A0A087Y6P1_POEFO Loading...

Mitochondrial cardiolipin hydrolase

AlphaFold DB , UniProt , Accession A0A087Y6P1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 211 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
1M56.4Low70.3Confident197 Ų197108.9 Ų108.997%0.9759%0.588SS**  0126.40-75158.571.500107.7W5M1-W5 HydrophobicContact CE-CE3 3.83Å; M1-W5 HydrophobicContact CE-CH2 4.2Å; M1-W5 HydrophobicContact CE-CZ3 3.36Å
2S67.6Low70.9Confident76 Ų76110.6 Ų110.653%0.53160%0.596SS.*  trans-65.6132.6-171.9174.30000111M4 W5S2-M4 PolarHBondContact O-N 3.36Å; S2-M4 PolarHBondContact OG-N 3.4Å; S2-W5 WeakPolarHBondContact O-CB 3.38Å; S2-W5 PolarHBondContact O-N 3.4Å
3L70.8Confident71.4Confident145 Ų145105 Ų10576%0.75958%0.58SS**Hα-helixtrans-46.3-34.2174.1-173.371.8000112W5 S6 V7L3-W5 VanDerWaalsContact C-N 3.31Å; L3-W5 PolarHBondContact O-N 3.01Å; L3-S6 PolarHBondContact O-N 3.22Å; L3-V7 WeakPolarHBondContact O-CG2 3.36Å; L3-V7 PolarHBondContact O-N 3.39Å; L3-V7 VanDerWaalsContact O-N 3.15Å
4M68.9Low72.1Confident127 Ų127104.2 Ų104.263%0.62658%0.579SS**Hα-helixtrans-67.4-27.3179.9-152.9170.372.400113.7S2 K8S2-M4 PolarHBondContact O-N 3.36Å; S2-M4 PolarHBondContact OG-N 3.4Å; M4-K8 WeakPolarHBondContact O-CG 3.39Å; M4-K8 PolarHBondContact O-N 2.86Å
5W70.8Confident72.5Confident155 Ų155105.1 Ų105.159%0.58758%0.579SS**Hα-helixtrans-76-42.8175.8-170.977.6000111M1 S2 L3 V7 K8 V9M1-W5 HydrophobicContact CE-CE3 3.83Å; M1-W5 HydrophobicContact CE-CH2 4.2Å; M1-W5 HydrophobicContact CE-CZ3 3.36Å; S2-W5 WeakPolarHBondContact O-CB 3.38Å; S2-W5 PolarHBondContact O-N 3.4Å; L3-W5 VanDerWaalsContact C-N 3.31Å; L3-W5 PolarHBondContact O-N 3.01Å; W5-V7 VanDerWaalsContact C-N 3.34Å; W5-V7 PolarHBondContact O-N 3.47Å; W5-K8 PolarHBondContact O-N 3.01Å; W5-V9 HydrophobicContact CD2-CG2 4.15Å; W5-V9 HydrophobicContact CE3-CG2 4.33Å; W5-V9 HydrophobicContact CH2-CG2 4.39Å; W5-V9 HydrophobicContact CZ2-CG2 4.19Å; W5-V9 HydrophobicContact CZ3-CG2 4.44Å; W5-V9 WeakPolarHBondContact O-CG2 3.46Å; W5-V9 PolarHBondContact O-N 3.42Å
6S68.2Low73.2Confident57 Ų57101.9 Ų101.940%0.39957%0.571SS.*Hα-helixtrans-60.9-41.9176.1-53.50000112.1L3 K8 V9 V10L3-S6 PolarHBondContact O-N 3.22Å; S6-K8 PolarHBondContact O-N 3.37Å; S6-V9 PolarHBondContact O-N 3.15Å; S6-V10 VanDerWaalsContact O-CG2 3.29Å; S6-V10 WeakPolarHBondContact O-CG2 3.44Å; S6-V10 PolarHBondContact O-N 2.94Å
7V73.4Confident73.9Confident100 Ų100102.6 Ų102.661%0.60657%0.572SS**Hα-helixtrans-63.5-40.1176.8175.10000111.8L3 W5 G11L3-V7 WeakPolarHBondContact O-CG2 3.36Å; L3-V7 PolarHBondContact O-N 3.39Å; L3-V7 VanDerWaalsContact O-N 3.15Å; W5-V7 VanDerWaalsContact C-N 3.34Å; W5-V7 PolarHBondContact O-N 3.47Å; V7-G11 PolarHBondContact O-N 3.02Å
8K70.9Confident74.4Confident132 Ų13299.4 Ų99.457%0.57456%0.559SS**Hα-helixtrans-66.4-41.8177-76.5-178.9177.6-173.50112.5M4 W5 S6 G11 L12M4-K8 WeakPolarHBondContact O-CG 3.39Å; M4-K8 PolarHBondContact O-N 2.86Å; W5-K8 PolarHBondContact O-N 3.01Å; S6-K8 PolarHBondContact O-N 3.37Å; K8-G11 PolarHBondContact O-N 3.49Å; K8-L12 WeakPolarHBondContact O-CB 3.36Å; K8-L12 WeakPolarHBondContact O-CG 3.32Å; K8-L12 PolarHBondContact O-N 3.42Å
9V76.4Confident74.9Confident75 Ų7599.7 Ų99.746%0.45556%0.558SS.*Hα-helixtrans-65.8-43.5178.81740000110.9W5 S6 G13W5-V9 HydrophobicContact CD2-CG2 4.15Å; W5-V9 HydrophobicContact CE3-CG2 4.33Å; W5-V9 HydrophobicContact CH2-CG2 4.39Å; W5-V9 HydrophobicContact CZ2-CG2 4.19Å; W5-V9 HydrophobicContact CZ3-CG2 4.44Å; W5-V9 WeakPolarHBondContact O-CG2 3.46Å; W5-V9 PolarHBondContact O-N 3.42Å; S6-V9 PolarHBondContact O-N 3.15Å; V9-G13 PolarHBondContact O-N 3.24Å
10V76.1Confident75.4Confident98 Ų9897.9 Ų97.959%0.59455%0.552SS**Hα-helixtrans-64-44.3175.7173.70000110.9S6 L12 G13 V14S6-V10 VanDerWaalsContact O-CG2 3.29Å; S6-V10 WeakPolarHBondContact O-CG2 3.44Å; S6-V10 PolarHBondContact O-N 2.94Å; V10-L12 PolarHBondContact O-N 3.01Å; V10-G13 PolarHBondContact O-N 2.98Å; V10-V14 HydrophobicContact CG1-CG2 4.48Å; V10-V14 WeakPolarHBondContact O-CG2 3.35Å; V10-V14 PolarHBondContact O-N 2.97Å
11G73.4Confident75.9Confident36 Ų3698.4 Ų98.437%0.37155%0.553SS.*Hα-helixtrans-61.3-44177.800000113.5V7 K8 G13 V14 M15V7-G11 PolarHBondContact O-N 3.02Å; K8-G11 PolarHBondContact O-N 3.49Å; G11-G13 VanDerWaalsContact C-N 3.34Å; G11-V14 PolarHBondContact O-N 3.12Å; G11-M15 WeakPolarHBondContact O-CG 3.48Å; G11-M15 PolarHBondContact O-N 3.41Å; G11-M15 VanDerWaalsContact O-N 3.12Å
12L78.1Confident77.1Confident129 Ų12995.5 Ų95.568%0.67554%0.537SS*.Hα-helixtrans-63.9-39174.9-78.4162.6000112.1K8 V10 M15 A16K8-L12 WeakPolarHBondContact O-CB 3.36Å; K8-L12 WeakPolarHBondContact O-CG 3.32Å; K8-L12 PolarHBondContact O-N 3.42Å; V10-L12 PolarHBondContact O-N 3.01Å; L12-M15 PolarHBondContact O-N 3.37Å; L12-A16 WeakPolarHBondContact O-CB 3.29Å; L12-A16 PolarHBondContact O-N 3.42Å
13G77.1Confident77.9Confident38 Ų3897.1 Ų97.139%0.39254%0.539SS..Hα-helixtrans-62.7-43.7175.800000113V9 V10 G11 A16 L17V9-G13 PolarHBondContact O-N 3.24Å; V10-G13 PolarHBondContact O-N 2.98Å; G11-G13 VanDerWaalsContact C-N 3.34Å; G13-A16 PolarHBondContact O-N 3Å; G13-L17 WeakPolarHBondContact O-CB 3.46Å; G13-L17 PolarHBondContact O-N 3.48Å
14V81.1Confident78.5Confident94 Ų9494.4 Ų94.457%0.5753%0.525SS*.Hα-helixtrans-64.9-42.3178173.80000111.5V10 G11 L17 S18V10-V14 HydrophobicContact CG1-CG2 4.48Å; V10-V14 WeakPolarHBondContact O-CG2 3.35Å; V10-V14 PolarHBondContact O-N 2.97Å; G11-V14 PolarHBondContact O-N 3.12Å; V14-L17 PolarHBondContact O-N 3.15Å; V14-S18 PolarHBondContact O-N 2.94Å; V14-S18 PolarHBondContact O-OG 2.98Å
15M79Confident78.9Confident117 Ų11790.6 Ų90.658%0.57652%0.518SS*.Hα-helixtrans-65.4-39.4177.2-70.6-65.6-66.200112.8G11 L12 L17 S18 L19G11-M15 WeakPolarHBondContact O-CG 3.48Å; G11-M15 PolarHBondContact O-N 3.41Å; G11-M15 VanDerWaalsContact O-N 3.12Å; L12-M15 PolarHBondContact O-N 3.37Å; M15-L17 VanDerWaalsContact C-N 3.33Å; M15-S18 PolarHBondContact O-OG 3.3Å; M15-L19 WeakPolarHBondContact O-CB 3.49Å; M15-L19 WeakPolarHBondContact O-CG 3.29Å; M15-L19 PolarHBondContact O-N 2.62Å; M15-L19 VanDerWaalsContact O-N 3.15Å
16A83.9Confident79.2Confident55 Ų5589.9 Ų89.946%0.45552%0.515SS..Hα-helixtrans-65.2-40175.100000111.2L12 G13 S20L12-A16 WeakPolarHBondContact O-CB 3.29Å; L12-A16 PolarHBondContact O-N 3.42Å; G13-A16 PolarHBondContact O-N 3Å; A16-S20 WeakPolarHBondContact O-CB 3.36Å; A16-S20 PolarHBondContact O-N 3.04Å; A16-S20 PolarHBondContact O-OG 2.92Å
17L84.5Confident79.5Confident113 Ų11390.3 Ų90.359%0.59252%0.515SS*.Hα-helixtrans-67.3-40.9179.4-142.2109.1000112G13 V14 M15 S20 L21G13-L17 WeakPolarHBondContact O-CB 3.46Å; G13-L17 PolarHBondContact O-N 3.48Å; V14-L17 PolarHBondContact O-N 3.15Å; M15-L17 VanDerWaalsContact C-N 3.33Å; L17-S20 PolarHBondContact O-N 3.47Å; L17-L21 HydrophobicContact CD2-CD1 4.14Å; L17-L21 WeakPolarHBondContact O-CB 3.32Å; L17-L21 VanDerWaalsContact O-CG 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.49Å; L17-L21 PolarHBondContact O-N 3.19Å
18S81.9Confident79.2Confident46 Ų4692.3 Ų92.332%0.32252%0.516SS..Hα-helixtrans-65.3-46.7177.759.90000112V14 M15 S20 L21 E22V14-S18 PolarHBondContact O-N 2.94Å; V14-S18 PolarHBondContact O-OG 2.98Å; M15-S18 PolarHBondContact O-OG 3.3Å; S18-S20 VanDerWaalsContact C-N 3.28Å; S18-S20 PolarHBondContact O-N 2.93Å; S18-L21 PolarHBondContact O-N 2.96Å; S18-E22 WeakPolarHBondContact O-CG 3.31Å; S18-E22 PolarHBondContact O-N 3.36Å
19L84Confident78.8Confident105 Ų10588.4 Ų88.455%0.5551%0.514SS..Hα-helixtrans-61.5-37.3175.3-72.5168000112M15 L23M15-L19 WeakPolarHBondContact O-CB 3.49Å; M15-L19 WeakPolarHBondContact O-CG 3.29Å; M15-L19 PolarHBondContact O-N 2.62Å; M15-L19 VanDerWaalsContact O-N 3.15Å; L19-L23 VanDerWaalsContact O-CB 3.29Å; L19-L23 WeakPolarHBondContact O-CB 3.48Å; L19-L23 PolarHBondContact O-N 3.37Å
20S85.5Confident78.1Confident63 Ų6393.7 Ų93.744%0.44153%0.525SS..Hα-helixtrans-65.3-42.4176-57.10000111.9A16 L17 S18 L23 L24A16-S20 WeakPolarHBondContact O-CB 3.36Å; A16-S20 PolarHBondContact O-N 3.04Å; A16-S20 PolarHBondContact O-OG 2.92Å; L17-S20 PolarHBondContact O-N 3.47Å; S18-S20 VanDerWaalsContact C-N 3.28Å; S18-S20 PolarHBondContact O-N 2.93Å; S20-L23 PolarHBondContact O-N 2.99Å; S20-L24 VanDerWaalsContact O-CB 3.31Å; S20-L24 WeakPolarHBondContact O-CB 3.31Å; S20-L24 PolarHBondContact O-N 2.85Å
21L85.2Confident77Confident108 Ų10893.4 Ų93.457%0.56553%0.527SS*.Hα-helixtrans-68.8-37.3178-74.4168000112.3L17 S18 G25L17-L21 HydrophobicContact CD2-CD1 4.14Å; L17-L21 WeakPolarHBondContact O-CB 3.32Å; L17-L21 VanDerWaalsContact O-CG 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.49Å; L17-L21 PolarHBondContact O-N 3.19Å; S18-L21 PolarHBondContact O-N 2.96Å; L21-G25 PolarHBondContact O-N 2.92Å
22E82.8Confident76Confident137 Ų137101.8 Ų101.864%0.6455%0.547SS*.Hα-helixtrans-67.2-42.7173.3-74.8-179.5-176.500111.8S18 G25 W26S18-E22 WeakPolarHBondContact O-CG 3.31Å; S18-E22 PolarHBondContact O-N 3.36Å; E22-G25 PolarHBondContact O-N 3.29Å; E22-W26 VanDerWaalsContact O-CB 3.32Å; E22-W26 WeakPolarHBondContact O-CB 3.39Å; E22-W26 PolarHBondContact O-N 3.32Å
23L83.9Confident75Confident109 Ų109106.9 Ų106.957%0.57156%0.557SS**Hα-helixtrans-63.2-44174.6-171.672.9000111L19 S20 W26 V27L19-L23 VanDerWaalsContact O-CB 3.29Å; L19-L23 WeakPolarHBondContact O-CB 3.48Å; L19-L23 PolarHBondContact O-N 3.37Å; S20-L23 PolarHBondContact O-N 2.99Å; L23-W26 PolarHBondContact O-N 2.83Å; L23-V27 WeakPolarHBondContact O-CB 3.26Å; L23-V27 VanDerWaalsContact O-CG2 3.24Å; L23-V27 WeakPolarHBondContact O-CG2 3.29Å; L23-V27 PolarHBondContact O-N 2.79Å
24L83.2Confident74.3Confident89 Ų89116.3 Ų116.347%0.46658%0.581SS.*Hα-helixtrans-59.4-47.5172.2-93.8151000110.8S20 W26 V27 F28S20-L24 VanDerWaalsContact O-CB 3.31Å; S20-L24 WeakPolarHBondContact O-CB 3.31Å; S20-L24 PolarHBondContact O-N 2.85Å; L24-W26 VanDerWaalsContact C-N 3.3Å; L24-W26 PolarHBondContact O-N 3.37Å; L24-V27 PolarHBondContact O-N 2.75Å; L24-F28 HydrophobicContact CD2-CD2 3.9Å; L24-F28 HydrophobicContact CD2-CE2 3.61Å; L24-F28 VanDerWaalsContact O-CB 3.26Å; L24-F28 WeakPolarHBondContact O-CB 3.32Å; L24-F28 VanDerWaalsContact O-CD2 3.29Å; L24-F28 WeakPolarHBondContact O-CD2 3.24Å; L24-F28 PolarHBondContact O-N 3.31Å
25G78.6Confident73.8Confident47 Ų47123.5 Ų123.549%0.48560%0.598SS.*Hα-helixtrans-60-38.5176.900000113L21 E22 G29L21-G25 PolarHBondContact O-N 2.92Å; E22-G25 PolarHBondContact O-N 3.29Å; G25-G29 PolarHBondContact O-N 2.78Å
26W75.6Confident74Confident139 Ų139120.9 Ų120.953%0.52759%0.589SS.*Hα-helixtrans-71.6-42.3176.6-174.985.4000112.7E22 L23 L24 G29 R30E22-W26 VanDerWaalsContact O-CB 3.32Å; E22-W26 WeakPolarHBondContact O-CB 3.39Å; E22-W26 PolarHBondContact O-N 3.32Å; L23-W26 PolarHBondContact O-N 2.83Å; L24-W26 VanDerWaalsContact C-N 3.3Å; L24-W26 PolarHBondContact O-N 3.37Å; W26-G29 PolarHBondContact O-N 2.82Å; W26-R30 PolarHBondContact O-N 3.26Å
27V74.8Confident74.5Confident66 Ų66120.9 Ų120.940%0.458%0.581SS.*Hα-helixtrans-65.6-44.4173.9171.40000110.7L23 L24 G29 R30 C31L23-V27 WeakPolarHBondContact O-CB 3.26Å; L23-V27 VanDerWaalsContact O-CG2 3.24Å; L23-V27 WeakPolarHBondContact O-CG2 3.29Å; L23-V27 PolarHBondContact O-N 2.79Å; L24-V27 PolarHBondContact O-N 2.75Å; V27-G29 VanDerWaalsContact C-N 3.31Å; V27-G29 PolarHBondContact O-N 3.23Å; V27-R30 CarbonylContact O-C 3.39Å; V27-R30 PolarHBondContact O-N 3.46Å; V27-C31 VanDerWaalsContact O-CB 3.31Å; V27-C31 WeakPolarHBondContact O-CB 3.36Å; V27-C31 PolarHBondContact O-N 2.8Å
28F68.2Low75.1Confident143 Ų143119.8 Ų119.863%0.62758%0.575SS**Hα-helixtrans-65.1-33.3173.3-91.5-85.4000111.9L24 C31 R32L24-F28 HydrophobicContact CD2-CD2 3.9Å; L24-F28 HydrophobicContact CD2-CE2 3.61Å; L24-F28 VanDerWaalsContact O-CB 3.26Å; L24-F28 WeakPolarHBondContact O-CB 3.32Å; L24-F28 VanDerWaalsContact O-CD2 3.29Å; L24-F28 WeakPolarHBondContact O-CD2 3.24Å; L24-F28 PolarHBondContact O-N 3.31Å; F28-C31 CarbonylContact O-C 3.59Å; F28-C31 PolarHBondContact O-N 2.75Å; F28-R32 WeakPolarHBondContact O-CB 3.31Å; F28-R32 PolarHBondContact O-N 3.35Å
29G62.3Low75.8Confident50 Ų50121.8 Ų121.852%0.51558%0.578SS.*Hα-helixtrans-65.9-38.4172.200000112.9G25 W26 V27G25-G29 PolarHBondContact O-N 2.78Å; W26-G29 PolarHBondContact O-N 2.82Å; V27-G29 VanDerWaalsContact C-N 3.31Å; V27-G29 PolarHBondContact O-N 3.23Å
30R60.6Low76.5Confident185 Ų185120.5 Ų120.570%0.69858%0.575SS**Hα-helixtrans-70.2-36.7169.8-87.3-173.9169.6179.1-0.4112.9W26 V27W26-R30 PolarHBondContact O-N 3.26Å; V27-R30 CarbonylContact O-C 3.39Å; V27-R30 PolarHBondContact O-N 3.46Å
31C53.7Low77.1Confident92 Ų92118 Ų11862%0.62256%0.556SS**Hα-helixtrans-84.3-6.6178.7-78.70000113.8V27 F28 R33V27-C31 VanDerWaalsContact O-CB 3.31Å; V27-C31 WeakPolarHBondContact O-CB 3.36Å; V27-C31 PolarHBondContact O-N 2.8Å; F28-C31 CarbonylContact O-C 3.59Å; F28-C31 PolarHBondContact O-N 2.75Å; C31-R33 PolarHBondContact O-N 3.48Å
32R52.7Low77.7Confident212 Ų212119.5 Ų119.580%0.856%0.559SS**SBendtrans-69.581.3169.8-165.2174.8-175172.21.4106.3F28 R34F28-R32 WeakPolarHBondContact O-CB 3.31Å; F28-R32 PolarHBondContact O-N 3.35Å; R32-R34 PolarHBondContact O-N 3.1Å
33R56.4Low78.5Confident237 Ų237113.5 Ų113.589%0.89453%0.53SS*.  trans-44.4106.7169.7-89.4179.2170.9163.9-4.1106.2C31 R35C31-R33 PolarHBondContact O-N 3.48Å; R33-R35 PolarHBondContact O-N 2.83Å; R33-R35 VanDerWaalsContact O-N 3.14Å
34R62.5Low79.2Confident235 Ų235111.6 Ų111.689%0.88753%0.525SS*.  trans-50125.7159.9-104.1-179.9173.3176-1.5104.5R32 T36R32-R34 PolarHBondContact O-N 3.1Å; R34-T36 PolarHBondContact O-N 2.72Å
35R70.6Confident79.9Confident245 Ų245107.8 Ų107.893%0.92551%0.505SS*.  trans-56.3111.5173.8-79.9-178.1169.3171.3-3.8106.1R33 L37R33-R35 PolarHBondContact O-N 2.83Å; R33-R35 VanDerWaalsContact O-N 3.14Å; R35-L37 PolarHBondContact O-N 3.26Å
36T84.1Confident80.7Confident62 Ų62113.8 Ų113.838%0.3852%0.518SS..  trans-62.9128.6174.937.10000107.6R34 N38 E185R34-T36 PolarHBondContact O-N 2.72Å; T36-N38 PolarHBondContact O-N 3Å; T36-N38 PolarHBondContact O-ND2 2.91Å; T36-N38 PolarHBondContact OG1-ND2 3.49Å; T36-E185 WeakPolarHBondContact CB-OE1 3.31Å; T36-E185 PolarHBondContact OG1-OE1 3.2Å
37L93.6Very high81.6Confident56 Ų56110.7 Ų110.729%0.29351%0.514SS..  trans-63.1126.8175177.568.2000108.1R35 L160 I182 T183 E184R35-L37 PolarHBondContact O-N 3.26Å; L37-L160 HydrophobicContact CD2-CD1 3.63Å; L37-I182 HydrophobicContact CD2-CG2 3.89Å; L37-T183 CarbonylContact O-C 3.57Å; L37-T183 WeakPolarHBondContact O-CA 3.15Å; L37-E184 HydrophobicContact CB-CB 4.36Å; L37-E184 HydrophobicContact CB-CG 3.99Å; L37-E184 PolarHBondContact O-N 2.99Å
38N96.3Very high82.6Confident89 Ų89108.1 Ų108.148%0.47650%0.499SS..EExtended strand (participates in β ladder)trans-143.2111.4174-74.1-57.9000108.1T36 I182 T183 E185T36-N38 PolarHBondContact O-N 3Å; T36-N38 PolarHBondContact O-ND2 2.91Å; T36-N38 PolarHBondContact OG1-ND2 3.49Å; N38-I182 CarbonylContact C-O 3.47Å; N38-I182 WeakPolarHBondContact CA-O 3.37Å; N38-T183 WeakPolarHBondContact OD1-CB 3.39Å; N38-T183 PolarHBondContact OD1-OG1 3.21Å; N38-E185 PolarHBondContact ND2-OE1 2.91Å; N38-E185 WeakPolarHBondContact OD1-CG 3.46Å
39K97.4Very high83.8Confident89 Ų89101.5 Ų101.539%0.38747%0.47SS..EExtended strand (participates in β ladder)trans-138.2144.9-177-167.4172.4-170.1-179.80110.3L41 C76 I181 I182K39-L41 HydrophobicContact CD-CD2 3.82Å; K39-L41 VanDerWaalsContact CE-CD2 3.49Å; K39-L41 HydrophobicContact CG-CD2 3.92Å; K39-C76 PolarHBondContact NZ-SG 3.26Å; K39-I181 CarbonylContact O-C 3.57Å; K39-I181 WeakPolarHBondContact O-CA 3.18Å; K39-I182 HydrophobicContact CB-CB 4.38Å; K39-I182 PolarHBondContact N-O 3.45Å; K39-I182 PolarHBondContact O-N 3.38Å
40V98.4Very high85.3Confident77 Ų7799.5 Ų99.547%0.46745%0.448SS..EExtended strand (participates in β ladder)trans-118.7133.4171.1-173.60000107.9F42 I180 I181V40-F42 HydrophobicContact CG1-CD2 4.4Å; V40-F42 HydrophobicContact CG1-CE1 4.38Å; V40-F42 HydrophobicContact CG1-CE2 3.8Å; V40-F42 HydrophobicContact CG1-CZ 3.79Å; V40-I180 CarbonylContact C-O 3.58Å; V40-I180 WeakPolarHBondContact CA-O 3.33Å; V40-I181 HydrophobicContact CG2-CG1 4.33Å
41L98.5Very high86.9Confident10 Ų1093.9 Ų93.95%0.05243%0.43CS..EExtended strand (participates in β ladder)trans-116.4140.1172-43.9179.9000109.1K39 F43 S73 C76 L77 N179 I180 I182K39-L41 HydrophobicContact CD-CD2 3.82Å; K39-L41 VanDerWaalsContact CE-CD2 3.49Å; K39-L41 HydrophobicContact CG-CD2 3.92Å; L41-F43 HydrophobicContact CB-CE2 4.44Å; L41-S73 VanDerWaalsContact CD1-O 3.3Å; L41-S73 WeakPolarHBondContact CD1-O 3.36Å; L41-C76 HydrophobicContact CD1-CB 3.86Å; L41-C76 HydrophobicContact CD2-CB 4.36Å; L41-L77 HydrophobicContact CD1-CB 4.4Å; L41-N179 WeakPolarHBondContact O-CA 3.39Å; L41-I180 HydrophobicContact CB-CD1 4.2Å; L41-I180 HydrophobicContact CB-CG1 3.73Å; L41-I180 HydrophobicContact CD1-CD1 3.65Å; L41-I180 HydrophobicContact CD1-CG1 4.07Å; L41-I180 HydrophobicContact CG-CD1 4.14Å; L41-I180 HydrophobicContact CG-CG1 3.99Å; L41-I180 PolarHBondContact N-O 3.14Å; L41-I180 PolarHBondContact O-N 3.39Å; L41-I182 HydrophobicContact CD1-CD1 3.87Å; L41-I182 HydrophobicContact CG-CD1 4.3Å
42F98.6Very high88.6Confident141 Ų14191.9 Ų91.962%0.61841%0.411SS*.EExtended strand (participates in β ladder)trans-112.7151.2174.8-67.5-77.5000110.8V40 S73 E178 N179V40-F42 HydrophobicContact CG1-CD2 4.4Å; V40-F42 HydrophobicContact CG1-CE1 4.38Å; V40-F42 HydrophobicContact CG1-CE2 3.8Å; V40-F42 HydrophobicContact CG1-CZ 3.79Å; F42-S73 VanDerWaalsContact O-CB 3.3Å; F42-S73 WeakPolarHBondContact O-CB 3.14Å; F42-S73 PolarHBondContact O-OG 3.08Å; F42-E178 WeakPolarHBondContact CA-O 3.4Å; F42-N179 HydrophobicContact CD1-CB 3.89Å; F42-N179 HydrophobicContact CE1-CB 3.89Å
43F98.6Very high90.4Very high11 Ų1183.3 Ų83.35%0.04838%0.381CS..SBendtrans-121.3156.9177.2-62.1-94.1000109L41 L77 L166 V173 N176 M177 E178 I180L41-F43 HydrophobicContact CB-CE2 4.44Å; F43-L77 HydrophobicContact CZ-CD2 4.37Å; F43-L166 HydrophobicContact CD1-CD1 4.4Å; F43-L166 HydrophobicContact CD2-CD1 4.23Å; F43-L166 HydrophobicContact CD2-CD2 4.39Å; F43-L166 HydrophobicContact CE1-CD2 4.13Å; F43-L166 HydrophobicContact CE2-CD1 4.38Å; F43-L166 HydrophobicContact CE2-CD2 3.73Å; F43-L166 HydrophobicContact CE2-CG 4.48Å; F43-L166 HydrophobicContact CG-CD1 4.25Å; F43-L166 HydrophobicContact CZ-CD2 3.58Å; F43-V173 HydrophobicContact CD1-CG1 4.28Å; F43-V173 WeakPolarHBondContact CD1-O 3.25Å; F43-V173 HydrophobicContact CE1-CG1 4.21Å; F43-V173 HydrophobicContact CE1-CG2 4.44Å; F43-N176 CarbonylContact C-O 3.51Å; F43-N176 VanDerWaalsContact C-O 3.26Å; F43-M177 WeakPolarHBondContact O-CA 3.48Å; F43-E178 HydrophobicContact CB-CB 3.93Å; F43-E178 HydrophobicContact CD2-CB 4.02Å; F43-E178 HydrophobicContact CG-CB 4.27Å; F43-E178 PolarHBondContact N-O 3.02Å; F43-I180 HydrophobicContact CE2-CD1 4.15Å; F43-I180 HydrophobicContact CE2-CG1 4.02Å; F43-I180 HydrophobicContact CE2-CG2 4.11Å; F43-I180 HydrophobicContact CZ-CD1 4.23Å
44P98.3Very high92.1Very high69 Ų6973.4 Ų73.445%0.44835%0.345SS..SBendcis-72.6139.312.728.5-35.6000113.4Q174 N176P44-Q174 VanDerWaalsContact CB-C 3.46Å; P44-Q174 WeakPolarHBondContact CB-O 3.48Å; P44-N176 WeakPolarHBondContact CD-O 3.3Å
45S97.4Very high93.1Very high8 Ų864.7 Ų64.76%0.05632%0.32CS..PPolyproline II helixtrans-81.4135.8173.3-175.60000109.8T72 F74 V173S45-T72 WeakPolarHBondContact OG-CB 3.45Å; S45-T72 PolarHBondContact OG-OG1 3.07Å; S45-F74 WeakPolarHBondContact OG-CB 3.49Å; S45-F74 PolarHBondContact OG-N 3.01Å; S45-F74 VanDerWaalsContact OG-N 3.11Å; S45-V173 PolarHBondContact N-O 3.21Å
46K95.8Very high92.7Very high173 Ų17360.9 Ų60.975%0.75231%0.312SS*.PPolyproline II helixtrans-58.8146.8167.7-62.8-176.6-178.1-179.60110.1T72K46-T72 HydrophobicContact CB-CG2 4.31Å
47V95.5Very high91.5Very high74 Ų7464.7 Ų64.745%0.44833%0.331SS..PPolyproline II helixtrans-78.1129.7176.9-173.30000109.8L66V47-L66 HydrophobicContact CG1-CD1 4.23Å; V47-L66 HydrophobicContact CG1-CD2 3.83Å
48S94.9Very high89.6Confident12 Ų1265.5 Ų65.58%0.08434%0.341CS..  trans-147.9159.6177.359.70000111.4V50 P67 T72S48-V50 PolarHBondContact O-N 2.97Å; S48-P67 CarbonylContact C-O 3.26Å; S48-P67 WeakPolarHBondContact CA-O 3.44Å; S48-P67 WeakPolarHBondContact CB-O 3.36Å; S48-T72 VanDerWaalsContact OG-CG2 3.31Å; S48-T72 WeakPolarHBondContact OG-CG2 3.44Å
49C94Very high87.7Confident4 Ų466 Ų663%0.02736%0.357CS..  trans-66.6125175.3-172.90000109.5E51 H52 C62 L66 P67C49-E51 VanDerWaalsContact SG-CB 3.58Å; C49-E51 VanDerWaalsContact SG-CG 3.6Å; C49-E51 PolarHBondContact SG-N 2.77Å; C49-H52 PolarHBondContact O-CE1 2.71Å; C49-H52 VanDerWaalsContact O-CE1 3.27Å; C49-H52 PolarHBondContact O-ND1 2.75Å; C49-H52 VanDerWaalsContact O-ND1 3.12Å; C49-C62 WeakPolarHBondContact CB-SG 3.2Å; C49-C62 WeakPolarHBondContact SG-CB 3.44Å; C49-C62 CovalentContact SG-SG 2.11Å; C49-C62 PolarHBondContact SG-SG 3.12Å; C49-L66 HydrophobicContact CB-CB 4.24Å; C49-P67 PolarHBondContact N-O 3.47Å
50V94.2Very high85.9Confident9 Ų965.1 Ų65.16%0.05536%0.361CS..  trans-105.9-1.3174.8-64.90000113.4S48 H52 L53 F54 F74 L78 D99S48-V50 PolarHBondContact O-N 2.97Å; V50-H52 PolarHBondContact O-N 2.7Å; V50-H52 VanDerWaalsContact O-N 3.15Å; V50-L53 HydrophobicContact CB-CD1 4.24Å; V50-L53 HydrophobicContact CG1-CD1 4.41Å; V50-L53 VanDerWaalsContact O-CB 3.27Å; V50-L53 WeakPolarHBondContact O-CB 3.32Å; V50-L53 PolarHBondContact O-N 3.49Å; V50-F54 HydrophobicContact CB-CE2 4.36Å; V50-F54 HydrophobicContact CG2-CE2 4.04Å; V50-F54 WeakPolarHBondContact O-CD2 3.42Å; V50-F74 HydrophobicContact CG1-CD1 4.28Å; V50-F74 HydrophobicContact CG1-CE1 4.49Å; V50-L78 HydrophobicContact CB-CD1 4.01Å; V50-L78 HydrophobicContact CG1-CD1 3.85Å; V50-L78 HydrophobicContact CG2-CD1 4.34Å; V50-D99 HydrophobicContact CG2-CB 4.49Å
51E92.8Very high84.4Confident67 Ų6764 Ų6431%0.31336%0.357SS..G310 helixtrans-58.9-31.3-177-63.3-62143.300113.4C49 L53 F54 S55 C62 R102C49-E51 VanDerWaalsContact SG-CB 3.58Å; C49-E51 VanDerWaalsContact SG-CG 3.6Å; C49-E51 PolarHBondContact SG-N 2.77Å; E51-L53 PolarHBondContact O-N 2.97Å; E51-L53 VanDerWaalsContact O-N 3.16Å; E51-F54 PolarHBondContact O-N 3.33Å; E51-S55 PolarHBondContact O-N 3.5Å; E51-S55 PolarHBondContact O-OG 3.08Å; E51-C62 HydrophobicContact CB-CB 3.77Å; E51-C62 HydrophobicContact CG-CB 3.9Å; E51-R102 IonicContact OE1-NH1 2.59Å; E51-R102 PolarHBondContact OE1-NH1 2.92Å; E51-R102 IonicContact OE2-NH1 3.78Å; E51-R102 PolarHBondContact OE2-NH1 3.34Å
52H89.3Confident83.6Confident49 Ų4964.6 Ų64.623%0.22736%0.362CS..G310 helixtrans-60.6-22.7175.172.4-85000113.1C49 V50 F54C49-H52 PolarHBondContact O-CE1 2.71Å; C49-H52 VanDerWaalsContact O-CE1 3.27Å; C49-H52 PolarHBondContact O-ND1 2.75Å; C49-H52 VanDerWaalsContact O-ND1 3.12Å; V50-H52 PolarHBondContact O-N 2.7Å; V50-H52 VanDerWaalsContact O-N 3.15Å; H52-F54 VanDerWaalsContact C-N 3.33Å
53L92Very high83Confident32 Ų3268 Ų6817%0.16838%0.377CS..G310 helixtrans-77.7-20.5176.7-58.2179.8000112.7V50 E51 L78 R79 L82V50-L53 HydrophobicContact CB-CD1 4.24Å; V50-L53 HydrophobicContact CG1-CD1 4.41Å; V50-L53 VanDerWaalsContact O-CB 3.27Å; V50-L53 WeakPolarHBondContact O-CB 3.32Å; V50-L53 PolarHBondContact O-N 3.49Å; E51-L53 PolarHBondContact O-N 2.97Å; E51-L53 VanDerWaalsContact O-N 3.16Å; L53-L78 HydrophobicContact CD1-CB 3.78Å; L53-L78 HydrophobicContact CD1-CD1 4.09Å; L53-R79 HydrophobicContact CD1-CG 4.37Å; L53-R79 HydrophobicContact CD2-CG 3.66Å; L53-L82 HydrophobicContact CB-CD1 3.91Å
54F91.1Very high82.6Confident29 Ų2969.6 Ų69.613%0.12739%0.389CS..THydrogen-bonded Turntrans-101.5-12.9-176.6-61.1-76.6000113.2V50 E51 H52 L78 L82 R102 A103 L106V50-F54 HydrophobicContact CB-CE2 4.36Å; V50-F54 HydrophobicContact CG2-CE2 4.04Å; V50-F54 WeakPolarHBondContact O-CD2 3.42Å; E51-F54 PolarHBondContact O-N 3.33Å; H52-F54 VanDerWaalsContact C-N 3.33Å; F54-L78 HydrophobicContact CZ-CD2 4.21Å; F54-L82 HydrophobicContact CE1-CD1 4.27Å; F54-L82 HydrophobicContact CE1-CD2 4.4Å; F54-R102 HydrophobicContact CD1-CG 3.92Å; F54-R102 HydrophobicContact CE1-CB 4.16Å; F54-R102 HydrophobicContact CE1-CG 3.78Å; F54-R102 HydrophobicContact CG-CG 4.5Å; F54-R102 HydrophobicContact CZ-CB 4.36Å; F54-R102 HydrophobicContact CZ-CG 4.25Å; F54-A103 HydrophobicContact CE1-CB 3.94Å; F54-A103 HydrophobicContact CZ-CB 4.38Å; F54-L106 HydrophobicContact CD1-CD2 3.86Å
55S83.3Confident82.3Confident52 Ų5272.8 Ų72.836%0.36441%0.409SS..  trans-97.7125.9-178.2-62.20000111.4E51 N57E51-S55 PolarHBondContact O-N 3.5Å; E51-S55 PolarHBondContact O-OG 3.08Å; S55-N57 VanDerWaalsContact C-N 3.35Å
56Q63.5Low82.1Confident165 Ų16575.7 Ų75.777%0.77142%0.424SS*.SBendtrans-79-17.5179.1-65.5-170.416.600113.6
57N57.8Low82Confident143 Ų14370.7 Ų70.777%0.76541%0.41SS*.SBendtrans-129135.2179.5-90-21.7000109.7S55S55-N57 VanDerWaalsContact C-N 3.35Å
58S54.1Low81.8Confident72 Ų7270.3 Ų70.350%0.50340%0.402SS..  trans83.5119.8179.566.30000117.5C60 S61S58-C60 PolarHBondContact O-N 3.39Å; S58-S61 WeakPolarHBondContact OG-CB 3.46Å; S58-S61 PolarHBondContact OG-OG 3.3Å
59A56.2Low81.4Confident99 Ų9972.7 Ų72.782%0.81843%0.429SS*.THydrogen-bonded Turntrans-56.7116.2156.500000108
60C59.4Low81.2Confident71 Ų7175.6 Ų75.648%0.4845%0.446SS..THydrogen-bonded Turntrans55.473.9172.3-58.20000116S58S58-C60 PolarHBondContact O-N 3.39Å
61S67.1Low81.1Confident54 Ų5481 Ų8138%0.37847%0.471SS..  trans-98.50.2170.650.90000115.5S58S58-S61 WeakPolarHBondContact OG-CB 3.46Å; S58-S61 PolarHBondContact OG-OG 3.3Å
62C81.8Confident81.4Confident23 Ų2378.4 Ų78.416%0.15546%0.46CS..  trans-77.1127.9171.248.90000110.2C49 E51 C64 H68C49-C62 WeakPolarHBondContact CB-SG 3.2Å; C49-C62 WeakPolarHBondContact SG-CB 3.44Å; C49-C62 CovalentContact SG-SG 2.11Å; C49-C62 PolarHBondContact SG-SG 3.12Å; E51-C62 HydrophobicContact CB-CB 3.77Å; E51-C62 HydrophobicContact CG-CB 3.9Å; C62-C64 VanDerWaalsContact C-N 3.28Å; C62-H68 PolarHBondContact O-NE2 2.72Å; C62-H68 VanDerWaalsContact O-NE2 3.12Å; C62-H68 PolarHBondContact SG-CD2 3.27Å; C62-H68 PolarHBondContact SG-NE2 3.13Å
63F85.2Confident81.8Confident213 Ų21377.5 Ų77.593%0.93446%0.459SS*.  trans-93.930.2170.6-69.3-80.9000112
64C90.2Very high82.1Confident43 Ų4376.8 Ų76.829%0.29146%0.455SS..  trans-80.7162.7-176.375.70000111.2C62 L66 H68C62-C64 VanDerWaalsContact C-N 3.28Å; C64-L66 PolarHBondContact O-N 2.98Å; C64-H68 PolarHBondContact O-CE1 2.69Å; C64-H68 VanDerWaalsContact O-CE1 3.31Å; C64-H68 VanDerWaalsContact SG-CE1 3.6Å
65P93.1Very high82.4Confident136 Ų13675.4 Ų75.488%0.88345%0.449SS*.SBendtrans-79.20.3-179.632.1-36.3000113.8
66L93.9Very high83.1Confident69 Ų6973.2 Ų73.236%0.36143%0.433SS..SBendtrans-77.2155.6-175.6-60.9-179.8000111.9V47 C49 C64 H68V47-L66 HydrophobicContact CG1-CD1 4.23Å; V47-L66 HydrophobicContact CG1-CD2 3.83Å; C49-L66 HydrophobicContact CB-CB 4.24Å; C64-L66 PolarHBondContact O-N 2.98Å; L66-H68 PolarHBondContact O-CE1 2.89Å; L66-H68 PolarHBondContact O-N 3.49Å; L66-H68 PolarHBondContact O-ND1 3.03Å
67P92.9Very high84.7Confident69 Ų6965.4 Ų65.445%0.44840%0.397SS..  trans-58.9130.2171.8-24.734.3000112.2S48 C49 V70S48-P67 CarbonylContact C-O 3.26Å; S48-P67 WeakPolarHBondContact CA-O 3.44Å; S48-P67 WeakPolarHBondContact CB-O 3.36Å; C49-P67 PolarHBondContact N-O 3.47Å; P67-V70 HydrophobicContact CB-CG2 3.91Å
68H90.8Very high86.6Confident65 Ų6558.6 Ų58.630%0.30136%0.36SS..  trans-104.5154178.8-66.172.3000111.3C62 C64 L66 V70C62-H68 PolarHBondContact O-NE2 2.72Å; C62-H68 VanDerWaalsContact O-NE2 3.12Å; C62-H68 PolarHBondContact SG-CD2 3.27Å; C62-H68 PolarHBondContact SG-NE2 3.13Å; C64-H68 PolarHBondContact O-CE1 2.69Å; C64-H68 VanDerWaalsContact O-CE1 3.31Å; C64-H68 VanDerWaalsContact SG-CE1 3.6Å; L66-H68 PolarHBondContact O-CE1 2.89Å; L66-H68 PolarHBondContact O-N 3.49Å; L66-H68 PolarHBondContact O-ND1 3.03Å; H68-V70 PolarHBondContact O-N 2.73Å; H68-V70 VanDerWaalsContact O-N 3.13Å
69G85.9Confident88.7Confident62 Ų6258.7 Ų58.764%0.63935%0.35SS*.SBendtrans66.411.8177.200000114.5
70V90.7Very high90.7Very high65 Ų6555.6 Ų55.639%0.39432%0.318SS..  trans-94.4121.3179.4-176.10000109.9P67 H68 T72P67-V70 HydrophobicContact CB-CG2 3.91Å; H68-V70 PolarHBondContact O-N 2.73Å; H68-V70 VanDerWaalsContact O-N 3.13Å; V70-T72 HydrophobicContact CG1-CG2 4.03Å; V70-T72 PolarHBondContact O-N 3.02Å
71E93.1Very high92.6Very high122 Ų12252.2 Ų52.257%0.5730%0.295SS*.  trans-73114170.1-69-59.1132.600110.9R79E71-R79 IonicContact OE1-CZ 3.13Å; E71-R79 IonicContact OE1-NH1 2.73Å; E71-R79 PolarHBondContact OE1-NH1 3.49Å; E71-R79 IonicContact OE1-NH2 3.01Å; E71-R79 PolarHBondContact OE1-NH2 3.3Å; E71-R79 IonicContact OE2-CZ 3.87Å; E71-R79 IonicContact OE2-NH1 3.84Å; E71-R79 PolarHBondContact OE2-NH1 2.93Å; E71-R79 IonicContact OE2-NH2 3.96Å; E71-R79 PolarHBondContact OE2-NH2 3.01Å
72T97.4Very high94.1Very high14 Ų1451 Ų519%0.08628%0.284CS..  trans-119.2160.7175.868.10000111.3S45 K46 S48 V70 F74 S75 C76S45-T72 WeakPolarHBondContact OG-CB 3.45Å; S45-T72 PolarHBondContact OG-OG1 3.07Å; K46-T72 HydrophobicContact CB-CG2 4.31Å; S48-T72 VanDerWaalsContact OG-CG2 3.31Å; S48-T72 WeakPolarHBondContact OG-CG2 3.44Å; V70-T72 HydrophobicContact CG1-CG2 4.03Å; V70-T72 PolarHBondContact O-N 3.02Å; T72-F74 PolarHBondContact O-N 3.39Å; T72-S75 PolarHBondContact N-OG 3.41Å; T72-S75 PolarHBondContact O-N 3.45Å; T72-S75 PolarHBondContact O-OG 3.15Å; T72-S75 PolarHBondContact OG1-N 2.98Å; T72-S75 VanDerWaalsContact OG1-N 3.12Å; T72-S75 PolarHBondContact OG1-OG 2.98Å; T72-C76 WeakPolarHBondContact O-CB 3.49Å; T72-C76 PolarHBondContact O-N 3.33Å
73S98.2Very high94.8Very high30 Ų3052.9 Ų52.921%0.2130%0.298CS..Hα-helixtrans-52.1-41.6173.1-61.70000111.5L41 F42 C76 L77L41-S73 VanDerWaalsContact CD1-O 3.3Å; L41-S73 WeakPolarHBondContact CD1-O 3.36Å; F42-S73 VanDerWaalsContact O-CB 3.3Å; F42-S73 WeakPolarHBondContact O-CB 3.14Å; F42-S73 PolarHBondContact O-OG 3.08Å; S73-C76 PolarHBondContact O-N 2.87Å; S73-L77 PolarHBondContact O-N 3Å
74F98.2Very high95.5Very high17 Ų1743.1 Ų43.18%0.07526%0.256CS..Hα-helixtrans-67.9-45.7178.3-171.7-122.4000113.2S45 V50 T72 C76 L77 L78 D99 L100 V173S45-F74 WeakPolarHBondContact OG-CB 3.49Å; S45-F74 PolarHBondContact OG-N 3.01Å; S45-F74 VanDerWaalsContact OG-N 3.11Å; V50-F74 HydrophobicContact CG1-CD1 4.28Å; V50-F74 HydrophobicContact CG1-CE1 4.49Å; T72-F74 PolarHBondContact O-N 3.39Å; F74-C76 VanDerWaalsContact C-N 3.27Å; F74-C76 PolarHBondContact O-N 3.36Å; F74-L77 WeakPolarHBondContact O-CB 3.33Å; F74-L77 PolarHBondContact O-N 2.82Å; F74-L78 HydrophobicContact CD1-CD1 3.97Å; F74-L78 HydrophobicContact CE1-CD1 3.6Å; F74-L78 HydrophobicContact CE1-CG 4.36Å; F74-L78 HydrophobicContact CE2-CG 4.44Å; F74-L78 HydrophobicContact CZ-CD1 3.91Å; F74-L78 HydrophobicContact CZ-CG 4.21Å; F74-L78 PolarHBondContact O-N 2.92Å; F74-D99 HydrophobicContact CE1-CB 3.95Å; F74-D99 HydrophobicContact CZ-CB 3.84Å; F74-L100 HydrophobicContact CE2-CD1 4.05Å; F74-L100 HydrophobicContact CE2-CD2 4.15Å; F74-L100 HydrophobicContact CE2-CG 3.84Å; F74-L100 HydrophobicContact CZ-CG 4.15Å; F74-V173 HydrophobicContact CB-CG1 3.9Å; F74-V173 HydrophobicContact CD1-CG1 4.36Å; F74-V173 HydrophobicContact CD2-CB 4.36Å; F74-V173 HydrophobicContact CD2-CG1 3.48Å; F74-V173 VanDerWaalsContact CD2-CG1 3.48Å; F74-V173 HydrophobicContact CD2-CG2 3.88Å; F74-V173 HydrophobicContact CE2-CG1 4.05Å; F74-V173 HydrophobicContact CE2-CG2 3.92Å; F74-V173 HydrophobicContact CG-CG1 3.66Å
75S97.1Very high95.8Very high0 Ų045.3 Ų45.30%027%0.273CS..Hα-helixtrans-62.2-36.2176.368.40000112.2T72 L78 R79T72-S75 PolarHBondContact N-OG 3.41Å; T72-S75 PolarHBondContact O-N 3.45Å; T72-S75 PolarHBondContact O-OG 3.15Å; T72-S75 PolarHBondContact OG1-N 2.98Å; T72-S75 VanDerWaalsContact OG1-N 3.12Å; T72-S75 PolarHBondContact OG1-OG 2.98Å; S75-L78 PolarHBondContact O-N 3.44Å; S75-R79 WeakPolarHBondContact O-CG 3.44Å; S75-R79 PolarHBondContact O-N 3.06Å
76C97.8Very high96.1Very high5 Ų541.9 Ų41.93%0.03425%0.252CS..Hα-helixtrans-66.2-45.2175.6-178.80000111.2K39 L41 T72 S73 F74 R79 H80K39-C76 PolarHBondContact NZ-SG 3.26Å; L41-C76 HydrophobicContact CD1-CB 3.86Å; L41-C76 HydrophobicContact CD2-CB 4.36Å; T72-C76 WeakPolarHBondContact O-CB 3.49Å; T72-C76 PolarHBondContact O-N 3.33Å; S73-C76 PolarHBondContact O-N 2.87Å; F74-C76 VanDerWaalsContact C-N 3.27Å; F74-C76 PolarHBondContact O-N 3.36Å; C76-R79 PolarHBondContact O-N 3.47Å; C76-H80 PolarHBondContact O-N 3.31Å; C76-H80 PolarHBondContact O-ND1 2.97Å; C76-H80 VanDerWaalsContact SG-CE1 3.55Å
77L98.6Very high96.3Very high1 Ų139.9 Ų39.91%0.00524%0.244CC..Hα-helixtrans-56.2-50.8173169.857.3000111.2L41 F43 S73 F74 R79 H80 I81 L100 I162 L166 I180L41-L77 HydrophobicContact CD1-CB 4.4Å; F43-L77 HydrophobicContact CZ-CD2 4.37Å; S73-L77 PolarHBondContact O-N 3Å; F74-L77 WeakPolarHBondContact O-CB 3.33Å; F74-L77 PolarHBondContact O-N 2.82Å; L77-R79 VanDerWaalsContact C-N 3.3Å; L77-R79 PolarHBondContact O-N 3.49Å; L77-H80 PolarHBondContact O-N 3.1Å; L77-H80 VanDerWaalsContact O-N 3.14Å; L77-I81 HydrophobicContact CD1-CD1 3.72Å; L77-I81 HydrophobicContact CD1-CG1 4.16Å; L77-I81 HydrophobicContact CG-CD1 3.95Å; L77-I81 PolarHBondContact O-N 3.27Å; L77-I81 VanDerWaalsContact O-N 3.1Å; L77-L100 HydrophobicContact CD2-CD2 4.22Å; L77-L100 HydrophobicContact CG-CD2 4.35Å; L77-I162 HydrophobicContact CD1-CD1 4.14Å; L77-I162 HydrophobicContact CD1-CG2 3.72Å; L77-L166 HydrophobicContact CD2-CD2 3.77Å; L77-I180 HydrophobicContact CB-CD1 4.03Å; L77-I180 HydrophobicContact CD1-CD1 3.77Å; L77-I180 HydrophobicContact CD2-CD1 4.15Å; L77-I180 HydrophobicContact CG-CD1 4.19Å
78L98.2Very high96.6Very high0 Ų036.6 Ų36.60%022%0.222CC..Hα-helixtrans-56.4-41.9179.2-80.7170.2000112.3V50 L53 F54 F74 S75 H80 I81 L82 D99 L100 A103V50-L78 HydrophobicContact CB-CD1 4.01Å; V50-L78 HydrophobicContact CG1-CD1 3.85Å; V50-L78 HydrophobicContact CG2-CD1 4.34Å; L53-L78 HydrophobicContact CD1-CB 3.78Å; L53-L78 HydrophobicContact CD1-CD1 4.09Å; F54-L78 HydrophobicContact CZ-CD2 4.21Å; F74-L78 HydrophobicContact CD1-CD1 3.97Å; F74-L78 HydrophobicContact CE1-CD1 3.6Å; F74-L78 HydrophobicContact CE1-CG 4.36Å; F74-L78 HydrophobicContact CE2-CG 4.44Å; F74-L78 HydrophobicContact CZ-CD1 3.91Å; F74-L78 HydrophobicContact CZ-CG 4.21Å; F74-L78 PolarHBondContact O-N 2.92Å; S75-L78 PolarHBondContact O-N 3.44Å; L78-H80 PolarHBondContact O-N 3.39Å; L78-I81 PolarHBondContact O-N 2.94Å; L78-L82 VanDerWaalsContact O-CB 3.27Å; L78-L82 WeakPolarHBondContact O-CB 3.32Å; L78-L82 VanDerWaalsContact O-CG 3.25Å; L78-L82 WeakPolarHBondContact O-CG 3.33Å; L78-L82 PolarHBondContact O-N 3.12Å; L78-D99 HydrophobicContact CD1-CB 4.41Å; L78-L100 HydrophobicContact CD2-CD2 3.86Å; L78-L100 HydrophobicContact CG-CD2 4.49Å; L78-A103 HydrophobicContact CD2-CB 3.9Å
79R97.6Very high97Very high74 Ų7434.1 Ų34.128%0.27921%0.211SC..Hα-helixtrans-62.5-39.5177.5-76.4-167.3-142.990.512.8113.8L53 E71 S75 C76 L77 L82 S83L53-R79 HydrophobicContact CD1-CG 4.37Å; L53-R79 HydrophobicContact CD2-CG 3.66Å; E71-R79 IonicContact OE1-CZ 3.13Å; E71-R79 IonicContact OE1-NH1 2.73Å; E71-R79 PolarHBondContact OE1-NH1 3.49Å; E71-R79 IonicContact OE1-NH2 3.01Å; E71-R79 PolarHBondContact OE1-NH2 3.3Å; E71-R79 IonicContact OE2-CZ 3.87Å; E71-R79 IonicContact OE2-NH1 3.84Å; E71-R79 PolarHBondContact OE2-NH1 2.93Å; E71-R79 IonicContact OE2-NH2 3.96Å; E71-R79 PolarHBondContact OE2-NH2 3.01Å; S75-R79 WeakPolarHBondContact O-CG 3.44Å; S75-R79 PolarHBondContact O-N 3.06Å; C76-R79 PolarHBondContact O-N 3.47Å; L77-R79 VanDerWaalsContact C-N 3.3Å; L77-R79 PolarHBondContact O-N 3.49Å; R79-L82 PolarHBondContact O-N 3.14Å; R79-S83 WeakPolarHBondContact O-CB 3.34Å; R79-S83 PolarHBondContact O-N 3.28Å
80H98.3Very high97.6Very high34 Ų3431.2 Ų31.216%0.15718%0.181CC..Hα-helixtrans-70.9-36.6179.4-68.680.3000111.1C76 L77 L78 S83 L160 I162 I182C76-H80 PolarHBondContact O-N 3.31Å; C76-H80 PolarHBondContact O-ND1 2.97Å; C76-H80 VanDerWaalsContact SG-CE1 3.55Å; L77-H80 PolarHBondContact O-N 3.1Å; L77-H80 VanDerWaalsContact O-N 3.14Å; L78-H80 PolarHBondContact O-N 3.39Å; H80-S83 PolarHBondContact O-N 3.19Å; H80-S83 PolarHBondContact O-OG 2.92Å; H80-L160 HydrophobicContact CB-CD2 4.39Å; H80-I162 HydrophobicContact CB-CD1 3.86Å; H80-I182 HydrophobicContact CB-CD1 4.39Å
81I98.6Very high97.9Very high0 Ų028.1 Ų28.10%016%0.162CC..Hα-helixtrans-62.7-51.8171-65.8165.6000109.9L77 L78 S83 A84 L88 L100 A103 L107 I162 W168L77-I81 HydrophobicContact CD1-CD1 3.72Å; L77-I81 HydrophobicContact CD1-CG1 4.16Å; L77-I81 HydrophobicContact CG-CD1 3.95Å; L77-I81 PolarHBondContact O-N 3.27Å; L77-I81 VanDerWaalsContact O-N 3.1Å; L78-I81 PolarHBondContact O-N 2.94Å; I81-S83 PolarHBondContact O-N 3.03Å; I81-S83 VanDerWaalsContact O-N 3.13Å; I81-A84 WeakPolarHBondContact O-CB 3.5Å; I81-A84 PolarHBondContact O-N 3.15Å; I81-A84 VanDerWaalsContact O-N 3.11Å; I81-L88 HydrophobicContact CG2-CD2 4.22Å; I81-L100 HydrophobicContact CD1-CD2 3.43Å; I81-L100 VanDerWaalsContact CD1-CD2 3.43Å; I81-A103 HydrophobicContact CG2-CB 4.22Å; I81-L107 HydrophobicContact CG2-CD1 3.94Å; I81-L107 VanDerWaalsContact O-CD1 3.32Å; I81-L107 WeakPolarHBondContact O-CD1 3.44Å; I81-I162 HydrophobicContact CG1-CD1 3.95Å; I81-W168 HydrophobicContact CD1-CH2 3.38Å; I81-W168 HydrophobicContact CD1-CZ2 3.78Å; I81-W168 HydrophobicContact CD1-CZ3 4.07Å; I81-W168 HydrophobicContact CG1-CH2 4.09Å
82L98.1Very high98.1Very high29 Ų2922.3 Ų22.315%0.15214%0.135CC..Hα-helixtrans-66.1-13.5-178.4-72.2170000114.1L53 F54 L78 R79 A84 A103 L106 L107L53-L82 HydrophobicContact CB-CD1 3.91Å; F54-L82 HydrophobicContact CE1-CD1 4.27Å; F54-L82 HydrophobicContact CE1-CD2 4.4Å; L78-L82 VanDerWaalsContact O-CB 3.27Å; L78-L82 WeakPolarHBondContact O-CB 3.32Å; L78-L82 VanDerWaalsContact O-CG 3.25Å; L78-L82 WeakPolarHBondContact O-CG 3.33Å; L78-L82 PolarHBondContact O-N 3.12Å; R79-L82 PolarHBondContact O-N 3.14Å; L82-A84 PolarHBondContact O-N 2.53Å; L82-A103 HydrophobicContact CD2-CB 3.83Å; L82-A103 HydrophobicContact CG-CB 4.11Å; L82-L106 HydrophobicContact CD2-CD2 3.95Å; L82-L107 HydrophobicContact CD2-CG 4.46Å
83S97.8Very high98.1Very high62 Ų6222.2 Ų22.243%0.43413%0.134SC..THydrogen-bonded Turntrans-75.6-7.3173.173.80000114.3R79 H80 I81 S85R79-S83 WeakPolarHBondContact O-CB 3.34Å; R79-S83 PolarHBondContact O-N 3.28Å; H80-S83 PolarHBondContact O-N 3.19Å; H80-S83 PolarHBondContact O-OG 2.92Å; I81-S83 PolarHBondContact O-N 3.03Å; I81-S83 VanDerWaalsContact O-N 3.13Å; S83-S85 PolarHBondContact O-N 3.48Å
84A98.4Very high98.1Very high8 Ų821.8 Ų21.87%0.06613%0.131CC..  trans-58.3129175.900000111I81 L82 L88 L107 V112 V156I81-A84 WeakPolarHBondContact O-CB 3.5Å; I81-A84 PolarHBondContact O-N 3.15Å; I81-A84 VanDerWaalsContact O-N 3.11Å; L82-A84 PolarHBondContact O-N 2.53Å; A84-L88 HydrophobicContact CB-CB 4.5Å; A84-L107 HydrophobicContact CB-CD1 3.98Å; A84-L107 HydrophobicContact CB-CD2 4.07Å; A84-L107 WeakPolarHBondContact O-CD2 3.5Å; A84-V112 HydrophobicContact CB-CG1 4.17Å; A84-V156 HydrophobicContact CB-CG1 3.65Å
85S98.1Very high98.1Very high90 Ų9021 Ų2163%0.62913%0.127SC*.SBendtrans-118.8-21.2-175.260.60000113.4S83 D157S83-S85 PolarHBondContact O-N 3.48Å; S85-D157 PolarHBondContact N-OD1 2.9Å; S85-D157 PolarHBondContact N-OD2 3.31Å; S85-D157 PolarHBondContact OG-OD2 2.95Å
86S98.4Very high98.2Very high64 Ų6423.1 Ų23.145%0.44814%0.142SC..SBendtrans-131.4-47.5-174.961.50000112.2T113 D157S86-T113 PolarHBondContact O-N 2.94Å; S86-D157 WeakPolarHBondContact CA-OD1 3.29Å; S86-D157 PolarHBondContact N-OD1 3.3Å; S86-D157 VanDerWaalsContact OG-CG 3.3Å; S86-D157 PolarHBondContact OG-OD1 3.24Å
87S98.8Very high98.2Very high27 Ų2723 Ų2319%0.18914%0.141CC..EExtended strand (participates in β ladder)trans-148.6148.9-176.365.10000113.4T113 D157S87-T113 CarbonylContact C-O 3.44Å; S87-T113 WeakPolarHBondContact CA-O 3.2Å; S87-D157 PolarHBondContact N-OD1 3.16Å; S87-D157 PolarHBondContact O-N 3.43Å; S87-D157 WeakPolarHBondContact OG-CA 3.39Å
88L98.9Very high98.2Very high0 Ų028.7 Ų28.70%017%0.169CC..EExtended strand (participates in β ladder)trans-135.2112169.417967.2000109.6I81 A84 V104 L107 V112 T113 I114 R115 A154 V156I81-L88 HydrophobicContact CG2-CD2 4.22Å; A84-L88 HydrophobicContact CB-CB 4.5Å; L88-V104 HydrophobicContact CD2-CG2 4.19Å; L88-L107 HydrophobicContact CD2-CD1 3.95Å; L88-V112 HydrophobicContact CB-CG1 4.46Å; L88-T113 PolarHBondContact N-O 3.48Å; L88-I114 HydrophobicContact CB-CG1 4.21Å; L88-I114 HydrophobicContact CB-CG2 4.39Å; L88-I114 HydrophobicContact CD2-CD1 4.38Å; L88-I114 HydrophobicContact CD2-CG2 4.39Å; L88-I114 WeakPolarHBondContact O-CA 3.36Å; L88-R115 PolarHBondContact O-N 2.98Å; L88-A154 HydrophobicContact CD1-CB 4.2Å; L88-V156 HydrophobicContact CD1-CG2 3.86Å
89D98.9Very high98.2Very high13 Ų1330.8 Ų30.87%0.0718%0.18CC..EExtended strand (participates in β ladder)trans-99.5118.3171.6-70.7-27.1000108.9R115 A154 V155 F196D89-R115 IonicContact OD1-CZ 3.37Å; D89-R115 IonicContact OD1-NE 3.32Å; D89-R115 PolarHBondContact OD1-NE 3.09Å; D89-R115 IonicContact OD1-NH2 3.12Å; D89-R115 PolarHBondContact OD1-NH2 3.07Å; D89-R115 VanDerWaalsContact OD1-NH2 3.13Å; D89-R115 IonicContact OD2-CZ 3.47Å; D89-R115 IonicContact OD2-NE 3.69Å; D89-R115 IonicContact OD2-NH2 2.77Å; D89-R115 PolarHBondContact OD2-NH2 3.45Å; D89-A154 CarbonylContact O-C 3.56Å; D89-A154 VanDerWaalsContact O-CA 3.22Å; D89-A154 WeakPolarHBondContact O-CA 3.37Å; D89-V155 HydrophobicContact CB-CB 4.33Å; D89-V155 PolarHBondContact N-O 2.83Å; D89-V155 PolarHBondContact O-N 3.49Å; D89-F196 HydrophobicContact CB-CD1 4.03Å; D89-F196 HydrophobicContact CB-CD2 3.91Å; D89-F196 HydrophobicContact CB-CE1 3.93Å; D89-F196 HydrophobicContact CB-CE2 3.77Å; D89-F196 HydrophobicContact CB-CG 4.04Å; D89-F196 HydrophobicContact CB-CZ 3.79Å
90L98.6Very high98.2Very high0 Ų027.2 Ų27.20%017%0.167CC..EExtended strand (participates in β ladder)trans-118.6122.8-173.7-177.663.7000110.9V92 F95 V104 R115 V116 L117 A154 W168L90-V92 HydrophobicContact CD1-CG1 3.49Å; L90-V92 VanDerWaalsContact CD1-CG1 3.49Å; L90-V92 HydrophobicContact CD2-CG1 4.27Å; L90-V92 HydrophobicContact CD2-CG2 4.03Å; L90-V92 HydrophobicContact CG-CB 4.49Å; L90-V92 HydrophobicContact CG-CG1 3.77Å; L90-V92 HydrophobicContact CG-CG2 3.97Å; L90-F95 HydrophobicContact CD2-CD1 4.11Å; L90-F95 HydrophobicContact CD2-CE1 3.7Å; L90-V104 HydrophobicContact CD2-CG2 4.41Å; L90-R115 PolarHBondContact N-O 3.49Å; L90-V116 HydrophobicContact CB-CG1 4.44Å; L90-V116 HydrophobicContact CB-CG2 4.25Å; L90-V116 HydrophobicContact CD2-CG1 4.19Å; L90-V116 HydrophobicContact CD2-CG2 4.35Å; L90-V116 HydrophobicContact CG-CG1 4.43Å; L90-V116 CarbonylContact O-C 3.56Å; L90-V116 WeakPolarHBondContact O-CA 3.36Å; L90-L117 PolarHBondContact O-N 2.99Å; L90-A154 HydrophobicContact CD1-CB 3.79Å; L90-W168 HydrophobicContact CD1-CD2 4.32Å; L90-W168 HydrophobicContact CD1-CE3 4.1Å; L90-W168 HydrophobicContact CD1-CH2 3.2Å; L90-W168 HydrophobicContact CD1-CZ2 3.44Å; L90-W168 VanDerWaalsContact CD1-CZ2 3.44Å; L90-W168 HydrophobicContact CD1-CZ3 3.56Å; L90-W168 HydrophobicContact CD2-CE3 4Å; L90-W168 HydrophobicContact CD2-CH2 4.09Å; L90-W168 HydrophobicContact CD2-CZ3 3.58Å; L90-W168 HydrophobicContact CG-CH2 4.29Å; L90-W168 HydrophobicContact CG-CZ3 4.24Å
91C98Very high98.2Very high0 Ų025.7 Ų25.70%016%0.16CC..EExtended strand (participates in β ladder)trans-120.9101176.8-159.70000109L117 M149 H151 K152 F153 F196C91-L117 HydrophobicContact CB-CB 4.44Å; C91-M149 PolarHBondContact SG-SD 3.37Å; C91-H151 HydrophobicContact CB-CB 4.36Å; C91-H151 CarbonylContact O-C 3.5Å; C91-K152 CarbonylContact O-C 3.52Å; C91-K152 VanDerWaalsContact O-CA 3.29Å; C91-K152 WeakPolarHBondContact O-CA 3.06Å; C91-F153 HydrophobicContact CB-CD1 3.75Å; C91-F153 HydrophobicContact CB-CD2 4.13Å; C91-F153 HydrophobicContact CB-CE1 3.4Å; C91-F153 VanDerWaalsContact CB-CE1 3.4Å; C91-F153 HydrophobicContact CB-CE2 3.8Å; C91-F153 HydrophobicContact CB-CG 4.1Å; C91-F153 HydrophobicContact CB-CZ 3.43Å; C91-F153 VanDerWaalsContact CB-CZ 3.43Å; C91-F153 PolarHBondContact N-O 2.85Å; C91-F153 PolarHBondContact O-N 3.42Å; C91-F153 VanDerWaalsContact O-O 3.13Å; C91-F196 HydrophobicContact CB-CD2 4.13Å; C91-F196 HydrophobicContact CB-CE2 4.38Å
92V97.3Very high98.2Very high1 Ų131 Ų311%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-132.1122.6-170.7-72.90000112.7L90 F95 V116 L117 S118 H151 W168L90-V92 HydrophobicContact CD1-CG1 3.49Å; L90-V92 VanDerWaalsContact CD1-CG1 3.49Å; L90-V92 HydrophobicContact CD2-CG1 4.27Å; L90-V92 HydrophobicContact CD2-CG2 4.03Å; L90-V92 HydrophobicContact CG-CB 4.49Å; L90-V92 HydrophobicContact CG-CG1 3.77Å; L90-V92 HydrophobicContact CG-CG2 3.97Å; V92-F95 HydrophobicContact CG2-CB 4.02Å; V92-F95 HydrophobicContact CG2-CD1 3.91Å; V92-F95 HydrophobicContact CG2-CG 4.35Å; V92-V116 HydrophobicContact CG2-CG1 4.43Å; V92-L117 PolarHBondContact N-O 3.33Å; V92-S118 VanDerWaalsContact O-CA 3.29Å; V92-S118 WeakPolarHBondContact O-CA 3.43Å; V92-S118 WeakPolarHBondContact O-CB 3.26Å; V92-S118 PolarHBondContact O-OG 2.92Å; V92-H151 CarbonylContact C-O 3.57Å; V92-H151 WeakPolarHBondContact CA-O 3.06Å; V92-W168 HydrophobicContact CG1-CD2 3.81Å; V92-W168 HydrophobicContact CG1-CE3 4.33Å; V92-W168 HydrophobicContact CG1-CG 3.88Å
93F97.3Very high98.2Very high12 Ų1229.6 Ų29.65%0.05317%0.172CC..SBendtrans-60.1-53.2175.2178.1-120.1000112.7D119 Y122 H148 M149 H150 H151 K152 N167F93-D119 HydrophobicContact CD2-CB 3.72Å; F93-D119 HydrophobicContact CE2-CB 4.04Å; F93-Y122 HydrophobicContact CD2-CD2 4.35Å; F93-Y122 HydrophobicContact CE1-CD1 4.11Å; F93-Y122 HydrophobicContact CE1-CD2 4.15Å; F93-Y122 AromaticContact CE1-CE1 3.75Å; F93-Y122 HydrophobicContact CE1-CE1 3.75Å; F93-Y122 AromaticContact CE1-CE2 3.82Å; F93-Y122 HydrophobicContact CE1-CE2 3.82Å; F93-Y122 HydrophobicContact CE1-CG 4.28Å; F93-Y122 AromaticContact CE1-CZ 3.58Å; F93-Y122 AromaticContact CE2-CD2 3.53Å; F93-Y122 HydrophobicContact CE2-CD2 3.53Å; F93-Y122 AromaticContact CE2-CE2 3.63Å; F93-Y122 HydrophobicContact CE2-CE2 3.63Å; F93-Y122 HydrophobicContact CE2-CG 4.14Å; F93-Y122 HydrophobicContact CZ-CD1 4.24Å; F93-Y122 AromaticContact CZ-CD2 3.44Å; F93-Y122 HydrophobicContact CZ-CD2 3.44Å; F93-Y122 VanDerWaalsContact CZ-CD2 3.44Å; F93-Y122 AromaticContact CZ-CE1 3.92Å; F93-Y122 HydrophobicContact CZ-CE1 3.92Å; F93-Y122 AromaticContact CZ-CE2 3.08Å; F93-Y122 HydrophobicContact CZ-CE2 3.08Å; F93-Y122 HydrophobicContact CZ-CG 4.01Å; F93-Y122 AromaticContact CZ-CZ 3.32Å; F93-Y122 VanDerWaalsContact O-CB 3.26Å; F93-Y122 WeakPolarHBondContact O-CB 3.2Å; F93-H148 HydrophobicContact CE2-CB 4.03Å; F93-M149 VanDerWaalsContact CD2-O 3.27Å; F93-M149 WeakPolarHBondContact CD2-O 3.33Å; F93-H150 AromaticContact CD1-CD2 3.51Å; F93-H150 AromaticContact CD1-NE2 3.69Å; F93-H150 HydrophobicContact CD2-CB 4.47Å; F93-H150 AromaticContact CD2-CD2 3.7Å; F93-H150 AromaticContact CE1-CD2 3.53Å; F93-H150 AromaticContact CE1-NE2 3.69Å; F93-H150 AromaticContact CE2-CD2 3.74Å; F93-H150 AromaticContact CG-CD2 3.56Å; F93-H150 AromaticContact CZ-CD2 3.61Å; F93-H151 PolarHBondContact N-O 3.28Å; F93-K152 VanDerWaalsContact CB-NZ 3.3Å; F93-N167 WeakPolarHBondContact CD1-OD1 3.46Å
94S97.6Very high98.3Very high21 Ų2126.6 Ų26.615%0.14715%0.152CC..  trans-133.9132.6179-179.50000110.8W168 T169S94-W168 PolarHBondContact O-N 3.3Å; S94-T169 WeakPolarHBondContact OG-CG2 3.44Å
95F98.3Very high98.3Very high0 Ų028.7 Ų28.70%016%0.162CC..BIsolated β-bridgetrans-137.8100.9-175-168.8174.9000110.9L90 V92 N97 L100 V104 S128 Q129 I130 L133 W168L90-F95 HydrophobicContact CD2-CD1 4.11Å; L90-F95 HydrophobicContact CD2-CE1 3.7Å; V92-F95 HydrophobicContact CG2-CB 4.02Å; V92-F95 HydrophobicContact CG2-CD1 3.91Å; V92-F95 HydrophobicContact CG2-CG 4.35Å; F95-N97 WeakPolarHBondContact CE2-O 3.49Å; F95-L100 HydrophobicContact CE2-CB 3.69Å; F95-L100 HydrophobicContact CZ-CB 4.03Å; F95-V104 HydrophobicContact CE1-CG2 4.42Å; F95-V104 HydrophobicContact CZ-CG2 4.33Å; F95-S128 CarbonylContact O-C 3.59Å; F95-S128 WeakPolarHBondContact O-CA 3.5Å; F95-Q129 HydrophobicContact CD2-CB 4.04Å; F95-Q129 HydrophobicContact CD2-CG 4.31Å; F95-Q129 HydrophobicContact CE2-CB 4.19Å; F95-Q129 HydrophobicContact CE2-CG 4.41Å; F95-Q129 HydrophobicContact CG-CB 4.28Å; F95-Q129 PolarHBondContact O-N 3.34Å; F95-I130 HydrophobicContact CB-CD1 4.29Å; F95-I130 HydrophobicContact CB-CG1 4.46Å; F95-I130 HydrophobicContact CD1-CD1 4.09Å; F95-L133 HydrophobicContact CD1-CD1 4.17Å; F95-L133 HydrophobicContact CE1-CD1 3.65Å; F95-L133 HydrophobicContact CZ-CD1 4.43Å; F95-W168 CarbonylContact C-O 3.58Å; F95-W168 WeakPolarHBondContact CA-O 3.32Å; F95-W168 HydrophobicContact CB-CB 4.4Å; F95-W168 HydrophobicContact CD1-CE3 4.32Å; F95-W168 HydrophobicContact CD2-CB 3.81Å; F95-W168 HydrophobicContact CD2-CE3 4.34Å; F95-W168 AromaticContact CE1-CE3 3.86Å; F95-W168 HydrophobicContact CE1-CE3 3.86Å; F95-W168 HydrophobicContact CE1-CZ3 4.25Å; F95-W168 HydrophobicContact CE2-CB 4.32Å; F95-W168 AromaticContact CE2-CE3 3.92Å; F95-W168 HydrophobicContact CE2-CE3 3.92Å; F95-W168 HydrophobicContact CG-CB 4.15Å; F95-W168 AromaticContact CZ-CE3 3.66Å; F95-W168 HydrophobicContact CZ-CE3 3.66Å; F95-W168 HydrophobicContact CZ-CZ3 4.11Å
96S98.2Very high98.3Very high44 Ų4426.2 Ų26.231%0.30814%0.141SC..  trans-129.1-3.8177.365.40000114.3M98 W168 T169S96-M98 PolarHBondContact O-N 3.08Å; S96-W168 PolarHBondContact N-O 3.23Å; S96-T169 WeakPolarHBondContact OG-CA 3.27Å; S96-T169 VanDerWaalsContact OG-CB 3.25Å; S96-T169 WeakPolarHBondContact OG-CB 3.46Å; S96-T169 WeakPolarHBondContact OG-CG2 3.27Å
97N98.4Very high98.3Very high2 Ų223.2 Ų23.21%0.01112%0.12CC..  trans-74.7122.5-179.5-175.4-66.9000111.7F95 D99 L100 S101 W168F95-N97 WeakPolarHBondContact CE2-O 3.49Å; N97-D99 PolarHBondContact OD1-N 2.85Å; N97-L100 HydrophobicContact CB-CB 4.2Å; N97-L100 HydrophobicContact CB-CD1 3.91Å; N97-L100 HydrophobicContact CB-CG 4.28Å; N97-L100 PolarHBondContact OD1-N 2.89Å; N97-S101 WeakPolarHBondContact O-CB 3.29Å; N97-S101 PolarHBondContact O-N 3.02Å; N97-S101 VanDerWaalsContact O-N 3.1Å; N97-W168 VanDerWaalsContact CB-O 3.3Å; N97-W168 WeakPolarHBondContact CB-O 3.25Å; N97-W168 PolarHBondContact N-O 2.76Å
98M98.1Very high98.3Very high121 Ų12124.9 Ų24.960%0.59613%0.125SC*.Hα-helixtrans-68.9-36.6-175.6-63.9-60.5-64.400113.5S96 S101 R102 Q129S96-M98 PolarHBondContact O-N 3.08Å; M98-S101 WeakPolarHBondContact O-CB 3.28Å; M98-S101 PolarHBondContact O-N 2.85Å; M98-R102 WeakPolarHBondContact O-CB 3.48Å; M98-R102 PolarHBondContact O-N 3.11Å; M98-Q129 HydrophobicContact SD-CG 4.44Å; M98-Q129 PolarHBondContact SD-NE2 3.36Å; M98-Q129 PolarHBondContact SD-OE1 3.43Å; M98-Q129 VanDerWaalsContact SD-OE1 3.36Å
99D98.1Very high98.2Very high44 Ų4429.4 Ų29.424%0.23516%0.156CC..Hα-helixtrans-72.3-37.7-178.8-65.3-42.1000111.6V50 F74 L78 N97 R102 A103V50-D99 HydrophobicContact CG2-CB 4.49Å; F74-D99 HydrophobicContact CE1-CB 3.95Å; F74-D99 HydrophobicContact CZ-CB 3.84Å; L78-D99 HydrophobicContact CD1-CB 4.41Å; N97-D99 PolarHBondContact OD1-N 2.85Å; D99-R102 PolarHBondContact O-N 3.45Å; D99-A103 PolarHBondContact O-N 3.44Å
100L98.6Very high98.1Very high0 Ų034.1 Ų34.10%018%0.176CC..Hα-helixtrans-65-40.8171.9-71.5171.4000111F74 L77 L78 I81 F95 N97 A103 V104 W168F74-L100 HydrophobicContact CE2-CD1 4.05Å; F74-L100 HydrophobicContact CE2-CD2 4.15Å; F74-L100 HydrophobicContact CE2-CG 3.84Å; F74-L100 HydrophobicContact CZ-CG 4.15Å; L77-L100 HydrophobicContact CD2-CD2 4.22Å; L77-L100 HydrophobicContact CG-CD2 4.35Å; L78-L100 HydrophobicContact CD2-CD2 3.86Å; L78-L100 HydrophobicContact CG-CD2 4.49Å; I81-L100 HydrophobicContact CD1-CD2 3.43Å; I81-L100 VanDerWaalsContact CD1-CD2 3.43Å; F95-L100 HydrophobicContact CE2-CB 3.69Å; F95-L100 HydrophobicContact CZ-CB 4.03Å; N97-L100 HydrophobicContact CB-CB 4.2Å; N97-L100 HydrophobicContact CB-CD1 3.91Å; N97-L100 HydrophobicContact CB-CG 4.28Å; N97-L100 PolarHBondContact OD1-N 2.89Å; L100-A103 WeakPolarHBondContact O-CB 3.48Å; L100-A103 PolarHBondContact O-N 2.84Å; L100-V104 WeakPolarHBondContact O-CG2 3.37Å; L100-V104 PolarHBondContact O-N 2.79Å; L100-V104 VanDerWaalsContact O-N 3.09Å; L100-W168 HydrophobicContact CB-CE3 3.9Å; L100-W168 HydrophobicContact CB-CZ3 4.28Å; L100-W168 HydrophobicContact CD1-CB 3.76Å; L100-W168 HydrophobicContact CD1-CD2 3.75Å; L100-W168 HydrophobicContact CD1-CE3 3.91Å; L100-W168 HydrophobicContact CD1-CG 3.72Å; L100-W168 HydrophobicContact CD2-CE3 4.27Å; L100-W168 HydrophobicContact CD2-CZ3 4.28Å; L100-W168 HydrophobicContact CG-CE3 4.25Å
101S98.6Very high98.1Very high2 Ų237 Ų371%0.01421%0.206CC..Hα-helixtrans-61.5-46173.7179.70000111.4N97 M98 A103 V104 L105 Q129N97-S101 WeakPolarHBondContact O-CB 3.29Å; N97-S101 PolarHBondContact O-N 3.02Å; N97-S101 VanDerWaalsContact O-N 3.1Å; M98-S101 WeakPolarHBondContact O-CB 3.28Å; M98-S101 PolarHBondContact O-N 2.85Å; S101-A103 VanDerWaalsContact C-N 3.29Å; S101-A103 PolarHBondContact O-N 2.96Å; S101-V104 PolarHBondContact O-N 3.06Å; S101-L105 WeakPolarHBondContact O-CG 3.35Å; S101-L105 PolarHBondContact O-N 2.67Å; S101-Q129 PolarHBondContact OG-OE1 3.36Å
102R98.3Very high98.1Very high110 Ų11037.5 Ų37.542%0.41521%0.209SC..Hα-helixtrans-58-40.6174.7-177.4-175-87.1-169.8-3.9111.7E51 F54 M98 D99 L105 L106E51-R102 IonicContact OE1-NH1 2.59Å; E51-R102 PolarHBondContact OE1-NH1 2.92Å; E51-R102 IonicContact OE2-NH1 3.78Å; E51-R102 PolarHBondContact OE2-NH1 3.34Å; F54-R102 HydrophobicContact CD1-CG 3.92Å; F54-R102 HydrophobicContact CE1-CB 4.16Å; F54-R102 HydrophobicContact CE1-CG 3.78Å; F54-R102 HydrophobicContact CG-CG 4.5Å; F54-R102 HydrophobicContact CZ-CB 4.36Å; F54-R102 HydrophobicContact CZ-CG 4.25Å; M98-R102 WeakPolarHBondContact O-CB 3.48Å; M98-R102 PolarHBondContact O-N 3.11Å; D99-R102 PolarHBondContact O-N 3.45Å; R102-L105 PolarHBondContact O-N 2.96Å; R102-L106 VanDerWaalsContact O-CB 3.32Å; R102-L106 WeakPolarHBondContact O-CB 3.45Å; R102-L106 PolarHBondContact O-N 3Å
103A98.6Very high98.2Very high0 Ų041.8 Ų41.80%024%0.235CC..Hα-helixtrans-62.9-45.6176.300000112.2F54 L78 I81 L82 D99 L100 S101 L106 L107F54-A103 HydrophobicContact CE1-CB 3.94Å; F54-A103 HydrophobicContact CZ-CB 4.38Å; L78-A103 HydrophobicContact CD2-CB 3.9Å; I81-A103 HydrophobicContact CG2-CB 4.22Å; L82-A103 HydrophobicContact CD2-CB 3.83Å; L82-A103 HydrophobicContact CG-CB 4.11Å; D99-A103 PolarHBondContact O-N 3.44Å; L100-A103 WeakPolarHBondContact O-CB 3.48Å; L100-A103 PolarHBondContact O-N 2.84Å; S101-A103 VanDerWaalsContact C-N 3.29Å; S101-A103 PolarHBondContact O-N 2.96Å; A103-L106 PolarHBondContact O-N 2.81Å; A103-L107 VanDerWaalsContact O-CG 3.32Å; A103-L107 WeakPolarHBondContact O-CG 3.32Å; A103-L107 PolarHBondContact O-N 2.82Å
104V98.7Very high98.3Very high0 Ų041.6 Ų41.60%024%0.235CC..Hα-helixtrans-61.5-46.1176.2175.60000111L88 L90 F95 L100 S101 L106 L107 H108 I114 L133 W168L88-V104 HydrophobicContact CD2-CG2 4.19Å; L90-V104 HydrophobicContact CD2-CG2 4.41Å; F95-V104 HydrophobicContact CE1-CG2 4.42Å; F95-V104 HydrophobicContact CZ-CG2 4.33Å; L100-V104 WeakPolarHBondContact O-CG2 3.37Å; L100-V104 PolarHBondContact O-N 2.79Å; L100-V104 VanDerWaalsContact O-N 3.09Å; S101-V104 PolarHBondContact O-N 3.06Å; V104-L106 VanDerWaalsContact C-N 3.35Å; V104-L106 PolarHBondContact O-N 2.84Å; V104-L107 PolarHBondContact O-N 2.96Å; V104-H108 PolarHBondContact O-N 3.04Å; V104-I114 HydrophobicContact CG1-CD1 3.81Å; V104-I114 HydrophobicContact CG1-CG2 4Å; V104-I114 WeakPolarHBondContact O-CD1 3.47Å; V104-L133 HydrophobicContact CB-CD2 4.06Å; V104-L133 HydrophobicContact CG1-CD1 4.07Å; V104-L133 HydrophobicContact CG1-CD2 3.76Å; V104-W168 HydrophobicContact CG2-CZ3 4.35Å
105L98.5Very high98.3Very high52 Ų5243 Ų4327%0.27224%0.237SC..Hα-helixtrans-63.3-39178.3-69.4172.4000112.6S101 R102 H108 S109 V132 L133 A136S101-L105 WeakPolarHBondContact O-CG 3.35Å; S101-L105 PolarHBondContact O-N 2.67Å; R102-L105 PolarHBondContact O-N 2.96Å; L105-H108 PolarHBondContact O-N 2.96Å; L105-S109 PolarHBondContact O-N 3.43Å; L105-S109 PolarHBondContact O-OG 3.11Å; L105-V132 HydrophobicContact CD1-CG1 4.22Å; L105-L133 HydrophobicContact CD1-CD2 4.49Å; L105-L133 HydrophobicContact CD2-CD2 3.69Å; L105-L133 HydrophobicContact CG-CD2 3.72Å; L105-A136 HydrophobicContact CD2-CB 3.37Å
106L98.1Very high98.3Very high38 Ų3843 Ų4320%0.19924%0.237CC..Hα-helixtrans-64.8-39.1175.6177.460.9000111.9F54 L82 R102 A103 V104 S109 K110F54-L106 HydrophobicContact CD1-CD2 3.86Å; L82-L106 HydrophobicContact CD2-CD2 3.95Å; R102-L106 VanDerWaalsContact O-CB 3.32Å; R102-L106 WeakPolarHBondContact O-CB 3.45Å; R102-L106 PolarHBondContact O-N 3Å; A103-L106 PolarHBondContact O-N 2.81Å; V104-L106 VanDerWaalsContact C-N 3.35Å; V104-L106 PolarHBondContact O-N 2.84Å; L106-S109 PolarHBondContact O-OG 3.37Å; L106-K110 VanDerWaalsContact O-CG 3.29Å; L106-K110 WeakPolarHBondContact O-CG 3.46Å; L106-K110 PolarHBondContact O-N 3.37Å
107L98.5Very high98.3Very high1 Ų141 Ų411%0.00522%0.222CC..Hα-helixtrans-68.2-40.1175.2-68.9169.2000111.1I81 L82 A84 L88 A103 V104 S109 K110 G111 V112 I114I81-L107 HydrophobicContact CG2-CD1 3.94Å; I81-L107 VanDerWaalsContact O-CD1 3.32Å; I81-L107 WeakPolarHBondContact O-CD1 3.44Å; L82-L107 HydrophobicContact CD2-CG 4.46Å; A84-L107 HydrophobicContact CB-CD1 3.98Å; A84-L107 HydrophobicContact CB-CD2 4.07Å; A84-L107 WeakPolarHBondContact O-CD2 3.5Å; L88-L107 HydrophobicContact CD2-CD1 3.95Å; A103-L107 VanDerWaalsContact O-CG 3.32Å; A103-L107 WeakPolarHBondContact O-CG 3.32Å; A103-L107 PolarHBondContact O-N 2.82Å; V104-L107 PolarHBondContact O-N 2.96Å; L107-S109 PolarHBondContact O-N 3.44Å; L107-K110 WeakPolarHBondContact O-CB 3.48Å; L107-K110 PolarHBondContact O-N 3.04Å; L107-K110 VanDerWaalsContact O-N 3.16Å; L107-G111 PolarHBondContact O-N 3.13Å; L107-V112 HydrophobicContact CB-CB 4.11Å; L107-V112 HydrophobicContact CB-CG2 4.21Å; L107-V112 HydrophobicContact CD2-CG2 4.16Å; L107-V112 WeakPolarHBondContact O-CB 3.22Å; L107-V112 WeakPolarHBondContact O-CG2 3.44Å; L107-V112 PolarHBondContact O-N 3.05Å; L107-V112 VanDerWaalsContact O-N 3.08Å; L107-I114 HydrophobicContact CB-CD1 3.79Å
108H98.4Very high98.2Very high62 Ų6240.9 Ų40.929%0.28722%0.222SC..Hα-helixtrans-61.6-44.2176.7-173.752.1000111.7V104 L105 K110 G111 I114 A136 V138V104-H108 PolarHBondContact O-N 3.04Å; L105-H108 PolarHBondContact O-N 2.96Å; H108-K110 PolarHBondContact O-N 3.46Å; H108-G111 PolarHBondContact O-N 2.66Å; H108-I114 HydrophobicContact CB-CD1 3.94Å; H108-A136 PolarHBondContact NE2-O 2.83Å; H108-V138 HydrophobicContact CB-CG2 4.06Å
109S97.4Very high98.1Very high94 Ų9435.4 Ų35.466%0.65720%0.195SC*.Hα-helixtrans-67-23177.570.30000113.5L105 L106 L107 G111L105-S109 PolarHBondContact O-N 3.43Å; L105-S109 PolarHBondContact O-OG 3.11Å; L106-S109 PolarHBondContact O-OG 3.37Å; L107-S109 PolarHBondContact O-N 3.44Å; S109-G111 VanDerWaalsContact C-N 3.26Å
110K97.1Very high97.9Very high112 Ų11239 Ų3949%0.48721%0.209SC..THydrogen-bonded Turntrans-80.5-0.6170.7-70.3174-179.7-178.70113.7L106 L107 H108L106-K110 VanDerWaalsContact O-CG 3.29Å; L106-K110 WeakPolarHBondContact O-CG 3.46Å; L106-K110 PolarHBondContact O-N 3.37Å; L107-K110 WeakPolarHBondContact O-CB 3.48Å; L107-K110 PolarHBondContact O-N 3.04Å; L107-K110 VanDerWaalsContact O-N 3.16Å; H108-K110 PolarHBondContact O-N 3.46Å
111G98.2Very high97.6Very high62 Ų6243.4 Ų43.464%0.63923%0.232SC*.THydrogen-bonded Turntrans82.912.5179.600000114.8L107 H108 S109 T113L107-G111 PolarHBondContact O-N 3.13Å; H108-G111 PolarHBondContact O-N 2.66Å; S109-G111 VanDerWaalsContact C-N 3.26Å; G111-T113 PolarHBondContact O-N 3.28Å
112V98.6Very high97.3Very high9 Ų947.4 Ų47.46%0.05525%0.248CC..  trans-65.2134.6171.4178.60000108.7A84 L88 L107 I114A84-V112 HydrophobicContact CB-CG1 4.17Å; L88-V112 HydrophobicContact CB-CG1 4.46Å; L107-V112 HydrophobicContact CB-CB 4.11Å; L107-V112 HydrophobicContact CB-CG2 4.21Å; L107-V112 HydrophobicContact CD2-CG2 4.16Å; L107-V112 WeakPolarHBondContact O-CB 3.22Å; L107-V112 WeakPolarHBondContact O-CG2 3.44Å; L107-V112 PolarHBondContact O-N 3.05Å; L107-V112 VanDerWaalsContact O-N 3.08Å; V112-I114 HydrophobicContact CB-CG1 4.49Å; V112-I114 HydrophobicContact CG1-CG1 4.26Å; V112-I114 WeakPolarHBondContact O-CG1 3.35Å; V112-I114 PolarHBondContact O-N 3.46Å
113T98.6Very high97Very high91 Ų9143.1 Ų43.156%0.55824%0.235SC*.EExtended strand (participates in β ladder)trans-74.9115.1177.3-61.90000109.5S86 S87 L88 G111S86-T113 PolarHBondContact O-N 2.94Å; S87-T113 CarbonylContact C-O 3.44Å; S87-T113 WeakPolarHBondContact CA-O 3.2Å; L88-T113 PolarHBondContact N-O 3.48Å; G111-T113 PolarHBondContact O-N 3.28Å
114I98.8Very high96.7Very high8 Ų847.1 Ų47.14%0.04127%0.268CS..EExtended strand (participates in β ladder)trans-116.8128.6-176.6-50.4-170.5000110.6L88 V104 L107 H108 V112 V116 V138L88-I114 HydrophobicContact CB-CG1 4.21Å; L88-I114 HydrophobicContact CB-CG2 4.39Å; L88-I114 HydrophobicContact CD2-CD1 4.38Å; L88-I114 HydrophobicContact CD2-CG2 4.39Å; L88-I114 WeakPolarHBondContact O-CA 3.36Å; V104-I114 HydrophobicContact CG1-CD1 3.81Å; V104-I114 HydrophobicContact CG1-CG2 4Å; V104-I114 WeakPolarHBondContact O-CD1 3.47Å; L107-I114 HydrophobicContact CB-CD1 3.79Å; H108-I114 HydrophobicContact CB-CD1 3.94Å; V112-I114 HydrophobicContact CB-CG1 4.49Å; V112-I114 HydrophobicContact CG1-CG1 4.26Å; V112-I114 WeakPolarHBondContact O-CG1 3.35Å; V112-I114 PolarHBondContact O-N 3.46Å; I114-V116 HydrophobicContact CG2-CG2 3.97Å; I114-V138 HydrophobicContact CB-CG1 4.07Å; I114-V138 HydrophobicContact CG2-CG1 3.81Å
115R98.7Very high96.4Very high51 Ų5151.5 Ų51.519%0.19229%0.29CS..EExtended strand (participates in β ladder)trans-121.7128.6172.4-60-172.3-63.4167.2-0.6108.9L88 D89 L90 F196 N197 W200L88-R115 PolarHBondContact O-N 2.98Å; D89-R115 IonicContact OD1-CZ 3.37Å; D89-R115 IonicContact OD1-NE 3.32Å; D89-R115 PolarHBondContact OD1-NE 3.09Å; D89-R115 IonicContact OD1-NH2 3.12Å; D89-R115 PolarHBondContact OD1-NH2 3.07Å; D89-R115 VanDerWaalsContact OD1-NH2 3.13Å; D89-R115 IonicContact OD2-CZ 3.47Å; D89-R115 IonicContact OD2-NE 3.69Å; D89-R115 IonicContact OD2-NH2 2.77Å; D89-R115 PolarHBondContact OD2-NH2 3.45Å; L90-R115 PolarHBondContact N-O 3.49Å; R115-F196 HydrophobicContact CB-CE1 3.87Å; R115-F196 HydrophobicContact CB-CZ 3.64Å; R115-F196 VanDerWaalsContact CZ-CE1 3.43Å; R115-N197 PolarHBondContact NH1-OD1 2.91Å; R115-N197 PolarHBondContact NH2-OD1 2.55Å; R115-W200 HydrophobicContact CB-CD2 4.49Å; R115-W200 HydrophobicContact CB-CE3 4.1Å; R115-W200 HydrophobicContact CB-CH2 3.67Å; R115-W200 HydrophobicContact CB-CZ2 4.07Å; R115-W200 HydrophobicContact CB-CZ3 3.69Å; R115-W200 HydrophobicContact CG-CH2 4.01Å; R115-W200 HydrophobicContact CG-CZ2 3.93Å; R115-W200 HydrophobicContact CG-CZ3 4.45Å
116V98.6Very high96.2Very high0 Ų056 Ų560%032%0.32CS..EExtended strand (participates in β ladder)trans-120.9125.7-179-174.70000110.5L90 V92 I114 I130 L133 V138 C139 V140 R141 W200L90-V116 HydrophobicContact CB-CG1 4.44Å; L90-V116 HydrophobicContact CB-CG2 4.25Å; L90-V116 HydrophobicContact CD2-CG1 4.19Å; L90-V116 HydrophobicContact CD2-CG2 4.35Å; L90-V116 HydrophobicContact CG-CG1 4.43Å; L90-V116 CarbonylContact O-C 3.56Å; L90-V116 WeakPolarHBondContact O-CA 3.36Å; V92-V116 HydrophobicContact CG2-CG1 4.43Å; I114-V116 HydrophobicContact CG2-CG2 3.97Å; V116-I130 HydrophobicContact CG1-CD1 3.86Å; V116-L133 HydrophobicContact CG2-CD1 4.35Å; V116-V138 HydrophobicContact CG2-CG1 3.77Å; V116-C139 PolarHBondContact N-O 2.98Å; V116-V140 HydrophobicContact CB-CB 4.4Å; V116-V140 HydrophobicContact CB-CG1 4.11Å; V116-V140 HydrophobicContact CB-CG2 4.05Å; V116-V140 HydrophobicContact CG1-CG1 4.22Å; V116-V140 HydrophobicContact CG2-CG2 4.46Å; V116-V140 CarbonylContact O-C 3.54Å; V116-V140 VanDerWaalsContact O-CA 3.31Å; V116-V140 WeakPolarHBondContact O-CA 3.32Å; V116-R141 PolarHBondContact O-N 3.43Å; V116-W200 WeakPolarHBondContact O-CZ3 3.43Å
117L97.8Very high96Very high1 Ų156.5 Ų56.51%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-104.3132.1166.1-73.6168.7000109.4L90 C91 V92 R141 M149 F196 I199 W200L90-L117 PolarHBondContact O-N 2.99Å; C91-L117 HydrophobicContact CB-CB 4.44Å; V92-L117 PolarHBondContact N-O 3.33Å; L117-R141 WeakPolarHBondContact CA-O 3.27Å; L117-R141 HydrophobicContact CD2-CB 3.76Å; L117-M149 HydrophobicContact CB-CE 4.43Å; L117-M149 WeakPolarHBondContact O-CE 3.49Å; L117-F196 HydrophobicContact CB-CE2 4.32Å; L117-F196 HydrophobicContact CD1-CD2 3.8Å; L117-F196 HydrophobicContact CD1-CE1 4.38Å; L117-F196 HydrophobicContact CD1-CE2 3.68Å; L117-F196 HydrophobicContact CD1-CG 4.22Å; L117-F196 HydrophobicContact CD1-CZ 3.98Å; L117-F196 HydrophobicContact CG-CE2 3.98Å; L117-F196 HydrophobicContact CG-CZ 4.1Å; L117-I199 HydrophobicContact CD1-CB 3.79Å; L117-I199 HydrophobicContact CD1-CG2 3.71Å; L117-I199 HydrophobicContact CD2-CG2 3.97Å; L117-I199 HydrophobicContact CG-CG2 4.42Å; L117-W200 HydrophobicContact CD1-CB 4.45Å; L117-W200 HydrophobicContact CD1-CE3 4.34Å; L117-W200 HydrophobicContact CD2-CE3 3.83Å; L117-W200 HydrophobicContact CD2-CZ3 4.33Å; L117-W200 HydrophobicContact CG-CE3 3.8Å; L117-W200 HydrophobicContact CG-CZ3 4.3Å
118S96.7Very high95.9Very high1 Ų157.3 Ų57.31%0.00734%0.34CS..EExtended strand (participates in β ladder)trans-141.1161.1174.8-158.30000111.9V92 R141 C142 D143V92-S118 VanDerWaalsContact O-CA 3.29Å; V92-S118 WeakPolarHBondContact O-CA 3.43Å; V92-S118 WeakPolarHBondContact O-CB 3.26Å; V92-S118 PolarHBondContact O-OG 2.92Å; S118-R141 PolarHBondContact N-O 3.02Å; S118-R141 VanDerWaalsContact N-O 3.14Å; S118-C142 CarbonylContact O-C 3.58Å; S118-C142 VanDerWaalsContact O-CA 3.23Å; S118-C142 WeakPolarHBondContact O-CA 3.36Å; S118-D143 PolarHBondContact O-N 3.39Å
119D95.8Very high95.9Very high5 Ų554.9 Ų54.93%0.02733%0.329CS..  trans-70.7137.5172.8177.2-80.3000109.8F93 D121 Y122 S123 H148 M149F93-D119 HydrophobicContact CD2-CB 3.72Å; F93-D119 HydrophobicContact CE2-CB 4.04Å; D119-D121 PolarHBondContact O-N 2.89Å; D119-D121 PolarHBondContact OD1-N 3.35Å; D119-Y122 WeakPolarHBondContact OD1-CD2 3.47Å; D119-Y122 PolarHBondContact OD1-N 3.43Å; D119-S123 WeakPolarHBondContact O-CB 3.27Å; D119-S123 PolarHBondContact O-N 2.92Å; D119-S123 PolarHBondContact O-OG 3.21Å; D119-H148 IonicContact OD1-ND1 3.49Å; D119-H148 VanDerWaalsContact OD2-CA 3.29Å; D119-H148 WeakPolarHBondContact OD2-CA 3.38Å; D119-H148 IonicContact OD2-CG 2.99Å; D119-H148 IonicContact OD2-ND1 3.13Å; D119-H148 PolarHBondContact OD2-ND1 3.26Å; D119-M149 HydrophobicContact CB-CB 4.41Å; D119-M149 PolarHBondContact OD2-N 2.72Å
120K92.8Very high96Very high120 Ų12050.5 Ų50.552%0.52230%0.298SS..Hα-helixtrans-60.8-47.4-176169.8-172.5174.2-166.40112.3S123 A124 C142 D143K120-S123 PolarHBondContact O-N 3.45Å; K120-S123 PolarHBondContact O-OG 3.28Å; K120-A124 PolarHBondContact O-N 2.83Å; K120-C142 HydrophobicContact CB-CB 4.2Å; K120-D143 WeakPolarHBondContact CB-O 3.29Å
121D92.3Very high95.9Very high93 Ų9346.9 Ų46.950%0.49729%0.292SS..Hα-helixtrans-70.5-44.3-174.4-62.4-28.2000109.9D119 S123 A124 I125 H148D119-D121 PolarHBondContact O-N 2.89Å; D119-D121 PolarHBondContact OD1-N 3.35Å; D121-S123 VanDerWaalsContact C-N 3.32Å; D121-S123 PolarHBondContact O-N 3.25Å; D121-A124 PolarHBondContact O-N 3.42Å; D121-A124 VanDerWaalsContact O-N 3.14Å; D121-I125 PolarHBondContact O-N 2.99Å; D121-H148 IonicContact OD2-CE1 3.2Å
122Y93.1Very high95.9Very high85 Ų8546.9 Ų46.933%0.33328%0.28SS..Hα-helixtrans-70.5-26.8177.9-79.7-99.6000113.5F93 D119 A124 I125F93-Y122 HydrophobicContact CD2-CD2 4.35Å; F93-Y122 HydrophobicContact CE1-CD1 4.11Å; F93-Y122 HydrophobicContact CE1-CD2 4.15Å; F93-Y122 AromaticContact CE1-CE1 3.75Å; F93-Y122 HydrophobicContact CE1-CE1 3.75Å; F93-Y122 AromaticContact CE1-CE2 3.82Å; F93-Y122 HydrophobicContact CE1-CE2 3.82Å; F93-Y122 HydrophobicContact CE1-CG 4.28Å; F93-Y122 AromaticContact CE1-CZ 3.58Å; F93-Y122 AromaticContact CE2-CD2 3.53Å; F93-Y122 HydrophobicContact CE2-CD2 3.53Å; F93-Y122 AromaticContact CE2-CE2 3.63Å; F93-Y122 HydrophobicContact CE2-CE2 3.63Å; F93-Y122 HydrophobicContact CE2-CG 4.14Å; F93-Y122 HydrophobicContact CZ-CD1 4.24Å; F93-Y122 AromaticContact CZ-CD2 3.44Å; F93-Y122 HydrophobicContact CZ-CD2 3.44Å; F93-Y122 VanDerWaalsContact CZ-CD2 3.44Å; F93-Y122 AromaticContact CZ-CE1 3.92Å; F93-Y122 HydrophobicContact CZ-CE1 3.92Å; F93-Y122 AromaticContact CZ-CE2 3.08Å; F93-Y122 HydrophobicContact CZ-CE2 3.08Å; F93-Y122 HydrophobicContact CZ-CG 4.01Å; F93-Y122 AromaticContact CZ-CZ 3.32Å; F93-Y122 VanDerWaalsContact O-CB 3.26Å; F93-Y122 WeakPolarHBondContact O-CB 3.2Å; D119-Y122 WeakPolarHBondContact OD1-CD2 3.47Å; D119-Y122 PolarHBondContact OD1-N 3.43Å; Y122-A124 PolarHBondContact O-N 3.39Å; Y122-I125 HydrophobicContact CD1-CD1 3.58Å; Y122-I125 HydrophobicContact CE1-CD1 3.98Å; Y122-I125 HydrophobicContact CG-CD1 3.96Å; Y122-I125 PolarHBondContact O-N 3.14Å
123S92.6Very high95.9Very high21 Ų2146.4 Ų46.415%0.14728%0.277CS..Hα-helixtrans-67.3-24.3172.475.80000113.1D119 K120 D121 S128 C142D119-S123 WeakPolarHBondContact O-CB 3.27Å; D119-S123 PolarHBondContact O-N 2.92Å; D119-S123 PolarHBondContact O-OG 3.21Å; K120-S123 PolarHBondContact O-N 3.45Å; K120-S123 PolarHBondContact O-OG 3.28Å; D121-S123 VanDerWaalsContact C-N 3.32Å; D121-S123 PolarHBondContact O-N 3.25Å; S123-S128 PolarHBondContact O-OG 3.03Å; S123-C142 PolarHBondContact OG-SG 3.3Å
124A92Very high95.8Very high84 Ų8448 Ų4869%0.69427%0.273SS*.Hα-helixtrans-91.4-10-178.500000113.8K120 D121 Y122K120-A124 PolarHBondContact O-N 2.83Å; D121-A124 PolarHBondContact O-N 3.42Å; D121-A124 VanDerWaalsContact O-N 3.14Å; Y122-A124 PolarHBondContact O-N 3.39Å
125I93.2Very high95.7Very high91 Ų9156.8 Ų56.847%0.46731%0.311SS..SBendtrans-64.7138.2178.6-63.9174.4000110.6D121 Y122 G127 S128D121-I125 PolarHBondContact O-N 2.99Å; Y122-I125 HydrophobicContact CD1-CD1 3.58Å; Y122-I125 HydrophobicContact CE1-CD1 3.98Å; Y122-I125 HydrophobicContact CG-CD1 3.96Å; Y122-I125 PolarHBondContact O-N 3.14Å; I125-G127 PolarHBondContact O-N 2.94Å; I125-S128 WeakPolarHBondContact O-CB 3.35Å; I125-S128 PolarHBondContact O-N 2.75Å
126T93.3Very high95.7Very high147 Ų14756.7 Ų56.790%0.90232%0.32SS*.THydrogen-bonded Turntrans-54.5128.3174.2-56.20000111.4
127G94.1Very high95.7Very high48 Ų4859 Ų5950%0.49535%0.345SS..THydrogen-bonded Turntrans92.1-6.8-176.800000114.5I125 Q129I125-G127 PolarHBondContact O-N 2.94Å; G127-Q129 PolarHBondContact O-N 3.1Å; G127-Q129 PolarHBondContact O-NE2 3.13Å
128S97.1Very high95.7Very high18 Ų1859.2 Ų59.213%0.12635%0.346CS..  trans-58.5134.1170.1-177.30000111.4F95 S123 I125 I130F95-S128 CarbonylContact O-C 3.59Å; F95-S128 WeakPolarHBondContact O-CA 3.5Å; S123-S128 PolarHBondContact O-OG 3.03Å; I125-S128 WeakPolarHBondContact O-CB 3.35Å; I125-S128 PolarHBondContact O-N 2.75Å; S128-I130 VanDerWaalsContact C-N 3.29Å; S128-I130 PolarHBondContact OG-N 2.94Å
129Q98.3Very high95.7Very high12 Ų1262.8 Ų62.86%0.05637%0.37CS..SBendtrans-81.5-11.6177.9-63.6-57.6-64.600112.3F95 M98 S101 G127 G131 V132 L133F95-Q129 HydrophobicContact CD2-CB 4.04Å; F95-Q129 HydrophobicContact CD2-CG 4.31Å; F95-Q129 HydrophobicContact CE2-CB 4.19Å; F95-Q129 HydrophobicContact CE2-CG 4.41Å; F95-Q129 HydrophobicContact CG-CB 4.28Å; F95-Q129 PolarHBondContact O-N 3.34Å; M98-Q129 HydrophobicContact SD-CG 4.44Å; M98-Q129 PolarHBondContact SD-NE2 3.36Å; M98-Q129 PolarHBondContact SD-OE1 3.43Å; M98-Q129 VanDerWaalsContact SD-OE1 3.36Å; S101-Q129 PolarHBondContact OG-OE1 3.36Å; G127-Q129 PolarHBondContact O-N 3.1Å; G127-Q129 PolarHBondContact O-NE2 3.13Å; Q129-G131 VanDerWaalsContact C-N 3.29Å; Q129-G131 PolarHBondContact O-N 3.29Å; Q129-V132 WeakPolarHBondContact O-CB 3.34Å; Q129-V132 PolarHBondContact O-N 3.44Å; Q129-L133 WeakPolarHBondContact O-CG 3.46Å; Q129-L133 PolarHBondContact O-N 3.47Å
130I97.7Very high95.7Very high2 Ų263.6 Ų63.61%0.0138%0.375CS..Hα-helixtrans-56.7-43.3179.4-65.2-59000111.9F95 V116 S128 V132 L133 R134 V140F95-I130 HydrophobicContact CB-CD1 4.29Å; F95-I130 HydrophobicContact CB-CG1 4.46Å; F95-I130 HydrophobicContact CD1-CD1 4.09Å; V116-I130 HydrophobicContact CG1-CD1 3.86Å; S128-I130 VanDerWaalsContact C-N 3.29Å; S128-I130 PolarHBondContact OG-N 2.94Å; I130-V132 VanDerWaalsContact C-N 3.31Å; I130-V132 PolarHBondContact O-N 3.14Å; I130-L133 PolarHBondContact O-N 3.02Å; I130-R134 WeakPolarHBondContact O-CB 3.32Å; I130-R134 PolarHBondContact O-N 3.27Å; I130-V140 HydrophobicContact CG2-CG1 3.78Å
131G96.5Very high95.9Very high35 Ų3559.7 Ų59.736%0.36136%0.357SS..Hα-helixtrans-64.2-34.7176.700000113.1Q129 K135Q129-G131 VanDerWaalsContact C-N 3.29Å; Q129-G131 PolarHBondContact O-N 3.29Å; G131-K135 WeakPolarHBondContact O-CB 3.31Å; G131-K135 VanDerWaalsContact O-CG 3.25Å; G131-K135 WeakPolarHBondContact O-CG 3.43Å; G131-K135 PolarHBondContact O-N 2.82Å
132V97.6Very high95.8Very high62 Ų6256.7 Ų56.738%0.37634%0.343SS..Hα-helixtrans-67.5-47.6176.8-179.50000110.3L105 Q129 I130 R134 K135 A136L105-V132 HydrophobicContact CD1-CG1 4.22Å; Q129-V132 WeakPolarHBondContact O-CB 3.34Å; Q129-V132 PolarHBondContact O-N 3.44Å; I130-V132 VanDerWaalsContact C-N 3.31Å; I130-V132 PolarHBondContact O-N 3.14Å; V132-R134 PolarHBondContact O-N 3.29Å; V132-K135 PolarHBondContact O-N 2.84Å; V132-A136 PolarHBondContact O-N 2.75Å
133L98.3Very high95.3Very high0 Ų054.1 Ų54.10%034%0.335CS..Hα-helixtrans-59.9-45.3177.5-62.7-177.4000111.6F95 V104 L105 V116 Q129 I130 K135 A136 G137 V138 V140F95-L133 HydrophobicContact CD1-CD1 4.17Å; F95-L133 HydrophobicContact CE1-CD1 3.65Å; F95-L133 HydrophobicContact CZ-CD1 4.43Å; V104-L133 HydrophobicContact CB-CD2 4.06Å; V104-L133 HydrophobicContact CG1-CD1 4.07Å; V104-L133 HydrophobicContact CG1-CD2 3.76Å; L105-L133 HydrophobicContact CD1-CD2 4.49Å; L105-L133 HydrophobicContact CD2-CD2 3.69Å; L105-L133 HydrophobicContact CG-CD2 3.72Å; V116-L133 HydrophobicContact CG2-CD1 4.35Å; Q129-L133 WeakPolarHBondContact O-CG 3.46Å; Q129-L133 PolarHBondContact O-N 3.47Å; I130-L133 PolarHBondContact O-N 3.02Å; L133-K135 PolarHBondContact O-N 2.78Å; L133-A136 WeakPolarHBondContact O-CB 3.32Å; L133-A136 PolarHBondContact O-N 2.99Å; L133-A136 VanDerWaalsContact O-N 3.13Å; L133-G137 PolarHBondContact O-N 2.93Å; L133-V138 HydrophobicContact CB-CB 4.09Å; L133-V138 HydrophobicContact CB-CG1 4.49Å; L133-V138 HydrophobicContact CB-CG2 4.3Å; L133-V138 WeakPolarHBondContact O-CB 3.2Å; L133-V138 PolarHBondContact O-N 2.79Å; L133-V138 VanDerWaalsContact O-N 3.07Å; L133-V140 HydrophobicContact CB-CG2 4.35Å
134R96.7Very high94.3Very high124 Ų12455.7 Ų55.747%0.46835%0.349SS..Hα-helixtrans-61.6-43.3177.9-170.8175.8-61.7166.24.7112I130 V132 A136 G137 V140 C142I130-R134 WeakPolarHBondContact O-CB 3.32Å; I130-R134 PolarHBondContact O-N 3.27Å; V132-R134 PolarHBondContact O-N 3.29Å; R134-A136 PolarHBondContact O-N 3.26Å; R134-G137 PolarHBondContact O-N 2.89Å; R134-G137 VanDerWaalsContact O-N 3.11Å; R134-V140 HydrophobicContact CB-CG2 4.24Å; R134-C142 PolarHBondContact NH2-SG 2.99Å
135K97.6Very high93.5Very high193 Ų19354 Ų5484%0.83934%0.339SS*.Hα-helixtrans-62.9-30.7175.7-76.5175.3-179-176.70112.7G131 V132 L133 G137G131-K135 WeakPolarHBondContact O-CB 3.31Å; G131-K135 VanDerWaalsContact O-CG 3.25Å; G131-K135 WeakPolarHBondContact O-CG 3.43Å; G131-K135 PolarHBondContact O-N 2.82Å; V132-K135 PolarHBondContact O-N 2.84Å; L133-K135 PolarHBondContact O-N 2.78Å; K135-G137 PolarHBondContact O-N 2.83Å
136A98Very high92.7Very high48 Ų4855.6 Ų55.640%0.39736%0.359SS..THydrogen-bonded Turntrans-78.5-3176.400000114.1L105 H108 V132 L133 R134L105-A136 HydrophobicContact CD2-CB 3.37Å; H108-A136 PolarHBondContact NE2-O 2.83Å; V132-A136 PolarHBondContact O-N 2.75Å; L133-A136 WeakPolarHBondContact O-CB 3.32Å; L133-A136 PolarHBondContact O-N 2.99Å; L133-A136 VanDerWaalsContact O-N 3.13Å; R134-A136 PolarHBondContact O-N 3.26Å
137G97.8Very high92.4Very high50 Ų5053.9 Ų53.952%0.51535%0.348SS..THydrogen-bonded Turntrans94.24.9179.900000114.9L133 R134 K135 C139L133-G137 PolarHBondContact O-N 2.93Å; R134-G137 PolarHBondContact O-N 2.89Å; R134-G137 VanDerWaalsContact O-N 3.11Å; K135-G137 PolarHBondContact O-N 2.83Å; G137-C139 PolarHBondContact O-N 3.39Å
138V98.1Very high92.1Very high5 Ų556.4 Ų56.43%0.0335%0.347CS..  trans-68.4133.1173.9179.30000109.6H108 I114 V116 L133 V140H108-V138 HydrophobicContact CB-CG2 4.06Å; I114-V138 HydrophobicContact CB-CG1 4.07Å; I114-V138 HydrophobicContact CG2-CG1 3.81Å; V116-V138 HydrophobicContact CG2-CG1 3.77Å; L133-V138 HydrophobicContact CB-CB 4.09Å; L133-V138 HydrophobicContact CB-CG1 4.49Å; L133-V138 HydrophobicContact CB-CG2 4.3Å; L133-V138 WeakPolarHBondContact O-CB 3.2Å; L133-V138 PolarHBondContact O-N 2.79Å; L133-V138 VanDerWaalsContact O-N 3.07Å; V138-V140 HydrophobicContact CG1-CG2 4.35Å; V138-V140 PolarHBondContact O-N 3.29Å; V138-V140 VanDerWaalsContact O-N 3.09Å
139C97.1Very high91.9Very high76 Ų7656.1 Ų56.151%0.51434%0.344SS..EExtended strand (participates in β ladder)trans-67.9107.6175.8-69.20000110.1V116 G137 W200V116-C139 PolarHBondContact N-O 2.98Å; G137-C139 PolarHBondContact O-N 3.39Å; C139-W200 HydrophobicContact CB-CH2 3.94Å; C139-W200 HydrophobicContact CB-CZ2 4.22Å
140V96.8Very high91.8Very high21 Ų2160.7 Ų60.713%0.12737%0.365CS..EExtended strand (participates in β ladder)trans-118.1129.4176.4-170.30000110.8V116 I130 L133 R134 V138V116-V140 HydrophobicContact CB-CB 4.4Å; V116-V140 HydrophobicContact CB-CG1 4.11Å; V116-V140 HydrophobicContact CB-CG2 4.05Å; V116-V140 HydrophobicContact CG1-CG1 4.22Å; V116-V140 HydrophobicContact CG2-CG2 4.46Å; V116-V140 CarbonylContact O-C 3.54Å; V116-V140 VanDerWaalsContact O-CA 3.31Å; V116-V140 WeakPolarHBondContact O-CA 3.32Å; I130-V140 HydrophobicContact CG2-CG1 3.78Å; L133-V140 HydrophobicContact CB-CG2 4.35Å; R134-V140 HydrophobicContact CB-CG2 4.24Å; V138-V140 HydrophobicContact CG1-CG2 4.35Å; V138-V140 PolarHBondContact O-N 3.29Å; V138-V140 VanDerWaalsContact O-N 3.09Å
141R95.4Very high91.8Very high39 Ų3964.1 Ų64.115%0.14738%0.38CS..EExtended strand (participates in β ladder)trans-113.8138.7167.6-69.8176.4-176.5-163.5-4.8108.6V116 L117 S118 W200 N203 D204V116-R141 PolarHBondContact O-N 3.43Å; L117-R141 WeakPolarHBondContact CA-O 3.27Å; L117-R141 HydrophobicContact CD2-CB 3.76Å; S118-R141 PolarHBondContact N-O 3.02Å; S118-R141 VanDerWaalsContact N-O 3.14Å; R141-W200 HydrophobicContact CB-CE3 4.26Å; R141-W200 HydrophobicContact CB-CH2 4.44Å; R141-W200 HydrophobicContact CB-CZ3 3.97Å; R141-W200 WeakPolarHBondContact CD-O 3.18Å; R141-W200 HydrophobicContact CG-CE3 4.23Å; R141-W200 HydrophobicContact CG-CH2 3.9Å; R141-W200 HydrophobicContact CG-CZ2 4.23Å; R141-W200 HydrophobicContact CG-CZ3 3.89Å; R141-W200 PolarHBondContact NH1-O 3.3Å; R141-N203 HydrophobicContact CB-CB 4.22Å; R141-N203 VanDerWaalsContact CD-O 3.28Å; R141-N203 WeakPolarHBondContact CD-O 3.23Å; R141-D204 IonicContact CZ-OD2 3.03Å; R141-D204 VanDerWaalsContact NH1-CA 3.33Å; R141-D204 VanDerWaalsContact NH1-CB 3.29Å; R141-D204 IonicContact NH1-OD2 2.6Å; R141-D204 PolarHBondContact NH1-OD2 2.82Å; R141-D204 VanDerWaalsContact NH1-OD2 3.12Å; R141-D204 IonicContact NH2-OD1 3.64Å; R141-D204 PolarHBondContact NH2-OD1 3.41Å; R141-D204 IonicContact NH2-OD2 2.9Å; R141-D204 PolarHBondContact NH2-OD2 3.11Å
142C91.2Very high91.9Very high29 Ų2963.3 Ų63.320%0.19637%0.367CS..EExtended strand (participates in β ladder)trans-107.4142.8172.7-63.10000108.4S118 K120 S123 R134 A144 N203S118-C142 CarbonylContact O-C 3.58Å; S118-C142 VanDerWaalsContact O-CA 3.23Å; S118-C142 WeakPolarHBondContact O-CA 3.36Å; K120-C142 HydrophobicContact CB-CB 4.2Å; S123-C142 PolarHBondContact OG-SG 3.3Å; R134-C142 PolarHBondContact NH2-SG 2.99Å; C142-A144 PolarHBondContact O-N 3.19Å; C142-N203 PolarHBondContact O-OD1 3.39Å
143D82.3Confident92Very high32 Ų3260.5 Ų60.517%0.17135%0.35CS..  trans-62.7131.2176.3-170.163.5000111S118 K120 G145 M149 N203S118-D143 PolarHBondContact O-N 3.39Å; K120-D143 WeakPolarHBondContact CB-O 3.29Å; D143-G145 WeakPolarHBondContact OD2-CA 3.49Å; D143-G145 PolarHBondContact OD2-N 3.35Å; D143-M149 HydrophobicContact CB-CB 3.8Å; D143-M149 HydrophobicContact CB-CG 4.42Å; D143-N203 WeakPolarHBondContact CA-OD1 3.27Å; D143-N203 PolarHBondContact OD1-ND2 2.83Å; D143-N203 PolarHBondContact OD1-OD1 3.13Å
144A71.8Confident92Very high54 Ų5460.5 Ų60.545%0.44635%0.35SS..  trans-93.6-2.3-17800000113.4C142 N203 F208C142-A144 PolarHBondContact O-N 3.19Å; A144-N203 PolarHBondContact N-OD1 3.19Å; A144-F208 HydrophobicContact CB-CE1 4.09Å; A144-F208 HydrophobicContact CB-CZ 3.61Å
145G75.6Confident92.1Very high47 Ų4754.6 Ų54.649%0.48533%0.327SS..SBendtrans-73.7168.3-178.100000113.6D143D143-G145 WeakPolarHBondContact OD2-CA 3.49Å; D143-G145 PolarHBondContact OD2-N 3.35Å
146S76.6Confident92.2Very high125 Ų12545.5 Ų45.587%0.87429%0.288SS*.SBendtrans-82.8-3.8168.961.70000112.8
147V86.3Confident92.2Very high112 Ų11244.2 Ų44.268%0.67928%0.275SS*.SBendtrans-106136.2-179.2-179.50000108.1M149V147-M149 PolarHBondContact O-N 3.29Å
148H87.2Confident92.2Very high101 Ų10143.2 Ų43.247%0.46827%0.265SS..  trans-67.5132.1-177.5-67.8-52.2000113F93 D119 D121 H150F93-H148 HydrophobicContact CE2-CB 4.03Å; D119-H148 IonicContact OD1-ND1 3.49Å; D119-H148 VanDerWaalsContact OD2-CA 3.29Å; D119-H148 WeakPolarHBondContact OD2-CA 3.38Å; D119-H148 IonicContact OD2-CG 2.99Å; D119-H148 IonicContact OD2-ND1 3.13Å; D119-H148 PolarHBondContact OD2-ND1 3.26Å; D121-H148 IonicContact OD2-CE1 3.2Å; H148-H150 VanDerWaalsContact C-N 3.33Å; H148-H150 PolarHBondContact O-N 3.02Å
149M93.4Very high92.2Very high12 Ų1249.9 Ų49.96%0.05929%0.289CS..  trans-77.285.1168.3-167.3-69-68.800108.8C91 F93 L117 D119 D143 V147 H151C91-M149 PolarHBondContact SG-SD 3.37Å; F93-M149 VanDerWaalsContact CD2-O 3.27Å; F93-M149 WeakPolarHBondContact CD2-O 3.33Å; L117-M149 HydrophobicContact CB-CE 4.43Å; L117-M149 WeakPolarHBondContact O-CE 3.49Å; D119-M149 HydrophobicContact CB-CB 4.41Å; D119-M149 PolarHBondContact OD2-N 2.72Å; D143-M149 HydrophobicContact CB-CB 3.8Å; D143-M149 HydrophobicContact CB-CG 4.42Å; V147-M149 PolarHBondContact O-N 3.29Å; M149-H151 VanDerWaalsContact C-N 3.34Å; M149-H151 PolarHBondContact O-N 3.38Å; M149-H151 HydrophobicContact SD-CB 3.75Å
150H96.3Very high92.2Very high108 Ų10846.7 Ų46.750%0.527%0.267SS..  trans-9011.2-170.1-159.3-106.9000114.5F93 H148 K152F93-H150 AromaticContact CD1-CD2 3.51Å; F93-H150 AromaticContact CD1-NE2 3.69Å; F93-H150 HydrophobicContact CD2-CB 4.47Å; F93-H150 AromaticContact CD2-CD2 3.7Å; F93-H150 AromaticContact CE1-CD2 3.53Å; F93-H150 AromaticContact CE1-NE2 3.69Å; F93-H150 AromaticContact CE2-CD2 3.74Å; F93-H150 AromaticContact CG-CD2 3.56Å; F93-H150 AromaticContact CZ-CD2 3.61Å; H148-H150 VanDerWaalsContact C-N 3.33Å; H148-H150 PolarHBondContact O-N 3.02Å; H150-K152 PolarHBondContact CD2-NZ 3.09Å; H150-K152 VanDerWaalsContact CD2-NZ 3.29Å; H150-K152 PolarHBondContact CE1-NZ 2.94Å; H150-K152 PolarHBondContact ND1-NZ 3.1Å; H150-K152 PolarHBondContact NE2-NZ 3.5Å; H150-K152 WeakPolarHBondContact O-CD 3.45Å; H150-K152 PolarHBondContact O-NZ 3.36Å
151H97.9Very high92.3Very high73 Ų7345.7 Ų45.734%0.33826%0.261SS..  trans-67.2149.4178-71-51.9000112.5C91 V92 F93 M149 F153C91-H151 HydrophobicContact CB-CB 4.36Å; C91-H151 CarbonylContact O-C 3.5Å; V92-H151 CarbonylContact C-O 3.57Å; V92-H151 WeakPolarHBondContact CA-O 3.06Å; F93-H151 PolarHBondContact N-O 3.28Å; M149-H151 VanDerWaalsContact C-N 3.34Å; M149-H151 PolarHBondContact O-N 3.38Å; M149-H151 HydrophobicContact SD-CB 3.75Å; H151-F153 HydrophobicContact CB-CD1 3.78Å; H151-F153 HydrophobicContact CB-CE1 3.83Å; H151-F153 AromaticContact CG-CE1 3.89Å
152K98.4Very high92.5Very high19 Ų1944 Ų448%0.08326%0.255CS..EExtended strand (participates in β ladder)trans-136.681.3168.9-49.399.4171.272.90109C91 F93 H150 G164 S165 L166 N167C91-K152 CarbonylContact O-C 3.52Å; C91-K152 VanDerWaalsContact O-CA 3.29Å; C91-K152 WeakPolarHBondContact O-CA 3.06Å; F93-K152 VanDerWaalsContact CB-NZ 3.3Å; H150-K152 PolarHBondContact CD2-NZ 3.09Å; H150-K152 VanDerWaalsContact CD2-NZ 3.29Å; H150-K152 PolarHBondContact CE1-NZ 2.94Å; H150-K152 PolarHBondContact ND1-NZ 3.1Å; H150-K152 PolarHBondContact NE2-NZ 3.5Å; H150-K152 WeakPolarHBondContact O-CD 3.45Å; H150-K152 PolarHBondContact O-NZ 3.36Å; K152-G164 PolarHBondContact O-N 2.93Å; K152-S165 WeakPolarHBondContact CD-O 3.29Å; K152-S165 VanDerWaalsContact CE-O 3.3Å; K152-S165 WeakPolarHBondContact CE-O 3.27Å; K152-L166 WeakPolarHBondContact CB-O 3.43Å; K152-L166 WeakPolarHBondContact CG-O 3.35Å; K152-N167 WeakPolarHBondContact CE-OD1 3.5Å; K152-N167 PolarHBondContact NZ-OD1 3.08Å; K152-N167 VanDerWaalsContact NZ-OD1 3.13Å
153F98.8Very high92.9Very high2 Ų244 Ų441%0.00925%0.254CS..EExtended strand (participates in β ladder)trans-141.5159.4175.672.9-98000112.7C91 H151 V155 L161 I162 F192 F196C91-F153 HydrophobicContact CB-CD1 3.75Å; C91-F153 HydrophobicContact CB-CD2 4.13Å; C91-F153 HydrophobicContact CB-CE1 3.4Å; C91-F153 VanDerWaalsContact CB-CE1 3.4Å; C91-F153 HydrophobicContact CB-CE2 3.8Å; C91-F153 HydrophobicContact CB-CG 4.1Å; C91-F153 HydrophobicContact CB-CZ 3.43Å; C91-F153 VanDerWaalsContact CB-CZ 3.43Å; C91-F153 PolarHBondContact N-O 2.85Å; C91-F153 PolarHBondContact O-N 3.42Å; C91-F153 VanDerWaalsContact O-O 3.13Å; H151-F153 HydrophobicContact CB-CD1 3.78Å; H151-F153 HydrophobicContact CB-CE1 3.83Å; H151-F153 AromaticContact CG-CE1 3.89Å; F153-V155 HydrophobicContact CD2-CG2 4.15Å; F153-V155 HydrophobicContact CE2-CG2 4.19Å; F153-L161 HydrophobicContact CB-CD1 4.19Å; F153-L161 HydrophobicContact CD2-CD1 4.31Å; F153-I162 CarbonylContact C-O 3.56Å; F153-I162 WeakPolarHBondContact CA-O 3.33Å; F153-I162 VanDerWaalsContact CB-O 3.27Å; F153-I162 WeakPolarHBondContact CB-O 3.44Å; F153-F192 HydrophobicContact CB-CD1 3.94Å; F153-F192 HydrophobicContact CB-CE1 3.93Å; F153-F192 AromaticContact CD1-CD1 3.48Å; F153-F192 HydrophobicContact CD1-CD1 3.48Å; F153-F192 VanDerWaalsContact CD1-CD1 3.48Å; F153-F192 AromaticContact CD1-CE1 3.68Å; F153-F192 HydrophobicContact CD1-CE1 3.68Å; F153-F192 HydrophobicContact CD2-CB 4.48Å; F153-F192 AromaticContact CD2-CD1 3.74Å; F153-F192 HydrophobicContact CD2-CD1 3.74Å; F153-F192 AromaticContact CE1-CD1 3.8Å; F153-F192 HydrophobicContact CE1-CD1 3.8Å; F153-F192 HydrophobicContact CE1-CE1 4.29Å; F153-F192 HydrophobicContact CE2-CB 4.33Å; F153-F192 HydrophobicContact CE2-CD1 4.05Å; F153-F192 AromaticContact CG-CD1 3.45Å; F153-F192 HydrophobicContact CG-CD1 3.45Å; F153-F192 VanDerWaalsContact CG-CD1 3.45Å; F153-F192 AromaticContact CG-CE1 3.83Å; F153-F192 HydrophobicContact CG-CE1 3.83Å; F153-F192 HydrophobicContact CZ-CD1 4.07Å; F153-F196 HydrophobicContact CE2-CB 4.16Å; F153-F196 HydrophobicContact CE2-CD2 4.05Å; F153-F196 HydrophobicContact CZ-CB 4.04Å; F153-F196 HydrophobicContact CZ-CD2 4.14Å
154A98.9Very high93.6Very high0 Ų043.6 Ų43.60%026%0.257CS..EExtended strand (participates in β ladder)trans-132.6142.3168.800000109.6L88 D89 L90 I162 W168L88-A154 HydrophobicContact CD1-CB 4.2Å; D89-A154 CarbonylContact O-C 3.56Å; D89-A154 VanDerWaalsContact O-CA 3.22Å; D89-A154 WeakPolarHBondContact O-CA 3.37Å; L90-A154 HydrophobicContact CD1-CB 3.79Å; A154-I162 HydrophobicContact CB-CB 4.36Å; A154-I162 PolarHBondContact N-O 3.01Å; A154-I162 PolarHBondContact O-N 3.41Å; A154-W168 HydrophobicContact CB-CH2 4.41Å; A154-W168 HydrophobicContact CB-CZ2 4.22Å
155V98.9Very high94.9Very high0 Ų042.9 Ų42.90%025%0.249CC..EExtended strand (participates in β ladder)trans-113.8118.8169.1-176.70000108.7D89 F153 L160 L161 V189 F192 I193D89-V155 HydrophobicContact CB-CB 4.33Å; D89-V155 PolarHBondContact N-O 2.83Å; D89-V155 PolarHBondContact O-N 3.49Å; F153-V155 HydrophobicContact CD2-CG2 4.15Å; F153-V155 HydrophobicContact CE2-CG2 4.19Å; V155-L160 CarbonylContact C-O 3.49Å; V155-L160 WeakPolarHBondContact CA-O 3.43Å; V155-L161 HydrophobicContact CG2-CD1 4.15Å; V155-V189 HydrophobicContact CG1-CG1 4.37Å; V155-F192 HydrophobicContact CG2-CB 4.4Å; V155-I193 HydrophobicContact CB-CG1 4.46Å; V155-I193 HydrophobicContact CG1-CD1 4.06Å; V155-I193 HydrophobicContact CG1-CG1 3.82Å; V155-I193 HydrophobicContact CG2-CG1 4.16Å
156V98.8Very high96Very high2 Ų240.7 Ų40.71%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-98.9125.4179.2-179.10000108.8A84 L88 G158 R159 L160 I162A84-V156 HydrophobicContact CB-CG1 3.65Å; L88-V156 HydrophobicContact CD1-CG2 3.86Å; V156-G158 PolarHBondContact O-N 3.03Å; V156-R159 PolarHBondContact O-N 3.35Å; V156-L160 HydrophobicContact CB-CB 4.18Å; V156-L160 HydrophobicContact CB-CD2 3.9Å; V156-L160 HydrophobicContact CG2-CD2 3.83Å; V156-L160 PolarHBondContact N-O 2.95Å; V156-L160 PolarHBondContact O-N 3.49Å; V156-I162 HydrophobicContact CG2-CD1 4.31Å
157D98.6Very high97Very high21 Ų2136.4 Ų36.411%0.11219%0.193CC..THydrogen-bonded Turntrans50.330.8176.9-64.2-26.8000114.3S85 S86 S87 R159S85-D157 PolarHBondContact N-OD1 2.9Å; S85-D157 PolarHBondContact N-OD2 3.31Å; S85-D157 PolarHBondContact OG-OD2 2.95Å; S86-D157 WeakPolarHBondContact CA-OD1 3.29Å; S86-D157 PolarHBondContact N-OD1 3.3Å; S86-D157 VanDerWaalsContact OG-CG 3.3Å; S86-D157 PolarHBondContact OG-OD1 3.24Å; S87-D157 PolarHBondContact N-OD1 3.16Å; S87-D157 PolarHBondContact O-N 3.43Å; S87-D157 WeakPolarHBondContact OG-CA 3.39Å; D157-R159 HydrophobicContact CB-CG 4.39Å; D157-R159 PolarHBondContact O-N 3.3Å; D157-R159 VanDerWaalsContact O-N 3.07Å
158G98.1Very high97.6Very high30 Ų3031.4 Ų31.431%0.30916%0.162SC..THydrogen-bonded Turntrans62.413.9-179.500000115.1V156 I193V156-G158 PolarHBondContact O-N 3.03Å; G158-I193 VanDerWaalsContact O-CD1 3.32Å; G158-I193 WeakPolarHBondContact O-CD1 3.31Å
159R97.5Very high98.1Very high145 Ų14527.5 Ų27.555%0.54715%0.146SC..THydrogen-bonded Turntrans-136.4-24.9-172.472.1176-173.4-145.8-8.5115.4V156 D157 E184 V189V156-R159 PolarHBondContact O-N 3.35Å; D157-R159 HydrophobicContact CB-CG 4.39Å; D157-R159 PolarHBondContact O-N 3.3Å; D157-R159 VanDerWaalsContact O-N 3.07Å; R159-E184 IonicContact NE-OE1 2.72Å; R159-V189 WeakPolarHBondContact O-CG2 3.29Å
160L98.5Very high98.3Very high8 Ų831 Ų314%0.04216%0.164CC..EExtended strand (participates in β ladder)trans-115.8119.7-176.7178.1144.5000109.2L37 H80 V155 V156 I162 I182 T183 E184L37-L160 HydrophobicContact CD2-CD1 3.63Å; H80-L160 HydrophobicContact CB-CD2 4.39Å; V155-L160 CarbonylContact C-O 3.49Å; V155-L160 WeakPolarHBondContact CA-O 3.43Å; V156-L160 HydrophobicContact CB-CB 4.18Å; V156-L160 HydrophobicContact CB-CD2 3.9Å; V156-L160 HydrophobicContact CG2-CD2 3.83Å; V156-L160 PolarHBondContact N-O 2.95Å; V156-L160 PolarHBondContact O-N 3.49Å; L160-I162 HydrophobicContact CD2-CD1 4.03Å; L160-I162 HydrophobicContact CD2-CG1 3.66Å; L160-I182 HydrophobicContact CD1-CG2 4.17Å; L160-I182 HydrophobicContact CD2-CG2 4.11Å; L160-I182 HydrophobicContact CG-CG2 4.21Å; L160-T183 WeakPolarHBondContact CA-O 3.38Å; L160-E184 HydrophobicContact CB-CG 4.06Å; L160-E184 HydrophobicContact CD1-CG 4.01Å; L160-E184 HydrophobicContact CG-CG 4.27Å
161L98.8Very high98.4Very high1 Ų130 Ų301%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-98.3131178.9173.965.6000109.6F153 V155 T163 I182 T183 L188 V189 F192F153-L161 HydrophobicContact CB-CD1 4.19Å; F153-L161 HydrophobicContact CD2-CD1 4.31Å; V155-L161 HydrophobicContact CG2-CD1 4.15Å; L161-T163 HydrophobicContact CD1-CG2 4.4Å; L161-T163 HydrophobicContact CD2-CG2 3.91Å; L161-T163 HydrophobicContact CG-CG2 3.97Å; L161-I182 CarbonylContact O-C 3.57Å; L161-I182 VanDerWaalsContact O-CA 3.29Å; L161-I182 WeakPolarHBondContact O-CA 3.36Å; L161-T183 HydrophobicContact CB-CG2 3.98Å; L161-T183 HydrophobicContact CD2-CG2 4.11Å; L161-T183 HydrophobicContact CG-CG2 4.38Å; L161-T183 PolarHBondContact N-O 2.59Å; L161-T183 PolarHBondContact O-N 2.8Å; L161-L188 HydrophobicContact CD2-CB 4.31Å; L161-V189 HydrophobicContact CB-CG2 3.77Å; L161-F192 HydrophobicContact CD1-CB 3.85Å; L161-F192 HydrophobicContact CD1-CD1 3.76Å; L161-F192 HydrophobicContact CD1-CD2 4.12Å; L161-F192 HydrophobicContact CD1-CE1 4.3Å; L161-F192 HydrophobicContact CD1-CG 3.63Å; L161-F192 HydrophobicContact CD2-CB 4.49Å; L161-F192 HydrophobicContact CD2-CD2 3.5Å; L161-F192 VanDerWaalsContact CD2-CD2 3.5Å; L161-F192 HydrophobicContact CD2-CE2 3.7Å; L161-F192 HydrophobicContact CD2-CG 3.93Å; L161-F192 HydrophobicContact CD2-CZ 4.3Å; L161-F192 HydrophobicContact CG-CD2 4.48Å; L161-F192 HydrophobicContact CG-CG 4.46Å
162I98.9Very high98.4Very high4 Ų426.5 Ų26.52%0.02115%0.15CC..EExtended strand (participates in β ladder)trans-116.2118.5166.9-52.5178.9000106.3L77 H80 I81 F153 A154 V156 L160 I180 I181 I182L77-I162 HydrophobicContact CD1-CD1 4.14Å; L77-I162 HydrophobicContact CD1-CG2 3.72Å; H80-I162 HydrophobicContact CB-CD1 3.86Å; I81-I162 HydrophobicContact CG1-CD1 3.95Å; F153-I162 CarbonylContact C-O 3.56Å; F153-I162 WeakPolarHBondContact CA-O 3.33Å; F153-I162 VanDerWaalsContact CB-O 3.27Å; F153-I162 WeakPolarHBondContact CB-O 3.44Å; A154-I162 HydrophobicContact CB-CB 4.36Å; A154-I162 PolarHBondContact N-O 3.01Å; A154-I162 PolarHBondContact O-N 3.41Å; V156-I162 HydrophobicContact CG2-CD1 4.31Å; L160-I162 HydrophobicContact CD2-CD1 4.03Å; L160-I162 HydrophobicContact CD2-CG1 3.66Å; I162-I180 HydrophobicContact CG2-CD1 4.2Å; I162-I181 CarbonylContact C-O 3.5Å; I162-I181 WeakPolarHBondContact CA-O 3.25Å; I162-I182 HydrophobicContact CG1-CG1 4.27Å; I162-I182 HydrophobicContact CG1-CG2 4.43Å; I162-I182 HydrophobicContact CG2-CG1 4.24Å
163T98.8Very high98.3Very high27 Ų2725.7 Ų25.717%0.16615%0.147CC..EExtended strand (participates in β ladder)trans-149.6151.1-176.9-1730000111.9L161 I180 I181 F192L161-T163 HydrophobicContact CD1-CG2 4.4Å; L161-T163 HydrophobicContact CD2-CG2 3.91Å; L161-T163 HydrophobicContact CG-CG2 3.97Å; T163-I180 CarbonylContact O-C 3.54Å; T163-I180 VanDerWaalsContact O-CA 3.32Å; T163-I180 WeakPolarHBondContact O-CA 3.36Å; T163-I181 HydrophobicContact CG2-CB 4.47Å; T163-I181 PolarHBondContact N-O 3.43Å; T163-I181 PolarHBondContact O-N 2.87Å; T163-F192 HydrophobicContact CG2-CZ 4.09Å; T163-F192 WeakPolarHBondContact OG1-CE1 3.11Å
164G98.4Very high98.3Very high24 Ų2429.3 Ų29.325%0.24716%0.163CC..EExtended strand (participates in β ladder)trans170.6-156.4176.800000114.1K152 N179K152-G164 PolarHBondContact O-N 2.93Å; G164-N179 WeakPolarHBondContact CA-O 3.32Å
165S98.6Very high98.2Very high39 Ų3933.3 Ų33.327%0.27319%0.191SC..SBendtrans-83.4-23.6178.667.90000112.8K152 N167 E178 N179K152-S165 WeakPolarHBondContact CD-O 3.29Å; K152-S165 VanDerWaalsContact CE-O 3.3Å; K152-S165 WeakPolarHBondContact CE-O 3.27Å; S165-N167 PolarHBondContact O-N 3.29Å; S165-N167 VanDerWaalsContact O-N 3.16Å; S165-E178 VanDerWaalsContact C-OE2 3.25Å; S165-E178 WeakPolarHBondContact CB-OE2 3.49Å; S165-E178 WeakPolarHBondContact OG-CA 3.39Å; S165-E178 PolarHBondContact OG-OE2 3.47Å; S165-N179 PolarHBondContact N-O 2.97Å; S165-N179 PolarHBondContact OG-N 3.18Å
166L98.6Very high98.1Very high2 Ų236.3 Ų36.31%0.0121%0.207CC..  trans-61.7110.4-169.7-177.673.1000113.2F43 L77 K152 A172 V173 E178 I180F43-L166 HydrophobicContact CD1-CD1 4.4Å; F43-L166 HydrophobicContact CD2-CD1 4.23Å; F43-L166 HydrophobicContact CD2-CD2 4.39Å; F43-L166 HydrophobicContact CE1-CD2 4.13Å; F43-L166 HydrophobicContact CE2-CD1 4.38Å; F43-L166 HydrophobicContact CE2-CD2 3.73Å; F43-L166 HydrophobicContact CE2-CG 4.48Å; F43-L166 HydrophobicContact CG-CD1 4.25Å; F43-L166 HydrophobicContact CZ-CD2 3.58Å; L77-L166 HydrophobicContact CD2-CD2 3.77Å; K152-L166 WeakPolarHBondContact CB-O 3.43Å; K152-L166 WeakPolarHBondContact CG-O 3.35Å; L166-A172 HydrophobicContact CD1-CB 3.76Å; L166-V173 HydrophobicContact CD1-CG2 4.12Å; L166-V173 HydrophobicContact CD2-CG2 4.4Å; L166-E178 HydrophobicContact CB-CB 4.15Å; L166-E178 HydrophobicContact CD1-CB 3.87Å; L166-E178 HydrophobicContact CD1-CG 3.84Å; L166-I180 HydrophobicContact CB-CG2 3.61Å; L166-I180 HydrophobicContact CD2-CG2 3.94Å; L166-I180 HydrophobicContact CG-CG2 4.43Å
167N98.4Very high98.1Very high34 Ų3444.7 Ų44.718%0.18225%0.248CC..  trans-66.8145.8159.4-68.7-49.6000110.2F93 K152 S165 T169 A172F93-N167 WeakPolarHBondContact CD1-OD1 3.46Å; K152-N167 WeakPolarHBondContact CE-OD1 3.5Å; K152-N167 PolarHBondContact NZ-OD1 3.08Å; K152-N167 VanDerWaalsContact NZ-OD1 3.13Å; S165-N167 PolarHBondContact O-N 3.29Å; S165-N167 VanDerWaalsContact O-N 3.16Å; N167-T169 HydrophobicContact CB-CG2 4.12Å; N167-T169 PolarHBondContact O-N 3.04Å; N167-A172 HydrophobicContact CB-CB 4.31Å; N167-A172 VanDerWaalsContact O-CB 3.31Å; N167-A172 WeakPolarHBondContact O-CB 3.12Å
168W98.3Very high98.1Very high7 Ų744.9 Ų44.93%0.02725%0.249CC..BIsolated β-bridgetrans-83.257.6-176.8-74.626.3000111.1I81 L90 V92 S94 F95 S96 N97 L100 V104 A154I81-W168 HydrophobicContact CD1-CH2 3.38Å; I81-W168 HydrophobicContact CD1-CZ2 3.78Å; I81-W168 HydrophobicContact CD1-CZ3 4.07Å; I81-W168 HydrophobicContact CG1-CH2 4.09Å; L90-W168 HydrophobicContact CD1-CD2 4.32Å; L90-W168 HydrophobicContact CD1-CE3 4.1Å; L90-W168 HydrophobicContact CD1-CH2 3.2Å; L90-W168 HydrophobicContact CD1-CZ2 3.44Å; L90-W168 VanDerWaalsContact CD1-CZ2 3.44Å; L90-W168 HydrophobicContact CD1-CZ3 3.56Å; L90-W168 HydrophobicContact CD2-CE3 4Å; L90-W168 HydrophobicContact CD2-CH2 4.09Å; L90-W168 HydrophobicContact CD2-CZ3 3.58Å; L90-W168 HydrophobicContact CG-CH2 4.29Å; L90-W168 HydrophobicContact CG-CZ3 4.24Å; V92-W168 HydrophobicContact CG1-CD2 3.81Å; V92-W168 HydrophobicContact CG1-CE3 4.33Å; V92-W168 HydrophobicContact CG1-CG 3.88Å; S94-W168 PolarHBondContact O-N 3.3Å; F95-W168 CarbonylContact C-O 3.58Å; F95-W168 WeakPolarHBondContact CA-O 3.32Å; F95-W168 HydrophobicContact CB-CB 4.4Å; F95-W168 HydrophobicContact CD1-CE3 4.32Å; F95-W168 HydrophobicContact CD2-CB 3.81Å; F95-W168 HydrophobicContact CD2-CE3 4.34Å; F95-W168 AromaticContact CE1-CE3 3.86Å; F95-W168 HydrophobicContact CE1-CE3 3.86Å; F95-W168 HydrophobicContact CE1-CZ3 4.25Å; F95-W168 HydrophobicContact CE2-CB 4.32Å; F95-W168 AromaticContact CE2-CE3 3.92Å; F95-W168 HydrophobicContact CE2-CE3 3.92Å; F95-W168 HydrophobicContact CG-CB 4.15Å; F95-W168 AromaticContact CZ-CE3 3.66Å; F95-W168 HydrophobicContact CZ-CE3 3.66Å; F95-W168 HydrophobicContact CZ-CZ3 4.11Å; S96-W168 PolarHBondContact N-O 3.23Å; N97-W168 VanDerWaalsContact CB-O 3.3Å; N97-W168 WeakPolarHBondContact CB-O 3.25Å; N97-W168 PolarHBondContact N-O 2.76Å; L100-W168 HydrophobicContact CB-CE3 3.9Å; L100-W168 HydrophobicContact CB-CZ3 4.28Å; L100-W168 HydrophobicContact CD1-CB 3.76Å; L100-W168 HydrophobicContact CD1-CD2 3.75Å; L100-W168 HydrophobicContact CD1-CE3 3.91Å; L100-W168 HydrophobicContact CD1-CG 3.72Å; L100-W168 HydrophobicContact CD2-CE3 4.27Å; L100-W168 HydrophobicContact CD2-CZ3 4.28Å; L100-W168 HydrophobicContact CG-CE3 4.25Å; V104-W168 HydrophobicContact CG2-CZ3 4.35Å; A154-W168 HydrophobicContact CB-CH2 4.41Å; A154-W168 HydrophobicContact CB-CZ2 4.22Å
169T98.4Very high98.2Very high19 Ų1946.2 Ų46.212%0.11725%0.249CC..SBendtrans-121156.6-178.271.60000110.6S94 S96 N167 T171 A172 V173S94-T169 WeakPolarHBondContact OG-CG2 3.44Å; S96-T169 WeakPolarHBondContact OG-CA 3.27Å; S96-T169 VanDerWaalsContact OG-CB 3.25Å; S96-T169 WeakPolarHBondContact OG-CB 3.46Å; S96-T169 WeakPolarHBondContact OG-CG2 3.27Å; N167-T169 HydrophobicContact CB-CG2 4.12Å; N167-T169 PolarHBondContact O-N 3.04Å; T169-T171 VanDerWaalsContact C-N 3.35Å; T169-T171 PolarHBondContact O-N 3.19Å; T169-A172 PolarHBondContact O-N 3.01Å; T169-A172 VanDerWaalsContact OG1-CB 3.27Å; T169-A172 WeakPolarHBondContact OG1-CB 3.34Å; T169-A172 PolarHBondContact OG1-N 3.16Å; T169-V173 WeakPolarHBondContact O-CG2 3.49Å; T169-V173 PolarHBondContact O-N 2.93Å
170L97.1Very high98.2Very high86 Ų8639.6 Ų39.645%0.4522%0.224SC..Hα-helixtrans-61.2-45178.1-174.165.1000111.6A172 V173 Q174L170-A172 PolarHBondContact O-N 2.74Å; L170-V173 PolarHBondContact O-N 2.87Å; L170-Q174 HydrophobicContact CD1-CG 4.12Å; L170-Q174 WeakPolarHBondContact O-CB 3.29Å; L170-Q174 PolarHBondContact O-N 3.37Å
171T97.2Very high98.2Very high86 Ų8642.5 Ų42.553%0.52824%0.239SC..Hα-helixtrans-60.2-44.1179.2-500000112.2T169 V173 Q174 S175 N176T169-T171 VanDerWaalsContact C-N 3.35Å; T169-T171 PolarHBondContact O-N 3.19Å; T171-V173 VanDerWaalsContact C-N 3.31Å; T171-V173 PolarHBondContact O-N 3.36Å; T171-Q174 PolarHBondContact O-N 3.03Å; T171-S175 WeakPolarHBondContact O-CA 3.46Å; T171-S175 WeakPolarHBondContact O-CB 3.45Å; T171-S175 PolarHBondContact O-N 2.9Å; T171-N176 PolarHBondContact O-N 3.15Å
172A97.6Very high98.2Very high1 Ų142.4 Ų42.41%0.00824%0.239CC..Hα-helixtrans-65.3-37.5179.700000111.7L166 N167 T169 L170 E178L166-A172 HydrophobicContact CD1-CB 3.76Å; N167-A172 HydrophobicContact CB-CB 4.31Å; N167-A172 VanDerWaalsContact O-CB 3.31Å; N167-A172 WeakPolarHBondContact O-CB 3.12Å; T169-A172 PolarHBondContact O-N 3.01Å; T169-A172 VanDerWaalsContact OG1-CB 3.27Å; T169-A172 WeakPolarHBondContact OG1-CB 3.34Å; T169-A172 PolarHBondContact OG1-N 3.16Å; L170-A172 PolarHBondContact O-N 2.74Å; A172-E178 HydrophobicContact CB-CG 4.36Å
173V97.9Very high98.2Very high2 Ų242.3 Ų42.31%0.01224%0.238CC..Hα-helixtrans-69.9-41177.4170.80000112.6F43 S45 F74 L166 T169 L170 T171F43-V173 HydrophobicContact CD1-CG1 4.28Å; F43-V173 WeakPolarHBondContact CD1-O 3.25Å; F43-V173 HydrophobicContact CE1-CG1 4.21Å; F43-V173 HydrophobicContact CE1-CG2 4.44Å; S45-V173 PolarHBondContact N-O 3.21Å; F74-V173 HydrophobicContact CB-CG1 3.9Å; F74-V173 HydrophobicContact CD1-CG1 4.36Å; F74-V173 HydrophobicContact CD2-CB 4.36Å; F74-V173 HydrophobicContact CD2-CG1 3.48Å; F74-V173 VanDerWaalsContact CD2-CG1 3.48Å; F74-V173 HydrophobicContact CD2-CG2 3.88Å; F74-V173 HydrophobicContact CE2-CG1 4.05Å; F74-V173 HydrophobicContact CE2-CG2 3.92Å; F74-V173 HydrophobicContact CG-CG1 3.66Å; L166-V173 HydrophobicContact CD1-CG2 4.12Å; L166-V173 HydrophobicContact CD2-CG2 4.4Å; T169-V173 WeakPolarHBondContact O-CG2 3.49Å; T169-V173 PolarHBondContact O-N 2.93Å; L170-V173 PolarHBondContact O-N 2.87Å; T171-V173 VanDerWaalsContact C-N 3.31Å; T171-V173 PolarHBondContact O-N 3.36Å
174Q97.4Very high98.1Very high78 Ų7844.3 Ų44.336%0.36425%0.245SC..Hα-helixtrans-104.6-16.2-167.3-67.3-177.3-21.800114.7P44 L170 T171P44-Q174 VanDerWaalsContact CB-C 3.46Å; P44-Q174 WeakPolarHBondContact CB-O 3.48Å; L170-Q174 HydrophobicContact CD1-CG 4.12Å; L170-Q174 WeakPolarHBondContact O-CB 3.29Å; L170-Q174 PolarHBondContact O-N 3.37Å; T171-Q174 PolarHBondContact O-N 3.03Å
175S97.3Very high98.1Very high84 Ų8446 Ų4659%0.58725%0.247SC*.THydrogen-bonded Turntrans-131.8-30.9-169.1-51.70000113.9T171T171-S175 WeakPolarHBondContact O-CA 3.46Å; T171-S175 WeakPolarHBondContact O-CB 3.45Å; T171-S175 PolarHBondContact O-N 2.9Å
176N98.1Very high97.9Very high63 Ų6347 Ų4734%0.33726%0.258SS..SBendtrans-86.1152.4-178.2-653.8000112.4F43 P44 T171 E178F43-N176 CarbonylContact C-O 3.51Å; F43-N176 VanDerWaalsContact C-O 3.26Å; P44-N176 WeakPolarHBondContact CD-O 3.3Å; T171-N176 PolarHBondContact O-N 3.15Å; N176-E178 HydrophobicContact CB-CG 3.63Å; N176-E178 WeakPolarHBondContact CB-OE1 3.3Å; N176-E178 PolarHBondContact ND2-OE1 3.47Å; N176-E178 VanDerWaalsContact ND2-OE1 3.11Å; N176-E178 PolarHBondContact O-N 3.33Å
177M98.4Very high97.8Very high177 Ų17755.2 Ų55.287%0.87230%0.296SS*.  trans-79103.6163.5-68.2-176.3-73.100108.7F43F43-M177 WeakPolarHBondContact O-CA 3.48Å
178E98.6Very high97.8Very high25 Ų2557.9 Ų57.912%0.11731%0.31CS..  trans-130.5161.5-178.1-53-79.5-175.600109.8F42 F43 S165 L166 A172 N176F42-E178 WeakPolarHBondContact CA-O 3.4Å; F43-E178 HydrophobicContact CB-CB 3.93Å; F43-E178 HydrophobicContact CD2-CB 4.02Å; F43-E178 HydrophobicContact CG-CB 4.27Å; F43-E178 PolarHBondContact N-O 3.02Å; S165-E178 VanDerWaalsContact C-OE2 3.25Å; S165-E178 WeakPolarHBondContact CB-OE2 3.49Å; S165-E178 WeakPolarHBondContact OG-CA 3.39Å; S165-E178 PolarHBondContact OG-OE2 3.47Å; L166-E178 HydrophobicContact CB-CB 4.15Å; L166-E178 HydrophobicContact CD1-CB 3.87Å; L166-E178 HydrophobicContact CD1-CG 3.84Å; A172-E178 HydrophobicContact CB-CG 4.36Å; N176-E178 HydrophobicContact CB-CG 3.63Å; N176-E178 WeakPolarHBondContact CB-OE1 3.3Å; N176-E178 PolarHBondContact ND2-OE1 3.47Å; N176-E178 VanDerWaalsContact ND2-OE1 3.11Å; N176-E178 PolarHBondContact O-N 3.33Å
179N98.6Very high97.8Very high59 Ų5957.6 Ų57.632%0.31631%0.309SS..EExtended strand (participates in β ladder)trans-132.5153.1171.969.9-88.7000111.3L41 F42 G164 S165L41-N179 WeakPolarHBondContact O-CA 3.39Å; F42-N179 HydrophobicContact CD1-CB 3.89Å; F42-N179 HydrophobicContact CE1-CB 3.89Å; G164-N179 WeakPolarHBondContact CA-O 3.32Å; S165-N179 PolarHBondContact N-O 2.97Å; S165-N179 PolarHBondContact OG-N 3.18Å
180I98.6Very high97.8Very high5 Ų561.8 Ų61.83%0.02633%0.327CS..EExtended strand (participates in β ladder)trans-136.2150163.666.9176.7000110.3V40 L41 F43 L77 I162 T163 L166 I182V40-I180 CarbonylContact C-O 3.58Å; V40-I180 WeakPolarHBondContact CA-O 3.33Å; L41-I180 HydrophobicContact CB-CD1 4.2Å; L41-I180 HydrophobicContact CB-CG1 3.73Å; L41-I180 HydrophobicContact CD1-CD1 3.65Å; L41-I180 HydrophobicContact CD1-CG1 4.07Å; L41-I180 HydrophobicContact CG-CD1 4.14Å; L41-I180 HydrophobicContact CG-CG1 3.99Å; L41-I180 PolarHBondContact N-O 3.14Å; L41-I180 PolarHBondContact O-N 3.39Å; F43-I180 HydrophobicContact CE2-CD1 4.15Å; F43-I180 HydrophobicContact CE2-CG1 4.02Å; F43-I180 HydrophobicContact CE2-CG2 4.11Å; F43-I180 HydrophobicContact CZ-CD1 4.23Å; L77-I180 HydrophobicContact CB-CD1 4.03Å; L77-I180 HydrophobicContact CD1-CD1 3.77Å; L77-I180 HydrophobicContact CD2-CD1 4.15Å; L77-I180 HydrophobicContact CG-CD1 4.19Å; I162-I180 HydrophobicContact CG2-CD1 4.2Å; T163-I180 CarbonylContact O-C 3.54Å; T163-I180 VanDerWaalsContact O-CA 3.32Å; T163-I180 WeakPolarHBondContact O-CA 3.36Å; L166-I180 HydrophobicContact CB-CG2 3.61Å; L166-I180 HydrophobicContact CD2-CG2 3.94Å; L166-I180 HydrophobicContact CG-CG2 4.43Å; I180-I182 HydrophobicContact CD1-CD1 4.4Å; I180-I182 HydrophobicContact CD1-CG1 4.47Å
181I98.6Very high97.9Very high69 Ų6961.2 Ų61.235%0.35433%0.329SS..EExtended strand (participates in β ladder)trans-110.9135171.5-57.4177000107K39 V40 I162 T163 T183K39-I181 CarbonylContact O-C 3.57Å; K39-I181 WeakPolarHBondContact O-CA 3.18Å; V40-I181 HydrophobicContact CG2-CG1 4.33Å; I162-I181 CarbonylContact C-O 3.5Å; I162-I181 WeakPolarHBondContact CA-O 3.25Å; T163-I181 HydrophobicContact CG2-CB 4.47Å; T163-I181 PolarHBondContact N-O 3.43Å; T163-I181 PolarHBondContact O-N 2.87Å; I181-T183 HydrophobicContact CG2-CG2 4.41Å
182I98.7Very high98Very high0 Ų059.7 Ų59.70%032%0.315CS..EExtended strand (participates in β ladder)trans-118.6118.3172.7-57.3172.5000107L37 N38 K39 L41 H80 L160 L161 I162 I180L37-I182 HydrophobicContact CD2-CG2 3.89Å; N38-I182 CarbonylContact C-O 3.47Å; N38-I182 WeakPolarHBondContact CA-O 3.37Å; K39-I182 HydrophobicContact CB-CB 4.38Å; K39-I182 PolarHBondContact N-O 3.45Å; K39-I182 PolarHBondContact O-N 3.38Å; L41-I182 HydrophobicContact CD1-CD1 3.87Å; L41-I182 HydrophobicContact CG-CD1 4.3Å; H80-I182 HydrophobicContact CB-CD1 4.39Å; L160-I182 HydrophobicContact CD1-CG2 4.17Å; L160-I182 HydrophobicContact CD2-CG2 4.11Å; L160-I182 HydrophobicContact CG-CG2 4.21Å; L161-I182 CarbonylContact O-C 3.57Å; L161-I182 VanDerWaalsContact O-CA 3.29Å; L161-I182 WeakPolarHBondContact O-CA 3.36Å; I162-I182 HydrophobicContact CG1-CG1 4.27Å; I162-I182 HydrophobicContact CG1-CG2 4.43Å; I162-I182 HydrophobicContact CG2-CG1 4.24Å; I180-I182 HydrophobicContact CD1-CD1 4.4Å; I180-I182 HydrophobicContact CD1-CG1 4.47Å
183T98.4Very high98Very high1 Ų160.9 Ų60.91%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-143.8146.3-173.9-176.80000113.2L37 N38 L160 L161 I181 E185 L188L37-T183 CarbonylContact O-C 3.57Å; L37-T183 WeakPolarHBondContact O-CA 3.15Å; N38-T183 WeakPolarHBondContact OD1-CB 3.39Å; N38-T183 PolarHBondContact OD1-OG1 3.21Å; L160-T183 WeakPolarHBondContact CA-O 3.38Å; L161-T183 HydrophobicContact CB-CG2 3.98Å; L161-T183 HydrophobicContact CD2-CG2 4.11Å; L161-T183 HydrophobicContact CG-CG2 4.38Å; L161-T183 PolarHBondContact N-O 2.59Å; L161-T183 PolarHBondContact O-N 2.8Å; I181-T183 HydrophobicContact CG2-CG2 4.41Å; T183-E185 WeakPolarHBondContact OG1-CB 3.48Å; T183-E185 VanDerWaalsContact OG1-CG 3.27Å; T183-E185 WeakPolarHBondContact OG1-CG 3.26Å; T183-E185 PolarHBondContact OG1-N 3.44Å; T183-L188 HydrophobicContact CG2-CB 4.24Å; T183-L188 HydrophobicContact CG2-CD1 4.04Å
184E97.6Very high98.1Very high69 Ų6967.2 Ų67.232%0.32235%0.348SS..  trans-107.313.2167.9-69.6-176.9141.400112.2L37 R159 L160 A186L37-E184 HydrophobicContact CB-CB 4.36Å; L37-E184 HydrophobicContact CB-CG 3.99Å; L37-E184 PolarHBondContact O-N 2.99Å; R159-E184 IonicContact NE-OE1 2.72Å; L160-E184 HydrophobicContact CB-CG 4.06Å; L160-E184 HydrophobicContact CD1-CG 4.01Å; L160-E184 HydrophobicContact CG-CG 4.27Å; E184-A186 PolarHBondContact O-N 3.02Å; E184-A186 VanDerWaalsContact O-N 3.12Å
185E97.1Very high98.1Very high60 Ų6067 Ų6728%0.2835%0.347SS..  trans-66.6111176.1-66.4-64165.100110.2T36 N38 T183 E187 L188 V189T36-E185 WeakPolarHBondContact CB-OE1 3.31Å; T36-E185 PolarHBondContact OG1-OE1 3.2Å; N38-E185 PolarHBondContact ND2-OE1 2.91Å; N38-E185 WeakPolarHBondContact OD1-CG 3.46Å; T183-E185 WeakPolarHBondContact OG1-CB 3.48Å; T183-E185 VanDerWaalsContact OG1-CG 3.27Å; T183-E185 WeakPolarHBondContact OG1-CG 3.26Å; T183-E185 PolarHBondContact OG1-N 3.44Å; E185-E187 PolarHBondContact O-N 3.27Å; E185-E187 VanDerWaalsContact O-N 3.15Å; E185-L188 HydrophobicContact CB-CB 4.38Å; E185-L188 HydrophobicContact CB-CD1 4.19Å; E185-L188 HydrophobicContact CB-CG 4.21Å; E185-L188 PolarHBondContact O-N 3.12Å; E185-V189 VanDerWaalsContact O-CG2 3.29Å; E185-V189 WeakPolarHBondContact O-CG2 3.45Å; E185-V189 PolarHBondContact O-N 2.95Å
186A95.6Very high98.2Very high60 Ų6063 Ų6350%0.49632%0.319SS..Hα-helixtrans-56.7-36-175.100000112.6E184 L188 V189 Q190E184-A186 PolarHBondContact O-N 3.02Å; E184-A186 VanDerWaalsContact O-N 3.12Å; A186-L188 PolarHBondContact O-N 3.03Å; A186-V189 PolarHBondContact O-N 2.85Å; A186-Q190 WeakPolarHBondContact O-CB 3.32Å; A186-Q190 VanDerWaalsContact O-CG 3.25Å; A186-Q190 WeakPolarHBondContact O-CG 3.47Å; A186-Q190 PolarHBondContact O-N 2.92Å
187E96.8Very high98.2Very high174 Ų17463 Ų6381%0.81332%0.319SS*.Hα-helixtrans-62.4-27.9177.6-65.3-177.3-178.800113E185 P191E185-E187 PolarHBondContact O-N 3.27Å; E185-E187 VanDerWaalsContact O-N 3.15Å; E187-P191 WeakPolarHBondContact O-CD 3.36Å; E187-P191 WeakPolarHBondContact O-CG 3.47Å
188L97.9Very high98Very high91 Ų9158.9 Ų58.948%0.47630%0.298SS..Hα-helixtrans-89.5-38.3173.9-61.1-179.7000111.6L161 T183 E185 A186 P191 F192L161-L188 HydrophobicContact CD2-CB 4.31Å; T183-L188 HydrophobicContact CG2-CB 4.24Å; T183-L188 HydrophobicContact CG2-CD1 4.04Å; E185-L188 HydrophobicContact CB-CB 4.38Å; E185-L188 HydrophobicContact CB-CD1 4.19Å; E185-L188 HydrophobicContact CB-CG 4.21Å; E185-L188 PolarHBondContact O-N 3.12Å; A186-L188 PolarHBondContact O-N 3.03Å; L188-P191 WeakPolarHBondContact O-CD 3.41Å; L188-F192 VanDerWaalsContact O-CD2 3.26Å; L188-F192 WeakPolarHBondContact O-CD2 3.49Å
189V98.5Very high97.9Very high1 Ų158.5 Ų58.51%0.00630%0.296CS..Hα-helixtrans-68.5-44.5-175.9175.90000111.8V155 R159 L161 E185 A186 F192 I193V155-V189 HydrophobicContact CG1-CG1 4.37Å; R159-V189 WeakPolarHBondContact O-CG2 3.29Å; L161-V189 HydrophobicContact CB-CG2 3.77Å; E185-V189 VanDerWaalsContact O-CG2 3.29Å; E185-V189 WeakPolarHBondContact O-CG2 3.45Å; E185-V189 PolarHBondContact O-N 2.95Å; A186-V189 PolarHBondContact O-N 2.85Å; V189-F192 PolarHBondContact O-N 2.9Å; V189-I193 HydrophobicContact CG1-CD1 3.69Å; V189-I193 HydrophobicContact CG1-CG1 4.24Å; V189-I193 PolarHBondContact O-N 3.35Å; V189-I193 VanDerWaalsContact O-N 3.1Å
190Q98.4Very high97.7Very high107 Ų10757.2 Ų57.250%0.529%0.287SS..Hα-helixtrans-62.3-43.6-172.2-67.5-58.6-42.100113.9A186 F192 I193 K194A186-Q190 WeakPolarHBondContact O-CB 3.32Å; A186-Q190 VanDerWaalsContact O-CG 3.25Å; A186-Q190 WeakPolarHBondContact O-CG 3.47Å; A186-Q190 PolarHBondContact O-N 2.92Å; Q190-F192 VanDerWaalsContact C-N 3.32Å; Q190-F192 PolarHBondContact O-N 3.23Å; Q190-I193 PolarHBondContact O-N 3.3Å; Q190-K194 PolarHBondContact O-N 2.82Å
191P98.7Very high97.6Very high74 Ų7459.6 Ų59.648%0.48131%0.308SS..Hα-helixtrans-58.4-39.5173.8-2735.7000113.8E187 L188 K194 E195E187-P191 WeakPolarHBondContact O-CD 3.36Å; E187-P191 WeakPolarHBondContact O-CG 3.47Å; L188-P191 WeakPolarHBondContact O-CD 3.41Å; P191-K194 WeakPolarHBondContact O-CB 3.3Å; P191-K194 PolarHBondContact O-N 2.86Å; P191-E195 WeakPolarHBondContact O-CB 3.3Å; P191-E195 PolarHBondContact O-N 3.12Å
192F98.8Very high97.3Very high53 Ų5362.4 Ų62.423%0.23232%0.323CS..Hα-helixtrans-68.1-38.1178.3-83.5-96.8000112.5F153 V155 L161 T163 L188 V189 Q190 K194 E195 F196F153-F192 HydrophobicContact CB-CD1 3.94Å; F153-F192 HydrophobicContact CB-CE1 3.93Å; F153-F192 AromaticContact CD1-CD1 3.48Å; F153-F192 HydrophobicContact CD1-CD1 3.48Å; F153-F192 VanDerWaalsContact CD1-CD1 3.48Å; F153-F192 AromaticContact CD1-CE1 3.68Å; F153-F192 HydrophobicContact CD1-CE1 3.68Å; F153-F192 HydrophobicContact CD2-CB 4.48Å; F153-F192 AromaticContact CD2-CD1 3.74Å; F153-F192 HydrophobicContact CD2-CD1 3.74Å; F153-F192 AromaticContact CE1-CD1 3.8Å; F153-F192 HydrophobicContact CE1-CD1 3.8Å; F153-F192 HydrophobicContact CE1-CE1 4.29Å; F153-F192 HydrophobicContact CE2-CB 4.33Å; F153-F192 HydrophobicContact CE2-CD1 4.05Å; F153-F192 AromaticContact CG-CD1 3.45Å; F153-F192 HydrophobicContact CG-CD1 3.45Å; F153-F192 VanDerWaalsContact CG-CD1 3.45Å; F153-F192 AromaticContact CG-CE1 3.83Å; F153-F192 HydrophobicContact CG-CE1 3.83Å; F153-F192 HydrophobicContact CZ-CD1 4.07Å; V155-F192 HydrophobicContact CG2-CB 4.4Å; L161-F192 HydrophobicContact CD1-CB 3.85Å; L161-F192 HydrophobicContact CD1-CD1 3.76Å; L161-F192 HydrophobicContact CD1-CD2 4.12Å; L161-F192 HydrophobicContact CD1-CE1 4.3Å; L161-F192 HydrophobicContact CD1-CG 3.63Å; L161-F192 HydrophobicContact CD2-CB 4.49Å; L161-F192 HydrophobicContact CD2-CD2 3.5Å; L161-F192 VanDerWaalsContact CD2-CD2 3.5Å; L161-F192 HydrophobicContact CD2-CE2 3.7Å; L161-F192 HydrophobicContact CD2-CG 3.93Å; L161-F192 HydrophobicContact CD2-CZ 4.3Å; L161-F192 HydrophobicContact CG-CD2 4.48Å; L161-F192 HydrophobicContact CG-CG 4.46Å; T163-F192 HydrophobicContact CG2-CZ 4.09Å; T163-F192 WeakPolarHBondContact OG1-CE1 3.11Å; L188-F192 VanDerWaalsContact O-CD2 3.26Å; L188-F192 WeakPolarHBondContact O-CD2 3.49Å; V189-F192 PolarHBondContact O-N 2.9Å; Q190-F192 VanDerWaalsContact C-N 3.32Å; Q190-F192 PolarHBondContact O-N 3.23Å; F192-K194 VanDerWaalsContact C-N 3.33Å; F192-E195 PolarHBondContact O-N 3.18Å; F192-F196 WeakPolarHBondContact O-CB 3.18Å; F192-F196 PolarHBondContact O-N 2.6Å
193I98.8Very high96.9Very high27 Ų2763 Ų6314%0.13833%0.325CS..Hα-helixtrans-61.8-44.3172.5-68.5172.6000110.6V155 G158 V189 Q190 F196 N197V155-I193 HydrophobicContact CB-CG1 4.46Å; V155-I193 HydrophobicContact CG1-CD1 4.06Å; V155-I193 HydrophobicContact CG1-CG1 3.82Å; V155-I193 HydrophobicContact CG2-CG1 4.16Å; G158-I193 VanDerWaalsContact O-CD1 3.32Å; G158-I193 WeakPolarHBondContact O-CD1 3.31Å; V189-I193 HydrophobicContact CG1-CD1 3.69Å; V189-I193 HydrophobicContact CG1-CG1 4.24Å; V189-I193 PolarHBondContact O-N 3.35Å; V189-I193 VanDerWaalsContact O-N 3.1Å; Q190-I193 PolarHBondContact O-N 3.3Å; I193-F196 PolarHBondContact O-N 2.99Å; I193-N197 WeakPolarHBondContact CG2-ND2 3.35Å; I193-N197 WeakPolarHBondContact O-CB 3.4Å; I193-N197 PolarHBondContact O-N 3.16Å; I193-N197 PolarHBondContact O-ND2 3.45Å; I193-N197 VanDerWaalsContact O-ND2 3.1Å
194K98.6Very high96.6Very high135 Ų13565.2 Ų65.259%0.58734%0.337SS*.Hα-helixtrans-60.9-49.8178.6-175.9-178176.8-175.10111Q190 P191 F192 F196 N197 Q198Q190-K194 PolarHBondContact O-N 2.82Å; P191-K194 WeakPolarHBondContact O-CB 3.3Å; P191-K194 PolarHBondContact O-N 2.86Å; F192-K194 VanDerWaalsContact C-N 3.33Å; K194-F196 PolarHBondContact O-N 3.13Å; K194-N197 PolarHBondContact O-N 3.11Å; K194-Q198 WeakPolarHBondContact O-CG 3.44Å; K194-Q198 PolarHBondContact O-N 3.04Å
195E98.1Very high96.1Very high72 Ų7265.2 Ų65.234%0.33634%0.344SS..Hα-helixtrans-59-47.5177.9-175.559.6-153.700111.2P191 F192 N197 Q198 I199P191-E195 WeakPolarHBondContact O-CB 3.3Å; P191-E195 PolarHBondContact O-N 3.12Å; F192-E195 PolarHBondContact O-N 3.18Å; E195-N197 VanDerWaalsContact C-N 3.32Å; E195-N197 PolarHBondContact O-N 3.24Å; E195-Q198 PolarHBondContact O-N 2.88Å; E195-Q198 VanDerWaalsContact O-N 3.15Å; E195-Q198 PolarHBondContact OE2-OE1 3.19Å; E195-I199 HydrophobicContact CG-CD1 3.96Å; E195-I199 HydrophobicContact CG-CG1 4.5Å; E195-I199 WeakPolarHBondContact O-CG1 3.42Å; E195-I199 PolarHBondContact O-N 3.47Å; E195-I199 WeakPolarHBondContact OE1-CD1 3.38Å; E195-I199 WeakPolarHBondContact OE1-CG1 3.33Å
196F98.3Very high95.5Very high0 Ų065.1 Ų65.10%035%0.353CS..Hα-helixtrans-54.4-49.8176.5-174-82.2000111.4D89 C91 R115 L117 F153 F192 I193 K194 Q198 I199 W200D89-F196 HydrophobicContact CB-CD1 4.03Å; D89-F196 HydrophobicContact CB-CD2 3.91Å; D89-F196 HydrophobicContact CB-CE1 3.93Å; D89-F196 HydrophobicContact CB-CE2 3.77Å; D89-F196 HydrophobicContact CB-CG 4.04Å; D89-F196 HydrophobicContact CB-CZ 3.79Å; C91-F196 HydrophobicContact CB-CD2 4.13Å; C91-F196 HydrophobicContact CB-CE2 4.38Å; R115-F196 HydrophobicContact CB-CE1 3.87Å; R115-F196 HydrophobicContact CB-CZ 3.64Å; R115-F196 VanDerWaalsContact CZ-CE1 3.43Å; L117-F196 HydrophobicContact CB-CE2 4.32Å; L117-F196 HydrophobicContact CD1-CD2 3.8Å; L117-F196 HydrophobicContact CD1-CE1 4.38Å; L117-F196 HydrophobicContact CD1-CE2 3.68Å; L117-F196 HydrophobicContact CD1-CG 4.22Å; L117-F196 HydrophobicContact CD1-CZ 3.98Å; L117-F196 HydrophobicContact CG-CE2 3.98Å; L117-F196 HydrophobicContact CG-CZ 4.1Å; F153-F196 HydrophobicContact CE2-CB 4.16Å; F153-F196 HydrophobicContact CE2-CD2 4.05Å; F153-F196 HydrophobicContact CZ-CB 4.04Å; F153-F196 HydrophobicContact CZ-CD2 4.14Å; F192-F196 WeakPolarHBondContact O-CB 3.18Å; F192-F196 PolarHBondContact O-N 2.6Å; I193-F196 PolarHBondContact O-N 2.99Å; K194-F196 PolarHBondContact O-N 3.13Å; F196-Q198 VanDerWaalsContact C-N 3.31Å; F196-Q198 PolarHBondContact O-N 2.7Å; F196-I199 PolarHBondContact O-N 2.11Å; F196-W200 HydrophobicContact CD1-CB 4.35Å; F196-W200 HydrophobicContact CE1-CB 4.17Å; F196-W200 HydrophobicContact CE1-CD2 4.13Å; F196-W200 AromaticContact CE1-CE3 3.86Å; F196-W200 HydrophobicContact CE1-CE3 3.86Å; F196-W200 HydrophobicContact CE1-CG 4.28Å; F196-W200 AromaticContact CZ-CE3 3.82Å; F196-W200 HydrophobicContact CZ-CE3 3.82Å; F196-W200 HydrophobicContact CZ-CZ3 4.3Å; F196-W200 WeakPolarHBondContact O-CB 3.38Å; F196-W200 PolarHBondContact O-N 2.93Å
197N98.1Very high94.9Very high63 Ų6366.6 Ų66.634%0.33735%0.352SS..Hα-helixtrans-65.4-34.2-178.7-73.6-38.3000112.6R115 I193 K194 E195 A201R115-N197 PolarHBondContact NH1-OD1 2.91Å; R115-N197 PolarHBondContact NH2-OD1 2.55Å; I193-N197 WeakPolarHBondContact CG2-ND2 3.35Å; I193-N197 WeakPolarHBondContact O-CB 3.4Å; I193-N197 PolarHBondContact O-N 3.16Å; I193-N197 PolarHBondContact O-ND2 3.45Å; I193-N197 VanDerWaalsContact O-ND2 3.1Å; K194-N197 PolarHBondContact O-N 3.11Å; E195-N197 VanDerWaalsContact C-N 3.32Å; E195-N197 PolarHBondContact O-N 3.24Å; N197-A201 WeakPolarHBondContact O-CB 3.38Å; N197-A201 PolarHBondContact O-N 2.86Å
198Q96.1Very high93.6Very high91 Ų9163.4 Ų63.443%0.42534%0.335SS..Hα-helixtrans-65.2-54175.3-74175-3600111.2K194 E195 F196 W200 A201 L202K194-Q198 WeakPolarHBondContact O-CG 3.44Å; K194-Q198 PolarHBondContact O-N 3.04Å; E195-Q198 PolarHBondContact O-N 2.88Å; E195-Q198 VanDerWaalsContact O-N 3.15Å; E195-Q198 PolarHBondContact OE2-OE1 3.19Å; F196-Q198 VanDerWaalsContact C-N 3.31Å; F196-Q198 PolarHBondContact O-N 2.7Å; Q198-W200 VanDerWaalsContact C-N 3.26Å; Q198-W200 PolarHBondContact O-N 3.12Å; Q198-A201 PolarHBondContact O-N 3.5Å; Q198-L202 WeakPolarHBondContact O-CG 3.25Å; Q198-L202 PolarHBondContact O-N 3.47Å
199I95.2Very high92Very high17 Ų1768.7 Ų68.79%0.08735%0.351CS..Hα-helixtrans-61.2-39.8177.7-58169.6000110.3L117 E195 F196 L202 N203L117-I199 HydrophobicContact CD1-CB 3.79Å; L117-I199 HydrophobicContact CD1-CG2 3.71Å; L117-I199 HydrophobicContact CD2-CG2 3.97Å; L117-I199 HydrophobicContact CG-CG2 4.42Å; E195-I199 HydrophobicContact CG-CD1 3.96Å; E195-I199 HydrophobicContact CG-CG1 4.5Å; E195-I199 WeakPolarHBondContact O-CG1 3.42Å; E195-I199 PolarHBondContact O-N 3.47Å; E195-I199 WeakPolarHBondContact OE1-CD1 3.38Å; E195-I199 WeakPolarHBondContact OE1-CG1 3.33Å; F196-I199 PolarHBondContact O-N 2.11Å; I199-L202 PolarHBondContact O-N 3.23Å; I199-N203 WeakPolarHBondContact CG2-ND2 3.31Å; I199-N203 WeakPolarHBondContact O-CB 3.49Å; I199-N203 PolarHBondContact O-N 2.95Å; I199-N203 VanDerWaalsContact O-N 3.08Å; I199-N203 PolarHBondContact O-ND2 3.47Å
200W95.9Very high90Very high33 Ų3377.5 Ų77.513%0.12539%0.389CS..Hα-helixtrans-57.5-52.5177.1-172.5-98.1000111R115 V116 L117 C139 R141 F196 Q198 L202 N203 D204R115-W200 HydrophobicContact CB-CD2 4.49Å; R115-W200 HydrophobicContact CB-CE3 4.1Å; R115-W200 HydrophobicContact CB-CH2 3.67Å; R115-W200 HydrophobicContact CB-CZ2 4.07Å; R115-W200 HydrophobicContact CB-CZ3 3.69Å; R115-W200 HydrophobicContact CG-CH2 4.01Å; R115-W200 HydrophobicContact CG-CZ2 3.93Å; R115-W200 HydrophobicContact CG-CZ3 4.45Å; V116-W200 WeakPolarHBondContact O-CZ3 3.43Å; L117-W200 HydrophobicContact CD1-CB 4.45Å; L117-W200 HydrophobicContact CD1-CE3 4.34Å; L117-W200 HydrophobicContact CD2-CE3 3.83Å; L117-W200 HydrophobicContact CD2-CZ3 4.33Å; L117-W200 HydrophobicContact CG-CE3 3.8Å; L117-W200 HydrophobicContact CG-CZ3 4.3Å; C139-W200 HydrophobicContact CB-CH2 3.94Å; C139-W200 HydrophobicContact CB-CZ2 4.22Å; R141-W200 HydrophobicContact CB-CE3 4.26Å; R141-W200 HydrophobicContact CB-CH2 4.44Å; R141-W200 HydrophobicContact CB-CZ3 3.97Å; R141-W200 WeakPolarHBondContact CD-O 3.18Å; R141-W200 HydrophobicContact CG-CE3 4.23Å; R141-W200 HydrophobicContact CG-CH2 3.9Å; R141-W200 HydrophobicContact CG-CZ2 4.23Å; R141-W200 HydrophobicContact CG-CZ3 3.89Å; R141-W200 PolarHBondContact NH1-O 3.3Å; F196-W200 HydrophobicContact CD1-CB 4.35Å; F196-W200 HydrophobicContact CE1-CB 4.17Å; F196-W200 HydrophobicContact CE1-CD2 4.13Å; F196-W200 AromaticContact CE1-CE3 3.86Å; F196-W200 HydrophobicContact CE1-CE3 3.86Å; F196-W200 HydrophobicContact CE1-CG 4.28Å; F196-W200 AromaticContact CZ-CE3 3.82Å; F196-W200 HydrophobicContact CZ-CE3 3.82Å; F196-W200 HydrophobicContact CZ-CZ3 4.3Å; F196-W200 WeakPolarHBondContact O-CB 3.38Å; F196-W200 PolarHBondContact O-N 2.93Å; Q198-W200 VanDerWaalsContact C-N 3.26Å; Q198-W200 PolarHBondContact O-N 3.12Å; W200-L202 PolarHBondContact O-N 3.36Å; W200-N203 PolarHBondContact O-N 3.24Å; W200-D204 PolarHBondContact O-N 2.86Å
201A94.4Very high87.8Confident55 Ų5585.8 Ų85.846%0.45542%0.416SS..Hα-helixtrans-63.5-39.9-179.600000112.7N197 Q198 N203 D204 L207N197-A201 WeakPolarHBondContact O-CB 3.38Å; N197-A201 PolarHBondContact O-N 2.86Å; Q198-A201 PolarHBondContact O-N 3.5Å; A201-N203 VanDerWaalsContact C-N 3.27Å; A201-N203 PolarHBondContact O-N 3.46Å; A201-D204 WeakPolarHBondContact O-CB 3.34Å; A201-D204 PolarHBondContact O-N 3.18Å; A201-L207 WeakPolarHBondContact O-CD1 3.48Å
202L92.4Very high87.3Confident128 Ų12886.4 Ų86.467%0.6741%0.412SS*.Hα-helixtrans-63.4-33.8177.9-72.6171.9000112.7Q198 I199 W200 D204Q198-L202 WeakPolarHBondContact O-CG 3.25Å; Q198-L202 PolarHBondContact O-N 3.47Å; I199-L202 PolarHBondContact O-N 3.23Å; W200-L202 PolarHBondContact O-N 3.36Å; L202-D204 VanDerWaalsContact C-N 3.32Å; L202-D204 PolarHBondContact O-N 3.4Å
203N91.8Very high86.7Confident11 Ų1188.2 Ų88.26%0.05942%0.422CS..THydrogen-bonded Turntrans-96.326.1-178.5-71.2-69.9000112.9R141 C142 D143 A144 I199 W200 A201 P205R141-N203 HydrophobicContact CB-CB 4.22Å; R141-N203 VanDerWaalsContact CD-O 3.28Å; R141-N203 WeakPolarHBondContact CD-O 3.23Å; C142-N203 PolarHBondContact O-OD1 3.39Å; D143-N203 WeakPolarHBondContact CA-OD1 3.27Å; D143-N203 PolarHBondContact OD1-ND2 2.83Å; D143-N203 PolarHBondContact OD1-OD1 3.13Å; A144-N203 PolarHBondContact N-OD1 3.19Å; I199-N203 WeakPolarHBondContact CG2-ND2 3.31Å; I199-N203 WeakPolarHBondContact O-CB 3.49Å; I199-N203 PolarHBondContact O-N 2.95Å; I199-N203 VanDerWaalsContact O-N 3.08Å; I199-N203 PolarHBondContact O-ND2 3.47Å; W200-N203 PolarHBondContact O-N 3.24Å; A201-N203 VanDerWaalsContact C-N 3.27Å; A201-N203 PolarHBondContact O-N 3.46Å; N203-P205 VanDerWaalsContact O-CD 3.32Å; N203-P205 WeakPolarHBondContact O-CD 3.41Å
204D91.5Very high86Confident48 Ų4891.6 Ų91.626%0.25744%0.437SS..  trans-69.5119.5175-161-45.4000111.6R141 W200 A201 L202 A206 L207 F208R141-D204 IonicContact CZ-OD2 3.03Å; R141-D204 VanDerWaalsContact NH1-CA 3.33Å; R141-D204 VanDerWaalsContact NH1-CB 3.29Å; R141-D204 IonicContact NH1-OD2 2.6Å; R141-D204 PolarHBondContact NH1-OD2 2.82Å; R141-D204 VanDerWaalsContact NH1-OD2 3.12Å; R141-D204 IonicContact NH2-OD1 3.64Å; R141-D204 PolarHBondContact NH2-OD1 3.41Å; R141-D204 IonicContact NH2-OD2 2.9Å; R141-D204 PolarHBondContact NH2-OD2 3.11Å; W200-D204 PolarHBondContact O-N 2.86Å; A201-D204 WeakPolarHBondContact O-CB 3.34Å; A201-D204 PolarHBondContact O-N 3.18Å; L202-D204 VanDerWaalsContact C-N 3.32Å; L202-D204 PolarHBondContact O-N 3.4Å; D204-A206 PolarHBondContact O-N 3.33Å; D204-A206 VanDerWaalsContact O-N 3.08Å; D204-A206 VanDerWaalsContact OD1-CB 3.31Å; D204-A206 WeakPolarHBondContact OD1-CB 3.44Å; D204-A206 PolarHBondContact OD1-N 3.31Å; D204-L207 HydrophobicContact CB-CD1 3.98Å; D204-L207 HydrophobicContact CB-CG 4.05Å; D204-L207 WeakPolarHBondContact O-CB 3.43Å; D204-L207 PolarHBondContact O-N 3.3Å; D204-F208 WeakPolarHBondContact O-CD2 3.35Å
205P86.3Confident85.2Confident70 Ų7089 Ų8946%0.45543%0.429SS..Hα-helixtrans-53.1-31.5176.8-27.636.7000113.8N203 L207 F208 Y209N203-P205 VanDerWaalsContact O-CD 3.32Å; N203-P205 WeakPolarHBondContact O-CD 3.41Å; P205-L207 PolarHBondContact O-N 3.08Å; P205-F208 PolarHBondContact O-N 2.73Å; P205-Y209 WeakPolarHBondContact O-CD2 3.21Å
206A86.3Confident84.4Confident57 Ų5790.1 Ų90.147%0.47143%0.434SS..Hα-helixtrans-66.7-20.5-179.500000113.5D204 F208D204-A206 PolarHBondContact O-N 3.33Å; D204-A206 VanDerWaalsContact O-N 3.08Å; D204-A206 VanDerWaalsContact OD1-CB 3.31Å; D204-A206 WeakPolarHBondContact OD1-CB 3.44Å; D204-A206 PolarHBondContact OD1-N 3.31Å; A206-F208 VanDerWaalsContact C-N 3.35Å
207L82.1Confident83.5Confident91 Ų9196.1 Ų96.148%0.47646%0.463SS..Hα-helixtrans-74.2-27.7176.6-66.1172.6000112.2A201 D204 P205 K210A201-L207 WeakPolarHBondContact O-CD1 3.48Å; D204-L207 HydrophobicContact CB-CD1 3.98Å; D204-L207 HydrophobicContact CB-CG 4.05Å; D204-L207 WeakPolarHBondContact O-CB 3.43Å; D204-L207 PolarHBondContact O-N 3.3Å; P205-L207 PolarHBondContact O-N 3.08Å; L207-K210 PolarHBondContact O-N 3.36Å
208F69.6Low82.5Confident107 Ų10798.4 Ų98.447%0.46947%0.472SS..Hα-helixtrans-78.7-18.9-178.4-61.3-80.7000113.4A144 D204 P205 A206 K210A144-F208 HydrophobicContact CB-CE1 4.09Å; A144-F208 HydrophobicContact CB-CZ 3.61Å; D204-F208 WeakPolarHBondContact O-CD2 3.35Å; P205-F208 PolarHBondContact O-N 2.73Å; A206-F208 VanDerWaalsContact C-N 3.35Å; F208-K210 VanDerWaalsContact C-N 3.34Å
209Y63.8Low81.4Confident203 Ų20399 Ų9980%0.79648%0.476SS*.THydrogen-bonded Turntrans-84.9-5.6175.1-75.2-80.9000113.8P205P205-Y209 WeakPolarHBondContact O-CD2 3.21Å
210K57.5Low80.3Confident186 Ų186105.8 Ų105.881%0.80951%0.508SS*.THydrogen-bonded Turntrans-103.83.5-179.5-70.9-173.5177.4-178.10114L207 F208L207-K210 PolarHBondContact O-N 3.36Å; F208-K210 VanDerWaalsContact C-N 3.34Å
211R51.7Low78.8Confident281 Ų281112.5 Ų112.5100%1.0654%0.543SS*.  trans-111.60173.8-70.4-175.5-179.4177.41.4109.2

Retrieved 211 of 211 residues in 538.2 ms (Link to these results)

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