å; K174-L191 CarbonylContact C-O 3.6Å; K174-L191 WeakPolarHBondContact CA-O 3.14Å; K174-L191 WeakPolarHBondContact CB-O 3.39Å; K174-F224 CarbonylContact O-C 3.56Å; K174-F224 WeakPolarHBondContact O-CA 3.36Å; K174-L225 PolarHBondContact N-O 2.83Å; K174-L225 PolarHBondContact O-N 2.89Å; K174-I227 HydrophobicContact CB-CD1 4.45Å; K174-I227 HydrophobicContact CD-CD1 3.66Å; K174-I227 HydrophobicContact CG-CD1 4Å
175V91.6Very high77Confident0 Ų070.7 Ų70.70%037%0.373CS..EExtended strand (participates in β ladder)trans-125.9139.6179.1-173.40000108.9S177 L191 I193 A196 F197 Q222 F224V175-S177 PolarHBondContact O-N 3.28Å; V175-L191 PolarHBondContact N-O 2.7Å; V175-L191 PolarHBondContact O-N 2.8Å; V175-I193 HydrophobicContact CG2-CG1 3.78Å; V175-A196 HydrophobicContact CB-CB 4.06Å; V175-A196 HydrophobicContact CG1-CB 4.45Å; V175-A196 HydrophobicContact CG2-CB 4.22Å; V175-F197 HydrophobicContact CG1-CZ 4.07Å; V175-F197 HydrophobicContact CG2-CE2 3.81Å; V175-F197 HydrophobicContact CG2-CZ 4.08Å; V175-Q222 HydrophobicContact CG1-CB 3.9Å; V175-F224 HydrophobicContact CG2-CD1 3.92Å; V175-F224 HydrophobicContact CG2-CE1 3.89Å; V175-F224 HydrophobicContact CG2-CZ 4.44Å
176F86.3Confident74.8Confident16 Ų1673.7 Ų73.77%0.0739%0.388CS..EExtended strand (participates in β ladder)trans-72.7122172.8-70-91.8000109.7N178 Q188 L190 R223 L225F176-N178 PolarHBondContact O-N 3.47Å; F176-N178 VanDerWaalsContact O-N 3.08Å; F176-Q188 HydrophobicContact CD1-CB 3.97Å; F176-Q188 VanDerWaalsContact CD1-OE1 3.31Å; F176-Q188 HydrophobicContact CE1-CB 4.3Å; F176-L190 HydrophobicContact CD1-CD2 3.83Å; F176-L190 HydrophobicContact CD2-CD2 4.12Å; F176-L190 HydrophobicContact CE1-CD2 3.75Å; F176-L190 HydrophobicContact CE2-CD2 4.08Å; F176-L190 HydrophobicContact CG-CD2 4.04Å; F176-L190 HydrophobicContact CZ-CD2 3.9Å; F176-R223 HydrophobicContact CB-CB 4.29Å; F176-R223 HydrophobicContact CD2-CB 3.44Å; F176-R223 VanDerWaalsContact CD2-CB 3.44Å; F176-R223 WeakPolarHBondContact CD2-O 3.27Å; F176-R223 HydrophobicContact CE2-CB 4.08Å; F176-R223 HydrophobicContact CG-CB 4.16Å; F176-R223 PolarHBondContact N-O 2.9Å; F176-R223 VanDerWaalsContact N-O 3.13Å; F176-L225 HydrophobicContact CE2-CB 4Å; F176-L225 HydrophobicContact CE2-CD1 4.48Å; F176-L225 HydrophobicContact CE2-CD2 4.47Å; F176-L225 HydrophobicContact CZ-CD2 4.3Å
177S71.8Confident72.9Confident43 Ų4378.9 Ų78.930%0.30142%0.416SS..SBendtrans-57.2-24.2-175.751.80000115V175 K189V175-S177 PolarHBondContact O-N 3.28Å; S177-K189 VanDerWaalsContact CB-O 3.25Å; S177-K189 WeakPolarHBondContact CB-O 3.33Å; S177-K189 PolarHBondContact N-O 3Å; S177-K189 PolarHBondContact OG-O 3.15Å
178N62.8Low71.3Confident82 Ų8279.6 Ų79.644%0.43941%0.414SS..  trans-147.5131.9178.9-109.45.7000112.3F176 L180F176-N178 PolarHBondContact O-N 3.47Å; F176-N178 VanDerWaalsContact O-N 3.08Å; N178-L180 VanDerWaalsContact C-N 3.26Å
179P53.9Low70.5Confident17 Ų1780.7 Ų80.711%0.1141%0.407CS..THydrogen-bonded Turntrans-79.2-10.9169.8-1.718.5000113V181 Q222 R223 N315P179-V181 PolarHBondContact O-N 3.48Å; P179-Q222 HydrophobicContact CG-CG 4.37Å; P179-R223 PolarHBondContact O-NH2 2.85Å; P179-N315 WeakPolarHBondContact CB-OD1 3.4Å; P179-N315 WeakPolarHBondContact CD-OD1 3.24Å; P179-N315 WeakPolarHBondContact CG-OD1 3.49Å
180L48.9Very low70Confident98 Ų9882.4 Ų82.451%0.51342%0.415SS..THydrogen-bonded Turntrans-76.2-11.6-171.6-80.8164.2000116.4N178 S313 N315N178-L180 VanDerWaalsContact C-N 3.26Å; L180-S313 WeakPolarHBondContact CD2-OG 3.45Å; L180-N315 WeakPolarHBondContact CD1-ND2 3.36Å; L180-N315 WeakPolarHBondContact CG-ND2 3.47Å
181V45.9Very low69.7Low44 Ų4478.5 Ų78.527%0.26740%0.398SS..  trans-122.397.9-173.3-165.50000110.6P179 D183 T186 Q188P179-V181 PolarHBondContact O-N 3.48Å; V181-D183 HydrophobicContact CG1-CB 3.51Å; V181-T186 WeakPolarHBondContact CG1-OG1 3.25Å; V181-Q188 PolarHBondContact O-NE2 3.3Å
182K44.1Very low69.5Low189 Ų18980.3 Ų80.382%0.82241%0.411SS*.  trans-90.513.7155.7-103.6-168.2-180-172.30111.1D184K182-D184 PolarHBondContact O-N 3.28Å
183D46.8Very low69.3Low120 Ų12078.4 Ų78.464%0.64240%0.399SS*.  trans-74.8121.3176.3-155.515.7000108.5V181 K185V181-D183 HydrophobicContact CG1-CB 3.51Å; D183-K185 PolarHBondContact O-N 3.27Å
184D53Low69Low155 Ų15583.1 Ų83.183%0.82942%0.417SS*.THydrogen-bonded Turntrans-66.212.3-159.7-165.238.8000114.6K182K182-D184 PolarHBondContact O-N 3.28Å
185K49.8Very low68.8Low184 Ų18484.5 Ų84.580%0.843%0.428SS*.THydrogen-bonded Turntrans-141.1-7.9-166.7-64.9-171.8179.9179.50117D183D183-K185 PolarHBondContact O-N 3.27Å
186T52Low68.7Low81 Ų8186 Ų8650%0.49744%0.44SS..SBendtrans-99.7118.7174.151.20000109.3V181 Q188V181-T186 WeakPolarHBondContact CG1-OG1 3.25Å; T186-Q188 PolarHBondContact O-N 2.72Å
187D55.4Low68.9Low160 Ų16085.5 Ų85.586%0.85644%0.438SS*.  trans-39.4100.5173.5-69-36.9000110.4K189D187-K189 PolarHBondContact O-N 2.92Å
188Q63.9Low69.6Low78 Ų7887.9 Ų87.936%0.36446%0.455SS..  trans-65.592.3172.9-77.2-177.70.100106.8F176 V181 T186 L190F176-Q188 HydrophobicContact CD1-CB 3.97Å; F176-Q188 VanDerWaalsContact CD1-OE1 3.31Å; F176-Q188 HydrophobicContact CE1-CB 4.3Å; V181-Q188 PolarHBondContact O-NE2 3.3Å; T186-Q188 PolarHBondContact O-N 2.72Å; Q188-L190 PolarHBondContact O-N 2.96Å
189K80.1Confident70.8Confident137 Ų13787.7 Ų87.760%0.59647%0.472SS*.  trans-62.4116.7-175.8-176.3176.2-178.5179.70108.7S177 D187 L191S177-K189 VanDerWaalsContact CB-O 3.25Å; S177-K189 WeakPolarHBondContact CB-O 3.33Å; S177-K189 PolarHBondContact N-O 3Å; S177-K189 PolarHBondContact OG-O 3.15Å; D187-K189 PolarHBondContact O-N 2.92Å; K189-L191 HydrophobicContact CD-CD2 4.11Å; K189-L191 HydrophobicContact CG-CD2 4.14Å
190L86.8Confident72.5Confident60 Ų6088.9 Ų88.931%0.31448%0.478SS..EExtended strand (participates in β ladder)trans-79124.5170.2-70.2169.5000108.7K174 F176 Q188 L225 I227K174-L190 HydrophobicContact CB-CB 4.18Å; K174-L190 HydrophobicContact CB-CD2 4.2Å; K174-L190 HydrophobicContact CD-CB 3.77Å; K174-L190 HydrophobicContact CD-CD1 4.3Å; F176-L190 HydrophobicContact CD1-CD2 3.83Å; F176-L190 HydrophobicContact CD2-CD2 4.12Å; F176-L190 HydrophobicContact CE1-CD2 3.75Å; F176-L190 HydrophobicContact CE2-CD2 4.08Å; F176-L190 HydrophobicContact CG-CD2 4.04Å; F176-L190 HydrophobicContact CZ-CD2 3.9Å; Q188-L190 PolarHBondContact O-N 2.96Å; L190-L225 HydrophobicContact CD1-CD2 3.68Å; L190-L225 HydrophobicContact CD2-CB 4.39Å; L190-L225 HydrophobicContact CD2-CD2 3.71Å; L190-L225 HydrophobicContact CG-CD2 4.37Å; L190-I227 HydrophobicContact CD1-CD1 4.46Å
191L90.3Very high74.4Confident44 Ų4487.7 Ų87.723%0.2349%0.489CS..EExtended strand (participates in β ladder)trans-104.1150.8176-62.1174.5000109.8K174 V175 K189 A196K174-L191 CarbonylContact C-O 3.6Å; K174-L191 WeakPolarHBondContact CA-O 3.14Å; K174-L191 WeakPolarHBondContact CB-O 3.39Å; V175-L191 PolarHBondContact N-O 2.7Å; V175-L191 PolarHBondContact O-N 2.8Å; K189-L191 HydrophobicContact CD-CD2 4.11Å; K189-L191 HydrophobicContact CG-CD2 4.14Å; L191-A196 HydrophobicContact CB-CB 4.22Å; L191-A196 HydrophobicContact CD1-CB 4.44Å
192S90.8Very high76.5Confident47 Ų4786.8 Ų86.833%0.32948%0.483SS..EExtended strand (participates in β ladder)trans-61.2147.8162.6-179.20000109.3Y194 D195 A196S192-Y194 PolarHBondContact O-N 3.32Å; S192-D195 WeakPolarHBondContact CB-OD2 3.24Å; S192-D195 PolarHBondContact O-N 3.03Å; S192-A196 WeakPolarHBondContact O-CB 3.31Å; S192-A196 PolarHBondContact O-N 2.99Å
193I91.3Very high78.8Confident4 Ų481.9 Ų81.92%0.02147%0.471CS..Hα-helixtrans-55.5-42.4175.9-70.2-174.3000111.5W173 V175 D195 A196 F197 I204 L211 F224W173-I193 HydrophobicContact CB-CD1 3.22Å; W173-I193 HydrophobicContact CB-CG1 3.96Å; W173-I193 HydrophobicContact CG-CD1 4.07Å; V175-I193 HydrophobicContact CG2-CG1 3.78Å; I193-D195 VanDerWaalsContact C-N 3.33Å; I193-D195 PolarHBondContact O-N 3.45Å; I193-A196 PolarHBondContact O-N 2.78Å; I193-F197 HydrophobicContact CG2-CD2 3.86Å; I193-F197 HydrophobicContact CG2-CE2 4.25Å; I193-F197 WeakPolarHBondContact O-CD2 3.22Å; I193-F197 PolarHBondContact O-N 3.47Å; I193-F197 VanDerWaalsContact O-N 3.11Å; I193-I204 HydrophobicContact CG2-CD1 4Å; I193-I204 HydrophobicContact CG2-CG2 3.61Å; I193-L211 HydrophobicContact CD1-CD1 3.46Å; I193-L211 VanDerWaalsContact CD1-CD1 3.46Å; I193-L211 HydrophobicContact CD1-CD2 3.19Å; I193-L211 HydrophobicContact CD1-CG 3.92Å; I193-L211 HydrophobicContact CG2-CD1 4.31Å; I193-F224 HydrophobicContact CD1-CD1 4.23Å; I193-F224 HydrophobicContact CD1-CE1 4.31Å
194Y90.2Very high81Confident109 Ų10977.4 Ų77.443%0.42745%0.447SS..Hα-helixtrans-62.2-43.7-179.8-63.2-73.6000111.1S192 F197 S198 I204 H206S192-Y194 PolarHBondContact O-N 3.32Å; Y194-F197 PolarHBondContact O-N 3.18Å; Y194-S198 VanDerWaalsContact O-CA 3.3Å; Y194-S198 WeakPolarHBondContact O-CA 3.5Å; Y194-S198 VanDerWaalsContact O-CB 3.22Å; Y194-S198 WeakPolarHBondContact O-CB 3.07Å; Y194-S198 PolarHBondContact O-N 3.43Å; Y194-I204 HydrophobicContact CD1-CB 4.42Å; Y194-I204 HydrophobicContact CD1-CG2 4.24Å; Y194-I204 HydrophobicContact CE1-CB 4.07Å; Y194-I204 HydrophobicContact CE1-CG2 3.79Å; Y194-I204 WeakPolarHBondContact CE1-O 3.48Å; Y194-H206 PolarHBondContact OH-N 3.28Å
195D89.9Confident82.8Confident106 Ų10674.4 Ų74.457%0.56743%0.431SS*.Hα-helixtrans-66.5-42.8178.9-58.8-25.3000111.2S192 I193 F197 S198S192-D195 WeakPolarHBondContact CB-OD2 3.24Å; S192-D195 PolarHBondContact O-N 3.03Å; I193-D195 VanDerWaalsContact C-N 3.33Å; I193-D195 PolarHBondContact O-N 3.45Å; D195-F197 VanDerWaalsContact C-N 3.27Å; D195-F197 PolarHBondContact O-N 2.96Å; D195-S198 PolarHBondContact O-OG 3.43Å
196A88.7Confident84.8Confident31 Ų3167.8 Ų67.826%0.25640%0.402SS..Hα-helixtrans-62.1-32.6-179.400000112.9V175 L191 S192 I193V175-A196 HydrophobicContact CB-CB 4.06Å; V175-A196 HydrophobicContact CG1-CB 4.45Å; V175-A196 HydrophobicContact CG2-CB 4.22Å; L191-A196 HydrophobicContact CB-CB 4.22Å; L191-A196 HydrophobicContact CD1-CB 4.44Å; S192-A196 WeakPolarHBondContact O-CB 3.31Å; S192-A196 PolarHBondContact O-N 2.99Å; I193-A196 PolarHBondContact O-N 2.78Å
197F90.2Very high86.6Confident6 Ų669.8 Ų69.83%0.02641%0.406CS..Hα-helixtrans-123.98.4-171.6-54.7-50.1000115.3V175 I193 Y194 D195 G199 L200 I204 M220 F224V175-F197 HydrophobicContact CG1-CZ 4.07Å; V175-F197 HydrophobicContact CG2-CE2 3.81Å; V175-F197 HydrophobicContact CG2-CZ 4.08Å; I193-F197 HydrophobicContact CG2-CD2 3.86Å; I193-F197 HydrophobicContact CG2-CE2 4.25Å; I193-F197 WeakPolarHBondContact O-CD2 3.22Å; I193-F197 PolarHBondContact O-N 3.47Å; I193-F197 VanDerWaalsContact O-N 3.11Å; Y194-F197 PolarHBondContact O-N 3.18Å; D195-F197 VanDerWaalsContact C-N 3.27Å; D195-F197 PolarHBondContact O-N 2.96Å; F197-G199 PolarHBondContact O-N 3.36Å; F197-G199 VanDerWaalsContact O-N 3.14Å; F197-L200 HydrophobicContact CB-CD1 4.09Å; F197-L200 HydrophobicContact CD1-CD1 3.79Å; F197-L200 HydrophobicContact CG-CD1 4.27Å; F197-L200 WeakPolarHBondContact O-CB 3.42Å; F197-L200 PolarHBondContact O-N 2.82Å; F197-I204 HydrophobicContact CB-CD1 3.81Å; F197-I204 HydrophobicContact CD2-CD1 4.2Å; F197-I204 HydrophobicContact CG-CD1 4.49Å; F197-M220 HydrophobicContact CB-CE 4.1Å; F197-M220 HydrophobicContact CD1-CE 4.4Å; F197-M220 HydrophobicContact CD1-CG 3.88Å; F197-M220 HydrophobicContact CD2-CE 4.15Å; F197-M220 HydrophobicContact CD2-CG 4.46Å; F197-M220 HydrophobicContact CE1-CB 4.14Å; F197-M220 HydrophobicContact CE1-CG 3.72Å; F197-M220 HydrophobicContact CE2-CG 4.31Å; F197-M220 HydrophobicContact CG-CE 3.95Å; F197-M220 HydrophobicContact CG-CG 4.26Å; F197-M220 HydrophobicContact CZ-CB 4.12Å; F197-M220 HydrophobicContact CZ-CG 3.95Å; F197-F224 AromaticContact CE2-CE1 3.8Å; F197-F224 HydrophobicContact CE2-CE1 3.8Å; F197-F224 AromaticContact CE2-CZ 3.68Å; F197-F224 HydrophobicContact CE2-CZ 3.68Å; F197-F224 HydrophobicContact CZ-CE1 4.3Å; F197-F224 AromaticContact CZ-CZ 3.77Å; F197-F224 HydrophobicContact CZ-CZ 3.77Å
198S87.4Confident88.1Confident94 Ų9468 Ų6866%0.65740%0.396SS*.G310 helixtrans-48.1-42179.552.70000113.6Y194 D195 L200Y194-S198 VanDerWaalsContact O-CA 3.3Å; Y194-S198 WeakPolarHBondContact O-CA 3.5Å; Y194-S198 VanDerWaalsContact O-CB 3.22Å; Y194-S198 WeakPolarHBondContact O-CB 3.07Å; Y194-S198 PolarHBondContact O-N 3.43Å; D195-S198 PolarHBondContact O-OG 3.43Å; S198-L200 VanDerWaalsContact C-N 3.28Å; S198-L200 PolarHBondContact O-N 3.11Å
199G87.7Confident89.5Confident77 Ų7764.3 Ų64.379%0.79438%0.379SS*.G310 helixtrans-76.2-1.2-179.800000116.1F197F197-G199 PolarHBondContact O-N 3.36Å; F197-G199 VanDerWaalsContact O-N 3.14Å
200L89.8Confident90.2Very high43 Ų4359.4 Ų59.423%0.22536%0.361CS..G310 helixtrans-93.3-14.1-179.2-58.5-178.3000113.6F197 S198 V202 H217 K219 M220F197-L200 HydrophobicContact CB-CD1 4.09Å; F197-L200 HydrophobicContact CD1-CD1 3.79Å; F197-L200 HydrophobicContact CG-CD1 4.27Å; F197-L200 WeakPolarHBondContact O-CB 3.42Å; F197-L200 PolarHBondContact O-N 2.82Å; S198-L200 VanDerWaalsContact C-N 3.28Å; S198-L200 PolarHBondContact O-N 3.11Å; L200-V202 HydrophobicContact CB-CG2 3.9Å; L200-V202 PolarHBondContact O-N 2.94Å; L200-H217 HydrophobicContact CD1-CB 4.2Å; L200-K219 HydrophobicContact CD1-CB 4.13Å; L200-K219 HydrophobicContact CD2-CB 4.23Å; L200-K219 HydrophobicContact CD2-CD 3.6Å; L200-M220 HydrophobicContact CD1-CE 3.99Å; L200-M220 HydrophobicContact CD1-CG 4.1Å
201G89.1Confident90.6Very high72 Ų7256.6 Ų56.674%0.74235%0.346SS*.THydrogen-bonded Turntrans62.626.1-177.600000113.9
202V90.2Very high90.9Very high25 Ų2557.9 Ų57.915%0.15235%0.352CS..  trans-90132.8-179.9177.10000109.7L200 I204 I213 K215 M220L200-V202 HydrophobicContact CB-CG2 3.9Å; L200-V202 PolarHBondContact O-N 2.94Å; V202-I204 HydrophobicContact CG1-CG1 4.38Å; V202-I204 PolarHBondContact O-N 2.84Å; V202-I213 HydrophobicContact CG1-CG2 3.51Å; V202-K215 HydrophobicContact CG1-CB 4.46Å; V202-K215 WeakPolarHBondContact CG1-O 3.48Å; V202-K215 WeakPolarHBondContact CG2-O 3.38Å; V202-M220 HydrophobicContact CB-CE 3.87Å; V202-M220 HydrophobicContact CG1-CE 3.88Å; V202-M220 HydrophobicContact CG2-CE 3.88Å
203P91.2Very high91.1Very high86 Ų8655.6 Ų55.656%0.55834%0.336SS*.  trans-65.8117.6172.727-33.9000109.7G214P203-G214 PolarHBondContact O-N 2.85Å
204I92.9Very high91.2Very high27 Ų2757 Ų5714%0.13835%0.352CS..EExtended strand (participates in β ladder)trans-121.6127.9177.8-66.4160.7000106.8I193 Y194 F197 V202 L211 I212 I213 M220I193-I204 HydrophobicContact CG2-CD1 4Å; I193-I204 HydrophobicContact CG2-CG2 3.61Å; Y194-I204 HydrophobicContact CD1-CB 4.42Å; Y194-I204 HydrophobicContact CD1-CG2 4.24Å; Y194-I204 HydrophobicContact CE1-CB 4.07Å; Y194-I204 HydrophobicContact CE1-CG2 3.79Å; Y194-I204 WeakPolarHBondContact CE1-O 3.48Å; F197-I204 HydrophobicContact CB-CD1 3.81Å; F197-I204 HydrophobicContact CD2-CD1 4.2Å; F197-I204 HydrophobicContact CG-CD1 4.49Å; V202-I204 HydrophobicContact CG1-CG1 4.38Å; V202-I204 PolarHBondContact O-N 2.84Å; I204-L211 HydrophobicContact CG2-CD1 3.94Å; I204-I212 WeakPolarHBondContact CA-O 3.3Å; I204-I213 HydrophobicContact CG1-CG1 4.46Å; I204-I213 HydrophobicContact CG1-CG2 4.44Å; I204-M220 HydrophobicContact CD1-CE 4.4Å
205N91.9Very high91.4Very high92 Ų9258 Ų5849%0.49236%0.359SS..EExtended strand (participates in β ladder)trans-127.7142.4173.1-170.71.3000109I212N205-I212 HydrophobicContact CB-CB 4.49Å; N205-I212 PolarHBondContact N-O 3.29Å; N205-I212 PolarHBondContact O-N 3.5Å
206H90.2Very high91.7Very high44 Ų4453.1 Ų53.120%0.20433%0.332CS..EExtended strand (participates in β ladder)trans-140.9118.1177.3171.2-100.1000110.5V171 W173 Y194 G209 T210 L211V171-H206 PolarHBondContact O-CE1 2.8Å; V171-H206 PolarHBondContact O-NE2 3.02Å; W173-H206 AromaticContact CD1-CD2 3.32Å; W173-H206 AromaticContact CD1-NE2 3.4Å; W173-H206 AromaticContact NE1-CD2 3.95Å; Y194-H206 PolarHBondContact OH-N 3.28Å; H206-G209 WeakPolarHBondContact NE2-CA 3.23Å; H206-T210 VanDerWaalsContact CA-O 3.29Å; H206-T210 WeakPolarHBondContact CA-O 3.49Å; H206-T210 PolarHBondContact CD2-O 3.22Å; H206-L211 HydrophobicContact CB-CD1 4.36Å
207H89.7Confident92Very high123 Ų12354.5 Ų54.557%0.56933%0.333SS*.EExtended strand (participates in β ladder)trans-142.4131.4-179.7-173.9-76.3000110.8G209 T210H207-G209 PolarHBondContact O-N 2.92Å; H207-G209 VanDerWaalsContact O-N 3.08Å; H207-T210 PolarHBondContact N-O 2.98Å; H207-T210 WeakPolarHBondContact O-CB 3.02Å; H207-T210 PolarHBondContact O-N 3.21Å
208N88Confident92Very high124 Ų12456 Ų5666%0.66334%0.339SS*.THydrogen-bonded Turntrans46.938.1177.7-66.9-2.7000114.6T210N208-T210 VanDerWaalsContact C-N 3.3Å; N208-T210 PolarHBondContact O-N 2.94Å
209G93Very high92.1Very high0 Ų057 Ų570%033%0.331CS..THydrogen-bonded Turntrans83.3-5.4-18000000115.7C161 V171 W173 H206 H207C161-G209 PolarHBondContact N-O 3.43Å; C161-G209 WeakPolarHBondContact O-CA 3.38Å; V171-G209 VanDerWaalsContact CG1-CA 3.48Å; W173-G209 PolarHBondContact NE1-O 3.17Å; H206-G209 WeakPolarHBondContact NE2-CA 3.23Å; H207-G209 PolarHBondContact O-N 2.92Å; H207-G209 VanDerWaalsContact O-N 3.08Å
210T94.7Very high92.3Very high34 Ų3453.3 Ų53.321%0.20929%0.293CS..EExtended strand (participates in β ladder)trans-86.2121.3168.5-60.80000109.8E158 L159 N160 H206 H207 N208 I212E158-T210 HydrophobicContact CG-CG2 3.94Å; L159-T210 CarbonylContact O-C 3.47Å; L159-T210 WeakPolarHBondContact O-CA 3.44Å; N160-T210 WeakPolarHBondContact OD1-CB 3.46Å; N160-T210 WeakPolarHBondContact OD1-CG2 3.25Å; N160-T210 PolarHBondContact OD1-OG1 2.89Å; H206-T210 VanDerWaalsContact CA-O 3.29Å; H206-T210 WeakPolarHBondContact CA-O 3.49Å; H206-T210 PolarHBondContact CD2-O 3.22Å; H207-T210 PolarHBondContact N-O 2.98Å; H207-T210 WeakPolarHBondContact O-CB 3.02Å; H207-T210 PolarHBondContact O-N 3.21Å; N208-T210 VanDerWaalsContact C-N 3.3Å; N208-T210 PolarHBondContact O-N 2.94Å; T210-I212 HydrophobicContact CG2-CD1 4.32Å; T210-I212 HydrophobicContact CG2-CG1 3.99Å
211L95.9Very high92.3Very high0 Ų051.5 Ų51.50%028%0.284CS..EExtended strand (participates in β ladder)trans-108124.2175.3166.768.7000109.6E158 L159 W173 I193 I204 H206 I213 F224E158-L211 CarbonylContact C-O 3.48Å; E158-L211 WeakPolarHBondContact CA-O 3.14Å; L159-L211 HydrophobicContact CB-CB 4.25Å; L159-L211 HydrophobicContact CB-CD2 4.44Å; L159-L211 HydrophobicContact CD1-CD2 4.02Å; L159-L211 PolarHBondContact N-O 3.01Å; L159-L211 PolarHBondContact O-N 3.43Å; W173-L211 HydrophobicContact CB-CD2 4.31Å; W173-L211 HydrophobicContact CD2-CB 4.31Å; W173-L211 HydrophobicContact CD2-CD2 3.94Å; W173-L211 HydrophobicContact CE3-CD2 4.29Å; W173-L211 HydrophobicContact CG-CB 4.14Å; W173-L211 HydrophobicContact CG-CD2 3.98Å; I193-L211 HydrophobicContact CD1-CD1 3.46Å; I193-L211 VanDerWaalsContact CD1-CD1 3.46Å; I193-L211 HydrophobicContact CD1-CD2 3.19Å; I193-L211 HydrophobicContact CD1-CG 3.92Å; I193-L211 HydrophobicContact CG2-CD1 4.31Å; I204-L211 HydrophobicContact CG2-CD1 3.94Å; H206-L211 HydrophobicContact CB-CD1 4.36Å; L211-I213 HydrophobicContact CD1-CG1 4.37Å; L211-I213 HydrophobicContact CG-CG1 4.36Å; L211-F224 HydrophobicContact CD2-CD1 4.25Å; L211-F224 HydrophobicContact CD2-CE1 4.41Å
212I95.2Very high92.3Very high71 Ų7149.7 Ų49.736%0.36426%0.256SS..EExtended strand (participates in β ladder)trans-117.9124.9179.8-57.2171.9000108.5L157 E158 I204 N205 T210L157-I212 CarbonylContact O-C 3.5Å; L157-I212 WeakPolarHBondContact O-CA 2.9Å; E158-I212 HydrophobicContact CG-CG1 4.26Å; I204-I212 WeakPolarHBondContact CA-O 3.3Å; N205-I212 HydrophobicContact CB-CB 4.49Å; N205-I212 PolarHBondContact N-O 3.29Å; N205-I212 PolarHBondContact O-N 3.5Å; T210-I212 HydrophobicContact CG2-CD1 4.32Å; T210-I212 HydrophobicContact CG2-CG1 3.99Å
213I95.6Very high92.4Very high0 Ų050 Ų500%026%0.255CS..EExtended strand (participates in β ladder)trans-117.1113.3173.4-53-178.5000107.3S156 L157 V202 I204 L211 K215 L216 M220 F224S156-I213 CarbonylContact C-O 3.54Å; S156-I213 VanDerWaalsContact CA-O 3.3Å; S156-I213 WeakPolarHBondContact CA-O 2.96Å; L157-I213 HydrophobicContact CB-CB 4.29Å; L157-I213 HydrophobicContact CD2-CD1 4.34Å; L157-I213 PolarHBondContact N-O 3.18Å; L157-I213 PolarHBondContact O-N 3.27Å; V202-I213 HydrophobicContact CG1-CG2 3.51Å; I204-I213 HydrophobicContact CG1-CG1 4.46Å; I204-I213 HydrophobicContact CG1-CG2 4.44Å; L211-I213 HydrophobicContact CD1-CG1 4.37Å; L211-I213 HydrophobicContact CG-CG1 4.36Å; I213-K215 PolarHBondContact O-N 2.84Å; I213-L216 HydrophobicContact CB-CD2 4.37Å; I213-L216 HydrophobicContact CD1-CD2 4.28Å; I213-L216 HydrophobicContact CG2-CD2 4.07Å; I213-M220 HydrophobicContact CD1-SD 4.31Å; I213-M220 HydrophobicContact CG2-CE 3.9Å; I213-M220 HydrophobicContact CG2-SD 3.91Å; I213-F224 HydrophobicContact CD1-CE1 4.33Å; I213-F224 HydrophobicContact CD1-CZ 4.49Å
214G94.1Very high92.5Very high34 Ų3445.9 Ų45.935%0.35123%0.228SC..SBendtrans-72.1-31.2-172.100000114.3S156 P203S156-G214 WeakPolarHBondContact CA-O 3.36Å; P203-G214 PolarHBondContact O-N 2.85Å
215K94.8Very high92.5Very high130 Ų13044.7 Ų44.757%0.56522%0.222SC*.SBendtrans-142104.1178.9-169.5178.2-176.2176.50111.2V202 I213V202-K215 HydrophobicContact CG1-CB 4.46Å; V202-K215 WeakPolarHBondContact CG1-O 3.48Å; V202-K215 WeakPolarHBondContact CG2-O 3.38Å; I213-K215 PolarHBondContact O-N 2.84Å
216L95.4Very high92.8Very high2 Ų240.3 Ų40.31%0.0120%0.199CC..  trans-63.1140.3177.2-74.5179.4000111.6V151 G154 S155 L157 I213 M220 L242 V244V151-L216 HydrophobicContact CB-CD1 3.61Å; V151-L216 HydrophobicContact CG1-CD1 3.5Å; V151-L216 VanDerWaalsContact CG1-CD1 3.5Å; V151-L216 HydrophobicContact CG2-CD1 4.42Å; G154-L216 PolarHBondContact N-O 2.79Å; S155-L216 WeakPolarHBondContact O-CG 3.45Å; S155-L216 PolarHBondContact O-N 3.44Å; L157-L216 HydrophobicContact CB-CD1 4.05Å; L157-L216 HydrophobicContact CB-CD2 3.95Å; L157-L216 HydrophobicContact CB-CG 4.05Å; L157-L216 HydrophobicContact CD2-CD2 3.97Å; I213-L216 HydrophobicContact CB-CD2 4.37Å; I213-L216 HydrophobicContact CD1-CD2 4.28Å; I213-L216 HydrophobicContact CG2-CD2 4.07Å; L216-M220 HydrophobicContact CD2-SD 3.88Å; L216-L242 HydrophobicContact CD2-CD2 3.96Å; L216-V244 HydrophobicContact CB-CG1 4.2Å; L216-V244 HydrophobicContact CB-CG2 4.5Å; L216-V244 HydrophobicContact CD1-CG2 4.37Å; L216-V244 HydrophobicContact CD2-CG2 4.45Å
217H94.1Very high93Very high61 Ų6139.1 Ų39.128%0.28219%0.193SC..  trans-123.9143.4175.2-174.4-85000109L200 K219 M220L200-H217 HydrophobicContact CD1-CB 4.2Å; H217-K219 WeakPolarHBondContact ND1-CB 3.44Å; H217-K219 PolarHBondContact ND1-N 3.19Å; H217-K219 VanDerWaalsContact ND1-N 3.14Å; H217-K219 PolarHBondContact O-N 2.61Å; H217-M220 VanDerWaalsContact O-CB 3.24Å; H217-M220 WeakPolarHBondContact O-CB 3.2Å; H217-M220 WeakPolarHBondContact O-CG 3.47Å; H217-M220 PolarHBondContact O-N 3.15Å
218R91.8Very high93.4Very high36 Ų3633.2 Ų33.214%0.13617%0.166CC..G310 helixtrans-55.6-23.8-178.265.8-174.674.4168.2-1.1115.3E153 M220 N221 F246 E249 L317E153-R218 VanDerWaalsContact OE1-CB 3.25Å; E153-R218 WeakPolarHBondContact OE1-CB 3.35Å; E153-R218 WeakPolarHBondContact OE1-CG 3.38Å; E153-R218 IonicContact OE1-CZ 3.45Å; E153-R218 PolarHBondContact OE1-N 3.14Å; E153-R218 IonicContact OE1-NE 3.22Å; E153-R218 PolarHBondContact OE1-NE 2.94Å; E153-R218 IonicContact OE1-NH2 2.97Å; E153-R218 IonicContact OE2-CZ 3.39Å; E153-R218 IonicContact OE2-NE 2.79Å; E153-R218 PolarHBondContact OE2-NE 2.84Å; E153-R218 IonicContact OE2-NH2 3.17Å; E153-R218 PolarHBondContact OE2-NH2 2.81Å; R218-M220 PolarHBondContact O-N 2.71Å; R218-N221 VanDerWaalsContact O-CB 3.31Å; R218-N221 WeakPolarHBondContact O-CB 3.49Å; R218-N221 PolarHBondContact O-N 3.49Å; R218-N221 PolarHBondContact O-ND2 3.35Å; R218-F246 HydrophobicContact CB-CD1 3.5Å; R218-F246 VanDerWaalsContact CB-CD1 3.5Å; R218-F246 HydrophobicContact CB-CE1 3.59Å; R218-F246 HydrophobicContact CB-CG 4.25Å; R218-F246 HydrophobicContact CB-CZ 4.4Å; R218-F246 HydrophobicContact CG-CE1 4.44Å; R218-E249 IonicContact CZ-OE1 2.71Å; R218-E249 VanDerWaalsContact CZ-OE1 3.22Å; R218-E249 IonicContact NH1-OE1 2.73Å; R218-E249 PolarHBondContact NH1-OE1 2.91Å; R218-E249 IonicContact NH1-OE2 3.15Å; R218-E249 PolarHBondContact NH1-OE2 2.67Å; R218-E249 IonicContact NH2-OE1 3.1Å; R218-E249 PolarHBondContact NH2-OE1 2.8Å; R218-L317 HydrophobicContact CG-CD2 4.01Å
219K89.6Confident93.9Very high115 Ų11529 Ų2950%0.515%0.148SC..G310 helixtrans-65.9-15.7173.2-71.6174.3176.8179.20113.6L200 H217 N221 L317L200-K219 HydrophobicContact CD1-CB 4.13Å; L200-K219 HydrophobicContact CD2-CB 4.23Å; L200-K219 HydrophobicContact CD2-CD 3.6Å; H217-K219 WeakPolarHBondContact ND1-CB 3.44Å; H217-K219 PolarHBondContact ND1-N 3.19Å; H217-K219 VanDerWaalsContact ND1-N 3.14Å; H217-K219 PolarHBondContact O-N 2.61Å; K219-N221 VanDerWaalsContact C-N 3.27Å; K219-N221 PolarHBondContact O-N 3.19Å; K219-L317 HydrophobicContact CG-CD2 3.7Å
220M91.2Very high94Very high0 Ų030.1 Ų30.10%015%0.154CC..G310 helixtrans-84.14.2174.9-59.8174.1163.900113.2F197 L200 V202 I204 I213 L216 H217 R218 Q222 L242 V244F197-M220 HydrophobicContact CB-CE 4.1Å; F197-M220 HydrophobicContact CD1-CE 4.4Å; F197-M220 HydrophobicContact CD1-CG 3.88Å; F197-M220 HydrophobicContact CD2-CE 4.15Å; F197-M220 HydrophobicContact CD2-CG 4.46Å; F197-M220 HydrophobicContact CE1-CB 4.14Å; F197-M220 HydrophobicContact CE1-CG 3.72Å; F197-M220 HydrophobicContact CE2-CG 4.31Å; F197-M220 HydrophobicContact CG-CE 3.95Å; F197-M220 HydrophobicContact CG-CG 4.26Å; F197-M220 HydrophobicContact CZ-CB 4.12Å; F197-M220 HydrophobicContact CZ-CG 3.95Å; L200-M220 HydrophobicContact CD1-CE 3.99Å; L200-M220 HydrophobicContact CD1-CG 4.1Å; V202-M220 HydrophobicContact CB-CE 3.87Å; V202-M220 HydrophobicContact CG1-CE 3.88Å; V202-M220 HydrophobicContact CG2-CE 3.88Å; I204-M220 HydrophobicContact CD1-CE 4.4Å; I213-M220 HydrophobicContact CD1-SD 4.31Å; I213-M220 HydrophobicContact CG2-CE 3.9Å; I213-M220 HydrophobicContact CG2-SD 3.91Å; L216-M220 HydrophobicContact CD2-SD 3.88Å; H217-M220 VanDerWaalsContact O-CB 3.24Å; H217-M220 WeakPolarHBondContact O-CB 3.2Å; H217-M220 WeakPolarHBondContact O-CG 3.47Å; H217-M220 PolarHBondContact O-N 3.15Å; R218-M220 PolarHBondContact O-N 2.71Å; M220-Q222 PolarHBondContact O-N 3.42Å; M220-L242 HydrophobicContact CB-CD2 4.35Å; M220-V244 HydrophobicContact CB-CG2 4.38Å
221N90.2Very high94.1Very high6 Ų631.9 Ų31.93%0.03218%0.179CC..  trans-6577.1171.6-89.1-58.6000111.6R218 K219 L242 S243 V244 S316R218-N221 VanDerWaalsContact O-CB 3.31Å; R218-N221 WeakPolarHBondContact O-CB 3.49Å; R218-N221 PolarHBondContact O-N 3.49Å; R218-N221 PolarHBondContact O-ND2 3.35Å; K219-N221 VanDerWaalsContact C-N 3.27Å; K219-N221 PolarHBondContact O-N 3.19Å; N221-L242 WeakPolarHBondContact CA-O 3.18Å; N221-L242 PolarHBondContact OD1-O 2.86Å; N221-S243 VanDerWaalsContact OD1-C 3.31Å; N221-S243 WeakPolarHBondContact OD1-CA 3.37Å; N221-V244 PolarHBondContact ND2-O 3.1Å; N221-V244 PolarHBondContact OD1-N 2.79Å; N221-V244 PolarHBondContact OD1-O 2.91Å; N221-S316 WeakPolarHBondContact ND2-CB 3.32Å; N221-S316 PolarHBondContact ND2-OG 3.42Å
222Q89.2Confident94.1Very high34 Ų3432.7 Ų32.716%0.15918%0.184CC..SBendtrans-146.6174.4-170.1-68-172.5-37.900110.9V175 P179 M220 L242V175-Q222 HydrophobicContact CG1-CB 3.9Å; P179-Q222 HydrophobicContact CG-CG 4.37Å; M220-Q222 PolarHBondContact O-N 3.42Å; Q222-L242 PolarHBondContact O-N 3.13Å; Q222-L242 VanDerWaalsContact O-N 3.1Å
223R91.3Very high94.1Very high31 Ų3134.8 Ų34.812%0.11719%0.192CC..EExtended strand (participates in β ladder)trans-90.3125.4174.1-56.5179.5-139.5151.49.6108.5F176 P179 F241F176-R223 HydrophobicContact CB-CB 4.29Å; F176-R223 HydrophobicContact CD2-CB 3.44Å; F176-R223 VanDerWaalsContact CD2-CB 3.44Å; F176-R223 WeakPolarHBondContact CD2-O 3.27Å; F176-R223 HydrophobicContact CE2-CB 4.08Å; F176-R223 HydrophobicContact CG-CB 4.16Å; F176-R223 PolarHBondContact N-O 2.9Å; F176-R223 VanDerWaalsContact N-O 3.13Å; P179-R223 PolarHBondContact O-NH2 2.85Å; R223-F241 VanDerWaalsContact CD-CE1 3.45Å; R223-F241 HydrophobicContact CG-CD1 3.66Å; R223-F241 HydrophobicContact CG-CE1 3.53Å; R223-F241 HydrophobicContact CG-CZ 4.38Å
224F93Very high94.1Very high0 Ų038.7 Ų38.70%022%0.218CC..EExtended strand (participates in β ladder)trans-101.8145.2173.8-70.3-108000108.6W173 K174 V175 I193 F197 L211 I213 E239 V240 L242W173-F224 HydrophobicContact CE3-CB 4.13Å; W173-F224 HydrophobicContact CZ3-CB 4.11Å; K174-F224 CarbonylContact O-C 3.56Å; K174-F224 WeakPolarHBondContact O-CA 3.36Å; V175-F224 HydrophobicContact CG2-CD1 3.92Å; V175-F224 HydrophobicContact CG2-CE1 3.89Å; V175-F224 HydrophobicContact CG2-CZ 4.44Å; I193-F224 HydrophobicContact CD1-CD1 4.23Å; I193-F224 HydrophobicContact CD1-CE1 4.31Å; F197-F224 AromaticContact CE2-CE1 3.8Å; F197-F224 HydrophobicContact CE2-CE1 3.8Å; F197-F224 AromaticContact CE2-CZ 3.68Å; F197-F224 HydrophobicContact CE2-CZ 3.68Å; F197-F224 HydrophobicContact CZ-CE1 4.3Å; F197-F224 AromaticContact CZ-CZ 3.77Å; F197-F224 HydrophobicContact CZ-CZ 3.77Å; L211-F224 HydrophobicContact CD2-CD1 4.25Å; L211-F224 HydrophobicContact CD2-CE1 4.41Å; I213-F224 HydrophobicContact CD1-CE1 4.33Å; I213-F224 HydrophobicContact CD1-CZ 4.49Å; F224-E239 CarbonylContact O-C 3.5Å; F224-E239 WeakPolarHBondContact O-CA 3.39Å; F224-V240 HydrophobicContact CB-CB 4.27Å; F224-V240 PolarHBondContact N-O 3.08Å; F224-V240 PolarHBondContact O-N 3.36Å; F224-L242 HydrophobicContact CD2-CB 3.88Å; F224-L242 HydrophobicContact CD2-CD2 4.46Å; F224-L242 HydrophobicContact CE2-CB 3.7Å; F224-L242 HydrophobicContact CE2-CD2 3.62Å; F224-L242 HydrophobicContact CE2-CG 4.32Å; F224-L242 HydrophobicContact CZ-CD2 3.95Å
225L94.7Very high94.2Very high2 Ų240 Ų401%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-127.1114.4179.6-172.868.9000108.3W173 K174 F176 L190 I227 Q237 E239W173-L225 CarbonylContact C-O 3.57Å; W173-L225 WeakPolarHBondContact CA-O 3.29Å; K174-L225 PolarHBondContact N-O 2.83Å; K174-L225 PolarHBondContact O-N 2.89Å; F176-L225 HydrophobicContact CE2-CB 4Å; F176-L225 HydrophobicContact CE2-CD1 4.48Å; F176-L225 HydrophobicContact CE2-CD2 4.47Å; F176-L225 HydrophobicContact CZ-CD2 4.3Å; L190-L225 HydrophobicContact CD1-CD2 3.68Å; L190-L225 HydrophobicContact CD2-CB 4.39Å; L190-L225 HydrophobicContact CD2-CD2 3.71Å; L190-L225 HydrophobicContact CG-CD2 4.37Å; L225-I227 HydrophobicContact CD2-CD1 3.82Å; L225-I227 HydrophobicContact CD2-CG1 3.81Å; L225-I227 HydrophobicContact CG-CD1 4.32Å; L225-I227 HydrophobicContact CG-CG1 3.81Å; L225-Q237 HydrophobicContact CD1-CB 3.96Å; L225-Q237 HydrophobicContact CD1-CG 4.24Å; L225-Q237 HydrophobicContact CG-CB 4.41Å; L225-E239 HydrophobicContact CD1-CG 3.55Å
226C96.4Very high94.4Very high0 Ų035.3 Ų35.30%020%0.198CC..EExtended strand (participates in β ladder)trans-81128.8163.9173.30000108.4C161 V171 W173 Q237 R238C161-C226 HydrophobicContact CB-CB 3.79Å; C161-C226 WeakPolarHBondContact CB-SG 3.43Å; C161-C226 WeakPolarHBondContact SG-CB 3.3Å; C161-C226 CovalentContact SG-SG 2.02Å; C161-C226 PolarHBondContact SG-SG 2.98Å; V171-C226 WeakPolarHBondContact CG1-SG 3.32Å; W173-C226 HydrophobicContact CD2-CB 4.15Å; W173-C226 HydrophobicContact CE3-CB 4Å; W173-C226 HydrophobicContact CH2-CB 3.84Å; W173-C226 HydrophobicContact CZ2-CB 4.04Å; W173-C226 HydrophobicContact CZ3-CB 3.82Å; C226-Q237 CarbonylContact O-C 3.53Å; C226-Q237 WeakPolarHBondContact O-CA 3.38Å; C226-Q237 WeakPolarHBondContact O-CB 3.18Å; C226-R238 PolarHBondContact N-O 3.44Å; C226-R238 PolarHBondContact O-N 3.13Å
227I96.2Very high94.4Very high18 Ų1840.1 Ų40.19%0.09222%0.22CC..EExtended strand (participates in β ladder)trans-122.8123.4177.3-53.7173.5000108.2V171 T172 K174 L190 L225 Q237V171-I227 CarbonylContact C-O 3.57Å; V171-I227 WeakPolarHBondContact CA-O 3.18Å; T172-I227 PolarHBondContact N-O 2.82Å; T172-I227 PolarHBondContact O-N 3.39Å; K174-I227 HydrophobicContact CB-CD1 4.45Å; K174-I227 HydrophobicContact CD-CD1 3.66Å; K174-I227 HydrophobicContact CG-CD1 4Å; L190-I227 HydrophobicContact CD1-CD1 4.46Å; L225-I227 HydrophobicContact CD2-CD1 3.82Å; L225-I227 HydrophobicContact CD2-CG1 3.81Å; L225-I227 HydrophobicContact CG-CD1 4.32Å; L225-I227 HydrophobicContact CG-CG1 3.81Å; I227-Q237 HydrophobicContact CG1-CB 4.46Å
228A97.8Very high94.5Very high0 Ų041.2 Ų41.20%022%0.222CC..EExtended strand (participates in β ladder)trans-104.6122.5171.500000109.4P139 I141 A163 P169 V171 D236P139-A228 HydrophobicContact CB-CB 3.98Å; P139-A228 WeakPolarHBondContact CG-O 3.48Å; I141-A228 HydrophobicContact CD1-CB 4.18Å; I141-A228 HydrophobicContact CG1-CB 3.75Å; A163-A228 HydrophobicContact CB-CB 3.42Å; A163-A228 VanDerWaalsContact CB-CB 3.42Å; P169-A228 HydrophobicContact CB-CB 4.34Å; V171-A228 HydrophobicContact CG2-CB 4.31Å; A228-D236 PolarHBondContact N-O 2.83Å; A228-D236 PolarHBondContact O-N 2.91Å; A228-D236 VanDerWaalsContact O-N 3.16Å
229A97.1Very high94.6Very high34 Ų3443.7 Ų43.728%0.28124%0.235SC..EExtended strand (participates in β ladder)trans-136.5138.6-178.100000110.9H170 D235H170-A229 PolarHBondContact N-O 3.31Å; H170-A229 PolarHBondContact O-N 3.14Å; A229-D235 WeakPolarHBondContact CA-OD1 3.43Å; A229-D235 WeakPolarHBondContact CB-OD1 3.13Å
230N96.5Very high94.8Very high25 Ų2538.2 Ų38.213%0.13421%0.211CC..SBendtrans-134.514.3173.770.2-4.4000113I137 P139 N166 P167 P169 V232I137-N230 PolarHBondContact O-ND2 2.77Å; P139-N230 WeakPolarHBondContact CD-OD1 3.48Å; N166-N230 PolarHBondContact N-ND2 2.65Å; N166-N230 PolarHBondContact O-ND2 2.76Å; P167-N230 VanDerWaalsContact O-CB 3.24Å; P167-N230 WeakPolarHBondContact O-CB 3.36Å; P167-N230 PolarHBondContact O-ND2 3.41Å; P169-N230 HydrophobicContact CB-CB 4.32Å; P169-N230 HydrophobicContact CG-CB 4.44Å; N230-V232 VanDerWaalsContact C-N 3.28Å; N230-V232 PolarHBondContact O-N 2.84Å; N230-V232 VanDerWaalsContact OD1-CB 3.23Å; N230-V232 WeakPolarHBondContact OD1-CB 3.38Å; N230-V232 WeakPolarHBondContact OD1-CG2 3.48Å; N230-V232 PolarHBondContact OD1-N 3.06Å
231G95.5Very high94.9Very high71 Ų7140.2 Ų40.273%0.73222%0.22SC*.SBendtrans83.9-7.2-17500000114.6
232V95.6Very high95.1Very high16 Ų1640 Ų4010%0.09722%0.219CC..SBendtrans-103.7110.3178.6-168.90000109.7K42 P138 P139 N230K42-V232 HydrophobicContact CD-CG1 4.35Å; K42-V232 HydrophobicContact CG-CG1 4.25Å; P138-V232 HydrophobicContact CB-CG1 4.44Å; P138-V232 HydrophobicContact CG-CG1 3.9Å; P139-V232 VanDerWaalsContact CD-O 3.25Å; P139-V232 WeakPolarHBondContact CD-O 3.15Å; N230-V232 VanDerWaalsContact C-N 3.28Å; N230-V232 PolarHBondContact O-N 2.84Å; N230-V232 VanDerWaalsContact OD1-CB 3.23Å; N230-V232 WeakPolarHBondContact OD1-CB 3.38Å; N230-V232 WeakPolarHBondContact OD1-CG2 3.48Å; N230-V232 PolarHBondContact OD1-N 3.06Å
233Q95.7Very high95.3Very high115 Ų11538.9 Ų38.954%0.53722%0.215SC..SBendtrans-73.6147.7-177.6-68.6-63.1-36.100112.7K42 D235K42-Q233 PolarHBondContact NZ-O 2.73Å; Q233-D235 PolarHBondContact NE2-OD1 3.5Å; Q233-D235 PolarHBondContact NE2-OD2 2.8Å
234P96.3Very high95.5Very high82 Ų8237.4 Ų37.453%0.53221%0.209SC..SBendcis-80.4146.60.433.3-34.5000112.7P139P139-P234 WeakPolarHBondContact CD-O 3.37Å
235D96.6Very high95.6Very high62 Ų6240.7 Ų40.733%0.33222%0.221SC..PPolyproline II helixtrans-63.9145.8162.7-62.5-36.6000109.9A229 Q233A229-D235 WeakPolarHBondContact CA-OD1 3.43Å; A229-D235 WeakPolarHBondContact CB-OD1 3.13Å; Q233-D235 PolarHBondContact NE2-OD1 3.5Å; Q233-D235 PolarHBondContact NE2-OD2 2.8Å
236D97.7Very high95.6Very high31 Ų3140.8 Ų40.817%0.16622%0.222CC..EExtended strand (participates in β ladder)trans-104143.5177-166.320.3000110.3P139 I141 A228 R238P139-D236 WeakPolarHBondContact O-CB 3.36Å; I141-D236 WeakPolarHBondContact CB-OD2 3.42Å; I141-D236 HydrophobicContact CD1-CB 4.35Å; I141-D236 WeakPolarHBondContact CD1-O 3.41Å; I141-D236 HydrophobicContact CG1-CB 4.25Å; I141-D236 PolarHBondContact N-OD2 2.74Å; A228-D236 PolarHBondContact N-O 2.83Å; A228-D236 PolarHBondContact O-N 2.91Å; A228-D236 VanDerWaalsContact O-N 3.16Å; D236-R238 IonicContact OD1-CZ 2.68Å; D236-R238 IonicContact OD1-NH1 3.43Å; D236-R238 PolarHBondContact OD1-NH1 2.82Å; D236-R238 IonicContact OD1-NH2 3.3Å; D236-R238 IonicContact OD2-CZ 2.86Å; D236-R238 IonicContact OD2-NH1 3.02Å; D236-R238 PolarHBondContact OD2-NH1 3.06Å; D236-R238 IonicContact OD2-NH2 3.78Å; D236-R238 PolarHBondContact OD2-NH2 2.81Å
237Q96.4Very high95.6Very high103 Ų10343.8 Ų43.848%0.48124%0.243SC..EExtended strand (participates in β ladder)trans-142.6146.7-175.465.7-176.73.700112.9L225 C226 I227L225-Q237 HydrophobicContact CD1-CB 3.96Å; L225-Q237 HydrophobicContact CD1-CG 4.24Å; L225-Q237 HydrophobicContact CG-CB 4.41Å; C226-Q237 CarbonylContact O-C 3.53Å; C226-Q237 WeakPolarHBondContact O-CA 3.38Å; C226-Q237 WeakPolarHBondContact O-CB 3.18Å; I227-Q237 HydrophobicContact CG1-CB 4.46Å
238R96.1Very high95.6Very high85 Ų8543.2 Ų43.232%0.32124%0.24SC..EExtended strand (participates in β ladder)trans-132.8130.3176.7-67.2-67.6178.1-78.5-15.8110.6I141 C226 D236I141-R238 HydrophobicContact CB-CG 4.07Å; I141-R238 HydrophobicContact CD1-CB 4.18Å; I141-R238 HydrophobicContact CD1-CG 3.69Å; I141-R238 HydrophobicContact CG1-CG 4.48Å; I141-R238 HydrophobicContact CG2-CG 3.77Å; I141-R238 PolarHBondContact O-NH2 3.03Å; C226-R238 PolarHBondContact N-O 3.44Å; C226-R238 PolarHBondContact O-N 3.13Å; D236-R238 IonicContact OD1-CZ 2.68Å; D236-R238 IonicContact OD1-NH1 3.43Å; D236-R238 PolarHBondContact OD1-NH1 2.82Å; D236-R238 IonicContact OD1-NH2 3.3Å; D236-R238 IonicContact OD2-CZ 2.86Å; D236-R238 IonicContact OD2-NH1 3.02Å; D236-R238 PolarHBondContact OD2-NH1 3.06Å; D236-R238 IonicContact OD2-NH2 3.78Å; D236-R238 PolarHBondContact OD2-NH2 2.81Å
239E94.2Very high95.5Very high87 Ų8746.6 Ų46.641%0.40726%0.256SS..EExtended strand (participates in β ladder)trans-92.1140.6178.9-71.7-177.9-163.900111.9F224 L225 F241F224-E239 CarbonylContact O-C 3.5Å; F224-E239 WeakPolarHBondContact O-CA 3.39Å; L225-E239 HydrophobicContact CD1-CG 3.55Å; E239-F241 HydrophobicContact CB-CE2 4.41Å
240V94.1Very high95.5Very high1 Ų146 Ų461%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-132.5119.3176.9-179.70000109P145 L149 W173 F224P145-V240 HydrophobicContact CB-CG2 4.1Å; P145-V240 HydrophobicContact CG-CG2 4.15Å; L149-V240 HydrophobicContact CD1-CG1 3.57Å; L149-V240 HydrophobicContact CG-CG1 4.15Å; W173-V240 HydrophobicContact CH2-CG2 4.17Å; W173-V240 HydrophobicContact CZ3-CG2 4.1Å; F224-V240 HydrophobicContact CB-CB 4.27Å; F224-V240 PolarHBondContact N-O 3.08Å; F224-V240 PolarHBondContact O-N 3.36Å
241F93.1Very high95.6Very high41 Ų4149.5 Ų49.518%0.1826%0.263CS..EExtended strand (participates in β ladder)trans-90.3107.8175.6-65.4-95.3000109.1P147 Y148 L149 R223 E239P147-F241 WeakPolarHBondContact O-CD2 3.4Å; P147-F241 PolarHBondContact O-N 3.18Å; Y148-F241 HydrophobicContact CD1-CB 3.58Å; Y148-F241 AromaticContact CD1-CD2 3.99Å; Y148-F241 HydrophobicContact CD1-CD2 3.99Å; Y148-F241 AromaticContact CD1-CG 3.9Å; Y148-F241 HydrophobicContact CD1-CG 3.9Å; Y148-F241 HydrophobicContact CE1-CB 3.92Å; Y148-F241 HydrophobicContact CE1-CD1 4.32Å; Y148-F241 AromaticContact CE1-CD2 3.59Å; Y148-F241 HydrophobicContact CE1-CD2 3.59Å; Y148-F241 HydrophobicContact CE1-CE2 4.22Å; Y148-F241 AromaticContact CE1-CG 3.68Å; Y148-F241 HydrophobicContact CE1-CG 3.68Å; Y148-F241 HydrophobicContact CG-CB 4.45Å; L149-F241 PolarHBondContact N-O 2.86Å; R223-F241 VanDerWaalsContact CD-CE1 3.45Å; R223-F241 HydrophobicContact CG-CD1 3.66Å; R223-F241 HydrophobicContact CG-CE1 3.53Å; R223-F241 HydrophobicContact CG-CZ 4.38Å; E239-F241 HydrophobicContact CB-CE2 4.41Å
242L93.6Very high95.7Very high1 Ų147.5 Ų47.51%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-91.5122.8177.5-176.562.7000110.6L149 V151 L157 L216 M220 N221 Q222 F224 V244L149-L242 HydrophobicContact CB-CD1 4.07Å; V151-L242 HydrophobicContact CB-CD1 4.5Å; V151-L242 HydrophobicContact CG2-CD1 3.9Å; L157-L242 HydrophobicContact CD2-CD1 3.84Å; L157-L242 HydrophobicContact CD2-CD2 3.79Å; L157-L242 HydrophobicContact CD2-CG 4.48Å; L216-L242 HydrophobicContact CD2-CD2 3.96Å; M220-L242 HydrophobicContact CB-CD2 4.35Å; N221-L242 WeakPolarHBondContact CA-O 3.18Å; N221-L242 PolarHBondContact OD1-O 2.86Å; Q222-L242 PolarHBondContact O-N 3.13Å; Q222-L242 VanDerWaalsContact O-N 3.1Å; F224-L242 HydrophobicContact CD2-CB 3.88Å; F224-L242 HydrophobicContact CD2-CD2 4.46Å; F224-L242 HydrophobicContact CE2-CB 3.7Å; F224-L242 HydrophobicContact CE2-CD2 3.62Å; F224-L242 HydrophobicContact CE2-CG 4.32Å; F224-L242 HydrophobicContact CZ-CD2 3.95Å; L242-V244 HydrophobicContact CD2-CG2 3.94Å; L242-V244 HydrophobicContact CG-CG2 3.91Å
243S93Very high95.8Very high11 Ų1150.4 Ų50.48%0.07725%0.253CS..EExtended strand (participates in β ladder)trans-114.688.4176.31680000110L149 K150 V151 N221 R245 H274L149-S243 WeakPolarHBondContact O-CA 3.34Å; L149-S243 WeakPolarHBondContact O-CB 3.37Å; L149-S243 PolarHBondContact O-N 2.84Å; K150-S243 WeakPolarHBondContact CA-O 2.96Å; V151-S243 PolarHBondContact N-O 2.79Å; N221-S243 VanDerWaalsContact OD1-C 3.31Å; N221-S243 WeakPolarHBondContact OD1-CA 3.37Å; S243-R245 PolarHBondContact O-N 2.81Å; S243-H274 PolarHBondContact OG-NE2 2.87Å
244V95.1Very high95.9Very high0 Ų048.8 Ų48.80%025%0.248CC..EExtended strand (participates in β ladder)trans-73.6112.1172.1-170.10000110.6V151 E153 L216 M220 N221 L242 H274V151-V244 CarbonylContact O-C 3.4Å; V151-V244 WeakPolarHBondContact O-CA 3.1Å; E153-V244 HydrophobicContact CB-CG1 3.92Å; L216-V244 HydrophobicContact CB-CG1 4.2Å; L216-V244 HydrophobicContact CB-CG2 4.5Å; L216-V244 HydrophobicContact CD1-CG2 4.37Å; L216-V244 HydrophobicContact CD2-CG2 4.45Å; M220-V244 HydrophobicContact CB-CG2 4.38Å; N221-V244 PolarHBondContact ND2-O 3.1Å; N221-V244 PolarHBondContact OD1-N 2.79Å; N221-V244 PolarHBondContact OD1-O 2.91Å; L242-V244 HydrophobicContact CD2-CG2 3.94Å; L242-V244 HydrophobicContact CG-CG2 3.91Å; V244-H274 PolarHBondContact O-CD2 2.93Å
245R95.1Very high95.9Very high69 Ų6955 Ų5526%0.2626%0.261SS..EExtended strand (participates in β ladder)trans-87.1143.1179-56.3-175.4-61.5179.42.6111.4V151 D152 E153 S243 H274 M345V151-R245 PolarHBondContact O-N 2.96Å; D152-R245 VanDerWaalsContact CG-NH2 3.32Å; D152-R245 IonicContact OD1-CZ 3.93Å; D152-R245 IonicContact OD1-NE 2.8Å; D152-R245 PolarHBondContact OD1-NE 3.41Å; D152-R245 IonicContact OD1-NH2 3.62Å; D152-R245 PolarHBondContact OD1-NH2 3.13Å; D152-R245 IonicContact OD2-NH2 3.58Å; D152-R245 PolarHBondContact OD2-NH2 2.83Å; D152-R245 VanDerWaalsContact OD2-NH2 3.15Å; E153-R245 WeakPolarHBondContact CB-O 3.4Å; E153-R245 PolarHBondContact N-O 3.44Å; S243-R245 PolarHBondContact O-N 2.81Å; R245-H274 CarbonylContact C-O 3.58Å; R245-H274 WeakPolarHBondContact CA-O 3.34Å; R245-H274 WeakPolarHBondContact CB-O 3.19Å; R245-M345 HydrophobicContact CB-CE 3.94Å; R245-M345 HydrophobicContact CB-CG 4.24Å; R245-M345 HydrophobicContact CB-SD 3.87Å
246F95.8Very high96Very high5 Ų556.2 Ų56.22%0.02227%0.266CS..EExtended strand (participates in β ladder)trans-149.9154.4179.357-89.6000111.2E153 R218 S272 A273 H274E153-F246 HydrophobicContact CB-CB 4.04Å; E153-F246 WeakPolarHBondContact OE2-CB 3.36Å; R218-F246 HydrophobicContact CB-CD1 3.5Å; R218-F246 VanDerWaalsContact CB-CD1 3.5Å; R218-F246 HydrophobicContact CB-CE1 3.59Å; R218-F246 HydrophobicContact CB-CG 4.25Å; R218-F246 HydrophobicContact CB-CZ 4.4Å; R218-F246 HydrophobicContact CG-CE1 4.44Å; F246-S272 WeakPolarHBondContact CE2-OG 3.33Å; F246-A273 VanDerWaalsContact CE2-CA 3.48Å; F246-H274 HydrophobicContact CD1-CB 3.7Å; F246-H274 HydrophobicContact CE1-CB 3.25Å; F246-H274 HydrophobicContact CE2-CB 4.39Å; F246-H274 HydrophobicContact CG-CB 4.44Å; F246-H274 HydrophobicContact CZ-CB 3.65Å; F246-H274 PolarHBondContact N-O 2.86Å; F246-H274 PolarHBondContact O-N 2.82Å; F246-H274 VanDerWaalsContact O-O 3.1Å
247S96Very high95.9Very high63 Ų6355.7 Ų55.744%0.44126%0.263SS..EExtended strand (participates in β ladder)trans-67155.3-18053.50000112.1
248P96.3Very high95.9Very high6 Ų657 Ų574%0.03927%0.267CS..EExtended strand (participates in β ladder)trans-69.9140.7-17726.4-32.8000112.3S272 A273 V341 T343 G346 S348P248-S272 CarbonylContact C-O 3.54Å; P248-S272 WeakPolarHBondContact CA-O 3.47Å; P248-A273 HydrophobicContact CB-CB 3.83Å; P248-V341 HydrophobicContact CB-CB 4.21Å; P248-V341 HydrophobicContact CB-CG1 3.87Å; P248-T343 HydrophobicContact CB-CG2 4.03Å; P248-T343 WeakPolarHBondContact CD-OG1 3.25Å; P248-T343 HydrophobicContact CG-CG2 3.99Å; P248-G346 WeakPolarHBondContact CG-O 3.28Å; P248-S348 WeakPolarHBondContact O-CB 3.43Å; P248-S348 PolarHBondContact O-OG 2.99Å
249E96Very high95.9Very high70 Ų7055 Ų5533%0.32726%0.262SS..EExtended strand (participates in β ladder)trans-121.1125.4171-70.5170.8-159.700109.1R218 V271 S272R218-E249 IonicContact CZ-OE1 2.71Å; R218-E249 VanDerWaalsContact CZ-OE1 3.22Å; R218-E249 IonicContact NH1-OE1 2.73Å; R218-E249 PolarHBondContact NH1-OE1 2.91Å; R218-E249 IonicContact NH1-OE2 3.15Å; R218-E249 PolarHBondContact NH1-OE2 2.67Å; R218-E249 IonicContact NH2-OE1 3.1Å; R218-E249 PolarHBondContact NH2-OE1 2.8Å; E249-V271 WeakPolarHBondContact O-CA 3.49Å; E249-S272 PolarHBondContact N-O 3.08Å; E249-S272 PolarHBondContact O-N 3.42Å
250V97.5Very high95.8Very high22 Ų2251.4 Ų51.413%0.13325%0.247CC..EExtended strand (participates in β ladder)trans-111124.3179.9-173.50000109.8M252 C269 V271 C339 V341V250-M252 HydrophobicContact CG1-SD 4.22Å; V250-C269 HydrophobicContact CG1-CB 4.11Å; V250-V271 HydrophobicContact CG1-CG2 4.47Å; V250-V271 HydrophobicContact CG2-CG2 4.39Å; V250-C339 HydrophobicContact CG1-CB 4.3Å; V250-V341 HydrophobicContact CG2-CB 4.08Å; V250-V341 HydrophobicContact CG2-CG2 3.55Å
251K97.4Very high95.8Very high99 Ų9955.1 Ų55.143%0.4327%0.266SS..EExtended strand (participates in β ladder)trans-115.9119.8173.9-64.2173.6-167.9155.10109.3C269 Q270 E319K251-C269 CarbonylContact O-C 3.48Å; K251-C269 WeakPolarHBondContact O-CA 3.38Å; K251-Q270 HydrophobicContact CB-CB 4.41Å; K251-Q270 PolarHBondContact N-O 3.02Å; K251-Q270 PolarHBondContact O-N 3.15Å; K251-E319 IonicContact NZ-OE1 2.7Å; K251-E319 PolarHBondContact NZ-OE1 3.07Å
252M97.8Very high95.7Very high28 Ų2855.2 Ų55.214%0.13828%0.279CS..EExtended strand (participates in β ladder)trans-82.1135.1170.5-54.5-55.5-75.200109.4V250 N254 C269 W281 C339 G350 T352V250-M252 HydrophobicContact CG1-SD 4.22Å; M252-N254 VanDerWaalsContact C-N 3.27Å; M252-N254 PolarHBondContact O-N 2.8Å; M252-C269 HydrophobicContact CE-CB 4.18Å; M252-C269 HydrophobicContact SD-CB 3.51Å; M252-C269 VanDerWaalsContact SD-CB 3.51Å; M252-W281 HydrophobicContact CE-CH2 3.69Å; M252-W281 HydrophobicContact CE-CZ3 3.72Å; M252-C339 HydrophobicContact CE-CB 4.12Å; M252-C339 HydrophobicContact SD-CB 3.84Å; M252-G350 VanDerWaalsContact SD-C 3.55Å; M252-T352 WeakPolarHBondContact CE-OG1 3.4Å
253T97.6Very high95.7Very high77 Ų7759 Ų5947%0.47230%0.298SS..SBendtrans-60.2-39.9177.3-58.30000111.7T268T253-T268 PolarHBondContact N-O 3.06Å; T253-T268 WeakPolarHBondContact OG1-CB 3.36Å; T253-T268 WeakPolarHBondContact OG1-CG2 3.48Å; T253-T268 PolarHBondContact OG1-O 2.82Å
254N97.6Very high95.7Very high81 Ų8162.9 Ų62.943%0.43332%0.317SS..  trans-129.2135.3176.5-66.8-56.3000109.6M252 I257 T352M252-N254 VanDerWaalsContact C-N 3.27Å; M252-N254 PolarHBondContact O-N 2.8Å; N254-I257 HydrophobicContact CB-CD1 4.12Å; N254-I257 HydrophobicContact CB-CG1 3.75Å; N254-T352 WeakPolarHBondContact O-CB 3.49Å; N254-T352 VanDerWaalsContact O-CG2 3.27Å; N254-T352 WeakPolarHBondContact O-CG2 3.38Å; N254-T352 PolarHBondContact O-OG1 2.79Å
255R97.4Very high95.8Very high214 Ų21463.3 Ų63.381%0.80832%0.32SS*.SBendtrans-75.5-36172.7-65.2-174.9-178.4-170.5-0.1112.2T352 T353R255-T352 WeakPolarHBondContact O-CA 3.32Å; R255-T353 PolarHBondContact O-N 3.03Å
256I97.6Very high95.8Very high87 Ų8763.7 Ų63.745%0.44633%0.33SS..EExtended strand (participates in β ladder)trans-133.4134.4-179.7-59.5171.7000108.2K258 T353 Q355I256-K258 HydrophobicContact CG2-CG 4.39Å; I256-T353 WeakPolarHBondContact CA-O 3.14Å; I256-Q355 HydrophobicContact CG2-CB 4.46Å; I256-Q355 HydrophobicContact CG2-CG 3.93Å
257I97Very high96Very high20 Ų2063.4 Ų63.410%0.10333%0.329CS..EExtended strand (participates in β ladder)trans-122.1127.5171.3-65.8174.8000107.7N254 L267 T352 T353 L354 Q355N254-I257 HydrophobicContact CB-CD1 4.12Å; N254-I257 HydrophobicContact CB-CG1 3.75Å; I257-L267 HydrophobicContact CD1-CD2 3.57Å; I257-T352 HydrophobicContact CD1-CG2 3.86Å; I257-T352 HydrophobicContact CG1-CG2 3.93Å; I257-T353 PolarHBondContact N-O 2.05Å; I257-L354 HydrophobicContact CB-CD1 3.99Å; I257-L354 HydrophobicContact CG2-CD1 3.77Å; I257-L354 CarbonylContact O-C 3.57Å; I257-L354 WeakPolarHBondContact O-CA 3.49Å; I257-Q355 PolarHBondContact O-N 3.36Å
258K95.4Very high96.1Very high131 Ų13161.8 Ų61.857%0.5732%0.316SS*.EExtended strand (participates in β ladder)trans-102.4118.1176.3-67.5-177-179.5-178.70109.2I256 Q355 F357I256-K258 HydrophobicContact CG2-CG 4.39Å; K258-Q355 CarbonylContact C-O 3.59Å; K258-Q355 WeakPolarHBondContact CA-O 3.42Å; K258-Q355 HydrophobicContact CG-CB 4.18Å; K258-F357 HydrophobicContact CB-CB 4.3Å; K258-F357 HydrophobicContact CB-CD2 4.27Å
259Q95.4Very high96.1Very high43 Ų4361.5 Ų61.520%0.20131%0.314CS..EExtended strand (participates in β ladder)trans-137.7144.7-178.5-156.369.14900110.8M263 L329 F334 L354 Q355 R356 F357Q259-M263 HydrophobicContact CG-CB 3.86Å; Q259-M263 HydrophobicContact CG-CE 4.02Å; Q259-M263 PolarHBondContact NE2-SD 2.76Å; Q259-L329 HydrophobicContact CB-CD1 3.61Å; Q259-L329 HydrophobicContact CG-CD1 3.39Å; Q259-F334 WeakPolarHBondContact O-CE1 3.34Å; Q259-F334 WeakPolarHBondContact O-CZ 3.49Å; Q259-L354 HydrophobicContact CB-CD1 4.08Å; Q259-Q355 PolarHBondContact N-O 2.87Å; Q259-R356 CarbonylContact O-C 3.5Å; Q259-R356 WeakPolarHBondContact O-CA 3.4Å; Q259-F357 PolarHBondContact O-N 2.97Å
260G92.9Very high96.2Very high10 Ų1061.4 Ų61.410%0.10331%0.314CS..  trans-83.4163.1170.400000113.6
261I93.5Very high96.1Very high79 Ų7960.5 Ų60.541%0.40531%0.308SS..THydrogen-bonded Turntrans-63.3145.9177.1-67.1172.9000110.1M263 L329 V331 F334 R356I261-M263 PolarHBondContact O-N 2.88Å; I261-L329 CarbonylContact C-O 3.58Å; I261-L329 WeakPolarHBondContact CA-O 3.17Å; I261-L329 WeakPolarHBondContact CG2-O 3.34Å; I261-V331 HydrophobicContact CD1-CG2 3.85Å; I261-F334 HydrophobicContact CG1-CE2 3.92Å; I261-F334 HydrophobicContact CG1-CZ 4.2Å; I261-R356 VanDerWaalsContact CD1-CZ 3.46Å
262G91.6Very high95.9Very high43 Ų4356.2 Ų56.244%0.44329%0.291SS..THydrogen-bonded Turntrans81.4-14.1-179.800000114.6N328 L329G262-N328 WeakPolarHBondContact CA-OD1 3.25Å; G262-L329 PolarHBondContact N-O 3.28Å
263M93.7Very high95.7Very high82 Ų8255.4 Ų55.440%0.40429%0.289SS..  trans-83.7167.9177.3-64.7-165.3-78.200112.1Q259 I261 N328 L329Q259-M263 HydrophobicContact CG-CB 3.86Å; Q259-M263 HydrophobicContact CG-CE 4.02Å; Q259-M263 PolarHBondContact NE2-SD 2.76Å; I261-M263 PolarHBondContact O-N 2.88Å; M263-N328 PolarHBondContact O-N 2.86Å; M263-L329 VanDerWaalsContact O-CG 3.25Å; M263-L329 WeakPolarHBondContact O-CG 3.38Å; M263-L329 PolarHBondContact O-N 2.82Å
264N93.7Very high95.5Very high91 Ų9153.1 Ų53.149%0.48727%0.273SS..  trans-105.7149.6175.2-56-24.9000109.4I326 F327 N328N264-I326 CarbonylContact C-O 3.56Å; N264-I326 VanDerWaalsContact CA-O 3.3Å; N264-I326 WeakPolarHBondContact CA-O 3.42Å; N264-F327 HydrophobicContact CB-CD1 4.11Å; N264-F327 WeakPolarHBondContact OD1-CA 3.23Å; N264-N328 PolarHBondContact OD1-N 2.83Å
265T95.8Very high95.3Very high10 Ų1051.1 Ų51.16%0.06126%0.264CS..EExtended strand (participates in β ladder)trans-137.9154.3176.1-173.40000110.9A325 I326 L329 L354T265-A325 CarbonylContact O-C 3.59Å; T265-A325 WeakPolarHBondContact O-CA 3.4Å; T265-I326 HydrophobicContact CG2-CB 3.83Å; T265-I326 HydrophobicContact CG2-CD1 3.92Å; T265-I326 HydrophobicContact CG2-CG1 4.16Å; T265-I326 PolarHBondContact N-O 3.07Å; T265-I326 PolarHBondContact O-N 3.01Å; T265-L329 HydrophobicContact CG2-CD1 4.06Å; T265-L329 HydrophobicContact CG2-CD2 4.14Å; T265-L329 HydrophobicContact CG2-CG 4.46Å; T265-L354 HydrophobicContact CG2-CD1 4.07Å; T265-L354 HydrophobicContact CG2-CD2 3.95Å
266V97Very high95Very high76 Ų7644.7 Ų44.746%0.46125%0.25SS..EExtended strand (participates in β ladder)trans-126.5121.1176.4-177.40000108.8K323 L324 A325V266-K323 HydrophobicContact CG1-CB 4.06Å; V266-K323 HydrophobicContact CG1-CD 4.48Å; V266-L324 WeakPolarHBondContact CA-O 3.24Å; V266-A325 HydrophobicContact CG2-CB 4.05Å
267L98Very high94.7Very high0 Ų041.3 Ų41.30%024%0.237CC..EExtended strand (participates in β ladder)trans-93.1136.2172.5-47.3-175.4000108I257 W281 K323 L324 I326 Y337 T352I257-L267 HydrophobicContact CD1-CD2 3.57Å; L267-W281 HydrophobicContact CB-CH2 3.61Å; L267-W281 HydrophobicContact CB-CZ3 3.75Å; L267-W281 HydrophobicContact CD1-CZ3 3.92Å; L267-K323 CarbonylContact O-C 3.5Å; L267-K323 VanDerWaalsContact O-CA 3.23Å; L267-K323 WeakPolarHBondContact O-CA 3.36Å; L267-L324 HydrophobicContact CB-CB 4.38Å; L267-L324 HydrophobicContact CD1-CD2 4.31Å; L267-L324 PolarHBondContact N-O 3.48Å; L267-L324 PolarHBondContact O-N 2.91Å; L267-I326 HydrophobicContact CD1-CD1 3.95Å; L267-I326 HydrophobicContact CG-CD1 4.19Å; L267-Y337 HydrophobicContact CD1-CD1 3.65Å; L267-Y337 HydrophobicContact CD1-CD2 3.85Å; L267-Y337 HydrophobicContact CD1-CE1 4.49Å; L267-Y337 HydrophobicContact CD1-CG 3.29Å; L267-T352 HydrophobicContact CD2-CG2 4.05Å
268T98.1Very high94.6Very high28 Ų2843.2 Ų43.217%0.17225%0.252CS..EExtended strand (participates in β ladder)trans-127.6126.7-179.9-57.20000109T253 T321 S322 K323T253-T268 PolarHBondContact N-O 3.06Å; T253-T268 WeakPolarHBondContact OG1-CB 3.36Å; T253-T268 WeakPolarHBondContact OG1-CG2 3.48Å; T253-T268 PolarHBondContact OG1-O 2.82Å; T268-T321 HydrophobicContact CG2-CG2 3.68Å; T268-S322 WeakPolarHBondContact CA-O 3.3Å; T268-K323 HydrophobicContact CG2-CG 3.99Å
269C97.7Very high94.6Very high0 Ų037.9 Ų37.90%023%0.229CC..EExtended strand (participates in β ladder)trans-117.9140.8168.463.40000110.6V250 K251 M252 W281 T321 S322 C339V250-C269 HydrophobicContact CG1-CB 4.11Å; K251-C269 CarbonylContact O-C 3.48Å; K251-C269 WeakPolarHBondContact O-CA 3.38Å; M252-C269 HydrophobicContact CE-CB 4.18Å; M252-C269 HydrophobicContact SD-CB 3.51Å; M252-C269 VanDerWaalsContact SD-CB 3.51Å; C269-W281 HydrophobicContact CB-CH2 4.22Å; C269-W281 HydrophobicContact CB-CZ2 4.17Å; C269-W281 WeakPolarHBondContact SG-CZ2 3.33Å; C269-T321 WeakPolarHBondContact O-CA 3.36Å; C269-S322 PolarHBondContact N-O 2.02Å; C269-S322 PolarHBondContact O-N 3.45Å; C269-C339 HydrophobicContact CB-CB 3.54Å; C269-C339 WeakPolarHBondContact CB-SG 3.47Å; C269-C339 WeakPolarHBondContact SG-CB 3.3Å; C269-C339 CovalentContact SG-SG 2.06Å; C269-C339 PolarHBondContact SG-SG 3.29Å
270Q96.7Very high94.7Very high69 Ų6943 Ų4332%0.32225%0.247SC..EExtended strand (participates in β ladder)trans-108.3128.5172.7-68.4174.4-42.200108.3K251 I320K251-Q270 HydrophobicContact CB-CB 4.41Å; K251-Q270 PolarHBondContact N-O 3.02Å; K251-Q270 PolarHBondContact O-N 3.15Å; Q270-I320 CarbonylContact C-O 3.57Å; Q270-I320 WeakPolarHBondContact CA-O 3.47Å
271V95.8Very high94.9Very high2 Ų243.1 Ų43.11%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-121.6119.4-172.9177.20000109.2E249 V250 A273 I279 E319 I320 V341E249-V271 WeakPolarHBondContact O-CA 3.49Å; V250-V271 HydrophobicContact CG1-CG2 4.47Å; V250-V271 HydrophobicContact CG2-CG2 4.39Å; V271-A273 HydrophobicContact CG1-CB 4.39Å; V271-I279 HydrophobicContact CB-CD1 4.35Å; V271-I279 HydrophobicContact CG2-CD1 3.95Å; V271-I279 HydrophobicContact CG2-CG1 4.44Å; V271-E319 CarbonylContact O-C 3.41Å; V271-E319 WeakPolarHBondContact O-CA 3.44Å; V271-I320 HydrophobicContact CB-CB 4.31Å; V271-I320 PolarHBondContact N-O 2.99Å; V271-I320 PolarHBondContact O-N 2.89Å; V271-V341 HydrophobicContact CB-CG2 4.29Å; V271-V341 HydrophobicContact CG1-CB 4.25Å; V271-V341 HydrophobicContact CG1-CG1 3.78Å; V271-V341 HydrophobicContact CG1-CG2 3.7Å; V271-V341 HydrophobicContact CG2-CG2 3.57Å
272S94.4Very high95.2Very high9 Ų940.8 Ų40.86%0.06323%0.232CC..EExtended strand (participates in β ladder)trans-106.5114.4171.4176.30000108.6F246 P248 E249F246-S272 WeakPolarHBondContact CE2-OG 3.33Å; P248-S272 CarbonylContact C-O 3.54Å; P248-S272 WeakPolarHBondContact CA-O 3.47Å; E249-S272 PolarHBondContact N-O 3.08Å; E249-S272 PolarHBondContact O-N 3.42Å
273A93.6Very high95.4Very high12 Ų1240.2 Ų40.210%0.09922%0.218CC..EExtended strand (participates in β ladder)trans-155143.3179.100000111.3F246 P248 V271 T343F246-A273 VanDerWaalsContact CE2-CA 3.48Å; P248-A273 HydrophobicContact CB-CB 3.83Å; V271-A273 HydrophobicContact CG1-CB 4.39Å; A273-T343 HydrophobicContact CB-CG2 3.93Å
274H93.4Very high95.6Very high29 Ų2939.1 Ų39.113%0.13421%0.214CC..EExtended strand (participates in β ladder)trans-141117.4171.7-166.474.9000112.3S243 V244 R245 F246 S316S243-H274 PolarHBondContact OG-NE2 2.87Å; V244-H274 PolarHBondContact O-CD2 2.93Å; R245-H274 CarbonylContact C-O 3.58Å; R245-H274 WeakPolarHBondContact CA-O 3.34Å; R245-H274 WeakPolarHBondContact CB-O 3.19Å; F246-H274 HydrophobicContact CD1-CB 3.7Å; F246-H274 HydrophobicContact CE1-CB 3.25Å; F246-H274 HydrophobicContact CE2-CB 4.39Å; F246-H274 HydrophobicContact CG-CB 4.44Å; F246-H274 HydrophobicContact CZ-CB 3.65Å; F246-H274 PolarHBondContact N-O 2.86Å; F246-H274 PolarHBondContact O-N 2.82Å; F246-H274 VanDerWaalsContact O-O 3.1Å; H274-S316 VanDerWaalsContact CB-OG 3.25Å; H274-S316 WeakPolarHBondContact CB-OG 3.46Å; H274-S316 PolarHBondContact CD2-OG 2.93Å; H274-S316 PolarHBondContact CE1-OG 2.82Å; H274-S316 PolarHBondContact ND1-OG 2.9Å
275P92.7Very high95.6Very high38 Ų3838.8 Ų38.825%0.24721%0.209CC..SBendcis-68.81600.331.3-36.8000112.6I344P275-I344 HydrophobicContact CG-CD1 3.69Å; P275-I344 HydrophobicContact CG-CG1 3.64Å
276P90.3Very high95.5Very high80 Ų8045.1 Ų45.152%0.51924%0.238SC..  trans-62.3141.1175.627.8-35.7000111I320P276-I320 HydrophobicContact CB-CD1 3.91Å
277G91.8Very high95.5Very high16 Ų1649 Ų4917%0.16525%0.245CC..  trans-106.6-171.2-179.800000113.9S342G277-S342 CarbonylContact C-O 3.51Å; G277-S342 WeakPolarHBondContact CA-O 3.36Å
278S94.8Very high95.4Very high60 Ų6053.1 Ų53.142%0.4227%0.272SS..EExtended strand (participates in β ladder)trans-88.3134.9169.754.20000110.3V341 S342S278-V341 VanDerWaalsContact O-CA 3.32Å; S278-V341 WeakPolarHBondContact O-CA 3.28Å; S278-S342 PolarHBondContact N-O 3.16Å; S278-S342 PolarHBondContact O-N 2.82Å; S278-S342 PolarHBondContact OG-OG 3.06Å
279I96.5Very high95.3Very high19 Ų1952.9 Ų52.910%0.09727%0.269CS..EExtended strand (participates in β ladder)trans-102.9135.5176.7-54.1176.9000107.9V271 I320 S340 V341V271-I279 HydrophobicContact CB-CD1 4.35Å; V271-I279 HydrophobicContact CG2-CD1 3.95Å; V271-I279 HydrophobicContact CG2-CG1 4.44Å; I279-I320 HydrophobicContact CD1-CB 4.34Å; I279-I320 HydrophobicContact CD1-CG2 3.65Å; I279-S340 CarbonylContact C-O 3.59Å; I279-S340 WeakPolarHBondContact CA-O 3.49Å; I279-V341 HydrophobicContact CG1-CG2 4.08Å; I279-V341 HydrophobicContact CG2-CG2 4.42Å
280R96.7Very high95.1Very high149 Ų14957.5 Ų57.556%0.56231%0.307SS*.EExtended strand (participates in β ladder)trans-137.3134.8179.8-59.618070.8114.3-0.3109.7S340R280-S340 PolarHBondContact N-O 2.94Å; R280-S340 PolarHBondContact O-N 3.09Å
281W98.1Very high94.9Very high13 Ų1355.7 Ų55.75%0.04930%0.304CS..EExtended strand (participates in β ladder)trans-97.6133173.2-72.987.7000110.6M252 L267 C269 I289 L306 S322 L324 V338 C339M252-W281 HydrophobicContact CE-CH2 3.69Å; M252-W281 HydrophobicContact CE-CZ3 3.72Å; L267-W281 HydrophobicContact CB-CH2 3.61Å; L267-W281 HydrophobicContact CB-CZ3 3.75Å; L267-W281 HydrophobicContact CD1-CZ3 3.92Å; C269-W281 HydrophobicContact CB-CH2 4.22Å; C269-W281 HydrophobicContact CB-CZ2 4.17Å; C269-W281 WeakPolarHBondContact SG-CZ2 3.33Å; W281-I289 HydrophobicContact CB-CB 4.25Å; W281-I289 HydrophobicContact CB-CD1 4.21Å; W281-I289 PolarHBondContact O-N 3.48Å; W281-L306 VanDerWaalsContact CD1-CD1 3.47Å; W281-S322 PolarHBondContact NE1-OG 3.06Å; W281-L324 HydrophobicContact CB-CD2 4.07Å; W281-L324 HydrophobicContact CD2-CB 3.84Å; W281-L324 HydrophobicContact CD2-CD2 3.86Å; W281-L324 HydrophobicContact CD2-CG 4.42Å; W281-L324 HydrophobicContact CE3-CB 4.18Å; W281-L324 HydrophobicContact CE3-CD2 3.79Å; W281-L324 HydrophobicContact CG-CB 4.26Å; W281-L324 HydrophobicContact CG-CD2 4.01Å; W281-L324 HydrophobicContact CH2-CB 4.31Å; W281-L324 HydrophobicContact CZ2-CB 3.99Å; W281-L324 HydrophobicContact CZ3-CB 4.4Å; W281-L324 HydrophobicContact CZ3-CD2 4.48Å; W281-V338 CarbonylContact C-O 3.6Å; W281-V338 VanDerWaalsContact CA-O 3.29Å; W281-V338 WeakPolarHBondContact CA-O 3.48Å; W281-C339 HydrophobicContact CD2-CB 4.13Å; W281-C339 HydrophobicContact CE3-CB 4.03Å; W281-C339 HydrophobicContact CH2-CB 3.85Å; W281-C339 HydrophobicContact CZ2-CB 3.94Å; W281-C339 HydrophobicContact CZ3-CB 3.89Å
282L97.9Very high94.6Very high30 Ų3057.7 Ų57.716%0.15732%0.317CS..EExtended strand (participates in β ladder)trans-124.1147.8175.2-50.597.3000110.5Y287 Y337 V338L282-Y287 CarbonylContact C-O 3.59Å; L282-Y287 VanDerWaalsContact CA-O 3.25Å; L282-Y287 WeakPolarHBondContact CA-O 3.31Å; L282-Y337 CarbonylContact O-C 3.49Å; L282-Y337 WeakPolarHBondContact O-CA 3.37Å; L282-V338 HydrophobicContact CB-CB 4.26Å; L282-V338 HydrophobicContact CD1-CB 4.33Å; L282-V338 HydrophobicContact CD1-CG1 4.32Å; L282-V338 PolarHBondContact N-O 2.82Å; L282-V338 PolarHBondContact O-N 2.67Å
283F97.8Very high94.4Very high31 Ų3159.7 Ų59.714%0.13633%0.33CS..EExtended strand (participates in β ladder)trans-102135.7169.2-178.9-115.9000109.8H285 H286 Y287 I289 G332 D336 Y337F283-H285 PolarHBondContact O-N 2.68Å; F283-H286 PolarHBondContact O-N 3.16Å; F283-Y287 HydrophobicContact CD1-CD2 4.47Å; F283-Y287 PolarHBondContact N-O 3.49Å; F283-Y287 WeakPolarHBondContact O-CD2 3.14Å; F283-Y287 PolarHBondContact O-N 3.3Å; F283-I289 HydrophobicContact CB-CD1 4.1Å; F283-I289 HydrophobicContact CB-CG1 4.12Å; F283-G332 WeakPolarHBondContact CZ-O 3.04Å; F283-D336 CarbonylContact C-O 3.6Å; F283-Y337 HydrophobicContact CD2-CD1 4.21Å; F283-Y337 HydrophobicContact CD2-CD2 4.17Å; F283-Y337 AromaticContact CD2-CE1 3.79Å; F283-Y337 HydrophobicContact CD2-CE1 3.79Å; F283-Y337 AromaticContact CD2-CE2 3.77Å; F283-Y337 HydrophobicContact CD2-CE2 3.77Å; F283-Y337 HydrophobicContact CD2-CG 4.37Å; F283-Y337 AromaticContact CD2-CZ 3.55Å; F283-Y337 HydrophobicContact CE2-CD2 4.41Å; F283-Y337 HydrophobicContact CE2-CE1 4.5Å; F283-Y337 AromaticContact CE2-CE2 3.78Å; F283-Y337 HydrophobicContact CE2-CE2 3.78Å; F283-Y337 AromaticContact CE2-CZ 3.81Å
284N96Very high94.2Very high60 Ų6060.8 Ų60.832%0.32134%0.337SS..THydrogen-bonded Turntrans45.244.5-174.8-66.4-23.3000113H286 Y287 D336N284-H286 PolarHBondContact O-N 2.95Å; N284-H286 PolarHBondContact O-ND1 3.47Å; N284-Y287 HydrophobicContact CB-CD2 4.47Å; N284-D336 WeakPolarHBondContact CA-O 3.48Å; N284-D336 PolarHBondContact N-O 3Å; N284-D336 PolarHBondContact OD1-N 2.75Å
285H95.1Very high93.9Very high83 Ų8365.5 Ų65.538%0.38436%0.363SS..THydrogen-bonded Turntrans65.5-12.7178.1-5479.9000116.9F283 D336 V338F283-H285 PolarHBondContact O-N 2.68Å; H285-D336 IonicContact CE1-OD2 2.8Å; H285-D336 PolarHBondContact CE1-OD2 3.12Å; H285-V338 HydrophobicContact CB-CG2 4.35Å
286H94.2Very high93.4Very high144 Ų14468.5 Ų68.567%0.66738%0.38SS*.THydrogen-bonded Turntrans-124.3-32.5-169.1-60.389.5000114F283 N284 P288F283-H286 PolarHBondContact O-N 3.16Å; N284-H286 PolarHBondContact O-N 2.95Å; N284-H286 PolarHBondContact O-ND1 3.47Å; H286-P288 VanDerWaalsContact O-CD 3.28Å; H286-P288 WeakPolarHBondContact O-CD 3.44Å
287Y96.3Very high92.3Very high156 Ų15668.2 Ų68.261%0.61237%0.373SS*.EExtended strand (participates in β ladder)trans-94.2110.7-169.8-59.9-72.1000110.7L282 F283 N284 I289L282-Y287 CarbonylContact C-O 3.59Å; L282-Y287 VanDerWaalsContact CA-O 3.25Å; L282-Y287 WeakPolarHBondContact CA-O 3.31Å; F283-Y287 HydrophobicContact CD1-CD2 4.47Å; F283-Y287 PolarHBondContact N-O 3.49Å; F283-Y287 WeakPolarHBondContact O-CD2 3.14Å; F283-Y287 PolarHBondContact O-N 3.3Å; N284-Y287 HydrophobicContact CB-CD2 4.47Å; Y287-I289 PolarHBondContact O-N 2.85Å
288P96.4Very high91.3Very high87 Ų8773.8 Ų73.857%0.56540%0.404SS*.EExtended strand (participates in β ladder)trans-63.9135.3178.9-19.233.6000111H286H286-P288 VanDerWaalsContact O-CD 3.28Å; H286-P288 WeakPolarHBondContact O-CD 3.44Å
289I95.9Very high89.8Confident24 Ų2475.2 Ų75.212%0.12341%0.407CS..  trans-90114179.6-60.6176.7000109.2W281 F283 Y287 A291 Y304 L324 Y337W281-I289 HydrophobicContact CB-CB 4.25Å; W281-I289 HydrophobicContact CB-CD1 4.21Å; W281-I289 PolarHBondContact O-N 3.48Å; F283-I289 HydrophobicContact CB-CD1 4.1Å; F283-I289 HydrophobicContact CB-CG1 4.12Å; Y287-I289 PolarHBondContact O-N 2.85Å; I289-A291 HydrophobicContact CG2-CB 4.38Å; I289-A291 PolarHBondContact O-N 2.84Å; I289-A291 VanDerWaalsContact O-N 3.14Å; I289-Y304 HydrophobicContact CG2-CD1 3.77Å; I289-Y304 HydrophobicContact CG2-CD2 3.59Å; I289-Y304 HydrophobicContact CG2-CE1 4.11Å; I289-Y304 HydrophobicContact CG2-CE2 3.95Å; I289-Y304 HydrophobicContact CG2-CG 3.5Å; I289-L324 HydrophobicContact CD1-CD2 3.68Å; I289-L324 HydrophobicContact CG2-CD1 4.22Å; I289-L324 HydrophobicContact CG2-CD2 4.38Å; I289-Y337 HydrophobicContact CD1-CD1 3.42Å; I289-Y337 VanDerWaalsContact CD1-CD1 3.42Å; I289-Y337 HydrophobicContact CD1-CE1 3.51Å
290A92.4Very high88.2Confident96 Ų9680 Ų8079%0.79344%0.442SS*.  trans-78.592.9171.200000109.9
291A91.9Very high86.6Confident32 Ų3280.6 Ų80.626%0.26445%0.451SS..  trans-106.6144177.300000111.1I289 L306 L324I289-A291 HydrophobicContact CG2-CB 4.38Å; I289-A291 PolarHBondContact O-N 2.84Å; I289-A291 VanDerWaalsContact O-N 3.14Å; A291-L306 HydrophobicContact CB-CB 3.9Å; A291-L324 HydrophobicContact CB-CD1 3.8Å
292T89.7Confident85.6Confident44 Ų4483.4 Ų83.427%0.2746%0.464SS..EExtended strand (participates in β ladder)trans-97.8156.9173.959.40000111.2C294 K302 Y304 C305 L306T292-C294 PolarHBondContact O-N 3.47Å; T292-K302 HydrophobicContact CG2-CD 3.6Å; T292-K302 WeakPolarHBondContact OG1-CD 3.46Å; T292-Y304 PolarHBondContact N-O 3.26Å; T292-C305 CarbonylContact O-C 3.15Å; T292-C305 WeakPolarHBondContact O-CA 3.15Å; T292-L306 PolarHBondContact O-N 2.73Å
293S91.1Very high85.3Confident50 Ų5084.6 Ų84.635%0.3547%0.468SS..EExtended strand (participates in β ladder)trans-55.2131.8173.11770000110.9D295 V296 L306S293-D295 PolarHBondContact O-N 2.8Å; S293-D295 PolarHBondContact OG-N 2.86Å; S293-V296 PolarHBondContact O-N 2.8Å; S293-L306 WeakPolarHBondContact CA-O 3.36Å
294C89.7Confident85.1Confident35 Ų3585.1 Ų85.124%0.23647%0.469CS..G310 helixtrans-62.4-23.2176.1-58.40000112.4T292 C305 L306 Q307T292-C294 PolarHBondContact O-N 3.47Å; C294-C305 HydrophobicContact CB-CB 3.93Å; C294-C305 WeakPolarHBondContact CB-SG 3.46Å; C294-C305 WeakPolarHBondContact SG-CB 3.48Å; C294-C305 CovalentContact SG-SG 2.05Å; C294-C305 PolarHBondContact SG-SG 2.82Å; C294-L306 PolarHBondContact N-O 2.78Å; C294-L306 VanDerWaalsContact N-O 3.08Å; C294-L306 VanDerWaalsContact SG-C 3.55Å; C294-L306 PolarHBondContact SG-N 3.03Å; C294-L306 VanDerWaalsContact SG-N 3.42Å; C294-Q307 HydrophobicContact CB-CB 4.49Å
295D86.4Confident85Confident129 Ų12982.4 Ų82.469%0.6946%0.455SS*.G310 helixtrans-77-20.6-179.1-55.1-43.4000113.4S293S293-D295 PolarHBondContact O-N 2.8Å; S293-D295 PolarHBondContact OG-N 2.86Å
296V81.5Confident85Confident100 Ų10080.5 Ų80.561%0.60645%0.447SS*.G310 helixtrans-109.915.5-173.5-165.80000111.2S293 T298S293-V296 PolarHBondContact O-N 2.8Å; V296-T298 PolarHBondContact O-N 3.5Å
297M67.3Low85Confident74 Ų7478.1 Ų78.137%0.36544%0.437SS..  trans-77.389.4-172.9-164.5164.666.700111.3K302 C305 F327M297-K302 HydrophobicContact SD-CB 4.34Å; M297-C305 HydrophobicContact SD-CB 4.16Å; M297-F327 HydrophobicContact CE-CE2 3.99Å; M297-F327 HydrophobicContact CE-CZ 4Å; M297-F327 HydrophobicContact SD-CE2 4.09Å
298T72.5Confident84.9Confident133 Ų13373.5 Ų73.582%0.81642%0.42SS*.  trans-91.7-18.5175.255.70000113.8V296V296-T298 PolarHBondContact O-N 3.5Å
299N62Low84.7Confident91 Ų9175.3 Ų75.349%0.48742%0.421SS..  trans-97.7132.9-173.9-136.432.3000111E301 K302N299-E301 PolarHBondContact O-N 2.88Å; N299-E301 VanDerWaalsContact O-N 3.09Å; N299-K302 HydrophobicContact CB-CG 4.28Å
300S63Low84.4Confident118 Ų11879.4 Ų79.483%0.82544%0.435SS*.THydrogen-bonded Turntrans-65.1-6.9176.544.60000114.4
301E64.2Low83.9Confident162 Ų16276.9 Ų76.976%0.75741%0.411SS*.THydrogen-bonded Turntrans-118.911.4-168.4-60.8-172158.300115.8N299 K303N299-E301 PolarHBondContact O-N 2.88Å; N299-E301 VanDerWaalsContact O-N 3.09Å; E301-K303 PolarHBondContact O-N 3.31Å
302K76.6Confident82.8Confident72 Ų7285.1 Ų85.131%0.31344%0.444SS..  trans-79.6116.6178.6-67.8-169.3-175.6165.80111.6T292 M297 N299 Y304T292-K302 HydrophobicContact CG2-CD 3.6Å; T292-K302 WeakPolarHBondContact OG1-CD 3.46Å; M297-K302 HydrophobicContact SD-CB 4.34Å; N299-K302 HydrophobicContact CB-CG 4.28Å; K302-Y304 PolarHBondContact O-N 2.76Å
303K91.1Very high81.5Confident55 Ų5584.7 Ų84.724%0.23944%0.442CS..SBendtrans-63.2-39.1-178.7176.461.6-173.6173.80113.9E301 F327 N328 D333E301-K303 PolarHBondContact O-N 3.31Å; K303-F327 WeakPolarHBondContact CD-O 3.3Å; K303-F327 PolarHBondContact NZ-O 3.35Å; K303-F327 PolarHBondContact O-N 3.47Å; K303-N328 PolarHBondContact NZ-O 2.91Å; K303-N328 VanDerWaalsContact NZ-O 3.16Å; K303-D333 VanDerWaalsContact CE-CG 3.44Å; K303-D333 WeakPolarHBondContact CE-OD1 3.26Å; K303-D333 WeakPolarHBondContact CE-OD2 3.47Å; K303-D333 IonicContact NZ-OD1 2.59Å; K303-D333 PolarHBondContact NZ-OD1 3.43Å; K303-D333 IonicContact NZ-OD2 3.18Å; K303-D333 PolarHBondContact NZ-OD2 2.8Å
304Y94Very high79.5Confident42 Ų4288.5 Ų88.517%0.16545%0.45CS..EExtended strand (participates in β ladder)trans-126.4134.2-172.9-61.1-71.5000110.9I289 T292 K302 L324 A325 I326 Y337I289-Y304 HydrophobicContact CG2-CD1 3.77Å; I289-Y304 HydrophobicContact CG2-CD2 3.59Å; I289-Y304 HydrophobicContact CG2-CE1 4.11Å; I289-Y304 HydrophobicContact CG2-CE2 3.95Å; I289-Y304 HydrophobicContact CG2-CG 3.5Å; T292-Y304 PolarHBondContact N-O 3.26Å; K302-Y304 PolarHBondContact O-N 2.76Å; Y304-L324 HydrophobicContact CD1-CD1 4.31Å; Y304-A325 WeakPolarHBondContact CA-O 3.33Å; Y304-I326 HydrophobicContact CD1-CB 4.32Å; Y304-I326 HydrophobicContact CD1-CG1 3.88Å; Y304-I326 HydrophobicContact CD1-CG2 4.11Å; Y304-I326 HydrophobicContact CE1-CB 4.28Å; Y304-I326 HydrophobicContact CE1-CD1 4.26Å; Y304-I326 HydrophobicContact CE1-CG1 3.86Å; Y304-I326 HydrophobicContact CE1-CG2 3.7Å; Y304-Y337 HydrophobicContact CE1-CE1 4.17Å
305C93.5Very high77.9Confident4 Ų488.1 Ų88.13%0.02745%0.445CS..EExtended strand (participates in β ladder)trans-126144.1166.592.70000112T292 C294 M297 L324 A325 F327T292-C305 CarbonylContact O-C 3.15Å; T292-C305 WeakPolarHBondContact O-CA 3.15Å; C294-C305 HydrophobicContact CB-CB 3.93Å; C294-C305 WeakPolarHBondContact CB-SG 3.46Å; C294-C305 WeakPolarHBondContact SG-CB 3.48Å; C294-C305 CovalentContact SG-SG 2.05Å; C294-C305 PolarHBondContact SG-SG 2.82Å; M297-C305 HydrophobicContact SD-CB 4.16Å; C305-L324 WeakPolarHBondContact O-CA 3.34Å; C305-A325 PolarHBondContact N-O 3.41Å; C305-A325 PolarHBondContact O-N 3.37Å; C305-A325 VanDerWaalsContact SG-CB 3.56Å; C305-F327 HydrophobicContact CB-CE2 4.11Å
306L95.1Very high76.5Confident43 Ų4382.5 Ų82.523%0.22542%0.417CS..EExtended strand (participates in β ladder)trans-116.5135.2-177.7-173.974000110.1W281 A291 T292 S293 C294 E308 K323W281-L306 VanDerWaalsContact CD1-CD1 3.47Å; A291-L306 HydrophobicContact CB-CB 3.9Å; T292-L306 PolarHBondContact O-N 2.73Å; S293-L306 WeakPolarHBondContact CA-O 3.36Å; C294-L306 PolarHBondContact N-O 2.78Å; C294-L306 VanDerWaalsContact N-O 3.08Å; C294-L306 VanDerWaalsContact SG-C 3.55Å; C294-L306 PolarHBondContact SG-N 3.03Å; C294-L306 VanDerWaalsContact SG-N 3.42Å; L306-E308 HydrophobicContact CD2-CG 4.14Å; L306-E308 HydrophobicContact CG-CG 4.13Å; L306-K323 WeakPolarHBondContact CA-O 3.42Å
307Q94.6Very high76.1Confident94 Ų9481 Ų8144%0.43941%0.405SS..EExtended strand (participates in β ladder)trans-130.9122.6170.1-170.8176.921.200109.7C294 K323C294-Q307 HydrophobicContact CB-CB 4.49Å; Q307-K323 PolarHBondContact N-O 3.49Å; Q307-K323 PolarHBondContact O-N 3.15Å
308E94Very high76.8Confident58 Ų5879.3 Ų79.327%0.27140%0.4SS..EExtended strand (participates in β ladder)trans-117.1121178.8-61.3-167.215800110.6L306 R310 T321 S322L306-E308 HydrophobicContact CD2-CG 4.14Å; L306-E308 HydrophobicContact CG-CG 4.13Å; E308-R310 IonicContact OE2-CZ 2.76Å; E308-R310 IonicContact OE2-NH1 3.4Å; E308-R310 PolarHBondContact OE2-NH1 2.74Å; E308-R310 IonicContact OE2-NH2 3.91Å; E308-R310 PolarHBondContact OE2-NH2 2.61Å; E308-T321 WeakPolarHBondContact CA-O 3.43Å; E308-S322 PolarHBondContact OE1-OG 2.95Å
309H92.2Very high77.7Confident125 Ų12575.9 Ų75.958%0.57938%0.375SS*.EExtended strand (participates in β ladder)trans-102.2108173.6-174.370.6000109.6T321H309-T321 PolarHBondContact N-O 3.07Å; H309-T321 PolarHBondContact O-N 3.21Å; H309-T321 VanDerWaalsContact O-N 3.13Å
310R89.7Confident79.1Confident110 Ų11072.1 Ų72.142%0.41536%0.355SS..  trans-99.4115.7170.9-70.5-174176.771.57.3108.8E308 Q312 I320E308-R310 IonicContact OE2-CZ 2.76Å; E308-R310 IonicContact OE2-NH1 3.4Å; E308-R310 PolarHBondContact OE2-NH1 2.74Å; E308-R310 IonicContact OE2-NH2 3.91Å; E308-R310 PolarHBondContact OE2-NH2 2.61Å; R310-Q312 PolarHBondContact O-N 2.76Å; R310-I320 HydrophobicContact CG-CD1 4.15Å; R310-I320 HydrophobicContact CG-CG1 4.12Å; R310-I320 HydrophobicContact CG-CG2 3.83Å
311P82Confident80.7Confident44 Ų4468 Ų6829%0.28632%0.324SS..  trans-58.5133.7176.5-25.637000110.6S313P311-S313 PolarHBondContact O-N 2.86Å
312Q69.3Low82.3Confident205 Ų20560.2 Ų60.296%0.95829%0.288SS*.  trans-72.3-14.4178.5-67.9-169.4-12.600113.1R310R310-Q312 PolarHBondContact O-N 2.76Å
313S61.1Low83.3Confident34 Ų3461.1 Ų61.124%0.23829%0.292CS..SBendtrans-74.2134.4-175.9-179.60000112L180 P311 N315L180-S313 WeakPolarHBondContact CD2-OG 3.45Å; P311-S313 PolarHBondContact O-N 2.86Å; S313-N315 PolarHBondContact O-N 2.93Å; S313-N315 PolarHBondContact OG-N 2.92Å; S313-N315 VanDerWaalsContact OG-N 3.13Å; S313-N315 PolarHBondContact OG-OD1 3.04Å
314Y50.6Low83.6Confident130 Ų13058.5 Ų58.551%0.5128%0.281SS..  trans-61.7-1169.1-164.1-95.7000113.3S316Y314-S316 VanDerWaalsContact C-N 3.34Å; Y314-S316 PolarHBondContact O-N 2.95Å
315N54.5Low83.6Confident27 Ų2757 Ų5714%0.14428%0.277CS..  trans-57.599.5163.5-77.927.4000109.1P179 L180 S313 L317 S318P179-N315 WeakPolarHBondContact CB-OD1 3.4Å; P179-N315 WeakPolarHBondContact CD-OD1 3.24Å; P179-N315 WeakPolarHBondContact CG-OD1 3.49Å; L180-N315 WeakPolarHBondContact CD1-ND2 3.36Å; L180-N315 WeakPolarHBondContact CG-ND2 3.47Å; S313-N315 PolarHBondContact O-N 2.93Å; S313-N315 PolarHBondContact OG-N 2.92Å; S313-N315 VanDerWaalsContact OG-N 3.13Å; S313-N315 PolarHBondContact OG-OD1 3.04Å; N315-L317 PolarHBondContact O-N 3.47Å; N315-S318 WeakPolarHBondContact CB-OG 3.14Å; N315-S318 WeakPolarHBondContact O-CB 3.47Å; N315-S318 PolarHBondContact O-N 2.82Å; N315-S318 PolarHBondContact O-OG 3.49Å
316S58.5Low83.8Confident12 Ų1256.9 Ų56.98%0.08428%0.276CS..THydrogen-bonded Turntrans-55.5-15174.8176.30000113.8N221 H274 Y314N221-S316 WeakPolarHBondContact ND2-CB 3.32Å; N221-S316 PolarHBondContact ND2-OG 3.42Å; H274-S316 VanDerWaalsContact CB-OG 3.25Å; H274-S316 WeakPolarHBondContact CB-OG 3.46Å; H274-S316 PolarHBondContact CD2-OG 2.93Å; H274-S316 PolarHBondContact CE1-OG 2.82Å; H274-S316 PolarHBondContact ND1-OG 2.9Å; Y314-S316 VanDerWaalsContact C-N 3.34Å; Y314-S316 PolarHBondContact O-N 2.95Å
317L71.8Confident83.7Confident68 Ų6857.7 Ų57.736%0.35628%0.278SS..THydrogen-bonded Turntrans-85.9-3.5177.7-65.2129.5000114.3R218 K219 N315 E319R218-L317 HydrophobicContact CG-CD2 4.01Å; K219-L317 HydrophobicContact CG-CD2 3.7Å; N315-L317 PolarHBondContact O-N 3.47Å; L317-E319 PolarHBondContact O-N 2.82Å
318S82.8Confident83.6Confident39 Ų3957.6 Ų57.627%0.27328%0.281SS..  trans-74.8115.6-175.4-40.80000109.9N315N315-S318 WeakPolarHBondContact CB-OG 3.14Å; N315-S318 WeakPolarHBondContact O-CB 3.47Å; N315-S318 PolarHBondContact O-N 2.82Å; N315-S318 PolarHBondContact O-OG 3.49Å
319E90.3Very high83.6Confident60 Ų6054.9 Ų54.928%0.2827%0.268SS..PPolyproline II helixtrans-69.8132.1-179.5-61.2-176.3155.700110.9K251 V271 L317K251-E319 IonicContact NZ-OE1 2.7Å; K251-E319 PolarHBondContact NZ-OE1 3.07Å; V271-E319 CarbonylContact O-C 3.41Å; V271-E319 WeakPolarHBondContact O-CA 3.44Å; L317-E319 PolarHBondContact O-N 2.82Å
320I93.2Very high83.7Confident12 Ų1255.3 Ų55.36%0.06227%0.268CS..EExtended strand (participates in β ladder)trans-77.8128.8172.3-58.1170.8000107.7Q270 V271 P276 I279 R310Q270-I320 CarbonylContact C-O 3.57Å; Q270-I320 WeakPolarHBondContact CA-O 3.47Å; V271-I320 HydrophobicContact CB-CB 4.31Å; V271-I320 PolarHBondContact N-O 2.99Å; V271-I320 PolarHBondContact O-N 2.89Å; P276-I320 HydrophobicContact CB-CD1 3.91Å; I279-I320 HydrophobicContact CD1-CB 4.34Å; I279-I320 HydrophobicContact CD1-CG2 3.65Å; R310-I320 HydrophobicContact CG-CD1 4.15Å; R310-I320 HydrophobicContact CG-CG1 4.12Å; R310-I320 HydrophobicContact CG-CG2 3.83Å
321T95.7Very high83.8Confident31 Ų3154.9 Ų54.919%0.1928%0.277CS..EExtended strand (participates in β ladder)trans-102.3122.5175.1-57.70000109.6T268 C269 E308 H309 K323T268-T321 HydrophobicContact CG2-CG2 3.68Å; C269-T321 WeakPolarHBondContact O-CA 3.36Å; E308-T321 WeakPolarHBondContact CA-O 3.43Å; H309-T321 PolarHBondContact N-O 3.07Å; H309-T321 PolarHBondContact O-N 3.21Å; H309-T321 VanDerWaalsContact O-N 3.13Å; T321-K323 HydrophobicContact CG2-CG 4.19Å
322S97Very high84.4Confident0 Ų055.6 Ų55.60%029%0.292CS..EExtended strand (participates in β ladder)trans-114.2126.2172.9-176.90000109.3T268 C269 W281 E308T268-S322 WeakPolarHBondContact CA-O 3.3Å; C269-S322 PolarHBondContact N-O 2.02Å; C269-S322 PolarHBondContact O-N 3.45Å; W281-S322 PolarHBondContact NE1-OG 3.06Å; E308-S322 PolarHBondContact OE1-OG 2.95Å
323K97.3Very high85.6Confident91 Ų9146.7 Ų46.740%0.39625%0.252SS..EExtended strand (participates in β ladder)trans-117123.2-179.5-63.7-175.1179.7175.80110V266 L267 T268 L306 Q307 T321V266-K323 HydrophobicContact CG1-CB 4.06Å; V266-K323 HydrophobicContact CG1-CD 4.48Å; L267-K323 CarbonylContact O-C 3.5Å; L267-K323 VanDerWaalsContact O-CA 3.23Å; L267-K323 WeakPolarHBondContact O-CA 3.36Å; T268-K323 HydrophobicContact CG2-CG 3.99Å; L306-K323 WeakPolarHBondContact CA-O 3.42Å; Q307-K323 PolarHBondContact N-O 3.49Å; Q307-K323 PolarHBondContact O-N 3.15Å; T321-K323 HydrophobicContact CG2-CG 4.19Å
324L97.6Very high87.4Confident0 Ų046.8 Ų46.80%025%0.248CC..EExtended strand (participates in β ladder)trans-106.9110.8173179.270000109.2V266 L267 W281 I289 A291 Y304 C305 I326 Y337V266-L324 WeakPolarHBondContact CA-O 3.24Å; L267-L324 HydrophobicContact CB-CB 4.38Å; L267-L324 HydrophobicContact CD1-CD2 4.31Å; L267-L324 PolarHBondContact N-O 3.48Å; L267-L324 PolarHBondContact O-N 2.91Å; W281-L324 HydrophobicContact CB-CD2 4.07Å; W281-L324 HydrophobicContact CD2-CB 3.84Å; W281-L324 HydrophobicContact CD2-CD2 3.86Å; W281-L324 HydrophobicContact CD2-CG 4.42Å; W281-L324 HydrophobicContact CE3-CB 4.18Å; W281-L324 HydrophobicContact CE3-CD2 3.79Å; W281-L324 HydrophobicContact CG-CB 4.26Å; W281-L324 HydrophobicContact CG-CD2 4.01Å; W281-L324 HydrophobicContact CH2-CB 4.31Å; W281-L324 HydrophobicContact CZ2-CB 3.99Å; W281-L324 HydrophobicContact CZ3-CB 4.4Å; W281-L324 HydrophobicContact CZ3-CD2 4.48Å; I289-L324 HydrophobicContact CD1-CD2 3.68Å; I289-L324 HydrophobicContact CG2-CD1 4.22Å; I289-L324 HydrophobicContact CG2-CD2 4.38Å; A291-L324 HydrophobicContact CB-CD1 3.8Å; Y304-L324 HydrophobicContact CD1-CD1 4.31Å; C305-L324 WeakPolarHBondContact O-CA 3.34Å; L324-I326 HydrophobicContact CG-CG1 4.37Å; L324-Y337 HydrophobicContact CD2-CD1 4.04Å; L324-Y337 HydrophobicContact CD2-CE1 4.42Å
325A95.6Very high89.6Confident11 Ų1141.3 Ų41.39%0.09123%0.231CC..EExtended strand (participates in β ladder)trans-88.4138170.900000110.5T265 V266 Y304 C305 F327T265-A325 CarbonylContact O-C 3.59Å; T265-A325 WeakPolarHBondContact O-CA 3.4Å; V266-A325 HydrophobicContact CG2-CB 4.05Å; Y304-A325 WeakPolarHBondContact CA-O 3.33Å; C305-A325 PolarHBondContact N-O 3.41Å; C305-A325 PolarHBondContact O-N 3.37Å; C305-A325 VanDerWaalsContact SG-CB 3.56Å; A325-F327 HydrophobicContact CB-CE2 4.01Å; A325-F327 HydrophobicContact CB-CZ 3.95Å
326I95.9Very high91.6Very high0 Ų042.2 Ų42.20%024%0.236CC..EExtended strand (participates in β ladder)trans-124.1118.7179.2-47.5173.3000107.2N264 T265 L267 Y304 L324 L329 Y337 L354N264-I326 CarbonylContact C-O 3.56Å; N264-I326 VanDerWaalsContact CA-O 3.3Å; N264-I326 WeakPolarHBondContact CA-O 3.42Å; T265-I326 HydrophobicContact CG2-CB 3.83Å; T265-I326 HydrophobicContact CG2-CD1 3.92Å; T265-I326 HydrophobicContact CG2-CG1 4.16Å; T265-I326 PolarHBondContact N-O 3.07Å; T265-I326 PolarHBondContact O-N 3.01Å; L267-I326 HydrophobicContact CD1-CD1 3.95Å; L267-I326 HydrophobicContact CG-CD1 4.19Å; Y304-I326 HydrophobicContact CD1-CB 4.32Å; Y304-I326 HydrophobicContact CD1-CG1 3.88Å; Y304-I326 HydrophobicContact CD1-CG2 4.11Å; Y304-I326 HydrophobicContact CE1-CB 4.28Å; Y304-I326 HydrophobicContact CE1-CD1 4.26Å; Y304-I326 HydrophobicContact CE1-CG1 3.86Å; Y304-I326 HydrophobicContact CE1-CG2 3.7Å; L324-I326 HydrophobicContact CG-CG1 4.37Å; I326-L329 HydrophobicContact CB-CD2 4.3Å; I326-L329 HydrophobicContact CG2-CD2 3.65Å; I326-Y337 HydrophobicContact CD1-CD1 4.04Å; I326-Y337 HydrophobicContact CD1-CD2 4.45Å; I326-Y337 HydrophobicContact CD1-CE1 3.48Å; I326-Y337 VanDerWaalsContact CD1-CE1 3.48Å; I326-Y337 HydrophobicContact CD1-CE2 3.91Å; I326-Y337 VanDerWaalsContact CD1-CZ 3.4Å; I326-L354 HydrophobicContact CD1-CD2 4.39Å
327F93.2Very high93.5Very high60 Ų6041.7 Ų41.726%0.26323%0.232SC..  trans-99.2147.1-176-62.9-76.4000112N264 M297 K303 C305 A325N264-F327 HydrophobicContact CB-CD1 4.11Å; N264-F327 WeakPolarHBondContact OD1-CA 3.23Å; M297-F327 HydrophobicContact CE-CE2 3.99Å; M297-F327 HydrophobicContact CE-CZ 4Å; M297-F327 HydrophobicContact SD-CE2 4.09Å; K303-F327 WeakPolarHBondContact CD-O 3.3Å; K303-F327 PolarHBondContact NZ-O 3.35Å; K303-F327 PolarHBondContact O-N 3.47Å; C305-F327 HydrophobicContact CB-CE2 4.11Å; A325-F327 HydrophobicContact CB-CE2 4.01Å; A325-F327 HydrophobicContact CB-CZ 3.95Å
328N92.5Very high94.8Very high93 Ų9338.7 Ų38.750%0.49722%0.216SC..SBendtrans47.571.5173.4-173.114.9000112.6G262 M263 N264 K303 K330G262-N328 WeakPolarHBondContact CA-OD1 3.25Å; M263-N328 PolarHBondContact O-N 2.86Å; N264-N328 PolarHBondContact OD1-N 2.83Å; K303-N328 PolarHBondContact NZ-O 2.91Å; K303-N328 VanDerWaalsContact NZ-O 3.16Å; N328-K330 PolarHBondContact O-N 2.76Å
329L95Very high95.5Very high0 Ų036.9 Ų36.90%020%0.203CC..  trans-60.6133.2-175.7-71.5172.3000113Q259 I261 G262 M263 T265 I326 D333 L354Q259-L329 HydrophobicContact CB-CD1 3.61Å; Q259-L329 HydrophobicContact CG-CD1 3.39Å; I261-L329 CarbonylContact C-O 3.58Å; I261-L329 WeakPolarHBondContact CA-O 3.17Å; I261-L329 WeakPolarHBondContact CG2-O 3.34Å; G262-L329 PolarHBondContact N-O 3.28Å; M263-L329 VanDerWaalsContact O-CG 3.25Å; M263-L329 WeakPolarHBondContact O-CG 3.38Å; M263-L329 PolarHBondContact O-N 2.82Å; T265-L329 HydrophobicContact CG2-CD1 4.06Å; T265-L329 HydrophobicContact CG2-CD2 4.14Å; T265-L329 HydrophobicContact CG2-CG 4.46Å; I326-L329 HydrophobicContact CB-CD2 4.3Å; I326-L329 HydrophobicContact CG2-CD2 3.65Å; L329-D333 HydrophobicContact CD2-CB 3.8Å; L329-L354 HydrophobicContact CD1-CD2 4.22Å; L329-L354 HydrophobicContact CD2-CD2 3.64Å
330K94Very high95.9Very high135 Ų13535.3 Ų35.359%0.58720%0.199SC*.  trans-115.3168.1175.4-59.6-178-179179.20109.7N328 G332 D333 F334N328-K330 PolarHBondContact O-N 2.76Å; K330-G332 PolarHBondContact O-N 2.87Å; K330-D333 WeakPolarHBondContact CA-OD2 3.47Å; K330-D333 WeakPolarHBondContact CB-OD2 3.2Å; K330-D333 PolarHBondContact N-OD2 2.73Å; K330-D333 WeakPolarHBondContact O-CB 3.5Å; K330-D333 PolarHBondContact O-N 2.84Å; K330-F334 WeakPolarHBondContact O-CD2 3.03Å; K330-F334 WeakPolarHBondContact O-CE2 3.29Å
331V92.8Very high96Very high101 Ų10134.8 Ų34.861%0.61220%0.196SC*.G310 helixtrans-56.3-36.5-179.3-178.90000112.4I261 D333 F334I261-V331 HydrophobicContact CD1-CG2 3.85Å; V331-D333 VanDerWaalsContact C-N 3.28Å; V331-D333 PolarHBondContact O-N 2.82Å; V331-F334 WeakPolarHBondContact O-CD2 3.02Å
332G93.7Very high96.1Very high58 Ų5835 Ų3560%0.59820%0.199SC*.G310 helixtrans-75.9-6.7179.100000115.6F283 K330F283-G332 WeakPolarHBondContact CZ-O 3.04Å; K330-G332 PolarHBondContact O-N 2.87Å
333D95.7Very high96Very high19 Ų1936 Ų3610%0.10221%0.206CC..G310 helixtrans-90-11.4179-57.3-50.9000112.5K303 L329 K330 V331 Y337K303-D333 VanDerWaalsContact CE-CG 3.44Å; K303-D333 WeakPolarHBondContact CE-OD1 3.26Å; K303-D333 WeakPolarHBondContact CE-OD2 3.47Å; K303-D333 IonicContact NZ-OD1 2.59Å; K303-D333 PolarHBondContact NZ-OD1 3.43Å; K303-D333 IonicContact NZ-OD2 3.18Å; K303-D333 PolarHBondContact NZ-OD2 2.8Å; L329-D333 HydrophobicContact CD2-CB 3.8Å; K330-D333 WeakPolarHBondContact CA-OD2 3.47Å; K330-D333 WeakPolarHBondContact CB-OD2 3.2Å; K330-D333 PolarHBondContact N-OD2 2.73Å; K330-D333 WeakPolarHBondContact O-CB 3.5Å; K330-D333 PolarHBondContact O-N 2.84Å; V331-D333 VanDerWaalsContact C-N 3.28Å; V331-D333 PolarHBondContact O-N 2.82Å; D333-Y337 VanDerWaalsContact O-CE2 3.25Å; D333-Y337 WeakPolarHBondContact O-CE2 3.34Å; D333-Y337 PolarHBondContact O-OH 2.84Å
334F96.9Very high95.9Very high36 Ų3637.9 Ų37.916%0.15822%0.219CC..  trans-77.8129176.4-62.4-74000110Q259 I261 K330 V331 L354 Q355 R356Q259-F334 WeakPolarHBondContact O-CE1 3.34Å; Q259-F334 WeakPolarHBondContact O-CZ 3.49Å; I261-F334 HydrophobicContact CG1-CE2 3.92Å; I261-F334 HydrophobicContact CG1-CZ 4.2Å; K330-F334 WeakPolarHBondContact O-CD2 3.03Å; K330-F334 WeakPolarHBondContact O-CE2 3.29Å; V331-F334 WeakPolarHBondContact O-CD2 3.02Å; F334-L354 WeakPolarHBondContact CA-O 3.48Å; F334-L354 HydrophobicContact CD1-CD2 4.46Å; F334-L354 HydrophobicContact CD1-CG 4.02Å; F334-L354 HydrophobicContact CE1-CG 4.39Å; F334-Q355 VanDerWaalsContact CD1-C 3.43Å; F334-R356 HydrophobicContact CD1-CB 3.94Å; F334-R356 VanDerWaalsContact CD1-N 3.31Å; F334-R356 HydrophobicContact CD2-CB 4.16Å; F334-R356 VanDerWaalsContact CE1-CA 3.43Å; F334-R356 HydrophobicContact CE1-CB 3.81Å; F334-R356 HydrophobicContact CE1-CG 4.33Å; F334-R356 HydrophobicContact CE2-CB 4.02Å; F334-R356 HydrophobicContact CE2-CG 4.11Å; F334-R356 HydrophobicContact CG-CB 4.12Å; F334-R356 HydrophobicContact CZ-CB 3.84Å; F334-R356 HydrophobicContact CZ-CG 3.92Å
335G96.8Very high95.8Very high15 Ų1540.4 Ų40.416%0.15523%0.231CC..EExtended strand (participates in β ladder)trans160.9-165.4-173.900000112.4L354G335-L354 PolarHBondContact N-O 2.94Å; G335-L354 VanDerWaalsContact N-O 3.11Å; G335-L354 PolarHBondContact O-N 2.85Å
336D98Very high95.9Very high46 Ų4641.3 Ų41.325%0.24624%0.242CC..EExtended strand (participates in β ladder)trans-93.7121.8-177.1-70.6-25.9000110.9F283 N284 H285 V351 T353F283-D336 CarbonylContact C-O 3.6Å; N284-D336 WeakPolarHBondContact CA-O 3.48Å; N284-D336 PolarHBondContact N-O 3Å; N284-D336 PolarHBondContact OD1-N 2.75Å; H285-D336 IonicContact CE1-OD2 2.8Å; H285-D336 PolarHBondContact CE1-OD2 3.12Å; D336-V351 HydrophobicContact CB-CG1 3.84Å; D336-T353 VanDerWaalsContact OD1-CB 3.29Å; D336-T353 WeakPolarHBondContact OD1-CB 3.36Å; D336-T353 VanDerWaalsContact OD1-CG2 3.29Å; D336-T353 WeakPolarHBondContact OD1-CG2 3.24Å; D336-T353 PolarHBondContact OD1-OG1 2.96Å
337Y98.3Very high95.9Very high0 Ų048.7 Ų48.70%028%0.276CS..EExtended strand (participates in β ladder)trans-103.7122.6174.3-73.7-95.3000109.6L267 L282 F283 I289 Y304 L324 I326 D333 V351 T352 L354L267-Y337 HydrophobicContact CD1-CD1 3.65Å; L267-Y337 HydrophobicContact CD1-CD2 3.85Å; L267-Y337 HydrophobicContact CD1-CE1 4.49Å; L267-Y337 HydrophobicContact CD1-CG 3.29Å; L282-Y337 CarbonylContact O-C 3.49Å; L282-Y337 WeakPolarHBondContact O-CA 3.37Å; F283-Y337 HydrophobicContact CD2-CD1 4.21Å; F283-Y337 HydrophobicContact CD2-CD2 4.17Å; F283-Y337 AromaticContact CD2-CE1 3.79Å; F283-Y337 HydrophobicContact CD2-CE1 3.79Å; F283-Y337 AromaticContact CD2-CE2 3.77Å; F283-Y337 HydrophobicContact CD2-CE2 3.77Å; F283-Y337 HydrophobicContact CD2-CG 4.37Å; F283-Y337 AromaticContact CD2-CZ 3.55Å; F283-Y337 HydrophobicContact CE2-CD2 4.41Å; F283-Y337 HydrophobicContact CE2-CE1 4.5Å; F283-Y337 AromaticContact CE2-CE2 3.78Å; F283-Y337 HydrophobicContact CE2-CE2 3.78Å; F283-Y337 AromaticContact CE2-CZ 3.81Å; I289-Y337 HydrophobicContact CD1-CD1 3.42Å; I289-Y337 VanDerWaalsContact CD1-CD1 3.42Å; I289-Y337 HydrophobicContact CD1-CE1 3.51Å; Y304-Y337 HydrophobicContact CE1-CE1 4.17Å; L324-Y337 HydrophobicContact CD2-CD1 4.04Å; L324-Y337 HydrophobicContact CD2-CE1 4.42Å; I326-Y337 HydrophobicContact CD1-CD1 4.04Å; I326-Y337 HydrophobicContact CD1-CD2 4.45Å; I326-Y337 HydrophobicContact CD1-CE1 3.48Å; I326-Y337 VanDerWaalsContact CD1-CE1 3.48Å; I326-Y337 HydrophobicContact CD1-CE2 3.91Å; I326-Y337 VanDerWaalsContact CD1-CZ 3.4Å; D333-Y337 VanDerWaalsContact O-CE2 3.25Å; D333-Y337 WeakPolarHBondContact O-CE2 3.34Å; D333-Y337 PolarHBondContact O-OH 2.84Å; Y337-V351 WeakPolarHBondContact O-CA 3.43Å; Y337-T352 PolarHBondContact N-O 3.08Å; Y337-T352 PolarHBondContact O-N 3.01Å; Y337-L354 HydrophobicContact CD2-CB 4.02Å; Y337-L354 HydrophobicContact CE2-CB 3.91Å; Y337-L354 HydrophobicContact CE2-CD2 3.9Å
338V98.2Very high96.1Very high6 Ų647.4 Ų47.44%0.03627%0.274CS..EExtended strand (participates in β ladder)trans-109.7120.6-173.5-174.40000109.2W281 L282 H285 F349 G350 V351W281-V338 CarbonylContact C-O 3.6Å; W281-V338 VanDerWaalsContact CA-O 3.29Å; W281-V338 WeakPolarHBondContact CA-O 3.48Å; L282-V338 HydrophobicContact CB-CB 4.26Å; L282-V338 HydrophobicContact CD1-CB 4.33Å; L282-V338 HydrophobicContact CD1-CG1 4.32Å; L282-V338 PolarHBondContact N-O 2.82Å; L282-V338 PolarHBondContact O-N 2.67Å; H285-V338 HydrophobicContact CB-CG2 4.35Å; V338-F349 HydrophobicContact CG1-CB 3.78Å; V338-F349 HydrophobicContact CG1-CD2 3.87Å; V338-F349 HydrophobicContact CG1-CG 4.13Å; V338-G350 CarbonylContact C-O 3.56Å; V338-G350 VanDerWaalsContact CA-O 3.29Å; V338-G350 WeakPolarHBondContact CA-O 3.13Å; V338-V351 HydrophobicContact CG1-CG2 4.44Å; V338-V351 HydrophobicContact CG2-CG1 4.36Å; V338-V351 HydrophobicContact CG2-CG2 4.06Å
339C98.1Very high96.4Very high0 Ų049 Ų490%028%0.277CS..EExtended strand (participates in β ladder)trans-93.3107.6166.41710000107.4V250 M252 C269 W281 F349 G350V250-C339 HydrophobicContact CG1-CB 4.3Å; M252-C339 HydrophobicContact CE-CB 4.12Å; M252-C339 HydrophobicContact SD-CB 3.84Å; C269-C339 HydrophobicContact CB-CB 3.54Å; C269-C339 WeakPolarHBondContact CB-SG 3.47Å; C269-C339 WeakPolarHBondContact SG-CB 3.3Å; C269-C339 CovalentContact SG-SG 2.06Å; C269-C339 PolarHBondContact SG-SG 3.29Å; W281-C339 HydrophobicContact CD2-CB 4.13Å; W281-C339 HydrophobicContact CE3-CB 4.03Å; W281-C339 HydrophobicContact CH2-CB 3.85Å; W281-C339 HydrophobicContact CZ2-CB 3.94Å; W281-C339 HydrophobicContact CZ3-CB 3.89Å; C339-F349 CarbonylContact O-C 3.56Å; C339-F349 WeakPolarHBondContact O-CA 3.31Å; C339-G350 PolarHBondContact N-O 2.73Å; C339-G350 PolarHBondContact O-N 3.34Å
340S97.5Very high96.5Very high27 Ų2749.4 Ų49.419%0.18928%0.282CS..EExtended strand (participates in β ladder)trans-105.8140.1-178.9178.80000110.7I279 R280I279-S340 CarbonylContact C-O 3.59Å; I279-S340 WeakPolarHBondContact CA-O 3.49Å; R280-S340 PolarHBondContact N-O 2.94Å; R280-S340 PolarHBondContact O-N 3.09Å
341V97Very high96.7Very high1 Ų145 Ų451%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-130.2126-177.9-1760000109.5P248 V250 V271 S278 I279 T343 E347 S348P248-V341 HydrophobicContact CB-CB 4.21Å; P248-V341 HydrophobicContact CB-CG1 3.87Å; V250-V341 HydrophobicContact CG2-CB 4.08Å; V250-V341 HydrophobicContact CG2-CG2 3.55Å; V271-V341 HydrophobicContact CB-CG2 4.29Å; V271-V341 HydrophobicContact CG1-CB 4.25Å; V271-V341 HydrophobicContact CG1-CG1 3.78Å; V271-V341 HydrophobicContact CG1-CG2 3.7Å; V271-V341 HydrophobicContact CG2-CG2 3.57Å; S278-V341 VanDerWaalsContact O-CA 3.32Å; S278-V341 WeakPolarHBondContact O-CA 3.28Å; I279-V341 HydrophobicContact CG1-CG2 4.08Å; I279-V341 HydrophobicContact CG2-CG2 4.42Å; V341-T343 HydrophobicContact CG1-CG2 4.27Å; V341-E347 VanDerWaalsContact O-CA 3.27Å; V341-E347 WeakPolarHBondContact O-CA 3.33Å; V341-S348 PolarHBondContact N-O 3.21Å; V341-S348 PolarHBondContact O-N 3.07Å
342S96.6Very high97Very high35 Ų3540.2 Ų40.225%0.24524%0.237CC..EExtended strand (participates in β ladder)trans-118127.5176.3540000111.4G277 S278G277-S342 CarbonylContact C-O 3.51Å; G277-S342 WeakPolarHBondContact CA-O 3.36Å; S278-S342 PolarHBondContact N-O 3.16Å; S278-S342 PolarHBondContact O-N 2.82Å; S278-S342 PolarHBondContact OG-OG 3.06Å
343T95.8Very high97.2Very high23 Ų2339.4 Ų39.414%0.14122%0.22CC..EExtended strand (participates in β ladder)trans-130.6169.8178.271.90000109.6P248 A273 V341 M345 G346P248-T343 HydrophobicContact CB-CG2 4.03Å; P248-T343 WeakPolarHBondContact CD-OG1 3.25Å; P248-T343 HydrophobicContact CG-CG2 3.99Å; A273-T343 HydrophobicContact CB-CG2 3.93Å; V341-T343 HydrophobicContact CG1-CG2 4.27Å; T343-M345 PolarHBondContact O-N 2.89Å; T343-M345 PolarHBondContact OG1-N 3.21Å; T343-G346 PolarHBondContact N-O 3.1Å; T343-G346 PolarHBondContact O-N 2.65Å; T343-G346 VanDerWaalsContact O-N 3.15Å; T343-G346 VanDerWaalsContact O-O 3.14Å; T343-G346 PolarHBondContact OG1-N 2.86Å; T343-G346 PolarHBondContact OG1-O 2.69Å
344I95.6Very high97.3Very high130 Ų13038.6 Ų38.667%0.66722%0.216SC*.THydrogen-bonded Turntrans-64.4-16.8169.666172000113.3P275P275-I344 HydrophobicContact CG-CD1 3.69Å; P275-I344 HydrophobicContact CG-CG1 3.64Å
345M95Very high97.3Very high52 Ų5240.4 Ų40.426%0.25623%0.225SC..THydrogen-bonded Turntrans-92.31.7178.9-56.6-54.6-62.200112.4R245 T343R245-M345 HydrophobicContact CB-CE 3.94Å; R245-M345 HydrophobicContact CB-CG 4.24Å; R245-M345 HydrophobicContact CB-SD 3.87Å; T343-M345 PolarHBondContact O-N 2.89Å; T343-M345 PolarHBondContact OG1-N 3.21Å
346G96.7Very high97.1Very high31 Ų3145.5 Ų45.532%0.3224%0.239SC..EExtended strand (participates in β ladder)trans124.1-170.7-178.900000113.4P248 T343P248-G346 WeakPolarHBondContact CG-O 3.28Å; T343-G346 PolarHBondContact N-O 3.1Å; T343-G346 PolarHBondContact O-N 2.65Å; T343-G346 VanDerWaalsContact O-N 3.15Å; T343-G346 VanDerWaalsContact O-O 3.14Å; T343-G346 PolarHBondContact OG1-N 2.86Å; T343-G346 PolarHBondContact OG1-O 2.69Å
347E96.8Very high96.6Very high154 Ų15448.6 Ų48.672%0.7225%0.251SS*.EExtended strand (participates in β ladder)trans-124.5150.1-174.8-57.3-173.9174.400111.1V341V341-E347 VanDerWaalsContact O-CA 3.27Å; V341-E347 WeakPolarHBondContact O-CA 3.33Å
348S97.9Very high95.5Very high33 Ų3355.2 Ų55.223%0.23128%0.28CS..EExtended strand (participates in β ladder)trans-154.2154.9177.9-173.80000109.8P248 V341P248-S348 WeakPolarHBondContact O-CB 3.43Å; P248-S348 PolarHBondContact O-OG 2.99Å; V341-S348 PolarHBondContact N-O 3.21Å; V341-S348 PolarHBondContact O-N 3.07Å
349F97.9Very high94.1Very high127 Ų12757.9 Ų57.956%0.55730%0.296SS*.EExtended strand (participates in β ladder)trans-146.1155.118066.5-88.6000111.9V338 C339 V351V338-F349 HydrophobicContact CG1-CB 3.78Å; V338-F349 HydrophobicContact CG1-CD2 3.87Å; V338-F349 HydrophobicContact CG1-CG 4.13Å; C339-F349 CarbonylContact O-C 3.56Å; C339-F349 WeakPolarHBondContact O-CA 3.31Å; F349-V351 HydrophobicContact CD2-CG2 3.85Å; F349-V351 HydrophobicContact CE2-CG2 3.94Å
350G97.9Very high92.3Very high9 Ų966.1 Ų66.19%0.09334%0.335CS..EExtended strand (participates in β ladder)trans-125.3150.4171.200000110.4M252 V338 C339M252-G350 VanDerWaalsContact SD-C 3.55Å; V338-G350 CarbonylContact C-O 3.56Å; V338-G350 VanDerWaalsContact CA-O 3.29Å; V338-G350 WeakPolarHBondContact CA-O 3.13Å; C339-G350 PolarHBondContact N-O 2.73Å; C339-G350 PolarHBondContact O-N 3.34Å
351V98.4Very high90.3Very high42 Ų4274.8 Ų74.826%0.25536%0.363SS..EExtended strand (participates in β ladder)trans-123.7133.7-176.8-170.80000110.8D336 Y337 V338 F349D336-V351 HydrophobicContact CB-CG1 3.84Å; Y337-V351 WeakPolarHBondContact O-CA 3.43Å; V338-V351 HydrophobicContact CG1-CG2 4.44Å; V338-V351 HydrophobicContact CG2-CG1 4.36Å; V338-V351 HydrophobicContact CG2-CG2 4.06Å; F349-V351 HydrophobicContact CD2-CG2 3.85Å; F349-V351 HydrophobicContact CE2-CG2 3.94Å
352T98.3Very high88.1Confident1 Ų182 Ų821%0.00640%0.395CS..EExtended strand (participates in β ladder)trans-119.7122.1166.6-62.70000109.1M252 N254 R255 I257 L267 Y337M252-T352 WeakPolarHBondContact CE-OG1 3.4Å; N254-T352 WeakPolarHBondContact O-CB 3.49Å; N254-T352 VanDerWaalsContact O-CG2 3.27Å; N254-T352 WeakPolarHBondContact O-CG2 3.38Å; N254-T352 PolarHBondContact O-OG1 2.79Å; R255-T352 WeakPolarHBondContact O-CA 3.32Å; I257-T352 HydrophobicContact CD1-CG2 3.86Å; I257-T352 HydrophobicContact CG1-CG2 3.93Å; L267-T352 HydrophobicContact CD2-CG2 4.05Å; Y337-T352 PolarHBondContact N-O 3.08Å; Y337-T352 PolarHBondContact O-N 3.01Å
353T98.2Very high86.1Confident40 Ų4084.2 Ų84.225%0.24540%0.404CS..EExtended strand (participates in β ladder)trans-86.2117.3174.5-53.40000109.9R255 I256 I257 D336 Q355R255-T353 PolarHBondContact O-N 3.03Å; I256-T353 WeakPolarHBondContact CA-O 3.14Å; I257-T353 PolarHBondContact N-O 2.05Å; D336-T353 VanDerWaalsContact OD1-CB 3.29Å; D336-T353 WeakPolarHBondContact OD1-CB 3.36Å; D336-T353 VanDerWaalsContact OD1-CG2 3.29Å; D336-T353 WeakPolarHBondContact OD1-CG2 3.24Å; D336-T353 PolarHBondContact OD1-OG1 2.96Å; T353-Q355 HydrophobicContact CG2-CG 3.86Å
354L97.8Very high84.2Confident2 Ų286.9 Ų86.91%0.0142%0.42CS..EExtended strand (participates in β ladder)trans-87.7108.4172.5-174.664.2000109.4I257 Q259 T265 I326 L329 F334 G335 Y337I257-L354 HydrophobicContact CB-CD1 3.99Å; I257-L354 HydrophobicContact CG2-CD1 3.77Å; I257-L354 CarbonylContact O-C 3.57Å; I257-L354 WeakPolarHBondContact O-CA 3.49Å; Q259-L354 HydrophobicContact CB-CD1 4.08Å; T265-L354 HydrophobicContact CG2-CD1 4.07Å; T265-L354 HydrophobicContact CG2-CD2 3.95Å; I326-L354 HydrophobicContact CD1-CD2 4.39Å; L329-L354 HydrophobicContact CD1-CD2 4.22Å; L329-L354 HydrophobicContact CD2-CD2 3.64Å; F334-L354 WeakPolarHBondContact CA-O 3.48Å; F334-L354 HydrophobicContact CD1-CD2 4.46Å; F334-L354 HydrophobicContact CD1-CG 4.02Å; F334-L354 HydrophobicContact CE1-CG 4.39Å; G335-L354 PolarHBondContact N-O 2.94Å; G335-L354 VanDerWaalsContact N-O 3.11Å; G335-L354 PolarHBondContact O-N 2.85Å; Y337-L354 HydrophobicContact CD2-CB 4.02Å; Y337-L354 HydrophobicContact CE2-CB 3.91Å; Y337-L354 HydrophobicContact CE2-CD2 3.9Å
355Q95.6Very high82.7Confident74 Ų7484.8 Ų84.835%0.34641%0.41SS..EExtended strand (participates in β ladder)trans-102.3146.2-179.1-65.9-176.6-8.400111.3I256 I257 K258 Q259 F334 T353 F357I256-Q355 HydrophobicContact CG2-CB 4.46Å; I256-Q355 HydrophobicContact CG2-CG 3.93Å; I257-Q355 PolarHBondContact O-N 3.36Å; K258-Q355 CarbonylContact C-O 3.59Å; K258-Q355 WeakPolarHBondContact CA-O 3.42Å; K258-Q355 HydrophobicContact CG-CB 4.18Å; Q259-Q355 PolarHBondContact N-O 2.87Å; F334-Q355 VanDerWaalsContact CD1-C 3.43Å; T353-Q355 HydrophobicContact CG2-CG 3.86Å; Q355-F357 PolarHBondContact O-N 2.81Å
356R93.3Very high81.5Confident122 Ų12286.5 Ų86.546%0.4642%0.42SS..EExtended strand (participates in β ladder)trans-71.8123.8172.3-174.8174.5172.3-176.9-2.2110.1Q259 I261 F334 K358Q259-R356 CarbonylContact O-C 3.5Å; Q259-R356 WeakPolarHBondContact O-CA 3.4Å; I261-R356 VanDerWaalsContact CD1-CZ 3.46Å; F334-R356 HydrophobicContact CD1-CB 3.94Å; F334-R356 VanDerWaalsContact CD1-N 3.31Å; F334-R356 HydrophobicContact CD2-CB 4.16Å; F334-R356 VanDerWaalsContact CE1-CA 3.43Å; F334-R356 HydrophobicContact CE1-CB 3.81Å; F334-R356 HydrophobicContact CE1-CG 4.33Å; F334-R356 HydrophobicContact CE2-CB 4.02Å; F334-R356 HydrophobicContact CE2-CG 4.11Å; F334-R356 HydrophobicContact CG-CB 4.12Å; F334-R356 HydrophobicContact CZ-CB 3.84Å; F334-R356 HydrophobicContact CZ-CG 3.92Å; R356-K358 PolarHBondContact O-N 3.04Å
357F87Confident80Confident112 Ų11287.5 Ų87.549%0.49143%0.425SS..  trans-73.1114.5167.7-172.8-115.7000109K258 Q259 Q355 T359K258-F357 HydrophobicContact CB-CB 4.3Å; K258-F357 HydrophobicContact CB-CD2 4.27Å; Q259-F357 PolarHBondContact O-N 2.97Å; Q355-F357 PolarHBondContact O-N 2.81Å; F357-T359 HydrophobicContact CD1-CG2 4Å; F357-T359 HydrophobicContact CE1-CG2 3.42Å; F357-T359 VanDerWaalsContact CE1-CG2 3.42Å; F357-T359 HydrophobicContact CZ-CG2 4.14Å
358K76.4Confident78.9Confident139 Ų13986.4 Ų86.460%0.60442%0.42SS*.  trans-103.4117.8169.6-62.3-173.2-175.2-178.20107.8R356 E360R356-K358 PolarHBondContact O-N 3.04Å; K358-E360 PolarHBondContact O-N 2.83Å
359T67.5Low77.7Confident62 Ų6289.2 Ų89.238%0.3843%0.432SS..  trans-77109.6168.145.60000108.6F357 R361 F362 D363F357-T359 HydrophobicContact CD1-CG2 4Å; F357-T359 HydrophobicContact CE1-CG2 3.42Å; F357-T359 VanDerWaalsContact CE1-CG2 3.42Å; F357-T359 HydrophobicContact CZ-CG2 4.14Å; T359-R361 PolarHBondContact O-N 2.69Å; T359-R361 VanDerWaalsContact O-N 3.16Å; T359-F362 PolarHBondContact O-N 3.13Å; T359-F362 VanDerWaalsContact O-N 3.13Å; T359-F362 WeakPolarHBondContact OG1-CB 3.3Å; T359-D363 PolarHBondContact O-N 3.44Å
360E61.5Low76.4Confident172 Ų17288.6 Ų88.680%0.80443%0.432SS*.Hα-helixtrans-54.1-33.3178.4-70.9175.317200112.9K358 T364K358-E360 PolarHBondContact O-N 2.83Å; E360-T364 PolarHBondContact O-N 2.9Å; E360-T364 PolarHBondContact O-OG1 2.82Å
361R55.3Low75.3Confident209 Ų20994 Ų9479%0.78946%0.455SS*.Hα-helixtrans-69.7-36.7178-81-172.6-146.6-174.15.7114.4T359 T364 D365T359-R361 PolarHBondContact O-N 2.69Å; T359-R361 VanDerWaalsContact O-N 3.16Å; R361-T364 PolarHBondContact O-OG1 2.83Å; R361-D365 PolarHBondContact O-N 2.88Å
362F51.7Low74.3Confident153 Ų15397.6 Ų97.667%0.67147%0.469SS*.Hα-helixtrans-81.1-30.8-179.1-99.4-90.6000112.7T359 T364 L366T359-F362 PolarHBondContact O-N 3.13Å; T359-F362 VanDerWaalsContact O-N 3.13Å; T359-F362 WeakPolarHBondContact OG1-CB 3.3Å; F362-T364 VanDerWaalsContact C-N 3.31Å; F362-L366 WeakPolarHBondContact O-CB 3.41Å; F362-L366 PolarHBondContact O-N 2.93Å
363D53Low73.3Confident82 Ų82103 Ų10344%0.43949%0.492SS..Hα-helixtrans-68.3-34.7175.9-96.4-18.8000110.9T359 A367T359-D363 PolarHBondContact O-N 3.44Å; D363-A367 WeakPolarHBondContact O-CB 3.39Å; D363-A367 PolarHBondContact O-N 2.85Å
364T56.7Low72.4Confident78 Ų78107.1 Ų107.148%0.47951%0.508SS..Hα-helixtrans-67.9-49.1174.239.50000111.6E360 R361 F362 L366 A367 Q368E360-T364 PolarHBondContact O-N 2.9Å; E360-T364 PolarHBondContact O-OG1 2.82Å; R361-T364 PolarHBondContact O-OG1 2.83Å; F362-T364 VanDerWaalsContact C-N 3.31Å; T364-L366 PolarHBondContact O-N 2.76Å; T364-A367 PolarHBondContact O-N 3.47Å; T364-Q368 WeakPolarHBondContact O-CB 2.98Å; T364-Q368 VanDerWaalsContact O-CG 3.25Å; T364-Q368 WeakPolarHBondContact O-CG 3.41Å; T364-Q368 PolarHBondContact O-N 2.95Å
365D64.9Low71.3Confident87 Ų87111.1 Ų111.147%0.46553%0.529SS..Hα-helixtrans-62.6-42.5176.6-71-17.1000111.9R361 Q368 I369R361-D365 PolarHBondContact O-N 2.88Å; D365-Q368 PolarHBondContact O-N 3.15Å; D365-I369 WeakPolarHBondContact O-CB 3.33Å; D365-I369 WeakPolarHBondContact O-CD1 3.38Å; D365-I369 WeakPolarHBondContact O-CG1 3.31Å; D365-I369 PolarHBondContact O-N 3.4Å
366L67.9Low70.4Confident88 Ų88112.2 Ų112.246%0.46153%0.534SS..Hα-helixtrans-69.4-40.2179.4-17169.4000112.1F362 T364 Q368 I369 M370F362-L366 WeakPolarHBondContact O-CB 3.41Å; F362-L366 PolarHBondContact O-N 2.93Å; T364-L366 PolarHBondContact O-N 2.76Å; L366-Q368 VanDerWaalsContact C-N 3.35Å; L366-I369 PolarHBondContact O-N 3.14Å; L366-M370 HydrophobicContact CD2-CE 4.49Å; L366-M370 HydrophobicContact CG-CE 4.17Å; L366-M370 WeakPolarHBondContact O-CB 3.5Å; L366-M370 WeakPolarHBondContact O-CG 3.5Å; L366-M370 PolarHBondContact O-N 2.78Å
367A65.8Low69.5Low52 Ų52114.4 Ų114.443%0.4354%0.542SS..Hα-helixtrans-64.3-41.1174.600000111.3D363 T364 M370 H371D363-A367 WeakPolarHBondContact O-CB 3.39Å; D363-A367 PolarHBondContact O-N 2.85Å; T364-A367 PolarHBondContact O-N 3.47Å; A367-M370 PolarHBondContact O-N 2.9Å; A367-H371 VanDerWaalsContact O-CB 3.31Å; A367-H371 WeakPolarHBondContact O-CB 3.21Å; A367-H371 PolarHBondContact O-N 2.84Å
368Q72.9Confident68.8Low130 Ų130113.6 Ų113.661%0.60754%0.543SS*.Hα-helixtrans-62-46.8173.8-75.9179.1-1.200111.4T364 D365 L366 M370 H371 Q372T364-Q368 WeakPolarHBondContact O-CB 2.98Å; T364-Q368 VanDerWaalsContact O-CG 3.25Å; T364-Q368 WeakPolarHBondContact O-CG 3.41Å; T364-Q368 PolarHBondContact O-N 2.95Å; D365-Q368 PolarHBondContact O-N 3.15Å; L366-Q368 VanDerWaalsContact C-N 3.35Å; Q368-M370 PolarHBondContact O-N 3.08Å; Q368-H371 PolarHBondContact O-N 3.35Å; Q368-Q372 WeakPolarHBondContact O-CB 3.3Å; Q368-Q372 PolarHBondContact O-N 2.98Å
369I73.2Confident68.4Low93 Ų93109.9 Ų109.948%0.47753%0.534SS..Hα-helixtrans-63-40.9177.4-68.4162.8000111.6D365 L366 Q372 K373D365-I369 WeakPolarHBondContact O-CB 3.33Å; D365-I369 WeakPolarHBondContact O-CD1 3.38Å; D365-I369 WeakPolarHBondContact O-CG1 3.31Å; D365-I369 PolarHBondContact O-N 3.4Å; L366-I369 PolarHBondContact O-N 3.14Å; I369-Q372 PolarHBondContact O-N 3.43Å; I369-K373 PolarHBondContact O-N 3.45Å
370M70.1Confident68.3Low114 Ų114111.9 Ų111.956%0.56254%0.542SS*.Hα-helixtrans-66.1-42.1177-76.4-168.5-66.100112L366 A367 Q368 K373 Q374L366-M370 HydrophobicContact CD2-CE 4.49Å; L366-M370 HydrophobicContact CG-CE 4.17Å; L366-M370 WeakPolarHBondContact O-CB 3.5Å; L366-M370 WeakPolarHBondContact O-CG 3.5Å; L366-M370 PolarHBondContact O-N 2.78Å; A367-M370 PolarHBondContact O-N 2.9Å; Q368-M370 PolarHBondContact O-N 3.08Å; M370-K373 PolarHBondContact O-N 3.26Å; M370-Q374 PolarHBondContact O-N 3.22Å
371H74.9Confident68.4Low123 Ų123109.9 Ų109.957%0.56953%0.531SS*.Hα-helixtrans-63.8-43.8176.1-173-100000111.4A367 Q368 K373 Q374 I375A367-H371 VanDerWaalsContact O-CB 3.31Å; A367-H371 WeakPolarHBondContact O-CB 3.21Å; A367-H371 PolarHBondContact O-N 2.84Å; Q368-H371 PolarHBondContact O-N 3.35Å; H371-K373 PolarHBondContact O-N 3.1Å; H371-Q374 PolarHBondContact O-N 2.98Å; H371-Q374 VanDerWaalsContact O-N 3.14Å; H371-I375 VanDerWaalsContact CE1-CD1 3.43Å; H371-I375 WeakPolarHBondContact CE1-CD1 3.49Å; H371-I375 WeakPolarHBondContact O-CG1 3.46Å; H371-I375 PolarHBondContact O-N 3.35Å
372Q78.2Confident68.6Low117 Ų117104.7 Ų104.755%0.54752%0.516SS..Hα-helixtrans-55.8-50.5174.3-165.786.311.400111.1Q368 I369 Q374 I375 E376Q368-Q372 WeakPolarHBondContact O-CB 3.3Å; Q368-Q372 PolarHBondContact O-N 2.98Å; I369-Q372 PolarHBondContact O-N 3.43Å; Q372-Q374 VanDerWaalsContact C-N 3.26Å; Q372-Q374 PolarHBondContact O-N 2.66Å; Q372-I375 PolarHBondContact O-N 3.3Å; Q372-E376 WeakPolarHBondContact O-CG 3.25Å; Q372-E376 PolarHBondContact O-N 3.38Å
373K77.1Confident68.8Low115 Ų115101.1 Ų101.150%0.551%0.506SS..Hα-helixtrans-63.9-27.6178.1-78.5-173.5176.2-1780113.8I369 M370 H371 R377I369-K373 PolarHBondContact O-N 3.45Å; M370-K373 PolarHBondContact O-N 3.26Å; H371-K373 PolarHBondContact O-N 3.1Å; K373-R377 WeakPolarHBondContact O-CG 3.29Å; K373-R377 PolarHBondContact O-N 2.82Å; K373-R377 VanDerWaalsContact O-N 3.16Å
374Q78.7Confident68.9Low125 Ų125101.2 Ų101.258%0.58451%0.51SS*.Hα-helixtrans-77-38.5176.7-171.1163.1-30.800111.4M370 H371 Q372 R377 L378M370-Q374 PolarHBondContact O-N 3.22Å; H371-Q374 PolarHBondContact O-N 2.98Å; H371-Q374 VanDerWaalsContact O-N 3.14Å; Q372-Q374 VanDerWaalsContact C-N 3.26Å; Q372-Q374 PolarHBondContact O-N 2.66Å; Q374-R377 PolarHBondContact O-N 3.33Å; Q374-L378 HydrophobicContact CG-CD1 4.42Å; Q374-L378 WeakPolarHBondContact O-CG 3.48Å; Q374-L378 PolarHBondContact O-N 3.1Å
375I76Confident68.5Low87 Ų87105.2 Ų105.245%0.44652%0.516SS..Hα-helixtrans-60.7-46.9170.6-67.7169.7000110.3H371 Q372 R377 L378 S379H371-I375 VanDerWaalsContact CE1-CD1 3.43Å; H371-I375 WeakPolarHBondContact CE1-CD1 3.49Å; H371-I375 WeakPolarHBondContact O-CG1 3.46Å; H371-I375 PolarHBondContact O-N 3.35Å; Q372-I375 PolarHBondContact O-N 3.3Å; I375-R377 PolarHBondContact O-N 3.17Å; I375-L378 PolarHBondContact O-N 2.83Å; I375-L378 VanDerWaalsContact O-N 3.16Å; I375-S379 PolarHBondContact O-N 2.81Å
376E76.4Confident67.5Low97 Ų97104.1 Ų104.145%0.45351%0.511SS..Hα-helixtrans-57.1-47.7177.8-73.3168.3-176.600111.2Q372 L378 S379 D380Q372-E376 WeakPolarHBondContact O-CG 3.25Å; Q372-E376 PolarHBondContact O-N 3.38Å; E376-L378 PolarHBondContact O-N 3.24Å; E376-S379 PolarHBondContact O-N 2.8Å; E376-S379 PolarHBondContact O-OG 3.22Å; E376-D380 PolarHBondContact O-N 3.25Å
377R74.1Confident66.5Low168 Ų168110.1 Ų110.163%0.63453%0.527SS*.Hα-helixtrans-62.6-36.6176.1-77.4-174-123-175.6-0.5114K373 Q374 I375 K381K373-R377 WeakPolarHBondContact O-CG 3.29Å; K373-R377 PolarHBondContact O-N 2.82Å; K373-R377 VanDerWaalsContact O-N 3.16Å; Q374-R377 PolarHBondContact O-N 3.33Å; I375-R377 PolarHBondContact O-N 3.17Å; R377-K381 WeakPolarHBondContact O-CB 3.48Å; R377-K381 WeakPolarHBondContact O-CG 3.47Å; R377-K381 PolarHBondContact O-N 2.84Å; R377-K381 VanDerWaalsContact O-N 3.11Å
378L71.8Confident65.6Low95 Ų95114.9 Ų114.950%0.49754%0.544SS..Hα-helixtrans-69.5-39.8176.3-74.8167.8000110.5Q374 I375 E376 K381 Q382Q374-L378 HydrophobicContact CG-CD1 4.42Å; Q374-L378 WeakPolarHBondContact O-CG 3.48Å; Q374-L378 PolarHBondContact O-N 3.1Å; I375-L378 PolarHBondContact O-N 2.83Å; I375-L378 VanDerWaalsContact O-N 3.16Å; E376-L378 PolarHBondContact O-N 3.24Å; L378-K381 PolarHBondContact O-N 3.3Å; L378-Q382 PolarHBondContact O-N 3.21Å
379S69.5Low64Low60 Ų60111.8 Ų111.842%0.4254%0.536SS..Hα-helixtrans-62.8-43.6175.385.80000111.9I375 E376 K381 Q382 V383I375-S379 PolarHBondContact O-N 2.81Å; E376-S379 PolarHBondContact O-N 2.8Å; E376-S379 PolarHBondContact O-OG 3.22Å; S379-K381 VanDerWaalsContact C-N 3.34Å; S379-K381 PolarHBondContact O-N 3.16Å; S379-Q382 WeakPolarHBondContact O-CB 3.33Å; S379-Q382 PolarHBondContact O-N 2.66Å; S379-Q382 VanDerWaalsContact O-N 3.09Å; S379-V383 WeakPolarHBondContact O-CG2 3.24Å; S379-V383 PolarHBondContact O-N 3.13Å
380D64.6Low62.3Low104 Ų104114.3 Ų114.356%0.55655%0.551SS**Hα-helixtrans-63.5-38.8176.2-80.8-18.7000112.2E376 Q382 T384E376-D380 PolarHBondContact O-N 3.25Å; D380-Q382 VanDerWaalsContact C-N 3.31Å; D380-Q382 PolarHBondContact O-N 3.49Å; D380-T384 WeakPolarHBondContact O-CB 3.4Å; D380-T384 WeakPolarHBondContact O-CG2 3.5Å; D380-T384 PolarHBondContact O-N 3.42Å; D380-T384 PolarHBondContact O-OG1 2.88Å
381K63.8Low60.8Low131 Ų131113.8 Ų113.857%0.5756%0.558SS**Hα-helixtrans-66.6-31.7174.2-79.4-177.2178.6-175.50112.6R377 L378 S379 T384 R385R377-K381 WeakPolarHBondContact O-CB 3.48Å; R377-K381 WeakPolarHBondContact O-CG 3.47Å; R377-K381 PolarHBondContact O-N 2.84Å; R377-K381 VanDerWaalsContact O-N 3.11Å; L378-K381 PolarHBondContact O-N 3.3Å; S379-K381 VanDerWaalsContact C-N 3.34Å; S379-K381 PolarHBondContact O-N 3.16Å; K381-T384 VanDerWaalsContact CA-OG1 3.31Å; K381-T384 WeakPolarHBondContact CA-OG1 3.28Å; K381-T384 PolarHBondContact O-OG1 3.22Å; K381-T384 VanDerWaalsContact O-OG1 3.07Å; K381-R385 WeakPolarHBondContact O-CB 3.42Å; K381-R385 PolarHBondContact O-N 3.45Å
382Q60.3Low59Low99 Ų99116 Ų11646%0.46357%0.569SS.*Hα-helixtrans-74.7-45.1176.8-135.3113.7-19.400110.6L378 S379 D380 T384 R385 D386L378-Q382 PolarHBondContact O-N 3.21Å; S379-Q382 WeakPolarHBondContact O-CB 3.33Å; S379-Q382 PolarHBondContact O-N 2.66Å; S379-Q382 VanDerWaalsContact O-N 3.09Å; D380-Q382 VanDerWaalsContact C-N 3.31Å; D380-Q382 PolarHBondContact O-N 3.49Å; Q382-T384 VanDerWaalsContact C-N 3.3Å; Q382-T384 PolarHBondContact O-N 3.44Å; Q382-R385 PolarHBondContact O-N 3.23Å; Q382-R385 VanDerWaalsContact O-N 3.08Å; Q382-D386 PolarHBondContact O-N 2.87Å
383V55.4Low57.1Low78 Ų78117.4 Ų117.447%0.47358%0.58SS.*Hα-helixtrans-61-37.9176.7173.80000111.8S379 R387S379-V383 WeakPolarHBondContact O-CG2 3.24Å; S379-V383 PolarHBondContact O-N 3.13Å; V383-R387 PolarHBondContact O-N 2.75Å
384T54.1Low55.2Low84 Ų84117.3 Ų117.352%0.51559%0.585SS.*Hα-helixtrans-70.8-31.7174.444.10000113.1D380 K381 Q382D380-T384 WeakPolarHBondContact O-CB 3.4Å; D380-T384 WeakPolarHBondContact O-CG2 3.5Å; D380-T384 PolarHBondContact O-N 3.42Å; D380-T384 PolarHBondContact O-OG1 2.88Å; K381-T384 VanDerWaalsContact CA-OG1 3.31Å; K381-T384 WeakPolarHBondContact CA-OG1 3.28Å; K381-T384 PolarHBondContact O-OG1 3.22Å; K381-T384 VanDerWaalsContact O-OG1 3.07Å; Q382-T384 VanDerWaalsContact C-N 3.3Å; Q382-T384 PolarHBondContact O-N 3.44Å
385R48.7Very low53.4Low163 Ų163118.3 Ų118.362%0.61558%0.584SS**Hα-helixtrans-75.7-36.6177.1-148.5-178.3-75.8140.2-8.9112K381 Q382 I388K381-R385 WeakPolarHBondContact O-CB 3.42Å; K381-R385 PolarHBondContact O-N 3.45Å; Q382-R385 PolarHBondContact O-N 3.23Å; Q382-R385 VanDerWaalsContact O-N 3.08Å; R385-I388 PolarHBondContact O-N 3.11Å
386D44.4Very low51.6Low64 Ų64122.9 Ų122.934%0.34260%0.597SS.*Hα-helixtrans-73-24.2177.1-77.53000112.6Q382 I388 S389 Y395Q382-D386 PolarHBondContact O-N 2.87Å; D386-I388 PolarHBondContact O-N 3.44Å; D386-S389 PolarHBondContact O-N 3.36Å; D386-S389 VanDerWaalsContact O-O 3.12Å; D386-Y395 PolarHBondContact OD2-OH 3.27Å
387R46.8Very low49.8Very low213 Ų213123.3 Ų123.380%0.80460%0.603SS**THydrogen-bonded Turntrans-67.3-16.9171.4-84.5-172.7-167.5172.15.9114.3V383V383-R387 PolarHBondContact O-N 2.75Å
388I45.6Very low48.1Very low152 Ų152123.5 Ų123.578%0.77961%0.608SS**THydrogen-bonded Turntrans-91.9-14.7-179.8-58.1176.7000111.3R385 D386R385-I388 PolarHBondContact O-N 3.11Å; D386-I388 PolarHBondContact O-N 3.44Å
389S41.2Very low46.4Very low65 Ų65126.3 Ų126.346%0.45561%0.613SS.*SBendtrans-117.6116.4174.579.40000112.5D386D386-S389 PolarHBondContact O-N 3.36Å; D386-S389 VanDerWaalsContact O-O 3.12Å
390N36.1Very low45Very low147 Ų147129 Ų12979%0.78662%0.622SS**  trans104.8101.4153.4-58.6-19.9000116.9
391S39.1Very low43.4Very low102 Ų102131.8 Ų131.871%0.71363%0.629SS**  trans-35.5128.6133.955.30000112.7
392H36.8Very low42.1Very low170 Ų170133.9 Ų133.979%0.78764%0.641SS**SBendtrans50.5115.9148.7-75.481.6000119.7
393D38.5Very low40.6Very low147 Ų147135 Ų13579%0.78665%0.648SS**SBendtrans81.6108.8150.4-58.4-24.9000118.4
394N36.7Very low39.3Very low112 Ų112141.5 Ų141.560%0.59967%0.665SS**  trans100.335.7152-138.80.4000118.6Y396 N397N394-Y396 VanDerWaalsContact C-N 3.33Å; N394-N397 PolarHBondContact OD1-ND2 2.97Å
395Y40.9Very low38.1Very low146 Ų146145.1 Ų145.157%0.57368%0.68SS**SBendtrans-66.1-30.1170-170.7-95000113.3D386 N397 Y399D386-Y395 PolarHBondContact OD2-OH 3.27Å; Y395-N397 PolarHBondContact O-N 3.16Å; Y395-Y399 HydrophobicContact CE1-CD2 4.41Å
396Y39.3Very low37.1Very low183 Ų183142.4 Ų142.472%0.71869%0.686SS**Hα-helixtrans-70.7-29.1-171.8-152.5-97000113.9N394 L400N394-Y396 VanDerWaalsContact C-N 3.33Å; Y396-L400 HydrophobicContact CE1-CD1 4.21Å
397N38.3Very low36.2Very low107 Ų107147.3 Ų147.357%0.57271%0.707SS**Hα-helixtrans-92.4-6.3-174.9-70.5-42.1000115N394 Y395N394-N397 PolarHBondContact OD1-ND2 2.97Å; Y395-N397 PolarHBondContact O-N 3.16Å
398K37.5Very low35.3Very low172 Ų172144.9 Ų144.975%0.74871%0.71SS**Hα-helixtrans-87.9-30.6177.3-162.1171.2-175.6179.10113
399Y37.3Very low34.3Very low153 Ų153146.4 Ų146.460%0.671%0.711SS**Hα-helixtrans-79.3-26.4-177.2-110.6-84.5000114.3Y395 K401Y395-Y399 HydrophobicContact CE1-CD2 4.41Å; Y399-K401 VanDerWaalsContact C-N 3.32Å; Y399-K401 PolarHBondContact O-N 3.12Å
400L39.4Very low33.5Very low116 Ų116148.2 Ų148.261%0.60772%0.719SS**G310 helixtrans-81.7-6.2178.4-82.3159.7000114.3Y396Y396-L400 HydrophobicContact CE1-CD1 4.21Å
401K30.5Very low32.9Very low164 Ų164152.2 Ų152.271%0.71373%0.725SS**G310 helixtrans-86.6-9.7178.1-134.9174.6-174.6177.70114.3Y399Y399-K401 VanDerWaalsContact C-N 3.32Å; Y399-K401 PolarHBondContact O-N 3.12Å
402H36.2Very low32Very low174 Ų174154.5 Ų154.581%0.80672%0.724SS**G310 helixtrans-97.23.1175-85.6-71.3000114.7
403I29.8Very low31.3Very low122 Ų122157.3 Ų157.363%0.62673%0.728SS**  trans-120.352.7172.4-44177.7000109.1L405I403-L405 PolarHBondContact O-N 2.92Å
404R27.2Very low30.7Very low215 Ų215155.5 Ų155.581%0.81172%0.724SS**  trans-80.5100.7148.2-85.6-174.9-175.41750.2105.5S406R404-S406 PolarHBondContact O-N 3.09Å
405L30.4Very low30.1Very low161 Ų161156.8 Ų156.884%0.84373%0.729SS**  trans-47.287.1159.1-74.6134.9000107.8I403 E407I403-L405 PolarHBondContact O-N 2.92Å; L405-E407 VanDerWaalsContact C-N 3.28Å; L405-E407 PolarHBondContact O-N 3.37Å
406S27.1Very low29.4Very low106 Ų106157.5 Ų157.574%0.74174%0.743SS**  trans-72.997.3171.160.70000105.6R404R404-S406 PolarHBondContact O-N 3.09Å
407E26Very low28.8Very low166 Ų166154.2 Ų154.278%0.77674%0.742SS**  trans38.1100.2143.8-66.4175170.900113.4L405 K409L405-E407 VanDerWaalsContact C-N 3.28Å; L405-E407 PolarHBondContact O-N 3.37Å; E407-K409 PolarHBondContact O-N 3.27Å
408N27.1Very low28.3Very low162 Ų162157.5 Ų157.587%0.86675%0.754SS**  trans-41.891.2157.7-79.2-24.1000109.1V410N408-V410 PolarHBondContact O-N 3.25Å
409K25.7Very low27.9Very low184 Ų184155.8 Ų155.880%0.875%0.753SS**  trans-69.887.7162.8-83.9-173.3176.2179.80106.1E407 Y411E407-K409 PolarHBondContact O-N 3.27Å; K409-Y411 PolarHBondContact O-N 2.87Å
410V23.3Very low27.7Very low104 Ų104153.7 Ų153.763%0.6376%0.756SS**  trans-10.395.9140-176.80000111.3N408 Q412N408-V410 PolarHBondContact O-N 3.25Å; V410-Q412 HydrophobicContact CG1-CB 4.49Å; V410-Q412 HydrophobicContact CG1-CG 3.66Å
411Y22.7Very low27.4Very low231 Ų231152.3 Ų152.391%0.90676%0.762SS**  trans-100.195.4141.2-95.2-84.5000106.8K409K409-Y411 PolarHBondContact O-N 2.87Å
412Q20.4Very low27.9Very low149 Ų149146.4 Ų146.470%0.69674%0.744SS**  trans-55.2145.5145.4-71.3164.1-13.800107V410V410-Q412 HydrophobicContact CG1-CB 4.49Å; V410-Q412 HydrophobicContact CG1-CG 3.66Å
413R22.2Very low27.9Very low230 Ų230143.5 Ų143.587%0.86873%0.734SS**  cis-172.9174.421.3-117.1178.5-170.4175.63.1104.4
414P26.5Very low28.5Very low108 Ų108140.9 Ų140.970%0.70173%0.731SS**  cis-123.1162.50.135.2-17.5000113.6D416P414-D416 PolarHBondContact O-N 3.4Å
415I24.1Very low29.3Very low139 Ų139134.3 Ų134.371%0.71372%0.715SS**  trans-64.6120.5163.4-64.4154.6000107.8T417I415-T417 WeakPolarHBondContact CG2-OG1 3.21Å
416D26.2Very low30Very low162 Ų162133.4 Ų133.487%0.86670%0.704SS**  trans-132.671.9145.8-93.3-30.5000107.2P414 Q418P414-D416 PolarHBondContact O-N 3.4Å; D416-Q418 PolarHBondContact O-N 3.01Å
417T26Very low31Very low113 Ų113132.5 Ų132.569%0.69369%0.694SS**  trans-79.196.3159.548.10000108.2I415I415-T417 WeakPolarHBondContact CG2-OG1 3.21Å
418Q28.3Very low32Very low177 Ų177128.8 Ų128.883%0.82768%0.682SS**  trans-170.2139147.8-104.8161.928.400109.2D416D416-Q418 PolarHBondContact O-N 3.01Å
419N29.2Very low33Very low135 Ų135126.8 Ų126.872%0.72267%0.668SS**SBendtrans83.692.6178-49.1-26.8000113.7
420T32.8Very low34.3Very low109 Ų109123.1 Ų123.167%0.66966%0.657SS**SBend-164.913.389.130.70000114A422 N423T420-A422 PolarHBondContact O-N 2.87Å; T420-N423 PolarHBondContact O-N 3.3Å
421A33.3Very low35.7Very low88 Ų88126.7 Ų126.773%0.72766%0.66SS**THydrogen-bonded Turntrans-71.3-11.3164.700000112.9T425A421-T425 PolarHBondContact O-OG1 3.3Å
422A41.2Very low37.3Very low40 Ų40120.3 Ų120.333%0.33164%0.64SS.*Hα-helixtrans-76.2-22.5173.800000113.4T420 T425 F426T420-A422 PolarHBondContact O-N 2.87Å; A422-T425 PolarHBondContact O-OG1 2.87Å; A422-F426 VanDerWaalsContact O-CB 3.25Å; A422-F426 WeakPolarHBondContact O-CB 3.46Å; A422-F426 WeakPolarHBondContact O-CD2 3.37Å; A422-F426 PolarHBondContact O-N 2.85Å
423N36.8Very low38.8Very low113 Ų113120 Ų12060%0.60464%0.637SS**Hα-helixtrans-82.9-22.5-176.4-76.7-1000114T420 T427T420-N423 PolarHBondContact O-N 3.3Å; N423-T427 WeakPolarHBondContact O-CG2 3.2Å; N423-T427 PolarHBondContact O-OG1 2.86Å
424A41.5Very low40.6Very low67 Ų67114.6 Ų114.655%0.55463%0.625SS**Hα-helixtrans-87.9-26.4175.100000112.6T427 V428A424-T427 PolarHBondContact O-OG1 2.85Å; A424-V428 WeakPolarHBondContact O-CG2 3.39Å
425T43.7Very low42.3Very low77 Ų77114.1 Ų114.147%0.47262%0.616SS.*Hα-helixtrans-84.9-34.617646.50000112A421 A422 T427 V428 Q429A421-T425 PolarHBondContact O-OG1 3.3Å; A422-T425 PolarHBondContact O-OG1 2.87Å; T425-T427 PolarHBondContact O-N 3.31Å; T425-V428 PolarHBondContact O-N 2.89Å; T425-Q429 WeakPolarHBondContact O-CB 3.49Å; T425-Q429 PolarHBondContact O-N 3.47Å
426F46Very low44.1Very low141 Ų141113 Ų11362%0.61861%0.609SS**Hα-helixtrans-64.7-36.6171.8-102-96.9000113.2A422 L430A422-F426 VanDerWaalsContact O-CB 3.25Å; A422-F426 WeakPolarHBondContact O-CB 3.46Å; A422-F426 WeakPolarHBondContact O-CD2 3.37Å; A422-F426 PolarHBondContact O-N 2.85Å; F426-L430 WeakPolarHBondContact O-CB 3.39Å; F426-L430 PolarHBondContact O-N 3.27Å
427T47.7Very low45.7Very low88 Ų88109.5 Ų109.554%0.5459%0.593SS.*Hα-helixtrans-69-35.3179.944.90000112.1N423 A424 T425 Y431N423-T427 WeakPolarHBondContact O-CG2 3.2Å; N423-T427 PolarHBondContact O-OG1 2.86Å; A424-T427 PolarHBondContact O-OG1 2.85Å; T425-T427 PolarHBondContact O-N 3.31Å; T427-Y431 PolarHBondContact O-N 3.47Å
428V48.3Very low47.3Very low87 Ų87111.1 Ų111.153%0.52759%0.591SS.*Hα-helixtrans-76.8-39.8175.8179.60000111.9A424 T425 Y431 I432A424-V428 WeakPolarHBondContact O-CG2 3.39Å; T425-V428 PolarHBondContact O-N 2.89Å; V428-Y431 PolarHBondContact O-N 3.35Å; V428-I432 HydrophobicContact CG1-CD1 4.03Å; V428-I432 VanDerWaalsContact O-CG1 3.32Å; V428-I432 WeakPolarHBondContact O-CG1 3.29Å; V428-I432 PolarHBondContact O-N 2.9Å; V428-I432 VanDerWaalsContact O-N 3.08Å
429Q48.2Very low48.7Very low120 Ų120107.3 Ų107.356%0.56158%0.576SS**Hα-helixtrans-71.3-31176-80.3172-51.200113.3T425 K433T425-Q429 WeakPolarHBondContact O-CB 3.49Å; T425-Q429 PolarHBondContact O-N 3.47Å; Q429-K433 WeakPolarHBondContact O-CB 3.26Å; Q429-K433 PolarHBondContact O-N 2.93Å
430L51.6Low49.9Very low107 Ų107106.9 Ų106.956%0.5657%0.571SS**Hα-helixtrans-69.3-37.5173.6-163.376.9000111F426 K433 L434F426-L430 WeakPolarHBondContact O-CB 3.39Å; F426-L430 PolarHBondContact O-N 3.27Å; L430-K433 PolarHBondContact O-N 3.23Å; L430-L434 HydrophobicContact CG-CD1 4.27Å; L430-L434 WeakPolarHBondContact O-CB 3.32Å; L430-L434 PolarHBondContact O-N 2.88Å
431Y53.7Low50.9Low180 Ų180106.9 Ų106.971%0.70657%0.567SS**Hα-helixtrans-65.7-41.2174.4-127.8-93.7000112.1T427 V428 L434 L435T427-Y431 PolarHBondContact O-N 3.47Å; V428-Y431 PolarHBondContact O-N 3.35Å; Y431-L434 PolarHBondContact O-N 3.17Å; Y431-L435 HydrophobicContact CD1-CD1 3.99Å; Y431-L435 HydrophobicContact CE1-CD1 4.42Å; Y431-L435 PolarHBondContact O-N 2.76Å; Y431-L435 VanDerWaalsContact O-N 3.09Å
432I56Low51.9Low96 Ų96105.8 Ų105.849%0.49255%0.551SS.*Hα-helixtrans-68.3-38.6177-65.4167.3000111.1V428 M436V428-I432 HydrophobicContact CG1-CD1 4.03Å; V428-I432 VanDerWaalsContact O-CG1 3.32Å; V428-I432 WeakPolarHBondContact O-CG1 3.29Å; V428-I432 PolarHBondContact O-N 2.9Å; V428-I432 VanDerWaalsContact O-N 3.08Å; I432-M436 HydrophobicContact CG2-CE 4.3Å; I432-M436 WeakPolarHBondContact O-CG 3.29Å; I432-M436 PolarHBondContact O-N 3.41Å; I432-M436 VanDerWaalsContact O-N 3.17Å
433K51.9Low52.4Low144 Ų144107.5 Ų107.563%0.62656%0.557SS**Hα-helixtrans-69.1-38.3174.7-79.9-176.8176.7-1790112.8Q429 L430 M436 V437Q429-K433 WeakPolarHBondContact O-CB 3.26Å; Q429-K433 PolarHBondContact O-N 2.93Å; L430-K433 PolarHBondContact O-N 3.23Å; K433-M436 PolarHBondContact O-N 3.41Å; K433-V437 WeakPolarHBondContact O-CG2 3.38Å; K433-V437 PolarHBondContact O-N 3.47Å
434L60.3Low53Low116 Ų116107 Ų10761%0.60755%0.553SS**Hα-helixtrans-64.4-39.4175.8-11493.7000112L430 Y431 V437 F438L430-L434 HydrophobicContact CG-CD1 4.27Å; L430-L434 WeakPolarHBondContact O-CB 3.32Å; L430-L434 PolarHBondContact O-N 2.88Å; Y431-L434 PolarHBondContact O-N 3.17Å; L434-V437 PolarHBondContact O-N 3.43Å; L434-F438 WeakPolarHBondContact O-CB 3.28Å; L434-F438 PolarHBondContact O-N 2.91Å
435L62.3Low53.4Low98 Ų98107.3 Ų107.351%0.51355%0.551SS.*Hα-helixtrans-64.7-37.4175.4-104.6124.1000112.5Y431 N439Y431-L435 HydrophobicContact CD1-CD1 3.99Å; Y431-L435 HydrophobicContact CE1-CD1 4.42Å; Y431-L435 PolarHBondContact O-N 2.76Å; Y431-L435 VanDerWaalsContact O-N 3.09Å; L435-N439 PolarHBondContact O-N 3.46Å; L435-N439 VanDerWaalsContact O-N 3.09Å
436M61.1Low53.7Low116 Ų116110.8 Ų110.857%0.57156%0.562SS**Hα-helixtrans-70-37.6175.4-71.2-157.5-77.600112.6I432 K433 N439 M440I432-M436 HydrophobicContact CG2-CE 4.3Å; I432-M436 WeakPolarHBondContact O-CG 3.29Å; I432-M436 PolarHBondContact O-N 3.41Å; I432-M436 VanDerWaalsContact O-N 3.17Å; K433-M436 PolarHBondContact O-N 3.41Å; M436-N439 PolarHBondContact O-N 2.92Å; M436-M440 VanDerWaalsContact O-CG 3.26Å; M436-M440 WeakPolarHBondContact O-CG 3.4Å; M436-M440 PolarHBondContact O-N 3.33Å
437V60.8Low53.9Low87 Ų87111.6 Ų111.653%0.52757%0.565SS.*Hα-helixtrans-67.9-38175.9175.20000111.3K433 L434 M440 L441K433-V437 WeakPolarHBondContact O-CG2 3.38Å; K433-V437 PolarHBondContact O-N 3.47Å; L434-V437 PolarHBondContact O-N 3.43Å; V437-M440 PolarHBondContact O-N 3.21Å; V437-L441 HydrophobicContact CG1-CD1 3.78Å; V437-L441 WeakPolarHBondContact O-CB 3.46Å; V437-L441 WeakPolarHBondContact O-CD1 3.43Å; V437-L441 PolarHBondContact O-N 3.41Å
438F59.5Low53.8Low148 Ų148113.9 Ų113.965%0.64957%0.574SS**Hα-helixtrans-65.3-39.9175.8-144.6-92.1000112L434 L441 T442L434-F438 WeakPolarHBondContact O-CB 3.28Å; L434-F438 PolarHBondContact O-N 2.91Å; F438-L441 PolarHBondContact O-N 3.43Å; F438-T442 WeakPolarHBondContact O-CG2 3.31Å; F438-T442 PolarHBondContact O-N 3.13Å; F438-T442 PolarHBondContact O-OG1 3.46Å
439N56.7Low53.6Low97 Ų97120 Ų12052%0.51959%0.589SS.*Hα-helixtrans-70.9-28175.2-80.6-15.9000113.7L435 M436 T442 V443L435-N439 PolarHBondContact O-N 3.46Å; L435-N439 VanDerWaalsContact O-N 3.09Å; M436-N439 PolarHBondContact O-N 2.92Å; N439-T442 WeakPolarHBondContact CA-OG1 3.42Å; N439-T442 PolarHBondContact O-OG1 3.46Å; N439-V443 VanDerWaalsContact O-CG2 3.25Å; N439-V443 WeakPolarHBondContact O-CG2 3.47Å; N439-V443 PolarHBondContact O-N 3.2Å
440M53.9Low53.2Low125 Ų125126.2 Ų126.262%0.61662%0.615SS**Hα-helixtrans-77.8-34.2174.8-67.7-68.7-90.900111.7M436 V437 V443 I444M436-M440 VanDerWaalsContact O-CG 3.26Å; M436-M440 WeakPolarHBondContact O-CG 3.4Å; M436-M440 PolarHBondContact O-N 3.33Å; V437-M440 PolarHBondContact O-N 3.21Å; M440-V443 PolarHBondContact O-N 3.44Å; M440-I444 VanDerWaalsContact O-CG1 3.29Å; M440-I444 WeakPolarHBondContact O-CG1 3.46Å; M440-I444 PolarHBondContact O-N 2.93Å
441L53.9Low53.3Low110 Ų110127.2 Ų127.258%0.57662%0.617SS**Hα-helixtrans-68.7-31.6175.9-81157.1000112.9V437 F438 S445V437-L441 HydrophobicContact CG1-CD1 3.78Å; V437-L441 WeakPolarHBondContact O-CB 3.46Å; V437-L441 WeakPolarHBondContact O-CD1 3.43Å; V437-L441 PolarHBondContact O-N 3.41Å; F438-L441 PolarHBondContact O-N 3.43Å; L441-S445 PolarHBondContact O-N 3.07Å
442T54Low53.3Low64 Ų64124.4 Ų124.439%0.39361%0.613SS.*Hα-helixtrans-75.7-25.5173.552.60000113.3F438 N439 S445F438-T442 WeakPolarHBondContact O-CG2 3.31Å; F438-T442 PolarHBondContact O-N 3.13Å; F438-T442 PolarHBondContact O-OG1 3.46Å; N439-T442 WeakPolarHBondContact CA-OG1 3.42Å; N439-T442 PolarHBondContact O-OG1 3.46Å; T442-S445 PolarHBondContact O-OG 2.8Å
443V52.7Low53.2Low76 Ų76126 Ų12646%0.46162%0.619SS.*Hα-helixtrans-80.8-35.2175.2175.90000111.3N439 M440 H446 F447N439-V443 VanDerWaalsContact O-CG2 3.25Å; N439-V443 WeakPolarHBondContact O-CG2 3.47Å; N439-V443 PolarHBondContact O-N 3.2Å; M440-V443 PolarHBondContact O-N 3.44Å; V443-H446 PolarHBondContact O-N 3.17Å; V443-F447 HydrophobicContact CG1-CD2 4.34Å; V443-F447 HydrophobicContact CG1-CE2 4.44Å
444I50.4Low53.2Low103 Ų103124.9 Ų124.953%0.52862%0.619SS.*Hα-helixtrans-72.6-30.4178.2-63.5164.3000111.7M440 H446 F447M440-I444 VanDerWaalsContact O-CG1 3.29Å; M440-I444 WeakPolarHBondContact O-CG1 3.46Å; M440-I444 PolarHBondContact O-N 2.93Å; I444-H446 PolarHBondContact O-N 3.5Å; I444-F447 PolarHBondContact O-N 3.45Å
445S48.3Very low52.8Low74 Ų74125.5 Ų125.552%0.51762%0.62SS.*THydrogen-bonded Turntrans-68.8-19.9173.666.80000113.5L441 T442L441-S445 PolarHBondContact O-N 3.07Å; T442-S445 PolarHBondContact O-OG 2.8Å
446H50.5Low52.2Low150 Ų150127.3 Ų127.369%0.69463%0.627SS**THydrogen-bonded Turntrans-88.6-13.6176.6-96.9-40.7000115V443 I444V443-H446 PolarHBondContact O-N 3.17Å; I444-H446 PolarHBondContact O-N 3.5Å
447F50.9Low51.5Low157 Ų157128.1 Ų128.169%0.68963%0.631SS**SBendtrans-101.72.3178.3-85.9-79.1000115V443 I444V443-F447 HydrophobicContact CG1-CD2 4.34Å; V443-F447 HydrophobicContact CG1-CE2 4.44Å; I444-F447 PolarHBondContact O-N 3.45Å
448L45Very low50.8Low137 Ų137131.3 Ų131.372%0.71764%0.639SS**SBendtrans-101.314.6172.1-84162.4000113.9
449Y43.8Very low50.1Low214 Ų214129.9 Ų129.984%0.83964%0.638SS**  trans-123.124.2173.3-88.8-79000113.9
450F40.9Very low49.5Very low252 Ų252132.9 Ų132.9100%1.10565%0.649SS**  trans-120.40155-83.5-82000107.8

Retrieved 450 of 450 residues in 582.5 ms (Link to these results)

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