A0A060XB16_ONCMY Loading...

Putative hydroxypyruvate isomerase

Catalyzes the reversible isomerization between hydroxypyruvate and 2-hydroxy-3-oxopropanoate (also termed tartronate semialdehyde).

AlphaFold DB , UniProt , Accession A0A060XB16, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene hyi, Length 271 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
1M64.8Low92Very high156 Ų15631.6 Ų31.677%0.76817%0.171SC*.  0146.20-64.4-179.1-68.100107.2E238 E239M1-E238 HydrophobicContact CE-CB 4.19Å; M1-E239 HydrophobicContact CE-CG 4.22Å
2P75.3Confident92.5Very high69 Ų6934.8 Ų34.845%0.44818%0.179SC..PPolyproline II helixtrans-59.4141.8176.126.6-33.4000109.4
3P87.9Confident93Very high40 Ų4032.1 Ų32.126%0.2617%0.165SC..PPolyproline II helixtrans-64.4150.7-179.827.3-34000111R269 N270P3-R269 HydrophobicContact CB-CB 4.34Å; P3-R269 HydrophobicContact CG-CB 4.13Å; P3-N270 WeakPolarHBondContact CG-OD1 3.46Å
4L96.9Very high93.3Very high2 Ų230 Ų301%0.0115%0.154CC..PPolyproline II helixtrans-58.2146.2170.8-63.8174.8000111F6 F234 L237 E238 Y242 I246 Y266 N270L4-F6 HydrophobicContact CB-CE2 3.79Å; L4-F6 HydrophobicContact CB-CZ 4.19Å; L4-F6 HydrophobicContact CD1-CZ 4.37Å; L4-F234 HydrophobicContact CD1-CB 3.67Å; L4-F234 HydrophobicContact CD1-CD1 4.04Å; L4-F234 HydrophobicContact CD1-CG 4Å; L4-L237 HydrophobicContact CD1-CB 4.43Å; L4-L237 HydrophobicContact CD2-CB 4.1Å; L4-E238 HydrophobicContact CD1-CG 3.96Å; L4-E238 HydrophobicContact CD2-CG 3.88Å; L4-E238 HydrophobicContact CG-CG 3.55Å; L4-Y242 HydrophobicContact CD2-CD1 4.37Å; L4-I246 HydrophobicContact CB-CD1 4.24Å; L4-I246 HydrophobicContact CD1-CD1 3.82Å; L4-I246 HydrophobicContact CD2-CD1 4.13Å; L4-I246 HydrophobicContact CG-CD1 4.28Å; L4-Y266 HydrophobicContact CB-CD1 4.27Å; L4-Y266 HydrophobicContact CB-CE1 4.2Å; L4-N270 PolarHBondContact O-ND2 2.9Å
5K97.8Very high93.5Very high58 Ų5832.8 Ų32.825%0.25217%0.173SC..EExtended strand (participates in β ladder)trans-107.1137.8176.4-63.6177.2-67.7-177.50109.5Q243 Y245 I246K5-Q243 WeakPolarHBondContact CE-O 3.46Å; K5-Q243 PolarHBondContact NZ-O 2.87Å; K5-Y245 HydrophobicContact CB-CD1 3.59Å; K5-Y245 HydrophobicContact CB-CE1 3.73Å; K5-Y245 HydrophobicContact CB-CG 4.23Å; K5-Y245 HydrophobicContact CD-CE1 4.24Å; K5-Y245 HydrophobicContact CG-CE1 4.46Å; K5-Y245 CarbonylContact O-C 3.55Å; K5-Y245 WeakPolarHBondContact O-CA 3.32Å; K5-I246 PolarHBondContact O-N 3.36Å
6F98.5Very high93.6Very high4 Ų437.8 Ų37.82%0.01820%0.2CC..EExtended strand (participates in β ladder)trans-119.2143-179.7-67-91.3000110.8L4 F32 I213 F234 I246 W262 V263 Y266 L267L4-F6 HydrophobicContact CB-CE2 3.79Å; L4-F6 HydrophobicContact CB-CZ 4.19Å; L4-F6 HydrophobicContact CD1-CZ 4.37Å; F6-F32 HydrophobicContact CB-CE1 4.27Å; F6-I213 HydrophobicContact CD1-CD1 4.36Å; F6-I213 HydrophobicContact CE1-CD1 3.85Å; F6-F234 HydrophobicContact CE1-CE1 4Å; F6-F234 AromaticContact CE1-CZ 3.91Å; F6-F234 HydrophobicContact CE1-CZ 3.91Å; F6-F234 HydrophobicContact CZ-CD1 4.36Å; F6-F234 HydrophobicContact CZ-CD2 4.49Å; F6-F234 HydrophobicContact CZ-CE1 4.04Å; F6-F234 HydrophobicContact CZ-CE2 4.17Å; F6-F234 AromaticContact CZ-CZ 3.94Å; F6-F234 HydrophobicContact CZ-CZ 3.94Å; F6-I246 CarbonylContact C-O 3.56Å; F6-I246 VanDerWaalsContact CA-O 3.28Å; F6-I246 WeakPolarHBondContact CA-O 3.33Å; F6-I246 HydrophobicContact CD1-CB 3.76Å; F6-I246 HydrophobicContact CD1-CG2 3.97Å; F6-I246 HydrophobicContact CE1-CB 3.86Å; F6-I246 HydrophobicContact CE1-CD1 4.08Å; F6-I246 HydrophobicContact CE1-CG2 3.83Å; F6-I246 HydrophobicContact CZ-CD1 4.2Å; F6-W262 AromaticContact CD1-CH2 3.67Å; F6-W262 HydrophobicContact CD1-CH2 3.67Å; F6-W262 AromaticContact CD1-CZ3 3.97Å; F6-W262 HydrophobicContact CD1-CZ3 3.97Å; F6-W262 AromaticContact CE1-CH2 3.72Å; F6-W262 HydrophobicContact CE1-CH2 3.72Å; F6-W262 AromaticContact CE1-CZ3 3.58Å; F6-W262 HydrophobicContact CE1-CZ3 3.58Å; F6-W262 HydrophobicContact CG-CH2 4.44Å; F6-W262 AromaticContact CZ-CZ3 3.99Å; F6-W262 HydrophobicContact CZ-CZ3 3.99Å; F6-V263 HydrophobicContact CB-CG2 3.85Å; F6-V263 HydrophobicContact CD1-CG2 4.16Å; F6-V263 HydrophobicContact CD2-CG2 3.78Å; F6-V263 HydrophobicContact CE2-CG2 4.39Å; F6-V263 HydrophobicContact CG-CG2 3.65Å; F6-Y266 HydrophobicContact CD2-CD2 4.42Å; F6-Y266 AromaticContact CD2-CG 3.99Å; F6-Y266 HydrophobicContact CD2-CG 3.99Å; F6-Y266 AromaticContact CE2-CD1 3.76Å; F6-Y266 HydrophobicContact CE2-CD1 3.76Å; F6-Y266 AromaticContact CE2-CD2 3.66Å; F6-Y266 HydrophobicContact CE2-CD2 3.66Å; F6-Y266 HydrophobicContact CE2-CE1 4.29Å; F6-Y266 HydrophobicContact CE2-CE2 4.19Å; F6-Y266 AromaticContact CE2-CG 3.42Å; F6-Y266 HydrophobicContact CE2-CG 3.42Å; F6-Y266 VanDerWaalsContact CE2-CG 3.42Å; F6-Y266 HydrophobicContact CZ-CD2 4.25Å; F6-Y266 HydrophobicContact CZ-CE2 4.44Å; F6-Y266 HydrophobicContact CZ-CG 4.4Å; F6-L267 HydrophobicContact CB-CD2 4.42Å
7C98.7Very high93.8Very high0 Ų038.4 Ų38.40%020%0.203CC..EExtended strand (participates in β ladder)trans-119.2142.8171.453.20000110.7A34 E36 V60 Y245 I246 G247 C248C7-A34 CarbonylContact C-O 3.47Å; C7-A34 WeakPolarHBondContact CA-O 3.38Å; C7-A34 HydrophobicContact CB-CB 3.66Å; C7-A34 WeakPolarHBondContact CB-O 3.28Å; C7-E36 PolarHBondContact SG-OE2 3.21Å; C7-V60 HydrophobicContact CB-CG2 3.69Å; C7-V60 VanDerWaalsContact SG-CG2 3.53Å; C7-Y245 HydrophobicContact CB-CD1 4.17Å; C7-Y245 HydrophobicContact CB-CG 4.42Å; C7-I246 PolarHBondContact N-O 2.78Å; C7-G247 WeakPolarHBondContact SG-CA 3.4Å; C7-C248 WeakPolarHBondContact O-CB 3.43Å; C7-C248 PolarHBondContact O-N 3.18Å
8A98.8Very high93.7Very high0 Ų041.3 Ų41.30%023%0.225CC..EExtended strand (participates in β ladder)trans-79.4127.717600000110.1L10 L13 F14 A27 F32 A34 V35 E36A8-L10 HydrophobicContact CB-CD2 4.06Å; A8-L10 PolarHBondContact O-N 3.27Å; A8-L13 HydrophobicContact CB-CD1 4.08Å; A8-F14 HydrophobicContact CB-CE2 4.24Å; A8-A27 HydrophobicContact CB-CB 3.96Å; A8-F32 HydrophobicContact CB-CB 4.39Å; A8-F32 HydrophobicContact CB-CD1 3.92Å; A8-F32 HydrophobicContact CB-CD2 3.8Å; A8-F32 HydrophobicContact CB-CE1 4.06Å; A8-F32 HydrophobicContact CB-CE2 3.95Å; A8-F32 HydrophobicContact CB-CG 3.78Å; A8-F32 HydrophobicContact CB-CZ 4.07Å; A8-A34 PolarHBondContact N-O 3.36Å; A8-V35 HydrophobicContact CB-CG1 4.44Å; A8-V35 CarbonylContact O-C 3.47Å; A8-V35 VanDerWaalsContact O-CA 3.24Å; A8-V35 WeakPolarHBondContact O-CA 3.12Å; A8-E36 PolarHBondContact O-N 2.89Å
9N98.8Very high93.6Very high3 Ų344.9 Ų44.92%0.01624%0.24CC..EExtended strand (participates in β ladder)trans-83.4106.3169.7-170.7-49.6000109.9S11 W12 L13 E36 C248 E249N9-S11 PolarHBondContact O-N 2.64Å; N9-S11 VanDerWaalsContact OD1-CB 3.31Å; N9-S11 WeakPolarHBondContact OD1-CB 3.41Å; N9-S11 PolarHBondContact OD1-N 2.82Å; N9-W12 PolarHBondContact O-N 3.27Å; N9-W12 VanDerWaalsContact O-N 3.14Å; N9-L13 WeakPolarHBondContact O-CB 3.48Å; N9-L13 PolarHBondContact O-N 2.95Å; N9-E36 WeakPolarHBondContact CA-O 3.5Å; N9-E36 HydrophobicContact CB-CG 3.64Å; N9-E36 WeakPolarHBondContact CB-OE1 3.37Å; N9-E36 PolarHBondContact ND2-OE1 2.82Å; N9-C248 WeakPolarHBondContact CB-O 3.38Å; N9-E249 HydrophobicContact CB-CB 4.13Å; N9-E249 HydrophobicContact CB-CG 4.34Å; N9-E249 WeakPolarHBondContact ND2-CG 3.28Å
10L98.4Very high93.7Very high0 Ų043.5 Ų43.50%023%0.232CC..THydrogen-bonded Turntrans-78.4-6.5-173.3-54-176.8000113.8A8 W12 F14 F20 R23 I24 A27 V35 E36A8-L10 HydrophobicContact CB-CD2 4.06Å; A8-L10 PolarHBondContact O-N 3.27Å; L10-W12 VanDerWaalsContact C-N 3.27Å; L10-F14 HydrophobicContact CD2-CD2 4.09Å; L10-F20 HydrophobicContact CB-CE1 4.36Å; L10-F20 HydrophobicContact CB-CE2 3.7Å; L10-F20 HydrophobicContact CB-CZ 3.54Å; L10-F20 HydrophobicContact CD1-CE1 3.73Å; L10-F20 HydrophobicContact CD1-CZ 3.71Å; L10-F20 HydrophobicContact CG-CZ 4.19Å; L10-R23 HydrophobicContact CB-CB 4.17Å; L10-R23 HydrophobicContact CD1-CB 4.25Å; L10-R23 HydrophobicContact CD2-CB 4.11Å; L10-R23 HydrophobicContact CG-CB 4.4Å; L10-R23 VanDerWaalsContact O-CD 3.23Å; L10-R23 WeakPolarHBondContact O-CD 3.41Å; L10-R23 PolarHBondContact O-NH1 2.81Å; L10-I24 HydrophobicContact CD1-CB 4.3Å; L10-I24 HydrophobicContact CD1-CG1 3.47Å; L10-I24 VanDerWaalsContact CD1-CG1 3.47Å; L10-A27 HydrophobicContact CD2-CB 3.81Å; L10-V35 HydrophobicContact CD1-CB 3.81Å; L10-V35 HydrophobicContact CD1-CG1 3.97Å; L10-V35 HydrophobicContact CD1-CG2 3.99Å; L10-V35 HydrophobicContact CD2-CB 4.35Å; L10-V35 HydrophobicContact CD2-CG1 4.05Å; L10-V35 HydrophobicContact CG-CB 3.93Å; L10-V35 HydrophobicContact CG-CG1 4.14Å; L10-E36 PolarHBondContact N-O 3.29Å
11S96.8Very high93.8Very high16 Ų1642.5 Ų42.511%0.11223%0.227CC..THydrogen-bonded Turntrans-77.6-17.1169.1-58.70000112N9 A38 W39N9-S11 PolarHBondContact O-N 2.64Å; N9-S11 VanDerWaalsContact OD1-CB 3.31Å; N9-S11 WeakPolarHBondContact OD1-CB 3.41Å; N9-S11 PolarHBondContact OD1-N 2.82Å; S11-A38 PolarHBondContact OG-N 3.46Å; S11-W39 PolarHBondContact OG-N 3.41Å
12W97.8Very high95.3Very high69 Ų6938.9 Ų38.926%0.26121%0.208SC..THydrogen-bonded Turntrans-120.9-40-177.6-70.185.9000113.6N9 L10 T15 E249 Y250 K251N9-W12 PolarHBondContact O-N 3.27Å; N9-W12 VanDerWaalsContact O-N 3.14Å; L10-W12 VanDerWaalsContact C-N 3.27Å; W12-T15 WeakPolarHBondContact O-CG2 3.34Å; W12-T15 PolarHBondContact O-OG1 3.46Å; W12-E249 HydrophobicContact CD2-CG 4.36Å; W12-E249 HydrophobicContact CG-CG 3.97Å; W12-E249 VanDerWaalsContact NE1-CG 3.26Å; W12-E249 PolarHBondContact NE1-OE1 3.42Å; W12-Y250 WeakPolarHBondContact CB-O 3.31Å; W12-K251 HydrophobicContact CE3-CB 3.92Å; W12-K251 HydrophobicContact CZ3-CB 4.04Å
13L98.4Very high96.4Very high0 Ų037.5 Ų37.50%019%0.194CC..THydrogen-bonded Turntrans-90.2150.1177.9-55.6-173.3000111A8 N9 T15 C248 Y250 P252 T256A8-L13 HydrophobicContact CB-CD1 4.08Å; N9-L13 WeakPolarHBondContact O-CB 3.48Å; N9-L13 PolarHBondContact O-N 2.95Å; L13-T15 PolarHBondContact O-N 3.42Å; L13-C248 HydrophobicContact CD1-CB 3.78Å; L13-Y250 HydrophobicContact CD2-CD2 3.99Å; L13-Y250 HydrophobicContact CD2-CE1 4.31Å; L13-Y250 HydrophobicContact CD2-CE2 3.61Å; L13-Y250 HydrophobicContact CD2-CG 4.45Å; L13-Y250 WeakPolarHBondContact CD2-O 3.4Å; L13-P252 HydrophobicContact CD2-CG 3.62Å; L13-T256 HydrophobicContact CB-CG2 3.95Å; L13-T256 HydrophobicContact CD2-CG2 4.23Å; L13-T256 HydrophobicContact CG-CG2 4.46Å
14F98Very high96.9Very high3 Ų335.7 Ų35.71%0.01318%0.182CC..THydrogen-bonded Turntrans57.926.6179.9-49.3-78000114A8 L10 D16 L17 R23 A26 A27 A30 T256 L260A8-F14 HydrophobicContact CB-CE2 4.24Å; L10-F14 HydrophobicContact CD2-CD2 4.09Å; F14-D16 WeakPolarHBondContact CA-OD1 3.5Å; F14-D16 PolarHBondContact O-N 2.92Å; F14-L17 HydrophobicContact CB-CD1 4.38Å; F14-L17 WeakPolarHBondContact O-CB 3.05Å; F14-L17 PolarHBondContact O-N 2.93Å; F14-R23 HydrophobicContact CB-CB 4.06Å; F14-R23 HydrophobicContact CB-CG 4.11Å; F14-R23 WeakPolarHBondContact O-CD 3.38Å; F14-R23 WeakPolarHBondContact O-CG 3.27Å; F14-R23 PolarHBondContact O-NE 3.02Å; F14-A26 HydrophobicContact CB-CB 4.27Å; F14-A26 HydrophobicContact CD1-CB 3.56Å; F14-A26 HydrophobicContact CE1-CB 3.95Å; F14-A26 HydrophobicContact CG-CB 3.87Å; F14-A27 HydrophobicContact CD2-CB 4.32Å; F14-A27 HydrophobicContact CE2-CB 3.82Å; F14-A27 HydrophobicContact CZ-CB 4.47Å; F14-A30 HydrophobicContact CE1-CB 4.39Å; F14-A30 HydrophobicContact CZ-CB 3.89Å; F14-T256 HydrophobicContact CD1-CG2 3.75Å; F14-T256 HydrophobicContact CD2-CG2 4.1Å; F14-T256 HydrophobicContact CE1-CG2 3.47Å; F14-T256 VanDerWaalsContact CE1-CG2 3.47Å; F14-T256 HydrophobicContact CE2-CG2 3.83Å; F14-T256 HydrophobicContact CG-CG2 4.07Å; F14-T256 HydrophobicContact CZ-CG2 3.51Å; F14-T256 PolarHBondContact N-OG1 3.43Å; F14-L260 HydrophobicContact CZ-CD1 4.29Å
15T96.3Very high97Very high72 Ų7239.9 Ų39.944%0.44220%0.199SC..THydrogen-bonded Turntrans-72.4-9.1-177.150.60000113.6W12 L13 L17W12-T15 WeakPolarHBondContact O-CG2 3.34Å; W12-T15 PolarHBondContact O-OG1 3.46Å; L13-T15 PolarHBondContact O-N 3.42Å; T15-L17 PolarHBondContact O-N 3.24Å
16D95.3Very high97Very high112 Ų11238 Ų3860%0.59919%0.194SC*.THydrogen-bonded Turntrans-63.9-21.116555.4-60.3000112.7F14F14-D16 WeakPolarHBondContact CA-OD1 3.5Å; F14-D16 PolarHBondContact O-N 2.92Å
17L96.3Very high97Very high48 Ų4837.8 Ų37.825%0.25119%0.193SC..SBendtrans-91.3121.7171.3-57.7171.1000109.6F14 T15 Q22 R23 A26F14-L17 HydrophobicContact CB-CD1 4.38Å; F14-L17 WeakPolarHBondContact O-CB 3.05Å; F14-L17 PolarHBondContact O-N 2.93Å; T15-L17 PolarHBondContact O-N 3.24Å; L17-Q22 HydrophobicContact CB-CB 3.97Å; L17-Q22 HydrophobicContact CD1-CB 4.07Å; L17-Q22 HydrophobicContact CG-CB 4.44Å; L17-R23 HydrophobicContact CB-CG 4.1Å; L17-R23 PolarHBondContact O-NE 3.43Å; L17-R23 PolarHBondContact O-NH2 2.84Å; L17-R23 VanDerWaalsContact O-NH2 3.09Å; L17-A26 HydrophobicContact CD1-CB 3.59Å
18P91.3Very high96.9Very high92 Ų9239.1 Ų39.160%0.59720%0.204SC*.SBendtrans-67.8-44.5-17425-33.1000112R23P18-R23 PolarHBondContact O-NH2 3.45Å
19E93.5Very high96.9Very high110 Ų11044 Ų4451%0.51424%0.238SC..SBendtrans-82.2130.8-176.1-59.2-55140.200111.1T21 Q22 R23E19-T21 PolarHBondContact O-N 3.41Å; E19-Q22 HydrophobicContact CB-CB 4.41Å; E19-Q22 HydrophobicContact CB-CG 3.95Å; E19-Q22 WeakPolarHBondContact O-CB 3.46Å; E19-Q22 PolarHBondContact O-N 3.28Å; E19-R23 PolarHBondContact O-N 2.95Å
20F94Very high96.8Very high16 Ų1645.2 Ų45.27%0.0725%0.248CC..Hα-helixtrans-57.3-36.1-179.7-164.9-87.1000112.3L10 Q22 R23 I24 A37 W39 L40 S43 L48L10-F20 HydrophobicContact CB-CE1 4.36Å; L10-F20 HydrophobicContact CB-CE2 3.7Å; L10-F20 HydrophobicContact CB-CZ 3.54Å; L10-F20 HydrophobicContact CD1-CE1 3.73Å; L10-F20 HydrophobicContact CD1-CZ 3.71Å; L10-F20 HydrophobicContact CG-CZ 4.19Å; F20-Q22 VanDerWaalsContact C-N 3.34Å; F20-Q22 PolarHBondContact O-N 3.24Å; F20-R23 VanDerWaalsContact O-CB 3.31Å; F20-R23 WeakPolarHBondContact O-CB 3.01Å; F20-R23 PolarHBondContact O-N 2.7Å; F20-R23 VanDerWaalsContact O-N 3.1Å; F20-I24 HydrophobicContact CD1-CD1 4.08Å; F20-I24 HydrophobicContact CD1-CG1 4.22Å; F20-I24 HydrophobicContact CE1-CD1 4.09Å; F20-I24 HydrophobicContact CE1-CG1 4.1Å; F20-I24 PolarHBondContact O-N 3.33Å; F20-A37 HydrophobicContact CE1-CB 4.37Å; F20-A37 HydrophobicContact CE2-CB 3.93Å; F20-A37 HydrophobicContact CZ-CB 3.39Å; F20-W39 WeakPolarHBondContact CE2-O 3.27Å; F20-L40 HydrophobicContact CE1-CB 4.46Å; F20-L40 HydrophobicContact CZ-CB 4.39Å; F20-S43 WeakPolarHBondContact CB-OG 3.44Å; F20-L48 HydrophobicContact CD1-CD2 3.55Å; F20-L48 HydrophobicContact CE1-CD2 4.22Å; F20-L48 HydrophobicContact CG-CD2 4.46Å
21T96Very high96.7Very high22 Ų2245.5 Ų45.514%0.13525%0.251CS..Hα-helixtrans-63.4-36.3177.953.20000112.8E19 R23 I24 Y25 E47 L48 V51E19-T21 PolarHBondContact O-N 3.41Å; T21-R23 VanDerWaalsContact C-N 3.29Å; T21-R23 PolarHBondContact O-N 2.75Å; T21-I24 WeakPolarHBondContact O-CB 3.31Å; T21-I24 PolarHBondContact O-N 3.16Å; T21-Y25 WeakPolarHBondContact O-CD2 3.39Å; T21-Y25 PolarHBondContact O-N 3.35Å; T21-E47 HydrophobicContact CG2-CB 4.5Å; T21-E47 HydrophobicContact CG2-CG 3.65Å; T21-L48 HydrophobicContact CG2-CD2 4.04Å; T21-V51 HydrophobicContact CG2-CG2 4.17Å
22Q97.3Very high96.8Very high80 Ų8044.9 Ų44.937%0.37425%0.247SC..Hα-helixtrans-65.4-35.4174.1-67172.9-15.400111.1L17 E19 F20 I24 Y25 A26L17-Q22 HydrophobicContact CB-CB 3.97Å; L17-Q22 HydrophobicContact CD1-CB 4.07Å; L17-Q22 HydrophobicContact CG-CB 4.44Å; E19-Q22 HydrophobicContact CB-CB 4.41Å; E19-Q22 HydrophobicContact CB-CG 3.95Å; E19-Q22 WeakPolarHBondContact O-CB 3.46Å; E19-Q22 PolarHBondContact O-N 3.28Å; F20-Q22 VanDerWaalsContact C-N 3.34Å; F20-Q22 PolarHBondContact O-N 3.24Å; Q22-I24 VanDerWaalsContact C-N 3.33Å; Q22-I24 PolarHBondContact O-N 2.87Å; Q22-Y25 PolarHBondContact O-N 3.46Å; Q22-A26 WeakPolarHBondContact O-CB 3.47Å; Q22-A26 PolarHBondContact O-N 3.02Å
23R98.1Very high96.8Very high40 Ų4045 Ų4515%0.15125%0.25CS..Hα-helixtrans-64.8-36.8175.4-51.5-172.6-169.7164.17.1112.2L10 F14 L17 P18 E19 F20 T21 A26 A27L10-R23 HydrophobicContact CB-CB 4.17Å; L10-R23 HydrophobicContact CD1-CB 4.25Å; L10-R23 HydrophobicContact CD2-CB 4.11Å; L10-R23 HydrophobicContact CG-CB 4.4Å; L10-R23 VanDerWaalsContact O-CD 3.23Å; L10-R23 WeakPolarHBondContact O-CD 3.41Å; L10-R23 PolarHBondContact O-NH1 2.81Å; F14-R23 HydrophobicContact CB-CB 4.06Å; F14-R23 HydrophobicContact CB-CG 4.11Å; F14-R23 WeakPolarHBondContact O-CD 3.38Å; F14-R23 WeakPolarHBondContact O-CG 3.27Å; F14-R23 PolarHBondContact O-NE 3.02Å; L17-R23 HydrophobicContact CB-CG 4.1Å; L17-R23 PolarHBondContact O-NE 3.43Å; L17-R23 PolarHBondContact O-NH2 2.84Å; L17-R23 VanDerWaalsContact O-NH2 3.09Å; P18-R23 PolarHBondContact O-NH2 3.45Å; E19-R23 PolarHBondContact O-N 2.95Å; F20-R23 VanDerWaalsContact O-CB 3.31Å; F20-R23 WeakPolarHBondContact O-CB 3.01Å; F20-R23 PolarHBondContact O-N 2.7Å; F20-R23 VanDerWaalsContact O-N 3.1Å; T21-R23 VanDerWaalsContact C-N 3.29Å; T21-R23 PolarHBondContact O-N 2.75Å; R23-A26 PolarHBondContact O-N 3.13Å; R23-A27 WeakPolarHBondContact O-CB 3.37Å; R23-A27 PolarHBondContact O-N 3.12Å
24I98.1Very high96.8Very high3 Ų345 Ų452%0.01525%0.25CS..Hα-helixtrans-62.1-47.5174.1-59.4173.7000110.5L10 F20 T21 Q22 A26 A27 A28 L48 V51 T55 V57L10-I24 HydrophobicContact CD1-CB 4.3Å; L10-I24 HydrophobicContact CD1-CG1 3.47Å; L10-I24 VanDerWaalsContact CD1-CG1 3.47Å; F20-I24 HydrophobicContact CD1-CD1 4.08Å; F20-I24 HydrophobicContact CD1-CG1 4.22Å; F20-I24 HydrophobicContact CE1-CD1 4.09Å; F20-I24 HydrophobicContact CE1-CG1 4.1Å; F20-I24 PolarHBondContact O-N 3.33Å; T21-I24 WeakPolarHBondContact O-CB 3.31Å; T21-I24 PolarHBondContact O-N 3.16Å; Q22-I24 VanDerWaalsContact C-N 3.33Å; Q22-I24 PolarHBondContact O-N 2.87Å; I24-A26 VanDerWaalsContact C-N 3.32Å; I24-A26 PolarHBondContact O-N 3.34Å; I24-A27 PolarHBondContact O-N 3.01Å; I24-A28 WeakPolarHBondContact O-CB 3.32Å; I24-A28 PolarHBondContact O-N 3.43Å; I24-L48 HydrophobicContact CD1-CD2 3.94Å; I24-V51 HydrophobicContact CB-CG1 3.75Å; I24-V51 HydrophobicContact CD1-CG1 4.24Å; I24-V51 HydrophobicContact CG2-CG1 3.72Å; I24-T55 HydrophobicContact CG2-CG2 4.37Å; I24-V57 HydrophobicContact CG2-CG2 3.48Å; I24-V57 VanDerWaalsContact CG2-CG2 3.48Å
25Y98.3Very high96.8Very high89 Ų8945 Ų4535%0.34925%0.25SS..Hα-helixtrans-60.9-40.1174.9-79.4-65.6000112.6T21 Q22 A28 S29 R50 V51 A54 T55T21-Y25 WeakPolarHBondContact O-CD2 3.39Å; T21-Y25 PolarHBondContact O-N 3.35Å; Q22-Y25 PolarHBondContact O-N 3.46Å; Y25-A28 PolarHBondContact O-N 3.35Å; Y25-S29 WeakPolarHBondContact O-CB 3.39Å; Y25-S29 PolarHBondContact O-N 2.99Å; Y25-S29 PolarHBondContact O-OG 2.87Å; Y25-R50 PolarHBondContact OH-NH1 3.41Å; Y25-V51 HydrophobicContact CD2-CG1 3.73Å; Y25-V51 HydrophobicContact CD2-CG2 4.44Å; Y25-V51 HydrophobicContact CE1-CG1 4.34Å; Y25-V51 HydrophobicContact CE2-CB 4.17Å; Y25-V51 HydrophobicContact CE2-CG1 3.52Å; Y25-V51 HydrophobicContact CE2-CG2 3.6Å; Y25-V51 HydrophobicContact CG-CG1 4.25Å; Y25-A54 HydrophobicContact CE1-CB 4.46Å; Y25-T55 HydrophobicContact CD1-CG2 3.33Å; Y25-T55 HydrophobicContact CE1-CG2 3.52Å; Y25-T55 HydrophobicContact CG-CG2 4.12Å
26A98.3Very high96.9Very high19 Ų1941.6 Ų41.616%0.15723%0.229CC..Hα-helixtrans-65.7-44.3178.500000112F14 L17 Q22 R23 I24 A28 S29 A30F14-A26 HydrophobicContact CB-CB 4.27Å; F14-A26 HydrophobicContact CD1-CB 3.56Å; F14-A26 HydrophobicContact CE1-CB 3.95Å; F14-A26 HydrophobicContact CG-CB 3.87Å; L17-A26 HydrophobicContact CD1-CB 3.59Å; Q22-A26 WeakPolarHBondContact O-CB 3.47Å; Q22-A26 PolarHBondContact O-N 3.02Å; R23-A26 PolarHBondContact O-N 3.13Å; I24-A26 VanDerWaalsContact C-N 3.32Å; I24-A26 PolarHBondContact O-N 3.34Å; A26-A28 PolarHBondContact O-N 3.2Å; A26-S29 PolarHBondContact O-N 3.44Å; A26-A30 WeakPolarHBondContact O-CB 3.27Å; A26-A30 PolarHBondContact O-N 3.47Å
27A98.4Very high97Very high0 Ų036.4 Ų36.40%020%0.203CC..Hα-helixtrans-61.5-45175.900000112A8 L10 F14 R23 I24 S29 A30 G31 F32 V35A8-A27 HydrophobicContact CB-CB 3.96Å; L10-A27 HydrophobicContact CD2-CB 3.81Å; F14-A27 HydrophobicContact CD2-CB 4.32Å; F14-A27 HydrophobicContact CE2-CB 3.82Å; F14-A27 HydrophobicContact CZ-CB 4.47Å; R23-A27 WeakPolarHBondContact O-CB 3.37Å; R23-A27 PolarHBondContact O-N 3.12Å; I24-A27 PolarHBondContact O-N 3.01Å; A27-S29 VanDerWaalsContact C-N 3.34Å; A27-S29 PolarHBondContact O-N 3.46Å; A27-A30 PolarHBondContact O-N 3.35Å; A27-G31 PolarHBondContact O-N 3.47Å; A27-F32 HydrophobicContact CB-CB 4.32Å; A27-F32 HydrophobicContact CB-CD2 4.4Å; A27-F32 WeakPolarHBondContact O-CB 3.36Å; A27-F32 PolarHBondContact O-N 3.07Å; A27-V35 HydrophobicContact CB-CG1 3.81Å
28A97.9Very high96.8Very high27 Ų2734.2 Ų34.222%0.22319%0.191CC..Hα-helixtrans-59.3-45.4174.800000111.6I24 Y25 A26 A30 G31 T55 V57I24-A28 WeakPolarHBondContact O-CB 3.32Å; I24-A28 PolarHBondContact O-N 3.43Å; Y25-A28 PolarHBondContact O-N 3.35Å; A26-A28 PolarHBondContact O-N 3.2Å; A28-A30 VanDerWaalsContact C-N 3.31Å; A28-A30 PolarHBondContact O-N 2.98Å; A28-G31 WeakPolarHBondContact O-CA 3.32Å; A28-G31 PolarHBondContact O-N 3.01Å; A28-T55 HydrophobicContact CB-CG2 3.97Å; A28-V57 HydrophobicContact CB-CG1 3.66Å
29S97.2Very high96.6Very high102 Ų10235.2 Ų35.271%0.71318%0.183SC*.Hα-helixtrans-64.4-34.5178.3-58.40000112.6Y25 A26 A27 G31Y25-S29 WeakPolarHBondContact O-CB 3.39Å; Y25-S29 PolarHBondContact O-N 2.99Å; Y25-S29 PolarHBondContact O-OG 2.87Å; A26-S29 PolarHBondContact O-N 3.44Å; A27-S29 VanDerWaalsContact C-N 3.34Å; A27-S29 PolarHBondContact O-N 3.46Å; S29-G31 PolarHBondContact O-N 2.9Å
30A97.2Very high96.5Very high29 Ų2930.1 Ų30.124%0.2416%0.159CC..Hα-helixtrans-71.9-11173.400000113.3F14 A26 A27 A28 F32 L260F14-A30 HydrophobicContact CE1-CB 4.39Å; F14-A30 HydrophobicContact CZ-CB 3.89Å; A26-A30 WeakPolarHBondContact O-CB 3.27Å; A26-A30 PolarHBondContact O-N 3.47Å; A27-A30 PolarHBondContact O-N 3.35Å; A28-A30 VanDerWaalsContact C-N 3.31Å; A28-A30 PolarHBondContact O-N 2.98Å; A30-F32 HydrophobicContact CB-CD2 4.19Å; A30-F32 HydrophobicContact CB-CE2 4.45Å; A30-L260 HydrophobicContact CB-CD1 3.64Å
31G97.1Very high96.5Very high6 Ų631.3 Ų31.36%0.06216%0.164CC..THydrogen-bonded Turntrans99.29.2175.100000115A27 A28 S29A27-G31 PolarHBondContact O-N 3.47Å; A28-G31 WeakPolarHBondContact O-CA 3.32Å; A28-G31 PolarHBondContact O-N 3.01Å; S29-G31 PolarHBondContact O-N 2.9Å
32F98.2Very high96.3Very high4 Ų438.6 Ų38.62%0.01820%0.202CC..  trans-70.4135.1169.1-70.3-86000110.4F6 A8 A27 A30 L260 V263 L267F6-F32 HydrophobicContact CB-CE1 4.27Å; A8-F32 HydrophobicContact CB-CB 4.39Å; A8-F32 HydrophobicContact CB-CD1 3.92Å; A8-F32 HydrophobicContact CB-CD2 3.8Å; A8-F32 HydrophobicContact CB-CE1 4.06Å; A8-F32 HydrophobicContact CB-CE2 3.95Å; A8-F32 HydrophobicContact CB-CG 3.78Å; A8-F32 HydrophobicContact CB-CZ 4.07Å; A27-F32 HydrophobicContact CB-CB 4.32Å; A27-F32 HydrophobicContact CB-CD2 4.4Å; A27-F32 WeakPolarHBondContact O-CB 3.36Å; A27-F32 PolarHBondContact O-N 3.07Å; A30-F32 HydrophobicContact CB-CD2 4.19Å; A30-F32 HydrophobicContact CB-CE2 4.45Å; F32-L260 HydrophobicContact CE2-CD1 3.95Å; F32-L260 HydrophobicContact CE2-CD2 3.85Å; F32-L260 HydrophobicContact CZ-CD2 3.86Å; F32-V263 HydrophobicContact CZ-CG1 4.2Å; F32-L267 HydrophobicContact CD1-CD1 4.31Å; F32-L267 HydrophobicContact CD1-CD2 3.77Å; F32-L267 HydrophobicContact CD2-CD1 4.14Å; F32-L267 HydrophobicContact CE1-CD1 4.25Å; F32-L267 HydrophobicContact CE1-CD2 4.01Å; F32-L267 HydrophobicContact CE2-CD1 4.07Å; F32-L267 HydrophobicContact CG-CD1 4.27Å; F32-L267 HydrophobicContact CG-CD2 4.28Å; F32-L267 HydrophobicContact CZ-CD1 4.13Å
33Q97.5Very high96.1Very high71 Ų7135.9 Ų35.933%0.33219%0.192SC..SBendtrans-94-9.5172-68.5173-40.700112.4V57 D58 N270Q33-V57 CarbonylContact O-C 3.52Å; Q33-V57 VanDerWaalsContact O-CA 3.31Å; Q33-V57 WeakPolarHBondContact O-CA 3.5Å; Q33-D58 PolarHBondContact O-N 3.43Å; Q33-N270 VanDerWaalsContact CD-O 3.28Å; Q33-N270 PolarHBondContact NE2-O 3.31Å; Q33-N270 PolarHBondContact OE1-O 2.93Å
34A98.4Very high96Very high0 Ų038.7 Ų38.70%021%0.21CC..EExtended strand (participates in β ladder)trans-144.1151.4-176.400000111.2C7 A8 D58 V60 Y245C7-A34 CarbonylContact C-O 3.47Å; C7-A34 WeakPolarHBondContact CA-O 3.38Å; C7-A34 HydrophobicContact CB-CB 3.66Å; C7-A34 WeakPolarHBondContact CB-O 3.28Å; A8-A34 PolarHBondContact N-O 3.36Å; A34-D58 CarbonylContact C-O 3.59Å; A34-D58 VanDerWaalsContact CA-O 3.22Å; A34-D58 WeakPolarHBondContact CA-O 3.39Å; A34-D58 HydrophobicContact CB-CB 4.24Å; A34-V60 HydrophobicContact CB-CG1 3.6Å; A34-V60 HydrophobicContact CB-CG2 4.29Å; A34-Y245 HydrophobicContact CB-CD1 3.61Å; A34-Y245 HydrophobicContact CB-CD2 4.46Å; A34-Y245 HydrophobicContact CB-CE1 3.31Å; A34-Y245 HydrophobicContact CB-CE2 4.22Å; A34-Y245 HydrophobicContact CB-CG 4.19Å
35V98.8Very high95.9Very high3 Ų339.9 Ų39.92%0.01822%0.216CC..EExtended strand (participates in β ladder)trans-136.4152.6179-58.30000111A8 L10 A27 V57 D58 V59 V60A8-V35 HydrophobicContact CB-CG1 4.44Å; A8-V35 CarbonylContact O-C 3.47Å; A8-V35 VanDerWaalsContact O-CA 3.24Å; A8-V35 WeakPolarHBondContact O-CA 3.12Å; L10-V35 HydrophobicContact CD1-CB 3.81Å; L10-V35 HydrophobicContact CD1-CG1 3.97Å; L10-V35 HydrophobicContact CD1-CG2 3.99Å; L10-V35 HydrophobicContact CD2-CB 4.35Å; L10-V35 HydrophobicContact CD2-CG1 4.05Å; L10-V35 HydrophobicContact CG-CB 3.93Å; L10-V35 HydrophobicContact CG-CG1 4.14Å; A27-V35 HydrophobicContact CB-CG1 3.81Å; V35-V57 HydrophobicContact CG1-CG2 4.44Å; V35-V57 HydrophobicContact CG2-CG2 4.38Å; V35-D58 PolarHBondContact N-O 3.36Å; V35-V59 HydrophobicContact CG2-CG2 4.05Å; V35-V59 CarbonylContact O-C 3.51Å; V35-V59 WeakPolarHBondContact O-CA 3.33Å; V35-V60 WeakPolarHBondContact O-CG2 3.21Å; V35-V60 PolarHBondContact O-N 2.89Å
36E98.8Very high95.8Very high0 Ų042.8 Ų42.80%023%0.233CC..EExtended strand (participates in β ladder)trans-129.1161.1170.663.6-179.6-141.800110.7C7 A8 N9 L10 V60 L61 H210 Q212 G247C7-E36 PolarHBondContact SG-OE2 3.21Å; A8-E36 PolarHBondContact O-N 2.89Å; N9-E36 WeakPolarHBondContact CA-O 3.5Å; N9-E36 HydrophobicContact CB-CG 3.64Å; N9-E36 WeakPolarHBondContact CB-OE1 3.37Å; N9-E36 PolarHBondContact ND2-OE1 2.82Å; L10-E36 PolarHBondContact N-O 3.29Å; E36-V60 HydrophobicContact CB-CG2 4.37Å; E36-L61 WeakPolarHBondContact CA-O 3.43Å; E36-L61 HydrophobicContact CB-CB 3.81Å; E36-L61 HydrophobicContact CB-CG 4.48Å; E36-H210 IonicContact OE2-CD2 3.02Å; E36-H210 IonicContact OE2-CE1 2.75Å; E36-H210 PolarHBondContact OE2-CE1 3.27Å; E36-H210 IonicContact OE2-NE2 3.26Å; E36-H210 PolarHBondContact OE2-NE2 3.47Å; E36-Q212 PolarHBondContact OE1-NE2 2.79Å; E36-G247 VanDerWaalsContact OE2-CA 3.28Å; E36-G247 WeakPolarHBondContact OE2-CA 3.37Å
37A96.5Very high95.7Very high4 Ų444.9 Ų44.93%0.03324%0.239CC..EExtended strand (participates in β ladder)trans-154.4126.9-173.400000113.1F20 L40 L61 I62 N63F20-A37 HydrophobicContact CE1-CB 4.37Å; F20-A37 HydrophobicContact CE2-CB 3.93Å; F20-A37 HydrophobicContact CZ-CB 3.39Å; A37-L40 HydrophobicContact CB-CB 4.42Å; A37-L40 HydrophobicContact CB-CD2 4.17Å; A37-L61 PolarHBondContact N-O 3.32Å; A37-I62 VanDerWaalsContact O-CA 3.26Å; A37-I62 WeakPolarHBondContact O-CA 3.1Å; A37-N63 PolarHBondContact O-N 3.16Å
38A91.8Very high95.7Very high2 Ų245 Ų452%0.01724%0.24CC..SBendtrans-79-41167.300000111.2S11S11-A38 PolarHBondContact OG-N 3.46Å
39W86.4Confident95.7Very high113 Ų11347 Ų4743%0.42825%0.245SC..  trans-121.6100.6-170.9-31118.2000111.4S11 F20 L66 M108S11-W39 PolarHBondContact OG-N 3.41Å; F20-W39 WeakPolarHBondContact CE2-O 3.27Å; W39-L66 HydrophobicContact CE3-CD1 4Å; W39-L66 HydrophobicContact CE3-CD2 4.27Å; W39-L66 HydrophobicContact CE3-CG 3.99Å; W39-L66 HydrophobicContact CH2-CD1 3.96Å; W39-L66 HydrophobicContact CH2-CD2 3.39Å; W39-L66 HydrophobicContact CH2-CG 3.95Å; W39-L66 HydrophobicContact CZ3-CD1 3.61Å; W39-L66 HydrophobicContact CZ3-CD2 3.17Å; W39-L66 HydrophobicContact CZ3-CG 3.34Å; W39-M108 HydrophobicContact CH2-CE 4.21Å; W39-M108 HydrophobicContact CH2-SD 4.25Å; W39-M108 HydrophobicContact CZ3-SD 4.2Å
40L92.7Very high95.7Very high2 Ų247.8 Ų47.81%0.0123%0.232CC..  trans-133.7-3.9177.772.8153.8000114.7F20 A37 D42 S43 L48 I62 Y96 L100F20-L40 HydrophobicContact CE1-CB 4.46Å; F20-L40 HydrophobicContact CZ-CB 4.39Å; A37-L40 HydrophobicContact CB-CB 4.42Å; A37-L40 HydrophobicContact CB-CD2 4.17Å; L40-D42 VanDerWaalsContact C-N 3.29Å; L40-D42 PolarHBondContact O-N 3.44Å; L40-S43 VanDerWaalsContact O-CB 3.31Å; L40-S43 WeakPolarHBondContact O-CB 3.31Å; L40-S43 PolarHBondContact O-N 2.79Å; L40-S43 VanDerWaalsContact O-N 3.08Å; L40-L48 HydrophobicContact CB-CD1 4.44Å; L40-L48 HydrophobicContact CD1-CD1 3.98Å; L40-I62 HydrophobicContact CD1-CG2 4.03Å; L40-I62 HydrophobicContact CD2-CB 3.85Å; L40-I62 HydrophobicContact CD2-CG2 3.67Å; L40-Y96 HydrophobicContact CD1-CD1 3.48Å; L40-Y96 VanDerWaalsContact CD1-CD1 3.48Å; L40-Y96 HydrophobicContact CD1-CE1 4.1Å; L40-Y96 HydrophobicContact CD1-CG 4.45Å; L40-Y96 HydrophobicContact CG-CD1 3.94Å; L40-Y96 HydrophobicContact CG-CE1 4.26Å; L40-L100 HydrophobicContact CD1-CD1 3.6Å
41Y93.3Very high95.7Very high42 Ų4246.4 Ų46.417%0.16522%0.221CC..THydrogen-bonded Turntrans-72.4-19.5-170.9-61.7-68.5000114.4N63 P65 L92 A93 Y96Y41-N63 WeakPolarHBondContact CE2-O 3.43Å; Y41-N63 VanDerWaalsContact CZ-O 3.29Å; Y41-N63 PolarHBondContact OH-O 3.04Å; Y41-P65 HydrophobicContact CD2-CB 4.34Å; Y41-P65 HydrophobicContact CD2-CG 4.1Å; Y41-P65 HydrophobicContact CE1-CG 4.2Å; Y41-P65 HydrophobicContact CE2-CB 4.25Å; Y41-P65 HydrophobicContact CE2-CG 3.77Å; Y41-P65 HydrophobicContact CG-CG 4.45Å; Y41-L92 HydrophobicContact CD1-CD2 3.86Å; Y41-L92 HydrophobicContact CD1-CG 3.9Å; Y41-L92 HydrophobicContact CE1-CD2 4.26Å; Y41-L92 HydrophobicContact CE1-CG 3.95Å; Y41-L92 HydrophobicContact CG-CD2 4.4Å; Y41-A93 WeakPolarHBondContact OH-CA 3.23Å; Y41-A93 VanDerWaalsContact OH-CB 3.29Å; Y41-A93 WeakPolarHBondContact OH-CB 3.22Å; Y41-Y96 HydrophobicContact CD1-CD1 4.35Å; Y41-Y96 AromaticContact CD1-CD2 3.97Å; Y41-Y96 HydrophobicContact CD1-CD2 3.97Å; Y41-Y96 HydrophobicContact CD1-CE1 4.29Å; Y41-Y96 AromaticContact CD1-CE2 3.93Å; Y41-Y96 HydrophobicContact CD1-CE2 3.93Å; Y41-Y96 HydrophobicContact CD1-CG 4.19Å; Y41-Y96 HydrophobicContact CE1-CD1 4.44Å; Y41-Y96 AromaticContact CE1-CD2 3.98Å; Y41-Y96 HydrophobicContact CE1-CD2 3.98Å; Y41-Y96 HydrophobicContact CE1-CE2 4.41Å; Y41-Y96 HydrophobicContact CE1-CG 4Å; Y41-Y96 PolarHBondContact O-OH 3.39Å
42D91.9Very high95.7Very high175 Ų17547.3 Ų47.394%0.93622%0.223SC*.THydrogen-bonded Turntrans-79.5-9.7172.7-63.7-34.2000112.5L40L40-D42 VanDerWaalsContact C-N 3.29Å; L40-D42 PolarHBondContact O-N 3.44Å
43S93.3Very high95.7Very high23 Ų2352.9 Ų52.916%0.16125%0.253CS..SBendtrans-88.1145.8177.7-58.30000111.4F20 L40 L45 Y96F20-S43 WeakPolarHBondContact CB-OG 3.44Å; L40-S43 VanDerWaalsContact O-CB 3.31Å; L40-S43 WeakPolarHBondContact O-CB 3.31Å; L40-S43 PolarHBondContact O-N 2.79Å; L40-S43 VanDerWaalsContact O-N 3.08Å; S43-L45 PolarHBondContact O-N 3.5Å; S43-Y96 PolarHBondContact O-OH 3.4Å; S43-Y96 VanDerWaalsContact O-OH 3.05Å
44D95.3Very high95.7Very high99 Ų9952.6 Ų52.653%0.52926%0.263SS..  trans-65124.4172.6-179.9-92.2000111.1Q46 E47 L48D44-Q46 PolarHBondContact O-N 3.11Å; D44-Q46 WeakPolarHBondContact OD1-CA 3.43Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.01Å; D44-Q46 PolarHBondContact OD1-N 3.4Å; D44-E47 HydrophobicContact CB-CB 4.08Å; D44-E47 PolarHBondContact O-N 3.38Å; D44-E47 PolarHBondContact OD1-N 2.97Å; D44-L48 WeakPolarHBondContact O-CG 3.47Å; D44-L48 PolarHBondContact O-N 2.94Å
45L96.3Very high95.7Very high27 Ų2754.3 Ų54.314%0.14127%0.273CS..Hα-helixtrans-67-34.7-174.1-17654.5000113.1S43 E47 L48 Q49 Q95 Y96 A99 L100S43-L45 PolarHBondContact O-N 3.5Å; L45-E47 VanDerWaalsContact C-N 3.34Å; L45-L48 PolarHBondContact O-N 3.26Å; L45-Q49 PolarHBondContact O-N 3.11Å; L45-Q95 HydrophobicContact CD2-CG 4.11Å; L45-Y96 HydrophobicContact CB-CE1 4.33Å; L45-Y96 HydrophobicContact CD1-CD1 3.56Å; L45-Y96 HydrophobicContact CD1-CD2 4.4Å; L45-Y96 HydrophobicContact CD1-CE1 3.81Å; L45-Y96 HydrophobicContact CD1-CG 3.9Å; L45-Y96 HydrophobicContact CD2-CD2 4.18Å; L45-Y96 HydrophobicContact CD2-CE2 4.23Å; L45-Y96 HydrophobicContact CD2-CG 4.44Å; L45-A99 HydrophobicContact CD1-CB 3.65Å; L45-A99 HydrophobicContact CD2-CB 3.73Å; L45-A99 HydrophobicContact CG-CB 3.82Å; L45-L100 HydrophobicContact CD1-CD2 4.37Å; L45-L100 HydrophobicContact CD1-CG 4.26Å
46Q97Very high95.6Very high150 Ų15057 Ų5770%0.70130%0.301SS*.Hα-helixtrans-69.3-39.1178.8-61.2-177.1800110.4D44 Q49 R50D44-Q46 PolarHBondContact O-N 3.11Å; D44-Q46 WeakPolarHBondContact OD1-CA 3.43Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.01Å; D44-Q46 PolarHBondContact OD1-N 3.4Å; Q46-Q49 WeakPolarHBondContact O-CB 3.36Å; Q46-Q49 PolarHBondContact O-N 3.48Å; Q46-R50 WeakPolarHBondContact O-CB 3.39Å; Q46-R50 PolarHBondContact O-N 2.88Å
47E97.1Very high95.6Very high64 Ų6457.2 Ų57.230%0.29930%0.302SS..Hα-helixtrans-67.2-41.1176-17562.5-17100111.7T21 D44 L45 Q49 R50 V51T21-E47 HydrophobicContact CG2-CB 4.5Å; T21-E47 HydrophobicContact CG2-CG 3.65Å; D44-E47 HydrophobicContact CB-CB 4.08Å; D44-E47 PolarHBondContact O-N 3.38Å; D44-E47 PolarHBondContact OD1-N 2.97Å; L45-E47 VanDerWaalsContact C-N 3.34Å; E47-Q49 VanDerWaalsContact C-N 3.34Å; E47-Q49 PolarHBondContact O-N 3.17Å; E47-R50 WeakPolarHBondContact O-CB 3.31Å; E47-R50 PolarHBondContact O-N 3.5Å; E47-R50 IonicContact OE1-CZ 3.66Å; E47-R50 IonicContact OE1-NE 3.27Å; E47-R50 PolarHBondContact OE1-NE 3.46Å; E47-R50 IonicContact OE1-NH2 3.72Å; E47-R50 PolarHBondContact OE1-NH2 2.75Å; E47-R50 IonicContact OE2-CZ 3.2Å; E47-R50 IonicContact OE2-NE 2.78Å; E47-R50 PolarHBondContact OE2-NE 2.98Å; E47-R50 IonicContact OE2-NH2 3.95Å; E47-V51 WeakPolarHBondContact O-CG2 3.49Å; E47-V51 PolarHBondContact O-N 2.99Å
48L97.1Very high95.6Very high2 Ų260.3 Ų60.31%0.0132%0.319CS..Hα-helixtrans-58.6-45172.4-69.6176.8000111.8F20 T21 I24 L40 D44 L45 V51 K52 Y96 L100F20-L48 HydrophobicContact CD1-CD2 3.55Å; F20-L48 HydrophobicContact CE1-CD2 4.22Å; F20-L48 HydrophobicContact CG-CD2 4.46Å; T21-L48 HydrophobicContact CG2-CD2 4.04Å; I24-L48 HydrophobicContact CD1-CD2 3.94Å; L40-L48 HydrophobicContact CB-CD1 4.44Å; L40-L48 HydrophobicContact CD1-CD1 3.98Å; D44-L48 WeakPolarHBondContact O-CG 3.47Å; D44-L48 PolarHBondContact O-N 2.94Å; L45-L48 PolarHBondContact O-N 3.26Å; L48-V51 PolarHBondContact O-N 3.37Å; L48-K52 VanDerWaalsContact O-CB 3.32Å; L48-K52 WeakPolarHBondContact O-CB 3.46Å; L48-K52 PolarHBondContact O-N 3.11Å; L48-Y96 HydrophobicContact CD1-CD1 4.28Å; L48-Y96 HydrophobicContact CD1-CE1 3.93Å; L48-L100 HydrophobicContact CB-CD2 3.8Å; L48-L100 HydrophobicContact CD1-CD1 4.47Å
49Q97.3Very high95.9Very high69 Ų6960.9 Ų60.932%0.32232%0.322SS..Hα-helixtrans-60.2-46.7174.5-81.8-175.2-26.800112.1L45 Q46 E47 V51 K52 N53 A99 L100L45-Q49 PolarHBondContact O-N 3.11Å; Q46-Q49 WeakPolarHBondContact O-CB 3.36Å; Q46-Q49 PolarHBondContact O-N 3.48Å; E47-Q49 VanDerWaalsContact C-N 3.34Å; E47-Q49 PolarHBondContact O-N 3.17Å; Q49-V51 VanDerWaalsContact C-N 3.31Å; Q49-V51 PolarHBondContact O-N 3.18Å; Q49-K52 PolarHBondContact O-N 2.94Å; Q49-N53 WeakPolarHBondContact O-CB 3.24Å; Q49-N53 PolarHBondContact O-N 3.4Å; Q49-N53 PolarHBondContact O-ND2 2.78Å; Q49-A99 HydrophobicContact CG-CB 4.18Å; Q49-A99 VanDerWaalsContact CG-O 3.28Å; Q49-A99 WeakPolarHBondContact CG-O 3.32Å; Q49-A99 VanDerWaalsContact NE2-C 3.33Å; Q49-A99 PolarHBondContact NE2-O 2.86Å; Q49-L100 HydrophobicContact CG-CD2 4.17Å
50R98Very high96.5Very high119 Ų11955.9 Ų55.945%0.44930%0.304SS..Hα-helixtrans-57.8-46.9179.6-170.3-167.670.272.3-0.4110.6Y25 Q46 E47 N53 A54Y25-R50 PolarHBondContact OH-NH1 3.41Å; Q46-R50 WeakPolarHBondContact O-CB 3.39Å; Q46-R50 PolarHBondContact O-N 2.88Å; E47-R50 WeakPolarHBondContact O-CB 3.31Å; E47-R50 PolarHBondContact O-N 3.5Å; E47-R50 IonicContact OE1-CZ 3.66Å; E47-R50 IonicContact OE1-NE 3.27Å; E47-R50 PolarHBondContact OE1-NE 3.46Å; E47-R50 IonicContact OE1-NH2 3.72Å; E47-R50 PolarHBondContact OE1-NH2 2.75Å; E47-R50 IonicContact OE2-CZ 3.2Å; E47-R50 IonicContact OE2-NE 2.78Å; E47-R50 PolarHBondContact OE2-NE 2.98Å; E47-R50 IonicContact OE2-NH2 3.95Å; R50-N53 PolarHBondContact O-N 3.34Å; R50-A54 VanDerWaalsContact O-CB 3.31Å; R50-A54 WeakPolarHBondContact O-CB 3.33Å; R50-A54 PolarHBondContact O-N 3.26Å
51V97.6Very high96.8Very high0 Ų055.8 Ų55.80%030%0.303CS..Hα-helixtrans-70.8-43.6-178.4175.20000111.5T21 I24 Y25 E47 L48 Q49 N53 A54 T55T21-V51 HydrophobicContact CG2-CG2 4.17Å; I24-V51 HydrophobicContact CB-CG1 3.75Å; I24-V51 HydrophobicContact CD1-CG1 4.24Å; I24-V51 HydrophobicContact CG2-CG1 3.72Å; Y25-V51 HydrophobicContact CD2-CG1 3.73Å; Y25-V51 HydrophobicContact CD2-CG2 4.44Å; Y25-V51 HydrophobicContact CE1-CG1 4.34Å; Y25-V51 HydrophobicContact CE2-CB 4.17Å; Y25-V51 HydrophobicContact CE2-CG1 3.52Å; Y25-V51 HydrophobicContact CE2-CG2 3.6Å; Y25-V51 HydrophobicContact CG-CG1 4.25Å; E47-V51 WeakPolarHBondContact O-CG2 3.49Å; E47-V51 PolarHBondContact O-N 2.99Å; L48-V51 PolarHBondContact O-N 3.37Å; Q49-V51 VanDerWaalsContact C-N 3.31Å; Q49-V51 PolarHBondContact O-N 3.18Å; V51-N53 VanDerWaalsContact C-N 3.29Å; V51-N53 PolarHBondContact O-N 3.05Å; V51-A54 PolarHBondContact O-N 3.08Å; V51-A54 VanDerWaalsContact O-N 3.16Å; V51-T55 HydrophobicContact CG1-CG2 4.26Å; V51-T55 WeakPolarHBondContact O-CG2 3.33Å; V51-T55 PolarHBondContact O-N 3.47Å; V51-T55 PolarHBondContact O-OG1 3.08Å
52K96.9Very high97.1Very high25 Ų2553.8 Ų53.811%0.10930%0.295CS..Hα-helixtrans-51.8-49.5172-175.1-151.4173.8-136.80111.1L48 Q49 T55 G56 V57 V59 L100L48-K52 VanDerWaalsContact O-CB 3.32Å; L48-K52 WeakPolarHBondContact O-CB 3.46Å; L48-K52 PolarHBondContact O-N 3.11Å; Q49-K52 PolarHBondContact O-N 2.94Å; K52-T55 PolarHBondContact O-N 3.42Å; K52-T55 PolarHBondContact O-OG1 3.24Å; K52-G56 WeakPolarHBondContact O-CA 3.41Å; K52-G56 PolarHBondContact O-N 3.35Å; K52-V57 WeakPolarHBondContact CG-O 3.44Å; K52-V59 HydrophobicContact CD-CG2 4.43Å; K52-V59 HydrophobicContact CG-CG2 4.31Å; K52-L100 VanDerWaalsContact CD-O 3.31Å; K52-L100 WeakPolarHBondContact CD-O 3.31Å; K52-L100 WeakPolarHBondContact CE-O 3.45Å; K52-L100 PolarHBondContact NZ-O 2.94Å
53N97.4Very high97.4Very high120 Ų12046 Ų4664%0.64225%0.254SS*.Hα-helixtrans-67.9-36.4-179.5-68.4-21.1000112.5Q49 R50 V51Q49-N53 WeakPolarHBondContact O-CB 3.24Å; Q49-N53 PolarHBondContact O-N 3.4Å; Q49-N53 PolarHBondContact O-ND2 2.78Å; R50-N53 PolarHBondContact O-N 3.34Å; V51-N53 VanDerWaalsContact C-N 3.29Å; V51-N53 PolarHBondContact O-N 3.05Å
54A97.9Very high97.6Very high66 Ų6645 Ų4555%0.54525%0.247SC..Hα-helixtrans-69.8-33.4178.900000113Y25 R50 V51Y25-A54 HydrophobicContact CE1-CB 4.46Å; R50-A54 VanDerWaalsContact O-CB 3.31Å; R50-A54 WeakPolarHBondContact O-CB 3.33Å; R50-A54 PolarHBondContact O-N 3.26Å; V51-A54 PolarHBondContact O-N 3.08Å; V51-A54 VanDerWaalsContact O-N 3.16Å
55T97.9Very high97.7Very high36 Ų3641.7 Ų41.722%0.22123%0.231CC..Hα-helixtrans-91.8-22.7179.258.90000113.2I24 Y25 A28 V51 K52 V57I24-T55 HydrophobicContact CG2-CG2 4.37Å; Y25-T55 HydrophobicContact CD1-CG2 3.33Å; Y25-T55 HydrophobicContact CE1-CG2 3.52Å; Y25-T55 HydrophobicContact CG-CG2 4.12Å; A28-T55 HydrophobicContact CB-CG2 3.97Å; V51-T55 HydrophobicContact CG1-CG2 4.26Å; V51-T55 WeakPolarHBondContact O-CG2 3.33Å; V51-T55 PolarHBondContact O-N 3.47Å; V51-T55 PolarHBondContact O-OG1 3.08Å; K52-T55 PolarHBondContact O-N 3.42Å; K52-T55 PolarHBondContact O-OG1 3.24Å; T55-V57 PolarHBondContact O-N 3.09Å; T55-V57 WeakPolarHBondContact OG1-CG2 3.4Å; T55-V57 PolarHBondContact OG1-N 3.41Å
56G97.3Very high97.6Very high59 Ų5942.1 Ų42.161%0.60823%0.233SC*.THydrogen-bonded Turntrans71.714.4-174.800000113.9K52K52-G56 WeakPolarHBondContact O-CA 3.41Å; K52-G56 PolarHBondContact O-N 3.35Å
57V97.8Very high97.5Very high4 Ų436.8 Ų36.82%0.02422%0.218CC..  trans-80.9142.3177.4-59.10000111.4I24 A28 Q33 V35 K52 T55I24-V57 HydrophobicContact CG2-CG2 3.48Å; I24-V57 VanDerWaalsContact CG2-CG2 3.48Å; A28-V57 HydrophobicContact CB-CG1 3.66Å; Q33-V57 CarbonylContact O-C 3.52Å; Q33-V57 VanDerWaalsContact O-CA 3.31Å; Q33-V57 WeakPolarHBondContact O-CA 3.5Å; V35-V57 HydrophobicContact CG1-CG2 4.44Å; V35-V57 HydrophobicContact CG2-CG2 4.38Å; K52-V57 WeakPolarHBondContact CG-O 3.44Å; T55-V57 PolarHBondContact O-N 3.09Å; T55-V57 WeakPolarHBondContact OG1-CG2 3.4Å; T55-V57 PolarHBondContact OG1-N 3.41Å
58D98.1Very high97.3Very high70 Ų7037.7 Ų37.737%0.37423%0.225SC..EExtended strand (participates in β ladder)trans-80.4139.5173.7-68.5-36.6000110.9Q33 A34 V35 V60Q33-D58 PolarHBondContact O-N 3.43Å; A34-D58 CarbonylContact C-O 3.59Å; A34-D58 VanDerWaalsContact CA-O 3.22Å; A34-D58 WeakPolarHBondContact CA-O 3.39Å; A34-D58 HydrophobicContact CB-CB 4.24Å; V35-D58 PolarHBondContact N-O 3.36Å; D58-V60 HydrophobicContact CB-CG1 3.84Å
59V98.4Very high97Very high14 Ų1440.7 Ų40.79%0.08525%0.25CC..EExtended strand (participates in β ladder)trans-94110.1165.2-177.80000106.7V35 K52 I62 L100 C102V35-V59 HydrophobicContact CG2-CG2 4.05Å; V35-V59 CarbonylContact O-C 3.51Å; V35-V59 WeakPolarHBondContact O-CA 3.33Å; K52-V59 HydrophobicContact CD-CG2 4.43Å; K52-V59 HydrophobicContact CG-CG2 4.31Å; V59-I62 HydrophobicContact CG1-CG2 3.87Å; V59-L100 HydrophobicContact CB-CB 4.13Å; V59-L100 HydrophobicContact CG1-CB 4.45Å; V59-L100 HydrophobicContact CG1-CD1 4.32Å; V59-L100 HydrophobicContact CG2-CB 4.11Å; V59-L100 HydrophobicContact CG2-CD1 4.41Å; V59-C102 HydrophobicContact CB-CB 4.32Å; V59-C102 HydrophobicContact CG1-CB 4.08Å; V59-C102 VanDerWaalsContact O-CA 3.27Å; V59-C102 WeakPolarHBondContact O-CA 3.37Å; V59-C102 WeakPolarHBondContact O-CB 3.39Å; V59-C102 PolarHBondContact O-SG 3.39Å; V59-C102 VanDerWaalsContact O-SG 3.4Å
60V98.4Very high96.7Very high7 Ų747.2 Ų47.24%0.04228%0.277CS..EExtended strand (participates in β ladder)trans-102.6-17.1-166-62.70000114.7C7 A34 V35 E36 D58 R104 Y245C7-V60 HydrophobicContact CB-CG2 3.69Å; C7-V60 VanDerWaalsContact SG-CG2 3.53Å; A34-V60 HydrophobicContact CB-CG1 3.6Å; A34-V60 HydrophobicContact CB-CG2 4.29Å; V35-V60 WeakPolarHBondContact O-CG2 3.21Å; V35-V60 PolarHBondContact O-N 2.89Å; E36-V60 HydrophobicContact CB-CG2 4.37Å; D58-V60 HydrophobicContact CB-CG1 3.84Å; V60-R104 WeakPolarHBondContact O-CB 3.46Å; V60-R104 PolarHBondContact O-NH1 2.81Å; V60-Y245 HydrophobicContact CB-CD2 4.21Å; V60-Y245 HydrophobicContact CG1-CD2 3.64Å; V60-Y245 HydrophobicContact CG1-CE2 3.76Å; V60-Y245 HydrophobicContact CG1-CG 4.21Å; V60-Y245 HydrophobicContact CG2-CD2 4.49Å; V60-Y245 HydrophobicContact CG2-CG 4.4Å
61L98.8Very high96.4Very high1 Ų144.9 Ų44.91%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-156.6135.5177.4172.264.3000110.8E36 A37 R104 H106 L148 Q184 H210E36-L61 WeakPolarHBondContact CA-O 3.43Å; E36-L61 HydrophobicContact CB-CB 3.81Å; E36-L61 HydrophobicContact CB-CG 4.48Å; A37-L61 PolarHBondContact N-O 3.32Å; L61-R104 HydrophobicContact CD1-CB 3.96Å; L61-H106 HydrophobicContact CD1-CB 4.09Å; L61-L148 HydrophobicContact CD1-CD1 3.66Å; L61-Q184 VanDerWaalsContact CD2-OE1 3.23Å; L61-H210 VanDerWaalsContact CD2-CD2 3.44Å; L61-H210 WeakPolarHBondContact CD2-CD2 3.17Å
62I98.7Very high96.1Very high0 Ų045.8 Ų45.80%029%0.293CS..EExtended strand (participates in β ladder)trans-130159.7163.963174.1000111.2A37 L40 V59 A93 A97 R104 I105 H106A37-I62 VanDerWaalsContact O-CA 3.26Å; A37-I62 WeakPolarHBondContact O-CA 3.1Å; L40-I62 HydrophobicContact CD1-CG2 4.03Å; L40-I62 HydrophobicContact CD2-CB 3.85Å; L40-I62 HydrophobicContact CD2-CG2 3.67Å; V59-I62 HydrophobicContact CG1-CG2 3.87Å; I62-A93 WeakPolarHBondContact CD1-O 3.35Å; I62-A97 HydrophobicContact CD1-CB 4.04Å; I62-R104 PolarHBondContact N-O 3.09Å; I62-I105 HydrophobicContact CD1-CG1 4.5Å; I62-I105 HydrophobicContact CG1-CG1 4.08Å; I62-I105 CarbonylContact O-C 3.51Å; I62-I105 VanDerWaalsContact O-CA 3.23Å; I62-I105 WeakPolarHBondContact O-CA 3.45Å; I62-H106 PolarHBondContact O-N 3.03Å
63N98.6Very high96.1Very high11 Ų1145.9 Ų45.96%0.05929%0.294CS..EExtended strand (participates in β ladder)trans-97.8153.7174.5-65.210000111A37 Y41 H106 M108A37-N63 PolarHBondContact O-N 3.16Å; Y41-N63 WeakPolarHBondContact CE2-O 3.43Å; Y41-N63 VanDerWaalsContact CZ-O 3.29Å; Y41-N63 PolarHBondContact OH-O 3.04Å; N63-H106 CarbonylContact C-O 3.6Å; N63-H106 WeakPolarHBondContact CA-O 3.44Å; N63-H106 WeakPolarHBondContact OD1-CB 3.46Å; N63-M108 HydrophobicContact CB-CG 4.17Å; N63-M108 HydrophobicContact CB-SD 3.96Å
64T98.3Very high96Very high3 Ų341.6 Ų41.62%0.01827%0.271CS..PPolyproline II helixtrans-58.5151.5160.351.60000110.9A93 I105 H106 L107 M108T64-A93 HydrophobicContact CG2-CB 4.25Å; T64-I105 HydrophobicContact CG2-CG2 3.92Å; T64-H106 PolarHBondContact N-O 3.4Å; T64-H106 PolarHBondContact OG1-O 2.82Å; T64-L107 HydrophobicContact CG2-CD2 3.66Å; T64-M108 PolarHBondContact OG1-N 2.95Å; T64-M108 VanDerWaalsContact OG1-N 3.09Å
65P96.3Very high96Very high29 Ų2938.5 Ų38.519%0.18825%0.245CC..PPolyproline II helixtrans-54.1151.6174.6-23.933.1000112.9Y41 G67 G89 L92Y41-P65 HydrophobicContact CD2-CB 4.34Å; Y41-P65 HydrophobicContact CD2-CG 4.1Å; Y41-P65 HydrophobicContact CE1-CG 4.2Å; Y41-P65 HydrophobicContact CE2-CB 4.25Å; Y41-P65 HydrophobicContact CE2-CG 3.77Å; Y41-P65 HydrophobicContact CG-CG 4.45Å; P65-G67 VanDerWaalsContact C-N 3.26Å; P65-G67 PolarHBondContact O-N 2.94Å; P65-G89 WeakPolarHBondContact CD-O 3.14Å; P65-L92 HydrophobicContact CG-CB 4.46Å; P65-L92 HydrophobicContact CG-CD2 3.92Å; P65-L92 HydrophobicContact CG-CG 4.47Å
66L94.8Very high96Very high36 Ų3637.2 Ų37.219%0.18824%0.237CC..  trans-66.9-23.2-177.7-69.3-179.4000114.4W39 A69 D73 L74 G75 M108W39-L66 HydrophobicContact CE3-CD1 4Å; W39-L66 HydrophobicContact CE3-CD2 4.27Å; W39-L66 HydrophobicContact CE3-CG 3.99Å; W39-L66 HydrophobicContact CH2-CD1 3.96Å; W39-L66 HydrophobicContact CH2-CD2 3.39Å; W39-L66 HydrophobicContact CH2-CG 3.95Å; W39-L66 HydrophobicContact CZ3-CD1 3.61Å; W39-L66 HydrophobicContact CZ3-CD2 3.17Å; W39-L66 HydrophobicContact CZ3-CG 3.34Å; L66-A69 HydrophobicContact CD1-CB 4.41Å; L66-D73 WeakPolarHBondContact O-CB 3.42Å; L66-L74 HydrophobicContact CD1-CD1 4.38Å; L66-L74 HydrophobicContact CD2-CD1 3.62Å; L66-L74 HydrophobicContact CD2-CG 4.18Å; L66-G75 WeakPolarHBondContact O-CA 3.19Å; L66-G75 PolarHBondContact O-N 3.24Å; L66-M108 HydrophobicContact CD2-CE 3.75Å; L66-M108 HydrophobicContact CD2-SD 3.62Å
67G94.4Very high96.1Very high38 Ų3834.4 Ų34.439%0.39221%0.208SC..SBendtrans88.4-147.7-158.800000110.8P65 A69P65-G67 VanDerWaalsContact C-N 3.26Å; P65-G67 PolarHBondContact O-N 2.94Å; G67-A69 PolarHBondContact O-N 3.4Å
68D93.6Very high96.1Very high83 Ų8334.2 Ų34.244%0.44421%0.207SC..  trans-85.195176.3-175-9.2000110.7K70 A71 G72 D73D68-K70 PolarHBondContact O-N 3.17Å; D68-K70 WeakPolarHBondContact OD1-CA 3.38Å; D68-K70 WeakPolarHBondContact OD1-CB 3.32Å; D68-K70 PolarHBondContact OD1-N 3.46Å; D68-A71 HydrophobicContact CB-CB 3.8Å; D68-A71 CarbonylContact O-C 3.59Å; D68-A71 PolarHBondContact O-N 3.2Å; D68-A71 VanDerWaalsContact O-N 3.08Å; D68-A71 PolarHBondContact OD1-N 3.38Å; D68-A71 VanDerWaalsContact OD1-N 3.08Å; D68-G72 PolarHBondContact O-N 3.1Å; D68-G72 VanDerWaalsContact O-N 3.13Å; D68-D73 PolarHBondContact N-OD2 3.27Å; D68-D73 WeakPolarHBondContact O-CB 3.27Å; D68-D73 PolarHBondContact O-N 3.43Å
69A90.4Very high96.1Very high64 Ų6431.8 Ų31.853%0.52920%0.195SC..THydrogen-bonded Turntrans-58.3-29176.200000113.3L66 G67 G72L66-A69 HydrophobicContact CD1-CB 4.41Å; G67-A69 PolarHBondContact O-N 3.4Å; A69-G72 PolarHBondContact O-N 3.3Å; A69-G72 VanDerWaalsContact O-N 3.15Å
70K91.1Very high96Very high206 Ų20632.6 Ų32.690%0.89620%0.2SC*.THydrogen-bonded Turntrans-74.6-32.5177.1-63.3179.9-179.6174.40111.5D68 G72D68-K70 PolarHBondContact O-N 3.17Å; D68-K70 WeakPolarHBondContact OD1-CA 3.38Å; D68-K70 WeakPolarHBondContact OD1-CB 3.32Å; D68-K70 PolarHBondContact OD1-N 3.46Å; K70-G72 PolarHBondContact O-N 3.48Å
71A90.9Very high95.9Very high71 Ų7135.1 Ų35.159%0.58723%0.228SC*.THydrogen-bonded Turntrans-74.7-6.8169.200000112.8D68D68-A71 HydrophobicContact CB-CB 3.8Å; D68-A71 CarbonylContact O-C 3.59Å; D68-A71 PolarHBondContact O-N 3.2Å; D68-A71 VanDerWaalsContact O-N 3.08Å; D68-A71 PolarHBondContact OD1-N 3.38Å; D68-A71 VanDerWaalsContact OD1-N 3.08Å
72G92.3Very high95.9Very high18 Ų1838.2 Ų38.219%0.18624%0.24CC..THydrogen-bonded Turntrans85.224.1178.700000113.6D68 A69 K70 R111D68-G72 PolarHBondContact O-N 3.1Å; D68-G72 VanDerWaalsContact O-N 3.13Å; A69-G72 PolarHBondContact O-N 3.3Å; A69-G72 VanDerWaalsContact O-N 3.15Å; K70-G72 PolarHBondContact O-N 3.48Å; G72-R111 VanDerWaalsContact C-NH1 3.35Å; G72-R111 VanDerWaalsContact O-CD 3.23Å; G72-R111 WeakPolarHBondContact O-CD 3.31Å; G72-R111 PolarHBondContact O-NH1 2.91Å
73D95.6Very high95.9Very high27 Ų2740.8 Ų40.814%0.14425%0.252CS..  trans-66.5151.6169.3-66.5-21.5000110.5L66 D68 L76 R82 R111L66-D73 WeakPolarHBondContact O-CB 3.42Å; D68-D73 PolarHBondContact N-OD2 3.27Å; D68-D73 WeakPolarHBondContact O-CB 3.27Å; D68-D73 PolarHBondContact O-N 3.43Å; D73-L76 HydrophobicContact CB-CD2 4.24Å; D73-R82 IonicContact OD1-NH1 3.22Å; D73-R82 IonicContact OD2-CZ 2.72Å; D73-R82 IonicContact OD2-NH1 3.82Å; D73-R82 PolarHBondContact OD2-NH1 3.22Å; D73-R82 IonicContact OD2-NH2 3.48Å; D73-R111 PolarHBondContact O-NH1 3.03Å
74L96.7Very high95.8Very high31 Ų3146.7 Ų46.716%0.16228%0.279CS..SBendtrans-146.154.7172.3-165.576.4000110L66 M108 G110 R111 D158 Y161L66-L74 HydrophobicContact CD1-CD1 4.38Å; L66-L74 HydrophobicContact CD2-CD1 3.62Å; L66-L74 HydrophobicContact CD2-CG 4.18Å; L74-M108 HydrophobicContact CD1-CE 4.34Å; L74-M108 HydrophobicContact CG-CE 3.91Å; L74-G110 WeakPolarHBondContact O-CA 3.37Å; L74-G110 PolarHBondContact O-N 2.86Å; L74-R111 HydrophobicContact CB-CG 4.03Å; L74-D158 HydrophobicContact CD2-CB 4.49Å; L74-Y161 HydrophobicContact CD2-CD2 3.92Å; L74-Y161 HydrophobicContact CD2-CE2 4.12Å; L74-Y161 HydrophobicContact CG-CE2 4.46Å; L74-Y161 WeakPolarHBondContact O-CE2 3.49Å
75G97.5Very high95.8Very high0 Ų049.1 Ų49.10%029%0.292CS..BIsolated β-bridgetrans96.9158.5-164.100000111.6L66 G110L66-G75 WeakPolarHBondContact O-CA 3.19Å; L66-G75 PolarHBondContact O-N 3.24Å; G75-G110 WeakPolarHBondContact O-CA 3.24Å
76L98.2Very high95.9Very high9 Ų948 Ų485%0.04728%0.284CS..  trans-130.8-1.1-171.9-63.2177.7000113.1D73 A78 V79 R82 D85 F86 M108D73-L76 HydrophobicContact CB-CD2 4.24Å; L76-A78 VanDerWaalsContact C-N 3.25Å; L76-A78 PolarHBondContact O-N 3.31Å; L76-A78 VanDerWaalsContact O-N 3.16Å; L76-V79 HydrophobicContact CD2-CG2 4.36Å; L76-V79 PolarHBondContact O-N 3.41Å; L76-R82 HydrophobicContact CB-CB 4.46Å; L76-R82 HydrophobicContact CD2-CB 4.22Å; L76-R82 HydrophobicContact CD2-CG 4.34Å; L76-D85 HydrophobicContact CD1-CB 3.71Å; L76-F86 HydrophobicContact CB-CB 4.16Å; L76-M108 PolarHBondContact N-O 3.03Å
77G98.4Very high96.1Very high0 Ų051.3 Ų51.30%029%0.294CS..THydrogen-bonded Turntrans-58.1-35-170.700000114.3F86 M108 A109 F129 N132G77-F86 VanDerWaalsContact CA-CD2 3.43Å; G77-M108 PolarHBondContact N-O 2.93Å; G77-A109 PolarHBondContact N-O 2.89Å; G77-A109 VanDerWaalsContact N-O 3.16Å; G77-F129 VanDerWaalsContact C-CD2 3.47Å; G77-F129 WeakPolarHBondContact O-CA 3.35Å; G77-F129 WeakPolarHBondContact O-CD2 3.19Å; G77-N132 WeakPolarHBondContact O-CB 3.34Å; G77-N132 PolarHBondContact O-ND2 3.41Å
78A98.6Very high96.3Very high0 Ų055.3 Ų55.30%030%0.3CS..THydrogen-bonded Turntrans-109.78.9-177.400000113.2L76 P80 A109 M125 F129 F162L76-A78 VanDerWaalsContact C-N 3.25Å; L76-A78 PolarHBondContact O-N 3.31Å; L76-A78 VanDerWaalsContact O-N 3.16Å; A78-P80 WeakPolarHBondContact O-CD 3.38Å; A78-A109 WeakPolarHBondContact CA-O 3.45Å; A78-A109 HydrophobicContact CB-CB 4.23Å; A78-A109 VanDerWaalsContact CB-O 3.27Å; A78-A109 WeakPolarHBondContact CB-O 3.37Å; A78-A109 PolarHBondContact N-O 3.38Å; A78-M125 HydrophobicContact CB-CB 4.45Å; A78-M125 HydrophobicContact CB-CE 4.16Å; A78-M125 VanDerWaalsContact O-CA 3.31Å; A78-M125 WeakPolarHBondContact O-CA 3.32Å; A78-M125 WeakPolarHBondContact O-CB 3.29Å; A78-M125 WeakPolarHBondContact O-CE 3.42Å; A78-M125 WeakPolarHBondContact O-CG 3.45Å; A78-F129 HydrophobicContact CB-CB 3.61Å; A78-F129 HydrophobicContact CB-CD1 4.31Å; A78-F129 HydrophobicContact CB-CD2 4.15Å; A78-F129 HydrophobicContact CB-CG 3.79Å; A78-F162 HydrophobicContact CB-CB 4.39Å; A78-F162 HydrophobicContact CB-CD1 3.43Å; A78-F162 VanDerWaalsContact CB-CD1 3.43Å; A78-F162 HydrophobicContact CB-CE1 3.86Å; A78-F162 HydrophobicContact CB-CG 3.97Å
79V97.8Very high96.5Very high19 Ų1952 Ų5212%0.11529%0.286CS..  trans-92111.1-173.8-1760000109.5L76 G81 R82L76-V79 HydrophobicContact CD2-CG2 4.36Å; L76-V79 PolarHBondContact O-N 3.41Å; V79-G81 PolarHBondContact O-N 3.21Å; V79-R82 HydrophobicContact CB-CB 4.17Å; V79-R82 HydrophobicContact CB-CG 4.17Å; V79-R82 HydrophobicContact CG1-CB 4.19Å; V79-R82 HydrophobicContact CG1-CG 3.63Å; V79-R82 WeakPolarHBondContact O-CB 3.39Å; V79-R82 PolarHBondContact O-N 3.46Å; V79-R82 VanDerWaalsContact O-N 3.16Å
80P96.9Very high96.9Very high31 Ų3148.9 Ų48.920%0.20126%0.261CS..THydrogen-bonded Turntrans-60.3138.1-176-23.535.1000112A78 R82 E124 M125A78-P80 WeakPolarHBondContact O-CD 3.38Å; P80-R82 VanDerWaalsContact C-N 3.25Å; P80-R82 PolarHBondContact O-N 3.37Å; P80-E124 HydrophobicContact CB-CG 3.97Å; P80-E124 WeakPolarHBondContact CB-OE1 3.48Å; P80-E124 HydrophobicContact CG-CB 4.35Å; P80-E124 HydrophobicContact CG-CG 3.7Å; P80-M125 HydrophobicContact CG-CG 4.19Å
81G96.6Very high97.3Very high61 Ų6143.3 Ų43.363%0.62924%0.24SC*.THydrogen-bonded Turntrans77.43.3-178.100000114.9V79 E83V79-G81 PolarHBondContact O-N 3.21Å; G81-E83 WeakPolarHBondContact CA-OE2 3.39Å; G81-E83 PolarHBondContact N-OE1 2.86Å; G81-E83 PolarHBondContact N-OE2 3.41Å
82R97.6Very high97.6Very high66 Ų6642.9 Ų42.925%0.24923%0.228CC..  trans-112.219.7175.9-57.7-63-59.2-71.60.9112.6D73 L76 V79 P80 E84 D85 F86D73-R82 IonicContact OD1-NH1 3.22Å; D73-R82 IonicContact OD2-CZ 2.72Å; D73-R82 IonicContact OD2-NH1 3.82Å; D73-R82 PolarHBondContact OD2-NH1 3.22Å; D73-R82 IonicContact OD2-NH2 3.48Å; L76-R82 HydrophobicContact CB-CB 4.46Å; L76-R82 HydrophobicContact CD2-CB 4.22Å; L76-R82 HydrophobicContact CD2-CG 4.34Å; V79-R82 HydrophobicContact CB-CB 4.17Å; V79-R82 HydrophobicContact CB-CG 4.17Å; V79-R82 HydrophobicContact CG1-CB 4.19Å; V79-R82 HydrophobicContact CG1-CG 3.63Å; V79-R82 WeakPolarHBondContact O-CB 3.39Å; V79-R82 PolarHBondContact O-N 3.46Å; V79-R82 VanDerWaalsContact O-N 3.16Å; P80-R82 VanDerWaalsContact C-N 3.25Å; P80-R82 PolarHBondContact O-N 3.37Å; R82-E84 PolarHBondContact O-N 3Å; R82-D85 IonicContact CZ-OD2 2.68Å; R82-D85 VanDerWaalsContact CZ-OD2 3.22Å; R82-D85 IonicContact NE-OD2 3.37Å; R82-D85 PolarHBondContact NE-OD2 2.86Å; R82-D85 IonicContact NH2-OD2 3.61Å; R82-D85 PolarHBondContact NH2-OD2 2.9Å; R82-D85 PolarHBondContact O-N 3.26Å; R82-D85 VanDerWaalsContact O-N 3.16Å; R82-F86 PolarHBondContact O-N 3.13Å
83E98.4Very high97.9Very high54 Ų5442 Ų4225%0.25222%0.219SC..Hα-helixtrans-62-41.9-175.6-56.481.8178.500111.9G81 D85 F86 R87 T128G81-E83 WeakPolarHBondContact CA-OE2 3.39Å; G81-E83 PolarHBondContact N-OE1 2.86Å; G81-E83 PolarHBondContact N-OE2 3.41Å; E83-D85 VanDerWaalsContact C-N 3.33Å; E83-D85 PolarHBondContact O-N 3.21Å; E83-F86 PolarHBondContact O-N 2.99Å; E83-R87 VanDerWaalsContact O-CG 3.32Å; E83-R87 WeakPolarHBondContact O-CG 3.32Å; E83-R87 PolarHBondContact O-N 3.04Å; E83-T128 HydrophobicContact CG-CG2 4.08Å
84E98.4Very high98Very high134 Ų13441.6 Ų41.663%0.62622%0.217SC*.Hα-helixtrans-65.7-36.6176.2-71.6-150.414300112.5R82 R87 K88R82-E84 PolarHBondContact O-N 3Å; E84-R87 PolarHBondContact O-N 3Å; E84-K88 WeakPolarHBondContact O-CG 3.43Å; E84-K88 PolarHBondContact O-N 3.16Å
85D98.2Very high98Very high55 Ų5545.4 Ų45.429%0.29423%0.234SC..Hα-helixtrans-71.6-36.6178-69.1-20.9000111.4L76 R82 E83 R87 K88 G89L76-D85 HydrophobicContact CD1-CB 3.71Å; R82-D85 IonicContact CZ-OD2 2.68Å; R82-D85 VanDerWaalsContact CZ-OD2 3.22Å; R82-D85 IonicContact NE-OD2 3.37Å; R82-D85 PolarHBondContact NE-OD2 2.86Å; R82-D85 IonicContact NH2-OD2 3.61Å; R82-D85 PolarHBondContact NH2-OD2 2.9Å; R82-D85 PolarHBondContact O-N 3.26Å; R82-D85 VanDerWaalsContact O-N 3.16Å; E83-D85 VanDerWaalsContact C-N 3.33Å; E83-D85 PolarHBondContact O-N 3.21Å; D85-R87 VanDerWaalsContact C-N 3.35Å; D85-K88 PolarHBondContact O-N 3.18Å; D85-K88 IonicContact OD1-NZ 2.7Å; D85-K88 PolarHBondContact OD1-NZ 2.87Å; D85-G89 PolarHBondContact O-N 3.4Å
86F98.6Very high98.1Very high5 Ų546.4 Ų46.42%0.02224%0.237CC..Hα-helixtrans-57.7-46.9168.5169.7-98.8000111.3L76 G77 R82 E83 K88 G89 L90 L107 N132 A136L76-F86 HydrophobicContact CB-CB 4.16Å; G77-F86 VanDerWaalsContact CA-CD2 3.43Å; R82-F86 PolarHBondContact O-N 3.13Å; E83-F86 PolarHBondContact O-N 2.99Å; F86-K88 PolarHBondContact O-N 3.25Å; F86-G89 CarbonylContact O-C 3.57Å; F86-G89 PolarHBondContact O-N 2.65Å; F86-G89 VanDerWaalsContact O-N 3.16Å; F86-L90 HydrophobicContact CE1-CD2 4.46Å; F86-L90 PolarHBondContact O-N 2.82Å; F86-L107 HydrophobicContact CE2-CB 4.45Å; F86-L107 HydrophobicContact CZ-CD2 4.29Å; F86-N132 HydrophobicContact CD1-CB 3.62Å; F86-N132 VanDerWaalsContact CD1-CG 3.46Å; F86-N132 HydrophobicContact CE1-CB 3.54Å; F86-N132 HydrophobicContact CG-CB 4.32Å; F86-N132 HydrophobicContact CZ-CB 4.15Å; F86-A136 HydrophobicContact CE1-CB 4.48Å; F86-A136 HydrophobicContact CZ-CB 4.31Å
87R98.6Very high98.1Very high105 Ų10546 Ų4640%0.39624%0.235SC..Hα-helixtrans-62-44179-69.3177.2-168.9174.63112.3E83 E84 D85 G89 L90 D91E83-R87 VanDerWaalsContact O-CG 3.32Å; E83-R87 WeakPolarHBondContact O-CG 3.32Å; E83-R87 PolarHBondContact O-N 3.04Å; E84-R87 PolarHBondContact O-N 3Å; D85-R87 VanDerWaalsContact C-N 3.35Å; R87-G89 VanDerWaalsContact C-N 3.3Å; R87-G89 PolarHBondContact O-N 3.34Å; R87-L90 WeakPolarHBondContact O-CB 3.37Å; R87-L90 PolarHBondContact O-N 2.9Å; R87-D91 PolarHBondContact O-N 3.28Å
88K98.3Very high98Very high122 Ų12251.2 Ų51.253%0.5326%0.258SS..Hα-helixtrans-60-41.3173.3-69168.5-166.7157.40111.9E84 D85 F86 D91 L92E84-K88 WeakPolarHBondContact O-CG 3.43Å; E84-K88 PolarHBondContact O-N 3.16Å; D85-K88 PolarHBondContact O-N 3.18Å; D85-K88 IonicContact OD1-NZ 2.7Å; D85-K88 PolarHBondContact OD1-NZ 2.87Å; F86-K88 PolarHBondContact O-N 3.25Å; K88-D91 PolarHBondContact O-N 2.78Å; K88-L92 PolarHBondContact O-N 2.86Å; K88-L92 VanDerWaalsContact O-N 3.09Å
89G98.2Very high97.9Very high13 Ų1352.4 Ų52.413%0.13427%0.268CS..Hα-helixtrans-63.8-40.5175.400000112.6P65 D85 F86 R87 L92 A93P65-G89 WeakPolarHBondContact CD-O 3.14Å; D85-G89 PolarHBondContact O-N 3.4Å; F86-G89 CarbonylContact O-C 3.57Å; F86-G89 PolarHBondContact O-N 2.65Å; F86-G89 VanDerWaalsContact O-N 3.16Å; R87-G89 VanDerWaalsContact C-N 3.3Å; R87-G89 PolarHBondContact O-N 3.34Å; G89-L92 PolarHBondContact O-N 3.41Å; G89-A93 WeakPolarHBondContact O-CB 3.45Å; G89-A93 PolarHBondContact O-N 2.99Å
90L98.6Very high97.9Very high0 Ų051.7 Ų51.70%026%0.263CS..Hα-helixtrans-63.1-44.6173.9178.762.6000111.5F86 R87 L92 A93 M94 L107 A136 L140F86-L90 HydrophobicContact CE1-CD2 4.46Å; F86-L90 PolarHBondContact O-N 2.82Å; R87-L90 WeakPolarHBondContact O-CB 3.37Å; R87-L90 PolarHBondContact O-N 2.9Å; L90-L92 VanDerWaalsContact C-N 3.31Å; L90-L92 PolarHBondContact O-N 3.03Å; L90-A93 WeakPolarHBondContact O-CB 3.29Å; L90-A93 PolarHBondContact O-N 3.22Å; L90-A93 VanDerWaalsContact O-N 3.16Å; L90-M94 HydrophobicContact CD1-CG 4.37Å; L90-M94 HydrophobicContact CG-CG 4.49Å; L90-M94 WeakPolarHBondContact O-CG 3.33Å; L90-M94 PolarHBondContact O-N 2.92Å; L90-L107 HydrophobicContact CD1-CD2 3.74Å; L90-A136 HydrophobicContact CD2-CB 3.69Å; L90-L140 HydrophobicContact CD1-CD1 4.45Å; L90-L140 HydrophobicContact CD1-CD2 4.1Å; L90-L140 HydrophobicContact CD1-CG 4.42Å
91D98.3Very high98Very high88 Ų8854 Ų5447%0.47127%0.274SS..Hα-helixtrans-58.8-43.3177-71.3-26.4000111.7R87 K88 M94 Q95R87-D91 PolarHBondContact O-N 3.28Å; K88-D91 PolarHBondContact O-N 2.78Å; D91-M94 PolarHBondContact O-N 2.88Å; D91-M94 WeakPolarHBondContact OD1-CE 3.47Å; D91-Q95 PolarHBondContact O-N 3.25Å
92L97.9Very high98.1Very high62 Ų6251.2 Ų51.233%0.32525%0.245SC..Hα-helixtrans-63.8-45174.5-177.560.5000111.6Y41 P65 K88 G89 L90 M94 Q95 Y96Y41-L92 HydrophobicContact CD1-CD2 3.86Å; Y41-L92 HydrophobicContact CD1-CG 3.9Å; Y41-L92 HydrophobicContact CE1-CD2 4.26Å; Y41-L92 HydrophobicContact CE1-CG 3.95Å; Y41-L92 HydrophobicContact CG-CD2 4.4Å; P65-L92 HydrophobicContact CG-CB 4.46Å; P65-L92 HydrophobicContact CG-CD2 3.92Å; P65-L92 HydrophobicContact CG-CG 4.47Å; K88-L92 PolarHBondContact O-N 2.86Å; K88-L92 VanDerWaalsContact O-N 3.09Å; G89-L92 PolarHBondContact O-N 3.41Å; L90-L92 VanDerWaalsContact C-N 3.31Å; L90-L92 PolarHBondContact O-N 3.03Å; L92-M94 VanDerWaalsContact C-N 3.3Å; L92-M94 PolarHBondContact O-N 3.35Å; L92-Q95 WeakPolarHBondContact O-CB 3.44Å; L92-Q95 PolarHBondContact O-N 2.95Å; L92-Y96 HydrophobicContact CD1-CD2 3.99Å; L92-Y96 HydrophobicContact CD1-CE2 3.78Å; L92-Y96 HydrophobicContact CG-CD2 4.4Å; L92-Y96 HydrophobicContact CG-CE2 4.44Å; L92-Y96 WeakPolarHBondContact O-CD2 3.44Å; L92-Y96 PolarHBondContact O-N 2.92Å; L92-Y96 VanDerWaalsContact O-N 3.12Å
93A98.3Very high98.1Very high0 Ų053.9 Ų53.90%026%0.255CS..Hα-helixtrans-60.4-40.7176.600000111.5Y41 I62 T64 G89 L90 Y96 A97 I105Y41-A93 WeakPolarHBondContact OH-CA 3.23Å; Y41-A93 VanDerWaalsContact OH-CB 3.29Å; Y41-A93 WeakPolarHBondContact OH-CB 3.22Å; I62-A93 WeakPolarHBondContact CD1-O 3.35Å; T64-A93 HydrophobicContact CG2-CB 4.25Å; G89-A93 WeakPolarHBondContact O-CB 3.45Å; G89-A93 PolarHBondContact O-N 2.99Å; L90-A93 WeakPolarHBondContact O-CB 3.29Å; L90-A93 PolarHBondContact O-N 3.22Å; L90-A93 VanDerWaalsContact O-N 3.16Å; A93-Y96 PolarHBondContact O-N 3.14Å; A93-A97 VanDerWaalsContact O-CB 3.27Å; A93-A97 WeakPolarHBondContact O-CB 3.47Å; A93-A97 PolarHBondContact O-N 3.34Å; A93-I105 HydrophobicContact CB-CD1 4.1Å; A93-I105 HydrophobicContact CB-CG2 4.02Å
94M97.9Very high98.1Very high19 Ų1954 Ų549%0.09425%0.253CS..Hα-helixtrans-64.5-39.8175.3-73.4-162.1-57.300112.8L90 D91 L92 Y96 A97 K98 I105 V139 L140L90-M94 HydrophobicContact CD1-CG 4.37Å; L90-M94 HydrophobicContact CG-CG 4.49Å; L90-M94 WeakPolarHBondContact O-CG 3.33Å; L90-M94 PolarHBondContact O-N 2.92Å; D91-M94 PolarHBondContact O-N 2.88Å; D91-M94 WeakPolarHBondContact OD1-CE 3.47Å; L92-M94 VanDerWaalsContact C-N 3.3Å; L92-M94 PolarHBondContact O-N 3.35Å; M94-Y96 VanDerWaalsContact C-N 3.31Å; M94-Y96 PolarHBondContact O-N 3.38Å; M94-A97 PolarHBondContact O-N 3.1Å; M94-K98 WeakPolarHBondContact O-CB 3.48Å; M94-K98 VanDerWaalsContact O-CG 3.32Å; M94-K98 WeakPolarHBondContact O-CG 3.37Å; M94-K98 PolarHBondContact O-N 3.31Å; M94-I105 HydrophobicContact CG-CD1 4.34Å; M94-V139 HydrophobicContact CE-CG1 3.49Å; M94-V139 VanDerWaalsContact CE-CG1 3.49Å; M94-V139 HydrophobicContact SD-CB 4.46Å; M94-V139 HydrophobicContact SD-CG1 3.33Å; M94-V139 WeakPolarHBondContact SD-CG1 3.36Å; M94-L140 HydrophobicContact CG-CD2 3.84Å; M94-L140 HydrophobicContact SD-CD2 4.08Å
95Q97.7Very high98.1Very high111 Ų11147.7 Ų47.752%0.51922%0.223SC..Hα-helixtrans-57.5-48.2175.1-177.3-175.39.600110.6L45 D91 L92 A99L45-Q95 HydrophobicContact CD2-CG 4.11Å; D91-Q95 PolarHBondContact O-N 3.25Å; L92-Q95 WeakPolarHBondContact O-CB 3.44Å; L92-Q95 PolarHBondContact O-N 2.95Å; Q95-A99 VanDerWaalsContact O-CB 3.27Å; Q95-A99 WeakPolarHBondContact O-CB 3.39Å; Q95-A99 PolarHBondContact O-N 2.96Å; Q95-A99 VanDerWaalsContact O-N 3.07Å
96Y98.2Very high98.1Very high21 Ų2145.1 Ų45.18%0.08221%0.209CC..Hα-helixtrans-65.8-43.4176.7-86.1-110000111.8L40 Y41 S43 L45 L48 L92 A93 M94 K98 A99 L100L40-Y96 HydrophobicContact CD1-CD1 3.48Å; L40-Y96 VanDerWaalsContact CD1-CD1 3.48Å; L40-Y96 HydrophobicContact CD1-CE1 4.1Å; L40-Y96 HydrophobicContact CD1-CG 4.45Å; L40-Y96 HydrophobicContact CG-CD1 3.94Å; L40-Y96 HydrophobicContact CG-CE1 4.26Å; Y41-Y96 HydrophobicContact CD1-CD1 4.35Å; Y41-Y96 AromaticContact CD1-CD2 3.97Å; Y41-Y96 HydrophobicContact CD1-CD2 3.97Å; Y41-Y96 HydrophobicContact CD1-CE1 4.29Å; Y41-Y96 AromaticContact CD1-CE2 3.93Å; Y41-Y96 HydrophobicContact CD1-CE2 3.93Å; Y41-Y96 HydrophobicContact CD1-CG 4.19Å; Y41-Y96 HydrophobicContact CE1-CD1 4.44Å; Y41-Y96 AromaticContact CE1-CD2 3.98Å; Y41-Y96 HydrophobicContact CE1-CD2 3.98Å; Y41-Y96 HydrophobicContact CE1-CE2 4.41Å; Y41-Y96 HydrophobicContact CE1-CG 4Å; Y41-Y96 PolarHBondContact O-OH 3.39Å; S43-Y96 PolarHBondContact O-OH 3.4Å; S43-Y96 VanDerWaalsContact O-OH 3.05Å; L45-Y96 HydrophobicContact CB-CE1 4.33Å; L45-Y96 HydrophobicContact CD1-CD1 3.56Å; L45-Y96 HydrophobicContact CD1-CD2 4.4Å; L45-Y96 HydrophobicContact CD1-CE1 3.81Å; L45-Y96 HydrophobicContact CD1-CG 3.9Å; L45-Y96 HydrophobicContact CD2-CD2 4.18Å; L45-Y96 HydrophobicContact CD2-CE2 4.23Å; L45-Y96 HydrophobicContact CD2-CG 4.44Å; L48-Y96 HydrophobicContact CD1-CD1 4.28Å; L48-Y96 HydrophobicContact CD1-CE1 3.93Å; L92-Y96 HydrophobicContact CD1-CD2 3.99Å; L92-Y96 HydrophobicContact CD1-CE2 3.78Å; L92-Y96 HydrophobicContact CG-CD2 4.4Å; L92-Y96 HydrophobicContact CG-CE2 4.44Å; L92-Y96 WeakPolarHBondContact O-CD2 3.44Å; L92-Y96 PolarHBondContact O-N 2.92Å; L92-Y96 VanDerWaalsContact O-N 3.12Å; A93-Y96 PolarHBondContact O-N 3.14Å; M94-Y96 VanDerWaalsContact C-N 3.31Å; M94-Y96 PolarHBondContact O-N 3.38Å; Y96-K98 PolarHBondContact O-N 3Å; Y96-A99 PolarHBondContact O-N 2.82Å; Y96-L100 HydrophobicContact CD1-CD1 4.5Å; Y96-L100 WeakPolarHBondContact O-CB 3.29Å; Y96-L100 VanDerWaalsContact O-CG 3.28Å; Y96-L100 WeakPolarHBondContact O-CG 3.26Å; Y96-L100 PolarHBondContact O-N 3.41Å
97A98.1Very high98.2Very high0 Ų044.9 Ų44.90%021%0.208CC..Hα-helixtrans-61.2-46.1179.900000112I62 A93 M94 L100 D101 C102 I105 I145I62-A97 HydrophobicContact CD1-CB 4.04Å; A93-A97 VanDerWaalsContact O-CB 3.27Å; A93-A97 WeakPolarHBondContact O-CB 3.47Å; A93-A97 PolarHBondContact O-N 3.34Å; M94-A97 PolarHBondContact O-N 3.1Å; A97-L100 PolarHBondContact O-N 3.16Å; A97-D101 CarbonylContact O-C 3.54Å; A97-D101 WeakPolarHBondContact O-CA 3.33Å; A97-D101 PolarHBondContact O-N 3.44Å; A97-C102 HydrophobicContact CB-CB 4.23Å; A97-C102 PolarHBondContact O-N 3.38Å; A97-I105 HydrophobicContact CB-CD1 3.77Å; A97-I105 HydrophobicContact CB-CG1 4.12Å; A97-I145 HydrophobicContact CB-CD1 3.99Å
98K97.4Very high98.2Very high109 Ų10940.3 Ų40.347%0.47419%0.192SC..Hα-helixtrans-61.1-46.5175.2-74.3178172.9-169.60111.7M94 Y96 L100 D101 E143M94-K98 WeakPolarHBondContact O-CB 3.48Å; M94-K98 VanDerWaalsContact O-CG 3.32Å; M94-K98 WeakPolarHBondContact O-CG 3.37Å; M94-K98 PolarHBondContact O-N 3.31Å; Y96-K98 PolarHBondContact O-N 3Å; K98-L100 VanDerWaalsContact C-N 3.3Å; K98-L100 PolarHBondContact O-N 2.99Å; K98-D101 PolarHBondContact O-N 3.19Å; K98-E143 WeakPolarHBondContact CE-OE1 3.17Å; K98-E143 WeakPolarHBondContact CE-OE2 3.46Å; K98-E143 IonicContact NZ-OE1 2.66Å; K98-E143 PolarHBondContact NZ-OE1 2.91Å; K98-E143 IonicContact NZ-OE2 3.08Å; K98-E143 PolarHBondContact NZ-OE2 3.29Å
99A97.1Very high98.2Very high25 Ų2534.5 Ų34.521%0.20717%0.167CC..Hα-helixtrans-61.9-39.1-18000000112.1L45 Q49 Q95 Y96L45-A99 HydrophobicContact CD1-CB 3.65Å; L45-A99 HydrophobicContact CD2-CB 3.73Å; L45-A99 HydrophobicContact CG-CB 3.82Å; Q49-A99 HydrophobicContact CG-CB 4.18Å; Q49-A99 VanDerWaalsContact CG-O 3.28Å; Q49-A99 WeakPolarHBondContact CG-O 3.32Å; Q49-A99 VanDerWaalsContact NE2-C 3.33Å; Q49-A99 PolarHBondContact NE2-O 2.86Å; Q95-A99 VanDerWaalsContact O-CB 3.27Å; Q95-A99 WeakPolarHBondContact O-CB 3.39Å; Q95-A99 PolarHBondContact O-N 2.96Å; Q95-A99 VanDerWaalsContact O-N 3.07Å; Y96-A99 PolarHBondContact O-N 2.82Å
100L97.6Very high98.2Very high4 Ų433.9 Ų33.92%0.02116%0.16CC..Hα-helixtrans-92.70.6-177.3-58.9174.4000113.4L40 L45 L48 Q49 K52 V59 Y96 A97 K98 C102L40-L100 HydrophobicContact CD1-CD1 3.6Å; L45-L100 HydrophobicContact CD1-CD2 4.37Å; L45-L100 HydrophobicContact CD1-CG 4.26Å; L48-L100 HydrophobicContact CB-CD2 3.8Å; L48-L100 HydrophobicContact CD1-CD1 4.47Å; Q49-L100 HydrophobicContact CG-CD2 4.17Å; K52-L100 VanDerWaalsContact CD-O 3.31Å; K52-L100 WeakPolarHBondContact CD-O 3.31Å; K52-L100 WeakPolarHBondContact CE-O 3.45Å; K52-L100 PolarHBondContact NZ-O 2.94Å; V59-L100 HydrophobicContact CB-CB 4.13Å; V59-L100 HydrophobicContact CG1-CB 4.45Å; V59-L100 HydrophobicContact CG1-CD1 4.32Å; V59-L100 HydrophobicContact CG2-CB 4.11Å; V59-L100 HydrophobicContact CG2-CD1 4.41Å; Y96-L100 HydrophobicContact CD1-CD1 4.5Å; Y96-L100 WeakPolarHBondContact O-CB 3.29Å; Y96-L100 VanDerWaalsContact O-CG 3.28Å; Y96-L100 WeakPolarHBondContact O-CG 3.26Å; Y96-L100 PolarHBondContact O-N 3.41Å; A97-L100 PolarHBondContact O-N 3.16Å; K98-L100 VanDerWaalsContact C-N 3.3Å; K98-L100 PolarHBondContact O-N 2.99Å; L100-C102 PolarHBondContact O-N 3.5Å
101D97.8Very high98.1Very high81 Ų8136.5 Ų36.543%0.43317%0.17SC..THydrogen-bonded Turntrans52.335.2-169.2-167.532.1000112.9A97 K98 R103A97-D101 CarbonylContact O-C 3.54Å; A97-D101 WeakPolarHBondContact O-CA 3.33Å; A97-D101 PolarHBondContact O-N 3.44Å; K98-D101 PolarHBondContact O-N 3.19Å; D101-R103 IonicContact OD1-CZ 3.35Å; D101-R103 VanDerWaalsContact OD1-CZ 3.26Å; D101-R103 IonicContact OD1-NE 3.24Å; D101-R103 PolarHBondContact OD1-NE 2.5Å; D101-R103 IonicContact OD1-NH2 2.64Å; D101-R103 PolarHBondContact OD1-NH2 2.91Å
102C98.3Very high98.1Very high1 Ų132.7 Ų32.71%0.00715%0.15CC..  trans-80.6127.3175.9-1760000110.3V59 A97 L100 R104V59-C102 HydrophobicContact CB-CB 4.32Å; V59-C102 HydrophobicContact CG1-CB 4.08Å; V59-C102 VanDerWaalsContact O-CA 3.27Å; V59-C102 WeakPolarHBondContact O-CA 3.37Å; V59-C102 WeakPolarHBondContact O-CB 3.39Å; V59-C102 PolarHBondContact O-SG 3.39Å; V59-C102 VanDerWaalsContact O-SG 3.4Å; A97-C102 HydrophobicContact CB-CB 4.23Å; A97-C102 PolarHBondContact O-N 3.38Å; L100-C102 PolarHBondContact O-N 3.5Å; C102-R104 PolarHBondContact SG-O 2.84Å
103R98Very high97.8Very high123 Ų12332.3 Ų32.346%0.46415%0.151SC..  trans-101.15.6-175.3-58.6-62.2178.2159.2-1.3114.1D101 E143 T146D101-R103 IonicContact OD1-CZ 3.35Å; D101-R103 VanDerWaalsContact OD1-CZ 3.26Å; D101-R103 IonicContact OD1-NE 3.24Å; D101-R103 PolarHBondContact OD1-NE 2.5Å; D101-R103 IonicContact OD1-NH2 2.64Å; D101-R103 PolarHBondContact OD1-NH2 2.91Å; R103-E143 PolarHBondContact NH1-O 3.18Å; R103-E143 VanDerWaalsContact NH1-O 3.13Å; R103-T146 PolarHBondContact O-N 3.38Å
104R98.8Very high97.5Very high57 Ų5738.2 Ų38.222%0.21519%0.187CC..EExtended strand (participates in β ladder)trans-137.3135177.7-55.2178.9-172.473.96111.8V60 L61 I62 C102 T146 L148 G209V60-R104 WeakPolarHBondContact O-CB 3.46Å; V60-R104 PolarHBondContact O-NH1 2.81Å; L61-R104 HydrophobicContact CD1-CB 3.96Å; I62-R104 PolarHBondContact N-O 3.09Å; C102-R104 PolarHBondContact SG-O 2.84Å; R104-T146 VanDerWaalsContact CA-O 3.27Å; R104-T146 WeakPolarHBondContact CA-O 3.45Å; R104-L148 HydrophobicContact CB-CD1 4.05Å; R104-L148 HydrophobicContact CB-CG 4.46Å; R104-G209 PolarHBondContact NE-O 3.45Å
105I98.9Very high97.1Very high0 Ų041.3 Ų41.30%022%0.224CC..EExtended strand (participates in β ladder)trans-127.6121.6173.7-58.2176000109I62 T64 A93 M94 A97 L107 L140 I145 T146 G147 L148I62-I105 HydrophobicContact CD1-CG1 4.5Å; I62-I105 HydrophobicContact CG1-CG1 4.08Å; I62-I105 CarbonylContact O-C 3.51Å; I62-I105 VanDerWaalsContact O-CA 3.23Å; I62-I105 WeakPolarHBondContact O-CA 3.45Å; T64-I105 HydrophobicContact CG2-CG2 3.92Å; A93-I105 HydrophobicContact CB-CD1 4.1Å; A93-I105 HydrophobicContact CB-CG2 4.02Å; M94-I105 HydrophobicContact CG-CD1 4.34Å; A97-I105 HydrophobicContact CB-CD1 3.77Å; A97-I105 HydrophobicContact CB-CG1 4.12Å; I105-L107 HydrophobicContact CG2-CD2 4.1Å; I105-L107 PolarHBondContact O-N 3.37Å; I105-L140 HydrophobicContact CD1-CD2 3.9Å; I105-I145 HydrophobicContact CD1-CG2 4.09Å; I105-I145 HydrophobicContact CG1-CG2 3.97Å; I105-T146 PolarHBondContact N-O 3.16Å; I105-G147 CarbonylContact O-C 3.47Å; I105-G147 WeakPolarHBondContact O-CA 3.26Å; I105-L148 PolarHBondContact O-N 3.25Å
106H98.9Very high96.9Very high1 Ų138 Ų381%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-76.6117167.8170.3-159.1000109.9L61 I62 N63 T64 M108 L148 E150L61-H106 HydrophobicContact CD1-CB 4.09Å; I62-H106 PolarHBondContact O-N 3.03Å; N63-H106 CarbonylContact C-O 3.6Å; N63-H106 WeakPolarHBondContact CA-O 3.44Å; N63-H106 WeakPolarHBondContact OD1-CB 3.46Å; T64-H106 PolarHBondContact N-O 3.4Å; T64-H106 PolarHBondContact OG1-O 2.82Å; H106-M108 PolarHBondContact O-N 3.36Å; H106-L148 WeakPolarHBondContact CA-O 3.23Å; H106-L148 HydrophobicContact CB-CB 4.44Å; H106-L148 PolarHBondContact CD2-O 3.09Å; H106-E150 VanDerWaalsContact CE1-CB 3.4Å; H106-E150 WeakPolarHBondContact CE1-CB 3.48Å; H106-E150 IonicContact CE1-OE2 3.82Å; H106-E150 PolarHBondContact CE1-OE2 2.71Å; H106-E150 IonicContact ND1-OE2 3.38Å; H106-E150 PolarHBondContact ND1-OE2 2.82Å; H106-E150 WeakPolarHBondContact NE2-CB 3.36Å; H106-E150 IonicContact NE2-OE2 3.4Å
107L98.8Very high96.7Very high0 Ų041.5 Ų41.50%024%0.236CC..  trans-87.191.2177.6-54174.9000108.9T64 F86 L90 I105 A109 L133 A136 L140 L148 I181T64-L107 HydrophobicContact CG2-CD2 3.66Å; F86-L107 HydrophobicContact CE2-CB 4.45Å; F86-L107 HydrophobicContact CZ-CD2 4.29Å; L90-L107 HydrophobicContact CD1-CD2 3.74Å; I105-L107 HydrophobicContact CG2-CD2 4.1Å; I105-L107 PolarHBondContact O-N 3.37Å; L107-A109 PolarHBondContact O-N 3.02Å; L107-L133 HydrophobicContact CB-CD2 4Å; L107-L133 HydrophobicContact CD1-CD2 3.45Å; L107-L133 VanDerWaalsContact CD1-CD2 3.45Å; L107-L133 HydrophobicContact CG-CD2 4.36Å; L107-A136 HydrophobicContact CD1-CB 3.61Å; L107-A136 HydrophobicContact CD2-CB 4.34Å; L107-L140 HydrophobicContact CD1-CD1 4.42Å; L107-L140 HydrophobicContact CD2-CD1 4.42Å; L107-L148 PolarHBondContact N-O 3.38Å; L107-I181 HydrophobicContact CD1-CD1 4.12Å
108M98.6Very high96.5Very high9 Ų945 Ų454%0.04425%0.249CC..  trans-64.9126.6-173.3-64-170.972.400111.3W39 N63 T64 L66 L74 L76 G77 H106W39-M108 HydrophobicContact CH2-CE 4.21Å; W39-M108 HydrophobicContact CH2-SD 4.25Å; W39-M108 HydrophobicContact CZ3-SD 4.2Å; N63-M108 HydrophobicContact CB-CG 4.17Å; N63-M108 HydrophobicContact CB-SD 3.96Å; T64-M108 PolarHBondContact OG1-N 2.95Å; T64-M108 VanDerWaalsContact OG1-N 3.09Å; L66-M108 HydrophobicContact CD2-CE 3.75Å; L66-M108 HydrophobicContact CD2-SD 3.62Å; L74-M108 HydrophobicContact CD1-CE 4.34Å; L74-M108 HydrophobicContact CG-CE 3.91Å; L76-M108 PolarHBondContact N-O 3.03Å; G77-M108 PolarHBondContact N-O 2.93Å; H106-M108 PolarHBondContact O-N 3.36Å
109A98.6Very high96.4Very high1 Ų143.5 Ų43.51%0.00826%0.257CS..BIsolated β-bridgetrans-69.4-43.2-173.800000112.1G77 A78 L107 F129 Y161 F162 L163G77-A109 PolarHBondContact N-O 2.89Å; G77-A109 VanDerWaalsContact N-O 3.16Å; A78-A109 WeakPolarHBondContact CA-O 3.45Å; A78-A109 HydrophobicContact CB-CB 4.23Å; A78-A109 VanDerWaalsContact CB-O 3.27Å; A78-A109 WeakPolarHBondContact CB-O 3.37Å; A78-A109 PolarHBondContact N-O 3.38Å; L107-A109 PolarHBondContact O-N 3.02Å; A109-F129 HydrophobicContact CB-CD1 4.49Å; A109-F129 HydrophobicContact CB-CE1 3.93Å; A109-F129 HydrophobicContact CB-CE2 4.18Å; A109-F129 HydrophobicContact CB-CZ 3.74Å; A109-Y161 HydrophobicContact CB-CE1 4.17Å; A109-Y161 PolarHBondContact N-OH 3.3Å; A109-Y161 VanDerWaalsContact N-OH 3.11Å; A109-F162 HydrophobicContact CB-CB 4.48Å; A109-F162 HydrophobicContact CB-CD1 4.22Å; A109-L163 HydrophobicContact CB-CB 4.01Å
110G98Very high96.3Very high0 Ų047.8 Ų47.80%028%0.281CS..  trans100.1-179.9-175.300000114L74 G75 Y161 F162L74-G110 WeakPolarHBondContact O-CA 3.37Å; L74-G110 PolarHBondContact O-N 2.86Å; G75-G110 WeakPolarHBondContact O-CA 3.24Å; G110-Y161 WeakPolarHBondContact O-CD2 3.31Å; G110-F162 WeakPolarHBondContact O-CB 3.45Å; G110-F162 PolarHBondContact O-N 3.22Å
111R97.9Very high96.3Very high55 Ų5549 Ų4921%0.20829%0.287CS..BIsolated β-bridgetrans-101.5146.4-173.9-72.8163.4165.9154.55.2111.1G72 D73 L74 D158 R160G72-R111 VanDerWaalsContact C-NH1 3.35Å; G72-R111 VanDerWaalsContact O-CD 3.23Å; G72-R111 WeakPolarHBondContact O-CD 3.31Å; G72-R111 PolarHBondContact O-NH1 2.91Å; D73-R111 PolarHBondContact O-NH1 3.03Å; L74-R111 HydrophobicContact CB-CG 4.03Å; R111-D158 IonicContact CZ-OD2 3.83Å; R111-D158 IonicContact NE-OD1 3.63Å; R111-D158 IonicContact NE-OD2 3Å; R111-D158 PolarHBondContact NE-OD2 3.2Å; R111-D158 IonicContact NH2-OD2 3.74Å; R111-D158 PolarHBondContact NH2-OD2 2.8Å; R111-R160 CarbonylContact C-O 3.53Å; R111-R160 WeakPolarHBondContact CA-O 3.34Å; R111-R160 HydrophobicContact CB-CB 4.02Å; R111-R160 HydrophobicContact CG-CB 4.11Å
112V97.2Very high96.2Very high8 Ų846.6 Ų46.65%0.04828%0.279CS..PPolyproline II helixtrans-54.8128.8161.1176.70000108.4A116 R118 I121 M125 R160V112-A116 HydrophobicContact CG1-CB 4.29Å; V112-R118 HydrophobicContact CG2-CG 4.23Å; V112-I121 HydrophobicContact CG1-CG2 3.97Å; V112-M125 HydrophobicContact CB-SD 4.42Å; V112-M125 HydrophobicContact CG2-SD 3.95Å; V112-R160 WeakPolarHBondContact CB-O 3.46Å; V112-R160 WeakPolarHBondContact CG2-O 3.49Å; V112-R160 PolarHBondContact N-O 3.46Å
113P92.7Very high96.2Very high53 Ų5351.3 Ų51.334%0.34431%0.307SS..PPolyproline II helixtrans-54.8145.1-179.8-27.835000112.9G115 A116P113-G115 PolarHBondContact O-N 3.39Å; P113-A116 HydrophobicContact CB-CB 4.12Å; P113-A116 WeakPolarHBondContact O-CB 3.3Å; P113-A116 PolarHBondContact O-N 2.85Å; P113-A116 VanDerWaalsContact O-N 3.16Å
114V91.1Very high96.2Very high125 Ų12550.4 Ų50.476%0.75831%0.308SS*.THydrogen-bonded Turntrans-61.7130.3178.7179.20000109.8A116 R160V114-A116 PolarHBondContact O-N 3.42Å; V114-R160 VanDerWaalsContact CG2-NH1 3.28Å
115G90Very high96.2Very high84 Ų8447.7 Ų47.787%0.86630%0.298SS*.THydrogen-bonded Turntrans81.1-5.2179.900000114.8P113P113-G115 PolarHBondContact O-N 3.39Å
116A93.2Very high96.2Very high42 Ų4249.4 Ų49.435%0.34731%0.306SS..  trans-79.1142.2171.300000110.8V112 P113 V114 I121V112-A116 HydrophobicContact CG1-CB 4.29Å; P113-A116 HydrophobicContact CB-CB 4.12Å; P113-A116 WeakPolarHBondContact O-CB 3.3Å; P113-A116 PolarHBondContact O-N 2.85Å; P113-A116 VanDerWaalsContact O-N 3.16Å; V114-A116 PolarHBondContact O-N 3.42Å; A116-I121 HydrophobicContact CB-CG2 4.34Å
117D93.9Very high96.2Very high93 Ų9353.4 Ų53.450%0.49733%0.327SS..  trans-76.3127.3165.2170.363.4000109.5A119 T120 I121D117-A119 VanDerWaalsContact C-N 3.31Å; D117-A119 PolarHBondContact O-N 3.05Å; D117-A119 WeakPolarHBondContact OD2-CB 3.31Å; D117-A119 PolarHBondContact OD2-N 2.81Å; D117-T120 PolarHBondContact O-N 2.96Å; D117-T120 WeakPolarHBondContact OD2-CB 3.28Å; D117-T120 PolarHBondContact OD2-N 2.82Å; D117-T120 PolarHBondContact OD2-OG1 2.79Å; D117-I121 PolarHBondContact O-N 3.36Å
118R94.3Very high96.2Very high73 Ų7353.8 Ų53.828%0.27533%0.33SS..Hα-helixtrans-57.9-43.8-176176.8-177.7-77.7-1002.6111.4V112 T120 I121 A122 P159 Y161 F162 D164V112-R118 HydrophobicContact CG2-CG 4.23Å; R118-T120 VanDerWaalsContact C-N 3.29Å; R118-T120 PolarHBondContact O-N 3.44Å; R118-I121 PolarHBondContact O-N 2.78Å; R118-A122 VanDerWaalsContact O-CB 3.23Å; R118-A122 WeakPolarHBondContact O-CB 3.48Å; R118-A122 PolarHBondContact O-N 2.82Å; R118-P159 PolarHBondContact NH2-O 3.08Å; R118-Y161 PolarHBondContact NH1-O 3.31Å; R118-Y161 PolarHBondContact NH2-O 3.34Å; R118-F162 PolarHBondContact NH1-O 3.04Å; R118-D164 IonicContact CZ-OD2 2.59Å; R118-D164 IonicContact NH1-OD2 3.83Å
119A95Very high96.2Very high79 Ų7953.4 Ų53.465%0.65333%0.328SS*.Hα-helixtrans-66-36.4-177.100000111.6D117D117-A119 VanDerWaalsContact C-N 3.31Å; D117-A119 PolarHBondContact O-N 3.05Å; D117-A119 WeakPolarHBondContact OD2-CB 3.31Å; D117-A119 PolarHBondContact OD2-N 2.81Å
120T95.3Very high96.2Very high114 Ų11454 Ų5470%0.69933%0.331SS*.Hα-helixtrans-66.8-42.9179.1-57.40000112.4D117 R118D117-T120 PolarHBondContact O-N 2.96Å; D117-T120 WeakPolarHBondContact OD2-CB 3.28Å; D117-T120 PolarHBondContact OD2-N 2.82Å; D117-T120 PolarHBondContact OD2-OG1 2.79Å; R118-T120 VanDerWaalsContact C-N 3.29Å; R118-T120 PolarHBondContact O-N 3.44Å
121I96.8Very high96.3Very high30 Ų3059.8 Ų59.815%0.15436%0.358CS..Hα-helixtrans-92.8-12.5-174.8-157.467.5000113.9V112 A116 D117 R118 V123 E124 M125V112-I121 HydrophobicContact CG1-CG2 3.97Å; A116-I121 HydrophobicContact CB-CG2 4.34Å; D117-I121 PolarHBondContact O-N 3.36Å; R118-I121 PolarHBondContact O-N 2.78Å; I121-V123 VanDerWaalsContact C-N 3.29Å; I121-V123 PolarHBondContact O-N 3.29Å; I121-E124 HydrophobicContact CD1-CB 4.24Å; I121-E124 WeakPolarHBondContact CD1-OE2 3.28Å; I121-E124 PolarHBondContact O-N 3.29Å; I121-E124 VanDerWaalsContact O-N 3.15Å; I121-M125 HydrophobicContact CG1-CG 4Å; I121-M125 HydrophobicContact CG1-SD 4.48Å; I121-M125 HydrophobicContact CG2-CG 4.22Å; I121-M125 HydrophobicContact CG2-SD 3.81Å; I121-M125 WeakPolarHBondContact O-CG 3.4Å; I121-M125 PolarHBondContact O-N 2.85Å
122A96.3Very high96.3Very high31 Ų3157.2 Ų57.226%0.25635%0.349SS..Hα-helixtrans-55.1-40.4-172.400000113.8R118 E126R118-A122 VanDerWaalsContact O-CB 3.23Å; R118-A122 WeakPolarHBondContact O-CB 3.48Å; R118-A122 PolarHBondContact O-N 2.82Å; A122-E126 WeakPolarHBondContact O-CB 3.38Å; A122-E126 PolarHBondContact O-N 3.24Å
123V97.9Very high96.4Very high99 Ų9956.9 Ų56.960%0.635%0.346SS*.Hα-helixtrans-65.4-46.3-179.6177.90000110.9I121 M125 E126 D127I121-V123 VanDerWaalsContact C-N 3.29Å; I121-V123 PolarHBondContact O-N 3.29Å; V123-M125 PolarHBondContact O-N 3.36Å; V123-E126 PolarHBondContact O-N 3.08Å; V123-D127 PolarHBondContact O-N 2.96Å
124E98.4Very high96.7Very high104 Ų10458.9 Ų58.949%0.48635%0.35SS..Hα-helixtrans-65-41.2179.5-170.1-177.9172.200111.6P80 I121 D127 T128P80-E124 HydrophobicContact CB-CG 3.97Å; P80-E124 WeakPolarHBondContact CB-OE1 3.48Å; P80-E124 HydrophobicContact CG-CB 4.35Å; P80-E124 HydrophobicContact CG-CG 3.7Å; I121-E124 HydrophobicContact CD1-CB 4.24Å; I121-E124 WeakPolarHBondContact CD1-OE2 3.28Å; I121-E124 PolarHBondContact O-N 3.29Å; I121-E124 VanDerWaalsContact O-N 3.15Å; E124-D127 PolarHBondContact O-N 3.26Å; E124-T128 WeakPolarHBondContact O-CB 3.48Å; E124-T128 PolarHBondContact O-N 3.4Å; E124-T128 PolarHBondContact O-OG1 3.28Å
125M98.6Very high97Very high0 Ų055.6 Ų55.60%033%0.326CS..Hα-helixtrans-63.8-41174.6-67.4-168.574.400111.9A78 P80 V112 I121 V123 T128 F129 F162A78-M125 HydrophobicContact CB-CB 4.45Å; A78-M125 HydrophobicContact CB-CE 4.16Å; A78-M125 VanDerWaalsContact O-CA 3.31Å; A78-M125 WeakPolarHBondContact O-CA 3.32Å; A78-M125 WeakPolarHBondContact O-CB 3.29Å; A78-M125 WeakPolarHBondContact O-CE 3.42Å; A78-M125 WeakPolarHBondContact O-CG 3.45Å; P80-M125 HydrophobicContact CG-CG 4.19Å; V112-M125 HydrophobicContact CB-SD 4.42Å; V112-M125 HydrophobicContact CG2-SD 3.95Å; I121-M125 HydrophobicContact CG1-CG 4Å; I121-M125 HydrophobicContact CG1-SD 4.48Å; I121-M125 HydrophobicContact CG2-CG 4.22Å; I121-M125 HydrophobicContact CG2-SD 3.81Å; I121-M125 WeakPolarHBondContact O-CG 3.4Å; I121-M125 PolarHBondContact O-N 2.85Å; V123-M125 PolarHBondContact O-N 3.36Å; M125-T128 PolarHBondContact O-N 2.72Å; M125-F129 WeakPolarHBondContact O-CB 3.26Å; M125-F129 PolarHBondContact O-N 2.92Å; M125-F162 HydrophobicContact CB-CD2 3.65Å; M125-F162 HydrophobicContact CB-CE1 4.5Å; M125-F162 HydrophobicContact CB-CE2 3.42Å; M125-F162 VanDerWaalsContact CB-CE2 3.42Å; M125-F162 HydrophobicContact CB-CG 4.3Å; M125-F162 HydrophobicContact CB-CZ 3.89Å; M125-F162 HydrophobicContact CE-CB 3.63Å; M125-F162 HydrophobicContact CE-CD2 3.81Å; M125-F162 HydrophobicContact CE-CG 3.79Å; M125-F162 HydrophobicContact CG-CD2 4.29Å; M125-F162 HydrophobicContact CG-CE2 4.43Å; M125-F162 HydrophobicContact SD-CB 4.49Å; M125-F162 HydrophobicContact SD-CD2 3.71Å; M125-F162 HydrophobicContact SD-CE2 4.37Å; M125-F162 HydrophobicContact SD-CG 4.32Å
126E98.8Very high97.5Very high37 Ų3751.6 Ų51.617%0.17329%0.285CS..Hα-helixtrans-66-44.7178-164.7177.7134.900111.8A122 V123 T128 F129 V130 F162 I172 K175A122-E126 WeakPolarHBondContact O-CB 3.38Å; A122-E126 PolarHBondContact O-N 3.24Å; V123-E126 PolarHBondContact O-N 3.08Å; E126-T128 VanDerWaalsContact C-N 3.32Å; E126-T128 PolarHBondContact O-N 3.48Å; E126-F129 PolarHBondContact O-N 3.27Å; E126-V130 HydrophobicContact CG-CG2 4.44Å; E126-V130 WeakPolarHBondContact O-CG2 3.36Å; E126-V130 PolarHBondContact O-N 3.38Å; E126-F162 HydrophobicContact CB-CZ 3.89Å; E126-F162 HydrophobicContact CG-CZ 4.42Å; E126-I172 HydrophobicContact CG-CD1 4.03Å; E126-I172 HydrophobicContact CG-CG1 3.91Å; E126-K175 VanDerWaalsContact OE1-CD 3.32Å; E126-K175 WeakPolarHBondContact OE1-CD 3.25Å; E126-K175 VanDerWaalsContact OE1-CE 3.27Å; E126-K175 WeakPolarHBondContact OE1-CE 3.41Å; E126-K175 IonicContact OE1-NZ 3.04Å; E126-K175 PolarHBondContact OE1-NZ 3.03Å
127D98.7Very high97.7Very high84 Ų8449.6 Ų49.645%0.44927%0.268SS..Hα-helixtrans-60.5-44.6176.9-76.2-17.9000110.8V123 E124 F129 V130 Q131V123-D127 PolarHBondContact O-N 2.96Å; E124-D127 PolarHBondContact O-N 3.26Å; D127-F129 VanDerWaalsContact C-N 3.34Å; D127-F129 PolarHBondContact O-N 2.78Å; D127-V130 PolarHBondContact O-N 3.26Å; D127-Q131 VanDerWaalsContact O-CG 3.26Å; D127-Q131 WeakPolarHBondContact O-CG 3.45Å; D127-Q131 PolarHBondContact O-N 3.25Å
128T98.8Very high97.9Very high9 Ų949.5 Ų49.56%0.05527%0.268CS..Hα-helixtrans-58.3-47.4173.8-57.90000110.8E83 E124 M125 E126 Q131 N132E83-T128 HydrophobicContact CG-CG2 4.08Å; E124-T128 WeakPolarHBondContact O-CB 3.48Å; E124-T128 PolarHBondContact O-N 3.4Å; E124-T128 PolarHBondContact O-OG1 3.28Å; M125-T128 PolarHBondContact O-N 2.72Å; E126-T128 VanDerWaalsContact C-N 3.32Å; E126-T128 PolarHBondContact O-N 3.48Å; T128-Q131 PolarHBondContact O-N 3.39Å; T128-N132 WeakPolarHBondContact O-CB 3.33Å; T128-N132 PolarHBondContact O-N 3.33Å
129F98.9Very high98.1Very high0 Ų047.9 Ų47.90%027%0.266CS..Hα-helixtrans-65.8-44.9-177.7-162.1-153.9000112.1G77 A78 A109 M125 E126 D127 Q131 N132 L133 I149 F162 L163 I172G77-F129 VanDerWaalsContact C-CD2 3.47Å; G77-F129 WeakPolarHBondContact O-CA 3.35Å; G77-F129 WeakPolarHBondContact O-CD2 3.19Å; A78-F129 HydrophobicContact CB-CB 3.61Å; A78-F129 HydrophobicContact CB-CD1 4.31Å; A78-F129 HydrophobicContact CB-CD2 4.15Å; A78-F129 HydrophobicContact CB-CG 3.79Å; A109-F129 HydrophobicContact CB-CD1 4.49Å; A109-F129 HydrophobicContact CB-CE1 3.93Å; A109-F129 HydrophobicContact CB-CE2 4.18Å; A109-F129 HydrophobicContact CB-CZ 3.74Å; M125-F129 WeakPolarHBondContact O-CB 3.26Å; M125-F129 PolarHBondContact O-N 2.92Å; E126-F129 PolarHBondContact O-N 3.27Å; D127-F129 VanDerWaalsContact C-N 3.34Å; D127-F129 PolarHBondContact O-N 2.78Å; F129-Q131 VanDerWaalsContact C-N 3.31Å; F129-Q131 PolarHBondContact O-N 3.46Å; F129-N132 PolarHBondContact O-N 2.93Å; F129-L133 HydrophobicContact CD1-CD1 3.94Å; F129-L133 HydrophobicContact CD2-CD1 3.9Å; F129-L133 HydrophobicContact CD2-CD2 4.17Å; F129-L133 HydrophobicContact CD2-CG 3.72Å; F129-L133 HydrophobicContact CE1-CD1 3.86Å; F129-L133 HydrophobicContact CE2-CD1 3.84Å; F129-L133 HydrophobicContact CE2-CD2 3.63Å; F129-L133 HydrophobicContact CE2-CG 3.68Å; F129-L133 HydrophobicContact CG-CD1 3.97Å; F129-L133 HydrophobicContact CG-CG 4.23Å; F129-L133 HydrophobicContact CZ-CD1 3.82Å; F129-L133 HydrophobicContact CZ-CD2 4.03Å; F129-L133 HydrophobicContact CZ-CG 4.15Å; F129-L133 VanDerWaalsContact O-CB 3.3Å; F129-L133 WeakPolarHBondContact O-CB 3.43Å; F129-L133 WeakPolarHBondContact O-CG 3.31Å; F129-L133 PolarHBondContact O-N 3.43Å; F129-I149 HydrophobicContact CE1-CB 4.46Å; F129-I149 HydrophobicContact CE1-CD1 4.49Å; F129-I149 HydrophobicContact CE1-CG2 4.15Å; F129-I149 HydrophobicContact CE2-CG2 4.37Å; F129-I149 HydrophobicContact CZ-CB 4.14Å; F129-I149 HydrophobicContact CZ-CG2 3.57Å; F129-F162 HydrophobicContact CB-CE1 4.37Å; F129-F162 HydrophobicContact CD1-CD1 4.32Å; F129-F162 AromaticContact CD1-CE1 3.97Å; F129-F162 HydrophobicContact CD1-CE1 3.97Å; F129-L163 HydrophobicContact CE1-CD2 4.18Å; F129-I172 HydrophobicContact CD1-CD1 3.93Å; F129-I172 HydrophobicContact CD1-CG2 4.08Å; F129-I172 HydrophobicContact CE1-CD1 4.42Å; F129-I172 HydrophobicContact CE1-CG2 4.41Å
130V98.9Very high98.3Very high13 Ų1344.1 Ų44.18%0.07924%0.235CC..Hα-helixtrans-60.3-42177.1170.60000110.9E126 D127 K134 I172 K175 V176E126-V130 HydrophobicContact CG-CG2 4.44Å; E126-V130 WeakPolarHBondContact O-CG2 3.36Å; E126-V130 PolarHBondContact O-N 3.38Å; D127-V130 PolarHBondContact O-N 3.26Å; V130-K134 HydrophobicContact CG1-CD 4.26Å; V130-K134 WeakPolarHBondContact O-CB 3.47Å; V130-K134 WeakPolarHBondContact O-CG 3.48Å; V130-K134 PolarHBondContact O-N 2.83Å; V130-I172 HydrophobicContact CG2-CG2 4.1Å; V130-K175 HydrophobicContact CG1-CB 4.16Å; V130-K175 HydrophobicContact CG2-CB 3.91Å; V130-K175 HydrophobicContact CG2-CD 4.26Å; V130-V176 HydrophobicContact CG1-CG2 4.35Å
131Q98.8Very high98.3Very high123 Ų12341 Ų4158%0.57522%0.217SC*.Hα-helixtrans-63.7-46.8177.1-71.5176.125.300111.9D127 T128 F129 K134 H135D127-Q131 VanDerWaalsContact O-CG 3.26Å; D127-Q131 WeakPolarHBondContact O-CG 3.45Å; D127-Q131 PolarHBondContact O-N 3.25Å; T128-Q131 PolarHBondContact O-N 3.39Å; F129-Q131 VanDerWaalsContact C-N 3.31Å; F129-Q131 PolarHBondContact O-N 3.46Å; Q131-K134 PolarHBondContact O-N 2.85Å; Q131-H135 PolarHBondContact O-N 2.93Å
132N98.9Very high98.2Very high1 Ų145.9 Ų45.91%0.00524%0.244CC..Hα-helixtrans-65.4-39178.2-82.2-25.8000112.5G77 F86 T128 F129 H135 A136G77-N132 WeakPolarHBondContact O-CB 3.34Å; G77-N132 PolarHBondContact O-ND2 3.41Å; F86-N132 HydrophobicContact CD1-CB 3.62Å; F86-N132 VanDerWaalsContact CD1-CG 3.46Å; F86-N132 HydrophobicContact CE1-CB 3.54Å; F86-N132 HydrophobicContact CG-CB 4.32Å; F86-N132 HydrophobicContact CZ-CB 4.15Å; T128-N132 WeakPolarHBondContact O-CB 3.33Å; T128-N132 PolarHBondContact O-N 3.33Å; F129-N132 PolarHBondContact O-N 2.93Å; N132-H135 PolarHBondContact O-N 2.72Å; N132-A136 WeakPolarHBondContact O-CB 3.2Å; N132-A136 PolarHBondContact O-N 3.34Å
133L98.9Very high98.2Very high0 Ų047.9 Ų47.90%025%0.248CC..Hα-helixtrans-68.3-36.7175.8-70.2176.6000112.4L107 F129 A136 A137 I149 I172 V176 I181L107-L133 HydrophobicContact CB-CD2 4Å; L107-L133 HydrophobicContact CD1-CD2 3.45Å; L107-L133 VanDerWaalsContact CD1-CD2 3.45Å; L107-L133 HydrophobicContact CG-CD2 4.36Å; F129-L133 HydrophobicContact CD1-CD1 3.94Å; F129-L133 HydrophobicContact CD2-CD1 3.9Å; F129-L133 HydrophobicContact CD2-CD2 4.17Å; F129-L133 HydrophobicContact CD2-CG 3.72Å; F129-L133 HydrophobicContact CE1-CD1 3.86Å; F129-L133 HydrophobicContact CE2-CD1 3.84Å; F129-L133 HydrophobicContact CE2-CD2 3.63Å; F129-L133 HydrophobicContact CE2-CG 3.68Å; F129-L133 HydrophobicContact CG-CD1 3.97Å; F129-L133 HydrophobicContact CG-CG 4.23Å; F129-L133 HydrophobicContact CZ-CD1 3.82Å; F129-L133 HydrophobicContact CZ-CD2 4.03Å; F129-L133 HydrophobicContact CZ-CG 4.15Å; F129-L133 VanDerWaalsContact O-CB 3.3Å; F129-L133 WeakPolarHBondContact O-CB 3.43Å; F129-L133 WeakPolarHBondContact O-CG 3.31Å; F129-L133 PolarHBondContact O-N 3.43Å; L133-A136 PolarHBondContact O-N 3.09Å; L133-A137 VanDerWaalsContact O-CB 3.29Å; L133-A137 WeakPolarHBondContact O-CB 3.41Å; L133-A137 PolarHBondContact O-N 2.85Å; L133-I149 HydrophobicContact CD1-CG2 3.86Å; L133-I149 HydrophobicContact CD2-CG2 3.57Å; L133-I149 HydrophobicContact CG-CG2 4.37Å; L133-I172 HydrophobicContact CD1-CG2 3.6Å; L133-V176 HydrophobicContact CB-CG1 4.28Å; L133-V176 HydrophobicContact CB-CG2 3.54Å; L133-V176 HydrophobicContact CD1-CG2 3.77Å; L133-V176 HydrophobicContact CG-CG2 4.33Å; L133-I181 HydrophobicContact CD2-CG2 4.36Å
134K98.8Very high98.2Very high95 Ų9545.6 Ų45.641%0.41325%0.245SC..Hα-helixtrans-63.1-46.6172.7-78.1177.6177.6179.70111.4V130 Q131 A136 A137 D138 K175 V176V130-K134 HydrophobicContact CG1-CD 4.26Å; V130-K134 WeakPolarHBondContact O-CB 3.47Å; V130-K134 WeakPolarHBondContact O-CG 3.48Å; V130-K134 PolarHBondContact O-N 2.83Å; Q131-K134 PolarHBondContact O-N 2.85Å; K134-A136 VanDerWaalsContact C-N 3.35Å; K134-A136 PolarHBondContact O-N 3.44Å; K134-A137 WeakPolarHBondContact O-CB 3.43Å; K134-A137 PolarHBondContact O-N 2.97Å; K134-D138 PolarHBondContact O-N 3.49Å; K134-D138 VanDerWaalsContact O-N 3.13Å; K134-K175 WeakPolarHBondContact CE-O 3.49Å; K134-K175 PolarHBondContact NZ-O 3.44Å; K134-V176 WeakPolarHBondContact CE-O 3.25Å; K134-V176 HydrophobicContact CG-CG1 4.24Å
135H98.7Very high98.2Very high56 Ų5640.9 Ų40.926%0.25922%0.222SC..Hα-helixtrans-58.3-47.3173.7175.973.4000111.7Q131 N132 A137 D138 V139Q131-H135 PolarHBondContact O-N 2.93Å; N132-H135 PolarHBondContact O-N 2.72Å; H135-A137 VanDerWaalsContact C-N 3.31Å; H135-A137 PolarHBondContact O-N 3.33Å; H135-D138 PolarHBondContact O-N 3.12Å; H135-V139 WeakPolarHBondContact O-CG2 3.31Å; H135-V139 PolarHBondContact O-N 2.91Å
136A98.8Very high98.2Very high0 Ų042.5 Ų42.50%023%0.232CC..Hα-helixtrans-61.7-39176.900000112F86 L90 L107 N132 L133 K134 D138 V139 L140F86-A136 HydrophobicContact CE1-CB 4.48Å; F86-A136 HydrophobicContact CZ-CB 4.31Å; L90-A136 HydrophobicContact CD2-CB 3.69Å; L107-A136 HydrophobicContact CD1-CB 3.61Å; L107-A136 HydrophobicContact CD2-CB 4.34Å; N132-A136 WeakPolarHBondContact O-CB 3.2Å; N132-A136 PolarHBondContact O-N 3.34Å; L133-A136 PolarHBondContact O-N 3.09Å; K134-A136 VanDerWaalsContact C-N 3.35Å; K134-A136 PolarHBondContact O-N 3.44Å; A136-D138 PolarHBondContact O-N 3.47Å; A136-V139 PolarHBondContact O-N 3.33Å; A136-L140 HydrophobicContact CB-CD1 4.36Å; A136-L140 WeakPolarHBondContact O-CB 3.46Å; A136-L140 WeakPolarHBondContact O-CG 3.33Å; A136-L140 PolarHBondContact O-N 3.13Å
137A98.7Very high98.2Very high0 Ų040.7 Ų40.70%022%0.224CC..Hα-helixtrans-57.7-49.417800000111.7L133 K134 H135 S141 H178 N180 I181L133-A137 VanDerWaalsContact O-CB 3.29Å; L133-A137 WeakPolarHBondContact O-CB 3.41Å; L133-A137 PolarHBondContact O-N 2.85Å; K134-A137 WeakPolarHBondContact O-CB 3.43Å; K134-A137 PolarHBondContact O-N 2.97Å; H135-A137 VanDerWaalsContact C-N 3.31Å; H135-A137 PolarHBondContact O-N 3.33Å; A137-S141 WeakPolarHBondContact O-CB 3.49Å; A137-S141 PolarHBondContact O-N 3.16Å; A137-S141 PolarHBondContact O-OG 3.37Å; A137-H178 HydrophobicContact CB-CB 3.72Å; A137-N180 PolarHBondContact O-ND2 2.9Å; A137-I181 HydrophobicContact CB-CD1 3.89Å; A137-I181 HydrophobicContact CB-CG1 3.57Å
138D97.9Very high98.2Very high91 Ų9136.7 Ų36.749%0.48720%0.203SC..Hα-helixtrans-58.6-51.8179.3-67.5-27000110.7K134 H135 A136 S141 N142K134-D138 PolarHBondContact O-N 3.49Å; K134-D138 VanDerWaalsContact O-N 3.13Å; H135-D138 PolarHBondContact O-N 3.12Å; A136-D138 PolarHBondContact O-N 3.47Å; D138-S141 PolarHBondContact O-OG 3.29Å; D138-N142 PolarHBondContact O-ND2 3.26Å; D138-N142 VanDerWaalsContact O-ND2 3.11Å
139V97.8Very high98.2Very high40 Ų4036.3 Ų36.324%0.24220%0.2CC..Hα-helixtrans-66.9-45.6-176.2-175.40000111.5M94 H135 A136 S141M94-V139 HydrophobicContact CE-CG1 3.49Å; M94-V139 VanDerWaalsContact CE-CG1 3.49Å; M94-V139 HydrophobicContact SD-CB 4.46Å; M94-V139 HydrophobicContact SD-CG1 3.33Å; M94-V139 WeakPolarHBondContact SD-CG1 3.36Å; H135-V139 WeakPolarHBondContact O-CG2 3.31Å; H135-V139 PolarHBondContact O-N 2.91Å; A136-V139 PolarHBondContact O-N 3.33Å; V139-S141 PolarHBondContact O-N 3.48Å
140L98.5Very high98.2Very high0 Ų036.6 Ų36.60%020%0.201CC..Hα-helixtrans-69.5-33.2-178-65.5176.9000112.6L90 M94 I105 L107 A136 N142 E143 G144 I145L90-L140 HydrophobicContact CD1-CD1 4.45Å; L90-L140 HydrophobicContact CD1-CD2 4.1Å; L90-L140 HydrophobicContact CD1-CG 4.42Å; M94-L140 HydrophobicContact CG-CD2 3.84Å; M94-L140 HydrophobicContact SD-CD2 4.08Å; I105-L140 HydrophobicContact CD1-CD2 3.9Å; L107-L140 HydrophobicContact CD1-CD1 4.42Å; L107-L140 HydrophobicContact CD2-CD1 4.42Å; A136-L140 HydrophobicContact CB-CD1 4.36Å; A136-L140 WeakPolarHBondContact O-CB 3.46Å; A136-L140 WeakPolarHBondContact O-CG 3.33Å; A136-L140 PolarHBondContact O-N 3.13Å; L140-N142 VanDerWaalsContact C-N 3.3Å; L140-N142 PolarHBondContact O-N 2.77Å; L140-E143 PolarHBondContact O-N 3.42Å; L140-E143 VanDerWaalsContact O-N 3.11Å; L140-G144 PolarHBondContact O-N 2.84Å; L140-I145 HydrophobicContact CB-CB 4.15Å; L140-I145 HydrophobicContact CB-CG2 4.44Å; L140-I145 HydrophobicContact CD2-CB 4.04Å; L140-I145 HydrophobicContact CD2-CD1 4.44Å; L140-I145 HydrophobicContact CD2-CG2 3.81Å; L140-I145 HydrophobicContact CG-CG2 4.48Å; L140-I145 PolarHBondContact O-N 3.33Å
141S97.1Very high98.2Very high47 Ų4736 Ų3633%0.32920%0.198SC..Hα-helixtrans-63.7-36.6-178.570.10000112.4A137 D138 V139 E143 G144 N180A137-S141 WeakPolarHBondContact O-CB 3.49Å; A137-S141 PolarHBondContact O-N 3.16Å; A137-S141 PolarHBondContact O-OG 3.37Å; D138-S141 PolarHBondContact O-OG 3.29Å; V139-S141 PolarHBondContact O-N 3.48Å; S141-E143 PolarHBondContact O-N 3.39Å; S141-G144 PolarHBondContact O-N 2.96Å; S141-G144 VanDerWaalsContact O-N 3.11Å; S141-N180 WeakPolarHBondContact CA-ND2 3.35Å; S141-N180 WeakPolarHBondContact CB-ND2 3.48Å; S141-N180 PolarHBondContact N-ND2 2.8Å; S141-N180 VanDerWaalsContact N-ND2 3.18Å
142N94.8Very high98.2Very high133 Ų13330.9 Ų30.971%0.71117%0.174SC*.THydrogen-bonded Turntrans-62.1-22.8176.4-68.3-39.5000112.9D138 L140D138-N142 PolarHBondContact O-ND2 3.26Å; D138-N142 VanDerWaalsContact O-ND2 3.11Å; L140-N142 VanDerWaalsContact C-N 3.3Å; L140-N142 PolarHBondContact O-N 2.77Å
143E96.4Very high98.2Very high74 Ų7430.8 Ų30.835%0.34617%0.174SC..THydrogen-bonded Turntrans-104.21.5-178.4-57.4-62.8170.100112.6K98 R103 L140 S141 I145K98-E143 WeakPolarHBondContact CE-OE1 3.17Å; K98-E143 WeakPolarHBondContact CE-OE2 3.46Å; K98-E143 IonicContact NZ-OE1 2.66Å; K98-E143 PolarHBondContact NZ-OE1 2.91Å; K98-E143 IonicContact NZ-OE2 3.08Å; K98-E143 PolarHBondContact NZ-OE2 3.29Å; R103-E143 PolarHBondContact NH1-O 3.18Å; R103-E143 VanDerWaalsContact NH1-O 3.13Å; L140-E143 PolarHBondContact O-N 3.42Å; L140-E143 VanDerWaalsContact O-N 3.11Å; S141-E143 PolarHBondContact O-N 3.39Å; E143-I145 HydrophobicContact CB-CD1 3.94Å; E143-I145 HydrophobicContact CB-CG1 4.01Å; E143-I145 PolarHBondContact O-N 3.01Å
144G97Very high98.1Very high51 Ų5132.2 Ų32.253%0.52618%0.183SC..THydrogen-bonded Turntrans63.329.3-173.700000113L140 S141L140-G144 PolarHBondContact O-N 2.84Å; S141-G144 PolarHBondContact O-N 2.96Å; S141-G144 VanDerWaalsContact O-N 3.11Å
145I98.5Very high98Very high4 Ų434.9 Ų34.92%0.02119%0.19CC..PPolyproline II helixtrans-98.1138.5177.2-61.6173.7000109.3A97 I105 L140 E143 N180A97-I145 HydrophobicContact CB-CD1 3.99Å; I105-I145 HydrophobicContact CD1-CG2 4.09Å; I105-I145 HydrophobicContact CG1-CG2 3.97Å; L140-I145 HydrophobicContact CB-CB 4.15Å; L140-I145 HydrophobicContact CB-CG2 4.44Å; L140-I145 HydrophobicContact CD2-CB 4.04Å; L140-I145 HydrophobicContact CD2-CD1 4.44Å; L140-I145 HydrophobicContact CD2-CG2 3.81Å; L140-I145 HydrophobicContact CG-CG2 4.48Å; L140-I145 PolarHBondContact O-N 3.33Å; E143-I145 HydrophobicContact CB-CD1 3.94Å; E143-I145 HydrophobicContact CB-CG1 4.01Å; E143-I145 PolarHBondContact O-N 3.01Å; I145-N180 PolarHBondContact O-ND2 3.13Å
146T98.8Very high97.9Very high34 Ų3437.1 Ų37.121%0.20920%0.203CC..EExtended strand (participates in β ladder)trans-92.8124.1172.2-59.40000109.6R103 R104 I105 L148 N180 K182R103-T146 PolarHBondContact O-N 3.38Å; R104-T146 VanDerWaalsContact CA-O 3.27Å; R104-T146 WeakPolarHBondContact CA-O 3.45Å; I105-T146 PolarHBondContact N-O 3.16Å; T146-L148 HydrophobicContact CG2-CD2 3.91Å; T146-N180 CarbonylContact C-O 3.57Å; T146-N180 VanDerWaalsContact CA-O 3.29Å; T146-N180 WeakPolarHBondContact CA-O 3.42Å; T146-N180 VanDerWaalsContact CG2-O 3.32Å; T146-N180 WeakPolarHBondContact CG2-O 3.11Å; T146-K182 HydrophobicContact CG2-CB 4.08Å; T146-K182 HydrophobicContact CG2-CD 4.08Å; T146-K182 HydrophobicContact CG2-CG 3.99Å
147G98.9Very high97.8Very high0 Ų039.6 Ų39.60%022%0.218CC..EExtended strand (participates in β ladder)trans-80.1140.6166.500000110.3I105 N180 I181 K182I105-G147 CarbonylContact O-C 3.47Å; I105-G147 WeakPolarHBondContact O-CA 3.26Å; G147-N180 PolarHBondContact N-O 3.36Å; G147-I181 CarbonylContact O-C 3.58Å; G147-I181 VanDerWaalsContact O-CA 3.31Å; G147-I181 WeakPolarHBondContact O-CA 3.49Å; G147-K182 PolarHBondContact O-N 2.86Å
148L98.9Very high97.7Very high0 Ų040 Ų400%022%0.221CC..EExtended strand (participates in β ladder)trans-119.3145.7176.6-58.2177.5000110.5L61 R104 I105 H106 L107 T146 K182 Q184 H210L61-L148 HydrophobicContact CD1-CD1 3.66Å; R104-L148 HydrophobicContact CB-CD1 4.05Å; R104-L148 HydrophobicContact CB-CG 4.46Å; I105-L148 PolarHBondContact O-N 3.25Å; H106-L148 WeakPolarHBondContact CA-O 3.23Å; H106-L148 HydrophobicContact CB-CB 4.44Å; H106-L148 PolarHBondContact CD2-O 3.09Å; L107-L148 PolarHBondContact N-O 3.38Å; T146-L148 HydrophobicContact CG2-CD2 3.91Å; L148-K182 CarbonylContact C-O 3.58Å; L148-K182 VanDerWaalsContact CA-O 3.3Å; L148-K182 WeakPolarHBondContact CA-O 3.09Å; L148-K182 HydrophobicContact CD2-CB 3.83Å; L148-Q184 HydrophobicContact CB-CB 4.15Å; L148-Q184 HydrophobicContact CD1-CB 4.32Å; L148-H210 HydrophobicContact CD1-CB 3.52Å
149I98.9Very high97.6Very high0 Ų040.3 Ų40.30%023%0.227CC..EExtended strand (participates in β ladder)trans-119.3136.4165.667.7175.3000109.3F129 L133 L163 A169 I172 L173 I181 K182 L183 Q184F129-I149 HydrophobicContact CE1-CB 4.46Å; F129-I149 HydrophobicContact CE1-CD1 4.49Å; F129-I149 HydrophobicContact CE1-CG2 4.15Å; F129-I149 HydrophobicContact CE2-CG2 4.37Å; F129-I149 HydrophobicContact CZ-CB 4.14Å; F129-I149 HydrophobicContact CZ-CG2 3.57Å; L133-I149 HydrophobicContact CD1-CG2 3.86Å; L133-I149 HydrophobicContact CD2-CG2 3.57Å; L133-I149 HydrophobicContact CG-CG2 4.37Å; I149-L163 HydrophobicContact CB-CD2 3.83Å; I149-L163 HydrophobicContact CD1-CD2 4.08Å; I149-L163 HydrophobicContact CG1-CD2 4.05Å; I149-A169 HydrophobicContact CD1-CB 4.03Å; I149-A169 HydrophobicContact CG1-CB 4.39Å; I149-I172 HydrophobicContact CD1-CB 4.49Å; I149-I172 HydrophobicContact CD1-CG2 4.25Å; I149-L173 HydrophobicContact CD1-CD2 3.75Å; I149-L173 HydrophobicContact CD1-CG 3.82Å; I149-L173 HydrophobicContact CG1-CD2 4.07Å; I149-L173 HydrophobicContact CG1-CG 4.37Å; I149-I181 HydrophobicContact CG2-CG2 4.41Å; I149-K182 PolarHBondContact N-O 3Å; I149-L183 WeakPolarHBondContact O-CD1 3.17Å; I149-Q184 PolarHBondContact O-N 2.87Å
150E98.9Very high97.6Very high6 Ų642.4 Ų42.43%0.02823%0.231CC..  trans-121.8119.2-175-168.2-169.3176.200110.9H106 I152 Q184 D186 H189 Q212H106-E150 VanDerWaalsContact CE1-CB 3.4Å; H106-E150 WeakPolarHBondContact CE1-CB 3.48Å; H106-E150 IonicContact CE1-OE2 3.82Å; H106-E150 PolarHBondContact CE1-OE2 2.71Å; H106-E150 IonicContact ND1-OE2 3.38Å; H106-E150 PolarHBondContact ND1-OE2 2.82Å; H106-E150 WeakPolarHBondContact NE2-CB 3.36Å; H106-E150 IonicContact NE2-OE2 3.4Å; E150-I152 HydrophobicContact CB-CD1 4.41Å; E150-I152 VanDerWaalsContact CD-CD1 3.42Å; E150-I152 HydrophobicContact CG-CD1 3.89Å; E150-I152 PolarHBondContact O-N 2.77Å; E150-Q184 HydrophobicContact CB-CB 3.94Å; E150-Q184 HydrophobicContact CB-CG 4.23Å; E150-Q184 VanDerWaalsContact CD-NE2 3.31Å; E150-Q184 HydrophobicContact CG-CB 4.09Å; E150-Q184 HydrophobicContact CG-CG 3.97Å; E150-Q184 PolarHBondContact OE2-NE2 3.13Å; E150-Q184 VanDerWaalsContact OE2-NE2 3.08Å; E150-D186 WeakPolarHBondContact OE1-CB 3.3Å; E150-H189 IonicContact OE1-CD2 3.25Å; E150-H189 PolarHBondContact OE1-CD2 3.14Å; E150-H189 IonicContact OE1-NE2 4Å; E150-Q212 PolarHBondContact OE1-OE1 3.49Å
151P98.6Very high97.6Very high2 Ų242.4 Ų42.41%0.01323%0.231CC..  trans-68.1124.3167.4-19.732.8000111.7L163 S165 A169 L183 H189P151-L163 CarbonylContact C-O 3.52Å; P151-L163 VanDerWaalsContact CA-O 3.24Å; P151-L163 WeakPolarHBondContact CA-O 3.33Å; P151-L163 HydrophobicContact CB-CG 4.33Å; P151-L163 HydrophobicContact CG-CD2 4.33Å; P151-L163 HydrophobicContact CG-CG 4.24Å; P151-S165 WeakPolarHBondContact CG-O 3.38Å; P151-A169 HydrophobicContact CG-CB 3.72Å; P151-L183 HydrophobicContact CG-CD1 3.97Å; P151-H189 VanDerWaalsContact O-CB 3.25Å; P151-H189 WeakPolarHBondContact O-CB 3.32Å
152I98.5Very high97.6Very high14 Ų1440.3 Ų40.37%0.07222%0.216CC..  trans-108.4135.7178.7-53.8-63.5000109.5E150 T157 Y161 L163 D164 H189E150-I152 HydrophobicContact CB-CD1 4.41Å; E150-I152 VanDerWaalsContact CD-CD1 3.42Å; E150-I152 HydrophobicContact CG-CD1 3.89Å; E150-I152 PolarHBondContact O-N 2.77Å; I152-T157 HydrophobicContact CG2-CG2 3.47Å; I152-T157 VanDerWaalsContact CG2-CG2 3.47Å; I152-Y161 HydrophobicContact CB-CD1 3.41Å; I152-Y161 VanDerWaalsContact CB-CD1 3.41Å; I152-Y161 HydrophobicContact CB-CE1 3.73Å; I152-Y161 HydrophobicContact CB-CG 3.87Å; I152-Y161 HydrophobicContact CG1-CD1 3.54Å; I152-Y161 HydrophobicContact CG1-CE1 3.26Å; I152-Y161 HydrophobicContact CG1-CE2 4.31Å; I152-Y161 HydrophobicContact CG1-CG 4.14Å; I152-Y161 HydrophobicContact CG2-CD1 4.44Å; I152-Y161 HydrophobicContact CG2-CG 4.45Å; I152-L163 PolarHBondContact N-O 3.42Å; I152-D164 WeakPolarHBondContact O-CA 3.4Å; I152-H189 WeakPolarHBondContact CD1-NE2 3.37Å
153N98.2Very high97.8Very high0 Ų034 Ų340%018%0.182CC..  trans-67.4138.1-178.779.369.9000112.6I156 T157 D158 F188 H189 I192 M193N153-I156 WeakPolarHBondContact OD1-CG1 3.42Å; N153-I156 PolarHBondContact OD1-N 3.05Å; N153-T157 PolarHBondContact ND2-OG1 3.29Å; N153-T157 WeakPolarHBondContact O-CB 3.43Å; N153-T157 PolarHBondContact OD1-N 2.8Å; N153-T157 PolarHBondContact OD1-OG1 2.84Å; N153-D158 PolarHBondContact O-N 3.48Å; N153-F188 WeakPolarHBondContact ND2-CE1 3.44Å; N153-H189 HydrophobicContact CB-CB 4.44Å; N153-H189 PolarHBondContact N-ND1 3.31Å; N153-H189 PolarHBondContact ND2-ND1 2.77Å; N153-I192 HydrophobicContact CB-CB 4.04Å; N153-I192 HydrophobicContact CB-CG2 3.69Å; N153-I192 WeakPolarHBondContact ND2-CD1 3.32Å; N153-M193 HydrophobicContact CB-CG 3.44Å; N153-M193 VanDerWaalsContact CB-CG 3.44Å; N153-M193 HydrophobicContact CB-SD 3.86Å
154T97.3Very high97.8Very high30 Ų3032 Ų3218%0.18417%0.174CC..THydrogen-bonded Turntrans-93-3.6178.154.10000113.5D158 P159 D164 M193T154-D158 VanDerWaalsContact CA-O 3.32Å; T154-D158 WeakPolarHBondContact CA-O 3.16Å; T154-D158 WeakPolarHBondContact CG2-O 3.34Å; T154-P159 VanDerWaalsContact O-CA 3.26Å; T154-P159 WeakPolarHBondContact O-CA 3.49Å; T154-D164 HydrophobicContact CG2-CB 3.65Å; T154-M193 WeakPolarHBondContact OG1-CE 3.27Å
155R97.1Very high97.8Very high150 Ų15030.7 Ų30.757%0.56616%0.156SC*.THydrogen-bonded Turntrans-81-42.3-178.1-66179.3-172.4161.510.4112.4I192 M193R155-I192 HydrophobicContact CB-CG2 3.83Å; R155-I192 WeakPolarHBondContact CD-O 3.45Å; R155-I192 HydrophobicContact CG-CG2 4.27Å; R155-I192 PolarHBondContact NH1-O 3.39Å; R155-M193 HydrophobicContact CG-SD 3.85Å; R155-M193 PolarHBondContact NH2-O 2.92Å
156I96.3Very high97.7Very high103 Ų10330.5 Ų30.553%0.52816%0.156SC..THydrogen-bonded Turntrans-135.6-25.2-174.967.2172.5000114.4N153 F188 I192N153-I156 WeakPolarHBondContact OD1-CG1 3.42Å; N153-I156 PolarHBondContact OD1-N 3.05Å; I156-F188 HydrophobicContact CD1-CE1 4.42Å; I156-F188 HydrophobicContact CD1-CE2 4.35Å; I156-F188 HydrophobicContact CD1-CZ 3.65Å; I156-F188 HydrophobicContact CG1-CZ 4.32Å; I156-I192 HydrophobicContact CD1-CD1 3.49Å; I156-I192 VanDerWaalsContact CD1-CD1 3.49Å; I156-I192 HydrophobicContact CG1-CD1 3.89Å
157T96.2Very high97.7Very high52 Ų5232.5 Ų32.532%0.31916%0.162SC..THydrogen-bonded Turntrans-84.6-57.6-179.9-60.40000111.1I152 N153 H189I152-T157 HydrophobicContact CG2-CG2 3.47Å; I152-T157 VanDerWaalsContact CG2-CG2 3.47Å; N153-T157 PolarHBondContact ND2-OG1 3.29Å; N153-T157 WeakPolarHBondContact O-CB 3.43Å; N153-T157 PolarHBondContact OD1-N 2.8Å; N153-T157 PolarHBondContact OD1-OG1 2.84Å; T157-H189 PolarHBondContact OG1-CE1 3.17Å
158D96.8Very high97.6Very high10 Ų1034.3 Ų34.35%0.05317%0.171CC..  trans-155103.8179.1-166-56.2000112.8L74 R111 N153 T154 R160 Y161L74-D158 HydrophobicContact CD2-CB 4.49Å; R111-D158 IonicContact CZ-OD2 3.83Å; R111-D158 IonicContact NE-OD1 3.63Å; R111-D158 IonicContact NE-OD2 3Å; R111-D158 PolarHBondContact NE-OD2 3.2Å; R111-D158 IonicContact NH2-OD2 3.74Å; R111-D158 PolarHBondContact NH2-OD2 2.8Å; N153-D158 PolarHBondContact O-N 3.48Å; T154-D158 VanDerWaalsContact CA-O 3.32Å; T154-D158 WeakPolarHBondContact CA-O 3.16Å; T154-D158 WeakPolarHBondContact CG2-O 3.34Å; D158-R160 PolarHBondContact O-N 3.04Å; D158-R160 WeakPolarHBondContact OD1-CA 3.14Å; D158-R160 PolarHBondContact OD1-N 3.48Å; D158-Y161 PolarHBondContact O-N 2.71Å; D158-Y161 VanDerWaalsContact O-N 3.12Å; D158-Y161 PolarHBondContact OD1-N 3.19Å; D158-Y161 VanDerWaalsContact OD1-N 3.16Å
159P96.1Very high97.6Very high96 Ų9634.3 Ų34.362%0.62317%0.171SC*.THydrogen-bonded Turntrans-57.5-20.7-178.5-26.535.1000115.6R118 T154R118-P159 PolarHBondContact NH2-O 3.08Å; T154-P159 VanDerWaalsContact O-CA 3.26Å; T154-P159 WeakPolarHBondContact O-CA 3.49Å
160R96.9Very high97.6Very high85 Ų8535 Ų3532%0.32118%0.177SC..THydrogen-bonded Turntrans-101.5-5.3-176.2-63.8-172.6-65.8134.4-5.4112.9R111 V112 V114 D158 F162R111-R160 CarbonylContact C-O 3.53Å; R111-R160 WeakPolarHBondContact CA-O 3.34Å; R111-R160 HydrophobicContact CB-CB 4.02Å; R111-R160 HydrophobicContact CG-CB 4.11Å; V112-R160 WeakPolarHBondContact CB-O 3.46Å; V112-R160 WeakPolarHBondContact CG2-O 3.49Å; V112-R160 PolarHBondContact N-O 3.46Å; V114-R160 VanDerWaalsContact CG2-NH1 3.28Å; D158-R160 PolarHBondContact O-N 3.04Å; D158-R160 WeakPolarHBondContact OD1-CA 3.14Å; D158-R160 PolarHBondContact OD1-N 3.48Å; R160-F162 PolarHBondContact O-N 3.26Å
161Y98.4Very high97.6Very high0 Ų036.8 Ų36.80%019%0.192CC..BIsolated β-bridgetrans-64.8133.5-174.3-159-104.1000112.6L74 A109 G110 R118 I152 D158 L163L74-Y161 HydrophobicContact CD2-CD2 3.92Å; L74-Y161 HydrophobicContact CD2-CE2 4.12Å; L74-Y161 HydrophobicContact CG-CE2 4.46Å; L74-Y161 WeakPolarHBondContact O-CE2 3.49Å; A109-Y161 HydrophobicContact CB-CE1 4.17Å; A109-Y161 PolarHBondContact N-OH 3.3Å; A109-Y161 VanDerWaalsContact N-OH 3.11Å; G110-Y161 WeakPolarHBondContact O-CD2 3.31Å; R118-Y161 PolarHBondContact NH1-O 3.31Å; R118-Y161 PolarHBondContact NH2-O 3.34Å; I152-Y161 HydrophobicContact CB-CD1 3.41Å; I152-Y161 VanDerWaalsContact CB-CD1 3.41Å; I152-Y161 HydrophobicContact CB-CE1 3.73Å; I152-Y161 HydrophobicContact CB-CG 3.87Å; I152-Y161 HydrophobicContact CG1-CD1 3.54Å; I152-Y161 HydrophobicContact CG1-CE1 3.26Å; I152-Y161 HydrophobicContact CG1-CE2 4.31Å; I152-Y161 HydrophobicContact CG1-CG 4.14Å; I152-Y161 HydrophobicContact CG2-CD1 4.44Å; I152-Y161 HydrophobicContact CG2-CG 4.45Å; D158-Y161 PolarHBondContact O-N 2.71Å; D158-Y161 VanDerWaalsContact O-N 3.12Å; D158-Y161 PolarHBondContact OD1-N 3.19Å; D158-Y161 VanDerWaalsContact OD1-N 3.16Å; Y161-L163 HydrophobicContact CD1-CB 4.44Å; Y161-L163 WeakPolarHBondContact CD1-O 3.35Å; Y161-L163 HydrophobicContact CE1-CB 4.14Å
162F98.5Very high97.6Very high2 Ų236.7 Ų36.71%0.00919%0.191CC..SBendtrans-68.5-47.3-169.6169.8-109.4000113.3A78 A109 G110 R118 M125 E126 F129 R160 Q168 I172A78-F162 HydrophobicContact CB-CB 4.39Å; A78-F162 HydrophobicContact CB-CD1 3.43Å; A78-F162 VanDerWaalsContact CB-CD1 3.43Å; A78-F162 HydrophobicContact CB-CE1 3.86Å; A78-F162 HydrophobicContact CB-CG 3.97Å; A109-F162 HydrophobicContact CB-CB 4.48Å; A109-F162 HydrophobicContact CB-CD1 4.22Å; G110-F162 WeakPolarHBondContact O-CB 3.45Å; G110-F162 PolarHBondContact O-N 3.22Å; R118-F162 PolarHBondContact NH1-O 3.04Å; M125-F162 HydrophobicContact CB-CD2 3.65Å; M125-F162 HydrophobicContact CB-CE1 4.5Å; M125-F162 HydrophobicContact CB-CE2 3.42Å; M125-F162 VanDerWaalsContact CB-CE2 3.42Å; M125-F162 HydrophobicContact CB-CG 4.3Å; M125-F162 HydrophobicContact CB-CZ 3.89Å; M125-F162 HydrophobicContact CE-CB 3.63Å; M125-F162 HydrophobicContact CE-CD2 3.81Å; M125-F162 HydrophobicContact CE-CG 3.79Å; M125-F162 HydrophobicContact CG-CD2 4.29Å; M125-F162 HydrophobicContact CG-CE2 4.43Å; M125-F162 HydrophobicContact SD-CB 4.49Å; M125-F162 HydrophobicContact SD-CD2 3.71Å; M125-F162 HydrophobicContact SD-CE2 4.37Å; M125-F162 HydrophobicContact SD-CG 4.32Å; E126-F162 HydrophobicContact CB-CZ 3.89Å; E126-F162 HydrophobicContact CG-CZ 4.42Å; F129-F162 HydrophobicContact CB-CE1 4.37Å; F129-F162 HydrophobicContact CD1-CD1 4.32Å; F129-F162 AromaticContact CD1-CE1 3.97Å; F129-F162 HydrophobicContact CD1-CE1 3.97Å; R160-F162 PolarHBondContact O-N 3.26Å; F162-Q168 PolarHBondContact O-NE2 3.3Å; F162-Q168 VanDerWaalsContact O-NE2 3.11Å; F162-Q168 PolarHBondContact O-OE1 2.87Å; F162-I172 HydrophobicContact CE1-CD1 4.06Å
163L98.5Very high97.6Very high1 Ų136.7 Ų36.71%0.00519%0.192CC..  trans-93105.5-176.6-176.268.6000109.5A109 F129 I149 P151 I152 Y161 Q168 A169 I172A109-L163 HydrophobicContact CB-CB 4.01Å; F129-L163 HydrophobicContact CE1-CD2 4.18Å; I149-L163 HydrophobicContact CB-CD2 3.83Å; I149-L163 HydrophobicContact CD1-CD2 4.08Å; I149-L163 HydrophobicContact CG1-CD2 4.05Å; P151-L163 CarbonylContact C-O 3.52Å; P151-L163 VanDerWaalsContact CA-O 3.24Å; P151-L163 WeakPolarHBondContact CA-O 3.33Å; P151-L163 HydrophobicContact CB-CG 4.33Å; P151-L163 HydrophobicContact CG-CD2 4.33Å; P151-L163 HydrophobicContact CG-CG 4.24Å; I152-L163 PolarHBondContact N-O 3.42Å; Y161-L163 HydrophobicContact CD1-CB 4.44Å; Y161-L163 WeakPolarHBondContact CD1-O 3.35Å; Y161-L163 HydrophobicContact CE1-CB 4.14Å; L163-Q168 HydrophobicContact CD1-CB 4.22Å; L163-Q168 HydrophobicContact CD1-CG 3.89Å; L163-A169 HydrophobicContact CD1-CB 3.99Å; L163-A169 HydrophobicContact CD2-CB 4.36Å; L163-I172 HydrophobicContact CD1-CD1 4Å
164D97.3Very high97.6Very high33 Ų3344.5 Ų44.518%0.17623%0.228CC..  trans-126.6-1.2-167.3706.4000115.9R118 I152 T154 Q168 M193R118-D164 IonicContact CZ-OD2 2.59Å; R118-D164 IonicContact NH1-OD2 3.83Å; I152-D164 WeakPolarHBondContact O-CA 3.4Å; T154-D164 HydrophobicContact CG2-CB 3.65Å; D164-Q168 PolarHBondContact OD1-OE1 3.26Å; D164-M193 HydrophobicContact CB-CE 4.28Å; D164-M193 WeakPolarHBondContact O-CG 3.31Å
165S97Very high97.7Very high22 Ų2248.4 Ų48.415%0.15424%0.242CC..  trans-141.2151.9175.565.40000113.3P151 H167 Q168 A169P151-S165 WeakPolarHBondContact CG-O 3.38Å; S165-H167 PolarHBondContact O-N 3.37Å; S165-Q168 PolarHBondContact O-N 3.04Å; S165-Q168 WeakPolarHBondContact OG-CB 3.49Å; S165-Q168 PolarHBondContact OG-N 3.38Å; S165-A169 PolarHBondContact O-N 2.83Å; S165-A169 VanDerWaalsContact O-N 3.09Å
166P96.6Very high97.8Very high1 Ų141.7 Ų41.71%0.00622%0.218CC..Hα-helixtrans-61.3-28.7172.224.4-33.9000112.7A170 W190 D194 Y204P166-A170 WeakPolarHBondContact O-CB 3.41Å; P166-A170 PolarHBondContact O-N 3.08Å; P166-W190 HydrophobicContact CB-CD2 4.06Å; P166-W190 HydrophobicContact CB-CE3 4.31Å; P166-W190 HydrophobicContact CB-CH2 3.91Å; P166-W190 HydrophobicContact CB-CZ2 3.62Å; P166-W190 HydrophobicContact CB-CZ3 4.24Å; P166-W190 HydrophobicContact CG-CD2 4.07Å; P166-W190 HydrophobicContact CG-CE3 4.29Å; P166-D194 HydrophobicContact CG-CB 4.34Å; P166-D194 WeakPolarHBondContact CG-OD2 3.38Å; P166-Y204 HydrophobicContact CB-CD2 3.93Å; P166-Y204 HydrophobicContact CB-CE2 3.93Å; P166-Y204 HydrophobicContact CG-CE2 4.31Å
167H97Very high97.9Very high76 Ų7639.7 Ų39.735%0.35222%0.223SC..Hα-helixtrans-66.9-47.4177.9-54.1-23000111.9S165 A170 A171 D194 Y204S165-H167 PolarHBondContact O-N 3.37Å; H167-A170 PolarHBondContact O-N 3.34Å; H167-A171 PolarHBondContact O-N 3.18Å; H167-A171 VanDerWaalsContact O-N 3.1Å; H167-D194 IonicContact CD2-OD1 3.98Å; H167-D194 IonicContact CE1-OD2 3.42Å; H167-D194 PolarHBondContact CE1-OD2 3.3Å; H167-D194 VanDerWaalsContact CE1-OD2 3.25Å; H167-D194 IonicContact NE2-OD1 3.55Å; H167-D194 PolarHBondContact NE2-OD1 2.87Å; H167-D194 IonicContact NE2-OD2 3.17Å; H167-D194 PolarHBondContact NE2-OD2 2.88Å; H167-Y204 AromaticContact CE1-CE2 3.89Å; H167-Y204 AromaticContact ND1-CE2 3.47Å; H167-Y204 WeakPolarHBondContact ND1-CE2 3.32Å; H167-Y204 AromaticContact ND1-CZ 3.43Å; H167-Y204 PolarHBondContact ND1-OH 3.2Å
168Q98.3Very high98Very high38 Ų3840 Ų4018%0.17822%0.221CC..Hα-helixtrans-61.3-46.5174.6-175.1-170.814.900110.6F162 L163 D164 S165 A170 A171 I172F162-Q168 PolarHBondContact O-NE2 3.3Å; F162-Q168 VanDerWaalsContact O-NE2 3.11Å; F162-Q168 PolarHBondContact O-OE1 2.87Å; L163-Q168 HydrophobicContact CD1-CB 4.22Å; L163-Q168 HydrophobicContact CD1-CG 3.89Å; D164-Q168 PolarHBondContact OD1-OE1 3.26Å; S165-Q168 PolarHBondContact O-N 3.04Å; S165-Q168 WeakPolarHBondContact OG-CB 3.49Å; S165-Q168 PolarHBondContact OG-N 3.38Å; Q168-A170 PolarHBondContact O-N 2.93Å; Q168-A171 PolarHBondContact O-N 3.12Å; Q168-I172 HydrophobicContact CG-CD1 4.07Å; Q168-I172 WeakPolarHBondContact O-CG1 3.29Å; Q168-I172 PolarHBondContact O-N 3.01Å
169A98.6Very high98Very high0 Ų044.6 Ų44.60%025%0.251CS..Hα-helixtrans-55.5-4917600000112.2I149 P151 L163 S165 A171 I172 L173 L183I149-A169 HydrophobicContact CD1-CB 4.03Å; I149-A169 HydrophobicContact CG1-CB 4.39Å; P151-A169 HydrophobicContact CG-CB 3.72Å; L163-A169 HydrophobicContact CD1-CB 3.99Å; L163-A169 HydrophobicContact CD2-CB 4.36Å; S165-A169 PolarHBondContact O-N 2.83Å; S165-A169 VanDerWaalsContact O-N 3.09Å; A169-A171 VanDerWaalsContact C-N 3.33Å; A169-A171 PolarHBondContact O-N 3.38Å; A169-I172 PolarHBondContact O-N 3.44Å; A169-L173 VanDerWaalsContact O-CG 3.31Å; A169-L173 WeakPolarHBondContact O-CG 3.35Å; A169-L173 PolarHBondContact O-N 2.85Å; A169-L183 HydrophobicContact CB-CD1 3.55Å
170A98.6Very high98.1Very high15 Ų1541 Ų4112%0.12423%0.226CC..Hα-helixtrans-61.3-39.9179.400000112.7P166 H167 Q168 L173 Q174 Y204 L207P166-A170 WeakPolarHBondContact O-CB 3.41Å; P166-A170 PolarHBondContact O-N 3.08Å; H167-A170 PolarHBondContact O-N 3.34Å; Q168-A170 PolarHBondContact O-N 2.93Å; A170-L173 PolarHBondContact O-N 2.91Å; A170-Q174 PolarHBondContact O-N 3.34Å; A170-Y204 HydrophobicContact CB-CD1 3.9Å; A170-Y204 HydrophobicContact CB-CE1 3.42Å; A170-Y204 VanDerWaalsContact CB-CE1 3.42Å; A170-L207 HydrophobicContact CB-CD1 3.79Å
171A98.7Very high98.2Very high42 Ų4237.3 Ų37.335%0.34721%0.213SC..Hα-helixtrans-63.8-41.2175.700000111.9H167 Q168 A169 Q174 K175H167-A171 PolarHBondContact O-N 3.18Å; H167-A171 VanDerWaalsContact O-N 3.1Å; Q168-A171 PolarHBondContact O-N 3.12Å; A169-A171 VanDerWaalsContact C-N 3.33Å; A169-A171 PolarHBondContact O-N 3.38Å; A171-Q174 WeakPolarHBondContact O-CB 3.12Å; A171-Q174 PolarHBondContact O-N 3.43Å; A171-K175 WeakPolarHBondContact O-CG 3.44Å; A171-K175 PolarHBondContact O-N 2.8Å; A171-K175 VanDerWaalsContact O-N 3.12Å
172I98.9Very high98.2Very high0 Ų040.7 Ų40.70%023%0.228CC..Hα-helixtrans-66.3-45.7176.4-68176.4000110.8E126 F129 V130 L133 I149 F162 L163 Q168 A169 Q174 K175 V176E126-I172 HydrophobicContact CG-CD1 4.03Å; E126-I172 HydrophobicContact CG-CG1 3.91Å; F129-I172 HydrophobicContact CD1-CD1 3.93Å; F129-I172 HydrophobicContact CD1-CG2 4.08Å; F129-I172 HydrophobicContact CE1-CD1 4.42Å; F129-I172 HydrophobicContact CE1-CG2 4.41Å; V130-I172 HydrophobicContact CG2-CG2 4.1Å; L133-I172 HydrophobicContact CD1-CG2 3.6Å; I149-I172 HydrophobicContact CD1-CB 4.49Å; I149-I172 HydrophobicContact CD1-CG2 4.25Å; F162-I172 HydrophobicContact CE1-CD1 4.06Å; L163-I172 HydrophobicContact CD1-CD1 4Å; Q168-I172 HydrophobicContact CG-CD1 4.07Å; Q168-I172 WeakPolarHBondContact O-CG1 3.29Å; Q168-I172 PolarHBondContact O-N 3.01Å; A169-I172 PolarHBondContact O-N 3.44Å; I172-Q174 VanDerWaalsContact C-N 3.26Å; I172-Q174 PolarHBondContact O-N 2.86Å; I172-K175 WeakPolarHBondContact O-CB 3.21Å; I172-K175 PolarHBondContact O-N 3.01Å; I172-V176 HydrophobicContact CG2-CG2 4.32Å; I172-V176 WeakPolarHBondContact O-CG2 3.41Å; I172-V176 PolarHBondContact O-N 3.26Å
173L98.9Very high98.2Very high15 Ų1540.6 Ų40.68%0.07923%0.227CC..Hα-helixtrans-57.5-39.7175.6-69.4177.5000111.9I149 A169 A170 V176 G177 I181 L183 L207I149-L173 HydrophobicContact CD1-CD2 3.75Å; I149-L173 HydrophobicContact CD1-CG 3.82Å; I149-L173 HydrophobicContact CG1-CD2 4.07Å; I149-L173 HydrophobicContact CG1-CG 4.37Å; A169-L173 VanDerWaalsContact O-CG 3.31Å; A169-L173 WeakPolarHBondContact O-CG 3.35Å; A169-L173 PolarHBondContact O-N 2.85Å; A170-L173 PolarHBondContact O-N 2.91Å; L173-V176 PolarHBondContact O-N 3.08Å; L173-G177 PolarHBondContact O-N 3.04Å; L173-I181 HydrophobicContact CD2-CB 4.22Å; L173-I181 HydrophobicContact CD2-CG2 3.55Å; L173-L183 HydrophobicContact CD1-CB 3.92Å; L173-L207 HydrophobicContact CD1-CB 4.24Å; L173-L207 HydrophobicContact CD1-CD1 4.31Å
174Q98.7Very high98.2Very high164 Ų16440.6 Ų40.677%0.76623%0.227SC*.Hα-helixtrans-62.4-41.8174.6-174.6-179.21.100112.1A170 A171 I172 G177A170-Q174 PolarHBondContact O-N 3.34Å; A171-Q174 WeakPolarHBondContact O-CB 3.12Å; A171-Q174 PolarHBondContact O-N 3.43Å; I172-Q174 VanDerWaalsContact C-N 3.26Å; I172-Q174 PolarHBondContact O-N 2.86Å; Q174-G177 PolarHBondContact O-N 3.33Å
175K98.8Very high98.3Very high111 Ų11139 Ų3948%0.48322%0.219SC..Hα-helixtrans-69.2-33.9176.9-71.1179.6175.5-1720113.2E126 V130 K134 A171 I172E126-K175 VanDerWaalsContact OE1-CD 3.32Å; E126-K175 WeakPolarHBondContact OE1-CD 3.25Å; E126-K175 VanDerWaalsContact OE1-CE 3.27Å; E126-K175 WeakPolarHBondContact OE1-CE 3.41Å; E126-K175 IonicContact OE1-NZ 3.04Å; E126-K175 PolarHBondContact OE1-NZ 3.03Å; V130-K175 HydrophobicContact CG1-CB 4.16Å; V130-K175 HydrophobicContact CG2-CB 3.91Å; V130-K175 HydrophobicContact CG2-CD 4.26Å; K134-K175 WeakPolarHBondContact CE-O 3.49Å; K134-K175 PolarHBondContact NZ-O 3.44Å; A171-K175 WeakPolarHBondContact O-CG 3.44Å; A171-K175 PolarHBondContact O-N 2.8Å; A171-K175 VanDerWaalsContact O-N 3.12Å; I172-K175 WeakPolarHBondContact O-CB 3.21Å; I172-K175 PolarHBondContact O-N 3.01Å
176V98.7Very high98.4Very high9 Ų938 Ų386%0.05521%0.211CC..Hα-helixtrans-65.9-44.5173.3172.80000109.9V130 L133 K134 I172 L173 H178 I181V130-V176 HydrophobicContact CG1-CG2 4.35Å; L133-V176 HydrophobicContact CB-CG1 4.28Å; L133-V176 HydrophobicContact CB-CG2 3.54Å; L133-V176 HydrophobicContact CD1-CG2 3.77Å; L133-V176 HydrophobicContact CG-CG2 4.33Å; K134-V176 WeakPolarHBondContact CE-O 3.25Å; K134-V176 HydrophobicContact CG-CG1 4.24Å; I172-V176 HydrophobicContact CG2-CG2 4.32Å; I172-V176 WeakPolarHBondContact O-CG2 3.41Å; I172-V176 PolarHBondContact O-N 3.26Å; L173-V176 PolarHBondContact O-N 3.08Å; V176-H178 VanDerWaalsContact C-N 3.31Å; V176-H178 HydrophobicContact CG1-CB 4.06Å; V176-H178 PolarHBondContact O-N 3.41Å; V176-I181 HydrophobicContact CG1-CB 4.26Å; V176-I181 HydrophobicContact CG1-CG1 4.07Å
177G98Very high98.5Very high61 Ų6138.1 Ų38.163%0.62921%0.212SC*.  trans68.326.2171.200000114.2L173 Q174L173-G177 PolarHBondContact O-N 3.04Å; Q174-G177 PolarHBondContact O-N 3.33Å
178H97.9Very high98.6Very high60 Ų6034.6 Ų34.628%0.27820%0.196SC..  trans-125.7128.9-175.7-149.9-81.8000112A137 V176 N180 I181A137-H178 HydrophobicContact CB-CB 3.72Å; V176-H178 VanDerWaalsContact C-N 3.31Å; V176-H178 HydrophobicContact CG1-CB 4.06Å; V176-H178 PolarHBondContact O-N 3.41Å; H178-N180 VanDerWaalsContact C-N 3.32Å; H178-N180 PolarHBondContact CE1-OD1 3.23Å; H178-N180 PolarHBondContact ND1-OD1 3.1Å; H178-N180 PolarHBondContact O-N 3Å; H178-I181 PolarHBondContact O-N 3.08Å
179P97.3Very high98.6Very high106 Ų10633 Ų3369%0.68819%0.189SC*.THydrogen-bonded Turntrans-73.3-16.1-168.228.3-37.1000115.3K182P179-K182 WeakPolarHBondContact O-CE 3.32Å
180N98.4Very high98.6Very high19 Ų1933 Ų3310%0.10219%0.189CC..THydrogen-bonded Turntrans-89.7-0.6176.178.9-33.4000113.2A137 S141 I145 T146 G147 H178A137-N180 PolarHBondContact O-ND2 2.9Å; S141-N180 WeakPolarHBondContact CA-ND2 3.35Å; S141-N180 WeakPolarHBondContact CB-ND2 3.48Å; S141-N180 PolarHBondContact N-ND2 2.8Å; S141-N180 VanDerWaalsContact N-ND2 3.18Å; I145-N180 PolarHBondContact O-ND2 3.13Å; T146-N180 CarbonylContact C-O 3.57Å; T146-N180 VanDerWaalsContact CA-O 3.29Å; T146-N180 WeakPolarHBondContact CA-O 3.42Å; T146-N180 VanDerWaalsContact CG2-O 3.32Å; T146-N180 WeakPolarHBondContact CG2-O 3.11Å; G147-N180 PolarHBondContact N-O 3.36Å; H178-N180 VanDerWaalsContact C-N 3.32Å; H178-N180 PolarHBondContact CE1-OD1 3.23Å; H178-N180 PolarHBondContact ND1-OD1 3.1Å; H178-N180 PolarHBondContact O-N 3Å
181I98.8Very high98.6Very high8 Ų833.5 Ų33.54%0.04119%0.188CC..EExtended strand (participates in β ladder)trans-100.9121167.6-52.8-57.3000107.5L107 L133 A137 G147 I149 L173 V176 H178L107-I181 HydrophobicContact CD1-CD1 4.12Å; L133-I181 HydrophobicContact CD2-CG2 4.36Å; A137-I181 HydrophobicContact CB-CD1 3.89Å; A137-I181 HydrophobicContact CB-CG1 3.57Å; G147-I181 CarbonylContact O-C 3.58Å; G147-I181 VanDerWaalsContact O-CA 3.31Å; G147-I181 WeakPolarHBondContact O-CA 3.49Å; I149-I181 HydrophobicContact CG2-CG2 4.41Å; L173-I181 HydrophobicContact CD2-CB 4.22Å; L173-I181 HydrophobicContact CD2-CG2 3.55Å; V176-I181 HydrophobicContact CG1-CB 4.26Å; V176-I181 HydrophobicContact CG1-CG1 4.07Å; H178-I181 PolarHBondContact O-N 3.08Å
182K98.9Very high98.6Very high72 Ų7232.4 Ų32.431%0.31318%0.176SC..EExtended strand (participates in β ladder)trans-130.8168.5-171.3-68.7-164.3177.1-162.80112.1T146 G147 L148 I149 P179 L207T146-K182 HydrophobicContact CG2-CB 4.08Å; T146-K182 HydrophobicContact CG2-CD 4.08Å; T146-K182 HydrophobicContact CG2-CG 3.99Å; G147-K182 PolarHBondContact O-N 2.86Å; L148-K182 CarbonylContact C-O 3.58Å; L148-K182 VanDerWaalsContact CA-O 3.3Å; L148-K182 WeakPolarHBondContact CA-O 3.09Å; L148-K182 HydrophobicContact CD2-CB 3.83Å; I149-K182 PolarHBondContact N-O 3Å; P179-K182 WeakPolarHBondContact O-CE 3.32Å; K182-L207 WeakPolarHBondContact CB-O 3.25Å
183L98.8Very high98.5Very high0 Ų033.9 Ų33.90%018%0.184CC..EExtended strand (participates in β ladder)trans-86.1130.6177-175.549.8000110.5I149 P151 A169 L173 W190 L207 I208 G209I149-L183 WeakPolarHBondContact O-CD1 3.17Å; P151-L183 HydrophobicContact CG-CD1 3.97Å; A169-L183 HydrophobicContact CB-CD1 3.55Å; L173-L183 HydrophobicContact CD1-CB 3.92Å; L183-W190 HydrophobicContact CD1-CZ2 4.5Å; L183-W190 HydrophobicContact CD2-CH2 3.97Å; L183-W190 HydrophobicContact CD2-CZ2 3.61Å; L183-W190 HydrophobicContact CG-CZ2 4.03Å; L183-L207 HydrophobicContact CB-CB 4.22Å; L183-L207 PolarHBondContact N-O 3.1Å; L183-I208 CarbonylContact O-C 3.5Å; L183-I208 WeakPolarHBondContact O-CA 3.24Å; L183-G209 PolarHBondContact O-N 2.93Å
184Q98.9Very high98.2Very high0 Ų035 Ų350%019%0.19CC..EExtended strand (participates in β ladder)trans-91.5120.3162.3-177.9164-48.500108.6L61 L148 I149 E150 H210 Q212L61-Q184 VanDerWaalsContact CD2-OE1 3.23Å; L148-Q184 HydrophobicContact CB-CB 4.15Å; L148-Q184 HydrophobicContact CD1-CB 4.32Å; I149-Q184 PolarHBondContact O-N 2.87Å; E150-Q184 HydrophobicContact CB-CB 3.94Å; E150-Q184 HydrophobicContact CB-CG 4.23Å; E150-Q184 VanDerWaalsContact CD-NE2 3.31Å; E150-Q184 HydrophobicContact CG-CB 4.09Å; E150-Q184 HydrophobicContact CG-CG 3.97Å; E150-Q184 PolarHBondContact OE2-NE2 3.13Å; E150-Q184 VanDerWaalsContact OE2-NE2 3.08Å; Q184-H210 WeakPolarHBondContact CA-O 3.17Å; Q184-H210 HydrophobicContact CG-CB 4.34Å; Q184-Q212 VanDerWaalsContact NE2-CD 3.29Å
185M98.8Very high98Very high0 Ų030.9 Ų30.90%017%0.173CC..EExtended strand (participates in β ladder)trans-98.696.5178.4178.1179.78600109.5V187 W190 I201 I208 H210 I211 Q212 L237M185-V187 HydrophobicContact CE-CG2 4.03Å; M185-W190 HydrophobicContact CB-CH2 4.06Å; M185-W190 HydrophobicContact CB-CZ2 3.68Å; M185-W190 HydrophobicContact CG-CD2 3.8Å; M185-W190 HydrophobicContact CG-CE3 3.92Å; M185-W190 HydrophobicContact CG-CG 4.47Å; M185-W190 HydrophobicContact CG-CH2 3.68Å; M185-W190 HydrophobicContact CG-CZ2 3.54Å; M185-W190 HydrophobicContact CG-CZ3 3.87Å; M185-W190 HydrophobicContact SD-CD2 4.46Å; M185-W190 HydrophobicContact SD-CE3 3.97Å; M185-W190 HydrophobicContact SD-CH2 3.72Å; M185-W190 HydrophobicContact SD-CZ2 4.23Å; M185-W190 HydrophobicContact SD-CZ3 3.58Å; M185-W190 VanDerWaalsContact SD-CZ3 3.58Å; M185-I201 HydrophobicContact CE-CD1 4.34Å; M185-I201 HydrophobicContact CE-CG1 4.02Å; M185-I201 HydrophobicContact SD-CD1 4.48Å; M185-I201 HydrophobicContact SD-CG1 3.64Å; M185-I208 HydrophobicContact CB-CD1 3.97Å; M185-I208 HydrophobicContact CB-CG1 4.31Å; M185-I208 HydrophobicContact CB-CG2 4.49Å; M185-I208 HydrophobicContact CE-CD1 4.21Å; M185-I208 HydrophobicContact CG-CD1 4.37Å; M185-I208 HydrophobicContact SD-CD1 3.53Å; M185-I208 VanDerWaalsContact SD-CD1 3.53Å; M185-H210 PolarHBondContact N-O 3.29Å; M185-I211 HydrophobicContact CB-CG1 4.45Å; M185-I211 HydrophobicContact CE-CB 4.31Å; M185-I211 HydrophobicContact CE-CD1 3.7Å; M185-I211 HydrophobicContact CE-CG1 3.83Å; M185-I211 HydrophobicContact CE-CG2 3.59Å; M185-I211 CarbonylContact O-C 3.6Å; M185-I211 VanDerWaalsContact O-CA 3.26Å; M185-I211 WeakPolarHBondContact O-CA 3.28Å; M185-Q212 PolarHBondContact O-N 3.05Å; M185-L237 HydrophobicContact CE-CD2 4.39Å
186D98.8Very high97.8Very high0 Ų030.1 Ų30.10%017%0.174CC..EExtended strand (participates in β ladder)trans-85.5112.9160.8-174.2-10.9000109.3E150 F188 H189 W190 Q212 R219E150-D186 WeakPolarHBondContact OE1-CB 3.3Å; D186-F188 PolarHBondContact O-N 2.97Å; D186-F188 VanDerWaalsContact OD1-CB 3.24Å; D186-F188 WeakPolarHBondContact OD1-CB 3.38Å; D186-F188 PolarHBondContact OD1-N 2.99Å; D186-H189 HydrophobicContact CB-CB 4.34Å; D186-H189 PolarHBondContact O-N 3.39Å; D186-H189 IonicContact OD2-CD2 3.26Å; D186-H189 PolarHBondContact OD2-CD2 3.49Å; D186-H189 IonicContact OD2-CG 3.38Å; D186-H189 IonicContact OD2-NE2 2.77Å; D186-H189 PolarHBondContact OD2-NE2 2.74Å; D186-W190 VanDerWaalsContact O-CD1 3.23Å; D186-W190 PolarHBondContact O-N 3.08Å; D186-Q212 HydrophobicContact CB-CB 4.02Å; D186-R219 IonicContact OD2-NH2 2.8Å; D186-R219 PolarHBondContact OD2-NH2 3.26Å; D186-R219 VanDerWaalsContact OD2-NH2 3.17Å
187V98.8Very high97.8Very high4 Ų430.3 Ų30.32%0.02418%0.175CC..Hα-helixtrans-57.3-34.6178.5174.50000111.6M185 W190 Q191 L197 Q212 I213 L228 F230 L233M185-V187 HydrophobicContact CE-CG2 4.03Å; V187-W190 PolarHBondContact O-N 3.22Å; V187-Q191 VanDerWaalsContact O-CB 3.31Å; V187-Q191 WeakPolarHBondContact O-CB 3.5Å; V187-Q191 PolarHBondContact O-N 3.27Å; V187-L197 HydrophobicContact CG1-CD1 3.82Å; V187-L197 HydrophobicContact CG1-CD2 4.35Å; V187-Q212 PolarHBondContact N-O 3.06Å; V187-I213 HydrophobicContact CB-CG2 4.37Å; V187-I213 HydrophobicContact CG2-CG2 4.04Å; V187-L228 HydrophobicContact CG1-CD1 3.72Å; V187-F230 HydrophobicContact CG1-CE1 4.28Å; V187-F230 HydrophobicContact CG1-CZ 4.36Å; V187-L233 HydrophobicContact CG1-CD1 3.97Å
188F98.8Very high97.8Very high3 Ų329.2 Ų29.21%0.01316%0.156CC..Hα-helixtrans-62.8-47.9178.3173.4-100.3000111.2N153 I156 D186 I192 A214 V216 R219N153-F188 WeakPolarHBondContact ND2-CE1 3.44Å; I156-F188 HydrophobicContact CD1-CE1 4.42Å; I156-F188 HydrophobicContact CD1-CE2 4.35Å; I156-F188 HydrophobicContact CD1-CZ 3.65Å; I156-F188 HydrophobicContact CG1-CZ 4.32Å; D186-F188 PolarHBondContact O-N 2.97Å; D186-F188 VanDerWaalsContact OD1-CB 3.24Å; D186-F188 WeakPolarHBondContact OD1-CB 3.38Å; D186-F188 PolarHBondContact OD1-N 2.99Å; F188-I192 HydrophobicContact CD1-CD1 3.99Å; F188-I192 HydrophobicContact CD2-CD1 3.88Å; F188-I192 HydrophobicContact CE1-CD1 3.63Å; F188-I192 HydrophobicContact CE2-CD1 3.49Å; F188-I192 VanDerWaalsContact CE2-CD1 3.49Å; F188-I192 HydrophobicContact CG-CD1 4.1Å; F188-I192 HydrophobicContact CZ-CD1 3.37Å; F188-I192 WeakPolarHBondContact O-CD1 3.46Å; F188-I192 WeakPolarHBondContact O-CG1 3.31Å; F188-I192 PolarHBondContact O-N 3.49Å; F188-A214 HydrophobicContact CB-CB 4.05Å; F188-A214 HydrophobicContact CD2-CB 4.25Å; F188-A214 HydrophobicContact CG-CB 4.32Å; F188-V216 HydrophobicContact CD2-CG2 3.58Å; F188-V216 HydrophobicContact CE2-CG2 4.21Å; F188-V216 HydrophobicContact CG-CG2 4.36Å; F188-R219 HydrophobicContact CD1-CG 4.07Å; F188-R219 HydrophobicContact CD2-CB 4.06Å; F188-R219 HydrophobicContact CD2-CG 3.85Å; F188-R219 HydrophobicContact CE1-CB 4.33Å; F188-R219 HydrophobicContact CE1-CG 3.9Å; F188-R219 HydrophobicContact CE2-CB 3.48Å; F188-R219 VanDerWaalsContact CE2-CB 3.48Å; F188-R219 HydrophobicContact CE2-CG 3.69Å; F188-R219 HydrophobicContact CG-CG 4.04Å; F188-R219 HydrophobicContact CZ-CB 3.62Å; F188-R219 HydrophobicContact CZ-CG 3.69Å
189H98.8Very high97.9Very high4 Ų431.9 Ų31.92%0.01917%0.168CC..Hα-helixtrans-65.9-42.5178.3-66.9-43.8000112E150 P151 I152 N153 T157 D186 I192 M193 R219E150-H189 IonicContact OE1-CD2 3.25Å; E150-H189 PolarHBondContact OE1-CD2 3.14Å; E150-H189 IonicContact OE1-NE2 4Å; P151-H189 VanDerWaalsContact O-CB 3.25Å; P151-H189 WeakPolarHBondContact O-CB 3.32Å; I152-H189 WeakPolarHBondContact CD1-NE2 3.37Å; N153-H189 HydrophobicContact CB-CB 4.44Å; N153-H189 PolarHBondContact N-ND1 3.31Å; N153-H189 PolarHBondContact ND2-ND1 2.77Å; T157-H189 PolarHBondContact OG1-CE1 3.17Å; D186-H189 HydrophobicContact CB-CB 4.34Å; D186-H189 PolarHBondContact O-N 3.39Å; D186-H189 IonicContact OD2-CD2 3.26Å; D186-H189 PolarHBondContact OD2-CD2 3.49Å; D186-H189 IonicContact OD2-CG 3.38Å; D186-H189 IonicContact OD2-NE2 2.77Å; D186-H189 PolarHBondContact OD2-NE2 2.74Å; H189-I192 PolarHBondContact O-N 3.16Å; H189-M193 PolarHBondContact O-N 2.84Å; H189-R219 PolarHBondContact CE1-NH2 3.32Å; H189-R219 PolarHBondContact NE2-NH2 3.43Å
190W98.3Very high97.9Very high1 Ų127.2 Ų27.20%0.00414%0.138CC..Hα-helixtrans-66.5-43.9-179.7-74.933.7000112.3P166 L183 M185 D186 V187 I192 M193 D194 N195 L197 N200 Y204P166-W190 HydrophobicContact CB-CD2 4.06Å; P166-W190 HydrophobicContact CB-CE3 4.31Å; P166-W190 HydrophobicContact CB-CH2 3.91Å; P166-W190 HydrophobicContact CB-CZ2 3.62Å; P166-W190 HydrophobicContact CB-CZ3 4.24Å; P166-W190 HydrophobicContact CG-CD2 4.07Å; P166-W190 HydrophobicContact CG-CE3 4.29Å; L183-W190 HydrophobicContact CD1-CZ2 4.5Å; L183-W190 HydrophobicContact CD2-CH2 3.97Å; L183-W190 HydrophobicContact CD2-CZ2 3.61Å; L183-W190 HydrophobicContact CG-CZ2 4.03Å; M185-W190 HydrophobicContact CB-CH2 4.06Å; M185-W190 HydrophobicContact CB-CZ2 3.68Å; M185-W190 HydrophobicContact CG-CD2 3.8Å; M185-W190 HydrophobicContact CG-CE3 3.92Å; M185-W190 HydrophobicContact CG-CG 4.47Å; M185-W190 HydrophobicContact CG-CH2 3.68Å; M185-W190 HydrophobicContact CG-CZ2 3.54Å; M185-W190 HydrophobicContact CG-CZ3 3.87Å; M185-W190 HydrophobicContact SD-CD2 4.46Å; M185-W190 HydrophobicContact SD-CE3 3.97Å; M185-W190 HydrophobicContact SD-CH2 3.72Å; M185-W190 HydrophobicContact SD-CZ2 4.23Å; M185-W190 HydrophobicContact SD-CZ3 3.58Å; M185-W190 VanDerWaalsContact SD-CZ3 3.58Å; D186-W190 VanDerWaalsContact O-CD1 3.23Å; D186-W190 PolarHBondContact O-N 3.08Å; V187-W190 PolarHBondContact O-N 3.22Å; W190-I192 VanDerWaalsContact C-N 3.32Å; W190-I192 PolarHBondContact O-N 3.16Å; W190-M193 PolarHBondContact O-N 3.48Å; W190-D194 WeakPolarHBondContact O-CA 3.44Å; W190-D194 PolarHBondContact O-N 3.18Å; W190-N195 PolarHBondContact O-N 3.48Å; W190-N195 VanDerWaalsContact O-N 3.07Å; W190-L197 HydrophobicContact CB-CD2 3.82Å; W190-N200 HydrophobicContact CE3-CB 4.07Å; W190-N200 HydrophobicContact CZ3-CB 3.99Å; W190-Y204 HydrophobicContact CH2-CD2 4.16Å; W190-Y204 HydrophobicContact CH2-CG 4.37Å; W190-Y204 HydrophobicContact CZ3-CD2 4.25Å
191Q98.6Very high97.9Very high24 Ų2426.3 Ų26.311%0.11213%0.133CC..Hα-helixtrans-59.9-47.3176.8176.159.616.800110.5V187 M193 N195 L197 V216 E227 L228V187-Q191 VanDerWaalsContact O-CB 3.31Å; V187-Q191 WeakPolarHBondContact O-CB 3.5Å; V187-Q191 PolarHBondContact O-N 3.27Å; Q191-M193 VanDerWaalsContact C-N 3.34Å; Q191-M193 PolarHBondContact O-N 3.48Å; Q191-N195 PolarHBondContact NE2-OD1 3.46Å; Q191-N195 PolarHBondContact O-N 3.11Å; Q191-N195 PolarHBondContact O-OD1 3.33Å; Q191-N195 VanDerWaalsContact O-OD1 3.1Å; Q191-L197 HydrophobicContact CB-CD1 4.27Å; Q191-L197 HydrophobicContact CB-CD2 4.37Å; Q191-V216 HydrophobicContact CB-CG2 3.97Å; Q191-V216 HydrophobicContact CG-CB 4.2Å; Q191-V216 HydrophobicContact CG-CG1 4.1Å; Q191-V216 HydrophobicContact CG-CG2 3.91Å; Q191-E227 WeakPolarHBondContact CG-OE1 3.34Å; Q191-E227 PolarHBondContact NE2-OE1 3.15Å; Q191-L228 HydrophobicContact CB-CD1 4.2Å; Q191-L228 HydrophobicContact CB-CD2 4.21Å; Q191-L228 HydrophobicContact CG-CD1 4.26Å; Q191-L228 HydrophobicContact CG-CD2 3.69Å; Q191-L228 HydrophobicContact CG-CG 4.19Å
192I98.2Very high97.8Very high19 Ų1930.4 Ų30.410%0.09715%0.152CC..Hα-helixtrans-65.1-36.4-177.7-71.4163.9000112N153 R155 I156 F188 H189 W190 V216N153-I192 HydrophobicContact CB-CB 4.04Å; N153-I192 HydrophobicContact CB-CG2 3.69Å; N153-I192 WeakPolarHBondContact ND2-CD1 3.32Å; R155-I192 HydrophobicContact CB-CG2 3.83Å; R155-I192 WeakPolarHBondContact CD-O 3.45Å; R155-I192 HydrophobicContact CG-CG2 4.27Å; R155-I192 PolarHBondContact NH1-O 3.39Å; I156-I192 HydrophobicContact CD1-CD1 3.49Å; I156-I192 VanDerWaalsContact CD1-CD1 3.49Å; I156-I192 HydrophobicContact CG1-CD1 3.89Å; F188-I192 HydrophobicContact CD1-CD1 3.99Å; F188-I192 HydrophobicContact CD2-CD1 3.88Å; F188-I192 HydrophobicContact CE1-CD1 3.63Å; F188-I192 HydrophobicContact CE2-CD1 3.49Å; F188-I192 VanDerWaalsContact CE2-CD1 3.49Å; F188-I192 HydrophobicContact CG-CD1 4.1Å; F188-I192 HydrophobicContact CZ-CD1 3.37Å; F188-I192 WeakPolarHBondContact O-CD1 3.46Å; F188-I192 WeakPolarHBondContact O-CG1 3.31Å; F188-I192 PolarHBondContact O-N 3.49Å; H189-I192 PolarHBondContact O-N 3.16Å; W190-I192 VanDerWaalsContact C-N 3.32Å; W190-I192 PolarHBondContact O-N 3.16Å; I192-V216 HydrophobicContact CD1-CG1 4.49Å; I192-V216 HydrophobicContact CD1-CG2 4.47Å; I192-V216 HydrophobicContact CG1-CG1 3.95Å; I192-V216 HydrophobicContact CG1-CG2 4.31Å
193M97.2Very high97.8Very high31 Ų3133 Ų3315%0.15316%0.163CC..Hα-helixtrans-91.9-45.8-175.9-70.7-58.4-66.100113.6N153 T154 R155 D164 H189 W190 Q191N153-M193 HydrophobicContact CB-CG 3.44Å; N153-M193 VanDerWaalsContact CB-CG 3.44Å; N153-M193 HydrophobicContact CB-SD 3.86Å; T154-M193 WeakPolarHBondContact OG1-CE 3.27Å; R155-M193 HydrophobicContact CG-SD 3.85Å; R155-M193 PolarHBondContact NH2-O 2.92Å; D164-M193 HydrophobicContact CB-CE 4.28Å; D164-M193 WeakPolarHBondContact O-CG 3.31Å; H189-M193 PolarHBondContact O-N 2.84Å; W190-M193 PolarHBondContact O-N 3.48Å; Q191-M193 VanDerWaalsContact C-N 3.34Å; Q191-M193 PolarHBondContact O-N 3.48Å
194D92.3Very high97.8Very high40 Ų4033.7 Ų33.721%0.21417%0.166CC..Hα-helixtrans-120.2-17.2-160.2-153.445.6000113.4P166 H167 W190 N200P166-D194 HydrophobicContact CG-CB 4.34Å; P166-D194 WeakPolarHBondContact CG-OD2 3.38Å; H167-D194 IonicContact CD2-OD1 3.98Å; H167-D194 IonicContact CE1-OD2 3.42Å; H167-D194 PolarHBondContact CE1-OD2 3.3Å; H167-D194 VanDerWaalsContact CE1-OD2 3.25Å; H167-D194 IonicContact NE2-OD1 3.55Å; H167-D194 PolarHBondContact NE2-OD1 2.87Å; H167-D194 IonicContact NE2-OD2 3.17Å; H167-D194 PolarHBondContact NE2-OD2 2.88Å; W190-D194 WeakPolarHBondContact O-CA 3.44Å; W190-D194 PolarHBondContact O-N 3.18Å; D194-N200 PolarHBondContact OD2-ND2 2.59Å
195N94.3Very high97.8Very high76 Ų7636 Ų3641%0.40618%0.176SC..  trans50.3-145.9-172.9-52.9-72.8000111.2W190 Q191 L197 N200W190-N195 PolarHBondContact O-N 3.48Å; W190-N195 VanDerWaalsContact O-N 3.07Å; Q191-N195 PolarHBondContact NE2-OD1 3.46Å; Q191-N195 PolarHBondContact O-N 3.11Å; Q191-N195 PolarHBondContact O-OD1 3.33Å; Q191-N195 VanDerWaalsContact O-OD1 3.1Å; N195-L197 PolarHBondContact O-N 3.45Å; N195-N200 PolarHBondContact O-ND2 2.89Å; N195-N200 VanDerWaalsContact O-ND2 3.17Å
196N96.4Very high97.7Very high96 Ų9641 Ų4151%0.51321%0.209SC..  trans48.937.8167.6-164.827.9000114.4T198 Q199 N200N196-T198 PolarHBondContact O-N 3.17Å; N196-Q199 PolarHBondContact O-N 2.79Å; N196-Q199 WeakPolarHBondContact OD1-CG 3.35Å; N196-N200 PolarHBondContact O-N 2.8Å
197L98.1Very high97.7Very high13 Ų1344 Ų447%0.06822%0.224CC..Hα-helixtrans-54.4-48.2-166.5-70176.3000113V187 W190 Q191 N195 Q199 N200 I201 L228 L233V187-L197 HydrophobicContact CG1-CD1 3.82Å; V187-L197 HydrophobicContact CG1-CD2 4.35Å; W190-L197 HydrophobicContact CB-CD2 3.82Å; Q191-L197 HydrophobicContact CB-CD1 4.27Å; Q191-L197 HydrophobicContact CB-CD2 4.37Å; N195-L197 PolarHBondContact O-N 3.45Å; L197-Q199 VanDerWaalsContact C-N 3.34Å; L197-Q199 PolarHBondContact O-N 3.02Å; L197-N200 PolarHBondContact O-N 3.38Å; L197-I201 HydrophobicContact CB-CD1 4.26Å; L197-I201 VanDerWaalsContact O-CB 3.29Å; L197-I201 WeakPolarHBondContact O-CB 3.38Å; L197-I201 WeakPolarHBondContact O-CD1 3.42Å; L197-I201 WeakPolarHBondContact O-CG1 3.38Å; L197-I201 PolarHBondContact O-N 3.2Å; L197-L228 HydrophobicContact CD1-CD1 4.4Å; L197-L228 HydrophobicContact CD1-CD2 3.51Å; L197-L233 HydrophobicContact CB-CD2 4.31Å; L197-L233 HydrophobicContact CD1-CD1 4.04Å; L197-L233 HydrophobicContact CD1-CD2 4.33Å
198T98.4Very high97.7Very high37 Ų3744.5 Ų44.523%0.22723%0.227CC..Hα-helixtrans-54.7-49.1-178.9-55.30000112.2N196 H202 Y232 L236N196-T198 PolarHBondContact O-N 3.17Å; T198-H202 PolarHBondContact O-CD2 3.42Å; T198-H202 PolarHBondContact O-N 2.84Å; T198-Y232 VanDerWaalsContact CG2-OH 3.26Å; T198-Y232 WeakPolarHBondContact CG2-OH 3.32Å; T198-Y232 WeakPolarHBondContact OG1-CE1 3.36Å; T198-Y232 PolarHBondContact OG1-OH 3.36Å; T198-L236 HydrophobicContact CG2-CD2 4.08Å
199Q98.3Very high97.7Very high116 Ų11644.9 Ų44.954%0.54223%0.231SC..Hα-helixtrans-71-39.6-177.3-61.6-64-0.400111.6N196 L197 H202 K203N196-Q199 PolarHBondContact O-N 2.79Å; N196-Q199 WeakPolarHBondContact OD1-CG 3.35Å; L197-Q199 VanDerWaalsContact C-N 3.34Å; L197-Q199 PolarHBondContact O-N 3.02Å; Q199-H202 PolarHBondContact O-N 2.9Å; Q199-K203 VanDerWaalsContact O-CB 3.29Å; Q199-K203 WeakPolarHBondContact O-CB 3.39Å; Q199-K203 PolarHBondContact O-N 3.06Å
200N97.7Very high97.7Very high8 Ų844.7 Ų44.74%0.04323%0.23CC..Hα-helixtrans-65.9-41.3176.9-77.6-28.7000112W190 D194 N195 N196 L197 K203 Y204W190-N200 HydrophobicContact CE3-CB 4.07Å; W190-N200 HydrophobicContact CZ3-CB 3.99Å; D194-N200 PolarHBondContact OD2-ND2 2.59Å; N195-N200 PolarHBondContact O-ND2 2.89Å; N195-N200 VanDerWaalsContact O-ND2 3.17Å; N196-N200 PolarHBondContact O-N 2.8Å; L197-N200 PolarHBondContact O-N 3.38Å; N200-K203 PolarHBondContact O-N 3.14Å; N200-Y204 HydrophobicContact CB-CD2 4.37Å; N200-Y204 WeakPolarHBondContact O-CB 3.31Å; N200-Y204 VanDerWaalsContact O-CD2 3.25Å; N200-Y204 WeakPolarHBondContact O-CD2 3.46Å; N200-Y204 PolarHBondContact O-N 3Å
201I98.3Very high97.7Very high1 Ų144.7 Ų44.71%0.00523%0.23CC..Hα-helixtrans-58.4-53173.4-69.8164.2000109.1M185 L197 K203 Y204 F205 L233 L236 L237 M240M185-I201 HydrophobicContact CE-CD1 4.34Å; M185-I201 HydrophobicContact CE-CG1 4.02Å; M185-I201 HydrophobicContact SD-CD1 4.48Å; M185-I201 HydrophobicContact SD-CG1 3.64Å; L197-I201 HydrophobicContact CB-CD1 4.26Å; L197-I201 VanDerWaalsContact O-CB 3.29Å; L197-I201 WeakPolarHBondContact O-CB 3.38Å; L197-I201 WeakPolarHBondContact O-CD1 3.42Å; L197-I201 WeakPolarHBondContact O-CG1 3.38Å; L197-I201 PolarHBondContact O-N 3.2Å; I201-K203 VanDerWaalsContact C-N 3.33Å; I201-K203 PolarHBondContact O-N 3.2Å; I201-Y204 PolarHBondContact O-N 2.95Å; I201-F205 WeakPolarHBondContact O-CA 3.37Å; I201-F205 VanDerWaalsContact O-CB 3.25Å; I201-F205 WeakPolarHBondContact O-CB 3.27Å; I201-F205 PolarHBondContact O-N 2.99Å; I201-L233 HydrophobicContact CD1-CD2 4.15Å; I201-L236 HydrophobicContact CB-CD2 4.37Å; I201-L236 HydrophobicContact CD1-CD2 4.03Å; I201-L236 HydrophobicContact CG2-CD2 4.19Å; I201-L237 HydrophobicContact CG2-CD2 4.17Å; I201-M240 HydrophobicContact CG2-CE 4.04Å; I201-M240 HydrophobicContact CG2-SD 3.66Å
202H98.3Very high97.7Very high93 Ų9343.7 Ų43.743%0.43123%0.226SC..Hα-helixtrans-55.8-45.5177-79.6-59.1000113.3T198 Q199T198-H202 PolarHBondContact O-CD2 3.42Å; T198-H202 PolarHBondContact O-N 2.84Å; Q199-H202 PolarHBondContact O-N 2.9Å
203K98.2Very high97.8Very high128 Ų12842.9 Ų42.956%0.55722%0.221SC*.Hα-helixtrans-64.6-43.1-177.9-178178.4179.1-170.90112.4Q199 N200 I201Q199-K203 VanDerWaalsContact O-CB 3.29Å; Q199-K203 WeakPolarHBondContact O-CB 3.39Å; Q199-K203 PolarHBondContact O-N 3.06Å; N200-K203 PolarHBondContact O-N 3.14Å; I201-K203 VanDerWaalsContact C-N 3.33Å; I201-K203 PolarHBondContact O-N 3.2Å
204Y98.4Very high97.8Very high14 Ų1441.4 Ų41.46%0.05521%0.214CC..Hα-helixtrans-101.2-7.4-170.2-65.5-58.5000114.5P166 H167 A170 W190 N200 I201 P206 L207 I208P166-Y204 HydrophobicContact CB-CD2 3.93Å; P166-Y204 HydrophobicContact CB-CE2 3.93Å; P166-Y204 HydrophobicContact CG-CE2 4.31Å; H167-Y204 AromaticContact CE1-CE2 3.89Å; H167-Y204 AromaticContact ND1-CE2 3.47Å; H167-Y204 WeakPolarHBondContact ND1-CE2 3.32Å; H167-Y204 AromaticContact ND1-CZ 3.43Å; H167-Y204 PolarHBondContact ND1-OH 3.2Å; A170-Y204 HydrophobicContact CB-CD1 3.9Å; A170-Y204 HydrophobicContact CB-CE1 3.42Å; A170-Y204 VanDerWaalsContact CB-CE1 3.42Å; W190-Y204 HydrophobicContact CH2-CD2 4.16Å; W190-Y204 HydrophobicContact CH2-CG 4.37Å; W190-Y204 HydrophobicContact CZ3-CD2 4.25Å; N200-Y204 HydrophobicContact CB-CD2 4.37Å; N200-Y204 WeakPolarHBondContact O-CB 3.31Å; N200-Y204 VanDerWaalsContact O-CD2 3.25Å; N200-Y204 WeakPolarHBondContact O-CD2 3.46Å; N200-Y204 PolarHBondContact O-N 3Å; I201-Y204 PolarHBondContact O-N 2.95Å; Y204-P206 VanDerWaalsContact C-N 3.3Å; Y204-P206 VanDerWaalsContact O-N 3.12Å; Y204-L207 HydrophobicContact CD1-CD1 4.05Å; Y204-L207 WeakPolarHBondContact O-CA 3.43Å; Y204-L207 WeakPolarHBondContact O-CB 3.24Å; Y204-L207 PolarHBondContact O-N 3.39Å; Y204-I208 PolarHBondContact O-N 3.41Å
205F98.4Very high98.1Very high49 Ų4939.7 Ų39.722%0.21521%0.205CC..G310 helixtrans-46.3-42.4-179.9-165.6-104.2000115.2I201 L207 I208 L237 M240 Y242I201-F205 WeakPolarHBondContact O-CA 3.37Å; I201-F205 VanDerWaalsContact O-CB 3.25Å; I201-F205 WeakPolarHBondContact O-CB 3.27Å; I201-F205 PolarHBondContact O-N 2.99Å; F205-L207 PolarHBondContact O-N 3.22Å; F205-L207 VanDerWaalsContact O-N 3.13Å; F205-I208 HydrophobicContact CD2-CD1 4.4Å; F205-I208 PolarHBondContact O-N 3.39Å; F205-I208 VanDerWaalsContact O-N 3.09Å; F205-L237 HydrophobicContact CE2-CD2 4.3Å; F205-M240 HydrophobicContact CB-CE 3.42Å; F205-M240 VanDerWaalsContact CB-CE 3.42Å; F205-M240 HydrophobicContact CD1-CE 3.96Å; F205-M240 HydrophobicContact CD2-CB 4.39Å; F205-M240 HydrophobicContact CD2-CE 3.52Å; F205-M240 HydrophobicContact CD2-SD 4.32Å; F205-M240 HydrophobicContact CE1-CB 4.16Å; F205-M240 WeakPolarHBondContact CE1-O 3.43Å; F205-M240 HydrophobicContact CE2-CB 3.89Å; F205-M240 HydrophobicContact CE2-CE 4.18Å; F205-M240 HydrophobicContact CG-CE 3.38Å; F205-M240 HydrophobicContact CZ-CB 3.76Å; F205-M240 WeakPolarHBondContact CZ-O 3.44Å; F205-Y242 HydrophobicContact CE2-CD2 4.15Å; F205-Y242 HydrophobicContact CE2-CG 4.5Å; F205-Y242 HydrophobicContact CZ-CD2 4.35Å
206P97.9Very high98.3Very high105 Ų10536.2 Ų36.268%0.68219%0.186SC*.G310 helixtrans-61.9-22.6178.2-23.736000114.3Y204Y204-P206 VanDerWaalsContact C-N 3.3Å; Y204-P206 VanDerWaalsContact O-N 3.12Å
207L98.4Very high98.3Very high63 Ų6335.8 Ų35.833%0.3319%0.189SC..G310 helixtrans-90.7-15.2179.3-53.4-177.3000112.8A170 L173 K182 L183 Y204 F205 G209A170-L207 HydrophobicContact CB-CD1 3.79Å; L173-L207 HydrophobicContact CD1-CB 4.24Å; L173-L207 HydrophobicContact CD1-CD1 4.31Å; K182-L207 WeakPolarHBondContact CB-O 3.25Å; L183-L207 HydrophobicContact CB-CB 4.22Å; L183-L207 PolarHBondContact N-O 3.1Å; Y204-L207 HydrophobicContact CD1-CD1 4.05Å; Y204-L207 WeakPolarHBondContact O-CA 3.43Å; Y204-L207 WeakPolarHBondContact O-CB 3.24Å; Y204-L207 PolarHBondContact O-N 3.39Å; F205-L207 PolarHBondContact O-N 3.22Å; F205-L207 VanDerWaalsContact O-N 3.13Å; L207-G209 PolarHBondContact O-N 3.09Å
208I98.6Very high98.3Very high14 Ų1437.1 Ų37.17%0.07221%0.206CC..EExtended strand (participates in β ladder)trans-71.4127.1-172.3-65.3178.3000110.4L183 M185 Y204 F205 H210 I211 Y242L183-I208 CarbonylContact O-C 3.5Å; L183-I208 WeakPolarHBondContact O-CA 3.24Å; M185-I208 HydrophobicContact CB-CD1 3.97Å; M185-I208 HydrophobicContact CB-CG1 4.31Å; M185-I208 HydrophobicContact CB-CG2 4.49Å; M185-I208 HydrophobicContact CE-CD1 4.21Å; M185-I208 HydrophobicContact CG-CD1 4.37Å; M185-I208 HydrophobicContact SD-CD1 3.53Å; M185-I208 VanDerWaalsContact SD-CD1 3.53Å; Y204-I208 PolarHBondContact O-N 3.41Å; F205-I208 HydrophobicContact CD2-CD1 4.4Å; F205-I208 PolarHBondContact O-N 3.39Å; F205-I208 VanDerWaalsContact O-N 3.09Å; I208-H210 WeakPolarHBondContact CG2-O 3.16Å; I208-I211 HydrophobicContact CG2-CD1 4.23Å; I208-I211 HydrophobicContact CG2-CG1 3.66Å; I208-Y242 HydrophobicContact CG2-CE2 4.26Å
209G98.4Very high98.3Very high11 Ų1136.5 Ų36.511%0.11320%0.2CC..EExtended strand (participates in β ladder)trans-107.7-21.4173.700000114R104 L183 L207R104-G209 PolarHBondContact NE-O 3.45Å; L183-G209 PolarHBondContact O-N 2.93Å; L207-G209 PolarHBondContact O-N 3.09Å
210H98.9Very high98.3Very high0 Ų032.2 Ų32.20%018%0.18CC..EExtended strand (participates in β ladder)trans-158.8155.4177.8-166.360.3000110.9E36 L61 L148 Q184 M185 I208 Y245E36-H210 IonicContact OE2-CD2 3.02Å; E36-H210 IonicContact OE2-CE1 2.75Å; E36-H210 PolarHBondContact OE2-CE1 3.27Å; E36-H210 IonicContact OE2-NE2 3.26Å; E36-H210 PolarHBondContact OE2-NE2 3.47Å; L61-H210 VanDerWaalsContact CD2-CD2 3.44Å; L61-H210 WeakPolarHBondContact CD2-CD2 3.17Å; L148-H210 HydrophobicContact CD1-CB 3.52Å; Q184-H210 WeakPolarHBondContact CA-O 3.17Å; Q184-H210 HydrophobicContact CG-CB 4.34Å; M185-H210 PolarHBondContact N-O 3.29Å; I208-H210 WeakPolarHBondContact CG2-O 3.16Å; H210-Y245 PolarHBondContact CE1-O 2.9Å; H210-Y245 PolarHBondContact ND1-O 3.35Å
211I98.9Very high98.3Very high0 Ų032.2 Ų32.20%018%0.18CC..EExtended strand (participates in β ladder)trans-128.8140.2179.3-58.8178.5000108.5M185 I208 I213 L237 Y242 I246 G247M185-I211 HydrophobicContact CB-CG1 4.45Å; M185-I211 HydrophobicContact CE-CB 4.31Å; M185-I211 HydrophobicContact CE-CD1 3.7Å; M185-I211 HydrophobicContact CE-CG1 3.83Å; M185-I211 HydrophobicContact CE-CG2 3.59Å; M185-I211 CarbonylContact O-C 3.6Å; M185-I211 VanDerWaalsContact O-CA 3.26Å; M185-I211 WeakPolarHBondContact O-CA 3.28Å; I208-I211 HydrophobicContact CG2-CD1 4.23Å; I208-I211 HydrophobicContact CG2-CG1 3.66Å; I211-I213 HydrophobicContact CG2-CG2 4.43Å; I211-L237 HydrophobicContact CD1-CD1 3.92Å; I211-L237 HydrophobicContact CD1-CD2 3.63Å; I211-L237 HydrophobicContact CD1-CG 4.42Å; I211-Y242 HydrophobicContact CB-CE1 4.41Å; I211-Y242 HydrophobicContact CD1-CD1 3.91Å; I211-Y242 HydrophobicContact CD1-CD2 3.71Å; I211-Y242 HydrophobicContact CD1-CE1 3.77Å; I211-Y242 HydrophobicContact CD1-CE2 3.58Å; I211-Y242 HydrophobicContact CD1-CG 3.88Å; I211-Y242 HydrophobicContact CG1-CD2 4.46Å; I211-Y242 HydrophobicContact CG1-CE1 4.14Å; I211-Y242 HydrophobicContact CG1-CE2 3.83Å; I211-Y242 PolarHBondContact N-OH 3.41Å; I211-I246 HydrophobicContact CB-CG1 4.34Å; I211-I246 HydrophobicContact CG2-CG1 4.47Å; I211-I246 HydrophobicContact CG2-CG2 4.2Å; I211-I246 CarbonylContact O-C 3.5Å; I211-I246 VanDerWaalsContact O-CA 3.31Å; I211-I246 WeakPolarHBondContact O-CA 3.2Å; I211-G247 PolarHBondContact O-N 3.25Å
212Q98.9Very high98.3Very high3 Ų332.5 Ų32.51%0.01418%0.182CC..EExtended strand (participates in β ladder)trans-127.3157.6169.5-71.9167.4-48.100110.6E36 E150 Q184 M185 D186 V187 G247 E249E36-Q212 PolarHBondContact OE1-NE2 2.79Å; E150-Q212 PolarHBondContact OE1-OE1 3.49Å; Q184-Q212 VanDerWaalsContact NE2-CD 3.29Å; M185-Q212 PolarHBondContact O-N 3.05Å; D186-Q212 HydrophobicContact CB-CB 4.02Å; V187-Q212 PolarHBondContact N-O 3.06Å; Q212-G247 CarbonylContact C-O 3.57Å; Q212-G247 VanDerWaalsContact CA-O 3.31Å; Q212-G247 WeakPolarHBondContact CA-O 3.3Å; Q212-E249 HydrophobicContact CB-CB 4.36Å; Q212-E249 HydrophobicContact CG-CB 4.42Å; Q212-E249 PolarHBondContact NE2-OE2 3.18Å; Q212-E249 PolarHBondContact OE1-OE2 2.8Å
213I98.9Very high98.3Very high2 Ų232.9 Ų32.91%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-139.8142.3-176.561.7173.6000112.2F6 V187 I211 P222 F230 F234 I246 G247 E249 W262F6-I213 HydrophobicContact CD1-CD1 4.36Å; F6-I213 HydrophobicContact CE1-CD1 3.85Å; V187-I213 HydrophobicContact CB-CG2 4.37Å; V187-I213 HydrophobicContact CG2-CG2 4.04Å; I211-I213 HydrophobicContact CG2-CG2 4.43Å; I213-P222 HydrophobicContact CD1-CB 4.45Å; I213-P222 HydrophobicContact CD1-CG 3.61Å; I213-P222 HydrophobicContact CG1-CG 4.13Å; I213-F230 HydrophobicContact CB-CD1 4.44Å; I213-F230 HydrophobicContact CB-CE1 3.58Å; I213-F230 HydrophobicContact CB-CZ 4.06Å; I213-F230 HydrophobicContact CD1-CD1 4.49Å; I213-F230 HydrophobicContact CD1-CE1 4.4Å; I213-F230 HydrophobicContact CG2-CD1 4.33Å; I213-F230 HydrophobicContact CG2-CE1 3.62Å; I213-F230 HydrophobicContact CG2-CZ 4.5Å; I213-F234 HydrophobicContact CD1-CE1 3.75Å; I213-F234 HydrophobicContact CD1-CZ 3.61Å; I213-I246 HydrophobicContact CB-CG2 4.39Å; I213-I246 HydrophobicContact CD1-CG2 3.89Å; I213-I246 HydrophobicContact CG1-CG2 3.88Å; I213-I246 HydrophobicContact CG2-CG2 3.71Å; I213-G247 PolarHBondContact N-O 2.91Å; I213-E249 PolarHBondContact O-N 3.27Å; I213-W262 HydrophobicContact CD1-CH2 3.68Å; I213-W262 HydrophobicContact CD1-CZ2 4.5Å; I213-W262 HydrophobicContact CD1-CZ3 4.01Å
214A98.8Very high98.2Very high0 Ų027.6 Ų27.60%017%0.166CC..  trans-155.9153161.800000109.5F188 R219 F230 E249F188-A214 HydrophobicContact CB-CB 4.05Å; F188-A214 HydrophobicContact CD2-CB 4.25Å; F188-A214 HydrophobicContact CG-CB 4.32Å; A214-R219 HydrophobicContact CB-CB 4.41Å; A214-R219 HydrophobicContact CB-CG 3.59Å; A214-F230 WeakPolarHBondContact O-CZ 3.47Å; A214-E249 WeakPolarHBondContact CB-O 3.39Å
215Q98.6Very high98.2Very high4 Ų431.8 Ų31.82%0.01920%0.204CC..  trans-70.5146.3177-173.557-94.700112R219 N220 E221 P222 S224 L228 F230Q215-R219 WeakPolarHBondContact O-CA 3.46Å; Q215-R219 PolarHBondContact O-N 3.02Å; Q215-N220 PolarHBondContact N-O 3.24Å; Q215-E221 WeakPolarHBondContact CB-O 3.43Å; Q215-P222 PolarHBondContact NE2-O 2.92Å; Q215-S224 WeakPolarHBondContact CG-OG 3.18Å; Q215-L228 PolarHBondContact NE2-O 2.71Å; Q215-L228 VanDerWaalsContact OE1-CB 3.29Å; Q215-F230 HydrophobicContact CB-CE2 4.34Å
216V98.4Very high98.1Very high3 Ų331.6 Ų31.62%0.01822%0.216CC..THydrogen-bonded Turntrans-107.3137.5178.9176.60000109F188 Q191 I192 G226 E227 L228F188-V216 HydrophobicContact CD2-CG2 3.58Å; F188-V216 HydrophobicContact CE2-CG2 4.21Å; F188-V216 HydrophobicContact CG-CG2 4.36Å; Q191-V216 HydrophobicContact CB-CG2 3.97Å; Q191-V216 HydrophobicContact CG-CB 4.2Å; Q191-V216 HydrophobicContact CG-CG1 4.1Å; Q191-V216 HydrophobicContact CG-CG2 3.91Å; I192-V216 HydrophobicContact CD1-CG1 4.49Å; I192-V216 HydrophobicContact CD1-CG2 4.47Å; I192-V216 HydrophobicContact CG1-CG1 3.95Å; I192-V216 HydrophobicContact CG1-CG2 4.31Å; V216-G226 CarbonylContact O-C 3.58Å; V216-G226 WeakPolarHBondContact O-CA 3.47Å; V216-E227 HydrophobicContact CB-CG 3.84Å; V216-E227 VanDerWaalsContact CG1-CD 3.43Å; V216-E227 HydrophobicContact CG1-CG 3.85Å; V216-E227 PolarHBondContact O-N 3.41Å; V216-L228 HydrophobicContact CB-CD1 4.29Å; V216-L228 HydrophobicContact CB-CG 4.37Å; V216-L228 HydrophobicContact CG2-CD1 3.81Å; V216-L228 HydrophobicContact CG2-CG 4.4Å
217P96.5Very high98.1Very high88 Ų8831.9 Ų31.957%0.57121%0.208SC*.THydrogen-bonded Turncis-91.7-7.3435.5-36.2000115.1R219P217-R219 VanDerWaalsContact C-N 3.29Å; P217-R219 PolarHBondContact O-N 2.77Å
218G96.6Very high98.1Very high41 Ų4129.8 Ų29.842%0.42320%0.197SC..THydrogen-bonded Turntrans-72.3-14.5-167.900000116.2N220G218-N220 WeakPolarHBondContact CA-OD1 3.48Å; G218-N220 PolarHBondContact O-N 3.33Å; G218-N220 PolarHBondContact O-OD1 3.19Å
219R98.2Very high98.1Very high24 Ų2433.8 Ų33.89%0.09122%0.219CC..  trans53.939.2-168.5-150.8178.8-170.6160.310.9112D186 F188 H189 A214 Q215 P217 Y250 K251D186-R219 IonicContact OD2-NH2 2.8Å; D186-R219 PolarHBondContact OD2-NH2 3.26Å; D186-R219 VanDerWaalsContact OD2-NH2 3.17Å; F188-R219 HydrophobicContact CD1-CG 4.07Å; F188-R219 HydrophobicContact CD2-CB 4.06Å; F188-R219 HydrophobicContact CD2-CG 3.85Å; F188-R219 HydrophobicContact CE1-CB 4.33Å; F188-R219 HydrophobicContact CE1-CG 3.9Å; F188-R219 HydrophobicContact CE2-CB 3.48Å; F188-R219 VanDerWaalsContact CE2-CB 3.48Å; F188-R219 HydrophobicContact CE2-CG 3.69Å; F188-R219 HydrophobicContact CG-CG 4.04Å; F188-R219 HydrophobicContact CZ-CB 3.62Å; F188-R219 HydrophobicContact CZ-CG 3.69Å; H189-R219 PolarHBondContact CE1-NH2 3.32Å; H189-R219 PolarHBondContact NE2-NH2 3.43Å; A214-R219 HydrophobicContact CB-CB 4.41Å; A214-R219 HydrophobicContact CB-CG 3.59Å; Q215-R219 WeakPolarHBondContact O-CA 3.46Å; Q215-R219 PolarHBondContact O-N 3.02Å; P217-R219 VanDerWaalsContact C-N 3.29Å; P217-R219 PolarHBondContact O-N 2.77Å; R219-Y250 CarbonylContact O-C 3.54Å; R219-Y250 WeakPolarHBondContact O-CA 3.41Å; R219-Y250 VanDerWaalsContact O-CB 3.31Å; R219-Y250 WeakPolarHBondContact O-CB 3.28Å; R219-K251 PolarHBondContact O-N 3.39Å
220N98.3Very high98.1Very high26 Ų2633.4 Ų33.414%0.13921%0.214CC..  trans-104.4-170.3-179.5-60.6114.8000111.3Q215 G218 Y250 K251 L253Q215-N220 PolarHBondContact N-O 3.24Å; G218-N220 WeakPolarHBondContact CA-OD1 3.48Å; G218-N220 PolarHBondContact O-N 3.33Å; G218-N220 PolarHBondContact O-OD1 3.19Å; N220-Y250 VanDerWaalsContact O-CB 3.28Å; N220-Y250 WeakPolarHBondContact O-CB 3.34Å; N220-K251 WeakPolarHBondContact CA-O 3.44Å; N220-K251 PolarHBondContact ND2-O 3.07Å; N220-L253 HydrophobicContact CB-CD1 4.46Å; N220-L253 HydrophobicContact CB-CD2 4.35Å; N220-L253 HydrophobicContact CB-CG 4Å
221E98.6Very high98Very high8 Ų837.6 Ų37.64%0.03724%0.241CC..  trans-47.7139.2177.9-67.376.7178.800111.8Q215 D223 S224 Y250 P252 L253Q215-E221 WeakPolarHBondContact CB-O 3.43Å; E221-D223 VanDerWaalsContact CB-OD1 3.28Å; E221-D223 WeakPolarHBondContact CB-OD1 3.36Å; E221-D223 PolarHBondContact O-N 2.92Å; E221-S224 VanDerWaalsContact O-CB 3.3Å; E221-S224 WeakPolarHBondContact O-CB 3.31Å; E221-S224 PolarHBondContact O-N 3.04Å; E221-S224 PolarHBondContact O-OG 3.19Å; E221-Y250 HydrophobicContact CB-CE2 4.18Å; E221-Y250 HydrophobicContact CG-CD2 4.2Å; E221-Y250 HydrophobicContact CG-CE2 3.53Å; E221-P252 WeakPolarHBondContact OE1-CA 3.42Å; E221-P252 WeakPolarHBondContact OE1-CB 3.43Å; E221-L253 PolarHBondContact OE1-N 3.15Å; E221-L253 WeakPolarHBondContact OE2-CG 3.33Å; E221-L253 PolarHBondContact OE2-N 3.45Å; E221-L253 VanDerWaalsContact OE2-N 3.14Å
222P98Very high98Very high6 Ų642.9 Ų42.94%0.03926%0.262CS..THydrogen-bonded Turntrans-51.8-28.3176-3237.9000115.6I213 Q215 F230 W262I213-P222 HydrophobicContact CD1-CB 4.45Å; I213-P222 HydrophobicContact CD1-CG 3.61Å; I213-P222 HydrophobicContact CG1-CG 4.13Å; Q215-P222 PolarHBondContact NE2-O 2.92Å; P222-F230 HydrophobicContact CB-CB 4.11Å; P222-F230 HydrophobicContact CB-CD1 4.21Å; P222-F230 HydrophobicContact CB-CD2 3.56Å; P222-F230 HydrophobicContact CB-CE2 3.94Å; P222-F230 HydrophobicContact CB-CG 3.67Å; P222-F230 HydrophobicContact CB-CZ 4.44Å; P222-F230 WeakPolarHBondContact O-CD2 3.42Å; P222-W262 HydrophobicContact CB-CD2 4.15Å; P222-W262 HydrophobicContact CB-CE3 4.19Å; P222-W262 HydrophobicContact CG-CD2 3.99Å; P222-W262 HydrophobicContact CG-CE3 4.15Å; P222-W262 HydrophobicContact CG-CH2 3.94Å; P222-W262 HydrophobicContact CG-CZ2 3.76Å; P222-W262 HydrophobicContact CG-CZ3 4.12Å
223D97.6Very high98Very high101 Ų10143.2 Ų43.254%0.5426%0.264SS..THydrogen-bonded Turntrans-94.21.5177.368.8-26.7000114.2E221 W262E221-D223 VanDerWaalsContact CB-OD1 3.28Å; E221-D223 WeakPolarHBondContact CB-OD1 3.36Å; E221-D223 PolarHBondContact O-N 2.92Å; D223-W262 HydrophobicContact CB-CB 3.8Å
224S97.7Very high98Very high18 Ų1843.6 Ų43.613%0.12627%0.265CS..SBendtrans-68.2164.5173.481.10000111.4Q215 E221 G226Q215-S224 WeakPolarHBondContact CG-OG 3.18Å; E221-S224 VanDerWaalsContact O-CB 3.3Å; E221-S224 WeakPolarHBondContact O-CB 3.31Å; E221-S224 PolarHBondContact O-N 3.04Å; E221-S224 PolarHBondContact O-OG 3.19Å; S224-G226 PolarHBondContact O-N 3.27Å
225A97.3Very high97.9Very high102 Ų10246.2 Ų46.284%0.84328%0.283SS*.SBendtrans-55.9132.8170.800000110.8
226G97.1Very high97.9Very high45 Ų4546.3 Ų46.346%0.46428%0.284SS..SBendtrans173-173.1-177.300000111.7V216 S224V216-G226 CarbonylContact O-C 3.58Å; V216-G226 WeakPolarHBondContact O-CA 3.47Å; S224-G226 PolarHBondContact O-N 3.27Å
227E97.9Very high97.8Very high110 Ų11046.4 Ų46.451%0.51428%0.284SS..SBendtrans-94.6-14.6-173.762.9-170-119.300114.2Q191 V216Q191-E227 WeakPolarHBondContact CG-OE1 3.34Å; Q191-E227 PolarHBondContact NE2-OE1 3.15Å; V216-E227 HydrophobicContact CB-CG 3.84Å; V216-E227 VanDerWaalsContact CG1-CD 3.43Å; V216-E227 HydrophobicContact CG1-CG 3.85Å; V216-E227 PolarHBondContact O-N 3.41Å
228L98.4Very high97.9Very high20 Ų2044.2 Ų44.211%0.10527%0.266CS..  trans-94.9133.2-176.2-61.3179.6000113V187 Q191 L197 Q215 V216 F230V187-L228 HydrophobicContact CG1-CD1 3.72Å; Q191-L228 HydrophobicContact CB-CD1 4.2Å; Q191-L228 HydrophobicContact CB-CD2 4.21Å; Q191-L228 HydrophobicContact CG-CD1 4.26Å; Q191-L228 HydrophobicContact CG-CD2 3.69Å; Q191-L228 HydrophobicContact CG-CG 4.19Å; L197-L228 HydrophobicContact CD1-CD1 4.4Å; L197-L228 HydrophobicContact CD1-CD2 3.51Å; Q215-L228 PolarHBondContact NE2-O 2.71Å; Q215-L228 VanDerWaalsContact OE1-CB 3.29Å; V216-L228 HydrophobicContact CB-CD1 4.29Å; V216-L228 HydrophobicContact CB-CG 4.37Å; V216-L228 HydrophobicContact CG2-CD1 3.81Å; V216-L228 HydrophobicContact CG2-CG 4.4Å; L228-F230 HydrophobicContact CB-CD2 4.18Å; L228-F230 HydrophobicContact CB-CE2 3.9Å; L228-F230 HydrophobicContact CB-CZ 4.46Å; L228-F230 HydrophobicContact CD1-CE2 4.12Å; L228-F230 HydrophobicContact CD1-CZ 3.99Å; L228-F230 PolarHBondContact O-N 2.68Å
229N98.4Very high97.9Very high98 Ų9848.9 Ų48.952%0.52428%0.277SS..  trans-91.488169.8-178.6-3.9000110.4P231 Y232 L233N229-P231 VanDerWaalsContact OD1-CD 3.25Å; N229-P231 WeakPolarHBondContact OD1-CD 3.29Å; N229-Y232 WeakPolarHBondContact O-CB 3.25Å; N229-Y232 PolarHBondContact O-N 2.73Å; N229-Y232 PolarHBondContact OD1-N 2.75Å; N229-L233 PolarHBondContact O-N 2.66Å
230F98.4Very high97.8Very high3 Ų349.9 Ų49.91%0.01328%0.283CS..Hα-helixtrans-63.2-37.8179.1-82.8-77.7000115.3V187 I213 A214 Q215 P222 L228 Y232 L233 F234V187-F230 HydrophobicContact CG1-CE1 4.28Å; V187-F230 HydrophobicContact CG1-CZ 4.36Å; I213-F230 HydrophobicContact CB-CD1 4.44Å; I213-F230 HydrophobicContact CB-CE1 3.58Å; I213-F230 HydrophobicContact CB-CZ 4.06Å; I213-F230 HydrophobicContact CD1-CD1 4.49Å; I213-F230 HydrophobicContact CD1-CE1 4.4Å; I213-F230 HydrophobicContact CG2-CD1 4.33Å; I213-F230 HydrophobicContact CG2-CE1 3.62Å; I213-F230 HydrophobicContact CG2-CZ 4.5Å; A214-F230 WeakPolarHBondContact O-CZ 3.47Å; Q215-F230 HydrophobicContact CB-CE2 4.34Å; P222-F230 HydrophobicContact CB-CB 4.11Å; P222-F230 HydrophobicContact CB-CD1 4.21Å; P222-F230 HydrophobicContact CB-CD2 3.56Å; P222-F230 HydrophobicContact CB-CE2 3.94Å; P222-F230 HydrophobicContact CB-CG 3.67Å; P222-F230 HydrophobicContact CB-CZ 4.44Å; P222-F230 WeakPolarHBondContact O-CD2 3.42Å; L228-F230 HydrophobicContact CB-CD2 4.18Å; L228-F230 HydrophobicContact CB-CE2 3.9Å; L228-F230 HydrophobicContact CB-CZ 4.46Å; L228-F230 HydrophobicContact CD1-CE2 4.12Å; L228-F230 HydrophobicContact CD1-CZ 3.99Å; L228-F230 PolarHBondContact O-N 2.68Å; F230-Y232 PolarHBondContact O-N 2.97Å; F230-L233 HydrophobicContact CD1-CD1 4.17Å; F230-L233 HydrophobicContact CE1-CD1 4.2Å; F230-L233 PolarHBondContact O-N 3.49Å; F230-L233 VanDerWaalsContact O-N 3.08Å; F230-F234 HydrophobicContact CB-CD2 4.48Å; F230-F234 HydrophobicContact CB-CE1 4.39Å; F230-F234 HydrophobicContact CB-CE2 3.98Å; F230-F234 HydrophobicContact CB-CZ 3.93Å; F230-F234 AromaticContact CD1-CE1 3.71Å; F230-F234 HydrophobicContact CD1-CE1 3.71Å; F230-F234 AromaticContact CD1-CZ 3.8Å; F230-F234 HydrophobicContact CD1-CZ 3.8Å; F230-F234 HydrophobicContact CG-CE1 4.48Å; F230-F234 HydrophobicContact CG-CZ 4.19Å; F230-F234 WeakPolarHBondContact O-CB 3.26Å; F230-F234 WeakPolarHBondContact O-CD2 3.11Å; F230-F234 WeakPolarHBondContact O-CG 3.23Å; F230-F234 PolarHBondContact O-N 3.39Å
231P97.5Very high97.7Very high88 Ų8850.3 Ų50.357%0.57129%0.294SS*.Hα-helixtrans-51.6-42.4171-30.535.1000113.3N229 S235N229-P231 VanDerWaalsContact OD1-CD 3.25Å; N229-P231 WeakPolarHBondContact OD1-CD 3.29Å; P231-S235 PolarHBondContact O-N 3.15Å; P231-S235 VanDerWaalsContact O-N 3.13Å; P231-S235 PolarHBondContact O-OG 3.5Å; P231-S235 VanDerWaalsContact O-OG 3.1Å
232Y98.3Very high97.7Very high111 Ų11150.8 Ų50.844%0.43530%0.296SS..Hα-helixtrans-65.1-46.2174.4167.7-98.4000112.4T198 N229 F230 F234 S235 L236T198-Y232 VanDerWaalsContact CG2-OH 3.26Å; T198-Y232 WeakPolarHBondContact CG2-OH 3.32Å; T198-Y232 WeakPolarHBondContact OG1-CE1 3.36Å; T198-Y232 PolarHBondContact OG1-OH 3.36Å; N229-Y232 WeakPolarHBondContact O-CB 3.25Å; N229-Y232 PolarHBondContact O-N 2.73Å; N229-Y232 PolarHBondContact OD1-N 2.75Å; F230-Y232 PolarHBondContact O-N 2.97Å; Y232-F234 VanDerWaalsContact C-N 3.33Å; Y232-F234 PolarHBondContact O-N 2.94Å; Y232-S235 PolarHBondContact O-N 3.26Å; Y232-L236 PolarHBondContact O-N 2.91Å
233L98.5Very high97.6Very high10 Ų1055.3 Ų55.35%0.05232%0.316CS..Hα-helixtrans-64.1-36.3179.6-64.1176.7000112.5V187 L197 I201 N229 F230 L236 L237V187-L233 HydrophobicContact CG1-CD1 3.97Å; L197-L233 HydrophobicContact CB-CD2 4.31Å; L197-L233 HydrophobicContact CD1-CD1 4.04Å; L197-L233 HydrophobicContact CD1-CD2 4.33Å; I201-L233 HydrophobicContact CD1-CD2 4.15Å; N229-L233 PolarHBondContact O-N 2.66Å; F230-L233 HydrophobicContact CD1-CD1 4.17Å; F230-L233 HydrophobicContact CE1-CD1 4.2Å; F230-L233 PolarHBondContact O-N 3.49Å; F230-L233 VanDerWaalsContact O-N 3.08Å; L233-L236 WeakPolarHBondContact O-CB 3.34Å; L233-L236 PolarHBondContact O-N 3.12Å; L233-L237 WeakPolarHBondContact O-CG 3.37Å; L233-L237 PolarHBondContact O-N 3.16Å
234F98.2Very high97.5Very high10 Ų1051.1 Ų51.14%0.04430%0.296CS..Hα-helixtrans-66.6-47.2175.6-64.6-20.2000111.5L4 F6 I213 F230 Y232 L236 L237 E238 W262 Y266L4-F234 HydrophobicContact CD1-CB 3.67Å; L4-F234 HydrophobicContact CD1-CD1 4.04Å; L4-F234 HydrophobicContact CD1-CG 4Å; F6-F234 HydrophobicContact CE1-CE1 4Å; F6-F234 AromaticContact CE1-CZ 3.91Å; F6-F234 HydrophobicContact CE1-CZ 3.91Å; F6-F234 HydrophobicContact CZ-CD1 4.36Å; F6-F234 HydrophobicContact CZ-CD2 4.49Å; F6-F234 HydrophobicContact CZ-CE1 4.04Å; F6-F234 HydrophobicContact CZ-CE2 4.17Å; F6-F234 AromaticContact CZ-CZ 3.94Å; F6-F234 HydrophobicContact CZ-CZ 3.94Å; I213-F234 HydrophobicContact CD1-CE1 3.75Å; I213-F234 HydrophobicContact CD1-CZ 3.61Å; F230-F234 HydrophobicContact CB-CD2 4.48Å; F230-F234 HydrophobicContact CB-CE1 4.39Å; F230-F234 HydrophobicContact CB-CE2 3.98Å; F230-F234 HydrophobicContact CB-CZ 3.93Å; F230-F234 AromaticContact CD1-CE1 3.71Å; F230-F234 HydrophobicContact CD1-CE1 3.71Å; F230-F234 AromaticContact CD1-CZ 3.8Å; F230-F234 HydrophobicContact CD1-CZ 3.8Å; F230-F234 HydrophobicContact CG-CE1 4.48Å; F230-F234 HydrophobicContact CG-CZ 4.19Å; F230-F234 WeakPolarHBondContact O-CB 3.26Å; F230-F234 WeakPolarHBondContact O-CD2 3.11Å; F230-F234 WeakPolarHBondContact O-CG 3.23Å; F230-F234 PolarHBondContact O-N 3.39Å; Y232-F234 VanDerWaalsContact C-N 3.33Å; Y232-F234 PolarHBondContact O-N 2.94Å; F234-L236 VanDerWaalsContact C-N 3.26Å; F234-L236 PolarHBondContact O-N 2.89Å; F234-L237 PolarHBondContact O-N 3.19Å; F234-L237 VanDerWaalsContact O-N 3.12Å; F234-E238 WeakPolarHBondContact O-CG 3.39Å; F234-E238 PolarHBondContact O-N 3.27Å; F234-W262 HydrophobicContact CE2-CE3 4.08Å; F234-W262 AromaticContact CE2-CZ3 3.92Å; F234-W262 HydrophobicContact CE2-CZ3 3.92Å; F234-W262 HydrophobicContact CZ-CE3 4.25Å; F234-W262 AromaticContact CZ-CZ3 3.73Å; F234-W262 HydrophobicContact CZ-CZ3 3.73Å; F234-Y266 HydrophobicContact CD2-CE2 4.18Å
235S97.2Very high97.6Very high54 Ų5451.6 Ų51.638%0.37830%0.296SS..Hα-helixtrans-56.9-42174.2-61.60000111.8P231 Y232 L237 E238 E239P231-S235 PolarHBondContact O-N 3.15Å; P231-S235 VanDerWaalsContact O-N 3.13Å; P231-S235 PolarHBondContact O-OG 3.5Å; P231-S235 VanDerWaalsContact O-OG 3.1Å; Y232-S235 PolarHBondContact O-N 3.26Å; S235-L237 PolarHBondContact O-N 3.21Å; S235-E238 PolarHBondContact O-N 3.11Å; S235-E239 WeakPolarHBondContact O-CB 3.32Å; S235-E239 VanDerWaalsContact O-CG 3.31Å; S235-E239 WeakPolarHBondContact O-CG 3.44Å; S235-E239 PolarHBondContact O-N 3.07Å
236L97.9Very high97.6Very high7 Ų746.8 Ų46.84%0.03726%0.256CS..Hα-helixtrans-59.2-47.2175.3176.564.2000111.9T198 I201 Y232 L233 F234 E238 E239 M240T198-L236 HydrophobicContact CG2-CD2 4.08Å; I201-L236 HydrophobicContact CB-CD2 4.37Å; I201-L236 HydrophobicContact CD1-CD2 4.03Å; I201-L236 HydrophobicContact CG2-CD2 4.19Å; Y232-L236 PolarHBondContact O-N 2.91Å; L233-L236 WeakPolarHBondContact O-CB 3.34Å; L233-L236 PolarHBondContact O-N 3.12Å; F234-L236 VanDerWaalsContact C-N 3.26Å; F234-L236 PolarHBondContact O-N 2.89Å; L236-E238 VanDerWaalsContact C-N 3.33Å; L236-E238 PolarHBondContact O-N 3.01Å; L236-E239 PolarHBondContact O-N 3.02Å; L236-M240 HydrophobicContact CD1-CG 4.27Å; L236-M240 HydrophobicContact CD1-SD 3.81Å; L236-M240 HydrophobicContact CG-SD 3.92Å; L236-M240 WeakPolarHBondContact O-CB 3.47Å; L236-M240 WeakPolarHBondContact O-CG 3.35Å; L236-M240 PolarHBondContact O-N 3.46Å
237L98.1Very high97.7Very high4 Ų444.6 Ų44.62%0.02123%0.234CC..Hα-helixtrans-66-34.8178.5-69.2174.7000112.6L4 M185 I201 F205 I211 L233 F234 S235 G241 Y242 I246L4-L237 HydrophobicContact CD1-CB 4.43Å; L4-L237 HydrophobicContact CD2-CB 4.1Å; M185-L237 HydrophobicContact CE-CD2 4.39Å; I201-L237 HydrophobicContact CG2-CD2 4.17Å; F205-L237 HydrophobicContact CE2-CD2 4.3Å; I211-L237 HydrophobicContact CD1-CD1 3.92Å; I211-L237 HydrophobicContact CD1-CD2 3.63Å; I211-L237 HydrophobicContact CD1-CG 4.42Å; L233-L237 WeakPolarHBondContact O-CG 3.37Å; L233-L237 PolarHBondContact O-N 3.16Å; F234-L237 PolarHBondContact O-N 3.19Å; F234-L237 VanDerWaalsContact O-N 3.12Å; S235-L237 PolarHBondContact O-N 3.21Å; L237-G241 PolarHBondContact O-N 2.97Å; L237-G241 VanDerWaalsContact O-N 3.14Å; L237-Y242 PolarHBondContact O-N 3.16Å; L237-I246 HydrophobicContact CD1-CD1 3.85Å
238E97Very high97.7Very high42 Ų4239.4 Ų39.420%0.19621%0.209CC..Hα-helixtrans-65.1-47.9173.3-71.7-178.1156.500111.4M1 L4 F234 S235 L236 M240 G241M1-E238 HydrophobicContact CE-CB 4.19Å; L4-E238 HydrophobicContact CD1-CG 3.96Å; L4-E238 HydrophobicContact CD2-CG 3.88Å; L4-E238 HydrophobicContact CG-CG 3.55Å; F234-E238 WeakPolarHBondContact O-CG 3.39Å; F234-E238 PolarHBondContact O-N 3.27Å; S235-E238 PolarHBondContact O-N 3.11Å; L236-E238 VanDerWaalsContact C-N 3.33Å; L236-E238 PolarHBondContact O-N 3.01Å; E238-M240 VanDerWaalsContact C-N 3.28Å; E238-M240 PolarHBondContact O-N 2.72Å; E238-G241 WeakPolarHBondContact O-CA 3.22Å; E238-G241 PolarHBondContact O-N 2.87Å
239E96.8Very high97.8Very high140 Ų14039.2 Ų39.265%0.65421%0.208SC*.Hα-helixtrans-59.7-38176.3-74.7173.6-169.400112.4M1 S235 L236 G241M1-E239 HydrophobicContact CE-CG 4.22Å; S235-E239 WeakPolarHBondContact O-CB 3.32Å; S235-E239 VanDerWaalsContact O-CG 3.31Å; S235-E239 WeakPolarHBondContact O-CG 3.44Å; S235-E239 PolarHBondContact O-N 3.07Å; L236-E239 PolarHBondContact O-N 3.02Å; E239-G241 PolarHBondContact O-N 2.95Å
240M96.9Very high97.8Very high44 Ų4434.5 Ų34.522%0.21718%0.183CC..THydrogen-bonded Turntrans-76.9-5.7174.9-65.4177.874.200113.1I201 F205 L236 E238I201-M240 HydrophobicContact CG2-CE 4.04Å; I201-M240 HydrophobicContact CG2-SD 3.66Å; F205-M240 HydrophobicContact CB-CE 3.42Å; F205-M240 VanDerWaalsContact CB-CE 3.42Å; F205-M240 HydrophobicContact CD1-CE 3.96Å; F205-M240 HydrophobicContact CD2-CB 4.39Å; F205-M240 HydrophobicContact CD2-CE 3.52Å; F205-M240 HydrophobicContact CD2-SD 4.32Å; F205-M240 HydrophobicContact CE1-CB 4.16Å; F205-M240 WeakPolarHBondContact CE1-O 3.43Å; F205-M240 HydrophobicContact CE2-CB 3.89Å; F205-M240 HydrophobicContact CE2-CE 4.18Å; F205-M240 HydrophobicContact CG-CE 3.38Å; F205-M240 HydrophobicContact CZ-CB 3.76Å; F205-M240 WeakPolarHBondContact CZ-O 3.44Å; L236-M240 HydrophobicContact CD1-CG 4.27Å; L236-M240 HydrophobicContact CD1-SD 3.81Å; L236-M240 HydrophobicContact CG-SD 3.92Å; L236-M240 WeakPolarHBondContact O-CB 3.47Å; L236-M240 WeakPolarHBondContact O-CG 3.35Å; L236-M240 PolarHBondContact O-N 3.46Å; E238-M240 VanDerWaalsContact C-N 3.28Å; E238-M240 PolarHBondContact O-N 2.72Å
241G96.7Very high97.8Very high35 Ų3540.8 Ų40.836%0.36121%0.21SC..THydrogen-bonded Turntrans73.829.9174.300000114.3L237 E238 E239 Q243L237-G241 PolarHBondContact O-N 2.97Å; L237-G241 VanDerWaalsContact O-N 3.14Å; E238-G241 WeakPolarHBondContact O-CA 3.22Å; E238-G241 PolarHBondContact O-N 2.87Å; E239-G241 PolarHBondContact O-N 2.95Å; G241-Q243 WeakPolarHBondContact O-CG 3.48Å; G241-Q243 PolarHBondContact O-N 3.41Å; G241-Q243 PolarHBondContact O-NE2 3.02Å
242Y97.8Very high97.8Very high19 Ų1937.4 Ų37.48%0.07519%0.188CC..  trans-59.5123.7177.6-176.8-108.4000111.7L4 F205 I208 I211 L237 G244 Y245 I246L4-Y242 HydrophobicContact CD2-CD1 4.37Å; F205-Y242 HydrophobicContact CE2-CD2 4.15Å; F205-Y242 HydrophobicContact CE2-CG 4.5Å; F205-Y242 HydrophobicContact CZ-CD2 4.35Å; I208-Y242 HydrophobicContact CG2-CE2 4.26Å; I211-Y242 HydrophobicContact CB-CE1 4.41Å; I211-Y242 HydrophobicContact CD1-CD1 3.91Å; I211-Y242 HydrophobicContact CD1-CD2 3.71Å; I211-Y242 HydrophobicContact CD1-CE1 3.77Å; I211-Y242 HydrophobicContact CD1-CE2 3.58Å; I211-Y242 HydrophobicContact CD1-CG 3.88Å; I211-Y242 HydrophobicContact CG1-CD2 4.46Å; I211-Y242 HydrophobicContact CG1-CE1 4.14Å; I211-Y242 HydrophobicContact CG1-CE2 3.83Å; I211-Y242 PolarHBondContact N-OH 3.41Å; L237-Y242 PolarHBondContact O-N 3.16Å; Y242-G244 VanDerWaalsContact CE1-C 3.41Å; Y242-G244 WeakPolarHBondContact CE1-O 3.42Å; Y242-G244 VanDerWaalsContact CZ-CA 3.45Å; Y242-Y245 WeakPolarHBondContact CE1-O 3.36Å; Y242-Y245 PolarHBondContact OH-O 3.41Å; Y242-I246 HydrophobicContact CD1-CD1 4.47Å; Y242-I246 HydrophobicContact CD1-CG1 4.17Å; Y242-I246 HydrophobicContact CE1-CG1 3.74Å
243Q95.8Very high97.7Very high101 Ų10138 Ų3847%0.47220%0.198SC..  trans-111.30.1-177.3-60.1-52-63.300113.7K5 G241K5-Q243 WeakPolarHBondContact CE-O 3.46Å; K5-Q243 PolarHBondContact NZ-O 2.87Å; G241-Q243 WeakPolarHBondContact O-CG 3.48Å; G241-Q243 PolarHBondContact O-N 3.41Å; G241-Q243 PolarHBondContact O-NE2 3.02Å
244G96.4Very high97.6Very high12 Ų1240 Ų4012%0.12422%0.221CC..SBendtrans-75.9-177.3176.500000112.4Y242Y242-G244 VanDerWaalsContact CE1-C 3.41Å; Y242-G244 WeakPolarHBondContact CE1-O 3.42Å; Y242-G244 VanDerWaalsContact CZ-CA 3.45Å
245Y98.1Very high97.5Very high29 Ų2941.7 Ų41.711%0.11423%0.234CC..EExtended strand (participates in β ladder)trans-86.3152.6165.7-74-88.9000109.9K5 C7 A34 V60 H210 Y242K5-Y245 HydrophobicContact CB-CD1 3.59Å; K5-Y245 HydrophobicContact CB-CE1 3.73Å; K5-Y245 HydrophobicContact CB-CG 4.23Å; K5-Y245 HydrophobicContact CD-CE1 4.24Å; K5-Y245 HydrophobicContact CG-CE1 4.46Å; K5-Y245 CarbonylContact O-C 3.55Å; K5-Y245 WeakPolarHBondContact O-CA 3.32Å; C7-Y245 HydrophobicContact CB-CD1 4.17Å; C7-Y245 HydrophobicContact CB-CG 4.42Å; A34-Y245 HydrophobicContact CB-CD1 3.61Å; A34-Y245 HydrophobicContact CB-CD2 4.46Å; A34-Y245 HydrophobicContact CB-CE1 3.31Å; A34-Y245 HydrophobicContact CB-CE2 4.22Å; A34-Y245 HydrophobicContact CB-CG 4.19Å; V60-Y245 HydrophobicContact CB-CD2 4.21Å; V60-Y245 HydrophobicContact CG1-CD2 3.64Å; V60-Y245 HydrophobicContact CG1-CE2 3.76Å; V60-Y245 HydrophobicContact CG1-CG 4.21Å; V60-Y245 HydrophobicContact CG2-CD2 4.49Å; V60-Y245 HydrophobicContact CG2-CG 4.4Å; H210-Y245 PolarHBondContact CE1-O 2.9Å; H210-Y245 PolarHBondContact ND1-O 3.35Å; Y242-Y245 WeakPolarHBondContact CE1-O 3.36Å; Y242-Y245 PolarHBondContact OH-O 3.41Å
246I98.8Very high97.5Very high0 Ų039.3 Ų39.30%022%0.218CC..EExtended strand (participates in β ladder)trans-109117.5170.1-58.9178.4000107.8L4 K5 F6 C7 I211 I213 L237 Y242L4-I246 HydrophobicContact CB-CD1 4.24Å; L4-I246 HydrophobicContact CD1-CD1 3.82Å; L4-I246 HydrophobicContact CD2-CD1 4.13Å; L4-I246 HydrophobicContact CG-CD1 4.28Å; K5-I246 PolarHBondContact O-N 3.36Å; F6-I246 CarbonylContact C-O 3.56Å; F6-I246 VanDerWaalsContact CA-O 3.28Å; F6-I246 WeakPolarHBondContact CA-O 3.33Å; F6-I246 HydrophobicContact CD1-CB 3.76Å; F6-I246 HydrophobicContact CD1-CG2 3.97Å; F6-I246 HydrophobicContact CE1-CB 3.86Å; F6-I246 HydrophobicContact CE1-CD1 4.08Å; F6-I246 HydrophobicContact CE1-CG2 3.83Å; F6-I246 HydrophobicContact CZ-CD1 4.2Å; C7-I246 PolarHBondContact N-O 2.78Å; I211-I246 HydrophobicContact CB-CG1 4.34Å; I211-I246 HydrophobicContact CG2-CG1 4.47Å; I211-I246 HydrophobicContact CG2-CG2 4.2Å; I211-I246 CarbonylContact O-C 3.5Å; I211-I246 VanDerWaalsContact O-CA 3.31Å; I211-I246 WeakPolarHBondContact O-CA 3.2Å; I213-I246 HydrophobicContact CB-CG2 4.39Å; I213-I246 HydrophobicContact CD1-CG2 3.89Å; I213-I246 HydrophobicContact CG1-CG2 3.88Å; I213-I246 HydrophobicContact CG2-CG2 3.71Å; L237-I246 HydrophobicContact CD1-CD1 3.85Å; Y242-I246 HydrophobicContact CD1-CD1 4.47Å; Y242-I246 HydrophobicContact CD1-CG1 4.17Å; Y242-I246 HydrophobicContact CE1-CG1 3.74Å
247G98.8Very high97.4Very high0 Ų043.5 Ų43.50%024%0.24CC..EExtended strand (participates in β ladder)trans-75.7124.8179.400000113C7 E36 I211 Q212 I213 E249C7-G247 WeakPolarHBondContact SG-CA 3.4Å; E36-G247 VanDerWaalsContact OE2-CA 3.28Å; E36-G247 WeakPolarHBondContact OE2-CA 3.37Å; I211-G247 PolarHBondContact O-N 3.25Å; Q212-G247 CarbonylContact C-O 3.57Å; Q212-G247 VanDerWaalsContact CA-O 3.31Å; Q212-G247 WeakPolarHBondContact CA-O 3.3Å; I213-G247 PolarHBondContact N-O 2.91Å; G247-E249 VanDerWaalsContact C-N 3.29Å; G247-E249 PolarHBondContact O-N 2.81Å; G247-E249 VanDerWaalsContact O-N 3.08Å
248C98.8Very high97.3Very high0 Ų050.6 Ų50.60%027%0.273CS..EExtended strand (participates in β ladder)trans-81.870.8174-61.90000110.3C7 N9 L13 Y250 W262C7-C248 WeakPolarHBondContact O-CB 3.43Å; C7-C248 PolarHBondContact O-N 3.18Å; N9-C248 WeakPolarHBondContact CB-O 3.38Å; L13-C248 HydrophobicContact CD1-CB 3.78Å; C248-Y250 HydrophobicContact CB-CD1 4.16Å; C248-Y250 HydrophobicContact CB-CE1 3.72Å; C248-Y250 PolarHBondContact O-N 3.37Å; C248-W262 HydrophobicContact CB-CZ2 4.5Å; C248-W262 VanDerWaalsContact SG-CH2 3.6Å; C248-W262 VanDerWaalsContact SG-CZ2 3.59Å
249E98.6Very high97.3Very high16 Ų1649.3 Ų49.38%0.07527%0.271CS..  trans-93.369.8-177-166.3175.5-165.500112.5N9 W12 Q212 I213 A214 G247N9-E249 HydrophobicContact CB-CB 4.13Å; N9-E249 HydrophobicContact CB-CG 4.34Å; N9-E249 WeakPolarHBondContact ND2-CG 3.28Å; W12-E249 HydrophobicContact CD2-CG 4.36Å; W12-E249 HydrophobicContact CG-CG 3.97Å; W12-E249 VanDerWaalsContact NE1-CG 3.26Å; W12-E249 PolarHBondContact NE1-OE1 3.42Å; Q212-E249 HydrophobicContact CB-CB 4.36Å; Q212-E249 HydrophobicContact CG-CB 4.42Å; Q212-E249 PolarHBondContact NE2-OE2 3.18Å; Q212-E249 PolarHBondContact OE1-OE2 2.8Å; I213-E249 PolarHBondContact O-N 3.27Å; A214-E249 WeakPolarHBondContact CB-O 3.39Å; G247-E249 VanDerWaalsContact C-N 3.29Å; G247-E249 PolarHBondContact O-N 2.81Å; G247-E249 VanDerWaalsContact O-N 3.08Å
250Y98.6Very high97.3Very high0 Ų042.9 Ų42.90%024%0.241CC..  trans-136.9155.5179.764.9-98.7000111.9W12 L13 R219 N220 E221 C248 P252 W262W12-Y250 WeakPolarHBondContact CB-O 3.31Å; L13-Y250 HydrophobicContact CD2-CD2 3.99Å; L13-Y250 HydrophobicContact CD2-CE1 4.31Å; L13-Y250 HydrophobicContact CD2-CE2 3.61Å; L13-Y250 HydrophobicContact CD2-CG 4.45Å; L13-Y250 WeakPolarHBondContact CD2-O 3.4Å; R219-Y250 CarbonylContact O-C 3.54Å; R219-Y250 WeakPolarHBondContact O-CA 3.41Å; R219-Y250 VanDerWaalsContact O-CB 3.31Å; R219-Y250 WeakPolarHBondContact O-CB 3.28Å; N220-Y250 VanDerWaalsContact O-CB 3.28Å; N220-Y250 WeakPolarHBondContact O-CB 3.34Å; E221-Y250 HydrophobicContact CB-CE2 4.18Å; E221-Y250 HydrophobicContact CG-CD2 4.2Å; E221-Y250 HydrophobicContact CG-CE2 3.53Å; C248-Y250 HydrophobicContact CB-CD1 4.16Å; C248-Y250 HydrophobicContact CB-CE1 3.72Å; C248-Y250 PolarHBondContact O-N 3.37Å; Y250-P252 HydrophobicContact CE2-CG 4.19Å; Y250-P252 WeakPolarHBondContact O-CD 3.12Å; Y250-W262 AromaticContact CE1-CZ2 3.89Å; Y250-W262 HydrophobicContact CE1-CZ2 3.89Å; Y250-W262 AromaticContact CZ-NE1 3.87Å; Y250-W262 PolarHBondContact OH-NE1 2.99Å
251K98.1Very high97.3Very high135 Ų13542.9 Ų42.959%0.58725%0.252SS*.  trans-84.3118.6171.6-174.8179178.5-178.90109.5W12 R219 N220W12-K251 HydrophobicContact CE3-CB 3.92Å; W12-K251 HydrophobicContact CZ3-CB 4.04Å; R219-K251 PolarHBondContact O-N 3.39Å; N220-K251 WeakPolarHBondContact CA-O 3.44Å; N220-K251 PolarHBondContact ND2-O 3.07Å
252P98.1Very high97.4Very high17 Ų1742.8 Ų42.811%0.1124%0.241CC..  trans-60144.8177.2-24.936000112.5L13 E221 Y250 G254L13-P252 HydrophobicContact CD2-CG 3.62Å; E221-P252 WeakPolarHBondContact OE1-CA 3.42Å; E221-P252 WeakPolarHBondContact OE1-CB 3.43Å; Y250-P252 HydrophobicContact CE2-CG 4.19Å; Y250-P252 WeakPolarHBondContact O-CD 3.12Å; P252-G254 VanDerWaalsContact C-N 3.32Å; P252-G254 WeakPolarHBondContact CB-O 3.41Å
253L97.1Very high97.3Very high123 Ų12341.9 Ų41.964%0.64424%0.237SC*.SBendtrans-69.9-31.4173.2-78.3170.4000112.5N220 E221N220-L253 HydrophobicContact CB-CD1 4.46Å; N220-L253 HydrophobicContact CB-CD2 4.35Å; N220-L253 HydrophobicContact CB-CG 4Å; E221-L253 PolarHBondContact OE1-N 3.15Å; E221-L253 WeakPolarHBondContact OE2-CG 3.33Å; E221-L253 PolarHBondContact OE2-N 3.45Å; E221-L253 VanDerWaalsContact OE2-N 3.14Å
254G95.8Very high97.2Very high52 Ų5242.2 Ų42.254%0.53624%0.237SC..SBendtrans-130.3-139.5178.100000111.3P252P252-G254 VanDerWaalsContact C-N 3.32Å; P252-G254 WeakPolarHBondContact CB-O 3.41Å
255S96.1Very high96.9Very high46 Ų4646 Ų4632%0.32225%0.254SS..  trans-69.2148.4167.974.10000110.1N257 E258 G259S255-N257 VanDerWaalsContact C-N 3.28Å; S255-N257 PolarHBondContact O-N 3.17Å; S255-E258 WeakPolarHBondContact CB-OE2 3.23Å; S255-E258 PolarHBondContact N-OE2 3.1Å; S255-E258 PolarHBondContact O-N 2.7Å; S255-E258 WeakPolarHBondContact OG-CB 3.47Å; S255-E258 WeakPolarHBondContact OG-CG 3.26Å; S255-E258 PolarHBondContact OG-N 3.04Å; S255-E258 PolarHBondContact OG-OE2 3.33Å; S255-G259 PolarHBondContact O-N 3.32Å
256T97.4Very high96.7Very high4 Ų446.3 Ų46.33%0.02526%0.256CS..Hα-helixtrans-54.9-47.5179.4-58.70000110.8L13 F14 E258 G259 L260L13-T256 HydrophobicContact CB-CG2 3.95Å; L13-T256 HydrophobicContact CD2-CG2 4.23Å; L13-T256 HydrophobicContact CG-CG2 4.46Å; F14-T256 HydrophobicContact CD1-CG2 3.75Å; F14-T256 HydrophobicContact CD2-CG2 4.1Å; F14-T256 HydrophobicContact CE1-CG2 3.47Å; F14-T256 VanDerWaalsContact CE1-CG2 3.47Å; F14-T256 HydrophobicContact CE2-CG2 3.83Å; F14-T256 HydrophobicContact CG-CG2 4.07Å; F14-T256 HydrophobicContact CZ-CG2 3.51Å; F14-T256 PolarHBondContact N-OG1 3.43Å; T256-E258 VanDerWaalsContact C-N 3.31Å; T256-E258 PolarHBondContact O-N 3.37Å; T256-G259 PolarHBondContact O-N 3.38Å; T256-G259 VanDerWaalsContact O-N 3.08Å; T256-L260 HydrophobicContact CG2-CD1 4.45Å; T256-L260 HydrophobicContact CG2-CD2 4.44Å; T256-L260 HydrophobicContact CG2-CG 4.41Å; T256-L260 WeakPolarHBondContact O-CG 3.32Å; T256-L260 PolarHBondContact O-N 3.25Å
257N96.3Very high96.4Very high95 Ų9547 Ų4751%0.50826%0.259SS..Hα-helixtrans-61.6-34.9-175.6-74-41.7000113.8S255S255-N257 VanDerWaalsContact C-N 3.28Å; S255-N257 PolarHBondContact O-N 3.17Å
258E95.4Very high95.9Very high153 Ų15353.5 Ų53.572%0.71529%0.288SS*.Hα-helixtrans-68.2-36.6176.5-72.4164.4155.200111.5S255 T256 L260S255-E258 WeakPolarHBondContact CB-OE2 3.23Å; S255-E258 PolarHBondContact N-OE2 3.1Å; S255-E258 PolarHBondContact O-N 2.7Å; S255-E258 WeakPolarHBondContact OG-CB 3.47Å; S255-E258 WeakPolarHBondContact OG-CG 3.26Å; S255-E258 PolarHBondContact OG-N 3.04Å; S255-E258 PolarHBondContact OG-OE2 3.33Å; T256-E258 VanDerWaalsContact C-N 3.31Å; T256-E258 PolarHBondContact O-N 3.37Å; E258-L260 PolarHBondContact O-N 2.97Å
259G96.4Very high95.1Very high15 Ų1561.2 Ų61.216%0.15532%0.317CS..Hα-helixtrans-80.5-2.8-179.100000115.8S255 T256 G261 W262S255-G259 PolarHBondContact O-N 3.32Å; T256-G259 PolarHBondContact O-N 3.38Å; T256-G259 VanDerWaalsContact O-N 3.08Å; G259-G261 PolarHBondContact O-N 3.34Å; G259-W262 VanDerWaalsContact O-CD1 3.22Å
260L97.6Very high93.9Very high5 Ų562 Ų623%0.02632%0.321CS..G310 helixtrans-81.98.1-177.9-68177.8000114.4F14 A30 F32 T256 E258 W262 V263 K264F14-L260 HydrophobicContact CZ-CD1 4.29Å; A30-L260 HydrophobicContact CB-CD1 3.64Å; F32-L260 HydrophobicContact CE2-CD1 3.95Å; F32-L260 HydrophobicContact CE2-CD2 3.85Å; F32-L260 HydrophobicContact CZ-CD2 3.86Å; T256-L260 HydrophobicContact CG2-CD1 4.45Å; T256-L260 HydrophobicContact CG2-CD2 4.44Å; T256-L260 HydrophobicContact CG2-CG 4.41Å; T256-L260 WeakPolarHBondContact O-CG 3.32Å; T256-L260 PolarHBondContact O-N 3.25Å; E258-L260 PolarHBondContact O-N 2.97Å; L260-W262 VanDerWaalsContact C-N 3.28Å; L260-W262 PolarHBondContact O-N 3.46Å; L260-V263 HydrophobicContact CB-CG1 4.24Å; L260-V263 HydrophobicContact CD2-CG1 3.96Å; L260-V263 PolarHBondContact O-N 3.39Å; L260-K264 WeakPolarHBondContact O-CG 3.33Å; L260-K264 PolarHBondContact O-N 3.16Å
261G97.1Very high92.2Very high43 Ų4372.8 Ų72.844%0.44336%0.362SS..G310 helixtrans-50.1-46.4-179.100000113.5G259 V263G259-G261 PolarHBondContact O-N 3.34Å; G261-V263 VanDerWaalsContact C-N 3.34Å; G261-V263 PolarHBondContact O-N 2.99Å
262W97.3Very high91.9Very high34 Ų3469.7 Ų69.713%0.12935%0.351CS..G310 helixtrans-64.1-29-175.870.9-91.5000115.1F6 I213 P222 D223 F234 C248 Y250 G259 L260F6-W262 AromaticContact CD1-CH2 3.67Å; F6-W262 HydrophobicContact CD1-CH2 3.67Å; F6-W262 AromaticContact CD1-CZ3 3.97Å; F6-W262 HydrophobicContact CD1-CZ3 3.97Å; F6-W262 AromaticContact CE1-CH2 3.72Å; F6-W262 HydrophobicContact CE1-CH2 3.72Å; F6-W262 AromaticContact CE1-CZ3 3.58Å; F6-W262 HydrophobicContact CE1-CZ3 3.58Å; F6-W262 HydrophobicContact CG-CH2 4.44Å; F6-W262 AromaticContact CZ-CZ3 3.99Å; F6-W262 HydrophobicContact CZ-CZ3 3.99Å; I213-W262 HydrophobicContact CD1-CH2 3.68Å; I213-W262 HydrophobicContact CD1-CZ2 4.5Å; I213-W262 HydrophobicContact CD1-CZ3 4.01Å; P222-W262 HydrophobicContact CB-CD2 4.15Å; P222-W262 HydrophobicContact CB-CE3 4.19Å; P222-W262 HydrophobicContact CG-CD2 3.99Å; P222-W262 HydrophobicContact CG-CE3 4.15Å; P222-W262 HydrophobicContact CG-CH2 3.94Å; P222-W262 HydrophobicContact CG-CZ2 3.76Å; P222-W262 HydrophobicContact CG-CZ3 4.12Å; D223-W262 HydrophobicContact CB-CB 3.8Å; F234-W262 HydrophobicContact CE2-CE3 4.08Å; F234-W262 AromaticContact CE2-CZ3 3.92Å; F234-W262 HydrophobicContact CE2-CZ3 3.92Å; F234-W262 HydrophobicContact CZ-CE3 4.25Å; F234-W262 AromaticContact CZ-CZ3 3.73Å; F234-W262 HydrophobicContact CZ-CZ3 3.73Å; C248-W262 HydrophobicContact CB-CZ2 4.5Å; C248-W262 VanDerWaalsContact SG-CH2 3.6Å; C248-W262 VanDerWaalsContact SG-CZ2 3.59Å; Y250-W262 AromaticContact CE1-CZ2 3.89Å; Y250-W262 HydrophobicContact CE1-CZ2 3.89Å; Y250-W262 AromaticContact CZ-NE1 3.87Å; Y250-W262 PolarHBondContact OH-NE1 2.99Å; G259-W262 VanDerWaalsContact O-CD1 3.22Å; L260-W262 VanDerWaalsContact C-N 3.28Å; L260-W262 PolarHBondContact O-N 3.46Å
263V97.1Very high91.5Very high0 Ų072.4 Ų72.40%036%0.363CS..G310 helixtrans-100.9-13.7-173.275.10000113.4F6 F32 L260 G261 D265 Y266 L267F6-V263 HydrophobicContact CB-CG2 3.85Å; F6-V263 HydrophobicContact CD1-CG2 4.16Å; F6-V263 HydrophobicContact CD2-CG2 3.78Å; F6-V263 HydrophobicContact CE2-CG2 4.39Å; F6-V263 HydrophobicContact CG-CG2 3.65Å; F32-V263 HydrophobicContact CZ-CG1 4.2Å; L260-V263 HydrophobicContact CB-CG1 4.24Å; L260-V263 HydrophobicContact CD2-CG1 3.96Å; L260-V263 PolarHBondContact O-N 3.39Å; G261-V263 VanDerWaalsContact C-N 3.34Å; G261-V263 PolarHBondContact O-N 2.99Å; V263-D265 VanDerWaalsContact C-N 3.26Å; V263-D265 PolarHBondContact O-N 3.46Å; V263-D265 VanDerWaalsContact O-N 3.1Å; V263-Y266 PolarHBondContact O-N 3.43Å; V263-L267 HydrophobicContact CG1-CD1 3.82Å; V263-L267 HydrophobicContact CG1-CG 4.16Å; V263-L267 HydrophobicContact CG2-CD2 4.25Å; V263-L267 HydrophobicContact CG2-CG 4.08Å; V263-L267 PolarHBondContact O-N 3.06Å
264K93.9Very high91.2Very high107 Ų10769.6 Ų69.647%0.46535%0.348SS..Hα-helixtrans-50.7-41.5-172.9-85.8172.4-170.9177.90113.9L260 L267 K268L260-K264 WeakPolarHBondContact O-CG 3.33Å; L260-K264 PolarHBondContact O-N 3.16Å; K264-L267 PolarHBondContact O-N 2.57Å; K264-K268 WeakPolarHBondContact O-CG 3.43Å; K264-K268 PolarHBondContact O-N 2.72Å; K264-K268 VanDerWaalsContact O-N 3.08Å
265D90.5Very high91Very high91 Ų9170.6 Ų70.649%0.48734%0.337SS..Hα-helixtrans-71.7-34.8-177.9-74.1-10.7000112.4V263 R269V263-D265 VanDerWaalsContact C-N 3.26Å; V263-D265 PolarHBondContact O-N 3.46Å; V263-D265 VanDerWaalsContact O-N 3.1Å; D265-R269 VanDerWaalsContact O-CG 3.24Å; D265-R269 WeakPolarHBondContact O-CG 3.47Å; D265-R269 PolarHBondContact O-N 3.34Å
266Y93.1Very high90.6Very high37 Ų3772.2 Ų72.215%0.14534%0.338CS..Hα-helixtrans-67.6-40.6172.3-69.7-77.5000111.6L4 F6 F234 V263 K268 R269 N270L4-Y266 HydrophobicContact CB-CD1 4.27Å; L4-Y266 HydrophobicContact CB-CE1 4.2Å; F6-Y266 HydrophobicContact CD2-CD2 4.42Å; F6-Y266 AromaticContact CD2-CG 3.99Å; F6-Y266 HydrophobicContact CD2-CG 3.99Å; F6-Y266 AromaticContact CE2-CD1 3.76Å; F6-Y266 HydrophobicContact CE2-CD1 3.76Å; F6-Y266 AromaticContact CE2-CD2 3.66Å; F6-Y266 HydrophobicContact CE2-CD2 3.66Å; F6-Y266 HydrophobicContact CE2-CE1 4.29Å; F6-Y266 HydrophobicContact CE2-CE2 4.19Å; F6-Y266 AromaticContact CE2-CG 3.42Å; F6-Y266 HydrophobicContact CE2-CG 3.42Å; F6-Y266 VanDerWaalsContact CE2-CG 3.42Å; F6-Y266 HydrophobicContact CZ-CD2 4.25Å; F6-Y266 HydrophobicContact CZ-CE2 4.44Å; F6-Y266 HydrophobicContact CZ-CG 4.4Å; F234-Y266 HydrophobicContact CD2-CE2 4.18Å; V263-Y266 PolarHBondContact O-N 3.43Å; Y266-K268 VanDerWaalsContact C-N 3.32Å; Y266-K268 PolarHBondContact O-N 3.2Å; Y266-R269 PolarHBondContact O-N 3.34Å; Y266-N270 PolarHBondContact O-N 3.17Å; Y266-N270 PolarHBondContact O-ND2 3.27Å
267L91.9Very high90.2Very high13 Ų1376.7 Ų76.77%0.06836%0.359CS..Hα-helixtrans-65.9-33.6178.3-62-175.3000112.8F6 F32 V263 K264F6-L267 HydrophobicContact CB-CD2 4.42Å; F32-L267 HydrophobicContact CD1-CD1 4.31Å; F32-L267 HydrophobicContact CD1-CD2 3.77Å; F32-L267 HydrophobicContact CD2-CD1 4.14Å; F32-L267 HydrophobicContact CE1-CD1 4.25Å; F32-L267 HydrophobicContact CE1-CD2 4.01Å; F32-L267 HydrophobicContact CE2-CD1 4.07Å; F32-L267 HydrophobicContact CG-CD1 4.27Å; F32-L267 HydrophobicContact CG-CD2 4.28Å; F32-L267 HydrophobicContact CZ-CD1 4.13Å; V263-L267 HydrophobicContact CG1-CD1 3.82Å; V263-L267 HydrophobicContact CG1-CG 4.16Å; V263-L267 HydrophobicContact CG2-CD2 4.25Å; V263-L267 HydrophobicContact CG2-CG 4.08Å; V263-L267 PolarHBondContact O-N 3.06Å; K264-L267 PolarHBondContact O-N 2.57Å
268K88.6Confident89.7Confident138 Ų13875.4 Ų75.460%0.635%0.348SS*.Hα-helixtrans-70.4-38.6175.8-73.7170.4-175.2170.90113K264 Y266 N270K264-K268 WeakPolarHBondContact O-CG 3.43Å; K264-K268 PolarHBondContact O-N 2.72Å; K264-K268 VanDerWaalsContact O-N 3.08Å; Y266-K268 VanDerWaalsContact C-N 3.32Å; Y266-K268 PolarHBondContact O-N 3.2Å; K268-N270 VanDerWaalsContact C-N 3.3Å; K268-N270 PolarHBondContact O-N 2.75Å
269R81.9Confident89.3Confident161 Ų16169.5 Ų69.561%0.60832%0.32SS*.Hα-helixtrans-73.5-20.2-176-71.1171.9-169.4-179.85.9113.8P3 D265 Y266P3-R269 HydrophobicContact CB-CB 4.34Å; P3-R269 HydrophobicContact CG-CB 4.13Å; D265-R269 VanDerWaalsContact O-CG 3.24Å; D265-R269 WeakPolarHBondContact O-CG 3.47Å; D265-R269 PolarHBondContact O-N 3.34Å; Y266-R269 PolarHBondContact O-N 3.34Å
270N73.1Confident88.7Confident33 Ų3374 Ų7418%0.17633%0.333CS..THydrogen-bonded Turntrans-94.20.4-179.7-72.6-53.8000113.6P3 L4 Q33 Y266 K268P3-N270 WeakPolarHBondContact CG-OD1 3.46Å; L4-N270 PolarHBondContact O-ND2 2.9Å; Q33-N270 VanDerWaalsContact CD-O 3.28Å; Q33-N270 PolarHBondContact NE2-O 3.31Å; Q33-N270 PolarHBondContact OE1-O 2.93Å; Y266-N270 PolarHBondContact O-N 3.17Å; Y266-N270 PolarHBondContact O-ND2 3.27Å; K268-N270 VanDerWaalsContact C-N 3.3Å; K268-N270 PolarHBondContact O-N 2.75Å
271R62.5Low87.9Confident226 Ų22680.3 Ų80.385%0.85336%0.361SS*.  trans-76.10174.9-76.5-174.4-179.6-167.3-1.2113.2

Retrieved 271 of 271 residues in 2468.4 ms (Link to these results)

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