A0A096N276_PAPAN Loading...

ADP-ribosylation factor-like protein 11

May play a role in apoptosis. May act as a tumor suppressor.

AlphaFold DB (A0A2K5XIH2), UniProt , Accession A0A096N276, Species PAPAN (Papio anubis, Olive baboon), Gene ARL11, Length 196 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
1M38.9Very low41.2Very low249 Ų249134.6 Ų134.6100%1.22778%0.778SS**  088.50-66.7179.2-168.900107.7
2G32.8Very low44.1Very low74 Ų74133.2 Ų133.276%0.76376%0.759SS**  trans-92.3111.9176.600000108.9V4G2-V4 PolarHBondContact O-N 3.08Å
3S38.6Very low47.3Very low112 Ų112123.1 Ų123.178%0.78370%0.702SS**  trans-74.6104.9171.4-163.90000107.9N5S3-N5 PolarHBondContact O-N 2.97Å; S3-N5 VanDerWaalsContact O-N 3.1Å
4V42Very low50.2Low131 Ų131118 Ų11879%0.79467%0.669SS**  trans-73.699.6171.9-178.50000106.8G2 S6G2-V4 PolarHBondContact O-N 3.08Å; V4-S6 VanDerWaalsContact C-N 3.32Å; V4-S6 PolarHBondContact O-N 3.43Å
5N36.7Very low52.9Low134 Ų134110.1 Ų110.172%0.71762%0.624SS**  trans-63.495.4165.3-96.4-2.4000108.2S3 R7S3-N5 PolarHBondContact O-N 2.97Å; S3-N5 VanDerWaalsContact O-N 3.1Å; N5-R7 PolarHBondContact O-N 3.38Å
6S38.3Very low55.3Low109 Ų109103.3 Ų103.376%0.76259%0.585SS**  trans-67.183.8160.254.70000107.9V4 G8V4-S6 VanDerWaalsContact C-N 3.32Å; V4-S6 PolarHBondContact O-N 3.43Å; S6-G8 PolarHBondContact O-N 3.12Å
7R40.6Very low57.6Low215 Ų21597.3 Ų97.381%0.81155%0.551SS**  trans-61.592.9158.1-76.2-177.6-178.1174.41105.7N5 H9N5-R7 PolarHBondContact O-N 3.38Å; R7-H9 PolarHBondContact O-N 3.32Å
8G37Very low59.6Low67 Ų6791.9 Ų91.969%0.69152%0.521SS*.  trans-56.2112.1169.200000107S6 K10S6-G8 PolarHBondContact O-N 3.12Å; G8-K10 PolarHBondContact O-N 3.17Å
9H39.5Very low61.5Low189 Ų18987.1 Ų87.188%0.87549%0.493SS*.  trans-55.9106.5166.8-78.1-109.4000106.1R7 A11R7-H9 PolarHBondContact O-N 3.32Å; H9-A11 PolarHBondContact O-N 3.44Å
10K48.5Very low63.2Low134 Ų13483.2 Ų83.258%0.58347%0.471SS*.  trans-61107167.4-108.6177.9-171.6169.60105.4G8 E12 H56G8-K10 PolarHBondContact O-N 3.17Å; K10-E12 PolarHBondContact O-N 3.19Å; K10-H56 VanDerWaalsContact CD-O 3.24Å; K10-H56 WeakPolarHBondContact CD-O 3.32Å; K10-H56 WeakPolarHBondContact CE-O 3.4Å; K10-H56 PolarHBondContact NZ-O 3.46Å
11A60.6Low64.6Low67 Ų6781 Ų8155%0.55446%0.458SS*.  trans-59.9108.4171.500000107.5H9 R177H9-A11 PolarHBondContact O-N 3.44Å; A11-R177 PolarHBondContact O-NH2 3.05Å
12E75.6Confident67.2Low117 Ų11772.8 Ų72.855%0.54743%0.425SS..  trans-62.4135.8169-55.1-164.1128.600107.5K10 S58K10-E12 PolarHBondContact O-N 3.19Å; E12-S58 WeakPolarHBondContact CA-O 3.44Å; E12-S58 VanDerWaalsContact OE1-CB 3.27Å; E12-S58 WeakPolarHBondContact OE1-CB 3.16Å; E12-S58 PolarHBondContact OE1-OG 3.41Å
13A85.3Confident70.1Confident2 Ų269.3 Ų69.32%0.01739%0.389CS..EExtended strand (participates in β ladder)trans-92132.4176.800000109.5V15 S58 L59 T60 D82 L173A13-V15 PolarHBondContact O-N 3.31Å; A13-S58 PolarHBondContact N-O 2.56Å; A13-L59 HydrophobicContact CB-CD2 3.74Å; A13-T60 PolarHBondContact O-N 3.2Å; A13-D82 WeakPolarHBondContact CA-OD2 3.35Å; A13-D82 HydrophobicContact CB-CB 4.2Å; A13-L173 HydrophobicContact CB-CD1 4.15Å; A13-L173 HydrophobicContact CB-CD2 3.76Å
14Q88.1Confident72.7Confident52 Ų5264.6 Ų64.624%0.24336%0.359CS..EExtended strand (participates in β ladder)trans-85.8107178.1-172.7177.7-14.800109.3E79 G80 D82 T83Q14-E79 PolarHBondContact NE2-O 3.02Å; Q14-G80 PolarHBondContact OE1-O 3.23Å; Q14-D82 PolarHBondContact N-OD2 2.88Å; Q14-D82 WeakPolarHBondContact O-CA 3.49Å; Q14-D82 WeakPolarHBondContact O-CB 3.43Å; Q14-D82 PolarHBondContact O-N 2.91Å; Q14-T83 PolarHBondContact O-N 3.17Å
15V90.9Very high75.2Confident0 Ų058.9 Ų58.90%032%0.323CS..EExtended strand (participates in β ladder)trans-106.5122.6178.9-1770000108.4A13 L59 T60 L61 W62 T83 V85 L169A13-V15 PolarHBondContact O-N 3.31Å; V15-L59 HydrophobicContact CG2-CB 4.23Å; V15-L59 HydrophobicContact CG2-CD2 3.91Å; V15-L59 HydrophobicContact CG2-CG 4.45Å; V15-T60 PolarHBondContact N-O 3.11Å; V15-L61 HydrophobicContact CB-CG 4.21Å; V15-L61 HydrophobicContact CG1-CG 4.31Å; V15-L61 VanDerWaalsContact O-CA 3.28Å; V15-L61 WeakPolarHBondContact O-CA 3.4Å; V15-W62 PolarHBondContact O-N 2.67Å; V15-W62 VanDerWaalsContact O-N 3.12Å; V15-T83 HydrophobicContact CB-CG2 4.28Å; V15-T83 HydrophobicContact CG1-CG2 3.85Å; V15-T83 HydrophobicContact CG2-CG2 3.86Å; V15-V85 HydrophobicContact CG1-CB 4.49Å; V15-V85 HydrophobicContact CG1-CG2 3.64Å; V15-L169 HydrophobicContact CG1-CD1 4.27Å
16V92.2Very high77.7Confident0 Ų053.4 Ų53.40%030%0.295CS..EExtended strand (participates in β ladder)trans-103.7128.3177.3-176.90000109M18 W62 V64 T81 T83 V85V16-M18 HydrophobicContact CG1-CE 3.45Å; V16-M18 VanDerWaalsContact CG1-CE 3.45Å; V16-M18 HydrophobicContact CG1-CG 3.84Å; V16-M18 HydrophobicContact CG1-SD 4.4Å; V16-W62 HydrophobicContact CB-CB 4.48Å; V16-W62 HydrophobicContact CG1-CB 4.12Å; V16-W62 HydrophobicContact CG2-CB 4.27Å; V16-W62 HydrophobicContact CG2-CG 4.25Å; V16-V64 HydrophobicContact CG1-CG2 4.43Å; V16-T81 HydrophobicContact CB-CG2 4.18Å; V16-T81 HydrophobicContact CG2-CG2 3.93Å; V16-T81 VanDerWaalsContact CG2-OG1 3.31Å; V16-T81 WeakPolarHBondContact CG2-OG1 3.38Å; V16-T83 PolarHBondContact N-O 3.4Å; V16-V85 PolarHBondContact O-N 2.92Å
17M93.7Very high80.2Confident2 Ų249.4 Ų49.41%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-103.3114.7176.4-168.8-175.8-60.800109.7K25 L28 L61 W62 V64 V85 V87M17-K25 HydrophobicContact CG-CB 4.25Å; M17-K25 HydrophobicContact CG-CD 4.27Å; M17-K25 HydrophobicContact CG-CG 4.14Å; M17-K25 VanDerWaalsContact SD-CA 3.55Å; M17-K25 HydrophobicContact SD-CB 3.58Å; M17-K25 VanDerWaalsContact SD-CB 3.58Å; M17-K25 HydrophobicContact SD-CG 4Å; M17-L28 HydrophobicContact CE-CB 4.43Å; M17-L61 HydrophobicContact CE-CD2 3.67Å; M17-W62 CarbonylContact C-O 3.6Å; M17-W62 WeakPolarHBondContact CA-O 3.39Å; M17-W62 WeakPolarHBondContact CB-O 3.4Å; M17-W62 PolarHBondContact N-O 3Å; M17-V64 PolarHBondContact O-N 2.86Å; M17-V85 CarbonylContact C-O 3.54Å; M17-V85 VanDerWaalsContact CA-O 3.26Å; M17-V85 WeakPolarHBondContact CA-O 3.44Å; M17-V85 HydrophobicContact CG-CB 4.37Å; M17-V85 HydrophobicContact CG-CG1 4.26Å; M17-V87 HydrophobicContact CG-CG2 3.71Å; M17-V87 HydrophobicContact SD-CG2 3.77Å
18M94.5Very high82.5Confident0 Ų039.2 Ų39.20%023%0.227CC..EExtended strand (participates in β ladder)trans-127.4171.1178.6-58.1-168.3175.100111.3V16 V64 W74 L78 L84 V85 Y86 V87 V106V16-M18 HydrophobicContact CG1-CE 3.45Å; V16-M18 VanDerWaalsContact CG1-CE 3.45Å; V16-M18 HydrophobicContact CG1-CG 3.84Å; V16-M18 HydrophobicContact CG1-SD 4.4Å; M18-V64 HydrophobicContact CE-CG2 4.32Å; M18-W74 HydrophobicContact CB-CH2 4.45Å; M18-W74 HydrophobicContact CB-CZ3 4.35Å; M18-W74 HydrophobicContact CE-CB 4.11Å; M18-W74 HydrophobicContact CE-CG 4.5Å; M18-W74 WeakPolarHBondContact CE-O 3.34Å; M18-W74 HydrophobicContact SD-CB 4.12Å; M18-W74 HydrophobicContact SD-CD2 3.98Å; M18-W74 HydrophobicContact SD-CE3 3.83Å; M18-W74 HydrophobicContact SD-CG 4.16Å; M18-W74 HydrophobicContact SD-CZ3 4.5Å; M18-L78 HydrophobicContact CE-CD2 3.35Å; M18-L78 HydrophobicContact CE-CG 4.2Å; M18-L78 HydrophobicContact SD-CD2 4.09Å; M18-L84 HydrophobicContact CB-CD1 4.06Å; M18-L84 HydrophobicContact CG-CD1 3.91Å; M18-L84 HydrophobicContact SD-CD1 4.26Å; M18-V85 PolarHBondContact N-O 3.1Å; M18-Y86 HydrophobicContact CB-CD2 4.34Å; M18-Y86 CarbonylContact O-C 3.41Å; M18-Y86 WeakPolarHBondContact O-CA 3.37Å; M18-V87 PolarHBondContact O-N 2.76Å; M18-V106 HydrophobicContact SD-CG1 4.07Å; M18-V106 HydrophobicContact SD-CG2 3.87Å
19G95.4Very high85Confident0 Ų036.1 Ų36.10%020%0.195CC..  trans146.6164.8-17600000110.9K25 G66 W74 V87G19-K25 PolarHBondContact O-NZ 3.12Å; G19-G66 WeakPolarHBondContact O-CA 3.45Å; G19-W74 WeakPolarHBondContact O-CZ2 3.48Å; G19-V87 WeakPolarHBondContact CA-O 3.31Å
20L94.8Very high87.2Confident9 Ų930 Ų305%0.04717%0.165CC..  trans-59.7161.4178.9-55.5-170.6000111.7A23 K25 R95 E98 E102L20-A23 VanDerWaalsContact O-CB 3.29Å; L20-A23 WeakPolarHBondContact O-CB 3.41Å; L20-A23 PolarHBondContact O-N 3.47Å; L20-K25 PolarHBondContact O-NZ 3.15Å; L20-R95 HydrophobicContact CD1-CB 3.97Å; L20-E98 HydrophobicContact CD1-CB 4.34Å; L20-E98 HydrophobicContact CD1-CG 4.14Å; L20-E98 HydrophobicContact CD2-CG 4.32Å; L20-E102 HydrophobicContact CD2-CB 4.36Å; L20-E102 HydrophobicContact CD2-CG 3.82Å
21D92.6Very high89Confident38 Ų3826.6 Ų26.620%0.20315%0.15CC..THydrogen-bonded Turntrans-55.8149.6167.156.1-80.2000111.1A23 G66 Q67 R71 R95D21-A23 PolarHBondContact O-N 3.11Å; D21-G66 PolarHBondContact N-O 3.39Å; D21-G66 VanDerWaalsContact N-O 3.11Å; D21-Q67 HydrophobicContact CB-CG 3.8Å; D21-R71 IonicContact OD1-NH2 3.51Å; D21-R95 PolarHBondContact O-NH2 2.9Å; D21-R95 IonicContact OD1-NH1 3.46Å; D21-R95 PolarHBondContact OD1-NH1 3.05Å; D21-R95 IonicContact OD2-CZ 3.41Å; D21-R95 IonicContact OD2-NH1 2.68Å; D21-R95 PolarHBondContact OD2-NH1 2.87Å
22S92.9Very high90.1Very high76 Ų7625.3 Ų25.353%0.53113%0.133SC..THydrogen-bonded Turntrans65.12.2-178.7-50.90000116.4G24 K123S22-G24 PolarHBondContact O-N 3.15Å; S22-K123 VanDerWaalsContact O-CE 3.28Å; S22-K123 WeakPolarHBondContact O-CE 3.42Å; S22-K123 PolarHBondContact O-NZ 3.21Å
23A95.4Very high90.2Very high1 Ų122.3 Ų22.31%0.00812%0.119CC..SBendtrans-65.4-17.3173.800000114L20 D21 V87 N122L20-A23 VanDerWaalsContact O-CB 3.29Å; L20-A23 WeakPolarHBondContact O-CB 3.41Å; L20-A23 PolarHBondContact O-N 3.47Å; D21-A23 PolarHBondContact O-N 3.11Å; A23-V87 HydrophobicContact CB-CB 4.38Å; A23-V87 HydrophobicContact CB-CG1 4.07Å; A23-V87 WeakPolarHBondContact CB-O 3.29Å; A23-V87 WeakPolarHBondContact O-CG1 3.19Å; A23-N122 PolarHBondContact O-ND2 3.27Å
24G93.1Very high89.7Confident14 Ų1425.4 Ų25.414%0.14415%0.15CC..  trans9521.8176.500000115.6S22 T27 L28S22-G24 PolarHBondContact O-N 3.15Å; G24-T27 PolarHBondContact O-N 3.47Å; G24-L28 WeakPolarHBondContact O-CB 3.38Å; G24-L28 VanDerWaalsContact O-CG 3.32Å; G24-L28 WeakPolarHBondContact O-CG 3.39Å; G24-L28 PolarHBondContact O-N 3.2Å
25K92.9Very high88.8Confident11 Ų1127.2 Ų27.25%0.04816%0.159CC..Hα-helixtrans-54.5-54.6179-62.5-175-60.7-75.90113.5M17 G19 L20 T27 L28 L29 D63 V64 V87M17-K25 HydrophobicContact CG-CB 4.25Å; M17-K25 HydrophobicContact CG-CD 4.27Å; M17-K25 HydrophobicContact CG-CG 4.14Å; M17-K25 VanDerWaalsContact SD-CA 3.55Å; M17-K25 HydrophobicContact SD-CB 3.58Å; M17-K25 VanDerWaalsContact SD-CB 3.58Å; M17-K25 HydrophobicContact SD-CG 4Å; G19-K25 PolarHBondContact O-NZ 3.12Å; L20-K25 PolarHBondContact O-NZ 3.15Å; K25-T27 VanDerWaalsContact C-N 3.33Å; K25-T27 PolarHBondContact O-N 3.11Å; K25-L28 WeakPolarHBondContact O-CB 3.45Å; K25-L28 PolarHBondContact O-N 3.23Å; K25-L29 PolarHBondContact O-N 3.5Å; K25-D63 WeakPolarHBondContact CB-OD1 3.38Å; K25-D63 VanDerWaalsContact CE-OD1 3.3Å; K25-D63 WeakPolarHBondContact CE-OD1 3.16Å; K25-V64 WeakPolarHBondContact CE-O 3.43Å; K25-V87 HydrophobicContact CG-CB 3.83Å; K25-V87 HydrophobicContact CG-CG1 4.42Å; K25-V87 HydrophobicContact CG-CG2 3.93Å
26T89.3Confident87.6Confident19 Ų1935.7 Ų35.712%0.11720%0.198CC..Hα-helixtrans-62.5-40.3179.6-440000111.8L29 Y30 T40 T43 D63T26-L29 PolarHBondContact O-N 3.34Å; T26-Y30 HydrophobicContact CG2-CD2 4.01Å; T26-Y30 HydrophobicContact CG2-CE2 3.6Å; T26-Y30 VanDerWaalsContact O-CD2 3.3Å; T26-Y30 WeakPolarHBondContact O-CD2 3.49Å; T26-Y30 PolarHBondContact O-N 3.09Å; T26-T40 HydrophobicContact CG2-CG2 3.94Å; T26-T43 PolarHBondContact OG1-OG1 3.25Å; T26-D63 WeakPolarHBondContact CA-OD2 3.26Å; T26-D63 WeakPolarHBondContact CB-OD2 3.26Å; T26-D63 PolarHBondContact N-OD2 3.32Å; T26-D63 PolarHBondContact OG1-OD2 3.19Å
27T91.1Very high86.3Confident25 Ų2540.8 Ų40.815%0.15323%0.225CC..Hα-helixtrans-62.8-43.7175.3-420000111.4G24 K25 Y30 K31 L37 T40 A156G24-T27 PolarHBondContact O-N 3.47Å; K25-T27 VanDerWaalsContact C-N 3.33Å; K25-T27 PolarHBondContact O-N 3.11Å; T27-Y30 PolarHBondContact O-N 2.96Å; T27-K31 VanDerWaalsContact O-CB 3.32Å; T27-K31 WeakPolarHBondContact O-CB 3.18Å; T27-K31 PolarHBondContact O-N 3.35Å; T27-L37 HydrophobicContact CG2-CD1 4.24Å; T27-T40 PolarHBondContact OG1-OG1 3.4Å; T27-A156 HydrophobicContact CG2-CB 3.82Å
28L90.1Very high84.9Confident1 Ų143.7 Ų43.71%0.00524%0.242CC..Hα-helixtrans-60-46.2174.5-76.2168.2000111.2M17 G24 K25 Y30 K31 L32 V87 L120 A156 L162M17-L28 HydrophobicContact CE-CB 4.43Å; G24-L28 WeakPolarHBondContact O-CB 3.38Å; G24-L28 VanDerWaalsContact O-CG 3.32Å; G24-L28 WeakPolarHBondContact O-CG 3.39Å; G24-L28 PolarHBondContact O-N 3.2Å; K25-L28 WeakPolarHBondContact O-CB 3.45Å; K25-L28 PolarHBondContact O-N 3.23Å; L28-Y30 PolarHBondContact O-N 3.4Å; L28-K31 PolarHBondContact O-N 3.09Å; L28-L32 WeakPolarHBondContact O-CB 3.43Å; L28-L32 VanDerWaalsContact O-CG 3.26Å; L28-L32 WeakPolarHBondContact O-CG 3.29Å; L28-L32 PolarHBondContact O-N 3.21Å; L28-V87 HydrophobicContact CD1-CB 4.29Å; L28-V87 HydrophobicContact CD1-CG1 3.49Å; L28-V87 VanDerWaalsContact CD1-CG1 3.49Å; L28-V87 HydrophobicContact CD1-CG2 3.74Å; L28-L120 HydrophobicContact CD1-CD1 4.08Å; L28-A156 HydrophobicContact CB-CB 4.5Å; L28-A156 HydrophobicContact CD2-CB 3.57Å; L28-A156 HydrophobicContact CG-CB 3.66Å; L28-L162 HydrophobicContact CD2-CD1 4.43Å; L28-L162 HydrophobicContact CD2-CD2 3.42Å; L28-L162 VanDerWaalsContact CD2-CD2 3.42Å
29L87.6Confident83.7Confident1 Ų152.9 Ų52.91%0.00529%0.286CS..Hα-helixtrans-57.5-47.7179.3-178.862000111.7K25 T26 L32 K33 E49 L61 D63K25-L29 PolarHBondContact O-N 3.5Å; T26-L29 PolarHBondContact O-N 3.34Å; L29-L32 PolarHBondContact O-N 3.16Å; L29-K33 WeakPolarHBondContact O-CG 3.16Å; L29-K33 PolarHBondContact O-N 3.37Å; L29-E49 HydrophobicContact CD1-CB 4.16Å; L29-E49 HydrophobicContact CD2-CB 4.12Å; L29-E49 HydrophobicContact CD2-CG 3.9Å; L29-E49 HydrophobicContact CG-CB 4.48Å; L29-L61 HydrophobicContact CD1-CB 3.77Å; L29-L61 HydrophobicContact CD1-CD2 3.94Å; L29-L61 HydrophobicContact CD1-CG 4.36Å; L29-D63 HydrophobicContact CD2-CB 4.21Å
30Y86.1Confident82.6Confident62 Ų6255.7 Ų55.724%0.24330%0.302CS..Hα-helixtrans-67.2-39.8177.1-73.1-49.5000112.9T26 T27 L28 L32 K33 G34 H35 V38 T40T26-Y30 HydrophobicContact CG2-CD2 4.01Å; T26-Y30 HydrophobicContact CG2-CE2 3.6Å; T26-Y30 VanDerWaalsContact O-CD2 3.3Å; T26-Y30 WeakPolarHBondContact O-CD2 3.49Å; T26-Y30 PolarHBondContact O-N 3.09Å; T27-Y30 PolarHBondContact O-N 2.96Å; L28-Y30 PolarHBondContact O-N 3.4Å; Y30-L32 VanDerWaalsContact C-N 3.32Å; Y30-L32 PolarHBondContact O-N 3.09Å; Y30-K33 WeakPolarHBondContact O-CB 3.39Å; Y30-K33 PolarHBondContact O-N 3.35Å; Y30-K33 VanDerWaalsContact O-N 3.17Å; Y30-G34 PolarHBondContact O-N 3.14Å; Y30-H35 AromaticContact CD1-ND1 3.52Å; Y30-H35 WeakPolarHBondContact O-CB 3.38Å; Y30-H35 PolarHBondContact O-N 3.43Å; Y30-H35 VanDerWaalsContact O-N 3.08Å; Y30-V38 HydrophobicContact CD2-CB 4.26Å; Y30-V38 HydrophobicContact CD2-CG2 4.3Å; Y30-V38 HydrophobicContact CG-CG2 4.33Å; Y30-T40 HydrophobicContact CD2-CG2 4.39Å
31K87.6Confident81.7Confident61 Ų6162.4 Ų62.427%0.26534%0.338SS..Hα-helixtrans-61.3-42.1176.6-167.873.5173.5-160.10111.5T27 L28 K33 G34 A156 L157 T158 L162T27-K31 VanDerWaalsContact O-CB 3.32Å; T27-K31 WeakPolarHBondContact O-CB 3.18Å; T27-K31 PolarHBondContact O-N 3.35Å; L28-K31 PolarHBondContact O-N 3.09Å; K31-K33 VanDerWaalsContact C-N 3.28Å; K31-K33 PolarHBondContact O-N 3.4Å; K31-G34 PolarHBondContact O-N 3.4Å; K31-A156 WeakPolarHBondContact CD-O 3.29Å; K31-A156 WeakPolarHBondContact CG-O 3.36Å; K31-L157 PolarHBondContact NZ-O 3.28Å; K31-T158 WeakPolarHBondContact CE-O 3.42Å; K31-T158 PolarHBondContact NZ-O 2.73Å; K31-T158 VanDerWaalsContact NZ-O 3.11Å; K31-L162 HydrophobicContact CB-CD1 4.13Å; K31-L162 HydrophobicContact CG-CD1 3.57Å
32L82.8Confident80.7Confident41 Ų4164.8 Ų64.822%0.21536%0.355CS..Hα-helixtrans-64.9-31.3176.7-72.3174.2000112.7L28 L29 Y30 G34 L51 L162 L166L28-L32 WeakPolarHBondContact O-CB 3.43Å; L28-L32 VanDerWaalsContact O-CG 3.26Å; L28-L32 WeakPolarHBondContact O-CG 3.29Å; L28-L32 PolarHBondContact O-N 3.21Å; L29-L32 PolarHBondContact O-N 3.16Å; Y30-L32 VanDerWaalsContact C-N 3.32Å; Y30-L32 PolarHBondContact O-N 3.09Å; L32-G34 PolarHBondContact O-N 3.5Å; L32-L51 HydrophobicContact CB-CD1 3.98Å; L32-L51 HydrophobicContact CB-CD2 4.32Å; L32-L51 WeakPolarHBondContact O-CD1 3.03Å; L32-L162 HydrophobicContact CD2-CB 4.21Å; L32-L162 HydrophobicContact CD2-CD1 4.25Å; L32-L166 HydrophobicContact CD2-CD1 3.84Å; L32-L166 HydrophobicContact CD2-CD2 3.96Å; L32-L166 HydrophobicContact CD2-CG 3.9Å
33K78.7Confident79.6Confident54 Ų5463.1 Ų63.124%0.23534%0.342CS..THydrogen-bonded Turntrans-73.8-1.6172.8-73.7-176.2164.5-161.20114.2L29 Y30 K31 H35 E49 L51L29-K33 WeakPolarHBondContact O-CG 3.16Å; L29-K33 PolarHBondContact O-N 3.37Å; Y30-K33 WeakPolarHBondContact O-CB 3.39Å; Y30-K33 PolarHBondContact O-N 3.35Å; Y30-K33 VanDerWaalsContact O-N 3.17Å; K31-K33 VanDerWaalsContact C-N 3.28Å; K31-K33 PolarHBondContact O-N 3.4Å; K33-H35 PolarHBondContact O-N 3.18Å; K33-E49 IonicContact NZ-OE1 3.12Å; K33-E49 PolarHBondContact NZ-OE1 3.05Å; K33-E49 VanDerWaalsContact NZ-OE1 3.12Å; K33-E49 IonicContact NZ-OE2 2.6Å; K33-E49 PolarHBondContact NZ-OE2 3.2Å; K33-L51 HydrophobicContact CG-CD1 3.9Å
34G74.4Confident78.4Confident66 Ų6669.5 Ų69.568%0.6838%0.38SS*.THydrogen-bonded Turntrans73.716-175.900000113.5Y30 K31 L32Y30-G34 PolarHBondContact O-N 3.14Å; K31-G34 PolarHBondContact O-N 3.4Å; L32-G34 PolarHBondContact O-N 3.5Å
35H69.8Low77.2Confident91 Ų9170.3 Ų70.342%0.42139%0.389SS..PPolyproline II helixtrans-73.2146.3172-63.9-166.3000109.2Y30 K33Y30-H35 AromaticContact CD1-ND1 3.52Å; Y30-H35 WeakPolarHBondContact O-CB 3.38Å; Y30-H35 PolarHBondContact O-N 3.43Å; Y30-H35 VanDerWaalsContact O-N 3.08Å; K33-H35 PolarHBondContact O-N 3.18Å
36Q64.9Low75.9Confident178 Ų17875 Ų7583%0.83241%0.409SS*.PPolyproline II helixtrans-63.4161169.2-72.6-175.1-1.400110.3V38Q36-V38 VanDerWaalsContact O-CG2 3.23Å; Q36-V38 WeakPolarHBondContact O-CG2 3.44Å; Q36-V38 PolarHBondContact O-N 3.37Å
37L64.6Low75Confident107 Ų10776.1 Ų76.156%0.5642%0.415SS*.PPolyproline II helixtrans-48.7117.2-179.4-177.767.6000110.5T27 L157T27-L37 HydrophobicContact CG2-CD1 4.24Å; L37-L157 HydrophobicContact CD1-CD1 3.67Å; L37-L157 HydrophobicContact CD2-CD1 3.56Å; L37-L157 HydrophobicContact CG-CD1 4.27Å
38V64.7Low74Confident62 Ų6277.4 Ų77.438%0.37642%0.422SS..PPolyproline II helixtrans-103.7126.2176.6-172.10000107.7Y30 Q36 T40Y30-V38 HydrophobicContact CD2-CB 4.26Å; Y30-V38 HydrophobicContact CD2-CG2 4.3Å; Y30-V38 HydrophobicContact CG-CG2 4.33Å; Q36-V38 VanDerWaalsContact O-CG2 3.23Å; Q36-V38 WeakPolarHBondContact O-CG2 3.44Å; Q36-V38 PolarHBondContact O-N 3.37Å; V38-T40 PolarHBondContact O-N 3.34Å
39E69.6Low73.2Confident194 Ų19479.4 Ų79.491%0.90743%0.432SS*.PPolyproline II helixtrans-64.9119166-71.5-171.5161.300108.8
40T71.4Confident72.3Confident58 Ų5883.1 Ų83.136%0.35646%0.456SS..  trans-105.6128.2-17855.30000110.2T26 T27 Y30 V38T26-T40 HydrophobicContact CG2-CG2 3.94Å; T27-T40 PolarHBondContact OG1-OG1 3.4Å; Y30-T40 HydrophobicContact CD2-CG2 4.39Å; V38-T40 PolarHBondContact O-N 3.34Å
41L75.5Confident71.6Confident151 Ų15180.7 Ų80.779%0.79145%0.447SS*.PPolyproline II helixtrans-78.1161.4162.5-67.2175.9000109.9T43L41-T43 PolarHBondContact O-N 3.25Å; L41-T43 VanDerWaalsContact O-N 3.12Å
42P71.7Confident70.7Confident87 Ų8786.4 Ų86.457%0.56548%0.475SS*.PPolyproline II helixtrans-54.2121.9172.7-23.733.1000110.9V44 Q67P42-V44 PolarHBondContact O-N 2.7Å; P42-Q67 VanDerWaalsContact CB-NE2 3.28Å
43T71.4Confident69.4Low41 Ų4184.9 Ų84.925%0.25247%0.468SS..PPolyproline II helixtrans-66.9122.1-177.3-50.20000110.4T26 L41T26-T43 PolarHBondContact OG1-OG1 3.25Å; L41-T43 PolarHBondContact O-N 3.25Å; L41-T43 VanDerWaalsContact O-N 3.12Å
44V69Low68.2Low135 Ų13587 Ų8782%0.81849%0.488SS*.  trans-96.1110.3170.9-178.40000107.5P42P42-V44 PolarHBondContact O-N 2.7Å
45G67.5Low67.2Low31 Ų3187.1 Ų87.132%0.3249%0.488SS..SBendtrans100.3-149.8-17900000113.8G65G45-G65 PolarHBondContact O-N 3.35Å; G45-G65 VanDerWaalsContact O-N 3.14Å
46F65.4Low66.4Low109 Ų10989.7 Ų89.748%0.47850%0.5SS..EExtended strand (participates in β ladder)trans-125.8150.2-17871.2-87.4000111V48 W62 D63 Y77F46-V48 HydrophobicContact CD2-CG2 3.71Å; F46-V48 HydrophobicContact CE2-CG2 3.7Å; F46-W62 HydrophobicContact CD2-CE3 4.18Å; F46-W62 HydrophobicContact CD2-CZ3 4.11Å; F46-W62 HydrophobicContact CE2-CZ3 4.01Å; F46-D63 VanDerWaalsContact CA-O 3.28Å; F46-D63 WeakPolarHBondContact CA-O 3.47Å; F46-Y77 HydrophobicContact CB-CE1 4.44Å; F46-Y77 HydrophobicContact CD1-CE1 4.15Å; F46-Y77 WeakPolarHBondContact CD1-OH 3.3Å; F46-Y77 HydrophobicContact CD2-CE1 4.42Å; F46-Y77 HydrophobicContact CG-CE1 4.09Å
47N72.3Confident66.1Low44 Ų4483.7 Ų83.724%0.23548%0.475CS..EExtended strand (participates in β ladder)trans-123.8134.4174.5-170.134.3000110.4E49 W62 D63N47-E49 WeakPolarHBondContact ND2-CG 3.46Å; N47-E49 PolarHBondContact ND2-OE1 3.03Å; N47-W62 CarbonylContact O-C 3.51Å; N47-W62 WeakPolarHBondContact O-CA 3.39Å; N47-D63 HydrophobicContact CB-CB 4.31Å; N47-D63 PolarHBondContact N-O 3.06Å; N47-D63 PolarHBondContact O-N 3.39Å
48V70.1Confident66Low51 Ų5179.9 Ų79.931%0.30946%0.458SS..EExtended strand (participates in β ladder)trans-117.4121.1-179.8-1730000108.6F46 T60 L61 W62F46-V48 HydrophobicContact CD2-CG2 3.71Å; F46-V48 HydrophobicContact CE2-CG2 3.7Å; V48-T60 HydrophobicContact CG1-CG2 3.29Å; V48-L61 WeakPolarHBondContact CA-O 3.36Å; V48-W62 HydrophobicContact CG1-CD2 4.36Å; V48-W62 HydrophobicContact CG1-CH2 4.3Å; V48-W62 HydrophobicContact CG1-CZ2 4.11Å; V48-W62 HydrophobicContact CG2-CD2 3.91Å; V48-W62 HydrophobicContact CG2-CE3 3.34Å; V48-W62 HydrophobicContact CG2-CH2 3.73Å; V48-W62 HydrophobicContact CG2-CZ2 4.26Å; V48-W62 HydrophobicContact CG2-CZ3 3.24Å
49E71.5Confident66.3Low43 Ų4377.1 Ų77.120%0.20144%0.441CS..EExtended strand (participates in β ladder)trans-140.4125.9-171.6-69.6-70.5-144.700112.9L29 K33 N47 L61L29-E49 HydrophobicContact CD1-CB 4.16Å; L29-E49 HydrophobicContact CD2-CB 4.12Å; L29-E49 HydrophobicContact CD2-CG 3.9Å; L29-E49 HydrophobicContact CG-CB 4.48Å; K33-E49 IonicContact NZ-OE1 3.12Å; K33-E49 PolarHBondContact NZ-OE1 3.05Å; K33-E49 VanDerWaalsContact NZ-OE1 3.12Å; K33-E49 IonicContact NZ-OE2 2.6Å; K33-E49 PolarHBondContact NZ-OE2 3.2Å; N47-E49 WeakPolarHBondContact ND2-CG 3.46Å; N47-E49 PolarHBondContact ND2-OE1 3.03Å; E49-L61 PolarHBondContact N-O 3.1Å; E49-L61 PolarHBondContact O-N 2.92Å
50P69.8Low66.4Low80 Ų8069.2 Ų69.252%0.51941%0.406SS..EExtended strand (participates in β ladder)trans-71.2134.4170.829.4-31.8000110L59P50-L59 CarbonylContact C-O 3.56Å; P50-L59 WeakPolarHBondContact CA-O 3.31Å
51L70.3Confident66.6Low10 Ų1066.6 Ų66.65%0.05239%0.39CS..EExtended strand (participates in β ladder)trans-116.3115.2170.3-172.979000108.6L32 K33 A53 L59 L61 L166L32-L51 HydrophobicContact CB-CD1 3.98Å; L32-L51 HydrophobicContact CB-CD2 4.32Å; L32-L51 WeakPolarHBondContact O-CD1 3.03Å; K33-L51 HydrophobicContact CG-CD1 3.9Å; L51-A53 PolarHBondContact O-N 3.14Å; L51-L59 HydrophobicContact CB-CB 4.37Å; L51-L59 HydrophobicContact CD2-CD1 4.44Å; L51-L59 PolarHBondContact N-O 3.2Å; L51-L59 PolarHBondContact O-N 3.4Å; L51-L59 VanDerWaalsContact O-N 3.07Å; L51-L61 HydrophobicContact CB-CD1 3.74Å; L51-L61 HydrophobicContact CD2-CD1 4.23Å; L51-L166 HydrophobicContact CD2-CD2 4.33Å
52E68.8Low66.7Low181 Ų18162.2 Ų62.285%0.84636%0.363SS*.EExtended strand (participates in β ladder)trans-8398.5170.8-66.1-164.3169.800109.5
53A57Low67Low9 Ų958.1 Ų58.17%0.07434%0.336CS..EExtended strand (participates in β ladder)trans-82.1143.7178.100000111L51 G55 H56 V57L51-A53 PolarHBondContact O-N 3.14Å; A53-G55 PolarHBondContact O-N 2.87Å; A53-H56 PolarHBondContact O-N 2.7Å; A53-V57 PolarHBondContact N-O 2.79Å
54P52Low67.3Low100 Ų10056.2 Ų56.265%0.64933%0.325SS*.THydrogen-bonded Turntrans-53.2125.5173-26.131000111.4R170P54-R170 PolarHBondContact O-NH1 2.58Å; P54-R170 VanDerWaalsContact O-NH1 3.14Å; P54-R170 PolarHBondContact O-NH2 2.88Å
55G54.9Low67.7Low67 Ų6750 Ų5069%0.69129%0.287SS*.THydrogen-bonded Turntrans97.718.2-167.200000113.9A53 V57A53-G55 PolarHBondContact O-N 2.87Å; G55-V57 VanDerWaalsContact C-N 3.33Å; G55-V57 PolarHBondContact O-N 2.97Å
56H52.9Low68.4Low145 Ų14548.7 Ų48.767%0.67127%0.274SS*.THydrogen-bonded Turntrans72.520.7155.4-89.710.8000114.9K10 A53K10-H56 VanDerWaalsContact CD-O 3.24Å; K10-H56 WeakPolarHBondContact CD-O 3.32Å; K10-H56 WeakPolarHBondContact CE-O 3.4Å; K10-H56 PolarHBondContact NZ-O 3.46Å; A53-H56 PolarHBondContact O-N 2.7Å
57V57.9Low69.3Low52 Ų5246.7 Ų46.732%0.31527%0.266SS..EExtended strand (participates in β ladder)trans-96.8118.6174.1-175.60000108.3A53 G55 L59A53-V57 PolarHBondContact N-O 2.79Å; G55-V57 VanDerWaalsContact C-N 3.33Å; G55-V57 PolarHBondContact O-N 2.97Å; V57-L59 HydrophobicContact CG1-CD2 3.54Å; V57-L59 HydrophobicContact CG1-CG 4.08Å
58S63.2Low70Confident28 Ų2847.6 Ų47.620%0.19628%0.28CS..EExtended strand (participates in β ladder)trans-80.7121.4167.2-176.30000107.4E12 A13E12-S58 WeakPolarHBondContact CA-O 3.44Å; E12-S58 VanDerWaalsContact OE1-CB 3.27Å; E12-S58 WeakPolarHBondContact OE1-CB 3.16Å; E12-S58 PolarHBondContact OE1-OG 3.41Å; A13-S58 PolarHBondContact N-O 2.56Å
59L70.6Confident70.7Confident4 Ų450.4 Ų50.42%0.02130%0.299CS..EExtended strand (participates in β ladder)trans-113.8126.8176.2-58.2174.3000108A13 V15 P50 L51 V57 L61 L169 L173A13-L59 HydrophobicContact CB-CD2 3.74Å; V15-L59 HydrophobicContact CG2-CB 4.23Å; V15-L59 HydrophobicContact CG2-CD2 3.91Å; V15-L59 HydrophobicContact CG2-CG 4.45Å; P50-L59 CarbonylContact C-O 3.56Å; P50-L59 WeakPolarHBondContact CA-O 3.31Å; L51-L59 HydrophobicContact CB-CB 4.37Å; L51-L59 HydrophobicContact CD2-CD1 4.44Å; L51-L59 PolarHBondContact N-O 3.2Å; L51-L59 PolarHBondContact O-N 3.4Å; L51-L59 VanDerWaalsContact O-N 3.07Å; V57-L59 HydrophobicContact CG1-CD2 3.54Å; V57-L59 HydrophobicContact CG1-CG 4.08Å; L59-L61 HydrophobicContact CB-CD1 3.76Å; L59-L169 HydrophobicContact CD1-CD2 4.02Å; L59-L173 HydrophobicContact CD2-CD1 3.67Å
60T71.8Confident71.3Confident27 Ų2750.6 Ų50.617%0.16630%0.301CS..EExtended strand (participates in β ladder)trans-92.2113170-53.90000107.7A13 V15 V48A13-T60 PolarHBondContact O-N 3.2Å; V15-T60 PolarHBondContact N-O 3.11Å; V48-T60 HydrophobicContact CG1-CG2 3.29Å
61L75.1Confident72Confident3 Ų348 Ų482%0.01628%0.281CS..EExtended strand (participates in β ladder)trans-95.7126.2176.3-78.984.9000110.5V15 M17 L29 V48 E49 L51 L59V15-L61 HydrophobicContact CB-CG 4.21Å; V15-L61 HydrophobicContact CG1-CG 4.31Å; V15-L61 VanDerWaalsContact O-CA 3.28Å; V15-L61 WeakPolarHBondContact O-CA 3.4Å; M17-L61 HydrophobicContact CE-CD2 3.67Å; L29-L61 HydrophobicContact CD1-CB 3.77Å; L29-L61 HydrophobicContact CD1-CD2 3.94Å; L29-L61 HydrophobicContact CD1-CG 4.36Å; V48-L61 WeakPolarHBondContact CA-O 3.36Å; E49-L61 PolarHBondContact N-O 3.1Å; E49-L61 PolarHBondContact O-N 2.92Å; L51-L61 HydrophobicContact CB-CD1 3.74Å; L51-L61 HydrophobicContact CD2-CD1 4.23Å; L59-L61 HydrophobicContact CB-CD1 3.76Å
62W77.3Confident72.8Confident59 Ų5951.7 Ų51.722%0.22331%0.313CS..EExtended strand (participates in β ladder)trans-100.4109.2173.1-59.978.9000109V15 V16 M17 F46 N47 V48 Y77V15-W62 PolarHBondContact O-N 2.67Å; V15-W62 VanDerWaalsContact O-N 3.12Å; V16-W62 HydrophobicContact CB-CB 4.48Å; V16-W62 HydrophobicContact CG1-CB 4.12Å; V16-W62 HydrophobicContact CG2-CB 4.27Å; V16-W62 HydrophobicContact CG2-CG 4.25Å; M17-W62 CarbonylContact C-O 3.6Å; M17-W62 WeakPolarHBondContact CA-O 3.39Å; M17-W62 WeakPolarHBondContact CB-O 3.4Å; M17-W62 PolarHBondContact N-O 3Å; F46-W62 HydrophobicContact CD2-CE3 4.18Å; F46-W62 HydrophobicContact CD2-CZ3 4.11Å; F46-W62 HydrophobicContact CE2-CZ3 4.01Å; N47-W62 CarbonylContact O-C 3.51Å; N47-W62 WeakPolarHBondContact O-CA 3.39Å; V48-W62 HydrophobicContact CG1-CD2 4.36Å; V48-W62 HydrophobicContact CG1-CH2 4.3Å; V48-W62 HydrophobicContact CG1-CZ2 4.11Å; V48-W62 HydrophobicContact CG2-CD2 3.91Å; V48-W62 HydrophobicContact CG2-CE3 3.34Å; V48-W62 HydrophobicContact CG2-CH2 3.73Å; V48-W62 HydrophobicContact CG2-CZ2 4.26Å; V48-W62 HydrophobicContact CG2-CZ3 3.24Å; W62-Y77 HydrophobicContact CE3-CD1 4.04Å; W62-Y77 HydrophobicContact CZ3-CD1 4.28Å
63D78.5Confident73.6Confident1 Ų144.7 Ų44.71%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-91.3109.8170.8-179.924000108.9K25 T26 L29 F46 N47K25-D63 WeakPolarHBondContact CB-OD1 3.38Å; K25-D63 VanDerWaalsContact CE-OD1 3.3Å; K25-D63 WeakPolarHBondContact CE-OD1 3.16Å; T26-D63 WeakPolarHBondContact CA-OD2 3.26Å; T26-D63 WeakPolarHBondContact CB-OD2 3.26Å; T26-D63 PolarHBondContact N-OD2 3.32Å; T26-D63 PolarHBondContact OG1-OD2 3.19Å; L29-D63 HydrophobicContact CD2-CB 4.21Å; F46-D63 VanDerWaalsContact CA-O 3.28Å; F46-D63 WeakPolarHBondContact CA-O 3.47Å; N47-D63 HydrophobicContact CB-CB 4.31Å; N47-D63 PolarHBondContact N-O 3.06Å; N47-D63 PolarHBondContact O-N 3.39Å
64V78.3Confident75.1Confident2 Ų244.4 Ų44.41%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-100129.3-177.6-170.30000110V16 M17 M18 K25 G66 W74 Y77V16-V64 HydrophobicContact CG1-CG2 4.43Å; M17-V64 PolarHBondContact O-N 2.86Å; M18-V64 HydrophobicContact CE-CG2 4.32Å; K25-V64 WeakPolarHBondContact CE-O 3.43Å; V64-G66 PolarHBondContact O-N 3.01Å; V64-W74 HydrophobicContact CG1-CG 4.22Å; V64-Y77 HydrophobicContact CG1-CD2 4.08Å; V64-Y77 HydrophobicContact CG1-CE2 4.09Å; V64-Y77 HydrophobicContact CG2-CD2 4.05Å; V64-Y77 HydrophobicContact CG2-CG 4.24Å
65G77.8Confident76.8Confident3 Ų344.1 Ų44.13%0.03127%0.269CS..  trans-49.1128.3177.100000112.5G45 W74G45-G65 PolarHBondContact O-N 3.35Å; G45-G65 VanDerWaalsContact O-N 3.14Å; G65-W74 PolarHBondContact O-NE1 2.99Å
66G81.5Confident78.4Confident4 Ų446.9 Ų46.94%0.04127%0.268CS..  trans-95-0.3-169.800000116.3G19 D21 V64 R71G19-G66 WeakPolarHBondContact O-CA 3.45Å; D21-G66 PolarHBondContact N-O 3.39Å; D21-G66 VanDerWaalsContact N-O 3.11Å; V64-G66 PolarHBondContact O-N 3.01Å; G66-R71 PolarHBondContact O-NE 3.1Å; G66-R71 PolarHBondContact O-NH2 3.4Å
67Q84.6Confident80.1Confident68 Ų6842.3 Ų42.332%0.31825%0.245SC..SBendtrans-73.5143.6-178.3-61.3179.410.800110.2D21 P42 P69 L70 R71D21-Q67 HydrophobicContact CB-CG 3.8Å; P42-Q67 VanDerWaalsContact CB-NE2 3.28Å; Q67-P69 VanDerWaalsContact C-N 3.31Å; Q67-P69 VanDerWaalsContact O-N 3.07Å; Q67-L70 PolarHBondContact O-N 2.97Å; Q67-R71 WeakPolarHBondContact O-CG 3.36Å; Q67-R71 PolarHBondContact O-N 3.49Å
68A86.3Confident81.6Confident62 Ų6239.8 Ų39.851%0.51223%0.23SC..G310 helixtrans-44.8-43.8-176.600000115.2L70 R71A68-L70 PolarHBondContact O-N 3.13Å; A68-R71 PolarHBondContact O-N 2.71Å
69P85.6Confident82.9Confident110 Ų11045.5 Ų45.571%0.71425%0.254SS*.G310 helixtrans-64.5-26178.9-2234.8000114.6Q67Q67-P69 VanDerWaalsContact C-N 3.31Å; Q67-P69 VanDerWaalsContact O-N 3.07Å
70L82.6Confident83.8Confident48 Ų4847.4 Ų47.425%0.25127%0.274SS..G310 helixtrans-90.6-10.9-178.4-60.4177.7000112.6Q67 A68 A72 S73Q67-L70 PolarHBondContact O-N 2.97Å; A68-L70 PolarHBondContact O-N 3.13Å; L70-A72 VanDerWaalsContact C-N 3.27Å; L70-A72 PolarHBondContact O-N 2.68Å; L70-S73 PolarHBondContact O-N 3.27Å; L70-S73 PolarHBondContact O-OG 3.23Å
71R85.9Confident84.7Confident26 Ų2646.1 Ų46.110%0.09827%0.267CS..G310 helixtrans-70-25.4-176.7-58.5-174-161.8149.23.2113.2D21 G66 Q67 A68 S73 W74 E98 E102D21-R71 IonicContact OD1-NH2 3.51Å; G66-R71 PolarHBondContact O-NE 3.1Å; G66-R71 PolarHBondContact O-NH2 3.4Å; Q67-R71 WeakPolarHBondContact O-CG 3.36Å; Q67-R71 PolarHBondContact O-N 3.49Å; A68-R71 PolarHBondContact O-N 2.71Å; R71-S73 PolarHBondContact O-N 2.67Å; R71-W74 HydrophobicContact CB-CD2 4.34Å; R71-W74 HydrophobicContact CG-CD2 4.46Å; R71-W74 HydrophobicContact CG-CH2 4.45Å; R71-W74 HydrophobicContact CG-CZ2 3.91Å; R71-W74 WeakPolarHBondContact O-CB 3.43Å; R71-W74 PolarHBondContact O-N 3.03Å; R71-W74 VanDerWaalsContact O-N 3.12Å; R71-E98 IonicContact CZ-OE1 3.16Å; R71-E98 IonicContact NH1-OE1 2.81Å; R71-E98 PolarHBondContact NH1-OE1 2.84Å; R71-E98 IonicContact NH2-OE1 3.51Å; R71-E98 PolarHBondContact NH2-OE1 2.96Å; R71-E102 VanDerWaalsContact CD-CD 3.43Å; R71-E102 WeakPolarHBondContact CD-OE1 3.41Å; R71-E102 IonicContact CZ-OE1 3.88Å; R71-E102 IonicContact NE-OE1 3.45Å; R71-E102 IonicContact NH1-OE1 2.83Å; R71-E102 PolarHBondContact NH1-OE1 3.02Å
72A85.8Confident85.5Confident86 Ų8647.5 Ų47.571%0.71127%0.274SS*.G310 helixtrans-59.7-32.2176.300000112.9L70L70-A72 VanDerWaalsContact C-N 3.27Å; L70-A72 PolarHBondContact O-N 2.68Å
73S85.2Confident86.3Confident34 Ų3444.7 Ų44.724%0.23826%0.263CS..G310 helixtrans-87.9-1.2179.462.40000113.8L70 R71 K75 D76 Y77L70-S73 PolarHBondContact O-N 3.27Å; L70-S73 PolarHBondContact O-OG 3.23Å; R71-S73 PolarHBondContact O-N 2.67Å; S73-K75 PolarHBondContact O-N 3.35Å; S73-D76 WeakPolarHBondContact CA-OD2 3.36Å; S73-D76 WeakPolarHBondContact CB-OD2 3.32Å; S73-D76 WeakPolarHBondContact O-CB 3.43Å; S73-D76 PolarHBondContact O-N 3.49Å; S73-Y77 WeakPolarHBondContact O-CD2 3.26Å; S73-Y77 WeakPolarHBondContact O-CE2 3.49Å
74W89.4Confident87.1Confident4 Ų444.7 Ų44.72%0.01526%0.263CS..G310 helixtrans-56.3-36.9179.5-76.512.8000112.3M18 G19 V64 G65 R71 D76 Y77 Y86 E102 V106M18-W74 HydrophobicContact CB-CH2 4.45Å; M18-W74 HydrophobicContact CB-CZ3 4.35Å; M18-W74 HydrophobicContact CE-CB 4.11Å; M18-W74 HydrophobicContact CE-CG 4.5Å; M18-W74 WeakPolarHBondContact CE-O 3.34Å; M18-W74 HydrophobicContact SD-CB 4.12Å; M18-W74 HydrophobicContact SD-CD2 3.98Å; M18-W74 HydrophobicContact SD-CE3 3.83Å; M18-W74 HydrophobicContact SD-CG 4.16Å; M18-W74 HydrophobicContact SD-CZ3 4.5Å; G19-W74 WeakPolarHBondContact O-CZ2 3.48Å; V64-W74 HydrophobicContact CG1-CG 4.22Å; G65-W74 PolarHBondContact O-NE1 2.99Å; R71-W74 HydrophobicContact CB-CD2 4.34Å; R71-W74 HydrophobicContact CG-CD2 4.46Å; R71-W74 HydrophobicContact CG-CH2 4.45Å; R71-W74 HydrophobicContact CG-CZ2 3.91Å; R71-W74 WeakPolarHBondContact O-CB 3.43Å; R71-W74 PolarHBondContact O-N 3.03Å; R71-W74 VanDerWaalsContact O-N 3.12Å; W74-D76 PolarHBondContact O-N 2.92Å; W74-Y77 PolarHBondContact O-N 3.29Å; W74-Y77 VanDerWaalsContact O-N 3.14Å; W74-Y86 HydrophobicContact CZ3-CE2 4.44Å; W74-E102 HydrophobicContact CH2-CB 4.4Å; W74-E102 HydrophobicContact CZ3-CB 4Å; W74-V106 HydrophobicContact CE3-CG2 3.44Å; W74-V106 VanDerWaalsContact CE3-CG2 3.44Å; W74-V106 HydrophobicContact CZ3-CG2 3.84Å
75K88.5Confident88Confident93 Ų9344.8 Ų44.840%0.40426%0.264SS..G310 helixtrans-61.6-30.1179.9-62.9-176.4179.8-178.20113S73 Y77 L78 E105S73-K75 PolarHBondContact O-N 3.35Å; K75-Y77 PolarHBondContact O-N 3.32Å; K75-Y77 VanDerWaalsContact O-N 3.1Å; K75-L78 HydrophobicContact CG-CD1 4.43Å; K75-L78 PolarHBondContact O-N 3.16Å; K75-E105 WeakPolarHBondContact CE-OE1 3.37Å; K75-E105 IonicContact NZ-OE1 2.66Å; K75-E105 PolarHBondContact NZ-OE1 2.83Å
76D88.7Confident88.9Confident125 Ų12544.7 Ų44.767%0.66826%0.262SS*.G310 helixtrans-66-14.5179.8-54.9-29.7000112.5S73 W74S73-D76 WeakPolarHBondContact CA-OD2 3.36Å; S73-D76 WeakPolarHBondContact CB-OD2 3.32Å; S73-D76 WeakPolarHBondContact O-CB 3.43Å; S73-D76 PolarHBondContact O-N 3.49Å; W74-D76 PolarHBondContact O-N 2.92Å
77Y86.9Confident89.7Confident49 Ų4944.5 Ų44.519%0.19226%0.26CS..G310 helixtrans-109.12.8-177.7-53.3-77000113.9F46 W62 V64 S73 W74 K75F46-Y77 HydrophobicContact CB-CE1 4.44Å; F46-Y77 HydrophobicContact CD1-CE1 4.15Å; F46-Y77 WeakPolarHBondContact CD1-OH 3.3Å; F46-Y77 HydrophobicContact CD2-CE1 4.42Å; F46-Y77 HydrophobicContact CG-CE1 4.09Å; W62-Y77 HydrophobicContact CE3-CD1 4.04Å; W62-Y77 HydrophobicContact CZ3-CD1 4.28Å; V64-Y77 HydrophobicContact CG1-CD2 4.08Å; V64-Y77 HydrophobicContact CG1-CE2 4.09Å; V64-Y77 HydrophobicContact CG2-CD2 4.05Å; V64-Y77 HydrophobicContact CG2-CG 4.24Å; S73-Y77 WeakPolarHBondContact O-CD2 3.26Å; S73-Y77 WeakPolarHBondContact O-CE2 3.49Å; W74-Y77 PolarHBondContact O-N 3.29Å; W74-Y77 VanDerWaalsContact O-N 3.14Å; K75-Y77 PolarHBondContact O-N 3.32Å; K75-Y77 VanDerWaalsContact O-N 3.1Å
78L90.8Very high90.3Very high0 Ų041.4 Ų41.40%025%0.246CC..  trans-84.2-23.9-175.3-62178.4000113.2M18 K75 G80 T81 V106 D109 N111 M112M18-L78 HydrophobicContact CE-CD2 3.35Å; M18-L78 HydrophobicContact CE-CG 4.2Å; M18-L78 HydrophobicContact SD-CD2 4.09Å; K75-L78 HydrophobicContact CG-CD1 4.43Å; K75-L78 PolarHBondContact O-N 3.16Å; L78-G80 PolarHBondContact O-N 2.98Å; L78-T81 VanDerWaalsContact O-CB 3.3Å; L78-T81 WeakPolarHBondContact O-CB 3.49Å; L78-T81 PolarHBondContact O-N 2.93Å; L78-T81 PolarHBondContact O-OG1 3.21Å; L78-V106 HydrophobicContact CD1-CG1 4.33Å; L78-V106 HydrophobicContact CD2-CG1 3.9Å; L78-D109 HydrophobicContact CD1-CB 3.46Å; L78-D109 VanDerWaalsContact CD1-CB 3.46Å; L78-N111 HydrophobicContact CB-CB 4.07Å; L78-M112 HydrophobicContact CB-CG 4.22Å; L78-M112 HydrophobicContact CB-SD 4.3Å; L78-M112 HydrophobicContact CD1-CG 3.96Å; L78-M112 HydrophobicContact CD2-CG 4.02Å; L78-M112 HydrophobicContact CD2-SD 3.88Å; L78-M112 HydrophobicContact CG-CG 4.29Å
79E90.5Very high90.9Very high148 Ų14839.3 Ų39.369%0.69223%0.226SC*.THydrogen-bonded Turntrans-59.3133.2178.3-169.7177.7178.800111.5Q14 T81Q14-E79 PolarHBondContact NE2-O 3.02Å; E79-T81 PolarHBondContact O-N 3.31Å
80G88.6Confident91.5Very high44 Ų4434 Ų3445%0.45419%0.192SC..THydrogen-bonded Turntrans78.6-4.4179.300000115.5Q14 L78 D82Q14-G80 PolarHBondContact OE1-O 3.23Å; L78-G80 PolarHBondContact O-N 2.98Å; G80-D82 PolarHBondContact O-N 2.88Å
81T91.4Very high92.2Very high0 Ų033.7 Ų33.70%019%0.192CC..  trans-57.4124.4-176.6-59.40000112.6V16 L78 E79 T83 M112 V115 R176V16-T81 HydrophobicContact CB-CG2 4.18Å; V16-T81 HydrophobicContact CG2-CG2 3.93Å; V16-T81 VanDerWaalsContact CG2-OG1 3.31Å; V16-T81 WeakPolarHBondContact CG2-OG1 3.38Å; L78-T81 VanDerWaalsContact O-CB 3.3Å; L78-T81 WeakPolarHBondContact O-CB 3.49Å; L78-T81 PolarHBondContact O-N 2.93Å; L78-T81 PolarHBondContact O-OG1 3.21Å; E79-T81 PolarHBondContact O-N 3.31Å; T81-T83 WeakPolarHBondContact CG2-O 3.22Å; T81-M112 HydrophobicContact CG2-CE 4.4Å; T81-M112 HydrophobicContact CG2-SD 4.12Å; T81-V115 HydrophobicContact CG2-CG1 4.1Å; T81-R176 PolarHBondContact O-NH1 3.31Å; T81-R176 PolarHBondContact O-NH2 2.6Å
82D92.2Very high92.7Very high32 Ų3234.1 Ų34.117%0.17120%0.196CC..SBendtrans-83.7-32.7173-75.2-59.1000114.3A13 Q14 G80 L173 R176A13-D82 WeakPolarHBondContact CA-OD2 3.35Å; A13-D82 HydrophobicContact CB-CB 4.2Å; Q14-D82 PolarHBondContact N-OD2 2.88Å; Q14-D82 WeakPolarHBondContact O-CA 3.49Å; Q14-D82 WeakPolarHBondContact O-CB 3.43Å; Q14-D82 PolarHBondContact O-N 2.91Å; G80-D82 PolarHBondContact O-N 2.88Å; D82-L173 HydrophobicContact CB-CD2 3.7Å; D82-R176 WeakPolarHBondContact O-CD 3.47Å; D82-R176 IonicContact OD1-CZ 3.21Å; D82-R176 IonicContact OD1-NH1 2.67Å; D82-R176 PolarHBondContact OD1-NH1 2.88Å
83T93.8Very high93.2Very high0 Ų033.5 Ų33.50%018%0.179CC..EExtended strand (participates in β ladder)trans-161.5145.6175-160.20000108.7Q14 V15 V16 T81 P116 L169 L173Q14-T83 PolarHBondContact O-N 3.17Å; V15-T83 HydrophobicContact CB-CG2 4.28Å; V15-T83 HydrophobicContact CG1-CG2 3.85Å; V15-T83 HydrophobicContact CG2-CG2 3.86Å; V16-T83 PolarHBondContact N-O 3.4Å; T81-T83 WeakPolarHBondContact CG2-O 3.22Å; T83-P116 WeakPolarHBondContact CA-O 3.24Å; T83-P116 PolarHBondContact OG1-O 2.92Å; T83-P116 VanDerWaalsContact OG1-O 3.1Å; T83-L169 HydrophobicContact CG2-CD1 3.29Å; T83-L169 HydrophobicContact CG2-CG 4.48Å; T83-L173 HydrophobicContact CG2-CD2 3.8Å; T83-L173 HydrophobicContact CG2-CG 4.17Å
84L95.6Very high93.8Very high0 Ų036.3 Ų36.30%020%0.204CC..EExtended strand (participates in β ladder)trans-95133.7173.1173.572.7000109.5M18 L103 V106 L107 M112 P116 F117 L118M18-L84 HydrophobicContact CB-CD1 4.06Å; M18-L84 HydrophobicContact CG-CD1 3.91Å; M18-L84 HydrophobicContact SD-CD1 4.26Å; L84-L103 HydrophobicContact CD2-CD1 4Å; L84-V106 HydrophobicContact CD1-CG1 4.43Å; L84-V106 HydrophobicContact CD2-CG1 3.85Å; L84-L107 HydrophobicContact CD2-CD2 3.93Å; L84-M112 HydrophobicContact CB-CE 3.68Å; L84-M112 HydrophobicContact CD2-CE 4.2Å; L84-M112 HydrophobicContact CG-CE 4.45Å; L84-P116 PolarHBondContact N-O 2.85Å; L84-P116 VanDerWaalsContact N-O 3.12Å; L84-F117 HydrophobicContact CB-CB 3.81Å; L84-F117 HydrophobicContact CD2-CB 4.2Å; L84-F117 HydrophobicContact CG-CB 4.32Å; L84-F117 CarbonylContact O-C 3.58Å; L84-F117 WeakPolarHBondContact O-CA 3.37Å; L84-L118 PolarHBondContact O-N 2.81Å
85V96.3Very high94.1Very high5 Ų539 Ų393%0.0321%0.214CC..EExtended strand (participates in β ladder)trans-105.7106.4163.5177.90000107.5V15 V16 M17 M18 V87 L118 L120 L169V15-V85 HydrophobicContact CG1-CB 4.49Å; V15-V85 HydrophobicContact CG1-CG2 3.64Å; V16-V85 PolarHBondContact O-N 2.92Å; M17-V85 CarbonylContact C-O 3.54Å; M17-V85 VanDerWaalsContact CA-O 3.26Å; M17-V85 WeakPolarHBondContact CA-O 3.44Å; M17-V85 HydrophobicContact CG-CB 4.37Å; M17-V85 HydrophobicContact CG-CG1 4.26Å; M18-V85 PolarHBondContact N-O 3.1Å; V85-V87 HydrophobicContact CG1-CG2 4.18Å; V85-L118 CarbonylContact C-O 3.55Å; V85-L118 WeakPolarHBondContact CA-O 3.5Å; V85-L120 HydrophobicContact CG1-CD1 3.59Å; V85-L120 HydrophobicContact CG1-CG 3.93Å; V85-L169 HydrophobicContact CG2-CD1 3.74Å
86Y97.6Very high94.4Very high0 Ų034.9 Ų34.90%020%0.196CC..EExtended strand (participates in β ladder)trans-97.9115.1178.2-168.4-90.2000110.2M18 W74 S99 L103 L118 V119 L120M18-Y86 HydrophobicContact CB-CD2 4.34Å; M18-Y86 CarbonylContact O-C 3.41Å; M18-Y86 WeakPolarHBondContact O-CA 3.37Å; W74-Y86 HydrophobicContact CZ3-CE2 4.44Å; Y86-S99 WeakPolarHBondContact CE1-OG 3.46Å; Y86-S99 WeakPolarHBondContact OH-CA 3.19Å; Y86-S99 PolarHBondContact OH-O 3.28Å; Y86-S99 PolarHBondContact OH-OG 2.99Å; Y86-L103 HydrophobicContact CD1-CB 4.44Å; Y86-L103 HydrophobicContact CD1-CD1 4.27Å; Y86-L103 HydrophobicContact CD1-CD2 4.37Å; Y86-L103 HydrophobicContact CD2-CB 4.24Å; Y86-L103 HydrophobicContact CD2-CD1 3.69Å; Y86-L103 HydrophobicContact CE1-CB 4.16Å; Y86-L103 HydrophobicContact CE2-CB 3.93Å; Y86-L103 HydrophobicContact CE2-CD1 4.25Å; Y86-L103 HydrophobicContact CG-CB 4.48Å; Y86-L103 HydrophobicContact CG-CD1 3.7Å; Y86-L103 HydrophobicContact CG-CG 4.46Å; Y86-L118 PolarHBondContact N-O 3.13Å; Y86-V119 CarbonylContact O-C 3.49Å; Y86-V119 WeakPolarHBondContact O-CA 3.27Å; Y86-L120 PolarHBondContact O-N 2.83Å
87V97.8Very high94.8Very high0 Ų033 Ų330%019%0.191CC..EExtended strand (participates in β ladder)trans-100.5129.6-177.5-171.10000109.6M17 M18 G19 A23 K25 L28 V85 L120 N122M17-V87 HydrophobicContact CG-CG2 3.71Å; M17-V87 HydrophobicContact SD-CG2 3.77Å; M18-V87 PolarHBondContact O-N 2.76Å; G19-V87 WeakPolarHBondContact CA-O 3.31Å; A23-V87 HydrophobicContact CB-CB 4.38Å; A23-V87 HydrophobicContact CB-CG1 4.07Å; A23-V87 WeakPolarHBondContact CB-O 3.29Å; A23-V87 WeakPolarHBondContact O-CG1 3.19Å; K25-V87 HydrophobicContact CG-CB 3.83Å; K25-V87 HydrophobicContact CG-CG1 4.42Å; K25-V87 HydrophobicContact CG-CG2 3.93Å; L28-V87 HydrophobicContact CD1-CB 4.29Å; L28-V87 HydrophobicContact CD1-CG1 3.49Å; L28-V87 VanDerWaalsContact CD1-CG1 3.49Å; L28-V87 HydrophobicContact CD1-CG2 3.74Å; V85-V87 HydrophobicContact CG1-CG2 4.18Å; V87-L120 HydrophobicContact CG2-CB 4.37Å; V87-L120 HydrophobicContact CG2-CD1 4.41Å; V87-N122 HydrophobicContact CG1-CB 3.86Å
88L97.3Very high95.2Very high4 Ų434 Ų342%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-122.5153.2172.664.989.3000111.1L96 V119 L120 A121 N122 I135 L139L88-L96 HydrophobicContact CD1-CD1 4.45Å; L88-L96 HydrophobicContact CD2-CD1 4.36Å; L88-V119 HydrophobicContact CD2-CG1 3.51Å; L88-V119 HydrophobicContact CG-CG1 4.4Å; L88-L120 PolarHBondContact N-O 3.18Å; L88-A121 HydrophobicContact CD1-CB 4.08Å; L88-N122 WeakPolarHBondContact O-CB 3.48Å; L88-N122 PolarHBondContact O-N 3.22Å; L88-I135 HydrophobicContact CD1-CD1 4.03Å; L88-I135 HydrophobicContact CD1-CG1 4.47Å; L88-I135 HydrophobicContact CD1-CG2 4.21Å; L88-I135 HydrophobicContact CD2-CG2 3.62Å; L88-L139 HydrophobicContact CD2-CD1 3.71Å
89D97.8Very high95.5Very high17 Ų1734.2 Ų34.29%0.09120%0.199CC..EExtended strand (participates in β ladder)trans-82.3114.8170.5-170.3-9.8000109.6T91 D92 K123D89-T91 PolarHBondContact O-N 3.42Å; D89-T91 PolarHBondContact OD1-N 3.12Å; D89-T91 PolarHBondContact OD1-OG1 3.1Å; D89-D92 HydrophobicContact CB-CB 3.89Å; D89-D92 PolarHBondContact O-N 3.49Å; D89-K123 VanDerWaalsContact CG-NZ 3.33Å; D89-K123 WeakPolarHBondContact OD1-CD 3.47Å; D89-K123 WeakPolarHBondContact OD1-CE 3.38Å; D89-K123 IonicContact OD1-NZ 2.7Å; D89-K123 WeakPolarHBondContact OD2-CE 3.14Å; D89-K123 IonicContact OD2-NZ 2.81Å; D89-K123 PolarHBondContact OD2-NZ 3.44Å
90S98.4Very high95.8Very high0 Ų027.7 Ų27.70%017%0.171CC..THydrogen-bonded Turntrans-72.6-14.6-178.7-53.20000113.1A121 N122 Q124 L130S90-A121 WeakPolarHBondContact OG-CA 3.42Å; S90-A121 WeakPolarHBondContact OG-CB 3.24Å; S90-A121 PolarHBondContact OG-O 2.95Å; S90-N122 WeakPolarHBondContact CB-O 3.2Å; S90-N122 PolarHBondContact N-O 2.94Å; S90-N122 PolarHBondContact OG-N 2.85Å; S90-N122 PolarHBondContact OG-O 3.33Å; S90-Q124 VanDerWaalsContact CB-NE2 3.27Å; S90-Q124 PolarHBondContact OG-NE2 2.8Å; S90-L130 WeakPolarHBondContact O-CB 3.33Å; S90-L130 WeakPolarHBondContact O-CG 3.49Å; S90-L130 PolarHBondContact O-N 3.19Å
91T97.9Very high96.1Very high40 Ų4028.5 Ų28.525%0.24517%0.173CC..THydrogen-bonded Turntrans-89.9-14.1178.369.80000112.4D89 E93 K123 A126 D128D89-T91 PolarHBondContact O-N 3.42Å; D89-T91 PolarHBondContact OD1-N 3.12Å; D89-T91 PolarHBondContact OD1-OG1 3.1Å; T91-E93 PolarHBondContact O-N 3.27Å; T91-K123 HydrophobicContact CG2-CB 4.26Å; T91-A126 HydrophobicContact CG2-CB 3.4Å; T91-A126 VanDerWaalsContact CG2-CB 3.4Å; T91-D128 WeakPolarHBondContact CG2-OD1 3.37Å
92D96.8Very high96.3Very high36 Ų3630.5 Ų30.519%0.19318%0.182CC..  trans-95.869-174.1-160.6-24.1000112D89 A94 R95 L96D89-D92 HydrophobicContact CB-CB 3.89Å; D89-D92 PolarHBondContact O-N 3.49Å; D92-A94 PolarHBondContact O-N 3.47Å; D92-R95 PolarHBondContact O-N 2.86Å; D92-R95 WeakPolarHBondContact OD1-CB 2.92Å; D92-R95 PolarHBondContact OD1-N 3.48Å; D92-R95 IonicContact OD1-NE 2.7Å; D92-R95 IonicContact OD2-CZ 2.64Å; D92-R95 IonicContact OD2-NE 2.79Å; D92-R95 PolarHBondContact OD2-NE 3.31Å; D92-R95 IonicContact OD2-NH2 3.65Å; D92-R95 PolarHBondContact OD2-NH2 2.79Å; D92-L96 PolarHBondContact O-N 3.12Å
93E95.9Very high96.5Very high73 Ų7329 Ų2934%0.34117%0.174SC..THydrogen-bonded Turntrans-59.7-31.7177.7-175.6164.5-169.400112.2T91 R95 L96 L130 K134 R138T91-E93 PolarHBondContact O-N 3.27Å; E93-R95 PolarHBondContact O-N 3.2Å; E93-L96 WeakPolarHBondContact O-CB 3.49Å; E93-L96 PolarHBondContact O-N 2.94Å; E93-L130 HydrophobicContact CB-CD1 3.9Å; E93-L130 HydrophobicContact CB-CD2 4.25Å; E93-L130 HydrophobicContact CB-CG 4.43Å; E93-L130 HydrophobicContact CG-CD1 4.14Å; E93-L130 HydrophobicContact CG-CD2 4.41Å; E93-K134 WeakPolarHBondContact OE1-CE 3.22Å; E93-K134 IonicContact OE1-NZ 3.91Å; E93-K134 PolarHBondContact OE1-NZ 3.36Å; E93-K134 IonicContact OE2-NZ 3.84Å; E93-K134 PolarHBondContact OE2-NZ 3.36Å; E93-R138 IonicContact OE1-NH2 3.82Å; E93-R138 PolarHBondContact OE1-NH2 3.39Å
94A96.6Very high96.6Very high92 Ų9230.7 Ų30.776%0.7618%0.184SC*.THydrogen-bonded Turntrans-65.5-39.1-177.200000112.4D92 P97D92-A94 PolarHBondContact O-N 3.47Å; A94-P97 WeakPolarHBondContact O-CD 2.92Å
95R96.2Very high96.6Very high61 Ų6135.3 Ų35.323%0.2321%0.206CC..THydrogen-bonded Turntrans-92.70.6177.4-65-165.7-66161.65.8114.2L20 D21 D92 E93 P97 E98 S99L20-R95 HydrophobicContact CD1-CB 3.97Å; D21-R95 PolarHBondContact O-NH2 2.9Å; D21-R95 IonicContact OD1-NH1 3.46Å; D21-R95 PolarHBondContact OD1-NH1 3.05Å; D21-R95 IonicContact OD2-CZ 3.41Å; D21-R95 IonicContact OD2-NH1 2.68Å; D21-R95 PolarHBondContact OD2-NH1 2.87Å; D92-R95 PolarHBondContact O-N 2.86Å; D92-R95 WeakPolarHBondContact OD1-CB 2.92Å; D92-R95 PolarHBondContact OD1-N 3.48Å; D92-R95 IonicContact OD1-NE 2.7Å; D92-R95 IonicContact OD2-CZ 2.64Å; D92-R95 IonicContact OD2-NE 2.79Å; D92-R95 PolarHBondContact OD2-NE 3.31Å; D92-R95 IonicContact OD2-NH2 3.65Å; D92-R95 PolarHBondContact OD2-NH2 2.79Å; E93-R95 PolarHBondContact O-N 3.2Å; R95-P97 VanDerWaalsContact C-CD 3.49Å; R95-E98 WeakPolarHBondContact CD-OE2 3.33Å; R95-E98 WeakPolarHBondContact O-CB 3.45Å; R95-E98 PolarHBondContact O-N 3.29Å; R95-E98 VanDerWaalsContact O-N 3.14Å; R95-S99 PolarHBondContact O-N 3.14Å
96L95.8Very high96.6Very high6 Ų635.3 Ų35.33%0.03121%0.206CC..Hα-helixtrans-58.7-38176.6-166.664.1000113.8L88 D92 E93 S99 A100 L130 R138L88-L96 HydrophobicContact CD1-CD1 4.45Å; L88-L96 HydrophobicContact CD2-CD1 4.36Å; D92-L96 PolarHBondContact O-N 3.12Å; E93-L96 WeakPolarHBondContact O-CB 3.49Å; E93-L96 PolarHBondContact O-N 2.94Å; L96-S99 PolarHBondContact O-N 3.03Å; L96-A100 WeakPolarHBondContact O-CB 3.41Å; L96-A100 PolarHBondContact O-N 3.43Å; L96-L130 HydrophobicContact CD2-CD1 3.82Å; L96-R138 HydrophobicContact CD2-CB 3.51Å; L96-R138 HydrophobicContact CD2-CG 3.75Å; L96-R138 HydrophobicContact CG-CB 4.14Å
97P96.5Very high96.5Very high86 Ų8635.5 Ų35.556%0.55821%0.207SC*.Hα-helixtrans-64-39.5173-22.935.1000113.5A94 R95 A100 A101A94-P97 WeakPolarHBondContact O-CD 2.92Å; R95-P97 VanDerWaalsContact C-CD 3.49Å; P97-A100 PolarHBondContact O-N 2.86Å; P97-A101 PolarHBondContact O-N 2.68Å
98E96.3Very high96.4Very high70 Ų7039.5 Ų39.533%0.32724%0.235SC..Hα-helixtrans-62-48173.9178.8-173.1-175.100109.9L20 R71 R95 A100 A101 E102L20-E98 HydrophobicContact CD1-CB 4.34Å; L20-E98 HydrophobicContact CD1-CG 4.14Å; L20-E98 HydrophobicContact CD2-CG 4.32Å; R71-E98 IonicContact CZ-OE1 3.16Å; R71-E98 IonicContact NH1-OE1 2.81Å; R71-E98 PolarHBondContact NH1-OE1 2.84Å; R71-E98 IonicContact NH2-OE1 3.51Å; R71-E98 PolarHBondContact NH2-OE1 2.96Å; R95-E98 WeakPolarHBondContact CD-OE2 3.33Å; R95-E98 WeakPolarHBondContact O-CB 3.45Å; R95-E98 PolarHBondContact O-N 3.29Å; R95-E98 VanDerWaalsContact O-N 3.14Å; E98-A100 VanDerWaalsContact C-N 3.31Å; E98-A100 PolarHBondContact O-N 2.86Å; E98-A101 WeakPolarHBondContact O-CB 3.36Å; E98-A101 PolarHBondContact O-N 3.46Å; E98-A101 VanDerWaalsContact O-N 3.11Å; E98-E102 WeakPolarHBondContact O-CG 3.45Å; E98-E102 PolarHBondContact O-N 3.05Å
99S95.8Very high96.3Very high4 Ų440.3 Ų40.33%0.02824%0.239CC..Hα-helixtrans-58.5-41.9176.4-173.40000112.2Y86 R95 L96 A101 E102 L103Y86-S99 WeakPolarHBondContact CE1-OG 3.46Å; Y86-S99 WeakPolarHBondContact OH-CA 3.19Å; Y86-S99 PolarHBondContact OH-O 3.28Å; Y86-S99 PolarHBondContact OH-OG 2.99Å; R95-S99 PolarHBondContact O-N 3.14Å; L96-S99 PolarHBondContact O-N 3.03Å; S99-A101 PolarHBondContact O-N 2.81Å; S99-E102 PolarHBondContact O-N 3.38Å; S99-L103 WeakPolarHBondContact O-CB 3.21Å; S99-L103 PolarHBondContact O-N 2.9Å
100A96.6Very high96.2Very high12 Ų1244.7 Ų44.710%0.09927%0.269CS..Hα-helixtrans-62.9-40.6175.600000112.5L96 P97 E98 T104 L139L96-A100 WeakPolarHBondContact O-CB 3.41Å; L96-A100 PolarHBondContact O-N 3.43Å; P97-A100 PolarHBondContact O-N 2.86Å; E98-A100 VanDerWaalsContact C-N 3.31Å; E98-A100 PolarHBondContact O-N 2.86Å; A100-T104 PolarHBondContact O-N 2.93Å; A100-T104 PolarHBondContact O-OG1 3.1Å; A100-L139 HydrophobicContact CB-CD2 3.86Å
101A95.9Very high96Very high60 Ų6048.2 Ų48.250%0.49629%0.288SS..Hα-helixtrans-63.7-47.6176.400000111.1P97 E98 S99 L103 T104 E105P97-A101 PolarHBondContact O-N 2.68Å; E98-A101 WeakPolarHBondContact O-CB 3.36Å; E98-A101 PolarHBondContact O-N 3.46Å; E98-A101 VanDerWaalsContact O-N 3.11Å; S99-A101 PolarHBondContact O-N 2.81Å; A101-L103 PolarHBondContact O-N 2.89Å; A101-T104 VanDerWaalsContact O-CB 3.31Å; A101-T104 WeakPolarHBondContact O-CB 3.45Å; A101-T104 PolarHBondContact O-N 3.35Å; A101-T104 VanDerWaalsContact O-N 3.1Å; A101-E105 PolarHBondContact O-N 3.14Å
102E95.8Very high95.8Very high43 Ų4346.3 Ų46.320%0.20128%0.276CS..Hα-helixtrans-63.2-41.7178.4-63.8-67.6178.200112.2L20 R71 W74 E98 S99 T104 E105 V106L20-E102 HydrophobicContact CD2-CB 4.36Å; L20-E102 HydrophobicContact CD2-CG 3.82Å; R71-E102 VanDerWaalsContact CD-CD 3.43Å; R71-E102 WeakPolarHBondContact CD-OE1 3.41Å; R71-E102 IonicContact CZ-OE1 3.88Å; R71-E102 IonicContact NE-OE1 3.45Å; R71-E102 IonicContact NH1-OE1 2.83Å; R71-E102 PolarHBondContact NH1-OE1 3.02Å; W74-E102 HydrophobicContact CH2-CB 4.4Å; W74-E102 HydrophobicContact CZ3-CB 4Å; E98-E102 WeakPolarHBondContact O-CG 3.45Å; E98-E102 PolarHBondContact O-N 3.05Å; S99-E102 PolarHBondContact O-N 3.38Å; E102-T104 VanDerWaalsContact C-N 3.28Å; E102-T104 PolarHBondContact O-N 3.37Å; E102-E105 PolarHBondContact O-N 3.4Å; E102-V106 WeakPolarHBondContact O-CG2 3.36Å; E102-V106 PolarHBondContact O-N 3.11Å
103L96.6Very high95.7Very high0 Ų047.9 Ų47.90%029%0.294CS..Hα-helixtrans-60-41173.2176.361.3000111.3L84 Y86 S99 A101 L107 F117 V119 L139 L141L84-L103 HydrophobicContact CD2-CD1 4Å; Y86-L103 HydrophobicContact CD1-CB 4.44Å; Y86-L103 HydrophobicContact CD1-CD1 4.27Å; Y86-L103 HydrophobicContact CD1-CD2 4.37Å; Y86-L103 HydrophobicContact CD2-CB 4.24Å; Y86-L103 HydrophobicContact CD2-CD1 3.69Å; Y86-L103 HydrophobicContact CE1-CB 4.16Å; Y86-L103 HydrophobicContact CE2-CB 3.93Å; Y86-L103 HydrophobicContact CE2-CD1 4.25Å; Y86-L103 HydrophobicContact CG-CB 4.48Å; Y86-L103 HydrophobicContact CG-CD1 3.7Å; Y86-L103 HydrophobicContact CG-CG 4.46Å; S99-L103 WeakPolarHBondContact O-CB 3.21Å; S99-L103 PolarHBondContact O-N 2.9Å; A101-L103 PolarHBondContact O-N 2.89Å; L103-L107 HydrophobicContact CD1-CD1 3.68Å; L103-L107 HydrophobicContact CD1-CG 3.9Å; L103-L107 HydrophobicContact CG-CD1 3.87Å; L103-L107 HydrophobicContact CG-CG 4.42Å; L103-L107 WeakPolarHBondContact O-CB 3.34Å; L103-L107 VanDerWaalsContact O-CG 3.26Å; L103-L107 WeakPolarHBondContact O-CG 3.42Å; L103-L107 PolarHBondContact O-N 3.49Å; L103-F117 HydrophobicContact CD2-CE2 4.34Å; L103-V119 HydrophobicContact CD2-CG2 4.41Å; L103-L139 HydrophobicContact CD2-CD2 4.12Å; L103-L141 HydrophobicContact CD2-CD2 4.34Å
104T96.3Very high95.5Very high36 Ų3646 Ų4622%0.22129%0.294CS..Hα-helixtrans-62.6-46177.3-48.40000111.1A100 A101 E102 L107 S108 R143A100-T104 PolarHBondContact O-N 2.93Å; A100-T104 PolarHBondContact O-OG1 3.1Å; A101-T104 VanDerWaalsContact O-CB 3.31Å; A101-T104 WeakPolarHBondContact O-CB 3.45Å; A101-T104 PolarHBondContact O-N 3.35Å; A101-T104 VanDerWaalsContact O-N 3.1Å; E102-T104 VanDerWaalsContact C-N 3.28Å; E102-T104 PolarHBondContact O-N 3.37Å; T104-L107 PolarHBondContact O-N 2.88Å; T104-S108 WeakPolarHBondContact O-CB 3.5Å; T104-S108 PolarHBondContact O-N 2.96Å; T104-S108 PolarHBondContact O-OG 3.1Å; T104-R143 PolarHBondContact OG1-NH1 3.06Å; T104-R143 PolarHBondContact OG1-NH2 2.65Å
105E95.4Very high95.5Very high96 Ų9641.6 Ų41.645%0.44926%0.258SS..Hα-helixtrans-61.3-46.2-179.9-17763-163.900111K75 A101 E102 L107 S108K75-E105 WeakPolarHBondContact CE-OE1 3.37Å; K75-E105 IonicContact NZ-OE1 2.66Å; K75-E105 PolarHBondContact NZ-OE1 2.83Å; A101-E105 PolarHBondContact O-N 3.14Å; E102-E105 PolarHBondContact O-N 3.4Å; E105-L107 PolarHBondContact O-N 3.47Å; E105-S108 PolarHBondContact O-N 2.7Å
106V95.2Very high95.5Very high5 Ų538.9 Ų38.93%0.0325%0.248CC..Hα-helixtrans-59.4-48.4175.9169.30000111.6M18 W74 L78 L84 E102 S108 D109 M112M18-V106 HydrophobicContact SD-CG1 4.07Å; M18-V106 HydrophobicContact SD-CG2 3.87Å; W74-V106 HydrophobicContact CE3-CG2 3.44Å; W74-V106 VanDerWaalsContact CE3-CG2 3.44Å; W74-V106 HydrophobicContact CZ3-CG2 3.84Å; L78-V106 HydrophobicContact CD1-CG1 4.33Å; L78-V106 HydrophobicContact CD2-CG1 3.9Å; L84-V106 HydrophobicContact CD1-CG1 4.43Å; L84-V106 HydrophobicContact CD2-CG1 3.85Å; E102-V106 WeakPolarHBondContact O-CG2 3.36Å; E102-V106 PolarHBondContact O-N 3.11Å; V106-S108 PolarHBondContact O-N 2.97Å; V106-D109 WeakPolarHBondContact O-CB 3.31Å; V106-D109 PolarHBondContact O-N 2.93Å; V106-M112 WeakPolarHBondContact O-CG 3.22Å
107L96Very high95.5Very high4 Ų438.6 Ų38.62%0.02125%0.246CC..Hα-helixtrans-71.9-16.8-177.2-66.8176.1000113.5L84 L103 T104 E105 D109 M112 F117 F144 R147L84-L107 HydrophobicContact CD2-CD2 3.93Å; L103-L107 HydrophobicContact CD1-CD1 3.68Å; L103-L107 HydrophobicContact CD1-CG 3.9Å; L103-L107 HydrophobicContact CG-CD1 3.87Å; L103-L107 HydrophobicContact CG-CG 4.42Å; L103-L107 WeakPolarHBondContact O-CB 3.34Å; L103-L107 VanDerWaalsContact O-CG 3.26Å; L103-L107 WeakPolarHBondContact O-CG 3.42Å; L103-L107 PolarHBondContact O-N 3.49Å; T104-L107 PolarHBondContact O-N 2.88Å; E105-L107 PolarHBondContact O-N 3.47Å; L107-D109 VanDerWaalsContact C-N 3.32Å; L107-M112 HydrophobicContact CD2-CE 4.17Å; L107-F117 HydrophobicContact CD1-CD1 4.04Å; L107-F117 HydrophobicContact CD1-CE1 3.74Å; L107-F117 HydrophobicContact CD1-CE2 4.26Å; L107-F117 HydrophobicContact CD1-CG 4.43Å; L107-F117 HydrophobicContact CD1-CZ 3.87Å; L107-F117 HydrophobicContact CD2-CB 4.44Å; L107-F117 HydrophobicContact CD2-CD1 3.91Å; L107-F117 HydrophobicContact CD2-CE1 4.4Å; L107-F117 HydrophobicContact CD2-CG 4.2Å; L107-F144 HydrophobicContact CB-CE1 4.22Å; L107-F144 HydrophobicContact CD1-CD1 4.01Å; L107-F144 HydrophobicContact CD1-CD2 4.41Å; L107-F144 HydrophobicContact CD1-CE1 3.58Å; L107-F144 HydrophobicContact CD1-CE2 4.01Å; L107-F144 HydrophobicContact CD1-CG 4.4Å; L107-F144 HydrophobicContact CD1-CZ 3.56Å; L107-R147 PolarHBondContact O-NH1 2.86Å; L107-R147 PolarHBondContact O-NH2 2.95Å
108S95.4Very high95.6Very high84 Ų8434.7 Ų34.759%0.58722%0.221SC*.THydrogen-bonded Turntrans-82-11175.7-58.20000112.9T104 E105 V106T104-S108 WeakPolarHBondContact O-CB 3.5Å; T104-S108 PolarHBondContact O-N 2.96Å; T104-S108 PolarHBondContact O-OG 3.1Å; E105-S108 PolarHBondContact O-N 2.7Å; V106-S108 PolarHBondContact O-N 2.97Å
109D95.7Very high95.7Very high21 Ų2131.3 Ų31.311%0.11221%0.205CC..SBendtrans-64.1136.7175.2-166.8-81.4000111L78 V106 L107 N111 M112L78-D109 HydrophobicContact CD1-CB 3.46Å; L78-D109 VanDerWaalsContact CD1-CB 3.46Å; V106-D109 WeakPolarHBondContact O-CB 3.31Å; V106-D109 PolarHBondContact O-N 2.93Å; L107-D109 VanDerWaalsContact C-N 3.32Å; D109-N111 PolarHBondContact O-N 3.24Å; D109-N111 VanDerWaalsContact OD1-CB 3.26Å; D109-N111 WeakPolarHBondContact OD1-CB 3.26Å; D109-N111 PolarHBondContact OD1-N 3Å; D109-N111 PolarHBondContact OD1-ND2 2.94Å; D109-M112 HydrophobicContact CB-CG 4.28Å; D109-M112 WeakPolarHBondContact O-CA 3.41Å; D109-M112 WeakPolarHBondContact O-CB 3.28Å; D109-M112 PolarHBondContact O-N 2.81Å
110P94.4Very high95.8Very high109 Ų10931.5 Ų31.571%0.70821%0.206SC*.G310 helixtrans-55.5-33178.6-26.935.2000114.2M112 A113P110-M112 PolarHBondContact O-N 3.12Å; P110-A113 WeakPolarHBondContact O-CB 3.43Å; P110-A113 PolarHBondContact O-N 2.82Å
111N94.6Very high95.9Very high75 Ų7531 Ų3140%0.40120%0.201SC..G310 helixtrans-68.4-17.7178-62.6-63000112.8L78 D109L78-N111 HydrophobicContact CB-CB 4.07Å; D109-N111 PolarHBondContact O-N 3.24Å; D109-N111 VanDerWaalsContact OD1-CB 3.26Å; D109-N111 WeakPolarHBondContact OD1-CB 3.26Å; D109-N111 PolarHBondContact OD1-N 3Å; D109-N111 PolarHBondContact OD1-ND2 2.94Å
112M95.2Very high96Very high0 Ų028.2 Ų28.20%018%0.178CC..G310 helixtrans-94.70.3179.4-67.1-58.1-66.900113.1L78 T81 L84 V106 L107 D109 P110 G114 V115 R147L78-M112 HydrophobicContact CB-CG 4.22Å; L78-M112 HydrophobicContact CB-SD 4.3Å; L78-M112 HydrophobicContact CD1-CG 3.96Å; L78-M112 HydrophobicContact CD2-CG 4.02Å; L78-M112 HydrophobicContact CD2-SD 3.88Å; L78-M112 HydrophobicContact CG-CG 4.29Å; T81-M112 HydrophobicContact CG2-CE 4.4Å; T81-M112 HydrophobicContact CG2-SD 4.12Å; L84-M112 HydrophobicContact CB-CE 3.68Å; L84-M112 HydrophobicContact CD2-CE 4.2Å; L84-M112 HydrophobicContact CG-CE 4.45Å; V106-M112 WeakPolarHBondContact O-CG 3.22Å; L107-M112 HydrophobicContact CD2-CE 4.17Å; D109-M112 HydrophobicContact CB-CG 4.28Å; D109-M112 WeakPolarHBondContact O-CA 3.41Å; D109-M112 WeakPolarHBondContact O-CB 3.28Å; D109-M112 PolarHBondContact O-N 2.81Å; P110-M112 PolarHBondContact O-N 3.12Å; M112-G114 PolarHBondContact O-N 2.8Å; M112-V115 HydrophobicContact CE-CB 3.82Å; M112-V115 HydrophobicContact CE-CG1 3.6Å; M112-V115 WeakPolarHBondContact O-CB 3.31Å; M112-V115 PolarHBondContact O-N 2.95Å; M112-V115 HydrophobicContact SD-CB 4.24Å; M112-V115 HydrophobicContact SD-CG1 4.17Å; M112-V115 HydrophobicContact SD-CG2 4.31Å; M112-R147 PolarHBondContact O-NH1 2.92Å
113A93.8Very high96.1Very high69 Ų6928.7 Ų28.757%0.5718%0.179SC*.THydrogen-bonded Turntrans-55.7123.3178.700000111.7P110 V115P110-A113 WeakPolarHBondContact O-CB 3.43Å; P110-A113 PolarHBondContact O-N 2.82Å; A113-V115 PolarHBondContact O-N 3.3Å
114G92.1Very high96.2Very high33 Ų3331.7 Ų31.734%0.3419%0.193SC..THydrogen-bonded Turntrans670.4-178.400000115.6M112M112-G114 PolarHBondContact O-N 2.8Å
115V95.3Very high96.2Very high0 Ų033.4 Ų33.40%020%0.199CC..  trans-70.9121.8178.5179.40000109.1T81 M112 A113 R147T81-V115 HydrophobicContact CG2-CG1 4.1Å; M112-V115 HydrophobicContact CE-CB 3.82Å; M112-V115 HydrophobicContact CE-CG1 3.6Å; M112-V115 WeakPolarHBondContact O-CB 3.31Å; M112-V115 PolarHBondContact O-N 2.95Å; M112-V115 HydrophobicContact SD-CB 4.24Å; M112-V115 HydrophobicContact SD-CG1 4.17Å; M112-V115 HydrophobicContact SD-CG2 4.31Å; A113-V115 PolarHBondContact O-N 3.3Å; V115-R147 WeakPolarHBondContact O-CD 3.48Å
116P96.5Very high96.3Very high4 Ų430 Ų303%0.02619%0.187CC..  trans-67.7157.917730-34.7000111T83 L84 C148 L172 R176T83-P116 WeakPolarHBondContact CA-O 3.24Å; T83-P116 PolarHBondContact OG1-O 2.92Å; T83-P116 VanDerWaalsContact OG1-O 3.1Å; L84-P116 PolarHBondContact N-O 2.85Å; L84-P116 VanDerWaalsContact N-O 3.12Å; P116-C148 WeakPolarHBondContact CA-O 3.39Å; P116-C148 HydrophobicContact CB-CB 4.22Å; P116-C148 WeakPolarHBondContact CB-O 3.42Å; P116-L172 HydrophobicContact CB-CB 4.06Å; P116-L172 HydrophobicContact CB-CD2 4Å; P116-L172 HydrophobicContact CB-CG 4.46Å; P116-L172 HydrophobicContact CG-CB 4.25Å; P116-R176 HydrophobicContact CG-CB 4.12Å
117F97.1Very high96.4Very high0 Ų036.4 Ų36.40%023%0.229CC..EExtended strand (participates in β ladder)trans-142.7147.5177.969.8-83.3000113.4L84 L103 L107 V119 L141 F144 R147 C148 W149 E150L84-F117 HydrophobicContact CB-CB 3.81Å; L84-F117 HydrophobicContact CD2-CB 4.2Å; L84-F117 HydrophobicContact CG-CB 4.32Å; L84-F117 CarbonylContact O-C 3.58Å; L84-F117 WeakPolarHBondContact O-CA 3.37Å; L103-F117 HydrophobicContact CD2-CE2 4.34Å; L107-F117 HydrophobicContact CD1-CD1 4.04Å; L107-F117 HydrophobicContact CD1-CE1 3.74Å; L107-F117 HydrophobicContact CD1-CE2 4.26Å; L107-F117 HydrophobicContact CD1-CG 4.43Å; L107-F117 HydrophobicContact CD1-CZ 3.87Å; L107-F117 HydrophobicContact CD2-CB 4.44Å; L107-F117 HydrophobicContact CD2-CD1 3.91Å; L107-F117 HydrophobicContact CD2-CE1 4.4Å; L107-F117 HydrophobicContact CD2-CG 4.2Å; F117-V119 HydrophobicContact CD2-CG2 3.77Å; F117-V119 HydrophobicContact CE2-CG2 3.63Å; F117-L141 HydrophobicContact CE2-CD2 4.06Å; F117-L141 HydrophobicContact CZ-CD2 4.26Å; F117-F144 HydrophobicContact CE1-CB 4.14Å; F117-F144 HydrophobicContact CE1-CD2 4.27Å; F117-F144 HydrophobicContact CE1-CG 4.18Å; F117-F144 HydrophobicContact CZ-CB 4.31Å; F117-F144 AromaticContact CZ-CD2 3.73Å; F117-F144 HydrophobicContact CZ-CD2 3.73Å; F117-F144 HydrophobicContact CZ-CE2 4.25Å; F117-F144 HydrophobicContact CZ-CG 4.11Å; F117-R147 HydrophobicContact CD1-CG 4.17Å; F117-R147 HydrophobicContact CE1-CG 3.97Å; F117-C148 PolarHBondContact N-O 3.4Å; F117-C148 VanDerWaalsContact N-O 3.14Å; F117-W149 HydrophobicContact CD1-CB 3.87Å; F117-W149 HydrophobicContact CD2-CB 4.17Å; F117-W149 HydrophobicContact CE1-CB 3.49Å; F117-W149 VanDerWaalsContact CE1-CB 3.49Å; F117-W149 HydrophobicContact CE1-CG 4.09Å; F117-W149 HydrophobicContact CE2-CB 3.81Å; F117-W149 HydrophobicContact CE2-CG 4.46Å; F117-W149 HydrophobicContact CG-CB 4.2Å; F117-W149 HydrophobicContact CZ-CB 3.45Å; F117-W149 VanDerWaalsContact CZ-CB 3.45Å; F117-W149 AromaticContact CZ-CG 3.84Å; F117-W149 HydrophobicContact CZ-CG 3.84Å; F117-W149 WeakPolarHBondContact O-CA 3.49Å; F117-W149 WeakPolarHBondContact O-CB 3.25Å; F117-E150 PolarHBondContact O-N 3.22Å
118L97.6Very high96.4Very high3 Ų341 Ų412%0.01625%0.253CS..EExtended strand (participates in β ladder)trans-110.5124.117417460.4000108.6L84 V85 Y86 L120 E150 R152 A165 L169 L172L84-L118 PolarHBondContact O-N 2.81Å; V85-L118 CarbonylContact C-O 3.55Å; V85-L118 WeakPolarHBondContact CA-O 3.5Å; Y86-L118 PolarHBondContact N-O 3.13Å; L118-L120 HydrophobicContact CD1-CD2 4.22Å; L118-L120 HydrophobicContact CD2-CD2 3.83Å; L118-L120 HydrophobicContact CD2-CG 4.37Å; L118-L120 HydrophobicContact CG-CD2 3.85Å; L118-L120 HydrophobicContact CG-CG 4.27Å; L118-E150 HydrophobicContact CD1-CB 3.93Å; L118-R152 HydrophobicContact CD1-CB 4.41Å; L118-R152 HydrophobicContact CD1-CG 3.96Å; L118-A165 HydrophobicContact CD2-CB 4.35Å; L118-A165 WeakPolarHBondContact CD2-O 3.11Å; L118-L169 HydrophobicContact CD2-CB 4.21Å; L118-L172 HydrophobicContact CB-CD1 3.89Å
119V98.4Very high96.5Very high0 Ų038 Ų380%023%0.234CC..EExtended strand (participates in β ladder)trans-92.8123.3169.1-176.10000109Y86 L88 L103 F117 L139 L141 E150 L151 R152Y86-V119 CarbonylContact O-C 3.49Å; Y86-V119 WeakPolarHBondContact O-CA 3.27Å; L88-V119 HydrophobicContact CD2-CG1 3.51Å; L88-V119 HydrophobicContact CG-CG1 4.4Å; L103-V119 HydrophobicContact CD2-CG2 4.41Å; F117-V119 HydrophobicContact CD2-CG2 3.77Å; F117-V119 HydrophobicContact CE2-CG2 3.63Å; V119-L139 HydrophobicContact CG1-CD1 3.97Å; V119-L141 HydrophobicContact CG2-CD1 4.48Å; V119-L141 HydrophobicContact CG2-CD2 4.25Å; V119-E150 PolarHBondContact N-O 3.49Å; V119-L151 HydrophobicContact CB-CD1 3.77Å; V119-L151 HydrophobicContact CG1-CD1 3.61Å; V119-L151 WeakPolarHBondContact O-CA 3.14Å; V119-R152 PolarHBondContact O-N 3.08Å
120L98.5Very high96.6Very high8 Ų837.5 Ų37.54%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-102.1106.3171.5-63.8-174.4000109.6L28 V85 Y86 V87 L88 L118 N122 R152 A165L28-L120 HydrophobicContact CD1-CD1 4.08Å; V85-L120 HydrophobicContact CG1-CD1 3.59Å; V85-L120 HydrophobicContact CG1-CG 3.93Å; Y86-L120 PolarHBondContact O-N 2.83Å; V87-L120 HydrophobicContact CG2-CB 4.37Å; V87-L120 HydrophobicContact CG2-CD1 4.41Å; L88-L120 PolarHBondContact N-O 3.18Å; L118-L120 HydrophobicContact CD1-CD2 4.22Å; L118-L120 HydrophobicContact CD2-CD2 3.83Å; L118-L120 HydrophobicContact CD2-CG 4.37Å; L118-L120 HydrophobicContact CG-CD2 3.85Å; L118-L120 HydrophobicContact CG-CG 4.27Å; L120-N122 PolarHBondContact O-N 3.12Å; L120-N122 VanDerWaalsContact O-N 3.12Å; L120-R152 WeakPolarHBondContact CA-O 3.45Å; L120-R152 HydrophobicContact CD2-CB 4.16Å; L120-A165 HydrophobicContact CD2-CB 3.62Å
121A98.5Very high96.8Very high0 Ų036.2 Ų36.20%022%0.223CC..EExtended strand (participates in β ladder)trans-76.489.8166.600000108.2L88 S90 Q124 L132 I135 L151 R152 G153 C154L88-A121 HydrophobicContact CD1-CB 4.08Å; S90-A121 WeakPolarHBondContact OG-CA 3.42Å; S90-A121 WeakPolarHBondContact OG-CB 3.24Å; S90-A121 PolarHBondContact OG-O 2.95Å; A121-Q124 VanDerWaalsContact O-CG 3.22Å; A121-Q124 WeakPolarHBondContact O-CG 3.45Å; A121-L132 HydrophobicContact CB-CD2 3.47Å; A121-L132 VanDerWaalsContact CB-CD2 3.47Å; A121-I135 HydrophobicContact CB-CD1 3.63Å; A121-L151 HydrophobicContact CB-CD1 4.14Å; A121-R152 PolarHBondContact N-O 3.45Å; A121-G153 WeakPolarHBondContact O-CA 3.26Å; A121-C154 PolarHBondContact O-N 3.18Å
122N98.4Very high96.9Very high2 Ų235.6 Ų35.61%0.01122%0.219CC..EExtended strand (participates in β ladder)trans-83.2165.2-175.3-168.931.8000111.5A23 V87 L88 S90 L120 C154 A156A23-N122 PolarHBondContact O-ND2 3.27Å; V87-N122 HydrophobicContact CG1-CB 3.86Å; L88-N122 WeakPolarHBondContact O-CB 3.48Å; L88-N122 PolarHBondContact O-N 3.22Å; S90-N122 WeakPolarHBondContact CB-O 3.2Å; S90-N122 PolarHBondContact N-O 2.94Å; S90-N122 PolarHBondContact OG-N 2.85Å; S90-N122 PolarHBondContact OG-O 3.33Å; L120-N122 PolarHBondContact O-N 3.12Å; L120-N122 VanDerWaalsContact O-N 3.12Å; N122-C154 CarbonylContact C-O 3.56Å; N122-C154 WeakPolarHBondContact CA-O 3.44Å; N122-C154 PolarHBondContact OD1-O 3.4Å; N122-A156 PolarHBondContact OD1-N 3.42Å
123K97.9Very high97.1Very high54 Ų5441.1 Ų41.124%0.23525%0.248CC..  trans68.830.3-178.6-45.4-164-161.1168.80114.6S22 D89 T91 E125 A126 A129 C154S22-K123 VanDerWaalsContact O-CE 3.28Å; S22-K123 WeakPolarHBondContact O-CE 3.42Å; S22-K123 PolarHBondContact O-NZ 3.21Å; D89-K123 VanDerWaalsContact CG-NZ 3.33Å; D89-K123 WeakPolarHBondContact OD1-CD 3.47Å; D89-K123 WeakPolarHBondContact OD1-CE 3.38Å; D89-K123 IonicContact OD1-NZ 2.7Å; D89-K123 WeakPolarHBondContact OD2-CE 3.14Å; D89-K123 IonicContact OD2-NZ 2.81Å; D89-K123 PolarHBondContact OD2-NZ 3.44Å; T91-K123 HydrophobicContact CG2-CB 4.26Å; K123-E125 WeakPolarHBondContact CA-OE2 3.45Å; K123-E125 PolarHBondContact O-N 2.9Å; K123-A126 WeakPolarHBondContact O-CB 3.37Å; K123-A126 PolarHBondContact O-N 2.96Å; K123-A126 VanDerWaalsContact O-N 3.11Å; K123-A129 WeakPolarHBondContact O-CB 3.17Å; K123-C154 PolarHBondContact N-O 2.83Å; K123-C154 VanDerWaalsContact N-O 3.08Å
124Q98.3Very high97.2Very high63 Ų6341.4 Ų41.429%0.29424%0.236SC..THydrogen-bonded Turntrans-69.3-9.6179.8-72-76.9-4100114S90 A121 A126 L130 C154S90-Q124 VanDerWaalsContact CB-NE2 3.27Å; S90-Q124 PolarHBondContact OG-NE2 2.8Å; A121-Q124 VanDerWaalsContact O-CG 3.22Å; A121-Q124 WeakPolarHBondContact O-CG 3.45Å; Q124-A126 PolarHBondContact O-N 3.39Å; Q124-L130 PolarHBondContact NE2-O 3.02Å; Q124-C154 PolarHBondContact N-O 3.38Å; Q124-C154 VanDerWaalsContact N-O 3.14Å
125E96.8Very high97.5Very high72 Ų7239.8 Ų39.834%0.33622%0.22SC..THydrogen-bonded Turntrans-70.6-19.3169.474.5-76.9-171.900113.4K123 S155 L157 T158K123-E125 WeakPolarHBondContact CA-OE2 3.45Å; K123-E125 PolarHBondContact O-N 2.9Å; E125-S155 WeakPolarHBondContact OE2-CB 3.33Å; E125-S155 PolarHBondContact OE2-OG 3.07Å; E125-L157 HydrophobicContact CG-CD2 4.23Å; E125-T158 HydrophobicContact CB-CG2 4.09Å; E125-T158 HydrophobicContact CG-CG2 4.41Å
126A97.4Very high97.6Very high23 Ų2344.5 Ų44.519%0.1924%0.237CC..SBendtrans-77.1140.6-175.800000111.1T91 K123 Q124 D128 A129T91-A126 HydrophobicContact CG2-CB 3.4Å; T91-A126 VanDerWaalsContact CG2-CB 3.4Å; K123-A126 WeakPolarHBondContact O-CB 3.37Å; K123-A126 PolarHBondContact O-N 2.96Å; K123-A126 VanDerWaalsContact O-N 3.11Å; Q124-A126 PolarHBondContact O-N 3.39Å; A126-D128 WeakPolarHBondContact CB-OD1 3.39Å; A126-D128 PolarHBondContact O-N 3.28Å; A126-A129 HydrophobicContact CB-CB 4.48Å; A126-A129 WeakPolarHBondContact O-CB 3.11Å; A126-A129 PolarHBondContact O-N 2.71Å; A126-A129 VanDerWaalsContact O-N 3.08Å
127P95.8Very high97.6Very high140 Ų14048.7 Ų48.791%0.90926%0.26SS*.THydrogen-bonded Turntrans-65.9-23.6-17627.2-35.3000113.6
128D96.2Very high97.4Very high101 Ų10155.5 Ų55.554%0.5429%0.286SS..THydrogen-bonded Turntrans-96.17.5177.861.4-28.3000113.2T91 A126 L130T91-D128 WeakPolarHBondContact CG2-OD1 3.37Å; A126-D128 WeakPolarHBondContact CB-OD1 3.39Å; A126-D128 PolarHBondContact O-N 3.28Å; D128-L130 PolarHBondContact O-N 2.96Å
129A98.1Very high97.3Very high21 Ų2155.4 Ų55.417%0.17429%0.285CS..PPolyproline II helixtrans-60.8131.3177.500000111.8K123 A126K123-A129 WeakPolarHBondContact O-CB 3.17Å; A126-A129 HydrophobicContact CB-CB 4.48Å; A126-A129 WeakPolarHBondContact O-CB 3.11Å; A126-A129 PolarHBondContact O-N 2.71Å; A126-A129 VanDerWaalsContact O-N 3.08Å
130L98.1Very high97.2Very high11 Ų1158.2 Ų58.26%0.05830%0.304CS..PPolyproline II helixtrans-66.5136.6177.6-68.1177.5000111.2S90 E93 L96 Q124 D128 K134 I135S90-L130 WeakPolarHBondContact O-CB 3.33Å; S90-L130 WeakPolarHBondContact O-CG 3.49Å; S90-L130 PolarHBondContact O-N 3.19Å; E93-L130 HydrophobicContact CB-CD1 3.9Å; E93-L130 HydrophobicContact CB-CD2 4.25Å; E93-L130 HydrophobicContact CB-CG 4.43Å; E93-L130 HydrophobicContact CG-CD1 4.14Å; E93-L130 HydrophobicContact CG-CD2 4.41Å; L96-L130 HydrophobicContact CD2-CD1 3.82Å; Q124-L130 PolarHBondContact NE2-O 3.02Å; D128-L130 PolarHBondContact O-N 2.96Å; L130-K134 HydrophobicContact CD2-CD 3.86Å; L130-I135 HydrophobicContact CB-CD1 3.93Å; L130-I135 HydrophobicContact CB-CG1 3.81Å; L130-I135 HydrophobicContact CD1-CG1 4.33Å; L130-I135 WeakPolarHBondContact O-CD1 3.35Å
131P98.1Very high97Very high82 Ų8257.8 Ų57.853%0.53230%0.302SS..PPolyproline II helixtrans-60.7143.3171.5-23.233000111.7L133 K134 I135P131-L133 PolarHBondContact O-N 2.77Å; P131-L133 VanDerWaalsContact O-N 3.13Å; P131-K134 WeakPolarHBondContact O-CB 3.5Å; P131-K134 PolarHBondContact O-N 3.24Å; P131-I135 PolarHBondContact O-N 3.25Å; P131-I135 VanDerWaalsContact O-N 3.16Å
132L97.9Very high96.7Very high61 Ų6161.5 Ų61.532%0.31932%0.32SS..Hα-helixtrans-55.3-36-178.9-60.3-175.7000113.3A121 K134 I135 R136 L151A121-L132 HydrophobicContact CB-CD2 3.47Å; A121-L132 VanDerWaalsContact CB-CD2 3.47Å; L132-K134 VanDerWaalsContact C-N 3.3Å; L132-K134 PolarHBondContact O-N 3.33Å; L132-I135 HydrophobicContact CD2-CD1 4.41Å; L132-I135 PolarHBondContact O-N 3.03Å; L132-R136 VanDerWaalsContact O-CB 3.26Å; L132-R136 WeakPolarHBondContact O-CB 3.42Å; L132-R136 PolarHBondContact O-N 3.23Å; L132-L151 HydrophobicContact CB-CD2 4.08Å; L132-L151 HydrophobicContact CD2-CG 4.42Å; L132-L151 WeakPolarHBondContact O-CD2 3.47Å
133L97.4Very high96.6Very high117 Ų11766.9 Ų66.961%0.61334%0.34SS*.Hα-helixtrans-62-38.5177-17662.4000112P131 N137P131-L133 PolarHBondContact O-N 2.77Å; P131-L133 VanDerWaalsContact O-N 3.13Å; L133-N137 PolarHBondContact O-N 2.67Å; L133-N137 VanDerWaalsContact O-N 3.09Å; L133-N137 PolarHBondContact O-ND2 3.26Å; L133-N137 PolarHBondContact O-OD1 3.34Å
134K97.1Very high96.3Very high74 Ų7465.4 Ų65.432%0.32233%0.333SS..Hα-helixtrans-69-43.9177.7-175.7167168.1-167.20110.6E93 L130 P131 L132 N137 R138E93-K134 WeakPolarHBondContact OE1-CE 3.22Å; E93-K134 IonicContact OE1-NZ 3.91Å; E93-K134 PolarHBondContact OE1-NZ 3.36Å; E93-K134 IonicContact OE2-NZ 3.84Å; E93-K134 PolarHBondContact OE2-NZ 3.36Å; L130-K134 HydrophobicContact CD2-CD 3.86Å; P131-K134 WeakPolarHBondContact O-CB 3.5Å; P131-K134 PolarHBondContact O-N 3.24Å; L132-K134 VanDerWaalsContact C-N 3.3Å; L132-K134 PolarHBondContact O-N 3.33Å; K134-N137 PolarHBondContact O-N 2.87Å; K134-R138 HydrophobicContact CG-CG 4.46Å; K134-R138 WeakPolarHBondContact O-CB 3.2Å; K134-R138 WeakPolarHBondContact O-CG 3.33Å; K134-R138 PolarHBondContact O-N 3.5Å
135I98.1Very high96Very high0 Ų070.5 Ų70.50%036%0.357CS..Hα-helixtrans-59.8-48.5175.5-67.5165.1000110.7L88 A121 L130 P131 L132 N137 R138 L139 L151L88-I135 HydrophobicContact CD1-CD1 4.03Å; L88-I135 HydrophobicContact CD1-CG1 4.47Å; L88-I135 HydrophobicContact CD1-CG2 4.21Å; L88-I135 HydrophobicContact CD2-CG2 3.62Å; A121-I135 HydrophobicContact CB-CD1 3.63Å; L130-I135 HydrophobicContact CB-CD1 3.93Å; L130-I135 HydrophobicContact CB-CG1 3.81Å; L130-I135 HydrophobicContact CD1-CG1 4.33Å; L130-I135 WeakPolarHBondContact O-CD1 3.35Å; P131-I135 PolarHBondContact O-N 3.25Å; P131-I135 VanDerWaalsContact O-N 3.16Å; L132-I135 HydrophobicContact CD2-CD1 4.41Å; L132-I135 PolarHBondContact O-N 3.03Å; I135-N137 PolarHBondContact O-N 2.9Å; I135-R138 PolarHBondContact O-N 3.36Å; I135-L139 HydrophobicContact CG2-CD1 3.57Å; I135-L139 HydrophobicContact CG2-CG 4.37Å; I135-L139 WeakPolarHBondContact O-CB 3.08Å; I135-L139 WeakPolarHBondContact O-CG 3.49Å; I135-L139 PolarHBondContact O-N 3.35Å; I135-L151 HydrophobicContact CG2-CD1 4.19Å; I135-L151 HydrophobicContact CG2-CD2 4.37Å
136R97.4Very high95.7Very high98 Ų9871.6 Ų71.637%0.3737%0.365SS..Hα-helixtrans-52.8-51176.8177.4174.8169.1151.63.9112.1L132 L139 S140 L141 E142 L151L132-R136 VanDerWaalsContact O-CB 3.26Å; L132-R136 WeakPolarHBondContact O-CB 3.42Å; L132-R136 PolarHBondContact O-N 3.23Å; R136-L139 PolarHBondContact O-N 3.36Å; R136-S140 PolarHBondContact O-N 2.79Å; R136-S140 VanDerWaalsContact O-N 3.09Å; R136-L141 HydrophobicContact CG-CD1 4.36Å; R136-L141 PolarHBondContact O-N 2.77Å; R136-E142 IonicContact CZ-OE1 2.77Å; R136-E142 IonicContact NE-OE1 3.16Å; R136-E142 PolarHBondContact NE-OE1 3.08Å; R136-E142 IonicContact NH2-OE1 2.67Å; R136-E142 PolarHBondContact NH2-OE1 3.38Å; R136-L151 HydrophobicContact CB-CD2 3.76Å
137N95.8Very high95.5Very high92 Ų9272 Ų7249%0.49236%0.362SS..Hα-helixtrans-64.9-42-179.9-66.7-11.7000111.7L133 K134 I135 S140L133-N137 PolarHBondContact O-N 2.67Å; L133-N137 VanDerWaalsContact O-N 3.09Å; L133-N137 PolarHBondContact O-ND2 3.26Å; L133-N137 PolarHBondContact O-OD1 3.34Å; K134-N137 PolarHBondContact O-N 2.87Å; I135-N137 PolarHBondContact O-N 2.9Å; N137-S140 PolarHBondContact O-N 3.12Å; N137-S140 VanDerWaalsContact O-N 3.09Å; N137-S140 PolarHBondContact O-OG 2.93Å
138R94.7Very high95.5Very high144 Ų14468 Ų6854%0.54334%0.337SS..Hα-helixtrans-67.2-37-179-71.9-71.6-162.4-169.95.8112.8E93 L96 K134 I135 S140E93-R138 IonicContact OE1-NH2 3.82Å; E93-R138 PolarHBondContact OE1-NH2 3.39Å; L96-R138 HydrophobicContact CD2-CB 3.51Å; L96-R138 HydrophobicContact CD2-CG 3.75Å; L96-R138 HydrophobicContact CG-CB 4.14Å; K134-R138 HydrophobicContact CG-CG 4.46Å; K134-R138 WeakPolarHBondContact O-CB 3.2Å; K134-R138 WeakPolarHBondContact O-CG 3.33Å; K134-R138 PolarHBondContact O-N 3.5Å; I135-R138 PolarHBondContact O-N 3.36Å; R138-S140 PolarHBondContact O-N 3.23Å
139L95.5Very high95.5Very high1 Ų165.9 Ų65.91%0.00532%0.321CS..Hα-helixtrans-76.9-12.1173.4-68.1166.5000112.7L88 A100 L103 V119 I135 R136 L141L88-L139 HydrophobicContact CD2-CD1 3.71Å; A100-L139 HydrophobicContact CB-CD2 3.86Å; L103-L139 HydrophobicContact CD2-CD2 4.12Å; V119-L139 HydrophobicContact CG1-CD1 3.97Å; I135-L139 HydrophobicContact CG2-CD1 3.57Å; I135-L139 HydrophobicContact CG2-CG 4.37Å; I135-L139 WeakPolarHBondContact O-CB 3.08Å; I135-L139 WeakPolarHBondContact O-CG 3.49Å; I135-L139 PolarHBondContact O-N 3.35Å; R136-L139 PolarHBondContact O-N 3.36Å; L139-L141 VanDerWaalsContact C-N 3.29Å; L139-L141 HydrophobicContact CB-CD2 3.64Å; L139-L141 HydrophobicContact CB-CG 3.8Å; L139-L141 HydrophobicContact CD1-CD1 4.41Å; L139-L141 HydrophobicContact CD1-CD2 4.15Å; L139-L141 HydrophobicContact CD1-CG 4.4Å; L139-L141 PolarHBondContact O-N 3.18Å
140S95.1Very high95.5Very high58 Ų5866.8 Ų66.841%0.40632%0.322SS..THydrogen-bonded Turntrans51.247.3-175.7-60.30000111.9R136 N137 R138 E142 R143R136-S140 PolarHBondContact O-N 2.79Å; R136-S140 VanDerWaalsContact O-N 3.09Å; N137-S140 PolarHBondContact O-N 3.12Å; N137-S140 VanDerWaalsContact O-N 3.09Å; N137-S140 PolarHBondContact O-OG 2.93Å; R138-S140 PolarHBondContact O-N 3.23Å; S140-E142 PolarHBondContact O-N 3.28Å; S140-E142 VanDerWaalsContact O-N 3.14Å; S140-R143 WeakPolarHBondContact O-CD 3.13Å; S140-R143 WeakPolarHBondContact O-CG 3.33Å; S140-R143 PolarHBondContact O-N 3.22Å; S140-R143 VanDerWaalsContact O-N 3.12Å
141L93.7Very high95.5Very high0 Ų067.4 Ų67.40%033%0.325CS..G310 helixtrans-60.4-27.6-171.2-63.9-179.4000113L103 F117 V119 R136 L139 R143 F144 W149 L151L103-L141 HydrophobicContact CD2-CD2 4.34Å; F117-L141 HydrophobicContact CE2-CD2 4.06Å; F117-L141 HydrophobicContact CZ-CD2 4.26Å; V119-L141 HydrophobicContact CG2-CD1 4.48Å; V119-L141 HydrophobicContact CG2-CD2 4.25Å; R136-L141 HydrophobicContact CG-CD1 4.36Å; R136-L141 PolarHBondContact O-N 2.77Å; L139-L141 VanDerWaalsContact C-N 3.29Å; L139-L141 HydrophobicContact CB-CD2 3.64Å; L139-L141 HydrophobicContact CB-CG 3.8Å; L139-L141 HydrophobicContact CD1-CD1 4.41Å; L139-L141 HydrophobicContact CD1-CD2 4.15Å; L139-L141 HydrophobicContact CD1-CG 4.4Å; L139-L141 PolarHBondContact O-N 3.18Å; L141-R143 PolarHBondContact O-N 2.8Å; L141-R143 VanDerWaalsContact O-N 3.1Å; L141-F144 HydrophobicContact CD2-CD2 4.39Å; L141-F144 HydrophobicContact CD2-CE2 4.34Å; L141-F144 PolarHBondContact O-N 2.91Å; L141-F144 VanDerWaalsContact O-N 3.11Å; L141-W149 HydrophobicContact CB-CD2 4.12Å; L141-W149 HydrophobicContact CB-CE3 4.08Å; L141-W149 HydrophobicContact CB-CH2 3.62Å; L141-W149 HydrophobicContact CB-CZ2 3.64Å; L141-W149 HydrophobicContact CB-CZ3 3.85Å; L141-W149 HydrophobicContact CD1-CE3 3.84Å; L141-W149 HydrophobicContact CD1-CH2 4.2Å; L141-W149 HydrophobicContact CD1-CZ3 3.62Å; L141-W149 HydrophobicContact CG-CZ3 4.37Å; L141-W149 PolarHBondContact O-NE1 3.14Å; L141-L151 HydrophobicContact CD1-CB 4.15Å; L141-L151 HydrophobicContact CD1-CD2 4.34Å
142E93.7Very high95.5Very high78 Ų7868.2 Ų68.236%0.36432%0.318SS..G310 helixtrans-59.5-19.6176.9-68.180.1-172.400114.5R136 S140 F144 Q145R136-E142 IonicContact CZ-OE1 2.77Å; R136-E142 IonicContact NE-OE1 3.16Å; R136-E142 PolarHBondContact NE-OE1 3.08Å; R136-E142 IonicContact NH2-OE1 2.67Å; R136-E142 PolarHBondContact NH2-OE1 3.38Å; S140-E142 PolarHBondContact O-N 3.28Å; S140-E142 VanDerWaalsContact O-N 3.14Å; E142-F144 VanDerWaalsContact C-N 3.27Å; E142-F144 PolarHBondContact O-N 3.06Å; E142-Q145 WeakPolarHBondContact O-CG 3.32Å; E142-Q145 PolarHBondContact O-NE2 2.93Å
143R94.9Very high95.5Very high115 Ų11566.2 Ų66.243%0.43431%0.312SS..G310 helixtrans-72.1-22.5177.579.7-166.9159.5150.9-4112.9T104 S140 L141 Q145T104-R143 PolarHBondContact OG1-NH1 3.06Å; T104-R143 PolarHBondContact OG1-NH2 2.65Å; S140-R143 WeakPolarHBondContact O-CD 3.13Å; S140-R143 WeakPolarHBondContact O-CG 3.33Å; S140-R143 PolarHBondContact O-N 3.22Å; S140-R143 VanDerWaalsContact O-N 3.12Å; L141-R143 PolarHBondContact O-N 2.8Å; L141-R143 VanDerWaalsContact O-N 3.1Å; R143-Q145 PolarHBondContact O-N 3.46Å; R143-Q145 VanDerWaalsContact O-N 3.15Å
144F93.3Very high95.6Very high22 Ų2260.8 Ų60.810%0.09628%0.284CS..  trans-85.485.5179.4-57.1-68.8000109.5L107 F117 L141 E142 R147 W149L107-F144 HydrophobicContact CB-CE1 4.22Å; L107-F144 HydrophobicContact CD1-CD1 4.01Å; L107-F144 HydrophobicContact CD1-CD2 4.41Å; L107-F144 HydrophobicContact CD1-CE1 3.58Å; L107-F144 HydrophobicContact CD1-CE2 4.01Å; L107-F144 HydrophobicContact CD1-CG 4.4Å; L107-F144 HydrophobicContact CD1-CZ 3.56Å; F117-F144 HydrophobicContact CE1-CB 4.14Å; F117-F144 HydrophobicContact CE1-CD2 4.27Å; F117-F144 HydrophobicContact CE1-CG 4.18Å; F117-F144 HydrophobicContact CZ-CB 4.31Å; F117-F144 AromaticContact CZ-CD2 3.73Å; F117-F144 HydrophobicContact CZ-CD2 3.73Å; F117-F144 HydrophobicContact CZ-CE2 4.25Å; F117-F144 HydrophobicContact CZ-CG 4.11Å; L141-F144 HydrophobicContact CD2-CD2 4.39Å; L141-F144 HydrophobicContact CD2-CE2 4.34Å; L141-F144 PolarHBondContact O-N 2.91Å; L141-F144 VanDerWaalsContact O-N 3.11Å; E142-F144 VanDerWaalsContact C-N 3.27Å; E142-F144 PolarHBondContact O-N 3.06Å; F144-R147 HydrophobicContact CB-CG 4.39Å; F144-W149 PolarHBondContact O-NE1 3.46Å
145Q91.6Very high95.6Very high171 Ų17157.3 Ų57.380%0.79927%0.269SS*.  trans-101-11-178.5-60.3178.828.500112.8E142 R143 R147E142-Q145 WeakPolarHBondContact O-CG 3.32Å; E142-Q145 PolarHBondContact O-NE2 2.93Å; R143-Q145 PolarHBondContact O-N 3.46Å; R143-Q145 VanDerWaalsContact O-N 3.15Å; Q145-R147 VanDerWaalsContact C-N 3.31Å
146D90.6Very high95.3Very high95 Ų9557.5 Ų57.551%0.50827%0.27SS..SBendtrans-83.9-5.2-178.967.2-44.3000113.4
147R93Very high95.1Very high31 Ų3156.9 Ų56.912%0.11727%0.274CS..SBendtrans-152.7155.3-174.964.5-164.469.1-162.35.1111.5L107 M112 V115 F117 F144 Q145L107-R147 PolarHBondContact O-NH1 2.86Å; L107-R147 PolarHBondContact O-NH2 2.95Å; M112-R147 PolarHBondContact O-NH1 2.92Å; V115-R147 WeakPolarHBondContact O-CD 3.48Å; F117-R147 HydrophobicContact CD1-CG 4.17Å; F117-R147 HydrophobicContact CE1-CG 3.97Å; F144-R147 HydrophobicContact CB-CG 4.39Å; Q145-R147 VanDerWaalsContact C-N 3.31Å
148C95Very high95Very high57 Ų5756 Ų5639%0.38527%0.272SS..  trans-76.1142.6173.4-58.30000111.1P116 F117 L172P116-C148 WeakPolarHBondContact CA-O 3.39Å; P116-C148 HydrophobicContact CB-CB 4.22Å; P116-C148 WeakPolarHBondContact CB-O 3.42Å; F117-C148 PolarHBondContact N-O 3.4Å; F117-C148 VanDerWaalsContact N-O 3.14Å; C148-L172 HydrophobicContact CB-CD2 3.8Å
149W97Very high94.8Very high56 Ų5650 Ų5021%0.21226%0.255CS..EExtended strand (participates in β ladder)trans-144.4155.4172.160.2-95.9000112.3F117 L141 F144F117-W149 HydrophobicContact CD1-CB 3.87Å; F117-W149 HydrophobicContact CD2-CB 4.17Å; F117-W149 HydrophobicContact CE1-CB 3.49Å; F117-W149 VanDerWaalsContact CE1-CB 3.49Å; F117-W149 HydrophobicContact CE1-CG 4.09Å; F117-W149 HydrophobicContact CE2-CB 3.81Å; F117-W149 HydrophobicContact CE2-CG 4.46Å; F117-W149 HydrophobicContact CG-CB 4.2Å; F117-W149 HydrophobicContact CZ-CB 3.45Å; F117-W149 VanDerWaalsContact CZ-CB 3.45Å; F117-W149 AromaticContact CZ-CG 3.84Å; F117-W149 HydrophobicContact CZ-CG 3.84Å; F117-W149 WeakPolarHBondContact O-CA 3.49Å; F117-W149 WeakPolarHBondContact O-CB 3.25Å; L141-W149 HydrophobicContact CB-CD2 4.12Å; L141-W149 HydrophobicContact CB-CE3 4.08Å; L141-W149 HydrophobicContact CB-CH2 3.62Å; L141-W149 HydrophobicContact CB-CZ2 3.64Å; L141-W149 HydrophobicContact CB-CZ3 3.85Å; L141-W149 HydrophobicContact CD1-CE3 3.84Å; L141-W149 HydrophobicContact CD1-CH2 4.2Å; L141-W149 HydrophobicContact CD1-CZ3 3.62Å; L141-W149 HydrophobicContact CG-CZ3 4.37Å; L141-W149 PolarHBondContact O-NE1 3.14Å; F144-W149 PolarHBondContact O-NE1 3.46Å
150E97.8Very high94.8Very high40 Ų4056.6 Ų56.619%0.18729%0.286CS..EExtended strand (participates in β ladder)trans-134.1151170.8-71.6-168.5-125.500110.3F117 L118 V119 R152 S168 L172F117-E150 PolarHBondContact O-N 3.22Å; L118-E150 HydrophobicContact CD1-CB 3.93Å; V119-E150 PolarHBondContact N-O 3.49Å; E150-R152 IonicContact OE2-CZ 3.73Å; E150-R152 IonicContact OE2-NE 2.87Å; E150-R152 PolarHBondContact OE2-NE 3.14Å; E150-R152 IonicContact OE2-NH2 2.86Å; E150-R152 PolarHBondContact OE2-NH2 2.79Å; E150-S168 VanDerWaalsContact CD-OG 3.29Å; E150-S168 VanDerWaalsContact OE2-CB 3.29Å; E150-S168 WeakPolarHBondContact OE2-CB 3.17Å; E150-S168 PolarHBondContact OE2-OG 3.11Å; E150-L172 HydrophobicContact CG-CD2 4.46Å
151L98.3Very high94.8Very high24 Ų2454.5 Ų54.513%0.12627%0.274CS..EExtended strand (participates in β ladder)trans-118.9125.5172171.864.5000108.7V119 A121 L132 I135 R136 L141V119-L151 HydrophobicContact CB-CD1 3.77Å; V119-L151 HydrophobicContact CG1-CD1 3.61Å; V119-L151 WeakPolarHBondContact O-CA 3.14Å; A121-L151 HydrophobicContact CB-CD1 4.14Å; L132-L151 HydrophobicContact CB-CD2 4.08Å; L132-L151 HydrophobicContact CD2-CG 4.42Å; L132-L151 WeakPolarHBondContact O-CD2 3.47Å; I135-L151 HydrophobicContact CG2-CD1 4.19Å; I135-L151 HydrophobicContact CG2-CD2 4.37Å; R136-L151 HydrophobicContact CB-CD2 3.76Å; L141-L151 HydrophobicContact CD1-CB 4.15Å; L141-L151 HydrophobicContact CD1-CD2 4.34Å
152R98.3Very high94.7Very high98 Ų9855 Ų5537%0.3728%0.276SS..EExtended strand (participates in β ladder)trans-129.2138.7177.1-62.9-65.8178.3-172.9-7110.6L118 V119 L120 A121 E150 S168L118-R152 HydrophobicContact CD1-CB 4.41Å; L118-R152 HydrophobicContact CD1-CG 3.96Å; V119-R152 PolarHBondContact O-N 3.08Å; L120-R152 WeakPolarHBondContact CA-O 3.45Å; L120-R152 HydrophobicContact CD2-CB 4.16Å; A121-R152 PolarHBondContact N-O 3.45Å; E150-R152 IonicContact OE2-CZ 3.73Å; E150-R152 IonicContact OE2-NE 2.87Å; E150-R152 PolarHBondContact OE2-NE 3.14Å; E150-R152 IonicContact OE2-NH2 2.86Å; E150-R152 PolarHBondContact OE2-NH2 2.79Å; R152-S168 PolarHBondContact NE-OG 2.89Å; R152-S168 PolarHBondContact NH2-OG 2.89Å
153G98.3Very high94.5Very high20 Ų2055.3 Ų55.321%0.20629%0.285CS..EExtended strand (participates in β ladder)trans-80.1140.9165.900000109.9A121A121-G153 WeakPolarHBondContact O-CA 3.26Å
154C98Very high94.4Very high2 Ų254.4 Ų54.41%0.01429%0.285CS..  trans-151168.3174.1670000112.4A121 N122 K123 Q124 E160 L162A121-C154 PolarHBondContact O-N 3.18Å; N122-C154 CarbonylContact C-O 3.56Å; N122-C154 WeakPolarHBondContact CA-O 3.44Å; N122-C154 PolarHBondContact OD1-O 3.4Å; K123-C154 PolarHBondContact N-O 2.83Å; K123-C154 VanDerWaalsContact N-O 3.08Å; Q124-C154 PolarHBondContact N-O 3.38Å; Q124-C154 VanDerWaalsContact N-O 3.14Å; C154-E160 CarbonylContact C-O 3.55Å; C154-E160 VanDerWaalsContact CA-O 3.25Å; C154-E160 WeakPolarHBondContact CA-O 3.33Å; C154-E160 WeakPolarHBondContact CB-O 3.49Å; C154-L162 HydrophobicContact CB-CD2 3.79Å
155S96.8Very high94.4Very high1 Ų153.6 Ų53.61%0.00728%0.283CS..  trans-126.9115.2168.2-178.90000109.9E125 L157 T158 G159 E160E125-S155 WeakPolarHBondContact OE2-CB 3.33Å; E125-S155 PolarHBondContact OE2-OG 3.07Å; S155-L157 PolarHBondContact O-N 2.97Å; S155-L157 PolarHBondContact OG-N 3.29Å; S155-T158 WeakPolarHBondContact CB-OG1 3.46Å; S155-T158 PolarHBondContact OG-N 2.78Å; S155-T158 PolarHBondContact OG-OG1 2.66Å; S155-G159 WeakPolarHBondContact O-CA 3.49Å; S155-G159 PolarHBondContact O-N 2.91Å; S155-E160 PolarHBondContact N-O 3.25Å
156A93.6Very high94.3Very high4 Ų447.2 Ų47.23%0.03325%0.254CS..THydrogen-bonded Turntrans-62.7-30.5168.100000111.9T27 L28 K31 N122T27-A156 HydrophobicContact CG2-CB 3.82Å; L28-A156 HydrophobicContact CB-CB 4.5Å; L28-A156 HydrophobicContact CD2-CB 3.57Å; L28-A156 HydrophobicContact CG-CB 3.66Å; K31-A156 WeakPolarHBondContact CD-O 3.29Å; K31-A156 WeakPolarHBondContact CG-O 3.36Å; N122-A156 PolarHBondContact OD1-N 3.42Å
157L92.3Very high94.2Very high85 Ų8549.4 Ų49.445%0.44526%0.262SS..THydrogen-bonded Turntrans-70.7-58.1-178.5-179.461000110.7K31 L37 E125 S155K31-L157 PolarHBondContact NZ-O 3.28Å; L37-L157 HydrophobicContact CD1-CD1 3.67Å; L37-L157 HydrophobicContact CD2-CD1 3.56Å; L37-L157 HydrophobicContact CG-CD1 4.27Å; E125-L157 HydrophobicContact CG-CD2 4.23Å; S155-L157 PolarHBondContact O-N 2.97Å; S155-L157 PolarHBondContact OG-N 3.29Å
158T93.3Very high94.2Very high73 Ų7348.2 Ų48.245%0.44826%0.258SS..THydrogen-bonded Turntrans-82.6-34.5-175.773.30000111.7K31 E125 S155 E160K31-T158 WeakPolarHBondContact CE-O 3.42Å; K31-T158 PolarHBondContact NZ-O 2.73Å; K31-T158 VanDerWaalsContact NZ-O 3.11Å; E125-T158 HydrophobicContact CB-CG2 4.09Å; E125-T158 HydrophobicContact CG-CG2 4.41Å; S155-T158 WeakPolarHBondContact CB-OG1 3.46Å; S155-T158 PolarHBondContact OG-N 2.78Å; S155-T158 PolarHBondContact OG-OG1 2.66Å; T158-E160 WeakPolarHBondContact OG1-CB 3.34Å; T158-E160 PolarHBondContact OG1-N 3.43Å; T158-E160 VanDerWaalsContact OG1-N 3.14Å
159G91.6Very high94Very high19 Ų1945.9 Ų45.920%0.19624%0.241CC..  trans94.6-1.5-17100000113.8S155 L162S155-G159 WeakPolarHBondContact O-CA 3.49Å; S155-G159 PolarHBondContact O-N 2.91Å; G159-L162 WeakPolarHBondContact O-CB 3.34Å; G159-L162 WeakPolarHBondContact O-CG 3.3Å; G159-L162 PolarHBondContact O-N 2.85Å
160E95.5Very high93.6Very high140 Ų14047.3 Ų47.365%0.65425%0.247SC*.THydrogen-bonded Turntrans-61.2140.6176.2-170.9175-179.700111.3C154 S155 T158 L162C154-E160 CarbonylContact C-O 3.55Å; C154-E160 VanDerWaalsContact CA-O 3.25Å; C154-E160 WeakPolarHBondContact CA-O 3.33Å; C154-E160 WeakPolarHBondContact CB-O 3.49Å; S155-E160 PolarHBondContact N-O 3.25Å; T158-E160 WeakPolarHBondContact OG1-CB 3.34Å; T158-E160 PolarHBondContact OG1-N 3.43Å; T158-E160 VanDerWaalsContact OG1-N 3.14Å; E160-L162 PolarHBondContact O-N 3.36Å
161G94.9Very high93.2Very high14 Ų1448.1 Ų48.114%0.14426%0.257CS..THydrogen-bonded Turntrans76.1-10.3-179.300000115.5E164 A165G161-E164 VanDerWaalsContact CA-OE2 3.24Å; G161-E164 WeakPolarHBondContact CA-OE2 3.28Å; G161-A165 VanDerWaalsContact O-CB 3.31Å; G161-A165 WeakPolarHBondContact O-CB 3.22Å; G161-A165 PolarHBondContact O-N 3.25Å
162L91.4Very high92.9Very high11 Ų1147.1 Ų47.16%0.05825%0.252CS..Hα-helixtrans-67.6-40178.1-59.3-174.3000113.9L28 K31 L32 C154 G159 E160 E164 A165 L166L28-L162 HydrophobicContact CD2-CD1 4.43Å; L28-L162 HydrophobicContact CD2-CD2 3.42Å; L28-L162 VanDerWaalsContact CD2-CD2 3.42Å; K31-L162 HydrophobicContact CB-CD1 4.13Å; K31-L162 HydrophobicContact CG-CD1 3.57Å; L32-L162 HydrophobicContact CD2-CB 4.21Å; L32-L162 HydrophobicContact CD2-CD1 4.25Å; C154-L162 HydrophobicContact CB-CD2 3.79Å; G159-L162 WeakPolarHBondContact O-CB 3.34Å; G159-L162 WeakPolarHBondContact O-CG 3.3Å; G159-L162 PolarHBondContact O-N 2.85Å; E160-L162 PolarHBondContact O-N 3.36Å; L162-E164 VanDerWaalsContact C-N 3.32Å; L162-E164 PolarHBondContact O-N 2.81Å; L162-A165 PolarHBondContact O-N 2.83Å; L162-L166 WeakPolarHBondContact O-CG 3.41Å; L162-L166 PolarHBondContact O-N 3.29Å
163P89.9Confident92.4Very high84 Ų8443.2 Ų43.255%0.54524%0.238SC..Hα-helixtrans-58.2-43.6174.5-25.636.2000112.8L166 Q167P163-L166 PolarHBondContact O-N 2.84Å; P163-Q167 PolarHBondContact O-N 3.44Å
164E92.6Very high91.7Very high95 Ų9549.7 Ų49.744%0.44426%0.26SS..Hα-helixtrans-67.5-42.7177.5-63.877-172.600111G161 L162 L166 Q167 S168G161-E164 VanDerWaalsContact CA-OE2 3.24Å; G161-E164 WeakPolarHBondContact CA-OE2 3.28Å; L162-E164 VanDerWaalsContact C-N 3.32Å; L162-E164 PolarHBondContact O-N 2.81Å; E164-L166 VanDerWaalsContact C-N 3.33Å; E164-L166 PolarHBondContact O-N 3.37Å; E164-Q167 WeakPolarHBondContact O-CB 3.32Å; E164-Q167 PolarHBondContact O-N 2.96Å; E164-Q167 VanDerWaalsContact O-N 3.12Å; E164-S168 PolarHBondContact O-N 3.02Å; E164-S168 PolarHBondContact O-OG 3.23Å
165A92.8Very high90.8Very high6 Ų651.6 Ų51.65%0.0527%0.274CS..Hα-helixtrans-58.2-43.3173.600000112.2L118 L120 G161 L162 Q167 S168 L169L118-A165 HydrophobicContact CD2-CB 4.35Å; L118-A165 WeakPolarHBondContact CD2-O 3.11Å; L120-A165 HydrophobicContact CD2-CB 3.62Å; G161-A165 VanDerWaalsContact O-CB 3.31Å; G161-A165 WeakPolarHBondContact O-CB 3.22Å; G161-A165 PolarHBondContact O-N 3.25Å; L162-A165 PolarHBondContact O-N 2.83Å; A165-Q167 VanDerWaalsContact C-N 3.31Å; A165-Q167 PolarHBondContact O-N 3.45Å; A165-S168 PolarHBondContact O-N 3.04Å; A165-L169 WeakPolarHBondContact O-CB 3.28Å; A165-L169 PolarHBondContact O-N 3.11Å
166L88.8Confident89.6Confident36 Ų3654 Ų5419%0.18828%0.283CS..Hα-helixtrans-64.8-35.5175.1-74.6175000112.1L32 L51 L162 P163 E164 L169 R170L32-L166 HydrophobicContact CD2-CD1 3.84Å; L32-L166 HydrophobicContact CD2-CD2 3.96Å; L32-L166 HydrophobicContact CD2-CG 3.9Å; L51-L166 HydrophobicContact CD2-CD2 4.33Å; L162-L166 WeakPolarHBondContact O-CG 3.41Å; L162-L166 PolarHBondContact O-N 3.29Å; P163-L166 PolarHBondContact O-N 2.84Å; E164-L166 VanDerWaalsContact C-N 3.33Å; E164-L166 PolarHBondContact O-N 3.37Å; L166-L169 HydrophobicContact CD2-CD2 4.46Å; L166-R170 WeakPolarHBondContact O-CD 3.16Å; L166-R170 VanDerWaalsContact O-CG 3.22Å; L166-R170 WeakPolarHBondContact O-CG 3.41Å; L166-R170 PolarHBondContact O-N 3.14Å
167Q89.4Confident88.3Confident142 Ų14259.2 Ų59.266%0.66430%0.302SS*.Hα-helixtrans-66.3-45.8174.7-171.8176.821.900111.6P163 E164 A165 R170 S171P163-Q167 PolarHBondContact O-N 3.44Å; E164-Q167 WeakPolarHBondContact O-CB 3.32Å; E164-Q167 PolarHBondContact O-N 2.96Å; E164-Q167 VanDerWaalsContact O-N 3.12Å; A165-Q167 VanDerWaalsContact C-N 3.31Å; A165-Q167 PolarHBondContact O-N 3.45Å; Q167-R170 PolarHBondContact O-N 2.99Å; Q167-S171 PolarHBondContact O-N 3.35Å
168S92.9Very high86.6Confident5 Ų558.5 Ų58.54%0.03530%0.303CS..Hα-helixtrans-57.6-47.4172.7-69.20000111.4E150 R152 E164 A165 R170 S171 L172E150-S168 VanDerWaalsContact CD-OG 3.29Å; E150-S168 VanDerWaalsContact OE2-CB 3.29Å; E150-S168 WeakPolarHBondContact OE2-CB 3.17Å; E150-S168 PolarHBondContact OE2-OG 3.11Å; R152-S168 PolarHBondContact NE-OG 2.89Å; R152-S168 PolarHBondContact NH2-OG 2.89Å; E164-S168 PolarHBondContact O-N 3.02Å; E164-S168 PolarHBondContact O-OG 3.23Å; A165-S168 PolarHBondContact O-N 3.04Å; S168-R170 VanDerWaalsContact C-N 3.31Å; S168-R170 PolarHBondContact O-N 2.64Å; S168-S171 WeakPolarHBondContact O-CA 3.02Å; S168-S171 VanDerWaalsContact O-CB 3.29Å; S168-S171 WeakPolarHBondContact O-CB 3.48Å; S168-S171 PolarHBondContact O-N 2.9Å; S168-L172 WeakPolarHBondContact O-CG 3.32Å; S168-L172 PolarHBondContact O-N 3.2Å
169L90.9Very high85Confident8 Ų859.3 Ų59.34%0.04230%0.304CS..Hα-helixtrans-55.9-45.5177.4-175.464.4000111.8V15 L59 T83 V85 L118 A165 L166 S171 L172 L173V15-L169 HydrophobicContact CG1-CD1 4.27Å; L59-L169 HydrophobicContact CD1-CD2 4.02Å; T83-L169 HydrophobicContact CG2-CD1 3.29Å; T83-L169 HydrophobicContact CG2-CG 4.48Å; V85-L169 HydrophobicContact CG2-CD1 3.74Å; L118-L169 HydrophobicContact CD2-CB 4.21Å; A165-L169 WeakPolarHBondContact O-CB 3.28Å; A165-L169 PolarHBondContact O-N 3.11Å; L166-L169 HydrophobicContact CD2-CD2 4.46Å; L169-S171 VanDerWaalsContact C-N 3.34Å; L169-S171 PolarHBondContact O-N 2.81Å; L169-L172 PolarHBondContact O-N 2.57Å; L169-L173 HydrophobicContact CG-CD1 4.31Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.39Å; L169-L173 PolarHBondContact O-N 3.14Å
170R87.4Confident83.2Confident86 Ų8660.8 Ų60.833%0.32531%0.311SS..Hα-helixtrans-64.2-38.1176.2-70.8167.1-174.2-168.1-0.5112.6P54 L166 Q167 S168 K174P54-R170 PolarHBondContact O-NH1 2.58Å; P54-R170 VanDerWaalsContact O-NH1 3.14Å; P54-R170 PolarHBondContact O-NH2 2.88Å; L166-R170 WeakPolarHBondContact O-CD 3.16Å; L166-R170 VanDerWaalsContact O-CG 3.22Å; L166-R170 WeakPolarHBondContact O-CG 3.41Å; L166-R170 PolarHBondContact O-N 3.14Å; Q167-R170 PolarHBondContact O-N 2.99Å; S168-R170 VanDerWaalsContact C-N 3.31Å; S168-R170 PolarHBondContact O-N 2.64Å; R170-K174 WeakPolarHBondContact O-CG 3.49Å; R170-K174 PolarHBondContact O-N 2.99Å; R170-K174 VanDerWaalsContact O-N 3.13Å
171S89.9Confident81.1Confident57 Ų5759.9 Ų59.940%0.39931%0.31SS..Hα-helixtrans-61-51175.6-173.40000110.5Q167 S168 L169 L173 K174 S175Q167-S171 PolarHBondContact O-N 3.35Å; S168-S171 WeakPolarHBondContact O-CA 3.02Å; S168-S171 VanDerWaalsContact O-CB 3.29Å; S168-S171 WeakPolarHBondContact O-CB 3.48Å; S168-S171 PolarHBondContact O-N 2.9Å; L169-S171 VanDerWaalsContact C-N 3.34Å; L169-S171 PolarHBondContact O-N 2.81Å; S171-L173 PolarHBondContact O-N 3.4Å; S171-K174 WeakPolarHBondContact O-CB 3.36Å; S171-K174 PolarHBondContact O-N 3.49Å; S171-K174 VanDerWaalsContact O-N 3.1Å; S171-S175 PolarHBondContact O-N 2.92Å; S171-S175 PolarHBondContact O-OG 3.17Å
172L91.9Very high78.9Confident4 Ų465.1 Ų65.12%0.02133%0.331CS..Hα-helixtrans-59.7-43.2178.7-66.2174.4000112.5P116 L118 C148 E150 S168 L169 K174 S175 R176P116-L172 HydrophobicContact CB-CB 4.06Å; P116-L172 HydrophobicContact CB-CD2 4Å; P116-L172 HydrophobicContact CB-CG 4.46Å; P116-L172 HydrophobicContact CG-CB 4.25Å; L118-L172 HydrophobicContact CB-CD1 3.89Å; C148-L172 HydrophobicContact CB-CD2 3.8Å; E150-L172 HydrophobicContact CG-CD2 4.46Å; S168-L172 WeakPolarHBondContact O-CG 3.32Å; S168-L172 PolarHBondContact O-N 3.2Å; L169-L172 PolarHBondContact O-N 2.57Å; L172-K174 VanDerWaalsContact C-N 3.3Å; L172-K174 PolarHBondContact O-N 2.88Å; L172-S175 WeakPolarHBondContact O-CB 3.32Å; L172-S175 PolarHBondContact O-N 3.25Å; L172-R176 PolarHBondContact O-N 3.43Å
173L87.6Confident76.9Confident15 Ų1571.6 Ų71.68%0.07936%0.361CS..Hα-helixtrans-62.7-35.1176.2-73.7172000112.9A13 L59 D82 T83 L169 S171 R177A13-L173 HydrophobicContact CB-CD1 4.15Å; A13-L173 HydrophobicContact CB-CD2 3.76Å; L59-L173 HydrophobicContact CD2-CD1 3.67Å; D82-L173 HydrophobicContact CB-CD2 3.7Å; T83-L173 HydrophobicContact CG2-CD2 3.8Å; T83-L173 HydrophobicContact CG2-CG 4.17Å; L169-L173 HydrophobicContact CG-CD1 4.31Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.39Å; L169-L173 PolarHBondContact O-N 3.14Å; S171-L173 PolarHBondContact O-N 3.4Å; L173-R177 WeakPolarHBondContact O-CG 3.43Å; L173-R177 PolarHBondContact O-N 3.28Å
174K84.9Confident75Confident156 Ų15677.5 Ų77.568%0.67837%0.372SS*.Hα-helixtrans-69.5-41.2174-73.3173.6-179-177.60111.4R170 S171 L172 R176 R177 C178R170-K174 WeakPolarHBondContact O-CG 3.49Å; R170-K174 PolarHBondContact O-N 2.99Å; R170-K174 VanDerWaalsContact O-N 3.13Å; S171-K174 WeakPolarHBondContact O-CB 3.36Å; S171-K174 PolarHBondContact O-N 3.49Å; S171-K174 VanDerWaalsContact O-N 3.1Å; L172-K174 VanDerWaalsContact C-N 3.3Å; L172-K174 PolarHBondContact O-N 2.88Å; K174-R176 PolarHBondContact O-N 2.85Å; K174-R177 PolarHBondContact O-N 3.29Å; K174-C178 PolarHBondContact O-N 2.93Å; K174-C178 VanDerWaalsContact O-N 3.11Å
175S78.4Confident72.9Confident43 Ų4376.2 Ų76.230%0.30138%0.378SS..Hα-helixtrans-60.5-44.2178.3-58.50000112.1S171 L172 R177 C178 L179S171-S175 PolarHBondContact O-N 2.92Å; S171-S175 PolarHBondContact O-OG 3.17Å; L172-S175 WeakPolarHBondContact O-CB 3.32Å; L172-S175 PolarHBondContact O-N 3.25Å; S175-R177 PolarHBondContact O-N 3.44Å; S175-C178 WeakPolarHBondContact O-CB 3.46Å; S175-C178 PolarHBondContact O-N 3.43Å; S175-L179 PolarHBondContact O-N 3.06Å
176R71.8Confident70.6Confident50 Ų5078.5 Ų78.519%0.18940%0.402CS..Hα-helixtrans-62.2-43.2176.4-170.5176.8-165.2-134.417.6112.5T81 D82 P116 L172 K174 C178 L179 C180T81-R176 PolarHBondContact O-NH1 3.31Å; T81-R176 PolarHBondContact O-NH2 2.6Å; D82-R176 WeakPolarHBondContact O-CD 3.47Å; D82-R176 IonicContact OD1-CZ 3.21Å; D82-R176 IonicContact OD1-NH1 2.67Å; D82-R176 PolarHBondContact OD1-NH1 2.88Å; P116-R176 HydrophobicContact CG-CB 4.12Å; L172-R176 PolarHBondContact O-N 3.43Å; K174-R176 PolarHBondContact O-N 2.85Å; R176-C178 VanDerWaalsContact C-N 3.25Å; R176-C178 PolarHBondContact O-N 3.41Å; R176-L179 PolarHBondContact O-N 3.44Å; R176-C180 PolarHBondContact O-N 3.12Å
177R66.6Low68.4Low114 Ų11479.7 Ų79.743%0.4342%0.423SS..Hα-helixtrans-61.8-34.9177.8-74.6180173.3-172.2-1.5112.1A11 L173 K174 S175 L181A11-R177 PolarHBondContact O-NH2 3.05Å; L173-R177 WeakPolarHBondContact O-CG 3.43Å; L173-R177 PolarHBondContact O-N 3.28Å; K174-R177 PolarHBondContact O-N 3.29Å; S175-R177 PolarHBondContact O-N 3.44Å; R177-L181 WeakPolarHBondContact O-CB 3.43Å; R177-L181 WeakPolarHBondContact O-CD1 3.17Å; R177-L181 WeakPolarHBondContact O-CG 3.3Å; R177-L181 PolarHBondContact O-N 3.11Å; R177-L181 VanDerWaalsContact O-N 3.16Å
178C56.9Low66.4Low70 Ų7076.9 Ų76.947%0.47342%0.424SS..Hα-helixtrans-65.2-45.5175.3-166.10000111.7K174 S175 R176 L181 Q182K174-C178 PolarHBondContact O-N 2.93Å; K174-C178 VanDerWaalsContact O-N 3.11Å; S175-C178 WeakPolarHBondContact O-CB 3.46Å; S175-C178 PolarHBondContact O-N 3.43Å; R176-C178 VanDerWaalsContact C-N 3.25Å; R176-C178 PolarHBondContact O-N 3.41Å; C178-L181 PolarHBondContact O-N 3.43Å; C178-Q182 WeakPolarHBondContact O-CG 3.4Å; C178-Q182 PolarHBondContact O-N 3.17Å
179L58.6Low64.2Low90 Ų9085.1 Ų85.147%0.47146%0.462SS..Hα-helixtrans-64.6-48.4178.7-69.1163.8000112.3S175 R176 L181 Q182 E183S175-L179 PolarHBondContact O-N 3.06Å; R176-L179 PolarHBondContact O-N 3.44Å; L179-L181 VanDerWaalsContact C-N 3.31Å; L179-L181 PolarHBondContact O-N 3.08Å; L179-Q182 PolarHBondContact O-N 2.93Å; L179-Q182 VanDerWaalsContact O-N 3.17Å; L179-E183 PolarHBondContact O-N 3.05Å; L179-E183 VanDerWaalsContact O-N 3.12Å
180C53.3Low61.9Low50 Ų5096.5 Ų96.534%0.33850%0.504SS..Hα-helixtrans-62.9-33.7177.9-78.90000113.5R176 R184R176-C180 PolarHBondContact O-N 3.12Å; C180-R184 WeakPolarHBondContact O-CG 3.49Å; C180-R184 PolarHBondContact O-N 3.12Å
181L52.8Low59.9Low122 Ų12295.7 Ų95.764%0.63952%0.523SS*.Hα-helixtrans-70.4-34.2177-75.2170.5000111.9R177 C178 L179 A185R177-L181 WeakPolarHBondContact O-CB 3.43Å; R177-L181 WeakPolarHBondContact O-CD1 3.17Å; R177-L181 WeakPolarHBondContact O-CG 3.3Å; R177-L181 PolarHBondContact O-N 3.11Å; R177-L181 VanDerWaalsContact O-N 3.16Å; C178-L181 PolarHBondContact O-N 3.43Å; L179-L181 VanDerWaalsContact C-N 3.31Å; L179-L181 PolarHBondContact O-N 3.08Å; L181-A185 WeakPolarHBondContact O-CB 3.23Å; L181-A185 PolarHBondContact O-N 3.29Å; L181-A185 VanDerWaalsContact O-N 3.11Å
182Q47.4Very low57.8Low124 Ų124100.8 Ų100.858%0.57955%0.545SS*.Hα-helixtrans-69.2-42176.1-73.9175.5-23.700112.1C178 L179 A185 G186C178-Q182 WeakPolarHBondContact O-CG 3.4Å; C178-Q182 PolarHBondContact O-N 3.17Å; L179-Q182 PolarHBondContact O-N 2.93Å; L179-Q182 VanDerWaalsContact O-N 3.17Å; Q182-A185 PolarHBondContact O-N 3.46Å; Q182-G186 PolarHBondContact O-N 3.44Å
183E49.9Very low55.7Low147 Ų147106.2 Ų106.269%0.68758%0.584SS**Hα-helixtrans-65.1-40177-68.8-178.3152.700112.4L179 A185 G186 G187L179-E183 PolarHBondContact O-N 3.05Å; L179-E183 VanDerWaalsContact O-N 3.12Å; E183-A185 VanDerWaalsContact C-N 3.35Å; E183-G186 PolarHBondContact O-N 3.45Å; E183-G187 PolarHBondContact O-N 3.26Å; E183-G187 VanDerWaalsContact O-N 3.08Å
184R49.6Very low53.8Low207 Ų207114.8 Ų114.878%0.78162%0.62SS**Hα-helixtrans-67.3-33.4175.4-73-178.6179.4-165.80.3113.1C180C180-R184 WeakPolarHBondContact O-CG 3.49Å; C180-R184 PolarHBondContact O-N 3.12Å
185A49.4Very low51.9Low69 Ų69119.4 Ų119.457%0.5763%0.634SS**Hα-helixtrans-72.7-37.2174.800000112.2L181 Q182 E183L181-A185 WeakPolarHBondContact O-CB 3.23Å; L181-A185 PolarHBondContact O-N 3.29Å; L181-A185 VanDerWaalsContact O-N 3.11Å; Q182-A185 PolarHBondContact O-N 3.46Å; E183-A185 VanDerWaalsContact C-N 3.35Å
186G44.2Very low50.4Low53 Ų53127 Ų12755%0.54669%0.687SS.*Hα-helixtrans-76.2-19.3178.200000115.1Q182 E183Q182-G186 PolarHBondContact O-N 3.44Å; E183-G186 PolarHBondContact O-N 3.45Å
187G43Very low49.3Very low61 Ų61130.8 Ų130.863%0.62971%0.711SS**G310 helixtrans-79.7-13.6177.100000115.2E183E183-G187 PolarHBondContact O-N 3.26Å; E183-G187 VanDerWaalsContact O-N 3.08Å
188A46.8Very low48.4Very low84 Ų84131.7 Ų131.769%0.69473%0.726SS**G310 helixtrans-84.3-6.3-174.700000114.7
189E46.3Very low47.9Very low177 Ų177135.1 Ų135.183%0.82774%0.74SS**G310 helixtrans-103.74.7-174-67.6-167.3129.400115.5
190R43Very low47.3Very low247 Ų247137.8 Ų137.893%0.93276%0.756SS**SBendtrans-11134.4-178.5-77.3-172.1-167.2-1443.4115.3
191G46.1Very low46.9Very low69 Ų69143.3 Ų143.371%0.71178%0.782SS**SBendtrans-136.129-172.300000116.7
192D45.2Very low46.5Very low164 Ų164144.7 Ų144.788%0.87779%0.792SS**  trans-157.382.4162.1-1462.1000113.4
193S48.1Very low46.5Very low119 Ų119146.1 Ų146.183%0.83281%0.807SS**  trans-159.884.9157.7-153.80000110
194K46.9Very low46.2Very low194 Ų194146.1 Ų146.184%0.84382%0.816SS**  trans-178.496.2148-101.9173.9-168.5-1710109.8
195R45.5Very low45.9Very low253 Ų253141 Ų14196%0.95582%0.819SS**  trans-171.499.1135.4-103.5169.7-151.8-1063.8108.5
196S46.8Very low45.6Very low202 Ų202147.5 Ų147.5100%1.41384%0.842SS**  trans-124.80151.1-60.50000106.4

Retrieved 196 of 196 residues in 884.5 ms (Link to these results)

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