A0A087Y5V4_POEFO Loading...

Ras-related protein Rab-20

AlphaFold DB , UniProt , Accession A0A087Y5V4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 263 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
1M38.8Very low57.2Low232 Ų232130.8 Ų130.8100%1.14367%0.666SS**  0126.90-63.8-160.6170.900107.2D3M1-D3 PolarHBondContact O-N 3.04Å
2P40Very low60.1Low124 Ų124120.6 Ų120.681%0.80562%0.615SS**  trans-65.2135.2177.426.7-30.1000109.3L4P2-L4 PolarHBondContact O-N 3.31Å
3D37.2Very low62.7Low118 Ų118114.2 Ų114.263%0.63158%0.58SS**  trans-67.1111.6-174-174.4-0.9000110.9M1 S5M1-D3 PolarHBondContact O-N 3.04Å; D3-S5 PolarHBondContact O-N 3.03Å; D3-S5 WeakPolarHBondContact OD1-CB 3.07Å; D3-S5 PolarHBondContact OD1-N 3.48Å; D3-S5 PolarHBondContact OD1-OG 3.26Å; D3-S5 PolarHBondContact OD2-OG 3.05Å
4L50.8Low65Low152 Ų152106.3 Ų106.380%0.79654%0.54SS*.G310 helixtrans-68.2-6.1177.6-83.2146.6000113P2 K6P2-L4 PolarHBondContact O-N 3.31Å; L4-K6 VanDerWaalsContact C-N 3.3Å; L4-K6 PolarHBondContact O-N 3.48Å
5S49.3Very low67.2Low84 Ų8499.2 Ų99.259%0.58750%0.504SS*.G310 helixtrans-78.6-0.1-17473.10000115.7D3D3-S5 PolarHBondContact O-N 3.03Å; D3-S5 WeakPolarHBondContact OD1-CB 3.07Å; D3-S5 PolarHBondContact OD1-N 3.48Å; D3-S5 PolarHBondContact OD1-OG 3.26Å; D3-S5 PolarHBondContact OD2-OG 3.05Å
6K48.4Very low69Low180 Ų18093 Ų9378%0.78347%0.472SS*.G310 helixtrans-138.135.1179.5-69.1-175.1-176.7171.70115.1L4 K8L4-K6 VanDerWaalsContact C-N 3.3Å; L4-K6 PolarHBondContact O-N 3.48Å; K6-K8 PolarHBondContact O-N 3.39Å
7M53.4Low70.7Confident129 Ų12987.6 Ų87.664%0.63545%0.445SS*.  trans-68.5102.1160.2-74.5-173.481.600108.1K9 L49M7-K9 PolarHBondContact O-N 2.86Å; M7-L49 HydrophobicContact CE-CD2 4.1Å
8K62.9Low72.1Confident167 Ų16782.8 Ų82.873%0.72642%0.421SS*.PPolyproline II helixtrans-52.6129.1171.7-75.1-177.9178.5178.80107.9K6K6-K8 PolarHBondContact O-N 3.39Å
9K77.8Confident73.3Confident175 Ų17580.5 Ų80.576%0.76141%0.409SS*.PPolyproline II helixtrans-48.8131.8172.9-178.6-179.8177.4179.30108.3M7 D11M7-K9 PolarHBondContact O-N 2.86Å; K9-D11 PolarHBondContact O-N 2.95Å
10P81.9Confident74.3Confident40 Ų4079.9 Ų79.926%0.2641%0.406SS..PPolyproline II helixtrans-57.7138.2178.523.5-32.9000109.8L49 N56P10-L49 HydrophobicContact CB-CD1 4.28Å; P10-N56 CarbonylContact C-O 3.56Å
11D88.8Confident75.2Confident38 Ų3881.4 Ų81.420%0.20342%0.415CS..SBendtrans-72.8-37.3-179.6-66.3-66.9000111.1K9 Y55 N56 R236K9-D11 PolarHBondContact O-N 2.95Å; D11-Y55 HydrophobicContact CB-CD1 4.14Å; D11-N56 PolarHBondContact N-O 3.5Å; D11-N56 PolarHBondContact OD2-N 3.02Å; D11-R236 PolarHBondContact O-NH2 3.26Å; D11-R236 IonicContact OD1-NH1 3.2Å; D11-R236 PolarHBondContact OD1-NH1 3.09Å
12V91.4Very high77.9Confident8 Ų870.4 Ų70.45%0.04836%0.361CS..EExtended strand (participates in β ladder)trans-130.5143-175.8-177.60000109.8N56 I57 S58 A80 A228 V229 I232V12-N56 PolarHBondContact N-O 3.26Å; V12-I57 HydrophobicContact CB-CG1 4.26Å; V12-I57 HydrophobicContact CB-CG2 4.27Å; V12-I57 HydrophobicContact CG1-CG2 4.31Å; V12-S58 PolarHBondContact O-N 3.01Å; V12-S58 PolarHBondContact O-OG 3.25Å; V12-A80 HydrophobicContact CG1-CB 4.25Å; V12-A228 HydrophobicContact CG1-CB 4.16Å; V12-V229 HydrophobicContact CG2-CG2 3.89Å; V12-I232 HydrophobicContact CB-CD1 4.07Å; V12-I232 HydrophobicContact CG1-CD1 3.63Å; V12-I232 HydrophobicContact CG2-CD1 3.56Å
13K93.9Very high80.5Confident38 Ų3865.1 Ų65.117%0.16533%0.329CS..EExtended strand (participates in β ladder)trans-119.6120.5174.6-177.8175.5173.5-174.90109.9V15 S58 Y75 R77 A80 A81K13-V15 HydrophobicContact CG-CG2 4.22Å; K13-S58 WeakPolarHBondContact CA-O 3.08Å; K13-S58 WeakPolarHBondContact CA-OG 3.47Å; K13-Y75 WeakPolarHBondContact CE-O 3.25Å; K13-Y75 PolarHBondContact NZ-O 2.97Å; K13-R77 PolarHBondContact NZ-O 3.44Å; K13-A80 PolarHBondContact O-N 3.38Å; K13-A81 PolarHBondContact O-N 2.91Å
14L95.8Very high83.3Confident3 Ų359.9 Ų59.92%0.01630%0.3CS..EExtended strand (participates in β ladder)trans-112138.9173.8-173.5146.9000109.2F16 S58 I59 W60 A81 I83 L224 F225L14-F16 HydrophobicContact CD2-CD2 3.93Å; L14-F16 HydrophobicContact CD2-CE2 3.73Å; L14-S58 PolarHBondContact N-O 3.45Å; L14-I59 HydrophobicContact CB-CG1 4.27Å; L14-I59 HydrophobicContact CD2-CG1 4.45Å; L14-I59 HydrophobicContact CD2-CG2 3.83Å; L14-I59 CarbonylContact O-C 3.52Å; L14-I59 WeakPolarHBondContact O-CA 3.48Å; L14-W60 PolarHBondContact O-N 3.06Å; L14-A81 VanDerWaalsContact CA-O 3.3Å; L14-A81 WeakPolarHBondContact CA-O 3.26Å; L14-A81 HydrophobicContact CB-CB 4.48Å; L14-A81 HydrophobicContact CD1-CB 4.04Å; L14-A81 HydrophobicContact CG-CB 4.16Å; L14-I83 HydrophobicContact CD1-CD1 3.96Å; L14-I83 HydrophobicContact CD1-CG1 4.26Å; L14-I83 HydrophobicContact CD2-CD1 3.68Å; L14-I83 HydrophobicContact CD2-CG1 4Å; L14-I83 HydrophobicContact CG-CD1 4.26Å; L14-I83 HydrophobicContact CG-CG1 4.32Å; L14-L224 HydrophobicContact CD1-CB 4.32Å; L14-L224 HydrophobicContact CD1-CD1 4.14Å; L14-F225 HydrophobicContact CD1-CE1 4.08Å
15V97Very high85.5Confident0 Ų053.7 Ų53.70%027%0.269CS..EExtended strand (participates in β ladder)trans-130.6131.9-178.3-175.30000110.2K13 L17 W60 T62 Y75 A79 A81 I82 I83K13-V15 HydrophobicContact CG-CG2 4.22Å; V15-L17 HydrophobicContact CG1-CD2 4.28Å; V15-L17 HydrophobicContact CG1-CG 4.35Å; V15-W60 HydrophobicContact CB-CB 4.44Å; V15-W60 HydrophobicContact CG1-CB 4.26Å; V15-W60 HydrophobicContact CG2-CB 4.14Å; V15-W60 HydrophobicContact CG2-CG 4.43Å; V15-T62 HydrophobicContact CG1-CG2 3.89Å; V15-Y75 WeakPolarHBondContact CG2-O 3.32Å; V15-A79 HydrophobicContact CB-CB 4.5Å; V15-A79 HydrophobicContact CG2-CB 3.69Å; V15-A81 PolarHBondContact N-O 3.4Å; V15-I82 HydrophobicContact CB-CG1 4.42Å; V15-I82 WeakPolarHBondContact O-CA 2.94Å; V15-I83 PolarHBondContact O-N 2.99Å
16F97Very high87.7Confident0 Ų050.2 Ų50.20%025%0.245CC..EExtended strand (participates in β ladder)trans-86.4136.6168.1-81.3-94.2000110.4L14 K24 L27 L28 I59 W60 T62 I83 F221L14-F16 HydrophobicContact CD2-CD2 3.93Å; L14-F16 HydrophobicContact CD2-CE2 3.73Å; F16-K24 HydrophobicContact CB-CB 4.19Å; F16-K24 HydrophobicContact CB-CD 4.14Å; F16-K24 HydrophobicContact CB-CG 4.35Å; F16-K24 HydrophobicContact CD1-CB 4.11Å; F16-K24 HydrophobicContact CD1-CG 4.32Å; F16-K24 HydrophobicContact CG-CB 4.42Å; F16-L27 HydrophobicContact CE1-CB 4.49Å; F16-L27 HydrophobicContact CE1-CD1 4.48Å; F16-L28 HydrophobicContact CE2-CD1 4.43Å; F16-I59 HydrophobicContact CD2-CG2 4.01Å; F16-I59 HydrophobicContact CE2-CG2 3.81Å; F16-W60 PolarHBondContact N-O 3.5Å; F16-T62 WeakPolarHBondContact O-CG2 3.24Å; F16-T62 PolarHBondContact O-OG1 3.25Å; F16-I83 WeakPolarHBondContact CA-O 3.23Å; F16-I83 HydrophobicContact CD1-CB 4.06Å; F16-I83 HydrophobicContact CD1-CG2 3.99Å; F16-I83 HydrophobicContact CE1-CB 4.09Å; F16-I83 HydrophobicContact CE1-CD1 3.9Å; F16-I83 HydrophobicContact CE1-CG2 3.78Å; F16-I83 HydrophobicContact CE2-CD1 3.97Å; F16-I83 HydrophobicContact CG-CB 4.47Å; F16-I83 HydrophobicContact CZ-CD1 3.54Å; F16-I83 HydrophobicContact CZ-CG2 4.48Å; F16-F221 AromaticContact CE2-CE1 3.8Å; F16-F221 HydrophobicContact CE2-CE1 3.8Å; F16-F221 AromaticContact CE2-CZ 3.77Å; F16-F221 HydrophobicContact CE2-CZ 3.77Å; F16-F221 AromaticContact CZ-CE1 3.76Å; F16-F221 HydrophobicContact CZ-CE1 3.76Å; F16-F221 HydrophobicContact CZ-CE2 4.25Å; F16-F221 AromaticContact CZ-CZ 3.36Å; F16-F221 HydrophobicContact CZ-CZ 3.36Å
17L96.7Very high90Very high2 Ų241.7 Ų41.71%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-136.8161.2170.8-65.2178.7000110.1V15 K24 T62 I82 I83 L84 T85 F101 T105V15-L17 HydrophobicContact CG1-CD2 4.28Å; V15-L17 HydrophobicContact CG1-CG 4.35Å; L17-K24 VanDerWaalsContact C-CD 3.49Å; L17-T62 HydrophobicContact CD2-CG2 4.27Å; L17-I82 HydrophobicContact CD1-CG2 3.87Å; L17-I82 HydrophobicContact CG-CG2 4.27Å; L17-I83 PolarHBondContact N-O 3.07Å; L17-L84 HydrophobicContact CB-CD2 3.82Å; L17-L84 HydrophobicContact CD1-CD2 4.07Å; L17-T85 PolarHBondContact O-N 2.86Å; L17-F101 HydrophobicContact CB-CB 4.49Å; L17-F101 HydrophobicContact CB-CD1 4.17Å; L17-T105 HydrophobicContact CD1-CG2 3.55Å
18G96.3Very high92Very high0 Ų035.6 Ų35.60%018%0.177CC..  trans137.3169-179.400000111.9K24 G64 F101G18-K24 PolarHBondContact O-NZ 3.46Å; G18-G64 VanDerWaalsContact O-CA 3.23Å; G18-G64 WeakPolarHBondContact O-CA 2.97Å; G18-F101 VanDerWaalsContact C-CE2 3.48Å; G18-F101 VanDerWaalsContact O-CZ 3.25Å; G18-F101 WeakPolarHBondContact O-CZ 3.34Å
19D95.2Very high93.4Very high39 Ų3930 Ų3021%0.20915%0.154CC..  trans-66169.6-171.7-164.823.6000113V22 K24 R100 F101D19-V22 HydrophobicContact CB-CG1 4.08Å; D19-V22 VanDerWaalsContact O-CG2 3.23Å; D19-V22 WeakPolarHBondContact O-CG2 3.41Å; D19-K24 PolarHBondContact O-NZ 2.99Å; D19-R100 IonicContact OD1-NH1 2.71Å; D19-F101 HydrophobicContact CB-CE2 4.22Å
20M92.9Very high94.3Very high68 Ų6822.6 Ų22.634%0.33512%0.121SC..THydrogen-bonded Turntrans-60.5147174.1-171.9170.957.700110.7V22 R65M20-V22 PolarHBondContact O-N 3.5Å; M20-R65 HydrophobicContact CB-CG 4.43Å; M20-R65 HydrophobicContact CE-CG 4.49Å; M20-R65 HydrophobicContact CG-CG 4.26Å; M20-R65 HydrophobicContact SD-CG 3.43Å; M20-R65 WeakPolarHBondContact SD-CG 3.34Å; M20-R65 PolarHBondContact SD-NE 2.66Å
21N93.1Very high94.9Very high112 Ų11220.9 Ų20.960%0.59911%0.11SC*.THydrogen-bonded Turntrans63.95.8174.9-54.8-23.1000117.1G23 K120N21-G23 PolarHBondContact O-N 2.97Å; N21-K120 WeakPolarHBondContact O-CE 3.33Å; N21-K120 PolarHBondContact O-NZ 2.97Å
22V96.3Very high95.1Very high2 Ų221.4 Ų21.41%0.01211%0.111CC..SBendtrans-69.5-16.3170.2-550000112.7D19 M20 K24 T85 D87 N119D19-V22 HydrophobicContact CB-CG1 4.08Å; D19-V22 VanDerWaalsContact O-CG2 3.23Å; D19-V22 WeakPolarHBondContact O-CG2 3.41Å; M20-V22 PolarHBondContact O-N 3.5Å; V22-K24 HydrophobicContact CG2-CD 4.35Å; V22-K24 HydrophobicContact CG2-CG 3.76Å; V22-T85 HydrophobicContact CB-CG2 4.4Å; V22-T85 HydrophobicContact CG2-CG2 3.91Å; V22-T85 WeakPolarHBondContact CG2-O 3.46Å; V22-D87 HydrophobicContact CG1-CB 4.42Å; V22-N119 WeakPolarHBondContact O-CB 3.4Å; V22-N119 PolarHBondContact O-ND2 2.96Å
23G95.3Very high95.1Very high12 Ų1224.6 Ų24.612%0.12413%0.126CC..  trans96.726.4171.600000116.3N21 T25 S26 L27N21-G23 PolarHBondContact O-N 2.97Å; G23-T25 PolarHBondContact O-N 3.2Å; G23-S26 PolarHBondContact O-N 3.3Å; G23-L27 WeakPolarHBondContact O-CB 3.39Å; G23-L27 WeakPolarHBondContact O-CG 2.96Å; G23-L27 PolarHBondContact O-N 2.83Å
24K95.8Very high95Very high8 Ų827.9 Ų27.94%0.03514%0.137CC..Hα-helixtrans-51.4-54.3174.2-59.4-178.7-60.2-74.50112.7F16 L17 G18 D19 V22 S26 L27 L28 D61 T62 T85F16-K24 HydrophobicContact CB-CB 4.19Å; F16-K24 HydrophobicContact CB-CD 4.14Å; F16-K24 HydrophobicContact CB-CG 4.35Å; F16-K24 HydrophobicContact CD1-CB 4.11Å; F16-K24 HydrophobicContact CD1-CG 4.32Å; F16-K24 HydrophobicContact CG-CB 4.42Å; L17-K24 VanDerWaalsContact C-CD 3.49Å; G18-K24 PolarHBondContact O-NZ 3.46Å; D19-K24 PolarHBondContact O-NZ 2.99Å; V22-K24 HydrophobicContact CG2-CD 4.35Å; V22-K24 HydrophobicContact CG2-CG 3.76Å; K24-S26 PolarHBondContact O-N 3.32Å; K24-L27 PolarHBondContact O-N 3.5Å; K24-L28 PolarHBondContact O-N 3.37Å; K24-D61 WeakPolarHBondContact CB-OD1 3.3Å; K24-T62 WeakPolarHBondContact CE-O 3.41Å; K24-T85 HydrophobicContact CG-CG2 4.37Å
25T95.3Very high94.6Very high22 Ų2232.9 Ų32.914%0.13516%0.159CC..Hα-helixtrans-60.7-46.1178.9-44.40000111G23 L27 L28 H29 T39 T42 D61G23-T25 PolarHBondContact O-N 3.2Å; T25-L27 PolarHBondContact O-N 3.33Å; T25-L28 PolarHBondContact O-N 2.65Å; T25-H29 PolarHBondContact O-CD2 3.04Å; T25-H29 PolarHBondContact O-N 3.43Å; T25-T39 HydrophobicContact CG2-CG2 3.99Å; T25-T42 PolarHBondContact OG1-OG1 3.33Å; T25-D61 WeakPolarHBondContact CB-OD2 3.16Å; T25-D61 WeakPolarHBondContact CG2-OD2 3.23Å; T25-D61 PolarHBondContact N-OD1 3.26Å; T25-D61 PolarHBondContact OG1-OD1 2.89Å; T25-D61 PolarHBondContact OG1-OD2 3.22Å
26S96.1Very high94.3Very high12 Ų1237.1 Ų37.18%0.08418%0.177CC..Hα-helixtrans-63.6-39.5179-44.50000112.6G23 K24 L28 R30 T39G23-S26 PolarHBondContact O-N 3.3Å; K24-S26 PolarHBondContact O-N 3.32Å; S26-L28 VanDerWaalsContact C-N 3.35Å; S26-R30 VanDerWaalsContact O-CB 3.27Å; S26-R30 WeakPolarHBondContact O-CB 3.26Å; S26-R30 PolarHBondContact O-N 3.49Å; S26-T39 PolarHBondContact OG-OG1 2.77Å
27L96.3Very high93.8Very high0 Ų042.4 Ų42.40%020%0.2CC..Hα-helixtrans-61.1-45.1173.9-81.7171.8000111.3F16 G23 K24 T25 R30 Y31 T85 V117 N119 A211 V217F16-L27 HydrophobicContact CE1-CB 4.49Å; F16-L27 HydrophobicContact CE1-CD1 4.48Å; G23-L27 WeakPolarHBondContact O-CB 3.39Å; G23-L27 WeakPolarHBondContact O-CG 2.96Å; G23-L27 PolarHBondContact O-N 2.83Å; K24-L27 PolarHBondContact O-N 3.5Å; T25-L27 PolarHBondContact O-N 3.33Å; L27-R30 PolarHBondContact O-N 2.98Å; L27-Y31 PolarHBondContact O-N 3.23Å; L27-T85 HydrophobicContact CD1-CG2 3.87Å; L27-V117 HydrophobicContact CD1-CG1 3.96Å; L27-N119 HydrophobicContact CD1-CB 4.06Å; L27-A211 HydrophobicContact CD2-CB 3.91Å; L27-A211 HydrophobicContact CG-CB 4.04Å; L27-V217 HydrophobicContact CD2-CG2 3.79Å
28L95.3Very high93.1Very high1 Ų150.1 Ų50.11%0.00524%0.241CC..Hα-helixtrans-65.4-45.9179.3-175.354.6000112F16 K24 T25 S26 R30 Y31 M32 F48 I59 D61 F221F16-L28 HydrophobicContact CE2-CD1 4.43Å; K24-L28 PolarHBondContact O-N 3.37Å; T25-L28 PolarHBondContact O-N 2.65Å; S26-L28 VanDerWaalsContact C-N 3.35Å; L28-R30 VanDerWaalsContact C-N 3.32Å; L28-R30 PolarHBondContact O-N 3.27Å; L28-Y31 PolarHBondContact O-N 2.88Å; L28-M32 HydrophobicContact CD1-CE 3.69Å; L28-M32 HydrophobicContact CD1-CG 3.95Å; L28-M32 HydrophobicContact CG-CG 4.41Å; L28-M32 WeakPolarHBondContact O-CB 3.3Å; L28-M32 VanDerWaalsContact O-CG 3.29Å; L28-M32 WeakPolarHBondContact O-CG 3.18Å; L28-M32 PolarHBondContact O-N 3.38Å; L28-F48 HydrophobicContact CD2-CB 4.46Å; L28-F48 HydrophobicContact CD2-CD2 3.26Å; L28-F48 HydrophobicContact CD2-CE2 3.45Å; L28-F48 VanDerWaalsContact CD2-CE2 3.45Å; L28-F48 HydrophobicContact CD2-CG 3.86Å; L28-F48 HydrophobicContact CD2-CZ 4.18Å; L28-F48 HydrophobicContact CG-CD2 4.2Å; L28-F48 HydrophobicContact CG-CE2 4.32Å; L28-F48 HydrophobicContact CG-CG 4.39Å; L28-I59 HydrophobicContact CD1-CB 4.39Å; L28-I59 HydrophobicContact CD1-CD1 4.4Å; L28-I59 HydrophobicContact CD1-CG2 3.62Å; L28-I59 HydrophobicContact CD2-CG2 3.92Å; L28-I59 HydrophobicContact CG-CG2 4.45Å; L28-D61 HydrophobicContact CD2-CB 3.9Å; L28-F221 HydrophobicContact CD1-CE1 4.16Å; L28-F221 HydrophobicContact CD1-CZ 4Å
29H94.2Very high92.4Very high50 Ų5053 Ų5323%0.23126%0.259CS..Hα-helixtrans-62.9-38174.3-79.5-77.8000112.1T25 Y31 M32 E33T25-H29 PolarHBondContact O-CD2 3.04Å; T25-H29 PolarHBondContact O-N 3.43Å; H29-Y31 VanDerWaalsContact C-N 3.33Å; H29-Y31 PolarHBondContact O-N 3.13Å; H29-M32 PolarHBondContact O-N 3.11Å; H29-E33 IonicContact CE1-OE1 2.9Å; H29-E33 PolarHBondContact CE1-OE1 3.01Å; H29-E33 IonicContact ND1-OE1 2.9Å; H29-E33 PolarHBondContact ND1-OE1 3.28Å; H29-E33 WeakPolarHBondContact O-CA 3.39Å; H29-E33 WeakPolarHBondContact O-CB 3.11Å; H29-E33 PolarHBondContact O-N 2.92Å
30R95.3Very high91.8Very high20 Ų2058.5 Ų58.58%0.07529%0.287CS..Hα-helixtrans-60.4-44.3175.3173.755.473.81782.8111.1S26 L27 L28 R34 F36 D133 A211 K212 V217S26-R30 VanDerWaalsContact O-CB 3.27Å; S26-R30 WeakPolarHBondContact O-CB 3.26Å; S26-R30 PolarHBondContact O-N 3.49Å; L27-R30 PolarHBondContact O-N 2.98Å; L28-R30 VanDerWaalsContact C-N 3.32Å; L28-R30 PolarHBondContact O-N 3.27Å; R30-R34 PolarHBondContact NH1-O 3.38Å; R30-R34 VanDerWaalsContact O-CA 3.25Å; R30-R34 WeakPolarHBondContact O-CA 3.22Å; R30-R34 PolarHBondContact O-N 3.47Å; R30-R34 VanDerWaalsContact O-N 3.09Å; R30-F36 VanDerWaalsContact NH2-CB 3.29Å; R30-D133 IonicContact CZ-OD2 3.96Å; R30-D133 IonicContact NH1-OD2 2.73Å; R30-D133 PolarHBondContact NH1-OD2 2.67Å; R30-A211 WeakPolarHBondContact CG-O 3.49Å; R30-A211 PolarHBondContact NE-O 3.32Å; R30-K212 PolarHBondContact NH2-O 2.92Å; R30-V217 HydrophobicContact CB-CG1 4.47Å; R30-V217 HydrophobicContact CG-CB 4.27Å; R30-V217 HydrophobicContact CG-CG1 4.06Å; R30-V217 HydrophobicContact CG-CG2 4Å
31Y95.4Very high91.4Very high4 Ų457.4 Ų57.42%0.01629%0.286CS..Hα-helixtrans-69.6-38.6177.5-178.8-110000113.3L27 L28 H29 K50 V217 D218 F221 F225L27-Y31 PolarHBondContact O-N 3.23Å; L28-Y31 PolarHBondContact O-N 2.88Å; H29-Y31 VanDerWaalsContact C-N 3.33Å; H29-Y31 PolarHBondContact O-N 3.13Å; Y31-K50 HydrophobicContact CE1-CD 4.42Å; Y31-K50 HydrophobicContact CE1-CG 4.34Å; Y31-V217 HydrophobicContact CD2-CG1 4.48Å; Y31-D218 WeakPolarHBondContact CD2-OD1 3.45Å; Y31-F221 HydrophobicContact CD1-CB 4.14Å; Y31-F221 AromaticContact CD1-CD1 3.82Å; Y31-F221 HydrophobicContact CD1-CD1 3.82Å; Y31-F221 AromaticContact CD1-CD2 3.81Å; Y31-F221 HydrophobicContact CD1-CD2 3.81Å; Y31-F221 HydrophobicContact CD1-CE1 4.05Å; Y31-F221 HydrophobicContact CD1-CE2 4.07Å; Y31-F221 AromaticContact CD1-CG 3.67Å; Y31-F221 HydrophobicContact CD1-CG 3.67Å; Y31-F221 HydrophobicContact CD1-CZ 4.14Å; Y31-F221 HydrophobicContact CD2-CB 3.77Å; Y31-F221 AromaticContact CD2-CD2 3.53Å; Y31-F221 HydrophobicContact CD2-CD2 3.53Å; Y31-F221 HydrophobicContact CD2-CE2 4.27Å; Y31-F221 AromaticContact CD2-CG 3.79Å; Y31-F221 HydrophobicContact CD2-CG 3.79Å; Y31-F221 HydrophobicContact CE1-CB 3.9Å; Y31-F221 HydrophobicContact CE1-CD1 4.02Å; Y31-F221 HydrophobicContact CE1-CD2 4.44Å; Y31-F221 AromaticContact CE1-CG 3.89Å; Y31-F221 HydrophobicContact CE1-CG 3.89Å; Y31-F221 HydrophobicContact CE2-CB 3.49Å; Y31-F221 VanDerWaalsContact CE2-CB 3.49Å; Y31-F221 HydrophobicContact CE2-CD2 4.19Å; Y31-F221 AromaticContact CE2-CG 3.99Å; Y31-F221 HydrophobicContact CE2-CG 3.99Å; Y31-F221 HydrophobicContact CG-CB 4.09Å; Y31-F221 HydrophobicContact CG-CD1 4.21Å; Y31-F221 AromaticContact CG-CD2 3.32Å; Y31-F221 HydrophobicContact CG-CD2 3.32Å; Y31-F221 HydrophobicContact CG-CE1 4.44Å; Y31-F221 AromaticContact CG-CE2 3.64Å; Y31-F221 HydrophobicContact CG-CE2 3.64Å; Y31-F221 AromaticContact CG-CG 3.63Å; Y31-F221 HydrophobicContact CG-CG 3.63Å; Y31-F221 HydrophobicContact CG-CZ 4.15Å; Y31-F225 AromaticContact CE1-CE2 3.8Å; Y31-F225 HydrophobicContact CE1-CE2 3.8Å; Y31-F225 HydrophobicContact CE1-CZ 4.05Å; Y31-F225 AromaticContact CZ-CE2 3.81Å; Y31-F225 VanDerWaalsContact OH-CE2 3.27Å; Y31-F225 WeakPolarHBondContact OH-CE2 3.31Å
32M92.4Very high90.9Very high49 Ų4953.3 Ų53.324%0.24127%0.265CS..Hα-helixtrans-82.7-41.9-175.1-66.6-56.3167.200113.9L28 H29 K50 I59L28-M32 HydrophobicContact CD1-CE 3.69Å; L28-M32 HydrophobicContact CD1-CG 3.95Å; L28-M32 HydrophobicContact CG-CG 4.41Å; L28-M32 WeakPolarHBondContact O-CB 3.3Å; L28-M32 VanDerWaalsContact O-CG 3.29Å; L28-M32 WeakPolarHBondContact O-CG 3.18Å; L28-M32 PolarHBondContact O-N 3.38Å; H29-M32 PolarHBondContact O-N 3.11Å; M32-K50 HydrophobicContact CE-CB 3.85Å; M32-K50 HydrophobicContact CE-CD 4.32Å; M32-K50 HydrophobicContact CE-CG 4.2Å; M32-K50 HydrophobicContact SD-CB 4.37Å; M32-K50 HydrophobicContact SD-CD 3.94Å; M32-K50 HydrophobicContact SD-CG 4.47Å; M32-I59 HydrophobicContact CE-CD1 3.18Å
33E91.8Very high90.2Very high75 Ų7558.4 Ų58.435%0.3530%0.296SS..Hα-helixtrans-110.7-6.6-170.5-66.2177.5-145.700113.4H29 K35 K37H29-E33 IonicContact CE1-OE1 2.9Å; H29-E33 PolarHBondContact CE1-OE1 3.01Å; H29-E33 IonicContact ND1-OE1 2.9Å; H29-E33 PolarHBondContact ND1-OE1 3.28Å; H29-E33 WeakPolarHBondContact O-CA 3.39Å; H29-E33 WeakPolarHBondContact O-CB 3.11Å; H29-E33 PolarHBondContact O-N 2.92Å; E33-K35 HydrophobicContact CB-CB 4.24Å; E33-K35 WeakPolarHBondContact O-CG 3.46Å; E33-K35 PolarHBondContact O-N 2.88Å; E33-K37 IonicContact OE2-NZ 3.45Å; E33-K37 PolarHBondContact OE2-NZ 3.36Å
34R91.3Very high89.5Confident107 Ų10758.3 Ų58.340%0.40430%0.295SS..SBendtrans5627.2-171.3-55.1-63.7-179.3-175.1-6.8113.2R30 D218R30-R34 PolarHBondContact NH1-O 3.38Å; R30-R34 VanDerWaalsContact O-CA 3.25Å; R30-R34 WeakPolarHBondContact O-CA 3.22Å; R30-R34 PolarHBondContact O-N 3.47Å; R30-R34 VanDerWaalsContact O-N 3.09Å; R34-D218 IonicContact CZ-OD1 2.94Å; R34-D218 IonicContact CZ-OD2 2.65Å; R34-D218 IonicContact NH1-OD1 3.24Å; R34-D218 PolarHBondContact NH1-OD1 3.25Å; R34-D218 IonicContact NH1-OD2 3.2Å; R34-D218 PolarHBondContact NH1-OD2 2.97Å; R34-D218 IonicContact NH2-OD1 2.66Å; R34-D218 PolarHBondContact NH2-OD1 2.72Å; R34-D218 IonicContact NH2-OD2 2.73Å; R34-D218 PolarHBondContact NH2-OD2 3.18Å
35K88.6Confident89Confident107 Ų10759.4 Ų59.447%0.46531%0.308SS..  trans-126.5143.4-176.3-72.1174.6-174.2-177.30110.7E33E33-K35 HydrophobicContact CB-CB 4.24Å; E33-K35 WeakPolarHBondContact O-CG 3.46Å; E33-K35 PolarHBondContact O-N 2.88Å
36F89.4Confident88.7Confident90 Ų9060 Ų6040%0.39532%0.315SS..  trans-109.5119.1164.9-177.1-102.7000108.2R30 A211 K212R30-F36 VanDerWaalsContact NH2-CB 3.29Å; F36-A211 HydrophobicContact CD2-CB 4.16Å; F36-A211 WeakPolarHBondContact CD2-O 3.29Å; F36-A211 HydrophobicContact CE2-CB 4.18Å; F36-K212 HydrophobicContact CD1-CB 4.44Å; F36-K212 HydrophobicContact CD1-CG 4.05Å; F36-K212 HydrophobicContact CD2-CB 4.34Å; F36-K212 HydrophobicContact CE1-CB 4.35Å; F36-K212 HydrophobicContact CE1-CG 4.02Å; F36-K212 HydrophobicContact CE2-CB 4.24Å; F36-K212 HydrophobicContact CG-CB 4.43Å; F36-K212 HydrophobicContact CG-CG 4.44Å; F36-K212 HydrophobicContact CZ-CB 4.25Å; F36-K212 HydrophobicContact CZ-CG 4.39Å
37K86.7Confident88.5Confident111 Ų11163.7 Ų63.748%0.48333%0.33SS..  trans-128.8154.5179.2-63.9171.7-175156.10108.2E33 T39E33-K37 IonicContact OE2-NZ 3.45Å; E33-K37 PolarHBondContact OE2-NZ 3.36Å; K37-T39 PolarHBondContact O-N 2.99Å
38D82Confident88.3Confident163 Ų16366.1 Ų66.187%0.87234%0.341SS*.  trans-61.4114.2168.4-66.9-38.4000109.2
39T81.9Confident88.2Confident61 Ų6169.6 Ų69.637%0.37436%0.359SS..PPolyproline II helixtrans-92.9131179.353.50000109.4T25 S26 K37T25-T39 HydrophobicContact CG2-CG2 3.99Å; S26-T39 PolarHBondContact OG-OG1 2.77Å; K37-T39 PolarHBondContact O-N 2.99Å
40I82.9Confident88.1Confident155 Ų15570 Ų7080%0.79536%0.36SS*.PPolyproline II helixtrans-69.5155.3163.460171.5000109.9T42I40-T42 PolarHBondContact O-N 2.89Å
41S83.6Confident87.9Confident44 Ų4475.3 Ų75.331%0.30839%0.386SS..PPolyproline II helixtrans-59.2126.5177.3-61.10000111.4V43 R65S41-V43 PolarHBondContact O-N 2.97Å; S41-R65 PolarHBondContact OG-NH2 2.79Å
42T82.3Confident87.7Confident26 Ų2678 Ų7816%0.1640%0.396CS..PPolyproline II helixtrans-59.3132.8173.1-55.80000110.9T25 I40 D61 A63T25-T42 PolarHBondContact OG1-OG1 3.33Å; I40-T42 PolarHBondContact O-N 2.89Å; T42-D61 PolarHBondContact OG1-OD2 2.88Å; T42-A63 WeakPolarHBondContact O-CB 3.18Å
43V82.1Confident87.5Confident110 Ų11078.2 Ų78.267%0.66741%0.411SS*.  trans-106.1118.9175.4178.40000107.9S41 G45 F68S41-V43 PolarHBondContact O-N 2.97Å; V43-G45 PolarHBondContact O-N 3.4Å; V43-G45 VanDerWaalsContact O-N 3.13Å; V43-F68 HydrophobicContact CG1-CE1 4.24Å; V43-F68 HydrophobicContact CG1-CE2 4.4Å; V43-F68 HydrophobicContact CG1-CZ 3.74Å
44G80.8Confident87.4Confident10 Ų1079.3 Ų79.310%0.10343%0.425CS..SBendtrans68.5-104.3-175.200000112.4A63 Y75G44-A63 WeakPolarHBondContact O-CB 3.32Å; G44-A63 PolarHBondContact O-N 3.12Å; G44-Y75 VanDerWaalsContact C-OH 3.3Å
45G84.8Confident87.3Confident30 Ų3077.3 Ų77.331%0.30942%0.417SS..EExtended strand (participates in β ladder)trans-159.7150.7177.700000113.2V43 D61 Y75V43-G45 PolarHBondContact O-N 3.4Å; V43-G45 VanDerWaalsContact O-N 3.13Å; G45-D61 CarbonylContact C-O 3.59Å; G45-D61 WeakPolarHBondContact CA-O 3.1Å; G45-Y75 PolarHBondContact N-OH 3Å; G45-Y75 VanDerWaalsContact N-OH 3.13Å
46A89.4Confident87.4Confident34 Ų3473.9 Ų73.928%0.28140%0.404SS..EExtended strand (participates in β ladder)trans-114.7145.1178.400000110.7F48 W60 D61A46-F48 HydrophobicContact CB-CE2 3.76Å; A46-W60 WeakPolarHBondContact O-CA 3.33Å; A46-D61 HydrophobicContact CB-CB 4.33Å; A46-D61 PolarHBondContact N-O 3.13Å; A46-D61 PolarHBondContact O-N 3.5Å
47F91.1Very high87.6Confident91 Ų9169.6 Ų69.640%0.39939%0.385SS..EExtended strand (participates in β ladder)trans-112.4131.8-176.5172.1-91.9000110.7L49 S58 W60F47-L49 HydrophobicContact CE1-CB 4.11Å; F47-L49 HydrophobicContact CZ-CB 4.34Å; F47-L49 HydrophobicContact CZ-CD1 4.16Å; F47-S58 VanDerWaalsContact CE2-CB 3.42Å; F47-W60 HydrophobicContact CB-CZ3 4.47Å; F47-W60 HydrophobicContact CD2-CD2 4.24Å; F47-W60 AromaticContact CD2-CE2 3.64Å; F47-W60 HydrophobicContact CD2-CH2 4.12Å; F47-W60 AromaticContact CD2-CZ2 3.6Å; F47-W60 HydrophobicContact CD2-CZ2 3.6Å; F47-W60 AromaticContact CD2-NE1 3.9Å; F47-W60 HydrophobicContact CE2-CZ2 4.13Å
48F93.1Very high87.9Confident50 Ų5064.4 Ų64.422%0.21936%0.363CS..EExtended strand (participates in β ladder)trans-128145.9175.4-63.3-99.7000109.8L28 A46 S58 I59 D61L28-F48 HydrophobicContact CD2-CB 4.46Å; L28-F48 HydrophobicContact CD2-CD2 3.26Å; L28-F48 HydrophobicContact CD2-CE2 3.45Å; L28-F48 VanDerWaalsContact CD2-CE2 3.45Å; L28-F48 HydrophobicContact CD2-CG 3.86Å; L28-F48 HydrophobicContact CD2-CZ 4.18Å; L28-F48 HydrophobicContact CG-CD2 4.2Å; L28-F48 HydrophobicContact CG-CE2 4.32Å; L28-F48 HydrophobicContact CG-CG 4.39Å; A46-F48 HydrophobicContact CB-CE2 3.76Å; F48-S58 WeakPolarHBondContact O-CA 3.36Å; F48-I59 HydrophobicContact CB-CB 4.37Å; F48-I59 PolarHBondContact N-O 2.85Å; F48-I59 PolarHBondContact O-N 2.7Å; F48-D61 HydrophobicContact CE2-CB 4.42Å
49L93.1Very high88.6Confident74 Ų7456.6 Ų56.639%0.38732%0.322SS..EExtended strand (participates in β ladder)trans-119.9123.7176.6-167.466.8000109.2M7 P10 F47 N56M7-L49 HydrophobicContact CE-CD2 4.1Å; P10-L49 HydrophobicContact CB-CD1 4.28Å; F47-L49 HydrophobicContact CE1-CB 4.11Å; F47-L49 HydrophobicContact CZ-CB 4.34Å; F47-L49 HydrophobicContact CZ-CD1 4.16Å; L49-N56 HydrophobicContact CD1-CB 4.06Å
50K92.4Very high89.2Confident59 Ų5956.7 Ų56.726%0.25732%0.315SS..EExtended strand (participates in β ladder)trans-123.9132.2177.9-179.568.8172.4-146.60109.5Y31 M32 I57 I59 F225Y31-K50 HydrophobicContact CE1-CD 4.42Å; Y31-K50 HydrophobicContact CE1-CG 4.34Å; M32-K50 HydrophobicContact CE-CB 3.85Å; M32-K50 HydrophobicContact CE-CD 4.32Å; M32-K50 HydrophobicContact CE-CG 4.2Å; M32-K50 HydrophobicContact SD-CB 4.37Å; M32-K50 HydrophobicContact SD-CD 3.94Å; M32-K50 HydrophobicContact SD-CG 4.47Å; K50-I57 PolarHBondContact N-O 2.64Å; K50-I57 PolarHBondContact O-N 3.29Å; K50-I59 HydrophobicContact CB-CD1 3.98Å; K50-F225 HydrophobicContact CG-CE2 4.19Å
51Q91.7Very high89.8Confident131 Ų13149.4 Ų49.461%0.61228%0.278SS*.EExtended strand (participates in β ladder)trans-85131.8171.4-169.8178.1-17.100110G53 Y55Q51-G53 WeakPolarHBondContact CG-O 3.4Å; Q51-G53 PolarHBondContact NE2-O 3.06Å; Q51-Y55 WeakPolarHBondContact CA-O 3.44Å
52W91.3Very high90.2Very high60 Ų6047.6 Ų47.623%0.22727%0.265CS..EExtended strand (participates in β ladder)trans-128.5106.8172.1-172.4-109.6000108.8Y55 I57 E222 F225 D226W52-Y55 PolarHBondContact N-O 3.04Å; W52-Y55 PolarHBondContact O-N 3.2Å; W52-I57 HydrophobicContact CB-CD1 3.56Å; W52-I57 HydrophobicContact CB-CG1 4.18Å; W52-I57 HydrophobicContact CG-CD1 4.21Å; W52-E222 HydrophobicContact CH2-CB 3.98Å; W52-E222 HydrophobicContact CH2-CG 3.64Å; W52-E222 HydrophobicContact CZ2-CB 4.41Å; W52-E222 HydrophobicContact CZ3-CG 3.97Å; W52-F225 HydrophobicContact CB-CD2 4.3Å; W52-F225 HydrophobicContact CD2-CB 3.94Å; W52-F225 AromaticContact CD2-CD2 3.9Å; W52-F225 HydrophobicContact CD2-CD2 3.9Å; W52-F225 HydrophobicContact CD2-CG 4.42Å; W52-F225 AromaticContact CE3-CD2 3.91Å; W52-F225 HydrophobicContact CE3-CD2 3.91Å; W52-F225 HydrophobicContact CG-CB 3.81Å; W52-F225 HydrophobicContact CG-CD2 4.09Å; W52-F225 HydrophobicContact CG-CG 4.33Å; W52-D226 VanDerWaalsContact CE2-OD1 3.31Å; W52-D226 VanDerWaalsContact CZ2-OD1 3.23Å; W52-D226 WeakPolarHBondContact CZ2-OD1 3.23Å; W52-D226 PolarHBondContact NE1-OD1 2.84Å
53G88.4Confident90.5Very high55 Ų5546.8 Ų46.857%0.56726%0.261SS*.THydrogen-bonded Turntrans56.4-127.4-168.800000111.7Q51 Y55Q51-G53 WeakPolarHBondContact CG-O 3.4Å; Q51-G53 PolarHBondContact NE2-O 3.06Å; G53-Y55 VanDerWaalsContact C-N 3.29Å; G53-Y55 PolarHBondContact O-N 3.07Å
54P87.6Confident90.2Very high98 Ų9841.8 Ų41.864%0.63623%0.232SC*.THydrogen-bonded Turntrans-84.12.1177.335.4-34.8000113.9
55Y89.3Confident90.3Very high64 Ų6445.7 Ų45.725%0.25124%0.243SC..EExtended strand (participates in β ladder)trans-107.8148.2-171-55.8-70.3000113D11 Q51 W52 G53 V229 L233D11-Y55 HydrophobicContact CB-CD1 4.14Å; Q51-Y55 WeakPolarHBondContact CA-O 3.44Å; W52-Y55 PolarHBondContact N-O 3.04Å; W52-Y55 PolarHBondContact O-N 3.2Å; G53-Y55 VanDerWaalsContact C-N 3.29Å; G53-Y55 PolarHBondContact O-N 3.07Å; Y55-V229 HydrophobicContact CD2-CG1 3.22Å; Y55-V229 HydrophobicContact CE2-CG1 3.43Å; Y55-V229 VanDerWaalsContact CE2-CG1 3.43Å; Y55-V229 HydrophobicContact CG-CG1 3.85Å; Y55-L233 HydrophobicContact CD1-CD2 4.35Å; Y55-L233 HydrophobicContact CE1-CD1 3.93Å; Y55-L233 HydrophobicContact CE1-CD2 3.46Å; Y55-L233 VanDerWaalsContact CE1-CD2 3.46Å; Y55-L233 HydrophobicContact CE1-CG 4.19Å; Y55-L233 HydrophobicContact CE2-CD1 3.73Å; Y55-L233 WeakPolarHBondContact OH-CD1 3.33Å
56N91.1Very high89.7Confident35 Ų3551 Ų5119%0.18726%0.26CS..EExtended strand (participates in β ladder)trans-101.8119.9173-65.5-67.1000110.5P10 D11 V12 L49P10-N56 CarbonylContact C-O 3.56Å; D11-N56 PolarHBondContact N-O 3.5Å; D11-N56 PolarHBondContact OD2-N 3.02Å; V12-N56 PolarHBondContact N-O 3.26Å; L49-N56 HydrophobicContact CD1-CB 4.06Å
57I93.4Very high89.1Confident0 Ų056.9 Ų56.90%028%0.282CS..EExtended strand (participates in β ladder)trans-102.8118.4178.1-51.8-175.1000108.4V12 K50 W52 I59 F225 V229V12-I57 HydrophobicContact CB-CG1 4.26Å; V12-I57 HydrophobicContact CB-CG2 4.27Å; V12-I57 HydrophobicContact CG1-CG2 4.31Å; K50-I57 PolarHBondContact N-O 2.64Å; K50-I57 PolarHBondContact O-N 3.29Å; W52-I57 HydrophobicContact CB-CD1 3.56Å; W52-I57 HydrophobicContact CB-CG1 4.18Å; W52-I57 HydrophobicContact CG-CD1 4.21Å; I57-I59 HydrophobicContact CG2-CG1 4.05Å; I57-F225 HydrophobicContact CD1-CB 3.73Å; I57-F225 HydrophobicContact CD1-CD1 3.31Å; I57-F225 HydrophobicContact CD1-CD2 3.77Å; I57-F225 HydrophobicContact CD1-CE1 3.79Å; I57-F225 HydrophobicContact CD1-CE2 4.17Å; I57-F225 HydrophobicContact CD1-CG 3.31Å; I57-F225 HydrophobicContact CD1-CZ 4.2Å; I57-F225 HydrophobicContact CG2-CD1 4.24Å; I57-F225 HydrophobicContact CG2-CE1 3.84Å; I57-F225 HydrophobicContact CG2-CZ 4.41Å; I57-V229 HydrophobicContact CD1-CG2 4.04Å
58S94.6Very high88.4Confident2 Ų255 Ų551%0.01427%0.274CS..EExtended strand (participates in β ladder)trans-84.9129.6168.256.10000110.3V12 K13 L14 F47 F48V12-S58 PolarHBondContact O-N 3.01Å; V12-S58 PolarHBondContact O-OG 3.25Å; K13-S58 WeakPolarHBondContact CA-O 3.08Å; K13-S58 WeakPolarHBondContact CA-OG 3.47Å; L14-S58 PolarHBondContact N-O 3.45Å; F47-S58 VanDerWaalsContact CE2-CB 3.42Å; F48-S58 WeakPolarHBondContact O-CA 3.36Å
59I95.9Very high87.7Confident0 Ų055.6 Ų55.60%028%0.277CS..EExtended strand (participates in β ladder)trans-121.1125.4-179.8-59.4156000107.8L14 F16 L28 M32 F48 K50 I57 F221 F225L14-I59 HydrophobicContact CB-CG1 4.27Å; L14-I59 HydrophobicContact CD2-CG1 4.45Å; L14-I59 HydrophobicContact CD2-CG2 3.83Å; L14-I59 CarbonylContact O-C 3.52Å; L14-I59 WeakPolarHBondContact O-CA 3.48Å; F16-I59 HydrophobicContact CD2-CG2 4.01Å; F16-I59 HydrophobicContact CE2-CG2 3.81Å; L28-I59 HydrophobicContact CD1-CB 4.39Å; L28-I59 HydrophobicContact CD1-CD1 4.4Å; L28-I59 HydrophobicContact CD1-CG2 3.62Å; L28-I59 HydrophobicContact CD2-CG2 3.92Å; L28-I59 HydrophobicContact CG-CG2 4.45Å; M32-I59 HydrophobicContact CE-CD1 3.18Å; F48-I59 HydrophobicContact CB-CB 4.37Å; F48-I59 PolarHBondContact N-O 2.85Å; F48-I59 PolarHBondContact O-N 2.7Å; K50-I59 HydrophobicContact CB-CD1 3.98Å; I57-I59 HydrophobicContact CG2-CG1 4.05Å; I59-F221 HydrophobicContact CD1-CE1 4.48Å; I59-F225 HydrophobicContact CD1-CE1 4.34Å; I59-F225 HydrophobicContact CD1-CZ 3.82Å
60W95.4Very high87.1Confident63 Ų6355.5 Ų55.524%0.23929%0.293CS..EExtended strand (participates in β ladder)trans-109.1117-177.4-66.676.9000109.7L14 V15 F16 A46 F47 Y75L14-W60 PolarHBondContact O-N 3.06Å; V15-W60 HydrophobicContact CB-CB 4.44Å; V15-W60 HydrophobicContact CG1-CB 4.26Å; V15-W60 HydrophobicContact CG2-CB 4.14Å; V15-W60 HydrophobicContact CG2-CG 4.43Å; F16-W60 PolarHBondContact N-O 3.5Å; A46-W60 WeakPolarHBondContact O-CA 3.33Å; F47-W60 HydrophobicContact CB-CZ3 4.47Å; F47-W60 HydrophobicContact CD2-CD2 4.24Å; F47-W60 AromaticContact CD2-CE2 3.64Å; F47-W60 HydrophobicContact CD2-CH2 4.12Å; F47-W60 AromaticContact CD2-CZ2 3.6Å; F47-W60 HydrophobicContact CD2-CZ2 3.6Å; F47-W60 AromaticContact CD2-NE1 3.9Å; F47-W60 HydrophobicContact CE2-CZ2 4.13Å; W60-Y75 HydrophobicContact CD2-CD1 4.49Å; W60-Y75 AromaticContact CE3-CD1 3.65Å; W60-Y75 HydrophobicContact CE3-CD1 3.65Å; W60-Y75 AromaticContact CE3-CE1 3.95Å; W60-Y75 HydrophobicContact CE3-CE1 3.95Å; W60-Y75 AromaticContact CZ3-CD1 3.96Å; W60-Y75 HydrophobicContact CZ3-CD1 3.96Å; W60-Y75 AromaticContact CZ3-CE1 3.95Å; W60-Y75 HydrophobicContact CZ3-CE1 3.95Å
61D94Very high86.8Confident2 Ų256 Ų561%0.01130%0.298CS..EExtended strand (participates in β ladder)trans-89125.5166.4178.841.2000108.6K24 T25 L28 T42 G45 A46 F48K24-D61 WeakPolarHBondContact CB-OD1 3.3Å; T25-D61 WeakPolarHBondContact CB-OD2 3.16Å; T25-D61 WeakPolarHBondContact CG2-OD2 3.23Å; T25-D61 PolarHBondContact N-OD1 3.26Å; T25-D61 PolarHBondContact OG1-OD1 2.89Å; T25-D61 PolarHBondContact OG1-OD2 3.22Å; L28-D61 HydrophobicContact CD2-CB 3.9Å; T42-D61 PolarHBondContact OG1-OD2 2.88Å; G45-D61 CarbonylContact C-O 3.59Å; G45-D61 WeakPolarHBondContact CA-O 3.1Å; A46-D61 HydrophobicContact CB-CB 4.33Å; A46-D61 PolarHBondContact N-O 3.13Å; A46-D61 PolarHBondContact O-N 3.5Å; F48-D61 HydrophobicContact CE2-CB 4.42Å
62T92.3Very high86.5Confident5 Ų550 Ų503%0.03127%0.272CS..EExtended strand (participates in β ladder)trans-112.2150.3-179.175.10000111.4V15 F16 L17 K24 G64 Y75V15-T62 HydrophobicContact CG1-CG2 3.89Å; F16-T62 WeakPolarHBondContact O-CG2 3.24Å; F16-T62 PolarHBondContact O-OG1 3.25Å; L17-T62 HydrophobicContact CD2-CG2 4.27Å; K24-T62 WeakPolarHBondContact CE-O 3.41Å; T62-G64 PolarHBondContact O-N 3.36Å; T62-Y75 HydrophobicContact CG2-CD2 3.79Å; T62-Y75 HydrophobicContact CG2-CG 3.84Å
63A88.1Confident86.4Confident10 Ų1049.1 Ų49.18%0.08328%0.275CS..  trans-62.1134.316900000110.4T42 G44 R65 F68T42-A63 WeakPolarHBondContact O-CB 3.18Å; G44-A63 WeakPolarHBondContact O-CB 3.32Å; G44-A63 PolarHBondContact O-N 3.12Å; A63-R65 VanDerWaalsContact C-N 3.34Å; A63-F68 HydrophobicContact CB-CB 4.04Å; A63-F68 HydrophobicContact CB-CD2 3.53Å; A63-F68 HydrophobicContact CB-CE2 4.34Å; A63-F68 HydrophobicContact CB-CG 4.03Å
64G77.6Confident86.6Confident5 Ų552.9 Ų52.95%0.05228%0.279CS..  trans-86.4-3.5173.600000113.9G18 T62 R100G18-G64 VanDerWaalsContact O-CA 3.23Å; G18-G64 WeakPolarHBondContact O-CA 2.97Å; T62-G64 PolarHBondContact O-N 3.36Å; G64-R100 PolarHBondContact O-NH2 3.08Å
65R81.2Confident86.9Confident91 Ų9149.7 Ų49.734%0.34326%0.255SS..SBendtrans-75.3142.6-176.6-65.8-177.5178.9-162.5-0.3111.6M20 S41 A63 Q67 F68 R100M20-R65 HydrophobicContact CB-CG 4.43Å; M20-R65 HydrophobicContact CE-CG 4.49Å; M20-R65 HydrophobicContact CG-CG 4.26Å; M20-R65 HydrophobicContact SD-CG 3.43Å; M20-R65 WeakPolarHBondContact SD-CG 3.34Å; M20-R65 PolarHBondContact SD-NE 2.66Å; S41-R65 PolarHBondContact OG-NH2 2.79Å; A63-R65 VanDerWaalsContact C-N 3.34Å; R65-Q67 PolarHBondContact O-N 2.84Å; R65-F68 HydrophobicContact CB-CD2 4.05Å; R65-F68 HydrophobicContact CB-CE2 4.49Å; R65-F68 PolarHBondContact O-N 3.47Å; R65-R100 PolarHBondContact O-NH2 2.88Å
66E72.8Confident87.2Confident143 Ų14346.7 Ų46.767%0.66824%0.243SC*.G310 helixtrans-56.4-36.1178-68.4178173.100112.9F68 H69 R100E66-F68 PolarHBondContact O-N 2.82Å; E66-H69 WeakPolarHBondContact O-CB 3.27Å; E66-H69 PolarHBondContact O-N 3.19Å; E66-R100 VanDerWaalsContact CA-NH2 3.27Å; E66-R100 VanDerWaalsContact CG-NH1 3.32Å; E66-R100 VanDerWaalsContact N-NH2 3.11Å
67Q76.8Confident87.3Confident156 Ų15653.7 Ų53.773%0.72927%0.267SS*.G310 helixtrans-55.5-24.9177.9-64.7165.1-3.100113.3R65R65-Q67 PolarHBondContact O-N 2.84Å
68F77.3Confident87.2Confident53 Ų5355.2 Ų55.223%0.23228%0.283CS..G310 helixtrans-108.37178.8-57-66.3000113.3V43 A63 R65 E66 G70 L71V43-F68 HydrophobicContact CG1-CE1 4.24Å; V43-F68 HydrophobicContact CG1-CE2 4.4Å; V43-F68 HydrophobicContact CG1-CZ 3.74Å; A63-F68 HydrophobicContact CB-CB 4.04Å; A63-F68 HydrophobicContact CB-CD2 3.53Å; A63-F68 HydrophobicContact CB-CE2 4.34Å; A63-F68 HydrophobicContact CB-CG 4.03Å; R65-F68 HydrophobicContact CB-CD2 4.05Å; R65-F68 HydrophobicContact CB-CE2 4.49Å; R65-F68 PolarHBondContact O-N 3.47Å; E66-F68 PolarHBondContact O-N 2.82Å; F68-G70 VanDerWaalsContact C-N 3.27Å; F68-G70 PolarHBondContact O-N 2.7Å; F68-L71 HydrophobicContact CD1-CD1 4.23Å; F68-L71 WeakPolarHBondContact O-CB 3.42Å; F68-L71 PolarHBondContact O-N 2.8Å
69H77.9Confident87.2Confident62 Ų6255.1 Ų55.129%0.28728%0.282SS..G310 helixtrans-55.8-40.5-175.7179.671.8000112.7E66 L71 G72 R100 L104E66-H69 WeakPolarHBondContact O-CB 3.27Å; E66-H69 PolarHBondContact O-N 3.19Å; H69-L71 PolarHBondContact O-N 2.88Å; H69-L71 VanDerWaalsContact O-N 3.09Å; H69-G72 PolarHBondContact O-N 2.82Å; H69-R100 PolarHBondContact CE1-O 3.4Å; H69-R100 VanDerWaalsContact CE1-O 3.23Å; H69-L104 VanDerWaalsContact CE1-CD2 3.46Å; H69-L104 WeakPolarHBondContact CE1-CD2 3.37Å; H69-L104 WeakPolarHBondContact ND1-CD1 3.15Å
70G80.6Confident87Confident71 Ų7155.5 Ų55.573%0.73229%0.285SS*.G310 helixtrans-62.1-16.8177.200000115.1F68F68-G70 VanDerWaalsContact C-N 3.27Å; F68-G70 PolarHBondContact O-N 2.7Å
71L84.9Confident87Confident70 Ų7052.5 Ų52.537%0.36627%0.273SS..G310 helixtrans-87-13.8174.2-58.5178.9000112.6F68 H69 S73 M74 Y75F68-L71 HydrophobicContact CD1-CD1 4.23Å; F68-L71 WeakPolarHBondContact O-CB 3.42Å; F68-L71 PolarHBondContact O-N 2.8Å; H69-L71 PolarHBondContact O-N 2.88Å; H69-L71 VanDerWaalsContact O-N 3.09Å; L71-S73 PolarHBondContact O-N 2.96Å; L71-M74 VanDerWaalsContact O-CB 3.29Å; L71-M74 WeakPolarHBondContact O-CB 3.19Å; L71-M74 PolarHBondContact O-N 3.22Å; L71-Y75 HydrophobicContact CB-CD2 4.21Å; L71-Y75 HydrophobicContact CB-CE2 3.65Å; L71-Y75 WeakPolarHBondContact O-CD2 3.46Å; L71-Y75 PolarHBondContact O-N 3.22Å; L71-Y75 VanDerWaalsContact O-N 3.16Å
72G85.3Confident87.2Confident6 Ų652.4 Ų52.46%0.06227%0.273CS..Hα-helixtrans-56.9-46.5-175.900000113.2H69 M74 Y75 C76H69-G72 PolarHBondContact O-N 2.82Å; G72-M74 VanDerWaalsContact C-N 3.27Å; G72-M74 PolarHBondContact O-N 3Å; G72-Y75 PolarHBondContact O-N 3.33Å; G72-Y75 VanDerWaalsContact O-N 3.13Å; G72-C76 PolarHBondContact O-N 2.99Å; G72-C76 PolarHBondContact O-SG 3.3Å
73S90.9Very high87.5Confident40 Ų4052.2 Ų52.228%0.2827%0.272SS..Hα-helixtrans-64.9-29.8178.1-53.60000113L71 C76 R77 L104 T107L71-S73 PolarHBondContact O-N 2.96Å; S73-C76 PolarHBondContact O-N 2.92Å; S73-R77 PolarHBondContact O-N 3.17Å; S73-L104 WeakPolarHBondContact CA-O 3.29Å; S73-T107 PolarHBondContact O-OG1 2.91Å
74M92.5Very high88Confident134 Ų13451.7 Ų51.766%0.6627%0.268SS*.Hα-helixtrans-65.7-45173.4-174.9-157.2-170.800110.4L71 G72 C76 R77L71-M74 VanDerWaalsContact O-CB 3.29Å; L71-M74 WeakPolarHBondContact O-CB 3.19Å; L71-M74 PolarHBondContact O-N 3.22Å; G72-M74 VanDerWaalsContact C-N 3.27Å; G72-M74 PolarHBondContact O-N 3Å; M74-C76 VanDerWaalsContact C-N 3.34Å; M74-R77 WeakPolarHBondContact O-CB 3.45Å; M74-R77 PolarHBondContact O-N 3.16Å
75Y93.4Very high88.9Confident32 Ų3251.5 Ų51.513%0.12527%0.265CS..Hα-helixtrans-66.2-36.7177.3-64-60.3000112.1K13 V15 G44 G45 W60 T62 L71 G72 R77K13-Y75 WeakPolarHBondContact CE-O 3.25Å; K13-Y75 PolarHBondContact NZ-O 2.97Å; V15-Y75 WeakPolarHBondContact CG2-O 3.32Å; G44-Y75 VanDerWaalsContact C-OH 3.3Å; G45-Y75 PolarHBondContact N-OH 3Å; G45-Y75 VanDerWaalsContact N-OH 3.13Å; W60-Y75 HydrophobicContact CD2-CD1 4.49Å; W60-Y75 AromaticContact CE3-CD1 3.65Å; W60-Y75 HydrophobicContact CE3-CD1 3.65Å; W60-Y75 AromaticContact CE3-CE1 3.95Å; W60-Y75 HydrophobicContact CE3-CE1 3.95Å; W60-Y75 AromaticContact CZ3-CD1 3.96Å; W60-Y75 HydrophobicContact CZ3-CD1 3.96Å; W60-Y75 AromaticContact CZ3-CE1 3.95Å; W60-Y75 HydrophobicContact CZ3-CE1 3.95Å; T62-Y75 HydrophobicContact CG2-CD2 3.79Å; T62-Y75 HydrophobicContact CG2-CG 3.84Å; L71-Y75 HydrophobicContact CB-CD2 4.21Å; L71-Y75 HydrophobicContact CB-CE2 3.65Å; L71-Y75 WeakPolarHBondContact O-CD2 3.46Å; L71-Y75 PolarHBondContact O-N 3.22Å; L71-Y75 VanDerWaalsContact O-N 3.16Å; G72-Y75 PolarHBondContact O-N 3.33Å; G72-Y75 VanDerWaalsContact O-N 3.13Å; Y75-R77 VanDerWaalsContact C-N 3.28Å; Y75-R77 PolarHBondContact O-N 3.18Å
76C94.3Very high89.8Confident0 Ų047.3 Ų47.30%025%0.249CC..Hα-helixtrans-71.4-20.3178.5-61.80000113.6G72 S73 M74 G78 A79 I82 L104 T107 A108G72-C76 PolarHBondContact O-N 2.99Å; G72-C76 PolarHBondContact O-SG 3.3Å; S73-C76 PolarHBondContact O-N 2.92Å; M74-C76 VanDerWaalsContact C-N 3.34Å; C76-G78 PolarHBondContact O-N 3.38Å; C76-G78 VanDerWaalsContact O-N 3.13Å; C76-A79 WeakPolarHBondContact O-CB 3.39Å; C76-A79 PolarHBondContact O-N 3.08Å; C76-I82 HydrophobicContact CB-CD1 4.32Å; C76-L104 WeakPolarHBondContact CB-O 3.43Å; C76-T107 WeakPolarHBondContact CB-OG1 3.15Å; C76-A108 VanDerWaalsContact O-CA 3.31Å; C76-A108 WeakPolarHBondContact O-CA 3.1Å
77R93.9Very high91Very high183 Ų18341 Ų4169%0.69122%0.221SC*.THydrogen-bonded Turntrans-56.7122.1-178-172177.8173.288.5-1.3111.6K13 S73 M74 Y75 A79 T107K13-R77 PolarHBondContact NZ-O 3.44Å; S73-R77 PolarHBondContact O-N 3.17Å; M74-R77 WeakPolarHBondContact O-CB 3.45Å; M74-R77 PolarHBondContact O-N 3.16Å; Y75-R77 VanDerWaalsContact C-N 3.28Å; Y75-R77 PolarHBondContact O-N 3.18Å; R77-A79 PolarHBondContact O-N 3Å; R77-T107 WeakPolarHBondContact CA-O 3.31Å; R77-T107 PolarHBondContact N-OG1 3.02Å
78G90.6Very high92Very high32 Ų3233.6 Ų33.633%0.3319%0.186SC..THydrogen-bonded Turntrans72.810.7-179.500000114.7C76 A80 T107 N109C76-G78 PolarHBondContact O-N 3.38Å; C76-G78 VanDerWaalsContact O-N 3.13Å; G78-A80 PolarHBondContact O-N 2.82Å; G78-T107 PolarHBondContact N-O 3.41Å; G78-N109 VanDerWaalsContact CA-OD1 3.31Å; G78-N109 WeakPolarHBondContact CA-OD1 3.46Å
79A94.6Very high92.9Very high0 Ų032.2 Ų32.20%018%0.182CC..  trans-66.6131174.600000109.7V15 C76 R77 I82 A108 N109 C112V15-A79 HydrophobicContact CB-CB 4.5Å; V15-A79 HydrophobicContact CG2-CB 3.69Å; C76-A79 WeakPolarHBondContact O-CB 3.39Å; C76-A79 PolarHBondContact O-N 3.08Å; R77-A79 PolarHBondContact O-N 3Å; A79-I82 HydrophobicContact CB-CD1 4.16Å; A79-I82 HydrophobicContact CB-CG1 3.91Å; A79-A108 HydrophobicContact CB-CB 4.39Å; A79-N109 WeakPolarHBondContact O-CB 3.36Å; A79-N109 PolarHBondContact O-N 3.04Å; A79-N109 VanDerWaalsContact O-N 3.13Å; A79-C112 PolarHBondContact O-SG 3.28Å; A79-C112 VanDerWaalsContact O-SG 3.4Å
80A93.6Very high93.8Very high7 Ų732.1 Ų32.16%0.05818%0.183CC..SBendtrans-98.4-20.6175.600000112.3V12 K13 G78 C112 I113 I232V12-A80 HydrophobicContact CG1-CB 4.25Å; K13-A80 PolarHBondContact O-N 3.38Å; G78-A80 PolarHBondContact O-N 2.82Å; A80-C112 VanDerWaalsContact C-SG 3.6Å; A80-C112 WeakPolarHBondContact O-CA 3.37Å; A80-I113 PolarHBondContact O-N 2.87Å; A80-I232 HydrophobicContact CB-CD1 3.24Å; A80-I232 HydrophobicContact CB-CG1 3.93Å
81A95.3Very high94.6Very high0 Ų033.8 Ų33.80%017%0.168CC..EExtended strand (participates in β ladder)trans-137.3142.5167.200000110.6K13 L14 V15 I113K13-A81 PolarHBondContact O-N 2.91Å; L14-A81 VanDerWaalsContact CA-O 3.3Å; L14-A81 WeakPolarHBondContact CA-O 3.26Å; L14-A81 HydrophobicContact CB-CB 4.48Å; L14-A81 HydrophobicContact CD1-CB 4.04Å; L14-A81 HydrophobicContact CG-CB 4.16Å; V15-A81 PolarHBondContact N-O 3.4Å; A81-I113 CarbonylContact C-O 3.55Å; A81-I113 WeakPolarHBondContact CA-O 3.16Å; A81-I113 HydrophobicContact CB-CB 4.36Å
82I97.3Very high95.2Very high1 Ų134.8 Ų34.81%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-127.3126.5174.9-67.6174.5000108.9V15 L17 C76 A79 L84 T105 A108 I113 Y114 A115V15-I82 HydrophobicContact CB-CG1 4.42Å; V15-I82 WeakPolarHBondContact O-CA 2.94Å; L17-I82 HydrophobicContact CD1-CG2 3.87Å; L17-I82 HydrophobicContact CG-CG2 4.27Å; C76-I82 HydrophobicContact CB-CD1 4.32Å; A79-I82 HydrophobicContact CB-CD1 4.16Å; A79-I82 HydrophobicContact CB-CG1 3.91Å; I82-L84 HydrophobicContact CG2-CD2 4.07Å; I82-L84 HydrophobicContact CG2-CG 4.19Å; I82-T105 HydrophobicContact CD1-CG2 3.67Å; I82-T105 HydrophobicContact CG2-CG2 4.14Å; I82-A108 HydrophobicContact CD1-CB 3.71Å; I82-I113 PolarHBondContact N-O 2.92Å; I82-Y114 HydrophobicContact CB-CD1 4.13Å; I82-Y114 HydrophobicContact CB-CE1 4.28Å; I82-Y114 HydrophobicContact CD1-CE1 4.11Å; I82-Y114 HydrophobicContact CG2-CD1 4.46Å; I82-Y114 WeakPolarHBondContact O-CA 3.26Å; I82-A115 PolarHBondContact O-N 3.31Å
83I98.1Very high95.8Very high0 Ų034.5 Ų34.50%017%0.168CC..EExtended strand (participates in β ladder)trans-101.7110.3174.4-57.7-176.8000108.1L14 V15 F16 L17 V117 L220 L224L14-I83 HydrophobicContact CD1-CD1 3.96Å; L14-I83 HydrophobicContact CD1-CG1 4.26Å; L14-I83 HydrophobicContact CD2-CD1 3.68Å; L14-I83 HydrophobicContact CD2-CG1 4Å; L14-I83 HydrophobicContact CG-CD1 4.26Å; L14-I83 HydrophobicContact CG-CG1 4.32Å; V15-I83 PolarHBondContact O-N 2.99Å; F16-I83 WeakPolarHBondContact CA-O 3.23Å; F16-I83 HydrophobicContact CD1-CB 4.06Å; F16-I83 HydrophobicContact CD1-CG2 3.99Å; F16-I83 HydrophobicContact CE1-CB 4.09Å; F16-I83 HydrophobicContact CE1-CD1 3.9Å; F16-I83 HydrophobicContact CE1-CG2 3.78Å; F16-I83 HydrophobicContact CE2-CD1 3.97Å; F16-I83 HydrophobicContact CG-CB 4.47Å; F16-I83 HydrophobicContact CZ-CD1 3.54Å; F16-I83 HydrophobicContact CZ-CG2 4.48Å; L17-I83 PolarHBondContact N-O 3.07Å; I83-V117 HydrophobicContact CG2-CB 4.07Å; I83-V117 HydrophobicContact CG2-CG2 3.42Å; I83-V117 VanDerWaalsContact CG2-CG2 3.42Å; I83-L220 HydrophobicContact CD1-CD1 4.44Å; I83-L220 HydrophobicContact CD1-CD2 4.47Å; I83-L224 HydrophobicContact CD1-CD1 3.42Å; I83-L224 VanDerWaalsContact CD1-CD1 3.42Å; I83-L224 HydrophobicContact CG1-CD1 3.55Å
84L98.3Very high96.1Very high0 Ų032.9 Ų32.90%016%0.156CC..EExtended strand (participates in β ladder)trans-92110.6173.7-65171.2000108.4L17 I82 L97 F101 A115 L116 V117 I188L17-L84 HydrophobicContact CB-CD2 3.82Å; L17-L84 HydrophobicContact CD1-CD2 4.07Å; I82-L84 HydrophobicContact CG2-CD2 4.07Å; I82-L84 HydrophobicContact CG2-CG 4.19Å; L84-L97 HydrophobicContact CB-CD1 3.98Å; L84-L97 HydrophobicContact CB-CD2 4.1Å; L84-L97 HydrophobicContact CD2-CD2 4.42Å; L84-F101 HydrophobicContact CD2-CB 4.31Å; L84-A115 PolarHBondContact N-O 2.8Å; L84-L116 HydrophobicContact CB-CD2 3.69Å; L84-L116 HydrophobicContact CD1-CD2 3.91Å; L84-L116 HydrophobicContact CG-CD2 4.45Å; L84-L116 WeakPolarHBondContact O-CA 3.41Å; L84-V117 PolarHBondContact O-N 3.31Å; L84-I188 HydrophobicContact CD1-CD1 3.49Å; L84-I188 VanDerWaalsContact CD1-CD1 3.49Å; L84-I188 HydrophobicContact CD1-CG1 4.49Å
85T98.4Very high96.4Very high0 Ų028 Ų280%013%0.133CC..EExtended strand (participates in β ladder)trans-106.1130.9-172.1-47.90000110.9L17 V22 K24 L27 V117 N119L17-T85 PolarHBondContact O-N 2.86Å; V22-T85 HydrophobicContact CB-CG2 4.4Å; V22-T85 HydrophobicContact CG2-CG2 3.91Å; V22-T85 WeakPolarHBondContact CG2-O 3.46Å; K24-T85 HydrophobicContact CG-CG2 4.37Å; L27-T85 HydrophobicContact CD1-CG2 3.87Å; T85-V117 CarbonylContact C-O 3.41Å; T85-V117 WeakPolarHBondContact CA-O 3.27Å; T85-V117 HydrophobicContact CG2-CB 4.41Å; T85-V117 HydrophobicContact CG2-CG1 4.41Å; T85-N119 HydrophobicContact CG2-CB 4.11Å
86Y98.5Very high96.5Very high3 Ų328 Ų281%0.01213%0.134CC..EExtended strand (participates in β ladder)trans-126.5171.6172.468.2-86.5000110.4V88 L94 L97 L116 V117 G118 N119 V176 A181Y86-V88 HydrophobicContact CE2-CG1 4.16Å; Y86-L94 HydrophobicContact CD1-CD1 3.66Å; Y86-L94 HydrophobicContact CD2-CB 4.41Å; Y86-L94 HydrophobicContact CD2-CD1 4.14Å; Y86-L94 HydrophobicContact CE1-CD1 3.8Å; Y86-L94 HydrophobicContact CE2-CD1 4.29Å; Y86-L94 HydrophobicContact CG-CB 4.4Å; Y86-L94 HydrophobicContact CG-CD1 3.84Å; Y86-L97 HydrophobicContact CD1-CD1 3.92Å; Y86-L97 HydrophobicContact CG-CD1 4.35Å; Y86-L116 HydrophobicContact CE1-CB 4.48Å; Y86-V117 WeakPolarHBondContact CD1-O 3.41Å; Y86-V117 PolarHBondContact N-O 3.12Å; Y86-G118 VanDerWaalsContact CE1-N 3.3Å; Y86-G118 VanDerWaalsContact CE2-CA 3.48Å; Y86-N119 PolarHBondContact O-N 2.57Å; Y86-V176 HydrophobicContact CD2-CB 4.28Å; Y86-V176 HydrophobicContact CD2-CG1 4.09Å; Y86-V176 HydrophobicContact CD2-CG2 4.19Å; Y86-V176 HydrophobicContact CE2-CB 3.75Å; Y86-V176 HydrophobicContact CE2-CG1 3.36Å; Y86-V176 HydrophobicContact CE2-CG2 4.16Å; Y86-A181 HydrophobicContact CE1-CB 4.25Å; Y86-A181 WeakPolarHBondContact OH-CB 3.25Å
87D97.9Very high96.6Very high12 Ų1228 Ų286%0.06413%0.134CC..EExtended strand (participates in β ladder)trans-103.4124175.9175.7-13.4000109.5V22 T89 N90 S93 K120V22-D87 HydrophobicContact CG1-CB 4.42Å; D87-T89 PolarHBondContact O-N 3.27Å; D87-T89 VanDerWaalsContact O-N 3.11Å; D87-T89 WeakPolarHBondContact OD1-CB 3.39Å; D87-T89 PolarHBondContact OD1-N 3.09Å; D87-T89 PolarHBondContact OD1-OG1 2.83Å; D87-T89 PolarHBondContact OD2-OG1 3.32Å; D87-N90 HydrophobicContact CB-CB 4.11Å; D87-N90 PolarHBondContact O-N 3.05Å; D87-S93 PolarHBondContact N-OG 2.79Å; D87-S93 PolarHBondContact O-OG 3.34Å; D87-K120 WeakPolarHBondContact OD2-CD 3.26Å; D87-K120 VanDerWaalsContact OD2-CE 3.24Å; D87-K120 WeakPolarHBondContact OD2-CE 3.48Å; D87-K120 IonicContact OD2-NZ 3.4Å; D87-K120 PolarHBondContact OD2-NZ 2.71Å
88V97.8Very high96.7Very high0 Ų022.5 Ų22.50%012%0.117CC..THydrogen-bonded Turntrans-62.7-19.8-177.2-61.10000113.9Y86 N119 K120 T124 Q175 V176Y86-V88 HydrophobicContact CE2-CG1 4.16Å; V88-N119 WeakPolarHBondContact CG2-O 3.48Å; V88-N119 PolarHBondContact N-O 3.33Å; V88-N119 VanDerWaalsContact N-O 3.07Å; V88-K120 WeakPolarHBondContact CG2-O 3.47Å; V88-T124 HydrophobicContact CG2-CG2 3.82Å; V88-Q175 PolarHBondContact O-N 3Å; V88-V176 PolarHBondContact O-N 3.45Å
89T96.9Very high96.9Very high24 Ų2427.7 Ų27.715%0.14713%0.132CC..THydrogen-bonded Turntrans-91.7-0176.968.30000113.4D87 L123 T124 L172 Q175D87-T89 PolarHBondContact O-N 3.27Å; D87-T89 VanDerWaalsContact O-N 3.11Å; D87-T89 WeakPolarHBondContact OD1-CB 3.39Å; D87-T89 PolarHBondContact OD1-N 3.09Å; D87-T89 PolarHBondContact OD1-OG1 2.83Å; D87-T89 PolarHBondContact OD2-OG1 3.32Å; T89-L123 HydrophobicContact CG2-CB 3.9Å; T89-L123 HydrophobicContact CG2-CD1 4.17Å; T89-T124 HydrophobicContact CG2-CG2 3.62Å; T89-L172 HydrophobicContact CG2-CB 4.14Å; T89-L172 HydrophobicContact CG2-CD1 4.17Å; T89-Q175 WeakPolarHBondContact O-CG 3.43Å; T89-Q175 PolarHBondContact O-NE2 3.47Å; T89-Q175 PolarHBondContact O-OE1 3.16Å
90N97.3Very high96.8Very high60 Ų6028.9 Ų28.932%0.32114%0.137SC..  trans-134.7102.6-176-179.20.2000111.7D87 Q92 S93D87-N90 HydrophobicContact CB-CB 4.11Å; D87-N90 PolarHBondContact O-N 3.05Å; N90-Q92 VanDerWaalsContact C-N 3.32Å; N90-Q92 PolarHBondContact O-N 3.2Å; N90-Q92 WeakPolarHBondContact OD1-CB 3.32Å; N90-Q92 PolarHBondContact OD1-N 3.48Å; N90-S93 WeakPolarHBondContact O-CB 3.21Å; N90-S93 PolarHBondContact O-N 3.02Å; N90-S93 PolarHBondContact O-OG 2.91Å
91W97.3Very high96.8Very high106 Ų10628.8 Ų28.840%0.40214%0.135SC..Hα-helixtrans-56.7-41.8177.5-179.2-98.2000113.5S93 L94 V95 Q175 V176 D180W91-S93 PolarHBondContact O-N 3.13Å; W91-L94 HydrophobicContact CH2-CD2 4.28Å; W91-L94 HydrophobicContact CZ3-CD2 4.17Å; W91-L94 WeakPolarHBondContact O-CB 3.19Å; W91-L94 PolarHBondContact O-N 3.45Å; W91-V95 PolarHBondContact O-N 2.83Å; W91-Q175 HydrophobicContact CB-CB 4.31Å; W91-V176 HydrophobicContact CE3-CG2 3.9Å; W91-D180 HydrophobicContact CH2-CB 4Å; W91-D180 HydrophobicContact CZ3-CB 3.83Å; W91-D180 VanDerWaalsContact CZ3-CG 3.47Å; W91-D180 WeakPolarHBondContact CZ3-OD2 3.32Å
92Q97.4Very high96.8Very high91 Ų9129.1 Ų29.143%0.42514%0.137SC..Hα-helixtrans-59.1-35.3-178.3-171.461.430.500111.1N90 L94 V95 E96N90-Q92 VanDerWaalsContact C-N 3.32Å; N90-Q92 PolarHBondContact O-N 3.2Å; N90-Q92 WeakPolarHBondContact OD1-CB 3.32Å; N90-Q92 PolarHBondContact OD1-N 3.48Å; Q92-L94 PolarHBondContact O-N 2.86Å; Q92-V95 PolarHBondContact O-N 2.8Å; Q92-V95 VanDerWaalsContact O-N 3.11Å; Q92-E96 HydrophobicContact CG-CG 4.3Å; Q92-E96 PolarHBondContact NE2-OE1 3.4Å; Q92-E96 WeakPolarHBondContact O-CG 3.32Å; Q92-E96 PolarHBondContact O-N 2.84Å
93S97.7Very high96.7Very high0 Ų031.4 Ų31.40%015%0.153CC..Hα-helixtrans-63.9-25.4179.274.80000113.8D87 N90 W91D87-S93 PolarHBondContact N-OG 2.79Å; D87-S93 PolarHBondContact O-OG 3.34Å; N90-S93 WeakPolarHBondContact O-CB 3.21Å; N90-S93 PolarHBondContact O-N 3.02Å; N90-S93 PolarHBondContact O-OG 2.91Å; W91-S93 PolarHBondContact O-N 3.13Å
94L98Very high96.5Very high5 Ų531.9 Ų31.93%0.02616%0.155CC..Hα-helixtrans-76.9-44.2171.9-175.679000110.9Y86 W91 Q92 E96 L97 V176 D180 L184Y86-L94 HydrophobicContact CD1-CD1 3.66Å; Y86-L94 HydrophobicContact CD2-CB 4.41Å; Y86-L94 HydrophobicContact CD2-CD1 4.14Å; Y86-L94 HydrophobicContact CE1-CD1 3.8Å; Y86-L94 HydrophobicContact CE2-CD1 4.29Å; Y86-L94 HydrophobicContact CG-CB 4.4Å; Y86-L94 HydrophobicContact CG-CD1 3.84Å; W91-L94 HydrophobicContact CH2-CD2 4.28Å; W91-L94 HydrophobicContact CZ3-CD2 4.17Å; W91-L94 WeakPolarHBondContact O-CB 3.19Å; W91-L94 PolarHBondContact O-N 3.45Å; Q92-L94 PolarHBondContact O-N 2.86Å; L94-E96 VanDerWaalsContact C-N 3.33Å; L94-E96 PolarHBondContact O-N 2.9Å; L94-L97 HydrophobicContact CD1-CD1 4.39Å; L94-L97 VanDerWaalsContact O-CB 3.3Å; L94-L97 WeakPolarHBondContact O-CB 3.22Å; L94-L97 PolarHBondContact O-N 2.88Å; L94-L97 VanDerWaalsContact O-N 3.13Å; L94-V176 HydrophobicContact CB-CG2 4.14Å; L94-V176 HydrophobicContact CD1-CG1 4.25Å; L94-V176 HydrophobicContact CD2-CG1 3.78Å; L94-V176 HydrophobicContact CD2-CG2 4.5Å; L94-V176 HydrophobicContact CG-CG1 4.4Å; L94-D180 HydrophobicContact CD2-CB 3.96Å; L94-L184 HydrophobicContact CD1-CD2 3.58Å; L94-L184 HydrophobicContact CG-CD2 3.94Å
95V97.7Very high96.4Very high32 Ų3231.9 Ų31.919%0.19416%0.156CC..Hα-helixtrans-58.8-45.5179.2175.20000110.9W91 Q92 L97 E98 E99W91-V95 PolarHBondContact O-N 2.83Å; Q92-V95 PolarHBondContact O-N 2.8Å; Q92-V95 VanDerWaalsContact O-N 3.11Å; V95-L97 PolarHBondContact O-N 3.38Å; V95-L97 VanDerWaalsContact O-N 3.13Å; V95-E98 PolarHBondContact O-N 3.13Å; V95-E99 VanDerWaalsContact CG1-CD 3.43Å; V95-E99 HydrophobicContact CG1-CG 4.01Å; V95-E99 WeakPolarHBondContact CG1-OE1 3.44Å; V95-E99 PolarHBondContact O-N 2.79Å; V95-E99 VanDerWaalsContact O-N 3.07Å
96E96.2Very high96.2Very high32 Ų3236.4 Ų36.415%0.1518%0.18CC..Hα-helixtrans-57.9-29.4177.9-70.4-61.5138.300113Q92 L94 E98 R100 F101Q92-E96 HydrophobicContact CG-CG 4.3Å; Q92-E96 PolarHBondContact NE2-OE1 3.4Å; Q92-E96 WeakPolarHBondContact O-CG 3.32Å; Q92-E96 PolarHBondContact O-N 2.84Å; L94-E96 VanDerWaalsContact C-N 3.33Å; L94-E96 PolarHBondContact O-N 2.9Å; E96-E98 VanDerWaalsContact C-N 3.27Å; E96-E98 PolarHBondContact O-N 2.84Å; E96-R100 WeakPolarHBondContact O-CA 3.25Å; E96-R100 WeakPolarHBondContact O-CB 3.27Å; E96-R100 PolarHBondContact O-N 2.89Å; E96-R100 WeakPolarHBondContact OE2-CD 3.3Å; E96-F101 HydrophobicContact CB-CD2 4.45Å; E96-F101 HydrophobicContact CB-CE2 4.27Å; E96-F101 VanDerWaalsContact O-CD2 3.31Å; E96-F101 WeakPolarHBondContact O-CD2 3.49Å; E96-F101 PolarHBondContact O-N 2.83Å; E96-F101 VanDerWaalsContact O-N 3.12Å
97L96.9Very high96Very high0 Ų038.8 Ų38.80%019%0.194CC..Iπ-helixtrans-60.1-40.8176.7-64.2-178.4000111.6L84 Y86 L94 V95 F101 L102 L116 L184L84-L97 HydrophobicContact CB-CD1 3.98Å; L84-L97 HydrophobicContact CB-CD2 4.1Å; L84-L97 HydrophobicContact CD2-CD2 4.42Å; Y86-L97 HydrophobicContact CD1-CD1 3.92Å; Y86-L97 HydrophobicContact CG-CD1 4.35Å; L94-L97 HydrophobicContact CD1-CD1 4.39Å; L94-L97 VanDerWaalsContact O-CB 3.3Å; L94-L97 WeakPolarHBondContact O-CB 3.22Å; L94-L97 PolarHBondContact O-N 2.88Å; L94-L97 VanDerWaalsContact O-N 3.13Å; V95-L97 PolarHBondContact O-N 3.38Å; V95-L97 VanDerWaalsContact O-N 3.13Å; L97-F101 HydrophobicContact CD2-CD2 4.21Å; L97-F101 PolarHBondContact O-N 2.71Å; L97-L102 WeakPolarHBondContact O-CB 3.39Å; L97-L102 PolarHBondContact O-N 3.48Å; L97-L116 HydrophobicContact CD1-CD2 4.11Å; L97-L184 HydrophobicContact CB-CD2 4.1Å; L97-L184 HydrophobicContact CD1-CD2 4.21Å
98E95.6Very high95.8Very high68 Ų6839 Ų3932%0.31820%0.198SC..Iπ-helixtrans-77.8-50.1179.1-170164.5-168.200111.5V95 E96 L102 L184 R187V95-E98 PolarHBondContact O-N 3.13Å; E96-E98 VanDerWaalsContact C-N 3.27Å; E96-E98 PolarHBondContact O-N 2.84Å; E98-L102 HydrophobicContact CG-CD2 4.48Å; E98-L102 WeakPolarHBondContact O-CB 3.44Å; E98-L184 HydrophobicContact CB-CD1 3.74Å; E98-L184 HydrophobicContact CG-CD1 4.07Å; E98-L184 WeakPolarHBondContact OE2-CD1 3.49Å; E98-R187 VanDerWaalsContact CD-NE 3.29Å; E98-R187 WeakPolarHBondContact OE1-CD 3.48Å; E98-R187 IonicContact OE1-CZ 3.95Å; E98-R187 IonicContact OE1-NE 2.84Å; E98-R187 PolarHBondContact OE1-NE 3.32Å; E98-R187 IonicContact OE2-CZ 2.8Å; E98-R187 VanDerWaalsContact OE2-CZ 3.24Å; E98-R187 IonicContact OE2-NE 2.79Å; E98-R187 PolarHBondContact OE2-NE 3.25Å; E98-R187 IonicContact OE2-NH2 2.86Å; E98-R187 PolarHBondContact OE2-NH2 2.95Å
99E94.3Very high95.5Very high140 Ų14041.8 Ų41.865%0.65421%0.213SC*.Iπ-helixtrans-73-36.4-171.1-65.8-174.5168.400112.6V95V95-E99 VanDerWaalsContact CG1-CD 3.43Å; V95-E99 HydrophobicContact CG1-CG 4.01Å; V95-E99 WeakPolarHBondContact CG1-OE1 3.44Å; V95-E99 PolarHBondContact O-N 2.79Å; V95-E99 VanDerWaalsContact O-N 3.07Å
100R92.3Very high95Very high26 Ų2648.4 Ų48.410%0.09824%0.242CC..Iπ-helixtrans-114.9-48.2-170.1-174.9174.3155.1-141.2-17.7112.6D19 G64 R65 E66 H69 E96 S103D19-R100 IonicContact OD1-NH1 2.71Å; G64-R100 PolarHBondContact O-NH2 3.08Å; R65-R100 PolarHBondContact O-NH2 2.88Å; E66-R100 VanDerWaalsContact CA-NH2 3.27Å; E66-R100 VanDerWaalsContact CG-NH1 3.32Å; E66-R100 VanDerWaalsContact N-NH2 3.11Å; H69-R100 PolarHBondContact CE1-O 3.4Å; H69-R100 VanDerWaalsContact CE1-O 3.23Å; E96-R100 WeakPolarHBondContact O-CA 3.25Å; E96-R100 WeakPolarHBondContact O-CB 3.27Å; E96-R100 PolarHBondContact O-N 2.89Å; E96-R100 WeakPolarHBondContact OE2-CD 3.3Å; R100-S103 PolarHBondContact O-OG 3.15Å
101F94.8Very high94.5Very high4 Ų447.9 Ų47.92%0.01824%0.239CC..Iπ-helixtrans-84.9-26.6-170.8-66.2-82.7000114.1L17 G18 D19 L84 E96 L97 S103 L104L17-F101 HydrophobicContact CB-CB 4.49Å; L17-F101 HydrophobicContact CB-CD1 4.17Å; G18-F101 VanDerWaalsContact C-CE2 3.48Å; G18-F101 VanDerWaalsContact O-CZ 3.25Å; G18-F101 WeakPolarHBondContact O-CZ 3.34Å; D19-F101 HydrophobicContact CB-CE2 4.22Å; L84-F101 HydrophobicContact CD2-CB 4.31Å; E96-F101 HydrophobicContact CB-CD2 4.45Å; E96-F101 HydrophobicContact CB-CE2 4.27Å; E96-F101 VanDerWaalsContact O-CD2 3.31Å; E96-F101 WeakPolarHBondContact O-CD2 3.49Å; E96-F101 PolarHBondContact O-N 2.83Å; E96-F101 VanDerWaalsContact O-N 3.12Å; L97-F101 HydrophobicContact CD2-CD2 4.21Å; L97-F101 PolarHBondContact O-N 2.71Å; F101-S103 PolarHBondContact O-N 2.88Å; F101-L104 HydrophobicContact CD1-CD1 3.93Å; F101-L104 WeakPolarHBondContact O-CB 3.47Å; F101-L104 PolarHBondContact O-N 3.11Å
102L95.1Very high94.2Very high7 Ų743 Ų434%0.03722%0.221CC..THydrogen-bonded Turntrans-61.7-43.8-174.7-177.153.2000112.7L97 E98 L104 T105 I188 Y191L97-L102 WeakPolarHBondContact O-CB 3.39Å; L97-L102 PolarHBondContact O-N 3.48Å; E98-L102 HydrophobicContact CG-CD2 4.48Å; E98-L102 WeakPolarHBondContact O-CB 3.44Å; L102-L104 VanDerWaalsContact C-N 3.25Å; L102-L104 PolarHBondContact O-N 3.3Å; L102-T105 WeakPolarHBondContact O-CB 3.45Å; L102-T105 PolarHBondContact O-N 2.87Å; L102-T105 VanDerWaalsContact O-N 3.09Å; L102-T105 PolarHBondContact O-OG1 2.71Å; L102-I188 HydrophobicContact CD1-CB 4.4Å; L102-I188 HydrophobicContact CD1-CG1 4.03Å; L102-I188 HydrophobicContact CD1-CG2 3.96Å; L102-I188 HydrophobicContact CD2-CG1 4.22Å; L102-Y191 HydrophobicContact CD1-CD1 3.76Å; L102-Y191 HydrophobicContact CD1-CE1 4.11Å; L102-Y191 HydrophobicContact CD2-CD1 3.68Å; L102-Y191 HydrophobicContact CD2-CD2 4.23Å; L102-Y191 HydrophobicContact CD2-CE1 4.19Å; L102-Y191 HydrophobicContact CD2-CG 3.69Å; L102-Y191 HydrophobicContact CG-CD1 3.54Å; L102-Y191 HydrophobicContact CG-CE1 3.67Å; L102-Y191 HydrophobicContact CG-CG 4.09Å
103S94.2Very high94Very high50 Ų5039.8 Ų39.835%0.3521%0.206SC..G310 helixtrans-63.2-29.5178.460.90000113.1R100 F101 T105 D106R100-S103 PolarHBondContact O-OG 3.15Å; F101-S103 PolarHBondContact O-N 2.88Å; S103-T105 PolarHBondContact O-N 3.09Å; S103-T105 VanDerWaalsContact O-N 3.14Å; S103-D106 WeakPolarHBondContact O-CB 3.38Å; S103-D106 PolarHBondContact O-N 3.3Å
104L94.2Very high94Very high9 Ų940.1 Ų40.15%0.04721%0.208CC..G310 helixtrans-63-24.7177.2-58.2177.1000112.2H69 S73 C76 F101 L102 D106H69-L104 VanDerWaalsContact CE1-CD2 3.46Å; H69-L104 WeakPolarHBondContact CE1-CD2 3.37Å; H69-L104 WeakPolarHBondContact ND1-CD1 3.15Å; S73-L104 WeakPolarHBondContact CA-O 3.29Å; C76-L104 WeakPolarHBondContact CB-O 3.43Å; F101-L104 HydrophobicContact CD1-CD1 3.93Å; F101-L104 WeakPolarHBondContact O-CB 3.47Å; F101-L104 PolarHBondContact O-N 3.11Å; L102-L104 VanDerWaalsContact C-N 3.25Å; L102-L104 PolarHBondContact O-N 3.3Å; L104-D106 VanDerWaalsContact C-N 3.25Å; L104-D106 PolarHBondContact O-N 2.61Å
105T95.8Very high93.9Very high1 Ų139.9 Ų39.91%0.00621%0.207CC..G310 helixtrans-81.4-0.8-177.571.50000113.2L17 I82 L102 S103 T107 A108 Y114 K192L17-T105 HydrophobicContact CD1-CG2 3.55Å; I82-T105 HydrophobicContact CD1-CG2 3.67Å; I82-T105 HydrophobicContact CG2-CG2 4.14Å; L102-T105 WeakPolarHBondContact O-CB 3.45Å; L102-T105 PolarHBondContact O-N 2.87Å; L102-T105 VanDerWaalsContact O-N 3.09Å; L102-T105 PolarHBondContact O-OG1 2.71Å; S103-T105 PolarHBondContact O-N 3.09Å; S103-T105 VanDerWaalsContact O-N 3.14Å; T105-T107 PolarHBondContact O-N 3.12Å; T105-A108 WeakPolarHBondContact O-CB 2.99Å; T105-A108 PolarHBondContact O-N 3.31Å; T105-Y114 HydrophobicContact CG2-CE1 4.23Å; T105-K192 PolarHBondContact O-NZ 2.86Å; T105-K192 WeakPolarHBondContact OG1-CE 3.2Å; T105-K192 PolarHBondContact OG1-NZ 3.41Å
106D94.2Very high94Very high95 Ų9538.4 Ų38.451%0.50820%0.198SC..G310 helixtrans-64.2-20.9-179.8-69.9-13.2000113.7S103 L104 A108 Y191 K192S103-D106 WeakPolarHBondContact O-CB 3.38Å; S103-D106 PolarHBondContact O-N 3.3Å; L104-D106 VanDerWaalsContact C-N 3.25Å; L104-D106 PolarHBondContact O-N 2.61Å; D106-A108 VanDerWaalsContact C-N 3.35Å; D106-Y191 WeakPolarHBondContact OD1-CE1 3.49Å; D106-Y191 PolarHBondContact OD1-OH 3.02Å; D106-Y191 PolarHBondContact OD2-OH 2.9Å; D106-K192 IonicContact OD1-NZ 2.7Å; D106-K192 PolarHBondContact OD1-NZ 3.3Å
107T93.6Very high94.1Very high52 Ų5236.9 Ų36.932%0.31919%0.191SC..G310 helixtrans-87.7-3.7175.259.30000113.5S73 C76 R77 G78 T105S73-T107 PolarHBondContact O-OG1 2.91Å; C76-T107 WeakPolarHBondContact CB-OG1 3.15Å; R77-T107 WeakPolarHBondContact CA-O 3.31Å; R77-T107 PolarHBondContact N-OG1 3.02Å; G78-T107 PolarHBondContact N-O 3.41Å; T105-T107 PolarHBondContact O-N 3.12Å
108A94.4Very high94.2Very high16 Ų1636.9 Ų36.913%0.13219%0.191CC..SBendtrans-66.3170.7176.100000111.6C76 A79 I82 T105 D106 C112C76-A108 VanDerWaalsContact O-CA 3.31Å; C76-A108 WeakPolarHBondContact O-CA 3.1Å; A79-A108 HydrophobicContact CB-CB 4.39Å; I82-A108 HydrophobicContact CD1-CB 3.71Å; T105-A108 WeakPolarHBondContact O-CB 2.99Å; T105-A108 PolarHBondContact O-N 3.31Å; D106-A108 VanDerWaalsContact C-N 3.35Å; A108-C112 HydrophobicContact CB-CB 3.98Å
109N91.3Very high94.3Very high60 Ų6033.9 Ų33.932%0.32118%0.176SC..  trans-63148.1173.2-65.7-16.5000110.1G78 A79 D111 C112G78-N109 VanDerWaalsContact CA-OD1 3.31Å; G78-N109 WeakPolarHBondContact CA-OD1 3.46Å; A79-N109 WeakPolarHBondContact O-CB 3.36Å; A79-N109 PolarHBondContact O-N 3.04Å; A79-N109 VanDerWaalsContact O-N 3.13Å; N109-D111 WeakPolarHBondContact CB-OD1 3.45Å; N109-D111 PolarHBondContact O-N 2.82Å; N109-C112 WeakPolarHBondContact O-CB 3.37Å; N109-C112 PolarHBondContact O-N 2.83Å
110H86.7Confident94.4Very high162 Ų16229.6 Ų29.675%0.7516%0.156SC*.THydrogen-bonded Turntrans-56.3-29.2179.8-176-67.6000112.4
111D86.1Confident94.6Very high50 Ų5028.4 Ų28.427%0.26715%0.151SC..THydrogen-bonded Turntrans-106.224-178.663.1-48.1000113.5N109 I113 K235N109-D111 WeakPolarHBondContact CB-OD1 3.45Å; N109-D111 PolarHBondContact O-N 2.82Å; D111-I113 PolarHBondContact O-N 2.87Å; D111-K235 WeakPolarHBondContact OD2-CD 3.49Å; D111-K235 VanDerWaalsContact OD2-CE 3.3Å; D111-K235 WeakPolarHBondContact OD2-CE 3.42Å; D111-K235 IonicContact OD2-NZ 3.5Å; D111-K235 PolarHBondContact OD2-NZ 3.24Å
112C92.3Very high94.6Very high4 Ų428.5 Ų28.53%0.02715%0.152CC..  trans-56.2134177-165.50000110.7A79 A80 A108 N109 Y114A79-C112 PolarHBondContact O-SG 3.28Å; A79-C112 VanDerWaalsContact O-SG 3.4Å; A80-C112 VanDerWaalsContact C-SG 3.6Å; A80-C112 WeakPolarHBondContact O-CA 3.37Å; A108-C112 HydrophobicContact CB-CB 3.98Å; N109-C112 WeakPolarHBondContact O-CB 3.37Å; N109-C112 PolarHBondContact O-N 2.83Å; C112-Y114 HydrophobicContact CB-CE2 3.87Å; C112-Y114 VanDerWaalsContact O-CD2 3.22Å; C112-Y114 WeakPolarHBondContact O-CD2 3.25Å; C112-Y114 WeakPolarHBondContact O-CE2 3.47Å
113I93.6Very high94.5Very high22 Ų2230.7 Ų30.711%0.11316%0.163CC..EExtended strand (participates in β ladder)trans-82.1129.3171.6-63.1172.8000108.3A80 A81 I82 D111 L200 M205 L224 L227 A228A80-I113 PolarHBondContact O-N 2.87Å; A81-I113 CarbonylContact C-O 3.55Å; A81-I113 WeakPolarHBondContact CA-O 3.16Å; A81-I113 HydrophobicContact CB-CB 4.36Å; I82-I113 PolarHBondContact N-O 2.92Å; D111-I113 PolarHBondContact O-N 2.87Å; I113-L200 HydrophobicContact CD1-CD1 4.01Å; I113-L200 HydrophobicContact CG1-CD1 4.06Å; I113-L200 HydrophobicContact CG2-CD1 3.8Å; I113-M205 HydrophobicContact CG2-SD 3.83Å; I113-L224 HydrophobicContact CG2-CD2 4.07Å; I113-L227 HydrophobicContact CD1-CB 4.14Å; I113-A228 HydrophobicContact CD1-CB 4.06Å
114Y95.9Very high94.5Very high8 Ų829.2 Ų29.23%0.03115%0.152CC..EExtended strand (participates in β ladder)trans-107.2137.5175.8-62.2-91.7000109.8I82 T105 C112 Y185 I188 K192 L194I82-Y114 HydrophobicContact CB-CD1 4.13Å; I82-Y114 HydrophobicContact CB-CE1 4.28Å; I82-Y114 HydrophobicContact CD1-CE1 4.11Å; I82-Y114 HydrophobicContact CG2-CD1 4.46Å; I82-Y114 WeakPolarHBondContact O-CA 3.26Å; T105-Y114 HydrophobicContact CG2-CE1 4.23Å; C112-Y114 HydrophobicContact CB-CE2 3.87Å; C112-Y114 VanDerWaalsContact O-CD2 3.22Å; C112-Y114 WeakPolarHBondContact O-CD2 3.25Å; C112-Y114 WeakPolarHBondContact O-CE2 3.47Å; Y114-Y185 WeakPolarHBondContact O-CE2 3.39Å; Y114-I188 HydrophobicContact CD1-CG2 4.12Å; Y114-I188 HydrophobicContact CD2-CG2 4.43Å; Y114-I188 HydrophobicContact CG-CG2 4.01Å; Y114-K192 HydrophobicContact CE2-CG 3.96Å; Y114-K192 WeakPolarHBondContact OH-CD 3.41Å; Y114-K192 WeakPolarHBondContact OH-CE 3.43Å; Y114-L194 HydrophobicContact CD2-CD1 4.13Å; Y114-L194 HydrophobicContact CE2-CD1 4.01Å
115A97.7Very high94.3Very high0 Ų030.9 Ų30.90%016%0.161CC..EExtended strand (participates in β ladder)trans-129.8140.1170.100000110.7I82 L84 M205 F207 L224I82-A115 PolarHBondContact O-N 3.31Å; L84-A115 PolarHBondContact N-O 2.8Å; A115-M205 CarbonylContact C-O 3.59Å; A115-M205 VanDerWaalsContact CA-O 3.26Å; A115-M205 WeakPolarHBondContact CA-O 2.91Å; A115-M205 WeakPolarHBondContact CB-O 3.21Å; A115-F207 HydrophobicContact CB-CE2 4.28Å; A115-L224 HydrophobicContact CB-CD1 4.13Å; A115-L224 HydrophobicContact CB-CD2 3.94Å
116L98.3Very high93.9Very high1 Ų134.1 Ų34.11%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-99.4133.1170.9-67.8-175.5000109.4L84 Y86 L97 A181 L184 I188 M205 C206 F207L84-L116 HydrophobicContact CB-CD2 3.69Å; L84-L116 HydrophobicContact CD1-CD2 3.91Å; L84-L116 HydrophobicContact CG-CD2 4.45Å; L84-L116 WeakPolarHBondContact O-CA 3.41Å; Y86-L116 HydrophobicContact CE1-CB 4.48Å; L97-L116 HydrophobicContact CD1-CD2 4.11Å; L116-A181 HydrophobicContact CD1-CB 4.12Å; L116-A181 WeakPolarHBondContact CD1-O 3.41Å; L116-L184 HydrophobicContact CD1-CB 3.97Å; L116-L184 HydrophobicContact CD1-CD2 4.04Å; L116-L184 HydrophobicContact CD1-CG 4Å; L116-L184 HydrophobicContact CD2-CD2 4.09Å; L116-L184 HydrophobicContact CD2-CG 4.49Å; L116-I188 HydrophobicContact CD2-CD1 3.79Å; L116-I188 HydrophobicContact CG-CD1 4.43Å; L116-M205 PolarHBondContact N-O 2.78Å; L116-C206 WeakPolarHBondContact O-CA 3.45Å; L116-F207 PolarHBondContact O-N 3.19Å
117V98.6Very high93.6Very high0 Ų036.1 Ų36.10%019%0.188CC..EExtended strand (participates in β ladder)trans-129.2108.6-178.9-179.70000110L27 I83 L84 T85 Y86 N119 F207 T209 L220L27-V117 HydrophobicContact CD1-CG1 3.96Å; I83-V117 HydrophobicContact CG2-CB 4.07Å; I83-V117 HydrophobicContact CG2-CG2 3.42Å; I83-V117 VanDerWaalsContact CG2-CG2 3.42Å; L84-V117 PolarHBondContact O-N 3.31Å; T85-V117 CarbonylContact C-O 3.41Å; T85-V117 WeakPolarHBondContact CA-O 3.27Å; T85-V117 HydrophobicContact CG2-CB 4.41Å; T85-V117 HydrophobicContact CG2-CG1 4.41Å; Y86-V117 WeakPolarHBondContact CD1-O 3.41Å; Y86-V117 PolarHBondContact N-O 3.12Å; V117-N119 PolarHBondContact O-N 3.13Å; V117-F207 CarbonylContact C-O 3.48Å; V117-F207 WeakPolarHBondContact CA-O 3.44Å; V117-F207 HydrophobicContact CG2-CB 4.39Å; V117-F207 HydrophobicContact CG2-CD2 4.44Å; V117-T209 HydrophobicContact CG1-CG2 3.91Å; V117-T209 WeakPolarHBondContact CG1-OG1 3.41Å; V117-L220 HydrophobicContact CG1-CD2 4.04Å; V117-L220 HydrophobicContact CG2-CD1 3.55Å; V117-L220 HydrophobicContact CG2-CD2 3.66Å; V117-L220 HydrophobicContact CG2-CG 4.26Å
118G98.3Very high93.3Very high0 Ų033.6 Ų33.60%017%0.173CC..EExtended strand (participates in β ladder)trans-81.1105.6166.400000109.3Y86 F207 E208 T209Y86-G118 VanDerWaalsContact CE1-N 3.3Å; Y86-G118 VanDerWaalsContact CE2-CA 3.48Å; G118-F207 PolarHBondContact N-O 2.64Å; G118-E208 CarbonylContact O-C 3.46Å; G118-E208 VanDerWaalsContact O-CA 3.27Å; G118-E208 WeakPolarHBondContact O-CA 2.97Å; G118-T209 PolarHBondContact O-N 3.25Å
119N98Very high92.7Very high4 Ų434.9 Ų34.92%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-91.1167.8178-169.828.2000111.3V22 L27 T85 Y86 V88 V117 T209 A211V22-N119 WeakPolarHBondContact O-CB 3.4Å; V22-N119 PolarHBondContact O-ND2 2.96Å; L27-N119 HydrophobicContact CD1-CB 4.06Å; T85-N119 HydrophobicContact CG2-CB 4.11Å; Y86-N119 PolarHBondContact O-N 2.57Å; V88-N119 WeakPolarHBondContact CG2-O 3.48Å; V88-N119 PolarHBondContact N-O 3.33Å; V88-N119 VanDerWaalsContact N-O 3.07Å; V117-N119 PolarHBondContact O-N 3.13Å; N119-T209 CarbonylContact C-O 3.57Å; N119-T209 WeakPolarHBondContact CA-O 3.38Å; N119-T209 PolarHBondContact OD1-O 2.9Å; N119-A211 PolarHBondContact OD1-N 2.85Å; N119-A211 VanDerWaalsContact OD1-N 3.12Å
120K96.7Very high91.6Very high51 Ų5139.1 Ų39.122%0.22220%0.198CC..  trans68.731.9-178-43.4-173.6-165.5169.70113.7N21 D87 V88 D122 L123 T209N21-K120 WeakPolarHBondContact O-CE 3.33Å; N21-K120 PolarHBondContact O-NZ 2.97Å; D87-K120 WeakPolarHBondContact OD2-CD 3.26Å; D87-K120 VanDerWaalsContact OD2-CE 3.24Å; D87-K120 WeakPolarHBondContact OD2-CE 3.48Å; D87-K120 IonicContact OD2-NZ 3.4Å; D87-K120 PolarHBondContact OD2-NZ 2.71Å; V88-K120 WeakPolarHBondContact CG2-O 3.47Å; K120-D122 WeakPolarHBondContact CA-OD1 3.5Å; K120-D122 PolarHBondContact O-N 2.84Å; K120-D122 VanDerWaalsContact O-N 3.14Å; K120-L123 HydrophobicContact CB-CD1 3.91Å; K120-L123 HydrophobicContact CB-CG 4.2Å; K120-L123 HydrophobicContact CD-CD1 4.08Å; K120-L123 WeakPolarHBondContact O-CB 3.47Å; K120-L123 PolarHBondContact O-N 2.85Å; K120-T209 PolarHBondContact N-O 2.82Å
121A96.6Very high90.3Very high0 Ų034.4 Ų34.40%018%0.182CC..G310 helixtrans-57.6-25.6175.800000112.9L123 T124 D125 A128 E208 T209 Y215A121-L123 PolarHBondContact O-N 2.86Å; A121-T124 PolarHBondContact O-N 3.45Å; A121-T124 PolarHBondContact O-OG1 3.3Å; A121-D125 PolarHBondContact O-N 3.19Å; A121-A128 HydrophobicContact CB-CB 4Å; A121-E208 HydrophobicContact CB-CB 4.33Å; A121-T209 WeakPolarHBondContact CB-O 3.25Å; A121-T209 PolarHBondContact N-O 3.43Å; A121-Y215 HydrophobicContact CB-CD1 4.2Å; A121-Y215 HydrophobicContact CB-CE1 4.42Å
122D95.1Very high88.7Confident7 Ų739.8 Ų39.84%0.03721%0.206CC..G310 helixtrans-59.9-21.617262.3-72.3000113.2K120 T124 A128 H129 S210 K212 T213K120-D122 WeakPolarHBondContact CA-OD1 3.5Å; K120-D122 PolarHBondContact O-N 2.84Å; K120-D122 VanDerWaalsContact O-N 3.14Å; D122-T124 VanDerWaalsContact C-N 3.29Å; D122-A128 HydrophobicContact CB-CB 4.29Å; D122-H129 PolarHBondContact O-CE1 3.33Å; D122-H129 PolarHBondContact O-NE2 3.42Å; D122-S210 VanDerWaalsContact OD1-CB 3.3Å; D122-S210 WeakPolarHBondContact OD1-CB 3.34Å; D122-S210 PolarHBondContact OD1-OG 3.07Å; D122-K212 WeakPolarHBondContact OD2-CD 3.3Å; D122-T213 HydrophobicContact CB-CG2 3.96Å
123L93.9Very high86.7Confident52 Ų5243.8 Ų43.827%0.27223%0.227SC..G310 helixtrans-80.7-13.2176-59179.6000112.6T89 K120 A121 L171 L172T89-L123 HydrophobicContact CG2-CB 3.9Å; T89-L123 HydrophobicContact CG2-CD1 4.17Å; K120-L123 HydrophobicContact CB-CD1 3.91Å; K120-L123 HydrophobicContact CB-CG 4.2Å; K120-L123 HydrophobicContact CD-CD1 4.08Å; K120-L123 WeakPolarHBondContact O-CB 3.47Å; K120-L123 PolarHBondContact O-N 2.85Å; A121-L123 PolarHBondContact O-N 2.86Å; L123-L171 CarbonylContact O-C 3.56Å; L123-L171 WeakPolarHBondContact O-CA 3.2Å; L123-L172 HydrophobicContact CB-CB 4.47Å; L123-L172 HydrophobicContact CB-CD1 4.17Å; L123-L172 HydrophobicContact CD1-CD1 4.06Å; L123-L172 PolarHBondContact O-N 3.46Å
124T93.2Very high84.3Confident19 Ų1948.7 Ų48.712%0.11726%0.263CS..THydrogen-bonded Turntrans-130.9-22.4-168.558.90000114.8V88 T89 A121 D122 K174V88-T124 HydrophobicContact CG2-CG2 3.82Å; T89-T124 HydrophobicContact CG2-CG2 3.62Å; A121-T124 PolarHBondContact O-N 3.45Å; A121-T124 PolarHBondContact O-OG1 3.3Å; D122-T124 VanDerWaalsContact C-N 3.29Å; T124-K174 HydrophobicContact CG2-CB 3.78Å; T124-K174 HydrophobicContact CG2-CG 4.18Å
125D90.3Very high81.8Confident45 Ų4554.7 Ų54.724%0.24130%0.296CS..  trans-127.5120.4-176.7-173.4-10.7000110.3A121 K127 A128A121-D125 PolarHBondContact O-N 3.19Å; D125-K127 PolarHBondContact O-N 3.34Å; D125-K127 VanDerWaalsContact O-N 3.15Å; D125-K127 WeakPolarHBondContact OD1-CB 3.21Å; D125-K127 WeakPolarHBondContact OD1-CG 3.47Å; D125-K127 PolarHBondContact OD1-N 3.05Å; D125-A128 WeakPolarHBondContact O-CB 3.37Å; D125-A128 PolarHBondContact O-N 2.87Å
126S87.7Confident79Confident69 Ų6958.1 Ų58.148%0.48333%0.332SS..G310 helixtrans-57.5-29.2177-55.20000113.5A128 H129S126-A128 PolarHBondContact O-N 3.22Å; S126-H129 WeakPolarHBondContact O-CB 3.23Å; S126-H129 PolarHBondContact O-N 3.5Å; S126-H129 VanDerWaalsContact O-N 3.11Å
127K87.6Confident75.9Confident136 Ų13665.9 Ų65.959%0.59137%0.372SS*.G310 helixtrans-63.5-30178.2-65.1174.7-176.4171.40112.1D125 H129 L130D125-K127 PolarHBondContact O-N 3.34Å; D125-K127 VanDerWaalsContact O-N 3.15Å; D125-K127 WeakPolarHBondContact OD1-CB 3.21Å; D125-K127 WeakPolarHBondContact OD1-CG 3.47Å; D125-K127 PolarHBondContact OD1-N 3.05Å; K127-H129 PolarHBondContact O-N 3.37Å; K127-L130 PolarHBondContact O-N 3.49Å
128A87.6Confident73.1Confident0 Ų071 Ų710%041%0.406CS..G310 helixtrans-73.4-9.4178.800000112.9A121 D122 D125 S126 T213 Y215A121-A128 HydrophobicContact CB-CB 4Å; D122-A128 HydrophobicContact CB-CB 4.29Å; D125-A128 WeakPolarHBondContact O-CB 3.37Å; D125-A128 PolarHBondContact O-N 2.87Å; S126-A128 PolarHBondContact O-N 3.22Å; A128-T213 WeakPolarHBondContact O-CB 3.46Å; A128-T213 VanDerWaalsContact O-CG2 3.26Å; A128-T213 WeakPolarHBondContact O-CG2 3.48Å; A128-T213 PolarHBondContact O-OG1 3.18Å; A128-Y215 HydrophobicContact CB-CD1 3.67Å; A128-Y215 HydrophobicContact CB-CD2 4.28Å; A128-Y215 HydrophobicContact CB-CE1 4.17Å; A128-Y215 HydrophobicContact CB-CG 3.72Å
129H80.9Confident70.3Confident43 Ų4379.5 Ų79.520%0.19945%0.445CS..G310 helixtrans-86.2-20.3174.5-64.1-59.8000114.6D122 S126 K127 C131D122-H129 PolarHBondContact O-CE1 3.33Å; D122-H129 PolarHBondContact O-NE2 3.42Å; S126-H129 WeakPolarHBondContact O-CB 3.23Å; S126-H129 PolarHBondContact O-N 3.5Å; S126-H129 VanDerWaalsContact O-N 3.11Å; K127-H129 PolarHBondContact O-N 3.37Å; H129-C131 PolarHBondContact O-N 2.95Å; H129-C131 VanDerWaalsContact O-N 3.16Å
130L68.5Low67.1Low148 Ų14885.9 Ų85.978%0.77548%0.479SS*.SBendtrans-72.7-9.6-168.4-69.1164.6000114K127K127-L130 PolarHBondContact O-N 3.49Å
131C59.9Low64.3Low63 Ų6393.9 Ų93.943%0.42651%0.508SS..  trans-101.943.1-178.6-55.60000112.4H129 D133H129-C131 PolarHBondContact O-N 2.95Å; H129-C131 VanDerWaalsContact O-N 3.16Å; C131-D133 PolarHBondContact O-N 2.94Å
132Q51.8Low61.2Low164 Ų16499.6 Ų99.677%0.76654%0.543SS*.  trans-67108.4168-74.9-172.34.700108.4S134Q132-S134 PolarHBondContact O-N 2.79Å
133D50.3Low58.1Low87 Ų87108.1 Ų108.147%0.46558%0.583SS.*  trans-48.1113.3164.6-67.9-42.2000107.6R30 C131 D135R30-D133 IonicContact CZ-OD2 3.96Å; R30-D133 IonicContact NH1-OD2 2.73Å; R30-D133 PolarHBondContact NH1-OD2 2.67Å; C131-D133 PolarHBondContact O-N 2.94Å; D133-D135 PolarHBondContact O-N 2.93Å
134S43.6Very low55Low125 Ų125111.2 Ų111.287%0.87461%0.607SS**  trans-67.980.7172.355.60000108.6Q132Q132-S134 PolarHBondContact O-N 2.79Å
135D43.2Very low51.9Low134 Ų134118.8 Ų118.872%0.71764%0.641SS**  trans-95.5104.6-177.1-126.52.5000110.1D133D133-D135 PolarHBondContact O-N 2.93Å
136G38.9Very low48.9Very low73 Ų73125.6 Ų125.675%0.75367%0.672SS**  trans103.880.2145.500000118.7
137L33Very low46Very low164 Ų164125.7 Ų125.786%0.85968%0.684SS**  trans-110.9124.6142.6-167.672.4000108E139L137-E139 PolarHBondContact O-N 3.13Å
138P40.6Very low43.2Very low108 Ų108130.5 Ų130.570%0.70170%0.698SS**  trans-68.3125.3169.927.4-28.8000108.6D140P138-D140 VanDerWaalsContact C-N 3.34Å; P138-D140 PolarHBondContact O-N 3.16Å
139E38.8Very low40.2Very low178 Ų178136.3 Ų136.383%0.83273%0.734SS**  trans-62.698.5160.5-69.2-169.5142.400107.6L137L137-E139 PolarHBondContact O-N 3.13Å
140D30.4Very low37.7Very low137 Ų137142.9 Ų142.973%0.73376%0.764SS**  trans-95.4107.6159.4-162.413.3000108.4P138P138-D140 VanDerWaalsContact C-N 3.34Å; P138-D140 PolarHBondContact O-N 3.16Å
141R38.4Very low35.7Very low220 Ų220141.5 Ų141.583%0.8376%0.763SS**  trans-80.1111165.1-72.7179.7177.7-173.9-1.4107.1
142T31.4Very low34.3Very low120 Ų120147 Ų14774%0.73678%0.782SS**  trans-143.1114.6152.66.60000109.5
143E30.9Very low33.4Very low185 Ų185144.6 Ų144.686%0.86478%0.778SS**  trans-72.3143.7163.8-65.9172.8149.300109.3
144C27.4Very low32.8Very low117 Ų117148.5 Ų148.579%0.79180%0.798SS**  154.1119.8128.5-78.60000112.1
145E28.7Very low32.2Very low179 Ų179148.3 Ų148.384%0.83680%0.796SS**  trans6.5146.4148.7-58.1-175.7127.700119.1
146E27.8Very low31.7Very low188 Ų188146.2 Ų146.288%0.87980%0.798SS**  176.4156.961.1-143171.7-159.400109.6
147G25.8Very low31.3Very low71 Ų71148.3 Ų148.373%0.73280%0.801SS**  trans107.280.9143.300000122.5
148R28.7Very low31.7Very low236 Ų236146 Ų14689%0.89180%0.796SS**  46.2138.7128.7-72.9-178.1177.1-172.4-0.2124.9
149T25.3Very low31.8Very low123 Ų123147 Ų14776%0.75580%0.8SS**  trans69136.9145.346.80000117.6
150E29.4Very low32.4Very low180 Ų180144.1 Ų144.184%0.84180%0.797SS**  cis-166.6169.926-124.3172.1-176.500110.8
151T26.5Very low33.1Very low120 Ų120143.4 Ų143.474%0.73680%0.8SS**  trans-61.3146.7-178.242.10000117.8
152H30.1Very low33.3Very low178 Ų178137.7 Ų137.782%0.82480%0.799SS**  trans-174.5130.6130.4-122.8-130.5000116.8
153V31.5Very low33.8Very low114 Ų114137 Ų13769%0.69180%0.799SS**  trans52.9133.8147.7-1190000126
154L37.6Very low34.3Very low169 Ų169134 Ų13489%0.88580%0.796SS**  trans-51.7137.8158-63158000113.9
155S31.6Very low34.8Very low120 Ų120134.6 Ų134.684%0.83980%0.796SS**  trans-154.7122.4148.7-173.80000110.2
156A33.7Very low35.6Very low90 Ų90130.2 Ų130.274%0.74479%0.785SS**  trans-80.9139.5175.900000110.7
157S29.9Very low36.5Very low118 Ų118129.9 Ų129.983%0.82579%0.788SS**  trans167.3173.3145.3-71.50000109.1
158P40.2Very low37.7Very low116 Ų116129.7 Ų129.775%0.75378%0.776SS**  -100.8174.4-83.524.1-3.4000111.8
159T43.7Very low38.9Very low129 Ų129123.8 Ų123.879%0.79176%0.762SS**  trans-31133.9172.532.60000115.4
160P52.1Low40.8Very low117 Ų117126 Ų12676%0.7677%0.766SS**  trans-70.1142.9168.829.1-31000110.3
161P45Very low43.1Very low122 Ų122121 Ų12179%0.79275%0.745SS**  trans-69.7152.7172.431.2-32.1000109.8S163P161-S163 PolarHBondContact O-N 2.71Å
162A41Very low45.8Very low99 Ų99119.7 Ų119.782%0.81873%0.733SS**  trans-33.7123.4179.100000113.7
163S41.9Very low48.7Very low105 Ų105118.6 Ų118.673%0.73473%0.728SS**  trans-51.3137.2160.3-21.80000108.4P161 T165P161-S163 PolarHBondContact O-N 2.71Å; S163-T165 PolarHBondContact O-N 2.65Å; S163-T165 VanDerWaalsContact O-N 3.14Å
164P42.9Very low51.7Low122 Ų122116.4 Ų116.479%0.79271%0.709SS**  trans-59.3125.2172.725.5-31000107.7S166P164-S166 PolarHBondContact O-N 3.37Å
165T38Very low54.5Low131 Ų131113 Ų11380%0.80469%0.688SS**  trans-45.4111.3172.5-380000108.4S163 L167S163-T165 PolarHBondContact O-N 2.65Å; S163-T165 VanDerWaalsContact O-N 3.14Å; T165-L167 PolarHBondContact O-N 2.93Å
166S44.3Very low57.5Low87 Ų87107.3 Ų107.361%0.60865%0.648SS**  trans-58.6115.1173.4-168.10000107.5P164 S168P164-S166 PolarHBondContact O-N 3.37Å; S166-S168 WeakPolarHBondContact CB-OG 3.38Å; S166-S168 PolarHBondContact O-N 3.27Å; S166-S168 WeakPolarHBondContact OG-CB 3.48Å; S166-S168 PolarHBondContact OG-OG 3.43Å
167L48.1Very low60.5Low180 Ų180104.7 Ų104.794%0.94263%0.627SS**  trans-71.428.6172.3-72.2167.5000111.6T165T165-L167 PolarHBondContact O-N 2.93Å
168S49.4Very low63.5Low68 Ų68104.8 Ų104.848%0.47661%0.609SS.*  trans-100.6125.5-176.860.50000109.8S166S166-S168 WeakPolarHBondContact CB-OG 3.38Å; S166-S168 PolarHBondContact O-N 3.27Å; S166-S168 WeakPolarHBondContact OG-CB 3.48Å; S166-S168 PolarHBondContact OG-OG 3.43Å
169D55.3Low66.2Low112 Ų112105.5 Ų105.560%0.59960%0.603SS**  trans88.448.3169.5-52.1-15.1000116.8L171D169-L171 PolarHBondContact O-N 3.34Å
170M64.1Low68.8Low170 Ų170101.9 Ų101.984%0.83758%0.578SS**  trans-76.4100.7150.9-70.8-117.274.400108.3L172M170-L172 PolarHBondContact O-N 3.38Å
171L77.3Confident70.9Confident74 Ų7496.3 Ų96.339%0.38754%0.542SS..PPolyproline II helixtrans-60.9122.6166.1-65.3176.8000108.5L123 D169L123-L171 CarbonylContact O-C 3.56Å; L123-L171 WeakPolarHBondContact O-CA 3.2Å; D169-L171 PolarHBondContact O-N 3.34Å
172L84.9Confident73.4Confident93 Ų9393.1 Ų93.149%0.48752%0.52SS..PPolyproline II helixtrans-68.9155.4169.4-66.3178.9000110.1T89 L123 M170 K174T89-L172 HydrophobicContact CG2-CB 4.14Å; T89-L172 HydrophobicContact CG2-CD1 4.17Å; L123-L172 HydrophobicContact CB-CB 4.47Å; L123-L172 HydrophobicContact CB-CD1 4.17Å; L123-L172 HydrophobicContact CD1-CD1 4.06Å; L123-L172 PolarHBondContact O-N 3.46Å; M170-L172 PolarHBondContact O-N 3.38Å; L172-K174 PolarHBondContact O-N 2.87Å
173H89.4Confident76Confident155 Ų15590.6 Ų90.672%0.71850%0.5SS*.PPolyproline II helixtrans-65.9120.5172.8-179.3-82.1000110.1Q175H173-Q175 PolarHBondContact O-N 2.73Å
174K94.3Very high78.7Confident67 Ų6785.7 Ų85.729%0.29147%0.465SS..PPolyproline II helixtrans-67.9118.6173-170.8167.6175.3174.80110T124 L172 V176 E208T124-K174 HydrophobicContact CG2-CB 3.78Å; T124-K174 HydrophobicContact CG2-CG 4.18Å; L172-K174 PolarHBondContact O-N 2.87Å; K174-V176 WeakPolarHBondContact CE-O 3.47Å; K174-V176 WeakPolarHBondContact CG-O 3.12Å; K174-E208 IonicContact NZ-OE1 2.66Å; K174-E208 PolarHBondContact NZ-OE1 3.32Å; K174-E208 IonicContact NZ-OE2 2.7Å; K174-E208 PolarHBondContact NZ-OE2 3.09Å
175Q96.6Very high81.3Confident98 Ų9880.3 Ų80.346%0.45843%0.429SS..  trans-92.6-27.5-178.6-65.7-17115.300112.7V88 T89 W91 H173V88-Q175 PolarHBondContact O-N 3Å; T89-Q175 WeakPolarHBondContact O-CG 3.43Å; T89-Q175 PolarHBondContact O-NE2 3.47Å; T89-Q175 PolarHBondContact O-OE1 3.16Å; W91-Q175 HydrophobicContact CB-CB 4.31Å; H173-Q175 PolarHBondContact O-N 2.73Å
176V96.3Very high84Confident0 Ų074.7 Ų74.70%040%0.397CS..SBendtrans-112.8116.1-178.7-179.40000109.3Y86 V88 W91 L94 K174 D180Y86-V176 HydrophobicContact CD2-CB 4.28Å; Y86-V176 HydrophobicContact CD2-CG1 4.09Å; Y86-V176 HydrophobicContact CD2-CG2 4.19Å; Y86-V176 HydrophobicContact CE2-CB 3.75Å; Y86-V176 HydrophobicContact CE2-CG1 3.36Å; Y86-V176 HydrophobicContact CE2-CG2 4.16Å; V88-V176 PolarHBondContact O-N 3.45Å; W91-V176 HydrophobicContact CE3-CG2 3.9Å; L94-V176 HydrophobicContact CB-CG2 4.14Å; L94-V176 HydrophobicContact CD1-CG1 4.25Å; L94-V176 HydrophobicContact CD2-CG1 3.78Å; L94-V176 HydrophobicContact CD2-CG2 4.5Å; L94-V176 HydrophobicContact CG-CG1 4.4Å; K174-V176 WeakPolarHBondContact CE-O 3.47Å; K174-V176 WeakPolarHBondContact CG-O 3.12Å; V176-D180 HydrophobicContact CG1-CB 4.18Å
177A95.4Very high86.5Confident35 Ų3575 Ų7529%0.28939%0.385SS..  trans-82.5166.6174.800000111.2E179 D180 A181A177-E179 WeakPolarHBondContact CB-OE2 3.49Å; A177-E179 PolarHBondContact O-N 3.38Å; A177-D180 WeakPolarHBondContact CA-OD2 3.11Å; A177-D180 VanDerWaalsContact CB-OD2 3.3Å; A177-D180 WeakPolarHBondContact CB-OD2 3.31Å; A177-D180 PolarHBondContact N-OD2 3.38Å; A177-D180 PolarHBondContact O-N 2.94Å; A177-A181 PolarHBondContact O-N 2.99Å
178R94.3Very high88.8Confident120 Ų12066.4 Ų66.445%0.45334%0.34SS..Hα-helixtrans-65.3-34.7178.6-175.7178.3-179.4-172.92110.8D180 A181 V182R178-D180 VanDerWaalsContact C-N 3.29Å; R178-D180 PolarHBondContact O-N 2.76Å; R178-A181 PolarHBondContact O-N 2.83Å; R178-V182 HydrophobicContact CG-CG2 4.44Å; R178-V182 WeakPolarHBondContact O-CG2 3.42Å; R178-V182 PolarHBondContact O-N 3.19Å
179E96.2Very high90.9Very high132 Ų13263.6 Ų63.662%0.61732%0.32SS*.Hα-helixtrans-62.6-37.1179.5-64.167-145.500111.3A177 V182 A183A177-E179 WeakPolarHBondContact CB-OE2 3.49Å; A177-E179 PolarHBondContact O-N 3.38Å; E179-V182 PolarHBondContact O-N 3.26Å; E179-A183 WeakPolarHBondContact O-CB 3.35Å; E179-A183 PolarHBondContact O-N 3.05Å
180D97.4Very high92.8Very high52 Ų5265.7 Ų65.728%0.27832%0.319SS..Hα-helixtrans-66.2-42.6177-57.4-52.5000111.4W91 L94 V176 A177 R178 A183 L184W91-D180 HydrophobicContact CH2-CB 4Å; W91-D180 HydrophobicContact CZ3-CB 3.83Å; W91-D180 VanDerWaalsContact CZ3-CG 3.47Å; W91-D180 WeakPolarHBondContact CZ3-OD2 3.32Å; L94-D180 HydrophobicContact CD2-CB 3.96Å; V176-D180 HydrophobicContact CG1-CB 4.18Å; A177-D180 WeakPolarHBondContact CA-OD2 3.11Å; A177-D180 VanDerWaalsContact CB-OD2 3.3Å; A177-D180 WeakPolarHBondContact CB-OD2 3.31Å; A177-D180 PolarHBondContact N-OD2 3.38Å; A177-D180 PolarHBondContact O-N 2.94Å; R178-D180 VanDerWaalsContact C-N 3.29Å; R178-D180 PolarHBondContact O-N 2.76Å; D180-A183 PolarHBondContact O-N 3.17Å; D180-L184 PolarHBondContact O-N 3.14Å
181A97Very high94.2Very high1 Ų163 Ų631%0.00830%0.301CS..Hα-helixtrans-63.4-46.817400000111.1Y86 L116 A177 R178 A183 L184 Y185Y86-A181 HydrophobicContact CE1-CB 4.25Å; Y86-A181 WeakPolarHBondContact OH-CB 3.25Å; L116-A181 HydrophobicContact CD1-CB 4.12Å; L116-A181 WeakPolarHBondContact CD1-O 3.41Å; A177-A181 PolarHBondContact O-N 2.99Å; R178-A181 PolarHBondContact O-N 2.83Å; A181-A183 VanDerWaalsContact C-N 3.28Å; A181-A183 PolarHBondContact O-N 3.01Å; A181-L184 PolarHBondContact O-N 3.01Å; A181-L184 VanDerWaalsContact O-N 3.17Å; A181-Y185 PolarHBondContact O-N 3.11Å
182V96.8Very high95Very high54 Ų5461.3 Ų61.333%0.32729%0.29SS..Hα-helixtrans-59.5-40.9176.8170.40000111.4R178 E179 Y185 G186 A202 C206R178-V182 HydrophobicContact CG-CG2 4.44Å; R178-V182 WeakPolarHBondContact O-CG2 3.42Å; R178-V182 PolarHBondContact O-N 3.19Å; E179-V182 PolarHBondContact O-N 3.26Å; V182-Y185 WeakPolarHBondContact O-CB 3.08Å; V182-Y185 PolarHBondContact O-N 2.84Å; V182-G186 PolarHBondContact O-N 2.89Å; V182-G186 VanDerWaalsContact O-N 3.09Å; V182-A202 HydrophobicContact CB-CB 4.34Å; V182-A202 HydrophobicContact CG1-CB 3.8Å; V182-A202 HydrophobicContact CG2-CB 4.02Å; V182-C206 HydrophobicContact CG2-CB 4.45Å
183A97.1Very high95.3Very high47 Ų4759.7 Ų59.739%0.38830%0.296SS..Hα-helixtrans-63.3-44.1176.100000111.8E179 D180 A181 Y185 G186 R187E179-A183 WeakPolarHBondContact O-CB 3.35Å; E179-A183 PolarHBondContact O-N 3.05Å; D180-A183 PolarHBondContact O-N 3.17Å; A181-A183 VanDerWaalsContact C-N 3.28Å; A181-A183 PolarHBondContact O-N 3.01Å; A183-Y185 VanDerWaalsContact C-N 3.34Å; A183-G186 PolarHBondContact O-N 3.45Å; A183-R187 PolarHBondContact O-N 3.21Å; A183-R187 VanDerWaalsContact O-N 3.15Å
184L97.4Very high95.2Very high1 Ų153.9 Ų53.91%0.00527%0.27CS..Hα-helixtrans-61.9-42.1174.517559.8000111.5L94 L97 E98 L116 D180 A181 G186 R187 I188L94-L184 HydrophobicContact CD1-CD2 3.58Å; L94-L184 HydrophobicContact CG-CD2 3.94Å; L97-L184 HydrophobicContact CB-CD2 4.1Å; L97-L184 HydrophobicContact CD1-CD2 4.21Å; E98-L184 HydrophobicContact CB-CD1 3.74Å; E98-L184 HydrophobicContact CG-CD1 4.07Å; E98-L184 WeakPolarHBondContact OE2-CD1 3.49Å; L116-L184 HydrophobicContact CD1-CB 3.97Å; L116-L184 HydrophobicContact CD1-CD2 4.04Å; L116-L184 HydrophobicContact CD1-CG 4Å; L116-L184 HydrophobicContact CD2-CD2 4.09Å; L116-L184 HydrophobicContact CD2-CG 4.49Å; D180-L184 PolarHBondContact O-N 3.14Å; A181-L184 PolarHBondContact O-N 3.01Å; A181-L184 VanDerWaalsContact O-N 3.17Å; L184-G186 VanDerWaalsContact C-N 3.32Å; L184-G186 PolarHBondContact O-N 3.29Å; L184-R187 WeakPolarHBondContact O-CB 3.48Å; L184-R187 PolarHBondContact O-N 3.4Å; L184-I188 HydrophobicContact CD1-CD1 4.16Å; L184-I188 HydrophobicContact CD1-CG1 4.18Å; L184-I188 HydrophobicContact CD2-CD1 4.47Å; L184-I188 HydrophobicContact CG-CD1 3.87Å; L184-I188 HydrophobicContact CG-CG1 4.38Å; L184-I188 WeakPolarHBondContact O-CG1 3.36Å; L184-I188 PolarHBondContact O-N 3.08Å
185Y97.2Very high94.7Very high10 Ų1056.4 Ų56.44%0.03929%0.287CS..Hα-helixtrans-57.6-45.4177.5-177.7-107.8000111.7Y114 A181 V182 A183 R187 I188 L189 L200 A202 M205Y114-Y185 WeakPolarHBondContact O-CE2 3.39Å; A181-Y185 PolarHBondContact O-N 3.11Å; V182-Y185 WeakPolarHBondContact O-CB 3.08Å; V182-Y185 PolarHBondContact O-N 2.84Å; A183-Y185 VanDerWaalsContact C-N 3.34Å; Y185-R187 VanDerWaalsContact C-N 3.32Å; Y185-R187 PolarHBondContact O-N 3.42Å; Y185-I188 WeakPolarHBondContact O-CB 3.38Å; Y185-I188 PolarHBondContact O-N 2.63Å; Y185-L189 HydrophobicContact CD1-CD1 4.15Å; Y185-L189 HydrophobicContact CD1-CG 4.45Å; Y185-L189 HydrophobicContact CE1-CD1 3.58Å; Y185-L189 HydrophobicContact CE1-CD2 4.42Å; Y185-L189 HydrophobicContact CE1-CG 4.06Å; Y185-L189 HydrophobicContact CE2-CD2 4.34Å; Y185-L189 HydrophobicContact CE2-CG 4.5Å; Y185-L189 WeakPolarHBondContact O-CG 3.4Å; Y185-L189 PolarHBondContact O-N 2.99Å; Y185-L200 WeakPolarHBondContact CE1-O 3.41Å; Y185-L200 PolarHBondContact OH-O 3.39Å; Y185-A202 HydrophobicContact CD1-CB 3.64Å; Y185-A202 HydrophobicContact CE1-CB 4.19Å; Y185-A202 HydrophobicContact CG-CB 4.45Å; Y185-M205 HydrophobicContact CD2-CB 4.31Å; Y185-M205 HydrophobicContact CE1-CB 4.27Å; Y185-M205 HydrophobicContact CE2-CB 3.74Å; Y185-M205 HydrophobicContact CE2-CG 4.2Å; Y185-M205 WeakPolarHBondContact OH-CG 3.47Å
186G95.8Very high93.7Very high13 Ų1356.9 Ų56.913%0.13429%0.289CS..Hα-helixtrans-60.5-38.517400000113.3V182 A183 L184 L189 R190V182-G186 PolarHBondContact O-N 2.89Å; V182-G186 VanDerWaalsContact O-N 3.09Å; A183-G186 PolarHBondContact O-N 3.45Å; L184-G186 VanDerWaalsContact C-N 3.32Å; L184-G186 PolarHBondContact O-N 3.29Å; G186-L189 PolarHBondContact O-N 2.88Å; G186-R190 WeakPolarHBondContact O-CG 3.37Å; G186-R190 PolarHBondContact O-N 3.35Å; G186-R190 VanDerWaalsContact O-N 3.16Å
187R96.3Very high92.7Very high92 Ų9267 Ų6735%0.34733%0.333SS..Hα-helixtrans-65.8-40.3174.7-67.2-166.5-59.6-85.16.2112.2E98 A183 L184 Y185 R190 Y191E98-R187 VanDerWaalsContact CD-NE 3.29Å; E98-R187 WeakPolarHBondContact OE1-CD 3.48Å; E98-R187 IonicContact OE1-CZ 3.95Å; E98-R187 IonicContact OE1-NE 2.84Å; E98-R187 PolarHBondContact OE1-NE 3.32Å; E98-R187 IonicContact OE2-CZ 2.8Å; E98-R187 VanDerWaalsContact OE2-CZ 3.24Å; E98-R187 IonicContact OE2-NE 2.79Å; E98-R187 PolarHBondContact OE2-NE 3.25Å; E98-R187 IonicContact OE2-NH2 2.86Å; E98-R187 PolarHBondContact OE2-NH2 2.95Å; A183-R187 PolarHBondContact O-N 3.21Å; A183-R187 VanDerWaalsContact O-N 3.15Å; L184-R187 WeakPolarHBondContact O-CB 3.48Å; L184-R187 PolarHBondContact O-N 3.4Å; Y185-R187 VanDerWaalsContact C-N 3.32Å; Y185-R187 PolarHBondContact O-N 3.42Å; R187-R190 PolarHBondContact O-N 3.38Å; R187-Y191 WeakPolarHBondContact O-CB 3.42Å; R187-Y191 PolarHBondContact O-N 2.83Å
188I95.8Very high91.8Very high1 Ų170 Ų701%0.00535%0.352CS..Hα-helixtrans-60.7-46.5175.5-68.6163.2000110.9L84 L102 Y114 L116 L184 Y185 R190 Y191 K192L84-I188 HydrophobicContact CD1-CD1 3.49Å; L84-I188 VanDerWaalsContact CD1-CD1 3.49Å; L84-I188 HydrophobicContact CD1-CG1 4.49Å; L102-I188 HydrophobicContact CD1-CB 4.4Å; L102-I188 HydrophobicContact CD1-CG1 4.03Å; L102-I188 HydrophobicContact CD1-CG2 3.96Å; L102-I188 HydrophobicContact CD2-CG1 4.22Å; Y114-I188 HydrophobicContact CD1-CG2 4.12Å; Y114-I188 HydrophobicContact CD2-CG2 4.43Å; Y114-I188 HydrophobicContact CG-CG2 4.01Å; L116-I188 HydrophobicContact CD2-CD1 3.79Å; L116-I188 HydrophobicContact CG-CD1 4.43Å; L184-I188 HydrophobicContact CD1-CD1 4.16Å; L184-I188 HydrophobicContact CD1-CG1 4.18Å; L184-I188 HydrophobicContact CD2-CD1 4.47Å; L184-I188 HydrophobicContact CG-CD1 3.87Å; L184-I188 HydrophobicContact CG-CG1 4.38Å; L184-I188 WeakPolarHBondContact O-CG1 3.36Å; L184-I188 PolarHBondContact O-N 3.08Å; Y185-I188 WeakPolarHBondContact O-CB 3.38Å; Y185-I188 PolarHBondContact O-N 2.63Å; I188-R190 VanDerWaalsContact C-N 3.33Å; I188-R190 PolarHBondContact O-N 3.12Å; I188-Y191 PolarHBondContact O-N 2.87Å; I188-K192 WeakPolarHBondContact O-CB 2.96Å; I188-K192 WeakPolarHBondContact O-CG 3.49Å; I188-K192 PolarHBondContact O-N 2.91Å
189L94.6Very high91.3Very high8 Ų865.4 Ų65.44%0.04234%0.338CS..Hα-helixtrans-58.8-45.5177.9-67.6-176.1000111.6Y185 G186 K192 G193 L194 E196Y185-L189 HydrophobicContact CD1-CD1 4.15Å; Y185-L189 HydrophobicContact CD1-CG 4.45Å; Y185-L189 HydrophobicContact CE1-CD1 3.58Å; Y185-L189 HydrophobicContact CE1-CD2 4.42Å; Y185-L189 HydrophobicContact CE1-CG 4.06Å; Y185-L189 HydrophobicContact CE2-CD2 4.34Å; Y185-L189 HydrophobicContact CE2-CG 4.5Å; Y185-L189 WeakPolarHBondContact O-CG 3.4Å; Y185-L189 PolarHBondContact O-N 2.99Å; G186-L189 PolarHBondContact O-N 2.88Å; L189-K192 CarbonylContact O-C 3.52Å; L189-K192 PolarHBondContact O-N 3.03Å; L189-G193 PolarHBondContact O-N 3.49Å; L189-G193 VanDerWaalsContact O-N 3.11Å; L189-L194 HydrophobicContact CB-CB 4.41Å; L189-L194 HydrophobicContact CD2-CB 4.03Å; L189-L194 HydrophobicContact CD2-CD1 3.8Å; L189-L194 PolarHBondContact O-N 2.59Å; L189-E196 HydrophobicContact CD1-CG 4.44Å
190R94.3Very high90.9Very high156 Ų15661.4 Ų61.459%0.58932%0.32SS*.Hα-helixtrans-63.2-44.5177-68.8177.3-158.1124.76.5112.4G186 R187 I188 K192 G193 E196G186-R190 WeakPolarHBondContact O-CG 3.37Å; G186-R190 PolarHBondContact O-N 3.35Å; G186-R190 VanDerWaalsContact O-N 3.16Å; R187-R190 PolarHBondContact O-N 3.38Å; I188-R190 VanDerWaalsContact C-N 3.33Å; I188-R190 PolarHBondContact O-N 3.12Å; R190-K192 PolarHBondContact O-N 3.07Å; R190-G193 PolarHBondContact O-N 3.34Å; R190-G193 VanDerWaalsContact O-N 3.08Å; R190-E196 IonicContact CZ-OE1 2.68Å; R190-E196 IonicContact NE-OE1 3.51Å; R190-E196 PolarHBondContact NE-OE1 3.28Å; R190-E196 IonicContact NH2-OE1 3.15Å; R190-E196 PolarHBondContact NH2-OE1 3.43Å
191Y94.9Very high90.5Very high114 Ų11461.9 Ų61.945%0.44733%0.326SS..Hα-helixtrans-58.3-39.1176.2176.1-95.2000111.6L102 D106 R187 I188 G193L102-Y191 HydrophobicContact CD1-CD1 3.76Å; L102-Y191 HydrophobicContact CD1-CE1 4.11Å; L102-Y191 HydrophobicContact CD2-CD1 3.68Å; L102-Y191 HydrophobicContact CD2-CD2 4.23Å; L102-Y191 HydrophobicContact CD2-CE1 4.19Å; L102-Y191 HydrophobicContact CD2-CG 3.69Å; L102-Y191 HydrophobicContact CG-CD1 3.54Å; L102-Y191 HydrophobicContact CG-CE1 3.67Å; L102-Y191 HydrophobicContact CG-CG 4.09Å; D106-Y191 WeakPolarHBondContact OD1-CE1 3.49Å; D106-Y191 PolarHBondContact OD1-OH 3.02Å; D106-Y191 PolarHBondContact OD2-OH 2.9Å; R187-Y191 WeakPolarHBondContact O-CB 3.42Å; R187-Y191 PolarHBondContact O-N 2.83Å; I188-Y191 PolarHBondContact O-N 2.87Å; Y191-G193 VanDerWaalsContact C-N 3.29Å; Y191-G193 PolarHBondContact O-N 2.83Å
192K93.8Very high90.1Very high38 Ų3862.8 Ų62.817%0.16533%0.334CS..THydrogen-bonded Turntrans-81.9-1178.1-65.8-61.6178.6179.60114.8T105 D106 Y114 I188 L189 R190 L194T105-K192 PolarHBondContact O-NZ 2.86Å; T105-K192 WeakPolarHBondContact OG1-CE 3.2Å; T105-K192 PolarHBondContact OG1-NZ 3.41Å; D106-K192 IonicContact OD1-NZ 2.7Å; D106-K192 PolarHBondContact OD1-NZ 3.3Å; Y114-K192 HydrophobicContact CE2-CG 3.96Å; Y114-K192 WeakPolarHBondContact OH-CD 3.41Å; Y114-K192 WeakPolarHBondContact OH-CE 3.43Å; I188-K192 WeakPolarHBondContact O-CB 2.96Å; I188-K192 WeakPolarHBondContact O-CG 3.49Å; I188-K192 PolarHBondContact O-N 2.91Å; L189-K192 CarbonylContact O-C 3.52Å; L189-K192 PolarHBondContact O-N 3.03Å; R190-K192 PolarHBondContact O-N 3.07Å; K192-L194 HydrophobicContact CB-CD1 4Å; K192-L194 HydrophobicContact CB-CG 3.86Å; K192-L194 PolarHBondContact O-N 2.75Å
193G91.4Very high89.6Confident59 Ų5965 Ų6561%0.60834%0.344SS*.THydrogen-bonded Turntrans6227.2-175.500000112.9L189 R190 Y191L189-G193 PolarHBondContact O-N 3.49Å; L189-G193 VanDerWaalsContact O-N 3.11Å; R190-G193 PolarHBondContact O-N 3.34Å; R190-G193 VanDerWaalsContact O-N 3.08Å; Y191-G193 VanDerWaalsContact C-N 3.29Å; Y191-G193 PolarHBondContact O-N 2.83Å
194L87.3Confident89.2Confident33 Ų3368 Ų6817%0.17335%0.348CS..  trans-87.6128.3177-64.8176.3000109.6Y114 L189 K192 E196Y114-L194 HydrophobicContact CD2-CD1 4.13Å; Y114-L194 HydrophobicContact CE2-CD1 4.01Å; L189-L194 HydrophobicContact CB-CB 4.41Å; L189-L194 HydrophobicContact CD2-CB 4.03Å; L189-L194 HydrophobicContact CD2-CD1 3.8Å; L189-L194 PolarHBondContact O-N 2.59Å; K192-L194 HydrophobicContact CB-CD1 4Å; K192-L194 HydrophobicContact CB-CG 3.86Å; K192-L194 PolarHBondContact O-N 2.75Å; L194-E196 PolarHBondContact O-N 3.14Å
195D82.6Confident89.1Confident121 Ų12168 Ų6865%0.64735%0.348SS*.  trans-65.6122.8178.3-75.8-32.8000110.7K197 S198 S199D195-K197 PolarHBondContact O-N 2.66Å; D195-K197 VanDerWaalsContact O-N 3.12Å; D195-S198 WeakPolarHBondContact CB-OG 3.36Å; D195-S198 PolarHBondContact O-N 3.18Å; D195-S198 PolarHBondContact O-OG 3.43Å; D195-S199 VanDerWaalsContact O-CB 3.25Å; D195-S199 WeakPolarHBondContact O-CB 3.43Å; D195-S199 PolarHBondContact O-N 3.18Å; D195-S199 PolarHBondContact O-OG 3.09Å
196E75.4Confident89.1Confident107 Ų10768 Ų6850%0.535%0.35SS..THydrogen-bonded Turntrans-58.6-28.5-179.5-71.8179.7-177.100113.1L189 R190 L194L189-E196 HydrophobicContact CD1-CG 4.44Å; R190-E196 IonicContact CZ-OE1 2.68Å; R190-E196 IonicContact NE-OE1 3.51Å; R190-E196 PolarHBondContact NE-OE1 3.28Å; R190-E196 IonicContact NH2-OE1 3.15Å; R190-E196 PolarHBondContact NH2-OE1 3.43Å; L194-E196 PolarHBondContact O-N 3.14Å
197K75.1Confident89.2Confident214 Ų21468.4 Ų68.493%0.9335%0.348SS*.THydrogen-bonded Turntrans-80-27.4-178.8-66.8-176.7-179.1178.20114.1D195D195-K197 PolarHBondContact O-N 2.66Å; D195-K197 VanDerWaalsContact O-N 3.12Å
198S77.6Confident89.3Confident97 Ų9765.4 Ų65.468%0.67834%0.338SS*.THydrogen-bonded Turntrans-98.8-18.217968.80000112.1D195D195-S198 WeakPolarHBondContact CB-OG 3.36Å; D195-S198 PolarHBondContact O-N 3.18Å; D195-S198 PolarHBondContact O-OG 3.43Å
199S84Confident89.3Confident24 Ų2465.3 Ų65.317%0.16834%0.337CS..SBendtrans-72.2159.7174.8-61.40000112D195D195-S199 VanDerWaalsContact O-CB 3.25Å; D195-S199 WeakPolarHBondContact O-CB 3.43Å; D195-S199 PolarHBondContact O-N 3.18Å; D195-S199 PolarHBondContact O-OG 3.09Å
200L87.3Confident89.5Confident47 Ų4765 Ų6525%0.24634%0.335CS..PPolyproline II helixtrans-67.7137.2176.7-67.8158.9000109.5I113 Y185 M205 L227I113-L200 HydrophobicContact CD1-CD1 4.01Å; I113-L200 HydrophobicContact CG1-CD1 4.06Å; I113-L200 HydrophobicContact CG2-CD1 3.8Å; Y185-L200 WeakPolarHBondContact CE1-O 3.41Å; Y185-L200 PolarHBondContact OH-O 3.39Å; L200-M205 HydrophobicContact CB-CE 3.95Å; L200-M205 HydrophobicContact CB-CG 3.66Å; L200-M205 HydrophobicContact CB-SD 4.06Å; L200-M205 HydrophobicContact CD1-CE 3.87Å; L200-M205 HydrophobicContact CD1-SD 3.96Å; L200-M205 HydrophobicContact CG-CE 4.33Å; L200-L227 HydrophobicContact CD1-CB 4.37Å; L200-L227 HydrophobicContact CD1-CD1 3.99Å; L200-L227 HydrophobicContact CD2-CD1 4.06Å; L200-L227 HydrophobicContact CD2-CD2 3.96Å
201P88.4Confident89.6Confident62 Ų6257.7 Ų57.740%0.40331%0.308SS..PPolyproline II helixtrans-71.7149.9-175.932.6-37.9000110.9D203 K204 M205P201-D203 WeakPolarHBondContact CB-OD1 3.39Å; P201-D203 WeakPolarHBondContact CG-OD1 3.43Å; P201-D203 PolarHBondContact O-N 3.21Å; P201-K204 HydrophobicContact CG-CB 4.43Å; P201-K204 HydrophobicContact CG-CD 4.07Å; P201-K204 HydrophobicContact CG-CG 4.13Å; P201-K204 PolarHBondContact O-N 2.91Å; P201-M205 PolarHBondContact O-N 3.02Å
202A88.8Confident89.6Confident21 Ų2157.6 Ų57.617%0.17431%0.311CS..Hα-helixtrans-62-29.8-172.400000113.2V182 Y185 K204 M205 C206V182-A202 HydrophobicContact CB-CB 4.34Å; V182-A202 HydrophobicContact CG1-CB 3.8Å; V182-A202 HydrophobicContact CG2-CB 4.02Å; Y185-A202 HydrophobicContact CD1-CB 3.64Å; Y185-A202 HydrophobicContact CE1-CB 4.19Å; Y185-A202 HydrophobicContact CG-CB 4.45Å; A202-K204 PolarHBondContact O-N 2.78Å; A202-M205 PolarHBondContact O-N 3.07Å; A202-M205 VanDerWaalsContact O-N 3.09Å; A202-C206 WeakPolarHBondContact O-CB 3.33Å; A202-C206 PolarHBondContact O-N 3.4Å
203D86.8Confident89.6Confident99 Ų9956.3 Ų56.353%0.52931%0.306SS..Hα-helixtrans-60.8-25.9175.567.2-40.8000113P201P201-D203 WeakPolarHBondContact CB-OD1 3.39Å; P201-D203 WeakPolarHBondContact CG-OD1 3.43Å; P201-D203 PolarHBondContact O-N 3.21Å
204K89.4Confident89.8Confident111 Ų11154.3 Ų54.348%0.48329%0.285SS..Hα-helixtrans-94.9-16.7175-64-172.1178.3-175.30113.7P201 A202 F207P201-K204 HydrophobicContact CG-CB 4.43Å; P201-K204 HydrophobicContact CG-CD 4.07Å; P201-K204 HydrophobicContact CG-CG 4.13Å; P201-K204 PolarHBondContact O-N 2.91Å; A202-K204 PolarHBondContact O-N 2.78Å; K204-F207 VanDerWaalsContact O-CE2 3.23Å; K204-F207 WeakPolarHBondContact O-CE2 3.4Å; K204-F207 WeakPolarHBondContact O-CZ 3.38Å
205M94.9Very high90.3Very high0 Ų055 Ų550%029%0.286CS..Hα-helixtrans-111.9-11.7-172.3-66.7-58.911400114.2I113 A115 L116 Y185 L200 P201 A202 T223 L224 L227I113-M205 HydrophobicContact CG2-SD 3.83Å; A115-M205 CarbonylContact C-O 3.59Å; A115-M205 VanDerWaalsContact CA-O 3.26Å; A115-M205 WeakPolarHBondContact CA-O 2.91Å; A115-M205 WeakPolarHBondContact CB-O 3.21Å; L116-M205 PolarHBondContact N-O 2.78Å; Y185-M205 HydrophobicContact CD2-CB 4.31Å; Y185-M205 HydrophobicContact CE1-CB 4.27Å; Y185-M205 HydrophobicContact CE2-CB 3.74Å; Y185-M205 HydrophobicContact CE2-CG 4.2Å; Y185-M205 WeakPolarHBondContact OH-CG 3.47Å; L200-M205 HydrophobicContact CB-CE 3.95Å; L200-M205 HydrophobicContact CB-CG 3.66Å; L200-M205 HydrophobicContact CB-SD 4.06Å; L200-M205 HydrophobicContact CD1-CE 3.87Å; L200-M205 HydrophobicContact CD1-SD 3.96Å; L200-M205 HydrophobicContact CG-CE 4.33Å; P201-M205 PolarHBondContact O-N 3.02Å; A202-M205 PolarHBondContact O-N 3.07Å; A202-M205 VanDerWaalsContact O-N 3.09Å; M205-T223 HydrophobicContact CE-CG2 4.4Å; M205-L224 HydrophobicContact SD-CD2 4.26Å; M205-L227 HydrophobicContact CE-CD1 3.2Å
206C97.4Very high90.9Very high11 Ų1151.8 Ų51.87%0.07427%0.268CS..EExtended strand (participates in β ladder)trans-106.9114.3174.7-60.90000109.9L116 V182 A202L116-C206 WeakPolarHBondContact O-CA 3.45Å; V182-C206 HydrophobicContact CG2-CB 4.45Å; A202-C206 WeakPolarHBondContact O-CB 3.33Å; A202-C206 PolarHBondContact O-N 3.4Å
207F97.4Very high92Very high22 Ų2246.7 Ų46.710%0.09625%0.245CC..EExtended strand (participates in β ladder)trans-116.4145.6-176.8-57.4-97.1000111A115 L116 V117 G118 K204 T209 V219 L220 T223A115-F207 HydrophobicContact CB-CE2 4.28Å; L116-F207 PolarHBondContact O-N 3.19Å; V117-F207 CarbonylContact C-O 3.48Å; V117-F207 WeakPolarHBondContact CA-O 3.44Å; V117-F207 HydrophobicContact CG2-CB 4.39Å; V117-F207 HydrophobicContact CG2-CD2 4.44Å; G118-F207 PolarHBondContact N-O 2.64Å; K204-F207 VanDerWaalsContact O-CE2 3.23Å; K204-F207 WeakPolarHBondContact O-CE2 3.4Å; K204-F207 WeakPolarHBondContact O-CZ 3.38Å; F207-T209 HydrophobicContact CB-CG2 4.17Å; F207-V219 HydrophobicContact CE1-CG1 4.34Å; F207-L220 HydrophobicContact CB-CD1 4.41Å; F207-L220 HydrophobicContact CD1-CB 4.22Å; F207-L220 HydrophobicContact CD1-CD1 4.37Å; F207-L220 HydrophobicContact CD2-CD1 3.46Å; F207-L220 VanDerWaalsContact CD2-CD1 3.46Å; F207-L220 HydrophobicContact CE1-CB 4.49Å; F207-L220 HydrophobicContact CE2-CD1 3.65Å; F207-L220 HydrophobicContact CG-CB 4.33Å; F207-L220 HydrophobicContact CG-CD1 3.84Å; F207-L220 HydrophobicContact CZ-CD1 4.18Å; F207-T223 HydrophobicContact CZ-CG2 4.03Å
208E97.3Very high92.9Very high28 Ų2838.7 Ų38.713%0.13121%0.212CC..EExtended strand (participates in β ladder)trans-109.7127.8161.7-70.7-176.7-160.200108.8G118 A121 K174 N216G118-E208 CarbonylContact O-C 3.46Å; G118-E208 VanDerWaalsContact O-CA 3.27Å; G118-E208 WeakPolarHBondContact O-CA 2.97Å; A121-E208 HydrophobicContact CB-CB 4.33Å; K174-E208 IonicContact NZ-OE1 2.66Å; K174-E208 PolarHBondContact NZ-OE1 3.32Å; K174-E208 IonicContact NZ-OE2 2.7Å; K174-E208 PolarHBondContact NZ-OE2 3.09Å; E208-N216 VanDerWaalsContact O-CB 3.26Å; E208-N216 WeakPolarHBondContact O-CB 3.49Å; E208-N216 PolarHBondContact O-ND2 3.14Å
209T97.7Very high93.8Very high0 Ų037.5 Ų37.50%020%0.201CC..  trans-133.6160.7-171.1600000111.5V117 G118 N119 K120 A121 F207 Y215 N216 L220V117-T209 HydrophobicContact CG1-CG2 3.91Å; V117-T209 WeakPolarHBondContact CG1-OG1 3.41Å; G118-T209 PolarHBondContact O-N 3.25Å; N119-T209 CarbonylContact C-O 3.57Å; N119-T209 WeakPolarHBondContact CA-O 3.38Å; N119-T209 PolarHBondContact OD1-O 2.9Å; K120-T209 PolarHBondContact N-O 2.82Å; A121-T209 WeakPolarHBondContact CB-O 3.25Å; A121-T209 PolarHBondContact N-O 3.43Å; F207-T209 HydrophobicContact CB-CG2 4.17Å; T209-Y215 CarbonylContact C-O 3.52Å; T209-Y215 VanDerWaalsContact CA-O 3.23Å; T209-Y215 WeakPolarHBondContact CA-O 3.3Å; T209-N216 HydrophobicContact CG2-CB 4.03Å; T209-L220 HydrophobicContact CG2-CB 4.38Å; T209-L220 HydrophobicContact CG2-CD2 4.21Å
210S97.4Very high94.4Very high0 Ų036.4 Ų36.40%019%0.193CC..  trans-130.3114.5164.1176.30000110D122 K212 T213 G214 Y215 V217D122-S210 VanDerWaalsContact OD1-CB 3.3Å; D122-S210 WeakPolarHBondContact OD1-CB 3.34Å; D122-S210 PolarHBondContact OD1-OG 3.07Å; S210-K212 PolarHBondContact O-N 3.33Å; S210-K212 WeakPolarHBondContact OG-CB 3.12Å; S210-K212 PolarHBondContact OG-N 3.36Å; S210-K212 VanDerWaalsContact OG-N 3.13Å; S210-T213 VanDerWaalsContact CB-OG1 3.25Å; S210-T213 WeakPolarHBondContact CB-OG1 3.35Å; S210-T213 PolarHBondContact OG-N 3.44Å; S210-T213 VanDerWaalsContact OG-N 3.12Å; S210-T213 PolarHBondContact OG-OG1 3.13Å; S210-G214 CarbonylContact O-C 3.57Å; S210-G214 VanDerWaalsContact O-CA 3.25Å; S210-G214 WeakPolarHBondContact O-CA 2.94Å; S210-G214 PolarHBondContact O-N 3.13Å; S210-Y215 PolarHBondContact N-O 2.95Å; S210-Y215 PolarHBondContact O-N 3.31Å; S210-V217 WeakPolarHBondContact O-CG2 3.35Å
211A96.4Very high94.9Very high3 Ų334.1 Ų34.13%0.02518%0.181CC..THydrogen-bonded Turntrans-60.6-29.2166.800000112.3L27 R30 F36 N119L27-A211 HydrophobicContact CD2-CB 3.91Å; L27-A211 HydrophobicContact CG-CB 4.04Å; R30-A211 WeakPolarHBondContact CG-O 3.49Å; R30-A211 PolarHBondContact NE-O 3.32Å; F36-A211 HydrophobicContact CD2-CB 4.16Å; F36-A211 WeakPolarHBondContact CD2-O 3.29Å; F36-A211 HydrophobicContact CE2-CB 4.18Å; N119-A211 PolarHBondContact OD1-N 2.85Å; N119-A211 VanDerWaalsContact OD1-N 3.12Å
212K94.8Very high95.2Very high113 Ų11334.9 Ų34.949%0.49118%0.179SC..THydrogen-bonded Turntrans-70.4-45.1-177-171.8-175.2-177.4-177.80111.5R30 F36 D122 S210R30-K212 PolarHBondContact NH2-O 2.92Å; F36-K212 HydrophobicContact CD1-CB 4.44Å; F36-K212 HydrophobicContact CD1-CG 4.05Å; F36-K212 HydrophobicContact CD2-CB 4.34Å; F36-K212 HydrophobicContact CE1-CB 4.35Å; F36-K212 HydrophobicContact CE1-CG 4.02Å; F36-K212 HydrophobicContact CE2-CB 4.24Å; F36-K212 HydrophobicContact CG-CB 4.43Å; F36-K212 HydrophobicContact CG-CG 4.44Å; F36-K212 HydrophobicContact CZ-CB 4.25Å; F36-K212 HydrophobicContact CZ-CG 4.39Å; D122-K212 WeakPolarHBondContact OD2-CD 3.3Å; S210-K212 PolarHBondContact O-N 3.33Å; S210-K212 WeakPolarHBondContact OG-CB 3.12Å; S210-K212 PolarHBondContact OG-N 3.36Å; S210-K212 VanDerWaalsContact OG-N 3.13Å
213T94.8Very high95.5Very high11 Ų1135.8 Ų35.87%0.06718%0.182CC..THydrogen-bonded Turntrans-104.2-9.3-176.565.90000113.4D122 A128 S210 Y215D122-T213 HydrophobicContact CB-CG2 3.96Å; A128-T213 WeakPolarHBondContact O-CB 3.46Å; A128-T213 VanDerWaalsContact O-CG2 3.26Å; A128-T213 WeakPolarHBondContact O-CG2 3.48Å; A128-T213 PolarHBondContact O-OG1 3.18Å; S210-T213 VanDerWaalsContact CB-OG1 3.25Å; S210-T213 WeakPolarHBondContact CB-OG1 3.35Å; S210-T213 PolarHBondContact OG-N 3.44Å; S210-T213 VanDerWaalsContact OG-N 3.12Å; S210-T213 PolarHBondContact OG-OG1 3.13Å; T213-Y215 PolarHBondContact O-N 3.39Å; T213-Y215 WeakPolarHBondContact OG1-CB 3.41Å; T213-Y215 PolarHBondContact OG1-N 2.89Å
214G95.4Very high95.8Very high16 Ų1631.2 Ų31.217%0.16516%0.158CC..  trans80.5-0.2-173.300000114.2S210 N216 V217S210-G214 CarbonylContact O-C 3.57Å; S210-G214 VanDerWaalsContact O-CA 3.25Å; S210-G214 WeakPolarHBondContact O-CA 2.94Å; S210-G214 PolarHBondContact O-N 3.13Å; G214-N216 PolarHBondContact O-N 3.15Å; G214-V217 PolarHBondContact O-N 3.44Å; G214-V217 VanDerWaalsContact O-N 3.08Å
215Y96.7Very high96Very high49 Ų4926 Ų2619%0.19214%0.135CC..THydrogen-bonded Turntrans-51.6122.4178.3-179.8-108000111.7A121 A128 T209 S210 T213 V217A121-Y215 HydrophobicContact CB-CD1 4.2Å; A121-Y215 HydrophobicContact CB-CE1 4.42Å; A128-Y215 HydrophobicContact CB-CD1 3.67Å; A128-Y215 HydrophobicContact CB-CD2 4.28Å; A128-Y215 HydrophobicContact CB-CE1 4.17Å; A128-Y215 HydrophobicContact CB-CG 3.72Å; T209-Y215 CarbonylContact C-O 3.52Å; T209-Y215 VanDerWaalsContact CA-O 3.23Å; T209-Y215 WeakPolarHBondContact CA-O 3.3Å; S210-Y215 PolarHBondContact N-O 2.95Å; S210-Y215 PolarHBondContact O-N 3.31Å; T213-Y215 PolarHBondContact O-N 3.39Å; T213-Y215 WeakPolarHBondContact OG1-CB 3.41Å; T213-Y215 PolarHBondContact OG1-N 2.89Å; Y215-V217 PolarHBondContact O-N 2.97Å
216N96.4Very high95.9Very high53 Ų5330.2 Ų30.228%0.28316%0.158SC..THydrogen-bonded Turntrans54.710.4-178.1-68.9-22.4000116.7E208 T209 G214 V219 L220E208-N216 VanDerWaalsContact O-CB 3.26Å; E208-N216 WeakPolarHBondContact O-CB 3.49Å; E208-N216 PolarHBondContact O-ND2 3.14Å; T209-N216 HydrophobicContact CG2-CB 4.03Å; G214-N216 PolarHBondContact O-N 3.15Å; N216-V219 PolarHBondContact O-N 2.73Å; N216-L220 WeakPolarHBondContact O-CB 3.47Å; N216-L220 PolarHBondContact O-N 3.33Å
217V97Very high95.5Very high0 Ų032.1 Ų32.10%017%0.167CC..Hα-helixtrans-66.9-47.7-177.7177.10000110.6L27 R30 Y31 S210 G214 Y215 V219 L220 F221L27-V217 HydrophobicContact CD2-CG2 3.79Å; R30-V217 HydrophobicContact CB-CG1 4.47Å; R30-V217 HydrophobicContact CG-CB 4.27Å; R30-V217 HydrophobicContact CG-CG1 4.06Å; R30-V217 HydrophobicContact CG-CG2 4Å; Y31-V217 HydrophobicContact CD2-CG1 4.48Å; S210-V217 WeakPolarHBondContact O-CG2 3.35Å; G214-V217 PolarHBondContact O-N 3.44Å; G214-V217 VanDerWaalsContact O-N 3.08Å; Y215-V217 PolarHBondContact O-N 2.97Å; V217-V219 PolarHBondContact O-N 2.9Å; V217-L220 WeakPolarHBondContact O-CB 3.44Å; V217-L220 PolarHBondContact O-N 3.06Å; V217-F221 HydrophobicContact CG1-CD2 4.08Å; V217-F221 HydrophobicContact CG1-CE2 4.02Å; V217-F221 VanDerWaalsContact O-CD2 3.32Å; V217-F221 WeakPolarHBondContact O-CD2 3.35Å; V217-F221 PolarHBondContact O-N 2.85Å
218D95.9Very high94.9Very high45 Ų4531.1 Ų31.124%0.24116%0.163CC..Hα-helixtrans-62.8-45.1176.6-67.8-49.3000112.3Y31 R34 L220 F221 E222Y31-D218 WeakPolarHBondContact CD2-OD1 3.45Å; R34-D218 IonicContact CZ-OD1 2.94Å; R34-D218 IonicContact CZ-OD2 2.65Å; R34-D218 IonicContact NH1-OD1 3.24Å; R34-D218 PolarHBondContact NH1-OD1 3.25Å; R34-D218 IonicContact NH1-OD2 3.2Å; R34-D218 PolarHBondContact NH1-OD2 2.97Å; R34-D218 IonicContact NH2-OD1 2.66Å; R34-D218 PolarHBondContact NH2-OD1 2.72Å; R34-D218 IonicContact NH2-OD2 2.73Å; R34-D218 PolarHBondContact NH2-OD2 3.18Å; D218-L220 PolarHBondContact O-N 2.91Å; D218-F221 PolarHBondContact O-N 3.27Å; D218-F221 VanDerWaalsContact O-N 3.13Å; D218-E222 WeakPolarHBondContact O-CB 3.47Å; D218-E222 WeakPolarHBondContact O-CG 3.3Å; D218-E222 PolarHBondContact O-N 3.11Å
219V96.3Very high94.3Very high73 Ų7330.2 Ų30.244%0.44216%0.159SC..Hα-helixtrans-54.7-44.3179.4-1790000110.7F207 N216 V217 T223F207-V219 HydrophobicContact CE1-CG1 4.34Å; N216-V219 PolarHBondContact O-N 2.73Å; V217-V219 PolarHBondContact O-N 2.9Å; V219-T223 WeakPolarHBondContact O-CB 3.4Å; V219-T223 PolarHBondContact O-N 2.9Å; V219-T223 PolarHBondContact O-OG1 3.32Å
220L96.8Very high93.5Very high0 Ų032.9 Ų32.90%018%0.176CC..Hα-helixtrans-57.5-56.7175.3166.665.5000111.9I83 V117 F207 T209 N216 V217 D218 L224I83-L220 HydrophobicContact CD1-CD1 4.44Å; I83-L220 HydrophobicContact CD1-CD2 4.47Å; V117-L220 HydrophobicContact CG1-CD2 4.04Å; V117-L220 HydrophobicContact CG2-CD1 3.55Å; V117-L220 HydrophobicContact CG2-CD2 3.66Å; V117-L220 HydrophobicContact CG2-CG 4.26Å; F207-L220 HydrophobicContact CB-CD1 4.41Å; F207-L220 HydrophobicContact CD1-CB 4.22Å; F207-L220 HydrophobicContact CD1-CD1 4.37Å; F207-L220 HydrophobicContact CD2-CD1 3.46Å; F207-L220 VanDerWaalsContact CD2-CD1 3.46Å; F207-L220 HydrophobicContact CE1-CB 4.49Å; F207-L220 HydrophobicContact CE2-CD1 3.65Å; F207-L220 HydrophobicContact CG-CB 4.33Å; F207-L220 HydrophobicContact CG-CD1 3.84Å; F207-L220 HydrophobicContact CZ-CD1 4.18Å; T209-L220 HydrophobicContact CG2-CB 4.38Å; T209-L220 HydrophobicContact CG2-CD2 4.21Å; N216-L220 WeakPolarHBondContact O-CB 3.47Å; N216-L220 PolarHBondContact O-N 3.33Å; V217-L220 WeakPolarHBondContact O-CB 3.44Å; V217-L220 PolarHBondContact O-N 3.06Å; D218-L220 PolarHBondContact O-N 2.91Å; L220-L224 HydrophobicContact CD1-CD1 3.68Å; L220-L224 HydrophobicContact CD1-CG 4.35Å; L220-L224 HydrophobicContact CG-CD1 4.37Å; L220-L224 VanDerWaalsContact O-CG 3.32Å; L220-L224 WeakPolarHBondContact O-CG 3.43Å; L220-L224 PolarHBondContact O-N 2.92Å; L220-L224 VanDerWaalsContact O-N 3.12Å
221F96.3Very high92.4Very high0 Ų034.2 Ų34.20%019%0.187CC..Hα-helixtrans-69.1-44.8-173-80.5-82.9000112.2F16 L28 Y31 I59 V217 D218 L224 F225F16-F221 AromaticContact CE2-CE1 3.8Å; F16-F221 HydrophobicContact CE2-CE1 3.8Å; F16-F221 AromaticContact CE2-CZ 3.77Å; F16-F221 HydrophobicContact CE2-CZ 3.77Å; F16-F221 AromaticContact CZ-CE1 3.76Å; F16-F221 HydrophobicContact CZ-CE1 3.76Å; F16-F221 HydrophobicContact CZ-CE2 4.25Å; F16-F221 AromaticContact CZ-CZ 3.36Å; F16-F221 HydrophobicContact CZ-CZ 3.36Å; L28-F221 HydrophobicContact CD1-CE1 4.16Å; L28-F221 HydrophobicContact CD1-CZ 4Å; Y31-F221 HydrophobicContact CD1-CB 4.14Å; Y31-F221 AromaticContact CD1-CD1 3.82Å; Y31-F221 HydrophobicContact CD1-CD1 3.82Å; Y31-F221 AromaticContact CD1-CD2 3.81Å; Y31-F221 HydrophobicContact CD1-CD2 3.81Å; Y31-F221 HydrophobicContact CD1-CE1 4.05Å; Y31-F221 HydrophobicContact CD1-CE2 4.07Å; Y31-F221 AromaticContact CD1-CG 3.67Å; Y31-F221 HydrophobicContact CD1-CG 3.67Å; Y31-F221 HydrophobicContact CD1-CZ 4.14Å; Y31-F221 HydrophobicContact CD2-CB 3.77Å; Y31-F221 AromaticContact CD2-CD2 3.53Å; Y31-F221 HydrophobicContact CD2-CD2 3.53Å; Y31-F221 HydrophobicContact CD2-CE2 4.27Å; Y31-F221 AromaticContact CD2-CG 3.79Å; Y31-F221 HydrophobicContact CD2-CG 3.79Å; Y31-F221 HydrophobicContact CE1-CB 3.9Å; Y31-F221 HydrophobicContact CE1-CD1 4.02Å; Y31-F221 HydrophobicContact CE1-CD2 4.44Å; Y31-F221 AromaticContact CE1-CG 3.89Å; Y31-F221 HydrophobicContact CE1-CG 3.89Å; Y31-F221 HydrophobicContact CE2-CB 3.49Å; Y31-F221 VanDerWaalsContact CE2-CB 3.49Å; Y31-F221 HydrophobicContact CE2-CD2 4.19Å; Y31-F221 AromaticContact CE2-CG 3.99Å; Y31-F221 HydrophobicContact CE2-CG 3.99Å; Y31-F221 HydrophobicContact CG-CB 4.09Å; Y31-F221 HydrophobicContact CG-CD1 4.21Å; Y31-F221 AromaticContact CG-CD2 3.32Å; Y31-F221 HydrophobicContact CG-CD2 3.32Å; Y31-F221 HydrophobicContact CG-CE1 4.44Å; Y31-F221 AromaticContact CG-CE2 3.64Å; Y31-F221 HydrophobicContact CG-CE2 3.64Å; Y31-F221 AromaticContact CG-CG 3.63Å; Y31-F221 HydrophobicContact CG-CG 3.63Å; Y31-F221 HydrophobicContact CG-CZ 4.15Å; I59-F221 HydrophobicContact CD1-CE1 4.48Å; V217-F221 HydrophobicContact CG1-CD2 4.08Å; V217-F221 HydrophobicContact CG1-CE2 4.02Å; V217-F221 VanDerWaalsContact O-CD2 3.32Å; V217-F221 WeakPolarHBondContact O-CD2 3.35Å; V217-F221 PolarHBondContact O-N 2.85Å; D218-F221 PolarHBondContact O-N 3.27Å; D218-F221 VanDerWaalsContact O-N 3.13Å; F221-L224 PolarHBondContact O-N 2.66Å; F221-F225 HydrophobicContact CB-CE2 4.19Å; F221-F225 HydrophobicContact CB-CZ 4.17Å; F221-F225 HydrophobicContact CD1-CE1 4.1Å; F221-F225 HydrophobicContact CD1-CE2 4.49Å; F221-F225 AromaticContact CD1-CZ 3.71Å; F221-F225 HydrophobicContact CD1-CZ 3.71Å; F221-F225 HydrophobicContact CG-CZ 4.4Å; F221-F225 WeakPolarHBondContact O-CB 3.43Å; F221-F225 WeakPolarHBondContact O-CD1 3.4Å; F221-F225 WeakPolarHBondContact O-CD2 3.37Å; F221-F225 WeakPolarHBondContact O-CG 3.33Å; F221-F225 PolarHBondContact O-N 3.45Å
222E95.1Very high91.1Very high78 Ų7835.2 Ų35.236%0.36419%0.192SC..Hα-helixtrans-64.5-43.5-179.7-64.8-176.4-175.700111W52 D218 L224 F225 D226W52-E222 HydrophobicContact CH2-CB 3.98Å; W52-E222 HydrophobicContact CH2-CG 3.64Å; W52-E222 HydrophobicContact CZ2-CB 4.41Å; W52-E222 HydrophobicContact CZ3-CG 3.97Å; D218-E222 WeakPolarHBondContact O-CB 3.47Å; D218-E222 WeakPolarHBondContact O-CG 3.3Å; D218-E222 PolarHBondContact O-N 3.11Å; E222-L224 VanDerWaalsContact C-N 3.31Å; E222-L224 PolarHBondContact O-N 2.98Å; E222-F225 PolarHBondContact O-N 3.13Å; E222-D226 WeakPolarHBondContact O-CB 3.37Å; E222-D226 PolarHBondContact O-N 2.68Å
223T94.9Very high89.9Confident40 Ų4032.2 Ų32.225%0.24518%0.181CC..Hα-helixtrans-57.9-44.8174.2-60.60000111.2M205 F207 V219 L227M205-T223 HydrophobicContact CE-CG2 4.4Å; F207-T223 HydrophobicContact CZ-CG2 4.03Å; V219-T223 WeakPolarHBondContact O-CB 3.4Å; V219-T223 PolarHBondContact O-N 2.9Å; V219-T223 PolarHBondContact O-OG1 3.32Å; T223-L227 HydrophobicContact CG2-CD1 3.74Å; T223-L227 WeakPolarHBondContact O-CB 3.39Å; T223-L227 WeakPolarHBondContact O-CD1 3.46Å; T223-L227 WeakPolarHBondContact O-CG 3.35Å; T223-L227 PolarHBondContact O-N 2.68Å; T223-L227 VanDerWaalsContact O-N 3.08Å
224L94.1Very high88.8Confident2 Ų239.1 Ų39.11%0.0121%0.206CC..Hα-helixtrans-68.5-37.6179.5-72176000112.8L14 I83 I113 A115 M205 L220 F221 E222 L227 A228L14-L224 HydrophobicContact CD1-CB 4.32Å; L14-L224 HydrophobicContact CD1-CD1 4.14Å; I83-L224 HydrophobicContact CD1-CD1 3.42Å; I83-L224 VanDerWaalsContact CD1-CD1 3.42Å; I83-L224 HydrophobicContact CG1-CD1 3.55Å; I113-L224 HydrophobicContact CG2-CD2 4.07Å; A115-L224 HydrophobicContact CB-CD1 4.13Å; A115-L224 HydrophobicContact CB-CD2 3.94Å; M205-L224 HydrophobicContact SD-CD2 4.26Å; L220-L224 HydrophobicContact CD1-CD1 3.68Å; L220-L224 HydrophobicContact CD1-CG 4.35Å; L220-L224 HydrophobicContact CG-CD1 4.37Å; L220-L224 VanDerWaalsContact O-CG 3.32Å; L220-L224 WeakPolarHBondContact O-CG 3.43Å; L220-L224 PolarHBondContact O-N 2.92Å; L220-L224 VanDerWaalsContact O-N 3.12Å; F221-L224 PolarHBondContact O-N 2.66Å; E222-L224 VanDerWaalsContact C-N 3.31Å; E222-L224 PolarHBondContact O-N 2.98Å; L224-L227 PolarHBondContact O-N 3.03Å; L224-A228 WeakPolarHBondContact O-CB 3.47Å; L224-A228 PolarHBondContact O-N 3.43Å
225F93.9Very high87.5Confident2 Ų242.1 Ų42.11%0.00921%0.214CC..Hα-helixtrans-67.4-44177.5-62.2-14.5000111.3L14 Y31 K50 W52 I57 I59 F221 E222 L227 A228 V229L14-F225 HydrophobicContact CD1-CE1 4.08Å; Y31-F225 AromaticContact CE1-CE2 3.8Å; Y31-F225 HydrophobicContact CE1-CE2 3.8Å; Y31-F225 HydrophobicContact CE1-CZ 4.05Å; Y31-F225 AromaticContact CZ-CE2 3.81Å; Y31-F225 VanDerWaalsContact OH-CE2 3.27Å; Y31-F225 WeakPolarHBondContact OH-CE2 3.31Å; K50-F225 HydrophobicContact CG-CE2 4.19Å; W52-F225 HydrophobicContact CB-CD2 4.3Å; W52-F225 HydrophobicContact CD2-CB 3.94Å; W52-F225 AromaticContact CD2-CD2 3.9Å; W52-F225 HydrophobicContact CD2-CD2 3.9Å; W52-F225 HydrophobicContact CD2-CG 4.42Å; W52-F225 AromaticContact CE3-CD2 3.91Å; W52-F225 HydrophobicContact CE3-CD2 3.91Å; W52-F225 HydrophobicContact CG-CB 3.81Å; W52-F225 HydrophobicContact CG-CD2 4.09Å; W52-F225 HydrophobicContact CG-CG 4.33Å; I57-F225 HydrophobicContact CD1-CB 3.73Å; I57-F225 HydrophobicContact CD1-CD1 3.31Å; I57-F225 HydrophobicContact CD1-CD2 3.77Å; I57-F225 HydrophobicContact CD1-CE1 3.79Å; I57-F225 HydrophobicContact CD1-CE2 4.17Å; I57-F225 HydrophobicContact CD1-CG 3.31Å; I57-F225 HydrophobicContact CD1-CZ 4.2Å; I57-F225 HydrophobicContact CG2-CD1 4.24Å; I57-F225 HydrophobicContact CG2-CE1 3.84Å; I57-F225 HydrophobicContact CG2-CZ 4.41Å; I59-F225 HydrophobicContact CD1-CE1 4.34Å; I59-F225 HydrophobicContact CD1-CZ 3.82Å; F221-F225 HydrophobicContact CB-CE2 4.19Å; F221-F225 HydrophobicContact CB-CZ 4.17Å; F221-F225 HydrophobicContact CD1-CE1 4.1Å; F221-F225 HydrophobicContact CD1-CE2 4.49Å; F221-F225 AromaticContact CD1-CZ 3.71Å; F221-F225 HydrophobicContact CD1-CZ 3.71Å; F221-F225 HydrophobicContact CG-CZ 4.4Å; F221-F225 WeakPolarHBondContact O-CB 3.43Å; F221-F225 WeakPolarHBondContact O-CD1 3.4Å; F221-F225 WeakPolarHBondContact O-CD2 3.37Å; F221-F225 WeakPolarHBondContact O-CG 3.33Å; F221-F225 PolarHBondContact O-N 3.45Å; E222-F225 PolarHBondContact O-N 3.13Å; F225-L227 VanDerWaalsContact C-N 3.25Å; F225-L227 PolarHBondContact O-N 3.02Å; F225-A228 PolarHBondContact O-N 3.38Å; F225-V229 VanDerWaalsContact O-CB 3.22Å; F225-V229 WeakPolarHBondContact O-CB 3.24Å; F225-V229 VanDerWaalsContact O-CG2 3.26Å; F225-V229 WeakPolarHBondContact O-CG2 3.22Å; F225-V229 PolarHBondContact O-N 3.13Å
226D91.6Very high86.1Confident88 Ų8844.6 Ų44.647%0.47122%0.223SC..Hα-helixtrans-66.6-26178.3-76.1-19.2000113.6W52 E222 P230W52-D226 VanDerWaalsContact CE2-OD1 3.31Å; W52-D226 VanDerWaalsContact CZ2-OD1 3.23Å; W52-D226 WeakPolarHBondContact CZ2-OD1 3.23Å; W52-D226 PolarHBondContact NE1-OD1 2.84Å; E222-D226 WeakPolarHBondContact O-CB 3.37Å; E222-D226 PolarHBondContact O-N 2.68Å; D226-P230 WeakPolarHBondContact O-CD 3.25Å; D226-P230 WeakPolarHBondContact O-CG 3.36Å
227L88.3Confident84.7Confident51 Ų5148.5 Ų48.527%0.26724%0.24SC..Hα-helixtrans-88.8-42.8176-66.5173000112.5I113 L200 M205 T223 L224 F225 A231I113-L227 HydrophobicContact CD1-CB 4.14Å; L200-L227 HydrophobicContact CD1-CB 4.37Å; L200-L227 HydrophobicContact CD1-CD1 3.99Å; L200-L227 HydrophobicContact CD2-CD1 4.06Å; L200-L227 HydrophobicContact CD2-CD2 3.96Å; M205-L227 HydrophobicContact CE-CD1 3.2Å; T223-L227 HydrophobicContact CG2-CD1 3.74Å; T223-L227 WeakPolarHBondContact O-CB 3.39Å; T223-L227 WeakPolarHBondContact O-CD1 3.46Å; T223-L227 WeakPolarHBondContact O-CG 3.35Å; T223-L227 PolarHBondContact O-N 2.68Å; T223-L227 VanDerWaalsContact O-N 3.08Å; L224-L227 PolarHBondContact O-N 3.03Å; F225-L227 VanDerWaalsContact C-N 3.25Å; F225-L227 PolarHBondContact O-N 3.02Å; L227-A231 WeakPolarHBondContact O-CB 3.31Å; L227-A231 PolarHBondContact O-N 2.91Å
228A84.8Confident83.3Confident1 Ų153.8 Ų53.81%0.00827%0.265CS..Hα-helixtrans-71.2-44.8-176.900000112.2V12 I113 L224 F225 A231 I232V12-A228 HydrophobicContact CG1-CB 4.16Å; I113-A228 HydrophobicContact CD1-CB 4.06Å; L224-A228 WeakPolarHBondContact O-CB 3.47Å; L224-A228 PolarHBondContact O-N 3.43Å; F225-A228 PolarHBondContact O-N 3.38Å; A228-A231 PolarHBondContact O-N 2.92Å; A228-I232 HydrophobicContact CB-CD1 4.32Å; A228-I232 WeakPolarHBondContact O-CD1 3.46Å; A228-I232 WeakPolarHBondContact O-CG1 3.23Å; A228-I232 PolarHBondContact O-N 3.42Å; A228-I232 VanDerWaalsContact O-N 3.11Å
229V85.4Confident81.7Confident9 Ų957.5 Ų57.56%0.05529%0.285CS..Hα-helixtrans-59.9-53.1-174.4166.90000111.6V12 Y55 I57 F225 A231 I232 L233V12-V229 HydrophobicContact CG2-CG2 3.89Å; Y55-V229 HydrophobicContact CD2-CG1 3.22Å; Y55-V229 HydrophobicContact CE2-CG1 3.43Å; Y55-V229 VanDerWaalsContact CE2-CG1 3.43Å; Y55-V229 HydrophobicContact CG-CG1 3.85Å; I57-V229 HydrophobicContact CD1-CG2 4.04Å; F225-V229 VanDerWaalsContact O-CB 3.22Å; F225-V229 WeakPolarHBondContact O-CB 3.24Å; F225-V229 VanDerWaalsContact O-CG2 3.26Å; F225-V229 WeakPolarHBondContact O-CG2 3.22Å; F225-V229 PolarHBondContact O-N 3.13Å; V229-A231 PolarHBondContact O-N 3.46Å; V229-I232 PolarHBondContact O-N 3.19Å; V229-L233 HydrophobicContact CG1-CD1 3.86Å; V229-L233 WeakPolarHBondContact O-CD1 3.18Å; V229-L233 VanDerWaalsContact O-CG 3.25Å; V229-L233 WeakPolarHBondContact O-CG 3.46Å; V229-L233 PolarHBondContact O-N 3.23Å; V229-L233 VanDerWaalsContact O-N 3.13Å
230P81.2Confident80Confident56 Ų5661.5 Ų61.536%0.36430%0.299SS..Hα-helixtrans-69.4-30.3-179.6-2135.9000114D226 I232 R234D226-P230 WeakPolarHBondContact O-CD 3.25Å; D226-P230 WeakPolarHBondContact O-CG 3.36Å; P230-I232 VanDerWaalsContact C-N 3.34Å; P230-R234 PolarHBondContact O-N 3.12Å; P230-R234 PolarHBondContact O-NE 3.22Å
231A74.3Confident78.1Confident28 Ų2865.3 Ų65.323%0.23133%0.33CS..Hα-helixtrans-64.2-41.4176.700000111.3L227 A228 V229 K235L227-A231 WeakPolarHBondContact O-CB 3.31Å; L227-A231 PolarHBondContact O-N 2.91Å; A228-A231 PolarHBondContact O-N 2.92Å; V229-A231 PolarHBondContact O-N 3.46Å; A231-K235 PolarHBondContact O-N 3.05Å
232I68.6Low75.9Confident25 Ų2569.3 Ų69.313%0.12836%0.358CS..Hα-helixtrans-75.5-35.2-178.8-62.9157.5000111.5V12 A80 A228 V229 P230 K235 R236V12-I232 HydrophobicContact CB-CD1 4.07Å; V12-I232 HydrophobicContact CG1-CD1 3.63Å; V12-I232 HydrophobicContact CG2-CD1 3.56Å; A80-I232 HydrophobicContact CB-CD1 3.24Å; A80-I232 HydrophobicContact CB-CG1 3.93Å; A228-I232 HydrophobicContact CB-CD1 4.32Å; A228-I232 WeakPolarHBondContact O-CD1 3.46Å; A228-I232 WeakPolarHBondContact O-CG1 3.23Å; A228-I232 PolarHBondContact O-N 3.42Å; A228-I232 VanDerWaalsContact O-N 3.11Å; V229-I232 PolarHBondContact O-N 3.19Å; P230-I232 VanDerWaalsContact C-N 3.34Å; I232-K235 PolarHBondContact O-N 2.91Å; I232-R236 PolarHBondContact O-N 3.02Å
233L70Confident73.6Confident49 Ų4970.3 Ų70.326%0.25737%0.371SS..Hα-helixtrans-64.2-43.8178.1-70.4165.2000112.6Y55 V229 K235 R236 Q237Y55-L233 HydrophobicContact CD1-CD2 4.35Å; Y55-L233 HydrophobicContact CE1-CD1 3.93Å; Y55-L233 HydrophobicContact CE1-CD2 3.46Å; Y55-L233 VanDerWaalsContact CE1-CD2 3.46Å; Y55-L233 HydrophobicContact CE1-CG 4.19Å; Y55-L233 HydrophobicContact CE2-CD1 3.73Å; Y55-L233 WeakPolarHBondContact OH-CD1 3.33Å; V229-L233 HydrophobicContact CG1-CD1 3.86Å; V229-L233 WeakPolarHBondContact O-CD1 3.18Å; V229-L233 VanDerWaalsContact O-CG 3.25Å; V229-L233 WeakPolarHBondContact O-CG 3.46Å; V229-L233 PolarHBondContact O-N 3.23Å; V229-L233 VanDerWaalsContact O-N 3.13Å; L233-K235 VanDerWaalsContact C-N 3.26Å; L233-K235 PolarHBondContact O-N 2.96Å; L233-R236 PolarHBondContact O-N 3.28Å; L233-Q237 PolarHBondContact O-N 3.32Å
234R72.8Confident71.8Confident156 Ų15674.9 Ų74.959%0.58940%0.399SS*.Hα-helixtrans-57.4-43.7175.5-77.3-176.3-82.3173.4-5.8111P230 Q237 E238P230-R234 PolarHBondContact O-N 3.12Å; P230-R234 PolarHBondContact O-NE 3.22Å; R234-Q237 WeakPolarHBondContact O-CB 3.42Å; R234-Q237 PolarHBondContact O-N 2.8Å; R234-E238 VanDerWaalsContact O-CG 3.31Å; R234-E238 WeakPolarHBondContact O-CG 3.35Å; R234-E238 PolarHBondContact O-N 2.88Å
235K67.5Low69.6Low80 Ų8080.4 Ų80.435%0.34843%0.433SS..Hα-helixtrans-70.7-36.2179.2-71.9-179.9-179.5-172.50114.5D111 A231 I232 L233 Q237 E238 N239D111-K235 WeakPolarHBondContact OD2-CD 3.49Å; D111-K235 VanDerWaalsContact OD2-CE 3.3Å; D111-K235 WeakPolarHBondContact OD2-CE 3.42Å; D111-K235 IonicContact OD2-NZ 3.5Å; D111-K235 PolarHBondContact OD2-NZ 3.24Å; A231-K235 PolarHBondContact O-N 3.05Å; I232-K235 PolarHBondContact O-N 2.91Å; L233-K235 VanDerWaalsContact C-N 3.26Å; L233-K235 PolarHBondContact O-N 2.96Å; K235-Q237 VanDerWaalsContact C-N 3.28Å; K235-Q237 PolarHBondContact O-N 3.38Å; K235-E238 PolarHBondContact O-N 3.06Å; K235-N239 VanDerWaalsContact O-CB 3.3Å; K235-N239 WeakPolarHBondContact O-CB 3.43Å; K235-N239 PolarHBondContact O-N 3.35Å
236R67.8Low67.2Low101 Ų10186.3 Ų86.338%0.38146%0.464SS..Hα-helixtrans-62.1-39.7171.5-78.4-169.7-177.4177.74.5111D11 I232 L233 Q240D11-R236 PolarHBondContact O-NH2 3.26Å; D11-R236 IonicContact OD1-NH1 3.2Å; D11-R236 PolarHBondContact OD1-NH1 3.09Å; I232-R236 PolarHBondContact O-N 3.02Å; L233-R236 PolarHBondContact O-N 3.28Å; R236-Q240 WeakPolarHBondContact O-CB 3.35Å; R236-Q240 VanDerWaalsContact O-CG 3.24Å; R236-Q240 WeakPolarHBondContact O-CG 3.43Å; R236-Q240 PolarHBondContact O-N 3.18Å
237Q66.4Low65.2Low135 Ų13589.3 Ų89.363%0.63148%0.479SS*.Hα-helixtrans-67.7-43.5175.1-75.7-180-10.900112.1L233 R234 K235 Q240 A241L233-Q237 PolarHBondContact O-N 3.32Å; R234-Q237 WeakPolarHBondContact O-CB 3.42Å; R234-Q237 PolarHBondContact O-N 2.8Å; K235-Q237 VanDerWaalsContact C-N 3.28Å; K235-Q237 PolarHBondContact O-N 3.38Å; Q237-Q240 PolarHBondContact O-N 3.11Å; Q237-A241 WeakPolarHBondContact O-CB 3.46Å; Q237-A241 PolarHBondContact O-N 3.41Å
238E66.7Low63.5Low110 Ų11094.8 Ų94.851%0.51450%0.504SS..Hα-helixtrans-63-43.6177.5-72.5163.3-174.300112.5R234 K235 Q240 A241 S242R234-E238 VanDerWaalsContact O-CG 3.31Å; R234-E238 WeakPolarHBondContact O-CG 3.35Å; R234-E238 PolarHBondContact O-N 2.88Å; K235-E238 PolarHBondContact O-N 3.06Å; E238-Q240 VanDerWaalsContact C-N 3.32Å; E238-Q240 PolarHBondContact O-N 3.3Å; E238-A241 PolarHBondContact O-N 3.22Å; E238-S242 PolarHBondContact O-N 3Å; E238-S242 PolarHBondContact O-OG 2.95Å
239N62.8Low61.6Low124 Ų124100.8 Ų100.866%0.66354%0.536SS*.Hα-helixtrans-69.4-27.8176-74-10.1000112.8K235 S242K235-N239 VanDerWaalsContact O-CB 3.3Å; K235-N239 WeakPolarHBondContact O-CB 3.43Å; K235-N239 PolarHBondContact O-N 3.35Å; N239-S242 CarbonylContact O-C 3.42Å
240Q61.5Low59.4Low157 Ų157111 Ų11173%0.73457%0.574SS**Hα-helixtrans-78.1-30.5171.9-78.1178.2-5.900112.4R236 Q237 E238R236-Q240 WeakPolarHBondContact O-CB 3.35Å; R236-Q240 VanDerWaalsContact O-CG 3.24Å; R236-Q240 WeakPolarHBondContact O-CG 3.43Å; R236-Q240 PolarHBondContact O-N 3.18Å; Q237-Q240 PolarHBondContact O-N 3.11Å; E238-Q240 VanDerWaalsContact C-N 3.32Å; E238-Q240 PolarHBondContact O-N 3.3Å
241A56.3Low57.5Low80 Ų80119.5 Ų119.566%0.66160%0.598SS**Hα-helixtrans-77.8-21.7175.800000113Q237 E238 P243Q237-A241 WeakPolarHBondContact O-CB 3.46Å; Q237-A241 PolarHBondContact O-N 3.41Å; E238-A241 PolarHBondContact O-N 3.22Å; A241-P243 VanDerWaalsContact C-CD 3.5Å; A241-P243 WeakPolarHBondContact O-CD 3.1Å
242S50.5Low56.2Low84 Ų84126.5 Ų126.559%0.58763%0.626SS**SBendtrans-120.272.1176.7-46.60000109.9E238 N239 T244E238-S242 PolarHBondContact O-N 3Å; E238-S242 PolarHBondContact O-OG 2.95Å; N239-S242 CarbonylContact O-C 3.42Å; S242-T244 PolarHBondContact O-N 3.18Å
243P46.8Very low55Low99 Ų99131.8 Ų131.864%0.64366%0.659SS**  trans-63.5113.417327.9-30.6000106.8A241 V245A241-P243 VanDerWaalsContact C-CD 3.5Å; A241-P243 WeakPolarHBondContact O-CD 3.1Å; P243-V245 PolarHBondContact O-N 3.42Å
244T55.7Low53.9Low135 Ų135134.9 Ų134.983%0.82869%0.685SS**  trans-51.2120.1169.2-29.60000106.9S242 D246S242-T244 PolarHBondContact O-N 3.18Å; T244-D246 PolarHBondContact O-N 3.07Å; T244-D246 VanDerWaalsContact O-N 3.07Å
245V48.5Very low52.4Low118 Ų118130.9 Ų130.972%0.71569%0.693SS**  trans-60.7115.2179.2-174.30000107.2P243 L247P243-V245 PolarHBondContact O-N 3.42Å; V245-L247 PolarHBondContact O-N 3.15Å
246D44.3Very low51.6Low127 Ų127137 Ų13768%0.67972%0.719SS**  trans-57.7111.2168.9-93.2-47.7000107.9T244 E248T244-D246 PolarHBondContact O-N 3.07Å; T244-D246 VanDerWaalsContact O-N 3.07Å; D246-E248 PolarHBondContact O-N 2.99Å
247L49.9Very low50.3Low150 Ų150144.5 Ų144.579%0.78575%0.748SS**G310 helixtrans-69.55.7178.7-107.6106.1000113.2V245 D249V245-L247 PolarHBondContact O-N 3.15Å; L247-D249 VanDerWaalsContact C-N 3.34Å
248E50.8Low48.9Very low167 Ų167141.6 Ų141.678%0.7875%0.753SS**G310 helixtrans-77.8-16-179.5-64.7-164.5147.700113.5D246D246-E248 PolarHBondContact O-N 2.99Å
249D44.8Very low48Very low127 Ų127146.8 Ų146.868%0.67977%0.774SS**G310 helixtrans-87.9-5.4-177.4-93.3-14.3000115.6L247 R251L247-D249 VanDerWaalsContact C-N 3.34Å; D249-R251 PolarHBondContact O-N 2.88Å
250W40Very low46.9Very low224 Ų224146.5 Ų146.585%0.84878%0.782SS**G310 helixtrans-83.8-6.1179.2-88.526.6000114.9
251R42.4Very low46.1Very low234 Ų234144.5 Ų144.588%0.88379%0.785SS**G310 helixtrans-85.8-2.4179.1-84.5-173.9175.9-179.90.9115.4D249D249-R251 PolarHBondContact O-N 2.88Å
252Q45.7Very low45.4Very low174 Ų174146 Ų14681%0.81379%0.789SS**SBendtrans-103.2-1.8-177-74.2-170.76.900116.1
253V43.8Very low44.8Very low136 Ų136151.6 Ų151.682%0.82483%0.827SS**SBendtrans-102-12.2-176.2-172.30000114.3
254S47.5Very low44.8Very low115 Ų115154.2 Ų154.280%0.80484%0.836SS**SBendtrans-110.671.5176.366.50000112.6
255G41.1Very low44.2Very low72 Ų72155.2 Ų155.274%0.74284%0.836SS**  trans-161.533.4-177.700000116.2
256K51Low43.9Very low209 Ų209157.3 Ų157.391%0.90984%0.843SS**  trans-118.397.2165.8-88.8-175.5178.6174.30110.3
257R40.3Very low43.9Very low258 Ų258159.1 Ų159.197%0.97485%0.852SS**  trans177.7123.2157.8-100.3172.4-172.7-1702.7104.8
258G37.2Very low43.5Very low73 Ų73159.6 Ų159.675%0.75386%0.857SS**  cis179.8142.40.100000104.1
259K47.4Very low43.1Very low219 Ų219159.1 Ų159.195%0.95286%0.862SS**  trans-62.4136.3175.4-81.8173.3170.4174.30110.5
260S39Very low42.9Very low118 Ų118161.4 Ų161.483%0.82588%0.875SS**  trans-155.5114.3140.554.70000110.2
261S44.9Very low43.2Very low115 Ų115156.6 Ų156.680%0.80488%0.877SS**  trans-76.8137.9160.5164.40000108.6
262C40.7Very low43.2Very low111 Ų111150.2 Ų150.275%0.7588%0.876SS**  173.8139.9126.1-105.40000112
263C39.9Very low43Very low202 Ų202148 Ų148100%1.36588%0.882SS**  trans410155.5-56.30000120.4

Retrieved 263 of 263 residues in 159.5 ms (Link to these results)

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