DIRA2_HUMAN Loading...

GTP-binding protein Di-Ras2

Displays low GTPase activity and exists predominantly in the GTP-bound form.

AlphaFold DB , UniProt , Accession Q96HU8, Species HUMAN (Homo sapiens, Human), Gene DIRAS2, Length 199 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
1M35.9Very low72.8Confident230 Ų23088.1 Ų88.1100%1.13345%0.451SS*.  0131.10-66.1-167.2164.400107E3M1-E3 PolarHBondContact O-N 3.39Å; M1-E3 VanDerWaalsContact O-N 3.15Å
2P39.9Very low75Confident128 Ų12880.9 Ų80.983%0.83141%0.414SS*.  trans-57.8124.1173.324.5-30.5000107.7Q4P2-Q4 PolarHBondContact O-N 3.35Å
3E45.5Very low76.7Confident191 Ų19174.8 Ų74.889%0.89338%0.383SS*.  trans-55.7115.3179.8-164.7171.4-16900107.7M1 S5M1-E3 PolarHBondContact O-N 3.39Å; M1-E3 VanDerWaalsContact O-N 3.15Å; E3-S5 VanDerWaalsContact C-N 3.35Å; E3-S5 PolarHBondContact O-N 3.36Å
4Q53.5Low78.3Confident192 Ų19269.6 Ų69.690%0.89736%0.358SS*.  trans-68.698.9-175.4-147.9157.233.200106.6P2 N6P2-Q4 PolarHBondContact O-N 3.35Å; Q4-N6 PolarHBondContact O-N 3.15Å; Q4-N6 VanDerWaalsContact O-N 3.14Å
5S66.4Low79.5Confident59 Ų5965.5 Ų65.541%0.41334%0.338SS..  trans-50.7123.7-175.764.40000108.8E3 D7E3-S5 VanDerWaalsContact C-N 3.35Å; E3-S5 PolarHBondContact O-N 3.36Å; S5-D7 PolarHBondContact O-N 3.19Å
6N82Confident80.5Confident69 Ų6963.4 Ų63.437%0.36934%0.338SS..  trans-74.924.4-179.3-156.217.9000112.7Q4 C55 R172Q4-N6 PolarHBondContact O-N 3.15Å; Q4-N6 VanDerWaalsContact O-N 3.14Å; N6-C55 HydrophobicContact CB-CB 4.26Å; N6-C55 WeakPolarHBondContact O-CB 3.41Å; N6-R172 PolarHBondContact OD1-NH1 3.45Å
7D90.9Very high81.3Confident20 Ų2061.2 Ų61.211%0.10733%0.333CS..  trans-70.5133.2-169-68.4-7.2000111.1S5 R45 T56 Q58 H80S5-D7 PolarHBondContact O-N 3.19Å; D7-R45 IonicContact OD2-NH1 3.71Å; D7-T56 CarbonylContact C-O 3.57Å; D7-T56 VanDerWaalsContact CA-O 3.24Å; D7-T56 WeakPolarHBondContact CA-O 3.22Å; D7-T56 WeakPolarHBondContact OD1-CB 3.37Å; D7-T56 PolarHBondContact OD1-OG1 2.99Å; D7-Q58 HydrophobicContact CB-CG 4.21Å; D7-Q58 PolarHBondContact OD2-NE2 3.4Å; D7-H80 PolarHBondContact O-CE1 3.49Å; D7-H80 PolarHBondContact O-ND1 3.09Å
8Y94.9Very high82.2Confident4 Ų457.9 Ų57.92%0.01632%0.315CS..EExtended strand (participates in β ladder)trans-91.5128.4170.6-161.1-99.5000108.8V10 T56 L57 Q58 H80 A81 L166 E169 V174Y8-V10 HydrophobicContact CD1-CG2 4.2Å; Y8-V10 HydrophobicContact CE1-CG2 4.22Å; Y8-T56 PolarHBondContact N-O 2.72Å; Y8-L57 HydrophobicContact CD1-CD1 3.83Å; Y8-L57 CarbonylContact O-C 3.57Å; Y8-L57 WeakPolarHBondContact O-CA 3.48Å; Y8-Q58 PolarHBondContact O-N 2.93Å; Y8-H80 HydrophobicContact CD2-CB 4.09Å; Y8-H80 HydrophobicContact CE1-CB 4.34Å; Y8-H80 HydrophobicContact CE2-CB 3.69Å; Y8-A81 HydrophobicContact CE1-CB 3.89Å; Y8-L166 HydrophobicContact CD1-CD2 3.57Å; Y8-L166 HydrophobicContact CE1-CD2 3.56Å; Y8-L166 HydrophobicContact CG-CD2 4.49Å; Y8-E169 HydrophobicContact CE2-CB 4.4Å; Y8-E169 HydrophobicContact CE2-CG 3.8Å; Y8-E169 WeakPolarHBondContact CE2-OE2 3.39Å; Y8-E169 PolarHBondContact OH-OE2 3.44Å; Y8-V174 HydrophobicContact CD2-CG2 4.24Å; Y8-V174 HydrophobicContact CE2-CG2 4.38Å; Y8-V174 HydrophobicContact CG-CG1 4.5Å
9R96.5Very high83Confident72 Ų7255.5 Ų55.527%0.27231%0.305SS..EExtended strand (participates in β ladder)trans-118.8119.6-165.7-66.1179.5-178.9157.85.4109.1Q58 K78 H80 A81R9-Q58 CarbonylContact C-O 3.55Å; R9-Q58 WeakPolarHBondContact CA-O 3.24Å; R9-Q58 HydrophobicContact CG-CB 4.22Å; R9-K78 VanDerWaalsContact CD-O 3.32Å; R9-K78 WeakPolarHBondContact CD-O 3.39Å; R9-H80 PolarHBondContact N-ND1 3.31Å; R9-H80 WeakPolarHBondContact O-CA 3.44Å; R9-H80 WeakPolarHBondContact O-CB 3.43Å; R9-H80 PolarHBondContact O-N 2.8Å; R9-A81 PolarHBondContact O-N 2.76Å; R9-A81 VanDerWaalsContact O-N 3.14Å
10V98Very high83.8Confident2 Ų253.1 Ų53.11%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-113.3127.9177.3178.40000107.8Y8 L57 Q58 I59 T60 A81 I83 L165Y8-V10 HydrophobicContact CD1-CG2 4.2Å; Y8-V10 HydrophobicContact CE1-CG2 4.22Å; V10-L57 HydrophobicContact CG2-CD1 3.68Å; V10-Q58 PolarHBondContact N-O 3.49Å; V10-I59 CarbonylContact O-C 3.58Å; V10-I59 WeakPolarHBondContact O-CA 3.45Å; V10-T60 PolarHBondContact O-N 3.29Å; V10-A81 WeakPolarHBondContact CA-O 3.39Å; V10-A81 HydrophobicContact CG2-CB 4.21Å; V10-I83 HydrophobicContact CG1-CD1 3.89Å; V10-I83 HydrophobicContact CG1-CG1 3.89Å; V10-L165 HydrophobicContact CB-CD2 4.43Å; V10-L165 HydrophobicContact CG1-CD2 3.65Å; V10-L165 HydrophobicContact CG2-CD2 3.85Å
11A97.9Very high84.4Confident2 Ų251.6 Ų51.62%0.01729%0.285CS..EExtended strand (participates in β ladder)trans-106.2134.4169.600000110F13 A81 F82 I83A11-F13 HydrophobicContact CB-CD2 4.34Å; A11-F13 HydrophobicContact CB-CE2 3.64Å; A11-F13 HydrophobicContact CB-CZ 3.91Å; A11-A81 PolarHBondContact N-O 2.68Å; A11-A81 VanDerWaalsContact N-O 3.12Å; A11-F82 HydrophobicContact CB-CD1 4.03Å; A11-F82 HydrophobicContact CB-CE1 4.19Å; A11-F82 WeakPolarHBondContact O-CA 3.42Å; A11-I83 PolarHBondContact O-N 3.21Å
12V98.4Very high87.4Confident2 Ų242.1 Ų42.11%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-107.5114.3-179.7-171.10000108.9K20 V24 I59 T60 T62 I83 V85V12-K20 HydrophobicContact CG1-CB 3.89Å; V12-K20 HydrophobicContact CG1-CD 4.24Å; V12-K20 HydrophobicContact CG1-CG 3.99Å; V12-V24 HydrophobicContact CG2-CG2 3.91Å; V12-I59 HydrophobicContact CG2-CG2 3.76Å; V12-T60 PolarHBondContact N-O 3.24Å; V12-T62 WeakPolarHBondContact O-CB 3.35Å; V12-T62 VanDerWaalsContact O-CG2 3.27Å; V12-T62 WeakPolarHBondContact O-CG2 3.3Å; V12-T62 PolarHBondContact O-OG1 2.81Å; V12-I83 WeakPolarHBondContact CA-O 3.31Å; V12-I83 HydrophobicContact CG1-CB 4.26Å; V12-I83 HydrophobicContact CG1-CG2 4.33Å; V12-I83 HydrophobicContact CG2-CB 4.32Å; V12-I83 HydrophobicContact CG2-CD1 4.29Å; V12-V85 HydrophobicContact CG1-CG2 3.69Å
13F98Very high90.2Very high1 Ų136.1 Ų36.10%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-113.7165.5-179.8-64.2-70.5000111.7A11 T62 Q67 Q72 I76 F82 I83 L84 V85 I100A11-F13 HydrophobicContact CB-CD2 4.34Å; A11-F13 HydrophobicContact CB-CE2 3.64Å; A11-F13 HydrophobicContact CB-CZ 3.91Å; F13-T62 HydrophobicContact CD1-CG2 3.9Å; F13-T62 HydrophobicContact CE1-CG2 3.79Å; F13-Q67 VanDerWaalsContact CE1-OE1 3.27Å; F13-Q72 HydrophobicContact CD1-CG 4.49Å; F13-Q72 HydrophobicContact CE1-CG 3.83Å; F13-Q72 HydrophobicContact CZ-CG 4.27Å; F13-I76 HydrophobicContact CE2-CG1 3.92Å; F13-I76 HydrophobicContact CZ-CG1 3.82Å; F13-F82 HydrophobicContact CD2-CD1 4.36Å; F13-F82 AromaticContact CE2-CD1 3.82Å; F13-F82 HydrophobicContact CE2-CD1 3.82Å; F13-F82 HydrophobicContact CE2-CE1 4.23Å; F13-I83 PolarHBondContact N-O 3.11Å; F13-L84 HydrophobicContact CB-CD2 3.96Å; F13-L84 HydrophobicContact CD2-CD2 4.22Å; F13-V85 PolarHBondContact O-N 3.21Å; F13-I100 HydrophobicContact CB-CD1 4.17Å; F13-I100 HydrophobicContact CB-CG2 3.91Å; F13-I100 HydrophobicContact CD1-CG2 4.35Å; F13-I100 HydrophobicContact CD2-CG2 4.03Å; F13-I100 HydrophobicContact CG-CG2 3.86Å
14G97.9Very high92.6Very high3 Ų327.1 Ų27.13%0.03116%0.16CC..  trans139.5160.1-177.400000112.4K20 G64 V85G14-K20 WeakPolarHBondContact O-CE 3.49Å; G14-K20 PolarHBondContact O-NZ 3.02Å; G14-G64 WeakPolarHBondContact O-CA 3.47Å; G14-V85 VanDerWaalsContact CA-O 3.23Å; G14-V85 WeakPolarHBondContact CA-O 3.35Å
15A96.7Very high94.7Very high8 Ų819.3 Ų19.37%0.06612%0.124CC..  trans-57.3168-175.900000113.6V18 K20 S65 E96A15-V18 HydrophobicContact CB-CG1 3.85Å; A15-V18 VanDerWaalsContact O-CG2 3.3Å; A15-V18 WeakPolarHBondContact O-CG2 3.24Å; A15-K20 PolarHBondContact O-NZ 3.34Å; A15-S65 WeakPolarHBondContact CA-OG 3.36Å; A15-E96 VanDerWaalsContact CB-OE2 3.23Å; A15-E96 WeakPolarHBondContact CB-OE2 2.96Å
16G95.2Very high96.2Very high32 Ų3218.7 Ų18.733%0.3311%0.113SC..THydrogen-bonded Turntrans-55.9143.8168.500000111.6V18 S65G16-V18 PolarHBondContact O-N 3Å; G16-V18 VanDerWaalsContact O-N 3.08Å; G16-S65 PolarHBondContact N-OG 3.43Å
17G95.4Very high96.9Very high25 Ų2517.2 Ų17.226%0.25810%0.104SC..THydrogen-bonded Turntrans72.3-2.7172.100000117.8G19 Y36 K122G17-G19 PolarHBondContact O-N 3.42Å; G17-Y36 PolarHBondContact N-OH 2.88Å; G17-K122 VanDerWaalsContact O-CE 3.23Å; G17-K122 WeakPolarHBondContact O-CE 3.36Å; G17-K122 PolarHBondContact O-NZ 3.3Å
18V97.5Very high97.1Very high3 Ų317.8 Ų17.82%0.01811%0.108CC..SBendtrans-70.2-15.8178.1-55.90000113.7A15 G16 K20 V85 N121A15-V18 HydrophobicContact CB-CG1 3.85Å; A15-V18 VanDerWaalsContact O-CG2 3.3Å; A15-V18 WeakPolarHBondContact O-CG2 3.24Å; G16-V18 PolarHBondContact O-N 3Å; G16-V18 VanDerWaalsContact O-N 3.08Å; V18-K20 HydrophobicContact CG2-CD 4.46Å; V18-K20 HydrophobicContact CG2-CG 3.71Å; V18-V85 HydrophobicContact CB-CG1 4.27Å; V18-V85 HydrophobicContact CG2-CB 3.96Å; V18-V85 HydrophobicContact CG2-CG1 3.79Å; V18-N121 PolarHBondContact O-ND2 3.1Å
19G97.5Very high97.1Very high12 Ų1223.7 Ų23.712%0.12413%0.133CC..SBendtrans100.225175.600000116G17 S22 L23G17-G19 PolarHBondContact O-N 3.42Å; G19-S22 PolarHBondContact O-N 2.83Å; G19-L23 PolarHBondContact O-N 3.09Å
20K98Very high97.1Very high7 Ų722.5 Ų22.53%0.0314%0.143CC..Hα-helixtrans-50-59.7172.9-57.9-173.8-60.5-70.90112V12 G14 A15 V18 S22 L23 V24 D61 T62 V85V12-K20 HydrophobicContact CG1-CB 3.89Å; V12-K20 HydrophobicContact CG1-CD 4.24Å; V12-K20 HydrophobicContact CG1-CG 3.99Å; G14-K20 WeakPolarHBondContact O-CE 3.49Å; G14-K20 PolarHBondContact O-NZ 3.02Å; A15-K20 PolarHBondContact O-NZ 3.34Å; V18-K20 HydrophobicContact CG2-CD 4.46Å; V18-K20 HydrophobicContact CG2-CG 3.71Å; K20-S22 VanDerWaalsContact C-N 3.27Å; K20-S22 PolarHBondContact O-N 2.76Å; K20-L23 WeakPolarHBondContact O-CB 3.41Å; K20-L23 PolarHBondContact O-N 2.86Å; K20-L23 VanDerWaalsContact O-N 3.12Å; K20-V24 WeakPolarHBondContact O-CG2 3.41Å; K20-V24 PolarHBondContact O-N 3.12Å; K20-D61 WeakPolarHBondContact CB-OD1 3.49Å; K20-T62 WeakPolarHBondContact CE-O 3.46Å; K20-V85 HydrophobicContact CG-CB 4.17Å; K20-V85 HydrophobicContact CG-CG2 4.26Å
21S97.1Very high97Very high22 Ų2225.4 Ų25.415%0.15416%0.161CC..Hα-helixtrans-59.3-37.3178-51.20000112.8V24 L25 T39 D61S21-V24 PolarHBondContact O-N 2.84Å; S21-L25 VanDerWaalsContact O-CB 3.22Å; S21-L25 WeakPolarHBondContact O-CB 3.15Å; S21-L25 VanDerWaalsContact O-CG 3.26Å; S21-L25 WeakPolarHBondContact O-CG 3.31Å; S21-L25 PolarHBondContact O-N 3.07Å; S21-T39 WeakPolarHBondContact OG-CG2 3.22Å; S21-T39 PolarHBondContact OG-OG1 3.28Å; S21-D61 WeakPolarHBondContact CA-OD2 3.19Å; S21-D61 WeakPolarHBondContact CB-OD2 3.38Å; S21-D61 PolarHBondContact N-OD1 2.98Å; S21-D61 VanDerWaalsContact OG-CG 3.28Å; S21-D61 PolarHBondContact OG-OD1 3.15Å; S21-D61 PolarHBondContact OG-OD2 2.97Å
22S97.7Very high96.9Very high31 Ų3128.3 Ų28.322%0.21717%0.174CC..Hα-helixtrans-65-41.1177.4-560000111.9G19 K20 R26G19-S22 PolarHBondContact O-N 2.83Å; K20-S22 VanDerWaalsContact C-N 3.27Å; K20-S22 PolarHBondContact O-N 2.76Å; S22-R26 WeakPolarHBondContact O-CB 3.44Å; S22-R26 PolarHBondContact O-N 2.85Å
23L98.3Very high96.5Very high2 Ų236.1 Ų36.11%0.0120%0.203CC..Hα-helixtrans-64.2-47.9174.3-74.3169.6000111.3G19 K20 R26 F27 V85 V119 N121 T150 A152 V158 L161G19-L23 PolarHBondContact O-N 3.09Å; K20-L23 WeakPolarHBondContact O-CB 3.41Å; K20-L23 PolarHBondContact O-N 2.86Å; K20-L23 VanDerWaalsContact O-N 3.12Å; L23-R26 PolarHBondContact O-N 3.15Å; L23-F27 WeakPolarHBondContact O-CB 3.13Å; L23-F27 PolarHBondContact O-N 3.24Å; L23-V85 HydrophobicContact CD1-CG1 3.93Å; L23-V85 HydrophobicContact CD1-CG2 4.09Å; L23-V119 HydrophobicContact CD1-CG1 4.18Å; L23-N121 HydrophobicContact CD1-CB 4.22Å; L23-T150 HydrophobicContact CD2-CG2 4.5Å; L23-A152 HydrophobicContact CD2-CB 3.96Å; L23-A152 HydrophobicContact CG-CB 4.18Å; L23-V158 HydrophobicContact CD2-CG2 3.98Å; L23-L161 HydrophobicContact CD1-CD2 4.35Å
24V97.7Very high96.1Very high1 Ų143.9 Ų43.91%0.00624%0.239CC..Hα-helixtrans-63.5-48.6-178.9177.50000111.2V12 K20 S21 R26 F27 V28 Y44 I59 D61V12-V24 HydrophobicContact CG2-CG2 3.91Å; K20-V24 WeakPolarHBondContact O-CG2 3.41Å; K20-V24 PolarHBondContact O-N 3.12Å; S21-V24 PolarHBondContact O-N 2.84Å; V24-R26 VanDerWaalsContact C-N 3.35Å; V24-R26 PolarHBondContact O-N 3.36Å; V24-F27 PolarHBondContact O-N 2.82Å; V24-V28 HydrophobicContact CG1-CG2 4.29Å; V24-V28 WeakPolarHBondContact O-CB 3.42Å; V24-V28 WeakPolarHBondContact O-CG2 3.24Å; V24-V28 PolarHBondContact O-N 2.79Å; V24-Y44 HydrophobicContact CG1-CD1 4.43Å; V24-Y44 HydrophobicContact CG1-CD2 3.31Å; V24-Y44 HydrophobicContact CG1-CE2 3.76Å; V24-Y44 HydrophobicContact CG1-CG 3.7Å; V24-I59 HydrophobicContact CG1-CB 4.44Å; V24-I59 HydrophobicContact CG1-CG2 3.99Å; V24-I59 HydrophobicContact CG2-CG2 3.82Å; V24-D61 HydrophobicContact CG2-CB 4.32Å
25L96.5Very high95.7Very high28 Ų2847.6 Ų47.615%0.14727%0.265CS..Hα-helixtrans-65.9-37.4177.9-72.8171.7000112.3S21 F27 K29 G30 T31 Y44S21-L25 VanDerWaalsContact O-CB 3.22Å; S21-L25 WeakPolarHBondContact O-CB 3.15Å; S21-L25 VanDerWaalsContact O-CG 3.26Å; S21-L25 WeakPolarHBondContact O-CG 3.31Å; S21-L25 PolarHBondContact O-N 3.07Å; L25-F27 VanDerWaalsContact C-N 3.33Å; L25-K29 HydrophobicContact CD2-CD 3.86Å; L25-K29 HydrophobicContact CD2-CG 4.46Å; L25-K29 WeakPolarHBondContact O-CA 3.35Å; L25-K29 WeakPolarHBondContact O-CB 3.39Å; L25-K29 PolarHBondContact O-N 2.77Å; L25-G30 PolarHBondContact O-N 3.16Å; L25-T31 CarbonylContact C-O 3.59Å; L25-Y44 HydrophobicContact CD2-CE1 3.53Å; L25-Y44 WeakPolarHBondContact CD2-OH 3.33Å; L25-Y44 HydrophobicContact CG-CE1 4.49Å
26R97.6Very high95.2Very high47 Ų4753.7 Ų53.718%0.17729%0.287CS..Hα-helixtrans-63.8-43176177.860.678.1-177.517.4110.7S22 L23 V24 G30 T31 F32 A152 K153 N155 V158S22-R26 WeakPolarHBondContact O-CB 3.44Å; S22-R26 PolarHBondContact O-N 2.85Å; L23-R26 PolarHBondContact O-N 3.15Å; V24-R26 VanDerWaalsContact C-N 3.35Å; V24-R26 PolarHBondContact O-N 3.36Å; R26-G30 PolarHBondContact NH1-O 2.95Å; R26-G30 WeakPolarHBondContact O-CA 3.36Å; R26-G30 PolarHBondContact O-N 2.63Å; R26-T31 VanDerWaalsContact CA-O 3.31Å; R26-T31 WeakPolarHBondContact CA-O 3.32Å; R26-T31 PolarHBondContact N-O 2.85Å; R26-F32 VanDerWaalsContact CZ-CB 3.41Å; R26-A152 PolarHBondContact NE-O 3.06Å; R26-K153 PolarHBondContact NH2-O 2.96Å; R26-K153 VanDerWaalsContact NH2-O 3.09Å; R26-N155 VanDerWaalsContact CD-OD1 3.29Å; R26-N155 WeakPolarHBondContact CD-OD1 3.49Å; R26-N155 HydrophobicContact CG-CB 4.28Å; R26-N155 WeakPolarHBondContact CG-OD1 3.44Å; R26-V158 HydrophobicContact CB-CG1 4.11Å; R26-V158 HydrophobicContact CG-CB 4.21Å; R26-V158 HydrophobicContact CG-CG1 3.87Å; R26-V158 HydrophobicContact CG-CG2 3.97Å
27F97.5Very high94.8Very high38 Ų3857.2 Ų57.217%0.16730%0.297CS..Hα-helixtrans-65.9-52.5177.1173.8-111.5000112.8L23 V24 L25 L57 I59 V158 F162 L176L23-F27 WeakPolarHBondContact O-CB 3.13Å; L23-F27 PolarHBondContact O-N 3.24Å; V24-F27 PolarHBondContact O-N 2.82Å; L25-F27 VanDerWaalsContact C-N 3.33Å; F27-L57 HydrophobicContact CE1-CD2 4.07Å; F27-L57 HydrophobicContact CZ-CD2 4.38Å; F27-I59 HydrophobicContact CD1-CD1 3.63Å; F27-I59 HydrophobicContact CE1-CD1 3.65Å; F27-V158 HydrophobicContact CB-CG1 3.84Å; F27-F162 HydrophobicContact CB-CD2 3.66Å; F27-F162 HydrophobicContact CB-CE2 3.35Å; F27-F162 HydrophobicContact CB-CZ 4.11Å; F27-F162 HydrophobicContact CD1-CD1 4.06Å; F27-F162 AromaticContact CD1-CD2 3.68Å; F27-F162 HydrophobicContact CD1-CD2 3.68Å; F27-F162 HydrophobicContact CD1-CE1 4.12Å; F27-F162 AromaticContact CD1-CE2 3.77Å; F27-F162 HydrophobicContact CD1-CE2 3.77Å; F27-F162 AromaticContact CD1-CG 3.85Å; F27-F162 HydrophobicContact CD1-CG 3.85Å; F27-F162 AromaticContact CD1-CZ 3.99Å; F27-F162 HydrophobicContact CD1-CZ 3.99Å; F27-F162 HydrophobicContact CD2-CB 4.08Å; F27-F162 AromaticContact CD2-CD2 3.37Å; F27-F162 HydrophobicContact CD2-CD2 3.37Å; F27-F162 HydrophobicContact CD2-CE2 4.03Å; F27-F162 AromaticContact CD2-CG 3.87Å; F27-F162 HydrophobicContact CD2-CG 3.87Å; F27-F162 HydrophobicContact CE1-CB 4.29Å; F27-F162 HydrophobicContact CE1-CD1 4.07Å; F27-F162 HydrophobicContact CE1-CD2 4.19Å; F27-F162 HydrophobicContact CE1-CE1 4.49Å; F27-F162 AromaticContact CE1-CG 3.91Å; F27-F162 HydrophobicContact CE1-CG 3.91Å; F27-F162 HydrophobicContact CE2-CB 3.7Å; F27-F162 AromaticContact CE2-CD2 3.9Å; F27-F162 HydrophobicContact CE2-CD2 3.9Å; F27-F162 AromaticContact CE2-CG 3.91Å; F27-F162 HydrophobicContact CE2-CG 3.91Å; F27-F162 HydrophobicContact CG-CD1 4.47Å; F27-F162 AromaticContact CG-CD2 3.25Å; F27-F162 HydrophobicContact CG-CD2 3.25Å; F27-F162 AromaticContact CG-CE2 3.43Å; F27-F162 HydrophobicContact CG-CE2 3.43Å; F27-F162 VanDerWaalsContact CG-CE2 3.43Å; F27-F162 AromaticContact CG-CG 3.84Å; F27-F162 HydrophobicContact CG-CG 3.84Å; F27-F162 HydrophobicContact CG-CZ 4.12Å; F27-F162 HydrophobicContact CZ-CB 3.82Å; F27-F162 HydrophobicContact CZ-CD1 4.45Å; F27-F162 HydrophobicContact CZ-CD2 4.29Å; F27-F162 AromaticContact CZ-CG 3.94Å; F27-F162 HydrophobicContact CZ-CG 3.94Å; F27-L176 HydrophobicContact CE2-CD1 3.77Å; F27-L176 HydrophobicContact CE2-CD2 4.2Å; F27-L176 HydrophobicContact CZ-CD1 4.09Å; F27-L176 HydrophobicContact CZ-CD2 3.63Å
28V95.7Very high94.5Very high32 Ų3260.2 Ų60.219%0.19431%0.312CS..Hα-helixtrans-78.2-40.8-171.5177.70000112.2V24 Y44 I59V24-V28 HydrophobicContact CG1-CG2 4.29Å; V24-V28 WeakPolarHBondContact O-CB 3.42Å; V24-V28 WeakPolarHBondContact O-CG2 3.24Å; V24-V28 PolarHBondContact O-N 2.79Å; V28-Y44 HydrophobicContact CG1-CD1 4.28Å; V28-Y44 HydrophobicContact CG2-CG 4.46Å; V28-I59 HydrophobicContact CG2-CD1 4.03Å
29K94.7Very high93.9Very high128 Ų12861.3 Ų61.356%0.55732%0.318SS*.Hα-helixtrans-112.8-8.6-171.5-59.2-172.3-176.5173.20113.6L25 T31L25-K29 HydrophobicContact CD2-CD 3.86Å; L25-K29 HydrophobicContact CD2-CG 4.46Å; L25-K29 WeakPolarHBondContact O-CA 3.35Å; L25-K29 WeakPolarHBondContact O-CB 3.39Å; L25-K29 PolarHBondContact O-N 2.77Å; K29-T31 HydrophobicContact CB-CG2 4.2Å; K29-T31 PolarHBondContact O-N 2.83Å
30G95.9Very high93.4Very high46 Ų4666.7 Ų66.747%0.47435%0.349SS..SBendtrans68.214.9-17400000113.3L25 R26L25-G30 PolarHBondContact O-N 3.16Å; R26-G30 PolarHBondContact NH1-O 2.95Å; R26-G30 WeakPolarHBondContact O-CA 3.36Å; R26-G30 PolarHBondContact O-N 2.63Å
31T95.8Very high93Very high64 Ų6469.5 Ų69.539%0.39336%0.362SS..  trans-109.3151.5-175.359.60000112.4L25 R26 K29L25-T31 CarbonylContact C-O 3.59Å; R26-T31 VanDerWaalsContact CA-O 3.31Å; R26-T31 WeakPolarHBondContact CA-O 3.32Å; R26-T31 PolarHBondContact N-O 2.85Å; K29-T31 HydrophobicContact CB-CG2 4.2Å; K29-T31 PolarHBondContact O-N 2.83Å
32F95.6Very high92.8Very high63 Ų6372.1 Ų72.128%0.27637%0.374SS..  trans-136.7144.2170.9176.3-96.6000109.7R26 E34 A152 K153R26-F32 VanDerWaalsContact CZ-CB 3.41Å; F32-E34 HydrophobicContact CD1-CG 4.45Å; F32-E34 HydrophobicContact CE1-CG 3.9Å; F32-A152 HydrophobicContact CD2-CB 4.04Å; F32-A152 WeakPolarHBondContact CD2-O 3.23Å; F32-A152 HydrophobicContact CE2-CB 4.04Å; F32-K153 HydrophobicContact CD1-CB 4.49Å; F32-K153 HydrophobicContact CD1-CG 4.36Å; F32-K153 HydrophobicContact CD2-CB 4.48Å; F32-K153 HydrophobicContact CE1-CB 3.89Å; F32-K153 HydrophobicContact CE1-CD 4.35Å; F32-K153 HydrophobicContact CE1-CG 3.74Å; F32-K153 HydrophobicContact CE2-CB 3.88Å; F32-K153 HydrophobicContact CZ-CB 3.56Å; F32-K153 HydrophobicContact CZ-CD 4.41Å; F32-K153 HydrophobicContact CZ-CG 3.9Å
33R91.1Very high92.7Very high165 Ų16572.9 Ų72.962%0.62338%0.378SS*.  trans-122.6132.6176-64.6-178.7179.3177-1.7108.2
34E88.6Confident92.6Very high165 Ų16574.2 Ų74.277%0.77138%0.383SS*.SBendtrans-75.1-37.3178.1-69-171.6165.100112.1F32 Y36F32-E34 HydrophobicContact CD1-CG 4.45Å; F32-E34 HydrophobicContact CE1-CG 3.9Å; E34-Y36 PolarHBondContact O-N 2.89Å
35S88.8Confident92.5Very high81 Ų8181.1 Ų81.157%0.56641%0.409SS*.SBendtrans-68.5127.9178.8600000111.2I37S35-I37 PolarHBondContact O-N 3.14Å
36Y85.9Confident92.2Very high136 Ų13683.3 Ų83.353%0.53342%0.418SS..  trans-75.7123.3170.7179.3-115.5000110.8G17 E34 P38G17-Y36 PolarHBondContact N-OH 2.88Å; E34-Y36 PolarHBondContact O-N 2.89Å; Y36-P38 HydrophobicContact CE1-CG 3.95Å
37I87.5Confident92Very high106 Ų10684.4 Ų84.454%0.54443%0.43SS..  trans-119.2121.2169.1-59.2175000106S35 T39S35-I37 PolarHBondContact O-N 3.14Å; I37-T39 PolarHBondContact O-N 2.9Å
38P88.6Confident91.7Very high88 Ų8882.6 Ų82.657%0.57142%0.422SS*.PPolyproline II helixtrans-53.2128.8175.2-2734.9000111.5Y36Y36-P38 HydrophobicContact CE1-CG 3.95Å
39T85.9Confident91.4Very high25 Ų2581.6 Ų81.615%0.15342%0.417CS..PPolyproline II helixtrans-73.5131-175-48.70000110.3S21 I37 D61 T63S21-T39 WeakPolarHBondContact OG-CG2 3.22Å; S21-T39 PolarHBondContact OG-OG1 3.28Å; I37-T39 PolarHBondContact O-N 2.9Å; T39-D61 WeakPolarHBondContact CG2-OD2 3.42Å; T39-T63 WeakPolarHBondContact O-CB 3.47Å; T39-T63 WeakPolarHBondContact O-CG2 3.45Å
40V87.8Confident90.9Very high126 Ų12675.5 Ų75.576%0.76439%0.39SS*.PPolyproline II helixtrans-88.5137.8154.31780000106.4D42V40-D42 PolarHBondContact O-N 3.03Å
41E89.2Confident90.4Very high65 Ų6576.9 Ų76.930%0.30439%0.387SS..PPolyproline II helixtrans-52.9127-176.7-173.9179.3109.400110.6T60 D61 T63 Q67E41-T60 HydrophobicContact CG-CG2 3.85Å; E41-D61 VanDerWaalsContact CA-O 3.31Å; E41-D61 WeakPolarHBondContact CA-O 3.29Å; E41-T63 HydrophobicContact CB-CG2 4.17Å; E41-Q67 PolarHBondContact OE2-NE2 3.25Å
42D92.8Very high89.7Confident77 Ų7783.5 Ų83.541%0.41241%0.41SS..EExtended strand (participates in β ladder)trans-135.9151.8-178.6-162.84.7000110.3V40 Y44 T60 D61V40-D42 PolarHBondContact O-N 3.03Å; D42-Y44 HydrophobicContact CB-CE2 3.98Å; D42-Y44 PolarHBondContact OD2-OH 2.88Å; D42-T60 WeakPolarHBondContact O-CA 3.11Å; D42-D61 PolarHBondContact N-O 2.86Å; D42-D61 VanDerWaalsContact N-O 3.11Å; D42-D61 PolarHBondContact O-N 3.09Å
43T95.4Very high89.2Confident48 Ų4883.9 Ų83.929%0.29442%0.421SS..EExtended strand (participates in β ladder)trans-120.9112.7178.7-63.70000110.7Q58 I59 T60T43-Q58 HydrophobicContact CG2-CB 3.98Å; T43-Q58 HydrophobicContact CG2-CG 4.39Å; T43-I59 CarbonylContact C-O 3.56Å; T43-I59 WeakPolarHBondContact CA-O 3.24Å; T43-T60 PolarHBondContact OG1-OG1 3.4Å
44Y96.1Very high89Confident30 Ų3081 Ų8112%0.11842%0.417CS..EExtended strand (participates in β ladder)trans-89.5148.9176.9-61.7-96.1000110.5V24 L25 V28 D42 Q58 I59 D61V24-Y44 HydrophobicContact CG1-CD1 4.43Å; V24-Y44 HydrophobicContact CG1-CD2 3.31Å; V24-Y44 HydrophobicContact CG1-CE2 3.76Å; V24-Y44 HydrophobicContact CG1-CG 3.7Å; L25-Y44 HydrophobicContact CD2-CE1 3.53Å; L25-Y44 WeakPolarHBondContact CD2-OH 3.33Å; L25-Y44 HydrophobicContact CG-CE1 4.49Å; V28-Y44 HydrophobicContact CG1-CD1 4.28Å; V28-Y44 HydrophobicContact CG2-CG 4.46Å; D42-Y44 HydrophobicContact CB-CE2 3.98Å; D42-Y44 PolarHBondContact OD2-OH 2.88Å; Y44-Q58 CarbonylContact O-C 3.48Å; Y44-Q58 WeakPolarHBondContact O-CA 3.46Å; Y44-I59 PolarHBondContact N-O 3.3Å; Y44-I59 PolarHBondContact O-N 2.93Å; Y44-D61 HydrophobicContact CD2-CB 4.37Å; Y44-D61 HydrophobicContact CE2-CB 3.99Å
45R94.7Very high89.1Confident145 Ų14573.6 Ų73.655%0.54738%0.382SS..EExtended strand (participates in β ladder)trans-125.2127.4-177-65.9175.1-176.1-83.7-10.4110D7 T56 L57 Q58D7-R45 IonicContact OD2-NH1 3.71Å; R45-T56 HydrophobicContact CB-CG2 3.78Å; R45-T56 HydrophobicContact CG-CG2 3.97Å; R45-L57 CarbonylContact C-O 3.56Å; R45-L57 VanDerWaalsContact CA-O 3.31Å; R45-L57 WeakPolarHBondContact CA-O 3.42Å; R45-Q58 HydrophobicContact CG-CG 4.49Å
46Q92.1Very high89.3Confident74 Ų7471.5 Ų71.535%0.34637%0.367SS..EExtended strand (participates in β ladder)trans-127.6136.8173.2-172.364.737.200109.2I48 L57Q46-I48 HydrophobicContact CG-CG2 4.42Å; Q46-L57 HydrophobicContact CB-CB 4.27Å; Q46-L57 PolarHBondContact N-O 3.42Å; Q46-L57 WeakPolarHBondContact O-CB 3.31Å; Q46-L57 PolarHBondContact O-N 2.78Å
47V92.4Very high89.8Confident71 Ų7165 Ų6543%0.4334%0.341SS..EExtended strand (participates in β ladder)trans-77.5128174.2-176.60000109I54 I178V47-I54 HydrophobicContact CG1-CG2 3.19Å; V47-I178 HydrophobicContact CB-CD1 4.2Å; V47-I178 HydrophobicContact CG1-CD1 3.64Å
48I91.7Very high90.3Very high0 Ų061.1 Ų61.10%032%0.321CS..EExtended strand (participates in β ladder)trans-133166.4-178.760.7161.3000110.9Q46 I54 C55 L57 L166 V174 S175 L176Q46-I48 HydrophobicContact CG-CG2 4.42Å; I48-I54 WeakPolarHBondContact O-CA 3.22Å; I48-C55 VanDerWaalsContact CG1-SG 3.56Å; I48-C55 PolarHBondContact N-O 2.88Å; I48-C55 PolarHBondContact O-N 3.49Å; I48-L57 HydrophobicContact CD1-CB 3.81Å; I48-L57 HydrophobicContact CD1-CD1 4.32Å; I48-L57 HydrophobicContact CG1-CB 3.98Å; I48-L57 HydrophobicContact CG2-CB 3.79Å; I48-L57 HydrophobicContact CG2-CD2 4.18Å; I48-L166 HydrophobicContact CD1-CD1 4.39Å; I48-V174 HydrophobicContact CD1-CG1 3.25Å; I48-V174 HydrophobicContact CG1-CG1 4.46Å; I48-S175 WeakPolarHBondContact CB-O 3.38Å; I48-L176 HydrophobicContact CG2-CD2 3.9Å
49S88.6Confident90.7Very high11 Ų1157 Ų578%0.07729%0.293CS..EExtended strand (participates in β ladder)trans-84.6136.4170.8-179.90000110.2S53 V174 S175 Q177S49-S53 CarbonylContact C-O 3.59Å; S49-S53 WeakPolarHBondContact CA-O 3.26Å; S49-V174 CarbonylContact O-C 3.41Å; S49-V174 WeakPolarHBondContact O-CA 3.06Å; S49-S175 WeakPolarHBondContact CB-OG 3.48Å; S49-S175 PolarHBondContact N-O 2.81Å; S49-S175 PolarHBondContact O-N 3.4Å; S49-Q177 VanDerWaalsContact CB-O 3.3Å; S49-Q177 WeakPolarHBondContact CB-O 2.97Å
50C85.3Confident91.3Very high0 Ų056.8 Ų56.80%029%0.292CS..EExtended strand (participates in β ladder)trans-142.8120.4173.6-175.10000109.6K52 S53 C55 T173C50-K52 VanDerWaalsContact C-N 3.29Å; C50-K52 PolarHBondContact O-N 3.01Å; C50-S53 PolarHBondContact N-O 3.09Å; C50-S53 CarbonylContact O-C 3.6Å; C50-S53 WeakPolarHBondContact O-CA 3.44Å; C50-S53 WeakPolarHBondContact O-CB 3.43Å; C50-S53 PolarHBondContact O-N 3.17Å; C50-C55 HydrophobicContact CB-CB 3.87Å; C50-C55 WeakPolarHBondContact CB-SG 3.37Å; C50-T173 CarbonylContact C-O 3.5Å; C50-T173 VanDerWaalsContact CA-O 3.24Å; C50-T173 WeakPolarHBondContact CA-O 3.41Å
51D85.1Confident91.7Very high75 Ų7550.9 Ų50.940%0.40126%0.256SS..THydrogen-bonded Turntrans49.845.1178.7-58.5-42.5000113.6S53 R172 T173D51-S53 PolarHBondContact O-N 3.44Å; D51-S53 VanDerWaalsContact O-N 3.12Å; D51-R172 WeakPolarHBondContact OD1-CA 3.24Å; D51-R172 WeakPolarHBondContact OD2-CB 3.45Å; D51-T173 PolarHBondContact N-O 2.85Å; D51-T173 PolarHBondContact OD1-N 2.87Å
52K79.8Confident92Very high203 Ų20347.8 Ų47.888%0.88324%0.242SC*.THydrogen-bonded Turntrans64.28.7-176.4-50.8169.7-177.9168.30114.4C50C50-K52 VanDerWaalsContact C-N 3.29Å; C50-K52 PolarHBondContact O-N 3.01Å
53S85.9Confident91.8Very high71 Ų7145.6 Ų45.650%0.49723%0.231SC..EExtended strand (participates in β ladder)trans-110.9-177.9170.2-60.30000109.9S49 C50 D51S49-S53 CarbonylContact C-O 3.59Å; S49-S53 WeakPolarHBondContact CA-O 3.26Å; C50-S53 PolarHBondContact N-O 3.09Å; C50-S53 CarbonylContact O-C 3.6Å; C50-S53 WeakPolarHBondContact O-CA 3.44Å; C50-S53 WeakPolarHBondContact O-CB 3.43Å; C50-S53 PolarHBondContact O-N 3.17Å; D51-S53 PolarHBondContact O-N 3.44Å; D51-S53 VanDerWaalsContact O-N 3.12Å
54I87.9Confident91.3Very high105 Ų10543.8 Ų43.854%0.53822%0.222SC..EExtended strand (participates in β ladder)trans-103.2139.2174.2-66.5174.1000108.4V47 I48 I178V47-I54 HydrophobicContact CG1-CG2 3.19Å; I48-I54 WeakPolarHBondContact O-CA 3.22Å; I54-I178 HydrophobicContact CD1-CG2 4.18Å; I54-I178 HydrophobicContact CG1-CG2 4.24Å
55C90.6Very high90.6Very high8 Ų845.6 Ų45.65%0.05424%0.239CC..EExtended strand (participates in β ladder)trans-136.6173.8165.582.30000112N6 I48 C50N6-C55 HydrophobicContact CB-CB 4.26Å; N6-C55 WeakPolarHBondContact O-CB 3.41Å; I48-C55 VanDerWaalsContact CG1-SG 3.56Å; I48-C55 PolarHBondContact N-O 2.88Å; I48-C55 PolarHBondContact O-N 3.49Å; C50-C55 HydrophobicContact CB-CB 3.87Å; C50-C55 WeakPolarHBondContact CB-SG 3.37Å
56T93.1Very high89.9Confident38 Ų3846.5 Ų46.523%0.23325%0.249CC..EExtended strand (participates in β ladder)trans-95.8122.5175.5-42.60000109.9D7 Y8 R45 Q58D7-T56 CarbonylContact C-O 3.57Å; D7-T56 VanDerWaalsContact CA-O 3.24Å; D7-T56 WeakPolarHBondContact CA-O 3.22Å; D7-T56 WeakPolarHBondContact OD1-CB 3.37Å; D7-T56 PolarHBondContact OD1-OG1 2.99Å; Y8-T56 PolarHBondContact N-O 2.72Å; R45-T56 HydrophobicContact CB-CG2 3.78Å; R45-T56 HydrophobicContact CG-CG2 3.97Å; T56-Q58 HydrophobicContact CG2-CG 4.38Å; T56-Q58 PolarHBondContact O-N 3.3Å
57L96Very high89.4Confident0 Ų043.9 Ų43.90%024%0.237CC..EExtended strand (participates in β ladder)trans-75.7111.9159.7-175.159000108.4Y8 V10 F27 R45 Q46 I48 I59 L166 L176Y8-L57 HydrophobicContact CD1-CD1 3.83Å; Y8-L57 CarbonylContact O-C 3.57Å; Y8-L57 WeakPolarHBondContact O-CA 3.48Å; V10-L57 HydrophobicContact CG2-CD1 3.68Å; F27-L57 HydrophobicContact CE1-CD2 4.07Å; F27-L57 HydrophobicContact CZ-CD2 4.38Å; R45-L57 CarbonylContact C-O 3.56Å; R45-L57 VanDerWaalsContact CA-O 3.31Å; R45-L57 WeakPolarHBondContact CA-O 3.42Å; Q46-L57 HydrophobicContact CB-CB 4.27Å; Q46-L57 PolarHBondContact N-O 3.42Å; Q46-L57 WeakPolarHBondContact O-CB 3.31Å; Q46-L57 PolarHBondContact O-N 2.78Å; I48-L57 HydrophobicContact CD1-CB 3.81Å; I48-L57 HydrophobicContact CD1-CD1 4.32Å; I48-L57 HydrophobicContact CG1-CB 3.98Å; I48-L57 HydrophobicContact CG2-CB 3.79Å; I48-L57 HydrophobicContact CG2-CD2 4.18Å; L57-I59 HydrophobicContact CD2-CD1 3.99Å; L57-I59 HydrophobicContact CD2-CG1 4.14Å; L57-I59 HydrophobicContact CG-CD1 4.27Å; L57-I59 HydrophobicContact CG-CG1 3.88Å; L57-L166 HydrophobicContact CD1-CD2 4.22Å; L57-L176 HydrophobicContact CD2-CD2 4.37Å
58Q96.9Very high89.3Confident24 Ų2447.5 Ų47.511%0.11225%0.247CC..EExtended strand (participates in β ladder)trans-94.8122.5168.5-66.1-171.51.300109.1D7 Y8 R9 V10 T43 Y44 R45 T56D7-Q58 HydrophobicContact CB-CG 4.21Å; D7-Q58 PolarHBondContact OD2-NE2 3.4Å; Y8-Q58 PolarHBondContact O-N 2.93Å; R9-Q58 CarbonylContact C-O 3.55Å; R9-Q58 WeakPolarHBondContact CA-O 3.24Å; R9-Q58 HydrophobicContact CG-CB 4.22Å; V10-Q58 PolarHBondContact N-O 3.49Å; T43-Q58 HydrophobicContact CG2-CB 3.98Å; T43-Q58 HydrophobicContact CG2-CG 4.39Å; Y44-Q58 CarbonylContact O-C 3.48Å; Y44-Q58 WeakPolarHBondContact O-CA 3.46Å; R45-Q58 HydrophobicContact CG-CG 4.49Å; T56-Q58 HydrophobicContact CG2-CG 4.38Å; T56-Q58 PolarHBondContact O-N 3.3Å
59I97.9Very high89.2Confident0 Ų051.4 Ų51.40%027%0.273CS..EExtended strand (participates in β ladder)trans-114.5109.5177.5-51.7171.8000107.9V10 V12 V24 F27 V28 T43 Y44 L57 F162V10-I59 CarbonylContact O-C 3.58Å; V10-I59 WeakPolarHBondContact O-CA 3.45Å; V12-I59 HydrophobicContact CG2-CG2 3.76Å; V24-I59 HydrophobicContact CG1-CB 4.44Å; V24-I59 HydrophobicContact CG1-CG2 3.99Å; V24-I59 HydrophobicContact CG2-CG2 3.82Å; F27-I59 HydrophobicContact CD1-CD1 3.63Å; F27-I59 HydrophobicContact CE1-CD1 3.65Å; V28-I59 HydrophobicContact CG2-CD1 4.03Å; T43-I59 CarbonylContact C-O 3.56Å; T43-I59 WeakPolarHBondContact CA-O 3.24Å; Y44-I59 PolarHBondContact N-O 3.3Å; Y44-I59 PolarHBondContact O-N 2.93Å; L57-I59 HydrophobicContact CD2-CD1 3.99Å; L57-I59 HydrophobicContact CD2-CG1 4.14Å; L57-I59 HydrophobicContact CG-CD1 4.27Å; L57-I59 HydrophobicContact CG-CG1 3.88Å; I59-F162 HydrophobicContact CD1-CD1 4.02Å; I59-F162 HydrophobicContact CD1-CE1 3.54Å; I59-F162 HydrophobicContact CD1-CZ 4.16Å; I59-F162 HydrophobicContact CG1-CE1 4.25Å; I59-F162 HydrophobicContact CG2-CE1 4.18Å
60T97.2Very high89.4Confident21 Ų2153.6 Ų53.613%0.12929%0.291CS..EExtended strand (participates in β ladder)trans-87.2110.7175.6-57.90000109.4V10 V12 E41 D42 T43 T62V10-T60 PolarHBondContact O-N 3.29Å; V12-T60 PolarHBondContact N-O 3.24Å; E41-T60 HydrophobicContact CG-CG2 3.85Å; D42-T60 WeakPolarHBondContact O-CA 3.11Å; T43-T60 PolarHBondContact OG1-OG1 3.4Å; T60-T62 HydrophobicContact CG2-CG2 4.32Å
61D96.2Very high89.8Confident2 Ų257.1 Ų57.11%0.01131%0.309CS..EExtended strand (participates in β ladder)trans-88.3114.2173.4-178.526000109.2K20 S21 V24 T39 E41 D42 Y44K20-D61 WeakPolarHBondContact CB-OD1 3.49Å; S21-D61 WeakPolarHBondContact CA-OD2 3.19Å; S21-D61 WeakPolarHBondContact CB-OD2 3.38Å; S21-D61 PolarHBondContact N-OD1 2.98Å; S21-D61 VanDerWaalsContact OG-CG 3.28Å; S21-D61 PolarHBondContact OG-OD1 3.15Å; S21-D61 PolarHBondContact OG-OD2 2.97Å; V24-D61 HydrophobicContact CG2-CB 4.32Å; T39-D61 WeakPolarHBondContact CG2-OD2 3.42Å; E41-D61 VanDerWaalsContact CA-O 3.31Å; E41-D61 WeakPolarHBondContact CA-O 3.29Å; D42-D61 PolarHBondContact N-O 2.86Å; D42-D61 VanDerWaalsContact N-O 3.11Å; D42-D61 PolarHBondContact O-N 3.09Å; Y44-D61 HydrophobicContact CD2-CB 4.37Å; Y44-D61 HydrophobicContact CE2-CB 3.99Å
62T95.4Very high90.2Very high1 Ų155 Ų551%0.00630%0.297CS..  trans-93.2160.8-171.3670000112.7V12 F13 K20 T60 G64V12-T62 WeakPolarHBondContact O-CB 3.35Å; V12-T62 VanDerWaalsContact O-CG2 3.27Å; V12-T62 WeakPolarHBondContact O-CG2 3.3Å; V12-T62 PolarHBondContact O-OG1 2.81Å; F13-T62 HydrophobicContact CD1-CG2 3.9Å; F13-T62 HydrophobicContact CE1-CG2 3.79Å; K20-T62 WeakPolarHBondContact CE-O 3.46Å; T60-T62 HydrophobicContact CG2-CG2 4.32Å; T62-G64 PolarHBondContact O-N 3.07Å; T62-G64 VanDerWaalsContact O-N 3.13Å
63T90.4Very high91Very high30 Ų3050.2 Ų50.218%0.18427%0.273CS..  trans-70.5-5.8-178.263.60000114.2T39 E41 Q67T39-T63 WeakPolarHBondContact O-CB 3.47Å; T39-T63 WeakPolarHBondContact O-CG2 3.45Å; E41-T63 HydrophobicContact CB-CG2 4.17Å; T63-Q67 VanDerWaalsContact OG1-CA 3.3Å; T63-Q67 WeakPolarHBondContact OG1-CA 3.24Å; T63-Q67 PolarHBondContact OG1-N 3.47Å
64G84.8Confident91.4Very high10 Ų1050.3 Ų50.310%0.10327%0.268CS..SBendtrans76.8-133.7-175.800000113.2G14 T62 H66 Q67G14-G64 WeakPolarHBondContact O-CA 3.47Å; T62-G64 PolarHBondContact O-N 3.07Å; T62-G64 VanDerWaalsContact O-N 3.13Å; G64-H66 PolarHBondContact O-N 3.36Å; G64-Q67 PolarHBondContact O-N 3.29Å; G64-Q67 VanDerWaalsContact O-N 3.11Å
65S79.9Confident91.8Very high68 Ų6846 Ų4648%0.47625%0.247SC..THydrogen-bonded Turntrans-64.3-10.3-172.2-42.10000114.5A15 G16 E96A15-S65 WeakPolarHBondContact CA-OG 3.36Å; G16-S65 PolarHBondContact N-OG 3.43Å; S65-E96 PolarHBondContact OG-OE2 3.21Å
66H80.6Confident92.1Very high164 Ų16445.6 Ų45.676%0.75924%0.244SC*.THydrogen-bonded Turntrans-99.911.3177.8-58.8-61.8000113.8G64 F68G64-H66 PolarHBondContact O-N 3.36Å; H66-F68 PolarHBondContact O-N 3.11Å
67Q82.1Confident92.2Very high20 Ų2047.3 Ų47.39%0.09326%0.257CS..  trans-70.8131.2-179.7-163.2173.632.200111F13 E41 T63 G64 M71 Q72F13-Q67 VanDerWaalsContact CE1-OE1 3.27Å; E41-Q67 PolarHBondContact OE2-NE2 3.25Å; T63-Q67 VanDerWaalsContact OG1-CA 3.3Å; T63-Q67 WeakPolarHBondContact OG1-CA 3.24Å; T63-Q67 PolarHBondContact OG1-N 3.47Å; G64-Q67 PolarHBondContact O-N 3.29Å; G64-Q67 VanDerWaalsContact O-N 3.11Å; Q67-M71 HydrophobicContact CG-CB 4.32Å; Q67-Q72 HydrophobicContact CG-CB 4.42Å
68F89Confident92.1Very high146 Ų14652.6 Ų52.664%0.6428%0.281SS*.  trans-64.4130.4176.1-173.5-122.1000110H66 A70 M71 Q72H66-F68 PolarHBondContact O-N 3.11Å; F68-A70 VanDerWaalsContact C-N 3.25Å; F68-A70 HydrophobicContact CD1-CB 3.75Å; F68-A70 HydrophobicContact CE1-CB 3.59Å; F68-A70 PolarHBondContact O-N 3.44Å; F68-A70 VanDerWaalsContact O-N 3.08Å; F68-M71 HydrophobicContact CB-CB 4.48Å; F68-M71 HydrophobicContact CB-CG 4.25Å; F68-M71 HydrophobicContact CD1-CG 4.41Å; F68-M71 WeakPolarHBondContact O-CA 3.49Å; F68-M71 WeakPolarHBondContact O-CB 3.42Å; F68-M71 PolarHBondContact O-N 3.29Å; F68-Q72 PolarHBondContact O-N 3.38Å; F68-Q72 VanDerWaalsContact O-N 3.11Å
69P91.2Very high92.1Very high83 Ų8351.6 Ų51.654%0.53928%0.277SS..Hα-helixtrans-54.2-36.1-172.4-31.336.3000115M71 Q72 R73P69-M71 VanDerWaalsContact C-N 3.32Å; P69-M71 PolarHBondContact O-N 2.93Å; P69-Q72 PolarHBondContact O-N 2.92Å; P69-R73 WeakPolarHBondContact O-CG 3.31Å; P69-R73 PolarHBondContact O-N 3.45Å
70A93.1Very high92Very high56 Ų5654 Ų5446%0.46329%0.288SS..Hα-helixtrans-65.7-35176.800000112.6F68 L74F68-A70 VanDerWaalsContact C-N 3.25Å; F68-A70 HydrophobicContact CD1-CB 3.75Å; F68-A70 HydrophobicContact CE1-CB 3.59Å; F68-A70 PolarHBondContact O-N 3.44Å; F68-A70 VanDerWaalsContact O-N 3.08Å; A70-L74 WeakPolarHBondContact O-CB 3.24Å; A70-L74 PolarHBondContact O-N 3.19Å
71M92.5Very high92Very high74 Ų7453 Ų5337%0.36528%0.282SS..Hα-helixtrans-72.5-37176.5-66.4-58.3-66.300111.8Q67 F68 P69 L74 S75Q67-M71 HydrophobicContact CG-CB 4.32Å; F68-M71 HydrophobicContact CB-CB 4.48Å; F68-M71 HydrophobicContact CB-CG 4.25Å; F68-M71 HydrophobicContact CD1-CG 4.41Å; F68-M71 WeakPolarHBondContact O-CA 3.49Å; F68-M71 WeakPolarHBondContact O-CB 3.42Å; F68-M71 PolarHBondContact O-N 3.29Å; P69-M71 VanDerWaalsContact C-N 3.32Å; P69-M71 PolarHBondContact O-N 2.93Å; M71-L74 HydrophobicContact CE-CD2 4.49Å; M71-L74 PolarHBondContact O-N 3.31Å; M71-L74 HydrophobicContact SD-CD2 4.35Å; M71-S75 WeakPolarHBondContact O-CB 3.35Å; M71-S75 PolarHBondContact O-N 3.27Å; M71-S75 PolarHBondContact O-OG 3.41Å
72Q94.8Very high92.1Very high31 Ų3153 Ų5315%0.14528%0.281CS..Hα-helixtrans-60.7-51.2171.1-174.6175.7-63.600110.5F13 Q67 F68 P69 L74 S75 I76F13-Q72 HydrophobicContact CD1-CG 4.49Å; F13-Q72 HydrophobicContact CE1-CG 3.83Å; F13-Q72 HydrophobicContact CZ-CG 4.27Å; Q67-Q72 HydrophobicContact CG-CB 4.42Å; F68-Q72 PolarHBondContact O-N 3.38Å; F68-Q72 VanDerWaalsContact O-N 3.11Å; P69-Q72 PolarHBondContact O-N 2.92Å; Q72-L74 VanDerWaalsContact C-N 3.29Å; Q72-L74 PolarHBondContact O-N 3.48Å; Q72-S75 PolarHBondContact O-N 2.83Å; Q72-S75 VanDerWaalsContact O-N 3.16Å; Q72-I76 HydrophobicContact CG-CD1 3.99Å; Q72-I76 WeakPolarHBondContact O-CG1 3.34Å; Q72-I76 PolarHBondContact O-N 3Å
73R95.4Very high92.3Very high103 Ų10353 Ų5339%0.38928%0.281SS..Hα-helixtrans-58-40.1176.3-71.3-165.2175.2-88.41.8112.2P69 I76 S77 Q103 E106 I107P69-R73 WeakPolarHBondContact O-CG 3.31Å; P69-R73 PolarHBondContact O-N 3.45Å; R73-I76 PolarHBondContact O-N 3.14Å; R73-S77 VanDerWaalsContact O-CB 3.29Å; R73-S77 WeakPolarHBondContact O-CB 3.48Å; R73-S77 PolarHBondContact O-N 2.94Å; R73-Q103 HydrophobicContact CG-CG 4.49Å; R73-Q103 VanDerWaalsContact CZ-NE2 3.28Å; R73-E106 IonicContact CZ-OE2 3.65Å; R73-E106 IonicContact NH1-OE1 3.51Å; R73-E106 IonicContact NH1-OE2 2.88Å; R73-E106 PolarHBondContact NH1-OE2 3.17Å; R73-E106 IonicContact NH2-OE2 2.65Å; R73-E106 PolarHBondContact NH2-OE2 2.93Å; R73-I107 HydrophobicContact CB-CD1 3.96Å; R73-I107 HydrophobicContact CG-CD1 3.89Å
74L95Very high92.7Very high73 Ų7351.6 Ų51.638%0.38227%0.273SS..Hα-helixtrans-65.1-44.1176.5-17663.4000112.2A70 M71 Q72 I76 S77 K78A70-L74 WeakPolarHBondContact O-CB 3.24Å; A70-L74 PolarHBondContact O-N 3.19Å; M71-L74 HydrophobicContact CE-CD2 4.49Å; M71-L74 PolarHBondContact O-N 3.31Å; M71-L74 HydrophobicContact SD-CD2 4.35Å; Q72-L74 VanDerWaalsContact C-N 3.29Å; Q72-L74 PolarHBondContact O-N 3.48Å; L74-I76 VanDerWaalsContact C-N 3.34Å; L74-S77 PolarHBondContact O-N 2.92Å; L74-K78 HydrophobicContact CD1-CD 4.08Å; L74-K78 HydrophobicContact CD1-CG 4.34Å; L74-K78 HydrophobicContact CG-CD 4.2Å; L74-K78 WeakPolarHBondContact O-CB 3.49Å; L74-K78 WeakPolarHBondContact O-CG 3.27Å; L74-K78 PolarHBondContact O-N 2.67Å
75S95.7Very high93.3Very high14 Ų1451.1 Ų51.110%0.09827%0.268CS..Hα-helixtrans-62.3-42.4177-64.70000111.2M71 Q72 G79M71-S75 WeakPolarHBondContact O-CB 3.35Å; M71-S75 PolarHBondContact O-N 3.27Å; M71-S75 PolarHBondContact O-OG 3.41Å; Q72-S75 PolarHBondContact O-N 2.83Å; Q72-S75 VanDerWaalsContact O-N 3.16Å; S75-G79 WeakPolarHBondContact O-CA 3.39Å; S75-G79 PolarHBondContact O-N 2.84Å
76I96.3Very high94.2Very high0 Ų047.9 Ų47.90%025%0.245CC..Hα-helixtrans-63.7-51.1173.6-65169000110.3F13 Q72 R73 L74 K78 G79 F82 Q103 I104 I107 K108F13-I76 HydrophobicContact CE2-CG1 3.92Å; F13-I76 HydrophobicContact CZ-CG1 3.82Å; Q72-I76 HydrophobicContact CG-CD1 3.99Å; Q72-I76 WeakPolarHBondContact O-CG1 3.34Å; Q72-I76 PolarHBondContact O-N 3Å; R73-I76 PolarHBondContact O-N 3.14Å; L74-I76 VanDerWaalsContact C-N 3.34Å; I76-K78 VanDerWaalsContact C-N 3.3Å; I76-K78 PolarHBondContact O-N 2.88Å; I76-G79 PolarHBondContact O-N 3.33Å; I76-F82 HydrophobicContact CB-CE1 4.44Å; I76-F82 HydrophobicContact CB-CZ 4.5Å; I76-F82 HydrophobicContact CG1-CE1 4.4Å; I76-F82 HydrophobicContact CG2-CE1 4.48Å; I76-F82 HydrophobicContact CG2-CZ 4.11Å; I76-F82 WeakPolarHBondContact O-CZ 3.46Å; I76-Q103 HydrophobicContact CD1-CB 4.14Å; I76-Q103 HydrophobicContact CD1-CG 3.8Å; I76-I104 HydrophobicContact CD1-CG1 3.83Å; I76-I104 HydrophobicContact CG1-CG1 3.88Å; I76-I104 HydrophobicContact CG2-CB 4.42Å; I76-I104 HydrophobicContact CG2-CG1 4.05Å; I76-I107 HydrophobicContact CB-CD1 3.99Å; I76-I107 HydrophobicContact CD1-CD1 4.29Å; I76-I107 HydrophobicContact CG2-CB 3.73Å; I76-I107 HydrophobicContact CG2-CD1 3.83Å; I76-I107 HydrophobicContact CG2-CG1 4.34Å; I76-I107 HydrophobicContact CG2-CG2 3.77Å; I76-K108 HydrophobicContact CG2-CG 4.35Å; I76-K108 WeakPolarHBondContact O-CE 3.35Å; I76-K108 PolarHBondContact O-NZ 3.47Å
77S95.8Very high95.1Very high73 Ų7340.2 Ų40.251%0.5121%0.21SC..Hα-helixtrans-54.7-46-179.6179.60000111.8R73 L74 K108R73-S77 VanDerWaalsContact O-CB 3.29Å; R73-S77 WeakPolarHBondContact O-CB 3.48Å; R73-S77 PolarHBondContact O-N 2.94Å; L74-S77 PolarHBondContact O-N 2.92Å; S77-K108 PolarHBondContact O-NZ 3.16Å
78K95.1Very high95.9Very high112 Ų11239.2 Ų39.249%0.48721%0.206SC..Hα-helixtrans-79.8-22.2-179.5-71.5179.9175.8172.20115.1R9 L74 I76R9-K78 VanDerWaalsContact CD-O 3.32Å; R9-K78 WeakPolarHBondContact CD-O 3.39Å; L74-K78 HydrophobicContact CD1-CD 4.08Å; L74-K78 HydrophobicContact CD1-CG 4.34Å; L74-K78 HydrophobicContact CG-CD 4.2Å; L74-K78 WeakPolarHBondContact O-CB 3.49Å; L74-K78 WeakPolarHBondContact O-CG 3.27Å; L74-K78 PolarHBondContact O-N 2.67Å; I76-K78 VanDerWaalsContact C-N 3.3Å; I76-K78 PolarHBondContact O-N 2.88Å
79G96.1Very high96.4Very high3 Ų333.5 Ų33.53%0.03118%0.183CC..  trans-70.3142.2-175.200000112.8S75 I76 K108S75-G79 WeakPolarHBondContact O-CA 3.39Å; S75-G79 PolarHBondContact O-N 2.84Å; I76-G79 PolarHBondContact O-N 3.33Å; G79-K108 VanDerWaalsContact O-CE 3.24Å; G79-K108 WeakPolarHBondContact O-CE 3.49Å; G79-K108 PolarHBondContact O-NZ 2.82Å
80H95.7Very high96.7Very high51 Ų5131.3 Ų31.324%0.23617%0.169CC..SBendtrans-94.5-28.8172.4-60.2118.2000111.8D7 Y8 R9D7-H80 PolarHBondContact O-CE1 3.49Å; D7-H80 PolarHBondContact O-ND1 3.09Å; Y8-H80 HydrophobicContact CD2-CB 4.09Å; Y8-H80 HydrophobicContact CE1-CB 4.34Å; Y8-H80 HydrophobicContact CE2-CB 3.69Å; R9-H80 PolarHBondContact N-ND1 3.31Å; R9-H80 WeakPolarHBondContact O-CA 3.44Å; R9-H80 WeakPolarHBondContact O-CB 3.43Å; R9-H80 PolarHBondContact O-N 2.8Å
81A97.7Very high97Very high0 Ų032.7 Ų32.70%016%0.162CC..EExtended strand (participates in β ladder)trans-146.2158.9179.900000111.1Y8 R9 V10 A11 P115 L165Y8-A81 HydrophobicContact CE1-CB 3.89Å; R9-A81 PolarHBondContact O-N 2.76Å; R9-A81 VanDerWaalsContact O-N 3.14Å; V10-A81 WeakPolarHBondContact CA-O 3.39Å; V10-A81 HydrophobicContact CG2-CB 4.21Å; A11-A81 PolarHBondContact N-O 2.68Å; A11-A81 VanDerWaalsContact N-O 3.12Å; A81-P115 CarbonylContact C-O 3.52Å; A81-P115 VanDerWaalsContact CA-O 3.31Å; A81-P115 WeakPolarHBondContact CA-O 3.35Å; A81-P115 HydrophobicContact CB-CB 3.74Å; A81-P115 HydrophobicContact CB-CG 4.27Å; A81-L165 HydrophobicContact CB-CD1 4.22Å; A81-L165 HydrophobicContact CB-CD2 3.96Å; A81-L165 HydrophobicContact CB-CG 4.04Å
82F98.4Very high97.2Very high0 Ų035 Ų350%017%0.172CC..EExtended strand (participates in β ladder)trans-133.2136.1-173.4-56.4-70.6000112.2A11 F13 I76 I104 K108 I114 P115 I116 M117A11-F82 HydrophobicContact CB-CD1 4.03Å; A11-F82 HydrophobicContact CB-CE1 4.19Å; A11-F82 WeakPolarHBondContact O-CA 3.42Å; F13-F82 HydrophobicContact CD2-CD1 4.36Å; F13-F82 AromaticContact CE2-CD1 3.82Å; F13-F82 HydrophobicContact CE2-CD1 3.82Å; F13-F82 HydrophobicContact CE2-CE1 4.23Å; I76-F82 HydrophobicContact CB-CE1 4.44Å; I76-F82 HydrophobicContact CB-CZ 4.5Å; I76-F82 HydrophobicContact CG1-CE1 4.4Å; I76-F82 HydrophobicContact CG2-CE1 4.48Å; I76-F82 HydrophobicContact CG2-CZ 4.11Å; I76-F82 WeakPolarHBondContact O-CZ 3.46Å; F82-I104 HydrophobicContact CB-CD1 3.95Å; F82-I104 HydrophobicContact CD1-CD1 4.12Å; F82-I104 HydrophobicContact CD1-CG1 4.47Å; F82-I104 HydrophobicContact CD2-CD1 4.14Å; F82-I104 HydrophobicContact CD2-CG1 4.36Å; F82-I104 HydrophobicContact CD2-CG2 3.68Å; F82-I104 HydrophobicContact CE2-CG2 3.73Å; F82-I104 HydrophobicContact CG-CD1 3.77Å; F82-I104 HydrophobicContact CG-CG1 4.32Å; F82-I104 HydrophobicContact CG-CG2 4.42Å; F82-K108 HydrophobicContact CE2-CG 4.18Å; F82-I114 HydrophobicContact CD2-CG2 3.74Å; F82-I114 HydrophobicContact CE2-CG2 3.76Å; F82-P115 PolarHBondContact N-O 2.89Å; F82-I116 HydrophobicContact CB-CG1 4.34Å; F82-I116 HydrophobicContact CD2-CG1 4.2Å; F82-I116 WeakPolarHBondContact O-CA 3.19Å; F82-M117 PolarHBondContact O-N 2.54Å
83I98.7Very high97.4Very high2 Ų233.7 Ų33.71%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-113121.9169.8-57.4178.8000107.5V10 A11 V12 F13 V85 V119 L161 F162 L165V10-I83 HydrophobicContact CG1-CD1 3.89Å; V10-I83 HydrophobicContact CG1-CG1 3.89Å; A11-I83 PolarHBondContact O-N 3.21Å; V12-I83 WeakPolarHBondContact CA-O 3.31Å; V12-I83 HydrophobicContact CG1-CB 4.26Å; V12-I83 HydrophobicContact CG1-CG2 4.33Å; V12-I83 HydrophobicContact CG2-CB 4.32Å; V12-I83 HydrophobicContact CG2-CD1 4.29Å; F13-I83 PolarHBondContact N-O 3.11Å; I83-V85 HydrophobicContact CG2-CG2 3.67Å; I83-V119 HydrophobicContact CG2-CB 4.37Å; I83-V119 HydrophobicContact CG2-CG2 3.58Å; I83-L161 HydrophobicContact CD1-CD1 4.29Å; I83-L161 HydrophobicContact CD1-CD2 4.35Å; I83-L161 HydrophobicContact CD1-CG 4.3Å; I83-L161 HydrophobicContact CG2-CD1 4.38Å; I83-L161 HydrophobicContact CG2-CD2 4.45Å; I83-F162 HydrophobicContact CD1-CD1 4.16Å; I83-F162 HydrophobicContact CD1-CE1 3.68Å; I83-F162 HydrophobicContact CD1-CZ 4.08Å; I83-L165 HydrophobicContact CD1-CD2 3.88Å; I83-L165 HydrophobicContact CG1-CD1 4.44Å; I83-L165 HydrophobicContact CG1-CD2 3.62Å
84L98.6Very high97.5Very high0 Ų029.2 Ų29.20%015%0.15CC..EExtended strand (participates in β ladder)trans-107.4104.4178.9-56.7-174000108.6F13 L97 I100 Y101 I104 I116 M117 L118 V119 W143F13-L84 HydrophobicContact CB-CD2 3.96Å; F13-L84 HydrophobicContact CD2-CD2 4.22Å; L84-L97 HydrophobicContact CB-CD1 3.99Å; L84-L97 HydrophobicContact CB-CD2 3.98Å; L84-L97 HydrophobicContact CB-CG 4.49Å; L84-I100 HydrophobicContact CD2-CG2 4.18Å; L84-Y101 HydrophobicContact CD1-CD2 4.13Å; L84-I104 HydrophobicContact CD2-CD1 3.89Å; L84-I116 HydrophobicContact CD1-CG2 3.97Å; L84-I116 HydrophobicContact CG-CG2 4.17Å; L84-M117 PolarHBondContact N-O 3.33Å; L84-L118 HydrophobicContact CB-CD1 4.31Å; L84-V119 PolarHBondContact O-N 3.02Å; L84-W143 HydrophobicContact CD1-CE3 4.32Å; L84-W143 HydrophobicContact CD1-CZ3 4Å
85V98.8Very high97.7Very high0 Ų031.5 Ų31.50%016%0.159CC..EExtended strand (participates in β ladder)trans-101.7130.4-171.9-169.50000110.6V12 F13 G14 V18 K20 L23 I83 V119 N121V12-V85 HydrophobicContact CG1-CG2 3.69Å; F13-V85 PolarHBondContact O-N 3.21Å; G14-V85 VanDerWaalsContact CA-O 3.23Å; G14-V85 WeakPolarHBondContact CA-O 3.35Å; V18-V85 HydrophobicContact CB-CG1 4.27Å; V18-V85 HydrophobicContact CG2-CB 3.96Å; V18-V85 HydrophobicContact CG2-CG1 3.79Å; K20-V85 HydrophobicContact CG-CB 4.17Å; K20-V85 HydrophobicContact CG-CG2 4.26Å; L23-V85 HydrophobicContact CD1-CG1 3.93Å; L23-V85 HydrophobicContact CD1-CG2 4.09Å; I83-V85 HydrophobicContact CG2-CG2 3.67Å; V85-V119 WeakPolarHBondContact CA-O 3.18Å; V85-V119 HydrophobicContact CG2-CB 4.37Å; V85-N121 HydrophobicContact CG1-CB 3.83Å
86Y98.8Very high97.7Very high0 Ų033.7 Ų33.70%017%0.168CC..EExtended strand (participates in β ladder)trans-124.2164.8166.177-80.6000110I88 L94 L97 L118 V119 G120 N121 V131 A136 F147Y86-I88 HydrophobicContact CE2-CG2 4.23Å; Y86-L94 HydrophobicContact CD1-CD1 3.64Å; Y86-L94 HydrophobicContact CD2-CB 3.9Å; Y86-L94 HydrophobicContact CD2-CD1 4.21Å; Y86-L94 HydrophobicContact CE1-CD1 3.95Å; Y86-L94 HydrophobicContact CG-CB 4.01Å; Y86-L94 HydrophobicContact CG-CD1 3.79Å; Y86-L94 HydrophobicContact CG-CG 4.48Å; Y86-L97 HydrophobicContact CD1-CD1 4.39Å; Y86-L118 HydrophobicContact CD1-CD1 4Å; Y86-L118 HydrophobicContact CD1-CG 4.43Å; Y86-L118 HydrophobicContact CE1-CD1 4.3Å; Y86-L118 HydrophobicContact CE1-CG 4.24Å; Y86-V119 WeakPolarHBondContact CD1-O 3.18Å; Y86-V119 PolarHBondContact N-O 2.97Å; Y86-G120 VanDerWaalsContact CE1-N 3.35Å; Y86-N121 PolarHBondContact O-N 3.3Å; Y86-V131 HydrophobicContact CD2-CG2 4.43Å; Y86-V131 HydrophobicContact CE2-CB 3.85Å; Y86-V131 HydrophobicContact CE2-CG1 3.75Å; Y86-V131 HydrophobicContact CE2-CG2 4.1Å; Y86-A136 HydrophobicContact CE1-CB 4.11Å; Y86-A136 WeakPolarHBondContact OH-CB 3.48Å; Y86-F147 HydrophobicContact CE1-CE2 4.35Å
87S98.6Very high97.8Very high3 Ų333.7 Ų33.72%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-94.6130.3172.2-165.50000109T89 S90 S93 K122S87-T89 PolarHBondContact O-N 2.87Å; S87-T89 PolarHBondContact OG-OG1 3.29Å; S87-S90 PolarHBondContact O-N 2.94Å; S87-S93 PolarHBondContact N-OG 3.3Å; S87-S93 PolarHBondContact O-OG 3.27Å; S87-K122 WeakPolarHBondContact OG-CD 3.23Å
88I98.7Very high97.9Very high0 Ų035.7 Ų35.70%017%0.167CC..THydrogen-bonded Turntrans-60.6-18.7175.564147.3000112.9Y86 N121 K122 R129 E130 V131Y86-I88 HydrophobicContact CE2-CG2 4.23Å; I88-N121 PolarHBondContact N-O 3.06Å; I88-K122 VanDerWaalsContact CD1-O 3.3Å; I88-K122 WeakPolarHBondContact CD1-O 3.42Å; I88-K122 VanDerWaalsContact CG1-O 3.27Å; I88-K122 WeakPolarHBondContact CG1-O 3.48Å; I88-R129 HydrophobicContact CD1-CB 4.16Å; I88-R129 HydrophobicContact CD1-CG 4.25Å; I88-E130 PolarHBondContact O-N 3.28Å; I88-V131 PolarHBondContact O-N 3.34Å; I88-V131 VanDerWaalsContact O-N 3.13Å
89T98.6Very high97.9Very high26 Ų2634 Ų3416%0.1617%0.168CC..THydrogen-bonded Turntrans-92.89.717858.90000113.9S87 E125 S128S87-T89 PolarHBondContact O-N 2.87Å; S87-T89 PolarHBondContact OG-OG1 3.29Å; T89-E125 HydrophobicContact CG2-CB 3.56Å; T89-E125 VanDerWaalsContact CG2-OE2 3.29Å; T89-E125 WeakPolarHBondContact CG2-OE2 3.05Å; T89-E125 PolarHBondContact OG1-OE2 2.81Å; T89-S128 WeakPolarHBondContact CA-O 3.4Å; T89-S128 WeakPolarHBondContact CB-O 3.39Å; T89-S128 WeakPolarHBondContact CG2-O 3.5Å
90S98.4Very high97.9Very high36 Ų3634.9 Ų34.925%0.25217%0.171SC..  trans-146.6102.6176.4176.30000110.8S87 Q92 S93 E130S87-S90 PolarHBondContact O-N 2.94Å; S90-Q92 VanDerWaalsContact C-N 3.29Å; S90-Q92 PolarHBondContact O-N 3.07Å; S90-S93 WeakPolarHBondContact O-CB 3.4Å; S90-S93 PolarHBondContact O-N 3.46Å; S90-S93 VanDerWaalsContact O-N 3.14Å; S90-S93 PolarHBondContact O-OG 3.12Å; S90-S93 PolarHBondContact OG-N 3.02Å; S90-E130 VanDerWaalsContact CA-OE2 3.32Å; S90-E130 WeakPolarHBondContact CA-OE2 3.39Å
91R98.3Very high98Very high86 Ų8633.7 Ų33.733%0.32517%0.165SC..Hα-helixtrans-57.6-42.7173.7174169.7-67-77.3-10.4112.2S93 L94 E95 E130 V131 E135R91-S93 PolarHBondContact O-N 3.29Å; R91-L94 WeakPolarHBondContact O-CB 3.11Å; R91-L94 PolarHBondContact O-N 2.92Å; R91-E95 WeakPolarHBondContact CG-OE1 3.27Å; R91-E95 PolarHBondContact O-N 3.38Å; R91-E130 HydrophobicContact CB-CB 4.34Å; R91-E130 PolarHBondContact N-OE2 3.48Å; R91-E130 PolarHBondContact NH2-O 2.89Å; R91-V131 HydrophobicContact CB-CG2 4.16Å; R91-E135 IonicContact CZ-OE1 3.61Å; R91-E135 IonicContact CZ-OE2 3.99Å; R91-E135 IonicContact NH1-OE1 3.71Å; R91-E135 PolarHBondContact NH1-OE1 3.39Å; R91-E135 IonicContact NH1-OE2 2.79Å; R91-E135 PolarHBondContact NH1-OE2 3.31Å; R91-E135 IonicContact NH2-OE1 2.73Å; R91-E135 PolarHBondContact NH2-OE1 2.95Å; R91-E135 IonicContact NH2-OE2 3.58Å; R91-E135 PolarHBondContact NH2-OE2 2.92Å
92Q98.2Very high97.9Very high122 Ų12238.7 Ų38.757%0.5719%0.188SC*.Hα-helixtrans-53.8-40.2176.3-178-176.3-1300111.9S90 L94 E95 E96S90-Q92 VanDerWaalsContact C-N 3.29Å; S90-Q92 PolarHBondContact O-N 3.07Å; Q92-L94 PolarHBondContact O-N 3Å; Q92-E95 PolarHBondContact O-N 3.28Å; Q92-E95 VanDerWaalsContact O-N 3.13Å; Q92-E96 HydrophobicContact CG-CG 4.5Å; Q92-E96 PolarHBondContact NE2-OE1 3.01Å; Q92-E96 PolarHBondContact O-N 2.91Å
93S98.3Very high97.8Very high4 Ų439.9 Ų39.93%0.02819%0.194CC..Hα-helixtrans-65.2-25.5-18075.70000114S87 S90 R91S87-S93 PolarHBondContact N-OG 3.3Å; S87-S93 PolarHBondContact O-OG 3.27Å; S90-S93 WeakPolarHBondContact O-CB 3.4Å; S90-S93 PolarHBondContact O-N 3.46Å; S90-S93 VanDerWaalsContact O-N 3.14Å; S90-S93 PolarHBondContact O-OG 3.12Å; S90-S93 PolarHBondContact OG-N 3.02Å; R91-S93 PolarHBondContact O-N 3.29Å
94L98.5Very high97.8Very high9 Ų939.8 Ų39.85%0.04719%0.194CC..Hα-helixtrans-75.6-42.8171.9-179.463.5000110.9Y86 R91 Q92 E96 L97 L118 V131 L139Y86-L94 HydrophobicContact CD1-CD1 3.64Å; Y86-L94 HydrophobicContact CD2-CB 3.9Å; Y86-L94 HydrophobicContact CD2-CD1 4.21Å; Y86-L94 HydrophobicContact CE1-CD1 3.95Å; Y86-L94 HydrophobicContact CG-CB 4.01Å; Y86-L94 HydrophobicContact CG-CD1 3.79Å; Y86-L94 HydrophobicContact CG-CG 4.48Å; R91-L94 WeakPolarHBondContact O-CB 3.11Å; R91-L94 PolarHBondContact O-N 2.92Å; Q92-L94 PolarHBondContact O-N 3Å; L94-E96 VanDerWaalsContact C-N 3.31Å; L94-E96 PolarHBondContact O-N 2.95Å; L94-L97 HydrophobicContact CD1-CD1 4.28Å; L94-L97 WeakPolarHBondContact O-CB 3.39Å; L94-L97 PolarHBondContact O-N 3.49Å; L94-L97 VanDerWaalsContact O-N 3.14Å; L94-L118 HydrophobicContact CD1-CD1 4.02Å; L94-L118 HydrophobicContact CD1-CD2 4.34Å; L94-V131 HydrophobicContact CD2-CG1 3.79Å; L94-V131 HydrophobicContact CD2-CG2 4.33Å; L94-L139 HydrophobicContact CD1-CD2 3.76Å; L94-L139 HydrophobicContact CD2-CD2 4.13Å; L94-L139 HydrophobicContact CG-CD2 3.98Å
95E97.7Very high97.6Very high120 Ų12041.3 Ų41.356%0.56120%0.203SC*.Hα-helixtrans-62.9-37.8179.2-66.2171.818000111.8R91 Q92 L97 K98R91-E95 WeakPolarHBondContact CG-OE1 3.27Å; R91-E95 PolarHBondContact O-N 3.38Å; Q92-E95 PolarHBondContact O-N 3.28Å; Q92-E95 VanDerWaalsContact O-N 3.13Å; E95-L97 PolarHBondContact O-N 3.34Å; E95-L97 VanDerWaalsContact O-N 3.15Å; E95-K98 WeakPolarHBondContact O-CB 2.99Å; E95-K98 PolarHBondContact O-N 2.97Å
96E96.8Very high97.5Very high61 Ų6147.5 Ų47.529%0.28523%0.232SC..THydrogen-bonded Turntrans-61.5-18.6175.3-77.3-176.6-14900113.7A15 S65 Q92 L94 P99A15-E96 VanDerWaalsContact CB-OE2 3.23Å; A15-E96 WeakPolarHBondContact CB-OE2 2.96Å; S65-E96 PolarHBondContact OG-OE2 3.21Å; Q92-E96 HydrophobicContact CG-CG 4.5Å; Q92-E96 PolarHBondContact NE2-OE1 3.01Å; Q92-E96 PolarHBondContact O-N 2.91Å; L94-E96 VanDerWaalsContact C-N 3.31Å; L94-E96 PolarHBondContact O-N 2.95Å; E96-P99 WeakPolarHBondContact O-CD 3.43Å; E96-P99 WeakPolarHBondContact O-CG 3.41Å
97L97.9Very high97.4Very high0 Ų050 Ų500%025%0.246CC..Hα-helixtrans-76.6-24177.8-68.3175.7000113.3L84 Y86 L94 E95 I100 Y101 L118 W143L84-L97 HydrophobicContact CB-CD1 3.99Å; L84-L97 HydrophobicContact CB-CD2 3.98Å; L84-L97 HydrophobicContact CB-CG 4.49Å; Y86-L97 HydrophobicContact CD1-CD1 4.39Å; L94-L97 HydrophobicContact CD1-CD1 4.28Å; L94-L97 WeakPolarHBondContact O-CB 3.39Å; L94-L97 PolarHBondContact O-N 3.49Å; L94-L97 VanDerWaalsContact O-N 3.14Å; E95-L97 PolarHBondContact O-N 3.34Å; E95-L97 VanDerWaalsContact O-N 3.15Å; L97-I100 HydrophobicContact CD2-CD1 4.37Å; L97-I100 WeakPolarHBondContact O-CB 3.4Å; L97-I100 PolarHBondContact O-N 3.09Å; L97-I100 VanDerWaalsContact O-N 3.16Å; L97-Y101 PolarHBondContact O-N 2.67Å; L97-L118 HydrophobicContact CD1-CD1 3.58Å; L97-W143 HydrophobicContact CB-CH2 3.81Å; L97-W143 HydrophobicContact CB-CZ3 4.11Å
98K97.4Very high97.2Very high115 Ų11552.8 Ų52.850%0.526%0.257SS..Hα-helixtrans-55.2-53.8-177.3-178.6177.7174.5-177.90113.4E95 I100 Y101 E102 W143E95-K98 WeakPolarHBondContact O-CB 2.99Å; E95-K98 PolarHBondContact O-N 2.97Å; K98-I100 PolarHBondContact O-N 2.9Å; K98-Y101 PolarHBondContact O-N 3.25Å; K98-E102 WeakPolarHBondContact CE-OE1 3.15Å; K98-E102 WeakPolarHBondContact O-CG 3.18Å; K98-E102 PolarHBondContact O-N 3.28Å; K98-W143 HydrophobicContact CB-CH2 4.46Å; K98-W143 HydrophobicContact CB-CZ2 3.99Å; K98-W143 HydrophobicContact CG-CZ2 4.36Å
99P96.2Very high96.9Very high77 Ų7755.2 Ų55.250%0.528%0.283SS..Hα-helixtrans-63.6-29.2178.824.1-35.1000113.2E96 Q103E96-P99 WeakPolarHBondContact O-CD 3.43Å; E96-P99 WeakPolarHBondContact O-CG 3.41Å; P99-Q103 WeakPolarHBondContact O-CB 3.37Å; P99-Q103 PolarHBondContact O-N 2.54Å; P99-Q103 VanDerWaalsContact O-N 3.09Å
100I96.5Very high96.4Very high20 Ų2058.6 Ų58.610%0.10330%0.299CS..Hα-helixtrans-69.9-46.6176.4-55.7177.6000109.9F13 L84 L97 K98 Q103 I104F13-I100 HydrophobicContact CB-CD1 4.17Å; F13-I100 HydrophobicContact CB-CG2 3.91Å; F13-I100 HydrophobicContact CD1-CG2 4.35Å; F13-I100 HydrophobicContact CD2-CG2 4.03Å; F13-I100 HydrophobicContact CG-CG2 3.86Å; L84-I100 HydrophobicContact CD2-CG2 4.18Å; L97-I100 HydrophobicContact CD2-CD1 4.37Å; L97-I100 WeakPolarHBondContact O-CB 3.4Å; L97-I100 PolarHBondContact O-N 3.09Å; L97-I100 VanDerWaalsContact O-N 3.16Å; K98-I100 PolarHBondContact O-N 2.9Å; I100-Q103 PolarHBondContact O-N 3.12Å; I100-I104 HydrophobicContact CG2-CD1 4.28Å; I100-I104 WeakPolarHBondContact O-CG1 3.46Å; I100-I104 PolarHBondContact O-N 3.01Å
101Y97.1Very high95.6Very high27 Ų2757.8 Ų57.811%0.10629%0.293CS..Hα-helixtrans-58.7-48.5175.6173.7-99000111.2L84 L97 K98 Q103 I104 C105 V111 I116 W143L84-Y101 HydrophobicContact CD1-CD2 4.13Å; L97-Y101 PolarHBondContact O-N 2.67Å; K98-Y101 PolarHBondContact O-N 3.25Å; Y101-Q103 VanDerWaalsContact C-N 3.28Å; Y101-Q103 PolarHBondContact O-N 3.2Å; Y101-I104 WeakPolarHBondContact O-CA 3.33Å; Y101-I104 WeakPolarHBondContact O-CB 3.4Å; Y101-I104 PolarHBondContact O-N 3.35Å; Y101-C105 VanDerWaalsContact CE1-SG 3.52Å; Y101-C105 PolarHBondContact O-N 3.13Å; Y101-C105 PolarHBondContact O-SG 2.91Å; Y101-V111 HydrophobicContact CE2-CG1 4.12Å; Y101-I116 HydrophobicContact CD2-CD1 4.42Å; Y101-I116 HydrophobicContact CE2-CD1 4.15Å; Y101-W143 AromaticContact CD1-CD1 3.89Å; Y101-W143 AromaticContact CD1-CD2 3.73Å; Y101-W143 HydrophobicContact CD1-CD2 3.73Å; Y101-W143 AromaticContact CD1-CE2 3.81Å; Y101-W143 HydrophobicContact CD1-CE3 4.29Å; Y101-W143 AromaticContact CD1-CG 3.82Å; Y101-W143 HydrophobicContact CD1-CG 3.82Å; Y101-W143 HydrophobicContact CD1-CZ2 4.44Å; Y101-W143 AromaticContact CD1-NE1 3.87Å; Y101-W143 HydrophobicContact CD2-CB 4.27Å; Y101-W143 AromaticContact CD2-CD2 3.98Å; Y101-W143 HydrophobicContact CD2-CD2 3.98Å; Y101-W143 AromaticContact CD2-CE3 3.84Å; Y101-W143 HydrophobicContact CD2-CE3 3.84Å; Y101-W143 HydrophobicContact CD2-CG 4.2Å; Y101-W143 HydrophobicContact CE1-CB 3.98Å; Y101-W143 AromaticContact CE1-CD1 3.63Å; Y101-W143 HydrophobicContact CE1-CD2 4.06Å; Y101-W143 AromaticContact CE1-CG 3.62Å; Y101-W143 HydrophobicContact CE1-CG 3.62Å; Y101-W143 HydrophobicContact CE2-CB 3.71Å; Y101-W143 HydrophobicContact CE2-CD2 4.3Å; Y101-W143 HydrophobicContact CE2-CE3 4.43Å; Y101-W143 HydrophobicContact CE2-CG 4.02Å; Y101-W143 AromaticContact CG-CD2 3.7Å; Y101-W143 HydrophobicContact CG-CD2 3.7Å; Y101-W143 AromaticContact CG-CE3 3.77Å; Y101-W143 HydrophobicContact CG-CE3 3.77Å; Y101-W143 HydrophobicContact CG-CG 4.12Å; Y101-W143 HydrophobicContact CG-CZ2 4.48Å; Y101-W143 HydrophobicContact CG-CZ3 4.2Å; Y101-W143 AromaticContact CZ-CG 3.75Å; Y101-W143 WeakPolarHBondContact OH-CA 3.32Å; Y101-W143 PolarHBondContact OH-O 3.08Å
102E96.3Very high95Very high104 Ų10458.7 Ų58.749%0.48630%0.301SS..Hα-helixtrans-57.7-39.4176.8-72.1171.6173.900112.3K98 C105 E106K98-E102 WeakPolarHBondContact CE-OE1 3.15Å; K98-E102 WeakPolarHBondContact O-CG 3.18Å; K98-E102 PolarHBondContact O-N 3.28Å; E102-C105 WeakPolarHBondContact O-CB 3.35Å; E102-C105 PolarHBondContact O-N 2.94Å; E102-E106 PolarHBondContact O-N 3.16Å
103Q96.2Very high94.5Very high26 Ų2654.8 Ų54.812%0.12129%0.287CS..Hα-helixtrans-70.2-33.2175.9-171.9173.178.600113.1R73 I76 P99 I100 Y101 C105 E106 I107R73-Q103 HydrophobicContact CG-CG 4.49Å; R73-Q103 VanDerWaalsContact CZ-NE2 3.28Å; I76-Q103 HydrophobicContact CD1-CB 4.14Å; I76-Q103 HydrophobicContact CD1-CG 3.8Å; P99-Q103 WeakPolarHBondContact O-CB 3.37Å; P99-Q103 PolarHBondContact O-N 2.54Å; P99-Q103 VanDerWaalsContact O-N 3.09Å; I100-Q103 PolarHBondContact O-N 3.12Å; Y101-Q103 VanDerWaalsContact C-N 3.28Å; Y101-Q103 PolarHBondContact O-N 3.2Å; Q103-C105 VanDerWaalsContact C-N 3.35Å; Q103-E106 PolarHBondContact O-N 2.87Å; Q103-I107 HydrophobicContact CG-CD1 3.76Å; Q103-I107 HydrophobicContact CG-CG1 4.37Å; Q103-I107 WeakPolarHBondContact O-CB 3.29Å; Q103-I107 WeakPolarHBondContact O-CG1 3.43Å; Q103-I107 PolarHBondContact O-N 2.84Å
104I97.1Very high94.3Very high0 Ų055.6 Ų55.60%029%0.291CS..Hα-helixtrans-60.8-48.4170.6-69.4163.9000109.4I76 F82 L84 I100 Y101 E106 I107 K108 I116I76-I104 HydrophobicContact CD1-CG1 3.83Å; I76-I104 HydrophobicContact CG1-CG1 3.88Å; I76-I104 HydrophobicContact CG2-CB 4.42Å; I76-I104 HydrophobicContact CG2-CG1 4.05Å; F82-I104 HydrophobicContact CB-CD1 3.95Å; F82-I104 HydrophobicContact CD1-CD1 4.12Å; F82-I104 HydrophobicContact CD1-CG1 4.47Å; F82-I104 HydrophobicContact CD2-CD1 4.14Å; F82-I104 HydrophobicContact CD2-CG1 4.36Å; F82-I104 HydrophobicContact CD2-CG2 3.68Å; F82-I104 HydrophobicContact CE2-CG2 3.73Å; F82-I104 HydrophobicContact CG-CD1 3.77Å; F82-I104 HydrophobicContact CG-CG1 4.32Å; F82-I104 HydrophobicContact CG-CG2 4.42Å; L84-I104 HydrophobicContact CD2-CD1 3.89Å; I100-I104 HydrophobicContact CG2-CD1 4.28Å; I100-I104 WeakPolarHBondContact O-CG1 3.46Å; I100-I104 PolarHBondContact O-N 3.01Å; Y101-I104 WeakPolarHBondContact O-CA 3.33Å; Y101-I104 WeakPolarHBondContact O-CB 3.4Å; Y101-I104 PolarHBondContact O-N 3.35Å; I104-E106 VanDerWaalsContact C-N 3.35Å; I104-E106 PolarHBondContact O-N 2.68Å; I104-I107 PolarHBondContact O-N 3.28Å; I104-K108 HydrophobicContact CG2-CG 4.24Å; I104-K108 WeakPolarHBondContact O-CB 3.43Å; I104-K108 WeakPolarHBondContact O-CG 3.16Å; I104-K108 PolarHBondContact O-N 2.63Å; I104-I116 HydrophobicContact CG2-CD1 3.83Å
105C95.9Very high94.2Very high31 Ų3155.2 Ų55.221%0.20929%0.289CS..Hα-helixtrans-56.5-47.6176.5-54.90000111.8Y101 E102 Q103 I107 G109 V111Y101-C105 VanDerWaalsContact CE1-SG 3.52Å; Y101-C105 PolarHBondContact O-N 3.13Å; Y101-C105 PolarHBondContact O-SG 2.91Å; E102-C105 WeakPolarHBondContact O-CB 3.35Å; E102-C105 PolarHBondContact O-N 2.94Å; Q103-C105 VanDerWaalsContact C-N 3.35Å; C105-I107 PolarHBondContact O-N 2.89Å; C105-G109 WeakPolarHBondContact O-CA 3.25Å; C105-G109 PolarHBondContact O-N 2.88Å; C105-V111 HydrophobicContact CB-CG2 3.68Å; C105-V111 WeakPolarHBondContact SG-CG2 3.34Å
106E96.2Very high94.3Very high130 Ų13049.7 Ų49.761%0.60726%0.264SS*.Hα-helixtrans-58.6-49.8179.5-174.4-166.8-166.300112R73 E102 Q103 I104R73-E106 IonicContact CZ-OE2 3.65Å; R73-E106 IonicContact NH1-OE1 3.51Å; R73-E106 IonicContact NH1-OE2 2.88Å; R73-E106 PolarHBondContact NH1-OE2 3.17Å; R73-E106 IonicContact NH2-OE2 2.65Å; R73-E106 PolarHBondContact NH2-OE2 2.93Å; E102-E106 PolarHBondContact O-N 3.16Å; Q103-E106 PolarHBondContact O-N 2.87Å; I104-E106 VanDerWaalsContact C-N 3.35Å; I104-E106 PolarHBondContact O-N 2.68Å
107I96.6Very high94.3Very high54 Ų5446.9 Ų46.928%0.27725%0.25SS..Hα-helixtrans-77-30.9-172.7-67.5173000111.9R73 I76 Q103 I104 C105R73-I107 HydrophobicContact CB-CD1 3.96Å; R73-I107 HydrophobicContact CG-CD1 3.89Å; I76-I107 HydrophobicContact CB-CD1 3.99Å; I76-I107 HydrophobicContact CD1-CD1 4.29Å; I76-I107 HydrophobicContact CG2-CB 3.73Å; I76-I107 HydrophobicContact CG2-CD1 3.83Å; I76-I107 HydrophobicContact CG2-CG1 4.34Å; I76-I107 HydrophobicContact CG2-CG2 3.77Å; Q103-I107 HydrophobicContact CG-CD1 3.76Å; Q103-I107 HydrophobicContact CG-CG1 4.37Å; Q103-I107 WeakPolarHBondContact O-CB 3.29Å; Q103-I107 WeakPolarHBondContact O-CG1 3.43Å; Q103-I107 PolarHBondContact O-N 2.84Å; I104-I107 PolarHBondContact O-N 3.28Å; C105-I107 PolarHBondContact O-N 2.89Å
108K95.5Very high94.4Very high60 Ų6046.9 Ų46.926%0.26125%0.25SS..Hα-helixtrans-97.9-22.6-174.1-68.6-58.5-164.6-170.10114.8I76 S77 G79 F82 I104 D110 I114I76-K108 HydrophobicContact CG2-CG 4.35Å; I76-K108 WeakPolarHBondContact O-CE 3.35Å; I76-K108 PolarHBondContact O-NZ 3.47Å; S77-K108 PolarHBondContact O-NZ 3.16Å; G79-K108 VanDerWaalsContact O-CE 3.24Å; G79-K108 WeakPolarHBondContact O-CE 3.49Å; G79-K108 PolarHBondContact O-NZ 2.82Å; F82-K108 HydrophobicContact CE2-CG 4.18Å; I104-K108 HydrophobicContact CG2-CG 4.24Å; I104-K108 WeakPolarHBondContact O-CB 3.43Å; I104-K108 WeakPolarHBondContact O-CG 3.16Å; I104-K108 PolarHBondContact O-N 2.63Å; K108-D110 PolarHBondContact O-N 2.89Å; K108-D110 VanDerWaalsContact O-N 3.16Å; K108-I114 HydrophobicContact CB-CD1 3.2Å; K108-I114 HydrophobicContact CD-CD1 3.72Å; K108-I114 HydrophobicContact CG-CD1 3.39Å
109G91.8Very high94.5Very high52 Ų5241.4 Ų41.454%0.53623%0.226SC..SBendtrans75.8-94.3-175.400000111.8C105 V111C105-G109 WeakPolarHBondContact O-CA 3.25Å; C105-G109 PolarHBondContact O-N 2.88Å; G109-V111 PolarHBondContact O-N 3.37Å
110D86.8Confident94.6Very high96 Ų9637.7 Ų37.751%0.51320%0.203SC..  trans-79.391.5-174-177.510.4000112.3K108 E112 S113K108-D110 PolarHBondContact O-N 2.89Å; K108-D110 VanDerWaalsContact O-N 3.16Å; D110-E112 VanDerWaalsContact C-N 3.27Å; D110-E112 PolarHBondContact O-N 3.31Å; D110-E112 PolarHBondContact OD1-N 3.11Å; D110-S113 PolarHBondContact O-N 3.37Å; D110-S113 PolarHBondContact O-OG 2.86Å
111V83.4Confident94.7Very high20 Ų2036.9 Ų36.912%0.12120%0.198CC..G310 helixtrans-61.4-32.8180-176.60000112.5Y101 C105 G109 S113 I114 I116Y101-V111 HydrophobicContact CE2-CG1 4.12Å; C105-V111 HydrophobicContact CB-CG2 3.68Å; C105-V111 WeakPolarHBondContact SG-CG2 3.34Å; G109-V111 PolarHBondContact O-N 3.37Å; V111-S113 PolarHBondContact O-N 3.46Å; V111-I114 PolarHBondContact O-N 2.94Å; V111-I116 HydrophobicContact CG1-CD1 3.67Å
112E85.7Confident94.8Very high104 Ų10438.1 Ų38.149%0.48620%0.204SC..G310 helixtrans-70.8-14.9-177.5-63.9-175.9-161.200112.9D110 K144 K170D110-E112 VanDerWaalsContact C-N 3.27Å; D110-E112 PolarHBondContact O-N 3.31Å; D110-E112 PolarHBondContact OD1-N 3.11Å; E112-K144 HydrophobicContact CG-CD 3.87Å; E112-K144 WeakPolarHBondContact OE1-CD 3.29Å; E112-K144 WeakPolarHBondContact OE1-CE 3.37Å; E112-K144 IonicContact OE1-NZ 2.84Å; E112-K144 PolarHBondContact OE1-NZ 3.16Å; E112-K170 PolarHBondContact O-NZ 3.43Å
113S87.2Confident94.9Very high41 Ų4134 Ų3429%0.28719%0.187SC..G310 helixtrans-86.7-6.7173.478.30000113.5D110 V111D110-S113 PolarHBondContact O-N 3.37Å; D110-S113 PolarHBondContact O-OG 2.86Å; V111-S113 PolarHBondContact O-N 3.46Å
114I93.6Very high94.9Very high20 Ų2034.9 Ų34.910%0.10319%0.193CC..SBendtrans-116.5127.2-169.3-62.2-178.2000110.5F82 K108 V111 I116F82-I114 HydrophobicContact CD2-CG2 3.74Å; F82-I114 HydrophobicContact CE2-CG2 3.76Å; K108-I114 HydrophobicContact CB-CD1 3.2Å; K108-I114 HydrophobicContact CD-CD1 3.72Å; K108-I114 HydrophobicContact CG-CD1 3.39Å; V111-I114 PolarHBondContact O-N 2.94Å; I114-I116 HydrophobicContact CG2-CG1 4.09Å; I114-I116 PolarHBondContact O-N 3.5Å; I114-I116 VanDerWaalsContact O-N 3.09Å
115P97.3Very high95Very high2 Ų238.3 Ų38.31%0.01321%0.208CC..  trans-62.8114.1172.2-26.238.1000111.3A81 F82 L165 L168 E169A81-P115 CarbonylContact C-O 3.52Å; A81-P115 VanDerWaalsContact CA-O 3.31Å; A81-P115 WeakPolarHBondContact CA-O 3.35Å; A81-P115 HydrophobicContact CB-CB 3.74Å; A81-P115 HydrophobicContact CB-CG 4.27Å; F82-P115 PolarHBondContact N-O 2.89Å; P115-L165 HydrophobicContact CB-CD1 3.9Å; P115-L165 HydrophobicContact CB-CG 4.29Å; P115-L165 WeakPolarHBondContact CB-O 3.36Å; P115-L168 HydrophobicContact CB-CB 3.79Å; P115-L168 HydrophobicContact CG-CB 4.02Å; P115-E169 HydrophobicContact CG-CB 4.04Å
116I98.1Very high94.9Very high4 Ų440.1 Ų40.12%0.02122%0.221CC..EExtended strand (participates in β ladder)trans-126.7130.3172.1-56-177.5000108F82 L84 Y101 I104 V111 I114 C145 A146F82-I116 HydrophobicContact CB-CG1 4.34Å; F82-I116 HydrophobicContact CD2-CG1 4.2Å; F82-I116 WeakPolarHBondContact O-CA 3.19Å; L84-I116 HydrophobicContact CD1-CG2 3.97Å; L84-I116 HydrophobicContact CG-CG2 4.17Å; Y101-I116 HydrophobicContact CD2-CD1 4.42Å; Y101-I116 HydrophobicContact CE2-CD1 4.15Å; I104-I116 HydrophobicContact CG2-CD1 3.83Å; V111-I116 HydrophobicContact CG1-CD1 3.67Å; I114-I116 HydrophobicContact CG2-CG1 4.09Å; I114-I116 PolarHBondContact O-N 3.5Å; I114-I116 VanDerWaalsContact O-N 3.09Å; I116-C145 HydrophobicContact CB-CB 3.75Å; I116-C145 HydrophobicContact CG2-CB 3.75Å; I116-C145 WeakPolarHBondContact O-CB 3.05Å; I116-A146 PolarHBondContact O-N 3Å
117M98.5Very high95Very high1 Ų140 Ų401%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-119.2120.8174.1-172.671.46600110.4F82 L84 V119 A146 M148 L161 E164 L165 L168F82-M117 PolarHBondContact O-N 2.54Å; L84-M117 PolarHBondContact N-O 3.33Å; M117-V119 HydrophobicContact CB-CG2 4.32Å; M117-V119 HydrophobicContact CG-CG2 3.57Å; M117-A146 HydrophobicContact CE-CB 3.56Å; M117-A146 HydrophobicContact SD-CB 3.46Å; M117-A146 WeakPolarHBondContact SD-CB 3.43Å; M117-M148 HydrophobicContact SD-CB 4.21Å; M117-L161 HydrophobicContact CB-CD1 4.14Å; M117-L161 HydrophobicContact CG-CD1 3.47Å; M117-L161 VanDerWaalsContact CG-CD1 3.47Å; M117-E164 HydrophobicContact CE-CB 3.9Å; M117-E164 HydrophobicContact CE-CG 3.68Å; M117-L165 HydrophobicContact CB-CD1 3.88Å; M117-L168 HydrophobicContact CE-CD1 4.27Å
118L98.8Very high95Very high0 Ų041.1 Ų41.10%024%0.244CC..EExtended strand (participates in β ladder)trans-82.6126.1164.6-178.464.9000109.3L84 Y86 L94 L97 A136 L139 A140 W143 A146 F147 M148L84-L118 HydrophobicContact CB-CD1 4.31Å; Y86-L118 HydrophobicContact CD1-CD1 4Å; Y86-L118 HydrophobicContact CD1-CG 4.43Å; Y86-L118 HydrophobicContact CE1-CD1 4.3Å; Y86-L118 HydrophobicContact CE1-CG 4.24Å; L94-L118 HydrophobicContact CD1-CD1 4.02Å; L94-L118 HydrophobicContact CD1-CD2 4.34Å; L97-L118 HydrophobicContact CD1-CD1 3.58Å; L118-A136 HydrophobicContact CD2-CB 4.49Å; L118-A136 WeakPolarHBondContact CD2-O 3.46Å; L118-L139 HydrophobicContact CD2-CD2 4.35Å; L118-A140 HydrophobicContact CB-CB 4.36Å; L118-A140 HydrophobicContact CD2-CB 4.04Å; L118-W143 HydrophobicContact CD1-CZ3 4.25Å; L118-A146 PolarHBondContact N-O 2.79Å; L118-F147 HydrophobicContact CB-CD2 4.33Å; L118-F147 HydrophobicContact CD2-CD2 4.19Å; L118-F147 HydrophobicContact CG-CD2 4.17Å; L118-F147 WeakPolarHBondContact O-CA 3.45Å; L118-F147 WeakPolarHBondContact O-CD2 3.15Å; L118-M148 PolarHBondContact O-N 3.27Å; L118-M148 VanDerWaalsContact O-N 3.1Å
119V98.9Very high95.2Very high0 Ų040.8 Ų40.80%024%0.242CC..EExtended strand (participates in β ladder)trans-124.4114.2-172.7-177.70000111.4L23 I83 L84 V85 Y86 M117 N121 M148 T150 L161L23-V119 HydrophobicContact CD1-CG1 4.18Å; I83-V119 HydrophobicContact CG2-CB 4.37Å; I83-V119 HydrophobicContact CG2-CG2 3.58Å; L84-V119 PolarHBondContact O-N 3.02Å; V85-V119 WeakPolarHBondContact CA-O 3.18Å; V85-V119 HydrophobicContact CG2-CB 4.37Å; Y86-V119 WeakPolarHBondContact CD1-O 3.18Å; Y86-V119 PolarHBondContact N-O 2.97Å; M117-V119 HydrophobicContact CB-CG2 4.32Å; M117-V119 HydrophobicContact CG-CG2 3.57Å; V119-N121 PolarHBondContact O-N 2.87Å; V119-M148 WeakPolarHBondContact CA-O 3.5Å; V119-T150 HydrophobicContact CG1-CG2 3.75Å; V119-T150 WeakPolarHBondContact CG1-OG1 3.48Å; V119-L161 HydrophobicContact CG1-CD2 4.32Å; V119-L161 HydrophobicContact CG2-CD1 3.47Å; V119-L161 VanDerWaalsContact CG2-CD1 3.47Å; V119-L161 HydrophobicContact CG2-CD2 4.07Å; V119-L161 HydrophobicContact CG2-CG 4.43Å
120G98.9Very high95.5Very high0 Ų043.2 Ų43.20%024%0.239CC..EExtended strand (participates in β ladder)trans-84.694.3167.800000110.3Y86 M148 E149 T150Y86-G120 VanDerWaalsContact CE1-N 3.35Å; G120-M148 PolarHBondContact N-O 2.7Å; G120-E149 CarbonylContact O-C 3.54Å; G120-E149 VanDerWaalsContact O-CA 3.25Å; G120-E149 WeakPolarHBondContact O-CA 3.23Å; G120-T150 PolarHBondContact O-N 3.4Å
121N98.8Very high96Very high3 Ų338.6 Ų38.62%0.01622%0.215CC..EExtended strand (participates in β ladder)trans-85.4165.7179.5-171.135.6000111.7V18 L23 V85 Y86 I88 V119 T150 A152V18-N121 PolarHBondContact O-ND2 3.1Å; L23-N121 HydrophobicContact CD1-CB 4.22Å; V85-N121 HydrophobicContact CG1-CB 3.83Å; Y86-N121 PolarHBondContact O-N 3.3Å; I88-N121 PolarHBondContact N-O 3.06Å; V119-N121 PolarHBondContact O-N 2.87Å; N121-T150 CarbonylContact C-O 3.56Å; N121-T150 WeakPolarHBondContact CA-O 3.37Å; N121-T150 PolarHBondContact OD1-O 3.03Å; N121-T150 PolarHBondContact OD1-OG1 3.25Å; N121-A152 PolarHBondContact OD1-N 3.02Å
122K98.3Very high96.7Very high52 Ų5242.6 Ų42.623%0.22623%0.232CC..  trans6635.2-176-43.6-168.5-165.1176.20113.3G17 S87 I88 D124 E125 T150G17-K122 VanDerWaalsContact O-CE 3.23Å; G17-K122 WeakPolarHBondContact O-CE 3.36Å; G17-K122 PolarHBondContact O-NZ 3.3Å; S87-K122 WeakPolarHBondContact OG-CD 3.23Å; I88-K122 VanDerWaalsContact CD1-O 3.3Å; I88-K122 WeakPolarHBondContact CD1-O 3.42Å; I88-K122 VanDerWaalsContact CG1-O 3.27Å; I88-K122 WeakPolarHBondContact CG1-O 3.48Å; K122-D124 WeakPolarHBondContact CA-OD1 3.3Å; K122-D124 PolarHBondContact O-N 2.83Å; K122-E125 HydrophobicContact CB-CB 4.48Å; K122-E125 HydrophobicContact CB-CG 4.22Å; K122-E125 WeakPolarHBondContact O-CB 3.44Å; K122-E125 PolarHBondContact O-N 2.88Å; K122-T150 PolarHBondContact N-O 2.8Å
123C98.4Very high97.3Very high18 Ų1839.8 Ų39.812%0.12222%0.223CC..G310 helixtrans-59.4-17178.471.50000113.5E125 S126 E149 T150 H156C123-E125 VanDerWaalsContact C-N 3.29Å; C123-E125 PolarHBondContact O-N 2.93Å; C123-S126 PolarHBondContact O-OG 2.81Å; C123-E149 HydrophobicContact CB-CB 4.06Å; C123-T150 PolarHBondContact N-O 3.45Å; C123-T150 PolarHBondContact SG-O 2.97Å; C123-T150 VanDerWaalsContact SG-O 3.33Å; C123-H156 PolarHBondContact SG-ND1 2.86Å
124D98.1Very high97.8Very high45 Ų4541.9 Ų41.924%0.24124%0.238CC..G310 helixtrans-67.9-21.8170.859.2-71.8000114.2K122 S126 S151 K153 L154K122-D124 WeakPolarHBondContact CA-OD1 3.3Å; K122-D124 PolarHBondContact O-N 2.83Å; D124-S126 PolarHBondContact O-N 2.82Å; D124-S126 VanDerWaalsContact O-N 3.16Å; D124-S151 VanDerWaalsContact CG-OG 3.22Å; D124-S151 WeakPolarHBondContact OD1-CB 3.46Å; D124-S151 PolarHBondContact OD1-OG 3.36Å; D124-K153 WeakPolarHBondContact OD2-CD 3.36Å; D124-L154 HydrophobicContact CB-CD1 3.54Å; D124-L154 HydrophobicContact CB-CG 3.87Å
125E97.5Very high98.1Very high71 Ų7144.4 Ų44.433%0.33225%0.25SC..G310 helixtrans-87.136.8176.8-61.5179.2-172.800112.1T89 K122 C123 P127 S128T89-E125 HydrophobicContact CG2-CB 3.56Å; T89-E125 VanDerWaalsContact CG2-OE2 3.29Å; T89-E125 WeakPolarHBondContact CG2-OE2 3.05Å; T89-E125 PolarHBondContact OG1-OE2 2.81Å; K122-E125 HydrophobicContact CB-CB 4.48Å; K122-E125 HydrophobicContact CB-CG 4.22Å; K122-E125 WeakPolarHBondContact O-CB 3.44Å; K122-E125 PolarHBondContact O-N 2.88Å; C123-E125 VanDerWaalsContact C-N 3.29Å; C123-E125 PolarHBondContact O-N 2.93Å; E125-P127 VanDerWaalsContact C-N 3.31Å; E125-P127 VanDerWaalsContact O-N 3.15Å; E125-S128 PolarHBondContact O-N 3Å
126S94.7Very high98.1Very high69 Ų6944.3 Ų44.348%0.48325%0.249SC..G310 helixtrans-50.8-37.1-177.1-73.30000115.2C123 D124 S128 R129C123-S126 PolarHBondContact O-OG 2.81Å; D124-S126 PolarHBondContact O-N 2.82Å; D124-S126 VanDerWaalsContact O-N 3.16Å; S126-S128 PolarHBondContact O-N 2.95Å; S126-R129 VanDerWaalsContact O-CB 3.26Å; S126-R129 WeakPolarHBondContact O-CB 3.33Å; S126-R129 PolarHBondContact O-N 3.43Å
127P97.4Very high98.1Very high128 Ų12847.7 Ų47.783%0.83127%0.265SS*.G310 helixtrans-61.8-22175.5-25.636.4000115.2E125E125-P127 VanDerWaalsContact C-N 3.31Å; E125-P127 VanDerWaalsContact O-N 3.15Å
128S97.6Very high98.1Very high77 Ų7750.1 Ų50.154%0.53829%0.285SS..G310 helixtrans-107.216.3-179.5-59.10000112.3T89 E125 S126 E130T89-S128 WeakPolarHBondContact CA-O 3.4Å; T89-S128 WeakPolarHBondContact CB-O 3.39Å; T89-S128 WeakPolarHBondContact CG2-O 3.5Å; E125-S128 PolarHBondContact O-N 3Å; S126-S128 PolarHBondContact O-N 2.95Å; S128-E130 PolarHBondContact O-N 3.08Å
129R98.5Very high98.1Very high53 Ų5352.3 Ų52.320%0.230%0.296CS..  trans-65.2125.8-177.4-180-179.9-72.1-89.510.1111.7I88 S126 V131 E149I88-R129 HydrophobicContact CD1-CB 4.16Å; I88-R129 HydrophobicContact CD1-CG 4.25Å; S126-R129 VanDerWaalsContact O-CB 3.26Å; S126-R129 WeakPolarHBondContact O-CB 3.33Å; S126-R129 PolarHBondContact O-N 3.43Å; R129-V131 VanDerWaalsContact CD-O 3.31Å; R129-V131 WeakPolarHBondContact CD-O 3.3Å; R129-V131 WeakPolarHBondContact CG-O 3.41Å; R129-V131 PolarHBondContact NH1-O 2.84Å; R129-E149 IonicContact CZ-OE1 3.46Å; R129-E149 IonicContact CZ-OE2 3.55Å; R129-E149 IonicContact NH1-OE1 3.48Å; R129-E149 PolarHBondContact NH1-OE1 3.49Å; R129-E149 IonicContact NH1-OE2 3.47Å; R129-E149 IonicContact NH2-OE1 2.74Å; R129-E149 PolarHBondContact NH2-OE1 3.31Å; R129-E149 IonicContact NH2-OE2 3.17Å; R129-E149 PolarHBondContact NH2-OE2 3.02Å
130E98.6Very high98.1Very high103 Ų10352.4 Ų52.448%0.48130%0.297SS..  trans-105.8-23.6173.1-63.5-173.9178.300113I88 S90 R91 S128I88-E130 PolarHBondContact O-N 3.28Å; S90-E130 VanDerWaalsContact CA-OE2 3.32Å; S90-E130 WeakPolarHBondContact CA-OE2 3.39Å; R91-E130 HydrophobicContact CB-CB 4.34Å; R91-E130 PolarHBondContact N-OE2 3.48Å; R91-E130 PolarHBondContact NH2-O 2.89Å; S128-E130 PolarHBondContact O-N 3.08Å
131V98.4Very high98Very high0 Ų060.9 Ų60.90%033%0.329CS..SBendtrans-115.2121-179.3-178.90000109.8Y86 I88 R91 L94 R129 A136Y86-V131 HydrophobicContact CD2-CG2 4.43Å; Y86-V131 HydrophobicContact CE2-CB 3.85Å; Y86-V131 HydrophobicContact CE2-CG1 3.75Å; Y86-V131 HydrophobicContact CE2-CG2 4.1Å; I88-V131 PolarHBondContact O-N 3.34Å; I88-V131 VanDerWaalsContact O-N 3.13Å; R91-V131 HydrophobicContact CB-CG2 4.16Å; L94-V131 HydrophobicContact CD2-CG1 3.79Å; L94-V131 HydrophobicContact CD2-CG2 4.33Å; R129-V131 VanDerWaalsContact CD-O 3.31Å; R129-V131 WeakPolarHBondContact CD-O 3.3Å; R129-V131 WeakPolarHBondContact CG-O 3.41Å; R129-V131 PolarHBondContact NH1-O 2.84Å; V131-A136 HydrophobicContact CG1-CB 4.18Å
132Q98.3Very high97.9Very high104 Ų10465.8 Ų65.849%0.48636%0.359SS..  trans-75.3144176.2-60.7-56.6-34.700110.7S134 E135 A136Q132-S134 PolarHBondContact O-N 2.83Å; Q132-E135 HydrophobicContact CB-CB 4.41Å; Q132-E135 WeakPolarHBondContact O-CB 3.46Å; Q132-E135 PolarHBondContact O-N 3.17Å; Q132-E135 VanDerWaalsContact O-N 3.07Å; Q132-A136 PolarHBondContact O-N 3.32Å
133S98Very high97.8Very high44 Ų4464.3 Ų64.331%0.30835%0.352SS..Hα-helixtrans-57-37.8178.8-177.30000112E135 A136 E137 F147 E149S133-E135 VanDerWaalsContact C-N 3.3Å; S133-E135 PolarHBondContact O-N 3.06Å; S133-A136 PolarHBondContact O-N 2.87Å; S133-E137 VanDerWaalsContact O-CB 3.32Å; S133-E137 WeakPolarHBondContact O-CB 3.5Å; S133-E137 PolarHBondContact O-N 3.26Å; S133-F147 WeakPolarHBondContact OG-CE1 3.49Å; S133-E149 WeakPolarHBondContact CB-OE1 3.37Å
134S98.1Very high97.7Very high86 Ų8669.8 Ų69.860%0.60137%0.374SS*.Hα-helixtrans-64.8-33.6178.752.30000113Q132 A138Q132-S134 PolarHBondContact O-N 2.83Å; S134-A138 VanDerWaalsContact O-CB 3.31Å; S134-A138 WeakPolarHBondContact O-CB 3.3Å; S134-A138 PolarHBondContact O-N 3.37Å
135E98Very high97.6Very high73 Ų7368.6 Ų68.634%0.34137%0.369SS..Hα-helixtrans-69.9-47.5177.6-172.3-168.9155.700111.1R91 Q132 S133 E137 A138 L139R91-E135 IonicContact CZ-OE1 3.61Å; R91-E135 IonicContact CZ-OE2 3.99Å; R91-E135 IonicContact NH1-OE1 3.71Å; R91-E135 PolarHBondContact NH1-OE1 3.39Å; R91-E135 IonicContact NH1-OE2 2.79Å; R91-E135 PolarHBondContact NH1-OE2 3.31Å; R91-E135 IonicContact NH2-OE1 2.73Å; R91-E135 PolarHBondContact NH2-OE1 2.95Å; R91-E135 IonicContact NH2-OE2 3.58Å; R91-E135 PolarHBondContact NH2-OE2 2.92Å; Q132-E135 HydrophobicContact CB-CB 4.41Å; Q132-E135 WeakPolarHBondContact O-CB 3.46Å; Q132-E135 PolarHBondContact O-N 3.17Å; Q132-E135 VanDerWaalsContact O-N 3.07Å; S133-E135 VanDerWaalsContact C-N 3.3Å; S133-E135 PolarHBondContact O-N 3.06Å; E135-E137 VanDerWaalsContact C-N 3.35Å; E135-A138 PolarHBondContact O-N 3.43Å; E135-L139 PolarHBondContact O-N 3Å
136A98.2Very high97.6Very high0 Ų066.4 Ų66.40%036%0.363CS..Hα-helixtrans-66.5-37.2177.500000112.1Y86 L118 V131 Q132 S133 L139 A140 F147Y86-A136 HydrophobicContact CE1-CB 4.11Å; Y86-A136 WeakPolarHBondContact OH-CB 3.48Å; L118-A136 HydrophobicContact CD2-CB 4.49Å; L118-A136 WeakPolarHBondContact CD2-O 3.46Å; V131-A136 HydrophobicContact CG1-CB 4.18Å; Q132-A136 PolarHBondContact O-N 3.32Å; S133-A136 PolarHBondContact O-N 2.87Å; A136-L139 PolarHBondContact O-N 2.85Å; A136-A140 PolarHBondContact O-N 3.24Å; A136-F147 HydrophobicContact CB-CD2 4.18Å; A136-F147 HydrophobicContact CB-CE2 3.47Å; A136-F147 VanDerWaalsContact CB-CE2 3.47Å; A136-F147 HydrophobicContact CB-CZ 3.79Å
137E98.4Very high97.8Very high74 Ų7465.2 Ų65.235%0.34635%0.349SS..Hα-helixtrans-65.3-40.9173.7-168-174.7162.800111.8S133 E135 L139 A140 R141 F147S133-E137 VanDerWaalsContact O-CB 3.32Å; S133-E137 WeakPolarHBondContact O-CB 3.5Å; S133-E137 PolarHBondContact O-N 3.26Å; E135-E137 VanDerWaalsContact C-N 3.35Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 2.96Å; E137-A140 PolarHBondContact O-N 2.98Å; E137-R141 WeakPolarHBondContact O-CG 3.49Å; E137-R141 PolarHBondContact O-N 3.32Å; E137-R141 IonicContact OE1-CZ 2.7Å; E137-R141 IonicContact OE1-NE 3.43Å; E137-R141 IonicContact OE1-NH2 2.58Å; E137-R141 PolarHBondContact OE1-NH2 2.96Å; E137-F147 HydrophobicContact CB-CD1 3.78Å; E137-F147 HydrophobicContact CB-CE1 4.05Å; E137-F147 HydrophobicContact CB-CG 4.41Å; E137-F147 HydrophobicContact CG-CD1 4.02Å
138A98.5Very high97.9Very high52 Ų5260.8 Ų60.843%0.4332%0.318SS..Hα-helixtrans-61.6-42.6174.300000111.5S134 E135 R141 T142S134-A138 VanDerWaalsContact O-CB 3.31Å; S134-A138 WeakPolarHBondContact O-CB 3.3Å; S134-A138 PolarHBondContact O-N 3.37Å; E135-A138 PolarHBondContact O-N 3.43Å; A138-R141 WeakPolarHBondContact O-CB 3.39Å; A138-R141 PolarHBondContact O-N 3.04Å; A138-T142 PolarHBondContact O-N 2.89Å; A138-T142 PolarHBondContact O-OG1 3.5Å
139L98.3Very high97.9Very high46 Ų4658.6 Ų58.624%0.24130%0.299CS..Hα-helixtrans-61.8-44.4174.8-176.865.7000111.9L94 L118 E135 A136 E137 R141 T142 W143L94-L139 HydrophobicContact CD1-CD2 3.76Å; L94-L139 HydrophobicContact CD2-CD2 4.13Å; L94-L139 HydrophobicContact CG-CD2 3.98Å; L118-L139 HydrophobicContact CD2-CD2 4.35Å; E135-L139 PolarHBondContact O-N 3Å; A136-L139 PolarHBondContact O-N 2.85Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 2.96Å; L139-R141 VanDerWaalsContact C-N 3.28Å; L139-R141 PolarHBondContact O-N 3.45Å; L139-T142 WeakPolarHBondContact O-CA 3.27Å; L139-T142 WeakPolarHBondContact O-CB 3.48Å; L139-T142 PolarHBondContact O-N 3.11Å; L139-T142 VanDerWaalsContact O-N 3.08Å; L139-W143 HydrophobicContact CD1-CD2 4.34Å; L139-W143 HydrophobicContact CD1-CZ2 4.04Å; L139-W143 HydrophobicContact CD2-CH2 4.05Å; L139-W143 HydrophobicContact CD2-CZ2 4Å; L139-W143 HydrophobicContact CD2-CZ3 4.41Å; L139-W143 HydrophobicContact CG-CD2 4.18Å; L139-W143 HydrophobicContact CG-CZ2 4.19Å; L139-W143 PolarHBondContact O-N 2.94Å
140A98.1Very high97.9Very high2 Ų256 Ų562%0.01729%0.289CS..Hα-helixtrans-59.9-38.217700000112.2L118 A136 E137 W143 K144 C145 F147L118-A140 HydrophobicContact CB-CB 4.36Å; L118-A140 HydrophobicContact CD2-CB 4.04Å; A136-A140 PolarHBondContact O-N 3.24Å; E137-A140 PolarHBondContact O-N 2.98Å; A140-W143 CarbonylContact O-C 3.38Å; A140-W143 PolarHBondContact O-N 3.47Å; A140-K144 PolarHBondContact O-N 2.84Å; A140-C145 PolarHBondContact O-N 3.49Å; A140-F147 HydrophobicContact CB-CB 3.64Å; A140-F147 HydrophobicContact CB-CG 4.45Å
141R97.2Very high97.9Very high179 Ų17951.1 Ų51.168%0.67527%0.267SS*.Hα-helixtrans-62.6-42.9172.4-68.5171.6-171.5-99.40.8111.8E137 A138 L139 W143 K144E137-R141 WeakPolarHBondContact O-CG 3.49Å; E137-R141 PolarHBondContact O-N 3.32Å; E137-R141 IonicContact OE1-CZ 2.7Å; E137-R141 IonicContact OE1-NE 3.43Å; E137-R141 IonicContact OE1-NH2 2.58Å; E137-R141 PolarHBondContact OE1-NH2 2.96Å; A138-R141 WeakPolarHBondContact O-CB 3.39Å; A138-R141 PolarHBondContact O-N 3.04Å; L139-R141 VanDerWaalsContact C-N 3.28Å; L139-R141 PolarHBondContact O-N 3.45Å; R141-W143 VanDerWaalsContact C-N 3.32Å; R141-W143 PolarHBondContact O-N 2.96Å; R141-K144 PolarHBondContact O-N 2.93Å; R141-K144 VanDerWaalsContact O-N 3.16Å
142T96.8Very high98Very high106 Ų10651.2 Ų51.265%0.6527%0.267SS*.Hα-helixtrans-62.2-39.6174.4-58.30000111.9A138 L139 K144A138-T142 PolarHBondContact O-N 2.89Å; A138-T142 PolarHBondContact O-OG1 3.5Å; L139-T142 WeakPolarHBondContact O-CA 3.27Å; L139-T142 WeakPolarHBondContact O-CB 3.48Å; L139-T142 PolarHBondContact O-N 3.11Å; L139-T142 VanDerWaalsContact O-N 3.08Å; T142-K144 VanDerWaalsContact C-N 3.25Å; T142-K144 PolarHBondContact O-N 2.73Å
143W96.7Very high97.9Very high21 Ų2150.9 Ų50.98%0.0826%0.264CS..THydrogen-bonded Turntrans-81.91.7176.2-713.2000113.9L84 L97 K98 Y101 L118 L139 A140 R141 C145L84-W143 HydrophobicContact CD1-CE3 4.32Å; L84-W143 HydrophobicContact CD1-CZ3 4Å; L97-W143 HydrophobicContact CB-CH2 3.81Å; L97-W143 HydrophobicContact CB-CZ3 4.11Å; K98-W143 HydrophobicContact CB-CH2 4.46Å; K98-W143 HydrophobicContact CB-CZ2 3.99Å; K98-W143 HydrophobicContact CG-CZ2 4.36Å; Y101-W143 AromaticContact CD1-CD1 3.89Å; Y101-W143 AromaticContact CD1-CD2 3.73Å; Y101-W143 HydrophobicContact CD1-CD2 3.73Å; Y101-W143 AromaticContact CD1-CE2 3.81Å; Y101-W143 HydrophobicContact CD1-CE3 4.29Å; Y101-W143 AromaticContact CD1-CG 3.82Å; Y101-W143 HydrophobicContact CD1-CG 3.82Å; Y101-W143 HydrophobicContact CD1-CZ2 4.44Å; Y101-W143 AromaticContact CD1-NE1 3.87Å; Y101-W143 HydrophobicContact CD2-CB 4.27Å; Y101-W143 AromaticContact CD2-CD2 3.98Å; Y101-W143 HydrophobicContact CD2-CD2 3.98Å; Y101-W143 AromaticContact CD2-CE3 3.84Å; Y101-W143 HydrophobicContact CD2-CE3 3.84Å; Y101-W143 HydrophobicContact CD2-CG 4.2Å; Y101-W143 HydrophobicContact CE1-CB 3.98Å; Y101-W143 AromaticContact CE1-CD1 3.63Å; Y101-W143 HydrophobicContact CE1-CD2 4.06Å; Y101-W143 AromaticContact CE1-CG 3.62Å; Y101-W143 HydrophobicContact CE1-CG 3.62Å; Y101-W143 HydrophobicContact CE2-CB 3.71Å; Y101-W143 HydrophobicContact CE2-CD2 4.3Å; Y101-W143 HydrophobicContact CE2-CE3 4.43Å; Y101-W143 HydrophobicContact CE2-CG 4.02Å; Y101-W143 AromaticContact CG-CD2 3.7Å; Y101-W143 HydrophobicContact CG-CD2 3.7Å; Y101-W143 AromaticContact CG-CE3 3.77Å; Y101-W143 HydrophobicContact CG-CE3 3.77Å; Y101-W143 HydrophobicContact CG-CG 4.12Å; Y101-W143 HydrophobicContact CG-CZ2 4.48Å; Y101-W143 HydrophobicContact CG-CZ3 4.2Å; Y101-W143 AromaticContact CZ-CG 3.75Å; Y101-W143 WeakPolarHBondContact OH-CA 3.32Å; Y101-W143 PolarHBondContact OH-O 3.08Å; L118-W143 HydrophobicContact CD1-CZ3 4.25Å; L139-W143 HydrophobicContact CD1-CD2 4.34Å; L139-W143 HydrophobicContact CD1-CZ2 4.04Å; L139-W143 HydrophobicContact CD2-CH2 4.05Å; L139-W143 HydrophobicContact CD2-CZ2 4Å; L139-W143 HydrophobicContact CD2-CZ3 4.41Å; L139-W143 HydrophobicContact CG-CD2 4.18Å; L139-W143 HydrophobicContact CG-CZ2 4.19Å; L139-W143 PolarHBondContact O-N 2.94Å; A140-W143 CarbonylContact O-C 3.38Å; A140-W143 PolarHBondContact O-N 3.47Å; R141-W143 VanDerWaalsContact C-N 3.32Å; R141-W143 PolarHBondContact O-N 2.96Å; W143-C145 PolarHBondContact O-N 2.88Å; W143-C145 VanDerWaalsContact O-N 3.08Å
144K95.6Very high97.9Very high133 Ų13354.4 Ų54.458%0.57828%0.279SS*.THydrogen-bonded Turntrans48.936.4-177.5-50.8-172.4-172.7-174.50113.1E112 A140 R141 T142E112-K144 HydrophobicContact CG-CD 3.87Å; E112-K144 WeakPolarHBondContact OE1-CD 3.29Å; E112-K144 WeakPolarHBondContact OE1-CE 3.37Å; E112-K144 IonicContact OE1-NZ 2.84Å; E112-K144 PolarHBondContact OE1-NZ 3.16Å; A140-K144 PolarHBondContact O-N 2.84Å; R141-K144 PolarHBondContact O-N 2.93Å; R141-K144 VanDerWaalsContact O-N 3.16Å; T142-K144 VanDerWaalsContact C-N 3.25Å; T142-K144 PolarHBondContact O-N 2.73Å
145C96.9Very high97.9Very high19 Ų1954.4 Ų54.413%0.12827%0.272CS..  trans-116.7164.3178.769.80000110.8I116 A140 W143I116-C145 HydrophobicContact CB-CB 3.75Å; I116-C145 HydrophobicContact CG2-CB 3.75Å; I116-C145 WeakPolarHBondContact O-CB 3.05Å; A140-C145 PolarHBondContact O-N 3.49Å; W143-C145 PolarHBondContact O-N 2.88Å; W143-C145 VanDerWaalsContact O-N 3.08Å
146A97.8Very high98Very high25 Ų2555.1 Ų55.121%0.20728%0.275CS..EExtended strand (participates in β ladder)trans-77.8159.4175.100000110.8I116 M117 L118 L168I116-A146 PolarHBondContact O-N 3Å; M117-A146 HydrophobicContact CE-CB 3.56Å; M117-A146 HydrophobicContact SD-CB 3.46Å; M117-A146 WeakPolarHBondContact SD-CB 3.43Å; L118-A146 PolarHBondContact N-O 2.79Å; A146-L168 HydrophobicContact CB-CD1 3.66Å
147F98.6Very high98Very high44 Ų4457.2 Ų57.219%0.19329%0.287CS..EExtended strand (participates in β ladder)trans-134.2141.8-179.8171-108000111.6Y86 L118 S133 A136 E137 A140 E149Y86-F147 HydrophobicContact CE1-CE2 4.35Å; L118-F147 HydrophobicContact CB-CD2 4.33Å; L118-F147 HydrophobicContact CD2-CD2 4.19Å; L118-F147 HydrophobicContact CG-CD2 4.17Å; L118-F147 WeakPolarHBondContact O-CA 3.45Å; L118-F147 WeakPolarHBondContact O-CD2 3.15Å; S133-F147 WeakPolarHBondContact OG-CE1 3.49Å; A136-F147 HydrophobicContact CB-CD2 4.18Å; A136-F147 HydrophobicContact CB-CE2 3.47Å; A136-F147 VanDerWaalsContact CB-CE2 3.47Å; A136-F147 HydrophobicContact CB-CZ 3.79Å; E137-F147 HydrophobicContact CB-CD1 3.78Å; E137-F147 HydrophobicContact CB-CE1 4.05Å; E137-F147 HydrophobicContact CB-CG 4.41Å; E137-F147 HydrophobicContact CG-CD1 4.02Å; A140-F147 HydrophobicContact CB-CB 3.64Å; A140-F147 HydrophobicContact CB-CG 4.45Å; F147-E149 HydrophobicContact CE1-CG 4.29Å; F147-E149 HydrophobicContact CE2-CG 4.45Å; F147-E149 HydrophobicContact CZ-CG 3.68Å
148M98.6Very high98Very high35 Ų3553.7 Ų53.717%0.17227%0.27CS..EExtended strand (participates in β ladder)trans-154.1143.6172.6-172.8176.2-70.200111.4M117 L118 V119 G120 T150 N157 E160 L161 E164M117-M148 HydrophobicContact SD-CB 4.21Å; L118-M148 PolarHBondContact O-N 3.27Å; L118-M148 VanDerWaalsContact O-N 3.1Å; V119-M148 WeakPolarHBondContact CA-O 3.5Å; G120-M148 PolarHBondContact N-O 2.7Å; M148-T150 HydrophobicContact CG-CG2 4.34Å; M148-T150 HydrophobicContact SD-CG2 4.46Å; M148-N157 HydrophobicContact CG-CB 4.13Å; M148-N157 HydrophobicContact SD-CB 3.67Å; M148-E160 HydrophobicContact CE-CB 4.19Å; M148-E160 HydrophobicContact SD-CB 4.14Å; M148-L161 HydrophobicContact SD-CB 4.19Å; M148-E164 HydrophobicContact CE-CB 4.34Å
149E98.8Very high97.9Very high31 Ų3157 Ų5715%0.14528%0.275CS..EExtended strand (participates in β ladder)trans-92.4141.5165.8-66.2-159.1159.300111.5G120 C123 R129 S133 F147 N157G120-E149 CarbonylContact O-C 3.54Å; G120-E149 VanDerWaalsContact O-CA 3.25Å; G120-E149 WeakPolarHBondContact O-CA 3.23Å; C123-E149 HydrophobicContact CB-CB 4.06Å; R129-E149 IonicContact CZ-OE1 3.46Å; R129-E149 IonicContact CZ-OE2 3.55Å; R129-E149 IonicContact NH1-OE1 3.48Å; R129-E149 PolarHBondContact NH1-OE1 3.49Å; R129-E149 IonicContact NH1-OE2 3.47Å; R129-E149 IonicContact NH2-OE1 2.74Å; R129-E149 PolarHBondContact NH2-OE1 3.31Å; R129-E149 IonicContact NH2-OE2 3.17Å; R129-E149 PolarHBondContact NH2-OE2 3.02Å; S133-E149 WeakPolarHBondContact CB-OE1 3.37Å; F147-E149 HydrophobicContact CE1-CG 4.29Å; F147-E149 HydrophobicContact CE2-CG 4.45Å; F147-E149 HydrophobicContact CZ-CG 3.68Å; E149-N157 WeakPolarHBondContact O-CB 3.38Å; E149-N157 PolarHBondContact O-ND2 3.28Å
150T98.9Very high97.9Very high0 Ų059.3 Ų59.30%028%0.284CS..EExtended strand (participates in β ladder)trans-135.7158-17659.70000112.1L23 V119 G120 N121 K122 C123 M148 H156 N157 L161L23-T150 HydrophobicContact CD2-CG2 4.5Å; V119-T150 HydrophobicContact CG1-CG2 3.75Å; V119-T150 WeakPolarHBondContact CG1-OG1 3.48Å; G120-T150 PolarHBondContact O-N 3.4Å; N121-T150 CarbonylContact C-O 3.56Å; N121-T150 WeakPolarHBondContact CA-O 3.37Å; N121-T150 PolarHBondContact OD1-O 3.03Å; N121-T150 PolarHBondContact OD1-OG1 3.25Å; K122-T150 PolarHBondContact N-O 2.8Å; C123-T150 PolarHBondContact N-O 3.45Å; C123-T150 PolarHBondContact SG-O 2.97Å; C123-T150 VanDerWaalsContact SG-O 3.33Å; M148-T150 HydrophobicContact CG-CG2 4.34Å; M148-T150 HydrophobicContact SD-CG2 4.46Å; T150-H156 WeakPolarHBondContact CA-O 3.41Å; T150-N157 HydrophobicContact CG2-CB 3.91Å; T150-L161 HydrophobicContact CG2-CB 4.32Å; T150-L161 HydrophobicContact CG2-CD2 4.28Å
151S98.6Very high97.9Very high0 Ų059.2 Ų59.20%028%0.284CS..BIsolated β-bridgetrans-133.2107.4162.9173.80000109.4D124 K153 L154 N155 H156D124-S151 VanDerWaalsContact CG-OG 3.22Å; D124-S151 WeakPolarHBondContact OD1-CB 3.46Å; D124-S151 PolarHBondContact OD1-OG 3.36Å; S151-K153 PolarHBondContact O-N 2.92Å; S151-K153 PolarHBondContact OG-N 3.35Å; S151-L154 PolarHBondContact O-N 3.08Å; S151-L154 PolarHBondContact OG-N 3.16Å; S151-N155 CarbonylContact O-C 3.41Å; S151-N155 WeakPolarHBondContact O-CA 3.49Å; S151-N155 PolarHBondContact O-N 3.45Å; S151-H156 PolarHBondContact N-O 3.27Å; S151-H156 PolarHBondContact O-N 3.49Å
152A98.5Very high97.9Very high2 Ų250.8 Ų50.82%0.01725%0.252CS..THydrogen-bonded Turntrans-59.2-32.7170.800000112.4L23 R26 F32 N121L23-A152 HydrophobicContact CD2-CB 3.96Å; L23-A152 HydrophobicContact CG-CB 4.18Å; R26-A152 PolarHBondContact NE-O 3.06Å; F32-A152 HydrophobicContact CD2-CB 4.04Å; F32-A152 WeakPolarHBondContact CD2-O 3.23Å; F32-A152 HydrophobicContact CE2-CB 4.04Å; N121-A152 PolarHBondContact OD1-N 3.02Å
153K98Very high97.9Very high97 Ų9747.8 Ų47.842%0.42223%0.23SC..THydrogen-bonded Turntrans-64.2-56.1179.1-176.7174.6178.91790110.7R26 F32 D124 S151 N155R26-K153 PolarHBondContact NH2-O 2.96Å; R26-K153 VanDerWaalsContact NH2-O 3.09Å; F32-K153 HydrophobicContact CD1-CB 4.49Å; F32-K153 HydrophobicContact CD1-CG 4.36Å; F32-K153 HydrophobicContact CD2-CB 4.48Å; F32-K153 HydrophobicContact CE1-CB 3.89Å; F32-K153 HydrophobicContact CE1-CD 4.35Å; F32-K153 HydrophobicContact CE1-CG 3.74Å; F32-K153 HydrophobicContact CE2-CB 3.88Å; F32-K153 HydrophobicContact CZ-CB 3.56Å; F32-K153 HydrophobicContact CZ-CD 4.41Å; F32-K153 HydrophobicContact CZ-CG 3.9Å; D124-K153 WeakPolarHBondContact OD2-CD 3.36Å; S151-K153 PolarHBondContact O-N 2.92Å; S151-K153 PolarHBondContact OG-N 3.35Å; K153-N155 PolarHBondContact O-N 2.96Å
154L98Very high97.9Very high117 Ų11750.5 Ų50.561%0.61324%0.244SC*.THydrogen-bonded Turntrans-80.8-2-179.2-57.6-173.2000113.8D124 S151 H156D124-L154 HydrophobicContact CB-CD1 3.54Å; D124-L154 HydrophobicContact CB-CG 3.87Å; S151-L154 PolarHBondContact O-N 3.08Å; S151-L154 PolarHBondContact OG-N 3.16Å; L154-H156 HydrophobicContact CB-CB 4.36Å; L154-H156 PolarHBondContact O-N 2.88Å
155N98.2Very high98Very high87 Ų8744.2 Ų44.247%0.46522%0.217SC..THydrogen-bonded Turntrans55.531.9-170.4-16743.7000112.7R26 S151 K153R26-N155 VanDerWaalsContact CD-OD1 3.29Å; R26-N155 WeakPolarHBondContact CD-OD1 3.49Å; R26-N155 HydrophobicContact CG-CB 4.28Å; R26-N155 WeakPolarHBondContact CG-OD1 3.44Å; S151-N155 CarbonylContact O-C 3.41Å; S151-N155 WeakPolarHBondContact O-CA 3.49Å; S151-N155 PolarHBondContact O-N 3.45Å; K153-N155 PolarHBondContact O-N 2.96Å
156H98.6Very high97.9Very high87 Ų8743.5 Ų43.540%0.40321%0.212SC..BIsolated β-bridgetrans-85.4126.5179.3177.5-109.6000109.9C123 T150 S151 L154 V158C123-H156 PolarHBondContact SG-ND1 2.86Å; T150-H156 WeakPolarHBondContact CA-O 3.41Å; S151-H156 PolarHBondContact N-O 3.27Å; S151-H156 PolarHBondContact O-N 3.49Å; L154-H156 HydrophobicContact CB-CB 4.36Å; L154-H156 PolarHBondContact O-N 2.88Å; H156-V158 PolarHBondContact O-N 2.58Å; H156-V158 VanDerWaalsContact O-N 3.07Å
157N98.5Very high97.7Very high45 Ų4546.5 Ų46.524%0.24122%0.224CC..SBendtrans58.812.5179.3-76.2-13.9000115.8M148 E149 T150 E160 L161M148-N157 HydrophobicContact CG-CB 4.13Å; M148-N157 HydrophobicContact SD-CB 3.67Å; E149-N157 WeakPolarHBondContact O-CB 3.38Å; E149-N157 PolarHBondContact O-ND2 3.28Å; T150-N157 HydrophobicContact CG2-CB 3.91Å; N157-E160 VanDerWaalsContact C-OE2 3.29Å; N157-E160 WeakPolarHBondContact CA-OE2 3.14Å; N157-L161 VanDerWaalsContact O-CB 3.24Å; N157-L161 WeakPolarHBondContact O-CB 3.43Å; N157-L161 PolarHBondContact O-N 3.36Å
158V98.5Very high97.6Very high0 Ų047 Ų470%023%0.229CC..Hα-helixtrans-69.9-44.3-176.3178.70000111.1L23 R26 F27 H156 F162L23-V158 HydrophobicContact CD2-CG2 3.98Å; R26-V158 HydrophobicContact CB-CG1 4.11Å; R26-V158 HydrophobicContact CG-CB 4.21Å; R26-V158 HydrophobicContact CG-CG1 3.87Å; R26-V158 HydrophobicContact CG-CG2 3.97Å; F27-V158 HydrophobicContact CB-CG1 3.84Å; H156-V158 PolarHBondContact O-N 2.58Å; H156-V158 VanDerWaalsContact O-N 3.07Å; V158-F162 VanDerWaalsContact O-CD2 3.24Å; V158-F162 WeakPolarHBondContact O-CD2 3.47Å
159K97.1Very high97.3Very high120 Ų12046 Ų4652%0.52222%0.223SC..Hα-helixtrans-73-39.1178.4-177.1-179.1175.6-175.50110.9L161 F162 Q163 L176K159-L161 VanDerWaalsContact C-N 3.32Å; K159-L161 PolarHBondContact O-N 2.94Å; K159-F162 PolarHBondContact O-N 2.67Å; K159-Q163 WeakPolarHBondContact O-CB 3.31Å; K159-Q163 PolarHBondContact O-N 3.18Å; K159-L176 HydrophobicContact CG-CD1 4.13Å
160E98Very high96.9Very high95 Ų9552 Ų5244%0.44425%0.249SC..Hα-helixtrans-60.1-42.1178.9-66.269.1-156.300110.6M148 N157 F162 Q163 E164M148-E160 HydrophobicContact CE-CB 4.19Å; M148-E160 HydrophobicContact SD-CB 4.14Å; N157-E160 VanDerWaalsContact C-OE2 3.29Å; N157-E160 WeakPolarHBondContact CA-OE2 3.14Å; E160-F162 PolarHBondContact O-N 2.79Å; E160-Q163 PolarHBondContact O-N 3.15Å; E160-E164 VanDerWaalsContact O-CB 3.27Å; E160-E164 WeakPolarHBondContact O-CB 3.31Å; E160-E164 PolarHBondContact O-N 2.89Å
161L98.6Very high96.2Very high1 Ų159 Ų591%0.00528%0.276CS..Hα-helixtrans-51.7-55.6172.5164.959000112.1L23 I83 M117 V119 M148 T150 N157 K159 E164 L165L23-L161 HydrophobicContact CD1-CD2 4.35Å; I83-L161 HydrophobicContact CD1-CD1 4.29Å; I83-L161 HydrophobicContact CD1-CD2 4.35Å; I83-L161 HydrophobicContact CD1-CG 4.3Å; I83-L161 HydrophobicContact CG2-CD1 4.38Å; I83-L161 HydrophobicContact CG2-CD2 4.45Å; M117-L161 HydrophobicContact CB-CD1 4.14Å; M117-L161 HydrophobicContact CG-CD1 3.47Å; M117-L161 VanDerWaalsContact CG-CD1 3.47Å; V119-L161 HydrophobicContact CG1-CD2 4.32Å; V119-L161 HydrophobicContact CG2-CD1 3.47Å; V119-L161 VanDerWaalsContact CG2-CD1 3.47Å; V119-L161 HydrophobicContact CG2-CD2 4.07Å; V119-L161 HydrophobicContact CG2-CG 4.43Å; M148-L161 HydrophobicContact SD-CB 4.19Å; T150-L161 HydrophobicContact CG2-CB 4.32Å; T150-L161 HydrophobicContact CG2-CD2 4.28Å; N157-L161 VanDerWaalsContact O-CB 3.24Å; N157-L161 WeakPolarHBondContact O-CB 3.43Å; N157-L161 PolarHBondContact O-N 3.36Å; K159-L161 VanDerWaalsContact C-N 3.32Å; K159-L161 PolarHBondContact O-N 2.94Å; L161-E164 PolarHBondContact O-N 3.29Å; L161-L165 WeakPolarHBondContact O-CB 3.26Å; L161-L165 PolarHBondContact O-N 3.25Å
162F97.3Very high95.7Very high2 Ų263.4 Ų63.41%0.00929%0.292CS..Hα-helixtrans-70.2-35.9-178.2-71.5-83.7000111.8F27 I59 I83 V158 K159 E160 L166 L176F27-F162 HydrophobicContact CB-CD2 3.66Å; F27-F162 HydrophobicContact CB-CE2 3.35Å; F27-F162 HydrophobicContact CB-CZ 4.11Å; F27-F162 HydrophobicContact CD1-CD1 4.06Å; F27-F162 AromaticContact CD1-CD2 3.68Å; F27-F162 HydrophobicContact CD1-CD2 3.68Å; F27-F162 HydrophobicContact CD1-CE1 4.12Å; F27-F162 AromaticContact CD1-CE2 3.77Å; F27-F162 HydrophobicContact CD1-CE2 3.77Å; F27-F162 AromaticContact CD1-CG 3.85Å; F27-F162 HydrophobicContact CD1-CG 3.85Å; F27-F162 AromaticContact CD1-CZ 3.99Å; F27-F162 HydrophobicContact CD1-CZ 3.99Å; F27-F162 HydrophobicContact CD2-CB 4.08Å; F27-F162 AromaticContact CD2-CD2 3.37Å; F27-F162 HydrophobicContact CD2-CD2 3.37Å; F27-F162 HydrophobicContact CD2-CE2 4.03Å; F27-F162 AromaticContact CD2-CG 3.87Å; F27-F162 HydrophobicContact CD2-CG 3.87Å; F27-F162 HydrophobicContact CE1-CB 4.29Å; F27-F162 HydrophobicContact CE1-CD1 4.07Å; F27-F162 HydrophobicContact CE1-CD2 4.19Å; F27-F162 HydrophobicContact CE1-CE1 4.49Å; F27-F162 AromaticContact CE1-CG 3.91Å; F27-F162 HydrophobicContact CE1-CG 3.91Å; F27-F162 HydrophobicContact CE2-CB 3.7Å; F27-F162 AromaticContact CE2-CD2 3.9Å; F27-F162 HydrophobicContact CE2-CD2 3.9Å; F27-F162 AromaticContact CE2-CG 3.91Å; F27-F162 HydrophobicContact CE2-CG 3.91Å; F27-F162 HydrophobicContact CG-CD1 4.47Å; F27-F162 AromaticContact CG-CD2 3.25Å; F27-F162 HydrophobicContact CG-CD2 3.25Å; F27-F162 AromaticContact CG-CE2 3.43Å; F27-F162 HydrophobicContact CG-CE2 3.43Å; F27-F162 VanDerWaalsContact CG-CE2 3.43Å; F27-F162 AromaticContact CG-CG 3.84Å; F27-F162 HydrophobicContact CG-CG 3.84Å; F27-F162 HydrophobicContact CG-CZ 4.12Å; F27-F162 HydrophobicContact CZ-CB 3.82Å; F27-F162 HydrophobicContact CZ-CD1 4.45Å; F27-F162 HydrophobicContact CZ-CD2 4.29Å; F27-F162 AromaticContact CZ-CG 3.94Å; F27-F162 HydrophobicContact CZ-CG 3.94Å; I59-F162 HydrophobicContact CD1-CD1 4.02Å; I59-F162 HydrophobicContact CD1-CE1 3.54Å; I59-F162 HydrophobicContact CD1-CZ 4.16Å; I59-F162 HydrophobicContact CG1-CE1 4.25Å; I59-F162 HydrophobicContact CG2-CE1 4.18Å; I83-F162 HydrophobicContact CD1-CD1 4.16Å; I83-F162 HydrophobicContact CD1-CE1 3.68Å; I83-F162 HydrophobicContact CD1-CZ 4.08Å; V158-F162 VanDerWaalsContact O-CD2 3.24Å; V158-F162 WeakPolarHBondContact O-CD2 3.47Å; K159-F162 PolarHBondContact O-N 2.67Å; E160-F162 PolarHBondContact O-N 2.79Å; F162-L166 VanDerWaalsContact O-CG 3.24Å; F162-L166 WeakPolarHBondContact O-CG 3.38Å; F162-L166 PolarHBondContact O-N 2.96Å; F162-L166 VanDerWaalsContact O-N 3.17Å; F162-L176 HydrophobicContact CB-CD1 4.3Å
163Q96Very high95.2Very high42 Ų4268.3 Ų68.320%0.19632%0.322CS..Hα-helixtrans-63.6-45.2175.8-175.858.368.200111.4K159 E160 L166 N167 L176K159-Q163 WeakPolarHBondContact O-CB 3.31Å; K159-Q163 PolarHBondContact O-N 3.18Å; E160-Q163 PolarHBondContact O-N 3.15Å; Q163-L166 PolarHBondContact O-N 2.95Å; Q163-N167 PolarHBondContact NE2-OD1 3.24Å; Q163-N167 PolarHBondContact O-N 3.11Å; Q163-N167 PolarHBondContact O-ND2 3.09Å; Q163-N167 PolarHBondContact O-OD1 2.93Å; Q163-L176 HydrophobicContact CB-CD1 3.99Å
164E96.8Very high94.7Very high79 Ų7964 Ų6437%0.36930%0.304SS..Hα-helixtrans-69.2-40.7-178.4-170.559.9-167.200111.6M117 M148 E160 L161 L166 N167 L168M117-E164 HydrophobicContact CE-CB 3.9Å; M117-E164 HydrophobicContact CE-CG 3.68Å; M148-E164 HydrophobicContact CE-CB 4.34Å; E160-E164 VanDerWaalsContact O-CB 3.27Å; E160-E164 WeakPolarHBondContact O-CB 3.31Å; E160-E164 PolarHBondContact O-N 2.89Å; L161-E164 PolarHBondContact O-N 3.29Å; E164-L166 PolarHBondContact O-N 3.16Å; E164-N167 WeakPolarHBondContact O-CB 3.43Å; E164-N167 PolarHBondContact O-N 3.05Å; E164-N167 VanDerWaalsContact O-N 3.07Å; E164-N167 PolarHBondContact OE2-ND2 3.17Å; E164-N167 VanDerWaalsContact OE2-ND2 3.09Å; E164-L168 WeakPolarHBondContact O-CG 3.46Å; E164-L168 PolarHBondContact O-N 3.22Å; E164-L168 VanDerWaalsContact O-N 3.11Å
165L97.3Very high94.2Very high1 Ų159.9 Ų59.91%0.00529%0.285CS..Hα-helixtrans-56.7-41.1172.9-172.675.6000111.9V10 A81 I83 P115 M117 L161 L168V10-L165 HydrophobicContact CB-CD2 4.43Å; V10-L165 HydrophobicContact CG1-CD2 3.65Å; V10-L165 HydrophobicContact CG2-CD2 3.85Å; A81-L165 HydrophobicContact CB-CD1 4.22Å; A81-L165 HydrophobicContact CB-CD2 3.96Å; A81-L165 HydrophobicContact CB-CG 4.04Å; I83-L165 HydrophobicContact CD1-CD2 3.88Å; I83-L165 HydrophobicContact CG1-CD1 4.44Å; I83-L165 HydrophobicContact CG1-CD2 3.62Å; P115-L165 HydrophobicContact CB-CD1 3.9Å; P115-L165 HydrophobicContact CB-CG 4.29Å; P115-L165 WeakPolarHBondContact CB-O 3.36Å; M117-L165 HydrophobicContact CB-CD1 3.88Å; L161-L165 WeakPolarHBondContact O-CB 3.26Å; L161-L165 PolarHBondContact O-N 3.25Å; L165-L168 PolarHBondContact O-N 3.22Å
166L95.3Very high93.8Very high3 Ų357.2 Ų57.22%0.01627%0.271CS..Hα-helixtrans-70.5-34.1176.7-65.8178.5000112.5Y8 I48 L57 F162 Q163 E164 L168 E169 V174 L176Y8-L166 HydrophobicContact CD1-CD2 3.57Å; Y8-L166 HydrophobicContact CE1-CD2 3.56Å; Y8-L166 HydrophobicContact CG-CD2 4.49Å; I48-L166 HydrophobicContact CD1-CD1 4.39Å; L57-L166 HydrophobicContact CD1-CD2 4.22Å; F162-L166 VanDerWaalsContact O-CG 3.24Å; F162-L166 WeakPolarHBondContact O-CG 3.38Å; F162-L166 PolarHBondContact O-N 2.96Å; F162-L166 VanDerWaalsContact O-N 3.17Å; Q163-L166 PolarHBondContact O-N 2.95Å; E164-L166 PolarHBondContact O-N 3.16Å; L166-L168 PolarHBondContact O-N 2.93Å; L166-E169 WeakPolarHBondContact O-CB 3.36Å; L166-E169 PolarHBondContact O-N 2.92Å; L166-V174 HydrophobicContact CB-CB 4.39Å; L166-V174 HydrophobicContact CB-CG1 4.42Å; L166-V174 HydrophobicContact CD1-CG1 4.15Å; L166-V174 HydrophobicContact CD2-CB 4.28Å; L166-V174 HydrophobicContact CD2-CG1 3.68Å; L166-V174 HydrophobicContact CG-CG1 4.28Å; L166-L176 HydrophobicContact CD1-CD2 3.54Å; L166-L176 HydrophobicContact CD1-CG 3.95Å
167N94.4Very high93Very high89 Ų8959.4 Ų59.448%0.47628%0.281SS..Hα-helixtrans-64.8-27.1175.9-66.2-18.5000112.8Q163 E164 E169Q163-N167 PolarHBondContact NE2-OD1 3.24Å; Q163-N167 PolarHBondContact O-N 3.11Å; Q163-N167 PolarHBondContact O-ND2 3.09Å; Q163-N167 PolarHBondContact O-OD1 2.93Å; E164-N167 WeakPolarHBondContact O-CB 3.43Å; E164-N167 PolarHBondContact O-N 3.05Å; E164-N167 VanDerWaalsContact O-N 3.07Å; E164-N167 PolarHBondContact OE2-ND2 3.17Å; E164-N167 VanDerWaalsContact OE2-ND2 3.09Å; N167-E169 VanDerWaalsContact C-N 3.26Å; N167-E169 PolarHBondContact O-N 3.3Å
168L95.1Very high92Very high54 Ų5461.2 Ų61.228%0.28329%0.29SS..THydrogen-bonded Turntrans-72.9-15.6176.7-66.5171.4000113.1P115 M117 A146 E164 L165 L166 K170P115-L168 HydrophobicContact CB-CB 3.79Å; P115-L168 HydrophobicContact CG-CB 4.02Å; M117-L168 HydrophobicContact CE-CD1 4.27Å; A146-L168 HydrophobicContact CB-CD1 3.66Å; E164-L168 WeakPolarHBondContact O-CG 3.46Å; E164-L168 PolarHBondContact O-N 3.22Å; E164-L168 VanDerWaalsContact O-N 3.11Å; L165-L168 PolarHBondContact O-N 3.22Å; L166-L168 PolarHBondContact O-N 2.93Å; L168-K170 PolarHBondContact O-N 3.22Å
169E93.8Very high90.2Very high13 Ų1367.4 Ų67.46%0.06132%0.323CS..  trans-70.1117.2179.1179.757.1-108.800110.7Y8 P115 L166 N167 R171 R172 V174Y8-E169 HydrophobicContact CE2-CB 4.4Å; Y8-E169 HydrophobicContact CE2-CG 3.8Å; Y8-E169 WeakPolarHBondContact CE2-OE2 3.39Å; Y8-E169 PolarHBondContact OH-OE2 3.44Å; P115-E169 HydrophobicContact CG-CB 4.04Å; L166-E169 WeakPolarHBondContact O-CB 3.36Å; L166-E169 PolarHBondContact O-N 2.92Å; N167-E169 VanDerWaalsContact C-N 3.26Å; N167-E169 PolarHBondContact O-N 3.3Å; E169-R171 VanDerWaalsContact OE1-CB 3.24Å; E169-R171 WeakPolarHBondContact OE1-CB 3.49Å; E169-R171 WeakPolarHBondContact OE1-CG 3.32Å; E169-R171 IonicContact OE1-CZ 3.8Å; E169-R171 PolarHBondContact OE1-N 3.07Å; E169-R171 IonicContact OE1-NE 3.78Å; E169-R171 PolarHBondContact OE1-NE 3.24Å; E169-R171 IonicContact OE1-NH2 3.51Å; E169-R171 IonicContact OE2-CZ 3.74Å; E169-R171 IonicContact OE2-NE 3.27Å; E169-R171 IonicContact OE2-NH2 2.94Å; E169-R171 PolarHBondContact OE2-NH2 2.98Å; E169-R172 HydrophobicContact CG-CB 4.42Å; E169-V174 HydrophobicContact CG-CG2 4.24Å
170K88.9Confident87.9Confident159 Ų15963.7 Ų63.769%0.69132%0.319SS*.SBendtrans-91.8-20.5-176-64.1173.1-175.4164.60113.2E112 L168E112-K170 PolarHBondContact O-NZ 3.43Å; L168-K170 PolarHBondContact O-N 3.22Å
171R85.8Confident85.3Confident147 Ų14768.1 Ų68.156%0.55534%0.337SS*.SBendtrans-88.2-20.5-172.4-60.1168.5-66.3-178.2-3.2113.3E169E169-R171 VanDerWaalsContact OE1-CB 3.24Å; E169-R171 WeakPolarHBondContact OE1-CB 3.49Å; E169-R171 WeakPolarHBondContact OE1-CG 3.32Å; E169-R171 IonicContact OE1-CZ 3.8Å; E169-R171 PolarHBondContact OE1-N 3.07Å; E169-R171 IonicContact OE1-NE 3.78Å; E169-R171 PolarHBondContact OE1-NE 3.24Å; E169-R171 IonicContact OE1-NH2 3.51Å; E169-R171 IonicContact OE2-CZ 3.74Å; E169-R171 IonicContact OE2-NE 3.27Å; E169-R171 IonicContact OE2-NH2 2.94Å; E169-R171 PolarHBondContact OE2-NH2 2.98Å
172R86.5Confident82.5Confident91 Ų9176.5 Ų76.534%0.34337%0.373SS..SBendtrans-146.4144.1-176-58.5-176.6-173.9-168.9-4.5109.3N6 D51 E169 V174N6-R172 PolarHBondContact OD1-NH1 3.45Å; D51-R172 WeakPolarHBondContact OD1-CA 3.24Å; D51-R172 WeakPolarHBondContact OD2-CB 3.45Å; E169-R172 HydrophobicContact CG-CB 4.42Å; R172-V174 HydrophobicContact CB-CG2 3.88Å; R172-V174 PolarHBondContact O-N 3.3Å
173T87.6Confident80Confident106 Ų10680.2 Ų80.265%0.6540%0.399SS*.  trans-81.5105.6172.2-57.70000108.8C50 D51C50-T173 CarbonylContact C-O 3.5Å; C50-T173 VanDerWaalsContact CA-O 3.24Å; C50-T173 WeakPolarHBondContact CA-O 3.41Å; D51-T173 PolarHBondContact N-O 2.85Å; D51-T173 PolarHBondContact OD1-N 2.87Å
174V88.2Confident77.5Confident7 Ų786.7 Ų86.74%0.04243%0.427CS..EExtended strand (participates in β ladder)trans-117.1134.4-176.4-166.20000110.2Y8 I48 S49 L166 E169 R172Y8-V174 HydrophobicContact CD2-CG2 4.24Å; Y8-V174 HydrophobicContact CE2-CG2 4.38Å; Y8-V174 HydrophobicContact CG-CG1 4.5Å; I48-V174 HydrophobicContact CD1-CG1 3.25Å; I48-V174 HydrophobicContact CG1-CG1 4.46Å; S49-V174 CarbonylContact O-C 3.41Å; S49-V174 WeakPolarHBondContact O-CA 3.06Å; L166-V174 HydrophobicContact CB-CB 4.39Å; L166-V174 HydrophobicContact CB-CG1 4.42Å; L166-V174 HydrophobicContact CD1-CG1 4.15Å; L166-V174 HydrophobicContact CD2-CB 4.28Å; L166-V174 HydrophobicContact CD2-CG1 3.68Å; L166-V174 HydrophobicContact CG-CG1 4.28Å; E169-V174 HydrophobicContact CG-CG2 4.24Å; R172-V174 HydrophobicContact CB-CG2 3.88Å; R172-V174 PolarHBondContact O-N 3.3Å
175S88Confident75.1Confident30 Ų3090.1 Ų90.121%0.2144%0.443CS..EExtended strand (participates in β ladder)trans-150.5150.5179.381.40000113.7I48 S49 Q177I48-S175 WeakPolarHBondContact CB-O 3.38Å; S49-S175 WeakPolarHBondContact CB-OG 3.48Å; S49-S175 PolarHBondContact N-O 2.81Å; S49-S175 PolarHBondContact O-N 3.4Å; S175-Q177 PolarHBondContact O-N 3.13Å; S175-Q177 PolarHBondContact OG-O 3.08Å; S175-Q177 VanDerWaalsContact OG-O 3.06Å
176L88.8Confident72.8Confident31 Ų3196.4 Ų96.416%0.16247%0.472CS..SBendtrans-70.3-19.3175.6-61.7-178000113.1F27 I48 L57 K159 F162 Q163 L166F27-L176 HydrophobicContact CE2-CD1 3.77Å; F27-L176 HydrophobicContact CE2-CD2 4.2Å; F27-L176 HydrophobicContact CZ-CD1 4.09Å; F27-L176 HydrophobicContact CZ-CD2 3.63Å; I48-L176 HydrophobicContact CG2-CD2 3.9Å; L57-L176 HydrophobicContact CD2-CD2 4.37Å; K159-L176 HydrophobicContact CG-CD1 4.13Å; F162-L176 HydrophobicContact CB-CD1 4.3Å; Q163-L176 HydrophobicContact CB-CD1 3.99Å; L166-L176 HydrophobicContact CD1-CD2 3.54Å; L166-L176 HydrophobicContact CD1-CG 3.95Å
177Q82.7Confident70.6Confident132 Ų132104 Ų10462%0.61751%0.505SS*.SBendtrans-89.8110.3179.5-61.7-172.618.800109.6S49 S175 D179S49-Q177 VanDerWaalsContact CB-O 3.3Å; S49-Q177 WeakPolarHBondContact CB-O 2.97Å; S175-Q177 PolarHBondContact O-N 3.13Å; S175-Q177 PolarHBondContact OG-O 3.08Å; S175-Q177 VanDerWaalsContact OG-O 3.06Å; Q177-D179 PolarHBondContact O-N 2.97Å; Q177-D179 VanDerWaalsContact O-N 3.09Å
178I77.5Confident68.7Low84 Ų84108.8 Ų108.843%0.43152%0.516SS..  trans-69.4108.6167-56.4171.1000106.3V47 I54 G180V47-I178 HydrophobicContact CB-CD1 4.2Å; V47-I178 HydrophobicContact CG1-CD1 3.64Å; I54-I178 HydrophobicContact CD1-CG2 4.18Å; I54-I178 HydrophobicContact CG1-CG2 4.24Å; I178-G180 PolarHBondContact O-N 3.26Å
179D61.7Low66.7Low129 Ų129113.9 Ų113.969%0.6954%0.536SS*.  trans-55.599.1-176.9-112.9-13000110.1Q177 K181Q177-D179 PolarHBondContact O-N 2.97Å; Q177-D179 VanDerWaalsContact O-N 3.09Å; D179-K181 PolarHBondContact O-N 3.07Å
180G47.9Very low64.9Low43 Ų43119.6 Ų119.644%0.44356%0.563SS.*  trans-76.567-176.200000110.9I178 K182 S183I178-G180 PolarHBondContact O-N 3.26Å; G180-K182 PolarHBondContact O-N 3.29Å; G180-S183 PolarHBondContact O-N 3Å; G180-S183 PolarHBondContact O-OG 3.27Å
181K42.3Very low63.4Low187 Ų187120.3 Ų120.381%0.81357%0.566SS**Hα-helixtrans-58.1-9.4163.8-85.1-171.8178.1177.20112.5D179D179-K181 PolarHBondContact O-N 3.07Å
182K41.2Very low62.1Low177 Ų177119.5 Ų119.577%0.7757%0.572SS**Hα-helixtrans-77.5-24170.9-69.9-170176.2-179.80114.9G180 Q186G180-K182 PolarHBondContact O-N 3.29Å; K182-Q186 PolarHBondContact O-N 3.21Å
183S44.4Very low60.7Low80 Ų80123.8 Ų123.856%0.55959%0.593SS**Hα-helixtrans-77.7-28-176.769.10000113.8G180G180-S183 PolarHBondContact O-N 3Å; G180-S183 PolarHBondContact O-OG 3.27Å
184K42.9Very low59.1Low179 Ų179122 Ų12278%0.77860%0.595SS**Hα-helixtrans-80.6-27.4176.4-78.9-174.6178.4176.40114.1R188K184-R188 PolarHBondContact O-N 3.14Å
185Q46.9Very low57.8Low150 Ų150130.7 Ų130.770%0.70163%0.632SS**Hα-helixtrans-78.3-31.3175.4-84.2-175.8-5.600112.9R188 K189Q185-R188 PolarHBondContact O-N 3.42Å; Q185-K189 PolarHBondContact O-N 2.84Å
186Q49.2Very low56Low133 Ų133133.8 Ų133.862%0.62165%0.653SS**Hα-helixtrans-72-41.8179.5-151.9160.4-3.100111.9K182 R188 K189 E190K182-Q186 PolarHBondContact O-N 3.21Å; Q186-R188 VanDerWaalsContact C-N 3.27Å; Q186-R188 PolarHBondContact O-N 3.21Å; Q186-K189 PolarHBondContact O-N 3.13Å; Q186-E190 PolarHBondContact O-N 3.43Å; Q186-E190 VanDerWaalsContact O-N 3.09Å
187K49.4Very low54.2Low162 Ų162138.9 Ų138.970%0.70469%0.685SS**Hα-helixtrans-64.5-26.3171.2-82.9-174.9173.9179.80114K191K187-K191 PolarHBondContact O-N 2.96Å
188R53.5Low52.7Low191 Ų191139 Ų13972%0.72169%0.689SS**Hα-helixtrans-79.8-37.2176.3-136.1175.4175.4-175.3-2.7111.7K184 Q185 Q186 K191 L192K184-R188 PolarHBondContact O-N 3.14Å; Q185-R188 PolarHBondContact O-N 3.42Å; Q186-R188 VanDerWaalsContact C-N 3.27Å; Q186-R188 PolarHBondContact O-N 3.21Å; R188-K191 PolarHBondContact O-N 2.97Å; R188-L192 WeakPolarHBondContact O-CD1 3.47Å; R188-L192 PolarHBondContact O-N 2.74Å
189K53.9Low51.1Low160 Ų160147 Ų14770%0.69673%0.727SS**Hα-helixtrans-69.3-33.4175.3-101.7-177.7173.9179.40113.2Q185 Q186 L192 K193Q185-K189 PolarHBondContact O-N 2.84Å; Q186-K189 PolarHBondContact O-N 3.13Å; K189-L192 PolarHBondContact O-N 3.46Å; K189-K193 PolarHBondContact O-N 3.48Å; K189-K193 VanDerWaalsContact O-N 3.15Å
190E56Low50.6Low133 Ų133147.9 Ų147.962%0.62173%0.729SS**Hα-helixtrans-71-38.8174.1-77175.1167.200112.5Q186 L192 K193 G194Q186-E190 PolarHBondContact O-N 3.43Å; Q186-E190 VanDerWaalsContact O-N 3.09Å; E190-L192 VanDerWaalsContact C-N 3.27Å; E190-L192 PolarHBondContact O-N 3.14Å; E190-K193 PolarHBondContact O-N 2.96Å; E190-G194 PolarHBondContact O-N 2.65Å
191K56.7Low50.8Low175 Ų175153.4 Ų153.476%0.76174%0.744SS**Hα-helixtrans-67.5-24173.8-86.5-170.1173.4-173.90114.2K187 R188K187-K191 PolarHBondContact O-N 2.96Å; R188-K191 PolarHBondContact O-N 2.97Å
192L58.8Low51.2Low129 Ų129151.6 Ų151.668%0.67574%0.741SS**Hα-helixtrans-84.7-27.9176.4-90.2146.3000112.9R188 K189 E190R188-L192 WeakPolarHBondContact O-CD1 3.47Å; R188-L192 PolarHBondContact O-N 2.74Å; K189-L192 PolarHBondContact O-N 3.46Å; E190-L192 VanDerWaalsContact C-N 3.27Å; E190-L192 PolarHBondContact O-N 3.14Å
193K58.4Low51.8Low182 Ų182150.1 Ų150.179%0.79174%0.739SS**Hα-helixtrans-76.6-20174.9-78.5-170.1172-169.30114K189 E190K189-K193 PolarHBondContact O-N 3.48Å; K189-K193 VanDerWaalsContact O-N 3.15Å; E190-K193 PolarHBondContact O-N 2.96Å
194G54Low52.3Low67 Ų67154.4 Ų154.469%0.69175%0.75SS**THydrogen-bonded Turntrans-84.81.917800000116.1E190E190-G194 PolarHBondContact O-N 2.65Å
195K60.1Low52.9Low190 Ų190152.8 Ų152.883%0.82675%0.748SS**THydrogen-bonded Turntrans-115.310.9-176.1-83.2-168.7171.6-168.90115.2
196C49.2Very low53.4Low95 Ų95153 Ų15364%0.64275%0.751SS**  trans-102.887.3172.4-130.20000109.3
197V52.1Low53.7Low139 Ų139154.5 Ų154.584%0.84276%0.761SS**  trans-116.2115.8152.6178.60000104.6
198I50.7Low54Low133 Ų133153.9 Ų153.968%0.68277%0.766SS**  trans-99.4141.6-178.1-65.1173.9000106.6
199M44.9Very low54.1Low253 Ų253150.5 Ų150.5100%1.24677%0.77SS**  trans88.60-175.5-58.6-165.5-152.700116

Retrieved 199 of 199 residues in 42.1 ms (Link to these results)

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