A0A087Y425_POEFO Loading...

Cytoplasmic tRNA 2-thiolation protein 1

Plays a central role in 2-thiolation of mcm(5)S(2)U at tRNA wobble positions of tRNA(Lys), tRNA(Glu) and tRNA(Gln). Directly binds tRNAs and probably acts by catalyzing adenylation of tRNAs, an intermediate required for 2-thiolation. It is unclear whether it acts as a sulfurtransferase that transfers sulfur from thiocarboxylated URM1 onto the uridine of tRNAs at wobble position.

AlphaFold DB , UniProt , Accession A0A087Y425, Species POEFO (Poecilia formosa, Amazon molly), Gene CTU1, Length 343 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
1M72.4Confident92.3Very high227 Ų22793.9 Ų93.9100%1.11853%0.526SS*.  0143.30-70.9177.6178.700108.8V3M1-V3 PolarHBondContact O-N 3.44Å
2P83Confident92.6Very high80 Ų80100.8 Ų100.852%0.51954%0.538SS..PPolyproline II helixtrans-61.1127.6175.925.2-31.8000109.8L4 R12P2-L4 PolarHBondContact O-N 3.04Å; P2-R12 HydrophobicContact CB-CG 4.33Å
3V93.6Very high93Very high90 Ų9095.1 Ų95.155%0.54551%0.513SS..PPolyproline II helixtrans-69.9124.3178.6-178.40000108.6M1 A13M1-V3 PolarHBondContact O-N 3.44Å; V3-A13 HydrophobicContact CG1-CB 4.44Å; V3-A13 WeakPolarHBondContact O-CB 3.33Å; V3-A13 PolarHBondContact O-N 2.85Å
4L96.5Very high93.2Very high93 Ų9393.8 Ų93.849%0.48751%0.51SS..BIsolated β-bridgetrans-76.8154.7175.2-66.2175.4000110.8P2 S6P2-L4 PolarHBondContact O-N 3.04Å; L4-S6 PolarHBondContact O-N 3.09Å
5C97.4Very high93.4Very high1 Ų188.8 Ų88.81%0.00748%0.482CS..PPolyproline II helixtrans-62.7123.6175.3177.90000109.9S7 S9 K11 S23 C25 C28C5-S7 PolarHBondContact O-N 3.07Å; C5-S7 VanDerWaalsContact O-N 3.16Å; C5-S9 WeakPolarHBondContact O-CA 3.27Å; C5-S9 PolarHBondContact O-N 2.85Å; C5-K11 WeakPolarHBondContact CB-O 3.25Å; C5-K11 PolarHBondContact N-O 3.19Å; C5-S23 CarbonylContact C-O 3.53Å; C5-S23 WeakPolarHBondContact CA-O 3.31Å; C5-C25 HydrophobicContact CB-CB 4.02Å; C5-C25 PolarHBondContact SG-N 2.9Å; C5-C28 VanDerWaalsContact SG-SG 3.67Å
6S96.7Very high93.5Very high68 Ų6892.3 Ų92.348%0.47649%0.491SS..THydrogen-bonded Turntrans-71-7.8-178.666.30000114.4L4 S23L4-S6 PolarHBondContact O-N 3.09Å; S6-S23 PolarHBondContact N-O 2.93Å; S6-S23 PolarHBondContact OG-O 3.24Å
7S96.1Very high93.5Very high78 Ų7887.4 Ų87.455%0.54547%0.465SS..THydrogen-bonded Turntrans-98.6-48.4179.6170.60000112.3C5C5-S7 PolarHBondContact O-N 3.07Å; C5-S7 VanDerWaalsContact O-N 3.16Å
8C96.4Very high93.5Very high38 Ų3884.1 Ų84.126%0.25745%0.449SS..THydrogen-bonded Turntrans-101.9-13.4-18071.90000114.4E10C8-E10 WeakPolarHBondContact O-CG 3.23Å; C8-E10 PolarHBondContact O-N 3.26Å
9S94.5Very high93.2Very high85 Ų8582.3 Ų82.359%0.59444%0.437SS*.SBendtrans57.5-0.4-177.6-57.70000116.7C5C5-S9 WeakPolarHBondContact O-CA 3.27Å; C5-S9 PolarHBondContact O-N 2.85Å
10E93.2Very high93.2Very high159 Ų15981.2 Ų81.274%0.74343%0.433SS*.SBendtrans-100-45.8-176.9-69.9170.3-175.500113C8C8-E10 WeakPolarHBondContact O-CG 3.23Å; C8-E10 PolarHBondContact O-N 3.26Å
11K95.8Very high93.1Very high114 Ų11478.8 Ų78.850%0.49643%0.428SS..SBendtrans-93.3150.2-172.6-65.8177.3-175.5172.90110.6C5 A13 C25C5-K11 WeakPolarHBondContact CB-O 3.25Å; C5-K11 PolarHBondContact N-O 3.19Å; K11-A13 PolarHBondContact O-N 3.14Å; K11-C25 HydrophobicContact CB-CB 3.76Å
12R96.1Very high94.2Very high177 Ų17772.9 Ų72.967%0.66840%0.397SS*.BIsolated β-bridgetrans-62.4136.2171.3-65.8-177.3-179.5176.61.1110.3P2 C25P2-R12 HydrophobicContact CB-CG 4.33Å; R12-C25 WeakPolarHBondContact O-CB 3.22Å
13A96.8Very high94.9Very high26 Ų2670.5 Ų70.522%0.21538%0.382CS..PPolyproline II helixtrans-68.3140.9170.900000109.9V3 K11 L24V3-A13 HydrophobicContact CG1-CB 4.44Å; V3-A13 WeakPolarHBondContact O-CB 3.33Å; V3-A13 PolarHBondContact O-N 2.85Å; K11-A13 PolarHBondContact O-N 3.14Å; A13-L24 WeakPolarHBondContact CA-O 3.06Å
14V96.3Very high95.1Very high77 Ų7766.4 Ų66.447%0.46736%0.358SS..  trans-116.8-13.3178.8-57.50000112.5L24 K26 F224V14-L24 PolarHBondContact N-O 3.14Å; V14-K26 HydrophobicContact CG2-CG 3.61Å; V14-F224 HydrophobicContact CG2-CZ 4.33Å
15L95.9Very high95.1Very high19 Ų1962.3 Ų62.310%0.09934%0.336CS..EExtended strand (participates in β ladder)trans-148156.117868.598000109.8R17 S23 L24 F29 F224L15-R17 HydrophobicContact CD1-CG 3.78Å; L15-S23 CarbonylContact O-C 3.54Å; L15-S23 WeakPolarHBondContact O-CA 3.15Å; L15-L24 PolarHBondContact N-O 3.23Å; L15-L24 PolarHBondContact O-N 3.48Å; L15-F29 HydrophobicContact CD1-CB 4.48Å; L15-F29 HydrophobicContact CD1-CD2 3.99Å; L15-F29 HydrophobicContact CD1-CE2 4.49Å; L15-F29 HydrophobicContact CD1-CG 4.2Å; L15-F29 HydrophobicContact CD2-CB 3.71Å; L15-F29 HydrophobicContact CD2-CD1 3.58Å; L15-F29 HydrophobicContact CD2-CD2 4.1Å; L15-F29 HydrophobicContact CD2-CE1 4.21Å; L15-F29 HydrophobicContact CD2-CG 3.51Å; L15-F29 HydrophobicContact CG-CG 4.46Å; L15-F224 HydrophobicContact CB-CE2 4.32Å; L15-F224 HydrophobicContact CD2-CD2 4.03Å; L15-F224 HydrophobicContact CD2-CE2 3.39Å; L15-F224 HydrophobicContact CD2-CZ 4.24Å; L15-F224 HydrophobicContact CG-CE2 4.48Å
16K95.4Very high95.1Very high144 Ų14466.8 Ų66.863%0.62636%0.356SS*.EExtended strand (participates in β ladder)trans-107.3122164.7-171.3179.3-178.6179.90107.4P18 G21 H22K16-P18 WeakPolarHBondContact O-CD 3.1Å; K16-G21 WeakPolarHBondContact CE-O 3.45Å; K16-G21 VanDerWaalsContact CG-O 3.24Å; K16-G21 WeakPolarHBondContact CG-O 3.45Å; K16-H22 CarbonylContact C-O 3.45Å; K16-H22 WeakPolarHBondContact CA-O 3.31Å
17R94.4Very high95.1Very high9 Ų966.1 Ų66.13%0.03436%0.355CS..  trans-61.8122.9-177.1-76.3-165.968.9-171.41.1110L15 K19 T20 G21 H22 L24 F29 E36 E217L15-R17 HydrophobicContact CD1-CG 3.78Å; R17-K19 PolarHBondContact O-N 3.27Å; R17-T20 WeakPolarHBondContact CB-OG1 3.45Å; R17-G21 VanDerWaalsContact O-CA 3.26Å; R17-G21 WeakPolarHBondContact O-CA 3.38Å; R17-G21 PolarHBondContact O-N 3.29Å; R17-H22 PolarHBondContact N-O 2.72Å; R17-L24 VanDerWaalsContact CD-CD1 3.44Å; R17-L24 HydrophobicContact CG-CD1 3.88Å; R17-L24 HydrophobicContact CG-CG 4.3Å; R17-F29 HydrophobicContact CG-CD2 4.23Å; R17-E36 IonicContact CZ-OE1 3.04Å; R17-E36 IonicContact NH1-OE1 2.75Å; R17-E36 PolarHBondContact NH1-OE1 3.49Å; R17-E36 VanDerWaalsContact NH2-CD 3.27Å; R17-E36 IonicContact NH2-OE1 3.79Å; R17-E36 PolarHBondContact NH2-OE1 3.39Å; R17-E36 IonicContact NH2-OE2 3.89Å; R17-E36 PolarHBondContact NH2-OE2 3.39Å; R17-E217 WeakPolarHBondContact CB-OE1 3.38Å; R17-E217 IonicContact CZ-OE1 3.47Å; R17-E217 IonicContact CZ-OE2 2.67Å; R17-E217 IonicContact NE-OE1 3.83Å; R17-E217 PolarHBondContact NE-OE1 3.13Å; R17-E217 IonicContact NE-OE2 3.03Å; R17-E217 IonicContact NH2-OE1 3.19Å; R17-E217 PolarHBondContact NH2-OE1 2.95Å; R17-E217 IonicContact NH2-OE2 3.64Å; R17-E217 PolarHBondContact NH2-OE2 3Å
18P92.1Very high95.2Very high28 Ų2863.3 Ų63.318%0.18233%0.334CS..THydrogen-bonded Turntrans-55.8-37.8176.7-26.734.1000113.3K16 Y214 K216 E217 L220 P257K16-P18 WeakPolarHBondContact O-CD 3.1Å; P18-Y214 HydrophobicContact CB-CD2 4.34Å; P18-K216 HydrophobicContact CB-CB 4.11Å; P18-K216 HydrophobicContact CB-CD 4.16Å; P18-K216 HydrophobicContact CG-CB 3.66Å; P18-K216 HydrophobicContact CG-CD 4.24Å; P18-E217 HydrophobicContact CG-CG 4.11Å; P18-L220 HydrophobicContact CG-CD1 4.35Å; P18-P257 WeakPolarHBondContact O-CB 3.49Å
19K89Confident95.3Very high51 Ų5161.5 Ų61.522%0.22232%0.322CS..THydrogen-bonded Turntrans-72.6-42.1-175.7-178.7175.4176.4-179.70113.7R17 E36 Y212 Y214R17-K19 PolarHBondContact O-N 3.27Å; K19-E36 IonicContact NZ-OE2 2.8Å; K19-E36 PolarHBondContact NZ-OE2 2.83Å; K19-Y212 PolarHBondContact NZ-O 3.1Å; K19-Y214 HydrophobicContact CB-CD1 3.97Å; K19-Y214 HydrophobicContact CB-CD2 4.35Å; K19-Y214 HydrophobicContact CB-CE1 3.98Å; K19-Y214 HydrophobicContact CB-CE2 4.36Å; K19-Y214 HydrophobicContact CB-CG 4.17Å; K19-Y214 HydrophobicContact CD-CD1 3.97Å; K19-Y214 HydrophobicContact CD-CE1 3.96Å; K19-Y214 HydrophobicContact CG-CD1 3.98Å; K19-Y214 HydrophobicContact CG-CE1 3.65Å
20T91.6Very high95.5Very high59 Ų5959.1 Ų59.136%0.36230%0.301SS..THydrogen-bonded Turntrans-118.3-13.9-169.660.90000114.2R17 H22R17-T20 WeakPolarHBondContact CB-OG1 3.45Å; T20-H22 PolarHBondContact O-N 3.49Å; T20-H22 PolarHBondContact OG1-N 3.39Å
21G92.4Very high95.8Very high31 Ų3158.7 Ų58.732%0.3229%0.293SS..  trans74.72.4-173.400000114.7K16 R17K16-G21 WeakPolarHBondContact CE-O 3.45Å; K16-G21 VanDerWaalsContact CG-O 3.24Å; K16-G21 WeakPolarHBondContact CG-O 3.45Å; R17-G21 VanDerWaalsContact O-CA 3.26Å; R17-G21 WeakPolarHBondContact O-CA 3.38Å; R17-G21 PolarHBondContact O-N 3.29Å
22H94.6Very high95.9Very high103 Ų10354 Ų5448%0.47728%0.275SS..  trans-68.5132.2178.4-67.3172.1000111.9K16 R17 T20 L24K16-H22 CarbonylContact C-O 3.45Å; K16-H22 WeakPolarHBondContact CA-O 3.31Å; R17-H22 PolarHBondContact N-O 2.72Å; T20-H22 PolarHBondContact O-N 3.49Å; T20-H22 PolarHBondContact OG1-N 3.39Å; H22-L24 HydrophobicContact CB-CD2 4.36Å; H22-L24 HydrophobicContact CB-CG 4.33Å
23S97.3Very high96Very high30 Ų3045.7 Ų45.721%0.2124%0.244CC..EExtended strand (participates in β ladder)trans-85111.8175.5-63.60000109.9C5 S6 L15C5-S23 CarbonylContact C-O 3.53Å; C5-S23 WeakPolarHBondContact CA-O 3.31Å; S6-S23 PolarHBondContact N-O 2.93Å; S6-S23 PolarHBondContact OG-O 3.24Å; L15-S23 CarbonylContact O-C 3.54Å; L15-S23 WeakPolarHBondContact O-CA 3.15Å
24L97.8Very high96.1Very high5 Ų544.7 Ų44.73%0.02624%0.235CC..EExtended strand (participates in β ladder)trans-121.3149.3-172.8-62.4-173.8000113.5A13 V14 L15 R17 H22 C28 F29 A32A13-L24 WeakPolarHBondContact CA-O 3.06Å; V14-L24 PolarHBondContact N-O 3.14Å; L15-L24 PolarHBondContact N-O 3.23Å; L15-L24 PolarHBondContact O-N 3.48Å; R17-L24 VanDerWaalsContact CD-CD1 3.44Å; R17-L24 HydrophobicContact CG-CD1 3.88Å; R17-L24 HydrophobicContact CG-CG 4.3Å; H22-L24 HydrophobicContact CB-CD2 4.36Å; H22-L24 HydrophobicContact CB-CG 4.33Å; L24-C28 HydrophobicContact CB-CB 4.44Å; L24-C28 HydrophobicContact CD2-CB 4.29Å; L24-F29 HydrophobicContact CB-CB 4.2Å; L24-F29 HydrophobicContact CD1-CB 4.26Å; L24-A32 HydrophobicContact CD1-CB 4.46Å
25C97.7Very high96.2Very high6 Ų642.8 Ų42.84%0.04122%0.221CC..  trans-75.6165.3161.980.40000110.3C5 K11 R12 A27 C28 F29C5-C25 HydrophobicContact CB-CB 4.02Å; C5-C25 PolarHBondContact SG-N 2.9Å; K11-C25 HydrophobicContact CB-CB 3.76Å; R12-C25 WeakPolarHBondContact O-CB 3.22Å; C25-A27 PolarHBondContact O-N 3.3Å; C25-C28 PolarHBondContact O-N 2.68Å; C25-F29 WeakPolarHBondContact O-CB 3.44Å; C25-F29 PolarHBondContact O-N 3.37Å
26K97.1Very high96.3Very high96 Ų9644.5 Ų44.542%0.41723%0.228SC..Hα-helixtrans-56-46.8-177.5-64.9-171.1-178.6-178.70113V14 F29 F30 F224V14-K26 HydrophobicContact CG2-CG 3.61Å; K26-F29 PolarHBondContact O-N 3.45Å; K26-F30 HydrophobicContact CB-CE2 4.19Å; K26-F30 HydrophobicContact CB-CZ 4.32Å; K26-F30 WeakPolarHBondContact O-CD2 3.47Å; K26-F30 WeakPolarHBondContact O-CG 3.49Å; K26-F30 PolarHBondContact O-N 2.79Å; K26-F224 HydrophobicContact CD-CB 4.48Å; K26-F224 HydrophobicContact CD-CD1 4.07Å; K26-F224 HydrophobicContact CD-CG 4.34Å; K26-F224 VanDerWaalsContact CE-CD1 3.46Å; K26-F224 HydrophobicContact CG-CD1 4.46Å; K26-F224 HydrophobicContact CG-CG 4.47Å
27A97.9Very high96.4Very high54 Ų5437.8 Ų37.845%0.44620%0.199SC..Hα-helixtrans-63.2-47-176.600000112C25 F29 F30 W31C25-A27 PolarHBondContact O-N 3.3Å; A27-F29 VanDerWaalsContact C-N 3.32Å; A27-F29 PolarHBondContact O-N 3.02Å; A27-F30 PolarHBondContact O-N 2.85Å; A27-W31 PolarHBondContact O-N 3.43Å
28C98.1Very high96.6Very high18 Ų1838.4 Ų38.412%0.12220%0.203CC..Hα-helixtrans-64.7-36.3176.7-64.70000112.1C5 L24 C25 A32C5-C28 VanDerWaalsContact SG-SG 3.67Å; L24-C28 HydrophobicContact CB-CB 4.44Å; L24-C28 HydrophobicContact CD2-CB 4.29Å; C25-C28 PolarHBondContact O-N 2.68Å; C28-A32 VanDerWaalsContact O-CB 3.24Å; C28-A32 WeakPolarHBondContact O-CB 3.4Å; C28-A32 PolarHBondContact O-N 2.84Å
29F98.3Very high96.9Very high0 Ų041.6 Ų41.60%022%0.215CC..Hα-helixtrans-65.5-45.6174.8169.2-114.9000112.3L15 R17 L24 C25 K26 A27 W31 A32 F33 E217 L220 Y221 F224L15-F29 HydrophobicContact CD1-CB 4.48Å; L15-F29 HydrophobicContact CD1-CD2 3.99Å; L15-F29 HydrophobicContact CD1-CE2 4.49Å; L15-F29 HydrophobicContact CD1-CG 4.2Å; L15-F29 HydrophobicContact CD2-CB 3.71Å; L15-F29 HydrophobicContact CD2-CD1 3.58Å; L15-F29 HydrophobicContact CD2-CD2 4.1Å; L15-F29 HydrophobicContact CD2-CE1 4.21Å; L15-F29 HydrophobicContact CD2-CG 3.51Å; L15-F29 HydrophobicContact CG-CG 4.46Å; R17-F29 HydrophobicContact CG-CD2 4.23Å; L24-F29 HydrophobicContact CB-CB 4.2Å; L24-F29 HydrophobicContact CD1-CB 4.26Å; C25-F29 WeakPolarHBondContact O-CB 3.44Å; C25-F29 PolarHBondContact O-N 3.37Å; K26-F29 PolarHBondContact O-N 3.45Å; A27-F29 VanDerWaalsContact C-N 3.32Å; A27-F29 PolarHBondContact O-N 3.02Å; F29-W31 PolarHBondContact O-N 2.82Å; F29-A32 PolarHBondContact O-N 2.94Å; F29-F33 HydrophobicContact CE2-CB 4.28Å; F29-F33 HydrophobicContact CE2-CD2 4.48Å; F29-F33 HydrophobicContact CZ-CD2 4.46Å; F29-F33 VanDerWaalsContact O-CB 3.29Å; F29-F33 WeakPolarHBondContact O-CB 3.39Å; F29-F33 PolarHBondContact O-N 3.45Å; F29-E217 HydrophobicContact CE2-CB 4.29Å; F29-E217 HydrophobicContact CE2-CG 4.28Å; F29-E217 HydrophobicContact CZ-CB 4.32Å; F29-L220 HydrophobicContact CE1-CB 4.12Å; F29-L220 HydrophobicContact CZ-CB 4.05Å; F29-Y221 HydrophobicContact CE1-CD2 4.23Å; F29-F224 HydrophobicContact CD1-CD2 4.25Å; F29-F224 HydrophobicContact CE1-CD2 4.25Å
30F98.4Very high97.3Very high35 Ų3540 Ų4015%0.15421%0.21CC..Hα-helixtrans-58.4-50.1176.9-63.9-27.2000111.5K26 A27 A32 F33 E34 Y221 F224 K225K26-F30 HydrophobicContact CB-CE2 4.19Å; K26-F30 HydrophobicContact CB-CZ 4.32Å; K26-F30 WeakPolarHBondContact O-CD2 3.47Å; K26-F30 WeakPolarHBondContact O-CG 3.49Å; K26-F30 PolarHBondContact O-N 2.79Å; A27-F30 PolarHBondContact O-N 2.85Å; F30-A32 PolarHBondContact O-N 3.11Å; F30-F33 PolarHBondContact O-N 3.38Å; F30-E34 VanDerWaalsContact O-CB 3.27Å; F30-E34 WeakPolarHBondContact O-CB 3.16Å; F30-E34 WeakPolarHBondContact O-CG 3.47Å; F30-E34 PolarHBondContact O-N 3.03Å; F30-Y221 HydrophobicContact CB-CE2 4.35Å; F30-Y221 AromaticContact CD1-CD2 3.85Å; F30-Y221 HydrophobicContact CD1-CD2 3.85Å; F30-Y221 AromaticContact CD1-CE2 3.83Å; F30-Y221 HydrophobicContact CD1-CE2 3.83Å; F30-Y221 HydrophobicContact CE1-CD2 4.4Å; F30-Y221 HydrophobicContact CG-CE2 4.42Å; F30-F224 HydrophobicContact CE1-CB 3.62Å; F30-F224 HydrophobicContact CZ-CB 3.6Å; F30-K225 HydrophobicContact CD1-CD 4.41Å; F30-K225 HydrophobicContact CD1-CG 4.36Å; F30-K225 HydrophobicContact CD2-CD 4.4Å; F30-K225 HydrophobicContact CE1-CD 4.07Å; F30-K225 HydrophobicContact CE1-CG 3.79Å; F30-K225 HydrophobicContact CE2-CD 4.05Å; F30-K225 VanDerWaalsContact CG-CE 3.45Å; F30-K225 HydrophobicContact CZ-CD 3.86Å; F30-K225 HydrophobicContact CZ-CG 3.92Å
31W98.1Very high97.6Very high151 Ų15137.5 Ų37.557%0.57219%0.194SC*.Hα-helixtrans-59.4-48.9178.3-175.487.5000111.2A27 F29 F33 E34 E35A27-W31 PolarHBondContact O-N 3.43Å; F29-W31 PolarHBondContact O-N 2.82Å; W31-F33 PolarHBondContact O-N 2.85Å; W31-E34 PolarHBondContact O-N 3.5Å; W31-E35 HydrophobicContact CD2-CB 4.46Å; W31-E35 HydrophobicContact CE3-CB 4.45Å; W31-E35 HydrophobicContact CH2-CB 4.37Å; W31-E35 HydrophobicContact CH2-CG 3.94Å; W31-E35 HydrophobicContact CZ2-CB 4.38Å; W31-E35 HydrophobicContact CZ2-CG 4.04Å; W31-E35 HydrophobicContact CZ3-CB 4.4Å; W31-E35 HydrophobicContact CZ3-CG 4.37Å; W31-E35 WeakPolarHBondContact O-CB 3.43Å; W31-E35 PolarHBondContact O-N 3.21Å
32A98.1Very high97.9Very high15 Ų1539.4 Ų39.412%0.12420%0.2CC..Hα-helixtrans-62.6-42.2-179.400000112.8L24 C28 F29 F30 E36L24-A32 HydrophobicContact CD1-CB 4.46Å; C28-A32 VanDerWaalsContact O-CB 3.24Å; C28-A32 WeakPolarHBondContact O-CB 3.4Å; C28-A32 PolarHBondContact O-N 2.84Å; F29-A32 PolarHBondContact O-N 2.94Å; F30-A32 PolarHBondContact O-N 3.11Å; A32-E36 WeakPolarHBondContact O-CB 3.42Å; A32-E36 VanDerWaalsContact O-CG 3.31Å; A32-E36 WeakPolarHBondContact O-CG 3.41Å; A32-E36 PolarHBondContact O-N 2.88Å
33F98.5Very high98Very high2 Ų238.5 Ų38.51%0.00921%0.209CC..Hα-helixtrans-65.5-48178.1-178.7-91.3000111.6F29 F30 W31 E36 V37 V65 V69 L210 A213 E217 I218 Y221F29-F33 HydrophobicContact CE2-CB 4.28Å; F29-F33 HydrophobicContact CE2-CD2 4.48Å; F29-F33 HydrophobicContact CZ-CD2 4.46Å; F29-F33 VanDerWaalsContact O-CB 3.29Å; F29-F33 WeakPolarHBondContact O-CB 3.39Å; F29-F33 PolarHBondContact O-N 3.45Å; F30-F33 PolarHBondContact O-N 3.38Å; W31-F33 PolarHBondContact O-N 2.85Å; F33-E36 PolarHBondContact O-N 3.08Å; F33-V37 HydrophobicContact CE1-CG2 4.37Å; F33-V37 WeakPolarHBondContact O-CG2 3.18Å; F33-V37 PolarHBondContact O-N 3.16Å; F33-V65 HydrophobicContact CE1-CG1 3.94Å; F33-V65 HydrophobicContact CZ-CG1 4.1Å; F33-V69 HydrophobicContact CE1-CG2 4.13Å; F33-L210 HydrophobicContact CZ-CD2 4.47Å; F33-A213 HydrophobicContact CE2-CB 3.92Å; F33-A213 HydrophobicContact CZ-CB 4.21Å; F33-E217 HydrophobicContact CD2-CB 3.97Å; F33-E217 HydrophobicContact CE2-CB 3.89Å; F33-I218 HydrophobicContact CE2-CG1 4.15Å; F33-I218 HydrophobicContact CZ-CG1 3.87Å; F33-Y221 HydrophobicContact CB-CD2 4.09Å; F33-Y221 HydrophobicContact CB-CE2 4.44Å; F33-Y221 HydrophobicContact CD1-CD1 4.43Å; F33-Y221 AromaticContact CD1-CD2 3.36Å; F33-Y221 HydrophobicContact CD1-CD2 3.36Å; F33-Y221 AromaticContact CD1-CE2 3.64Å; F33-Y221 HydrophobicContact CD1-CE2 3.64Å; F33-Y221 AromaticContact CD1-CG 3.81Å; F33-Y221 HydrophobicContact CD1-CG 3.81Å; F33-Y221 HydrophobicContact CE1-CD1 4.22Å; F33-Y221 AromaticContact CE1-CD2 3.94Å; F33-Y221 HydrophobicContact CE1-CD2 3.94Å; F33-Y221 HydrophobicContact CE1-CE2 4.32Å; F33-Y221 AromaticContact CE1-CG 3.89Å; F33-Y221 HydrophobicContact CE1-CG 3.89Å; F33-Y221 AromaticContact CG-CD2 3.82Å; F33-Y221 HydrophobicContact CG-CD2 3.82Å; F33-Y221 HydrophobicContact CG-CE2 4.34Å; F33-Y221 HydrophobicContact CG-CG 4.39Å
34E98.6Very high97.9Very high5 Ų538.9 Ų38.92%0.02321%0.214CC..Hα-helixtrans-64.4-41.6179.3-67.4159.4-168.200111.4F30 W31 V37 H38 L72 L73 R76 Y221 K225F30-E34 VanDerWaalsContact O-CB 3.27Å; F30-E34 WeakPolarHBondContact O-CB 3.16Å; F30-E34 WeakPolarHBondContact O-CG 3.47Å; F30-E34 PolarHBondContact O-N 3.03Å; W31-E34 PolarHBondContact O-N 3.5Å; E34-V37 PolarHBondContact O-N 3.31Å; E34-H38 PolarHBondContact O-N 2.97Å; E34-L72 HydrophobicContact CG-CD2 3.93Å; E34-L72 WeakPolarHBondContact OE1-CD2 3.45Å; E34-L72 WeakPolarHBondContact OE2-CD2 3.47Å; E34-L73 HydrophobicContact CB-CD2 4.37Å; E34-R76 IonicContact OE2-CZ 3.81Å; E34-R76 IonicContact OE2-NH1 2.81Å; E34-R76 PolarHBondContact OE2-NH1 3.41Å; E34-R76 IonicContact OE2-NH2 2.73Å; E34-R76 PolarHBondContact OE2-NH2 3.27Å; E34-Y221 HydrophobicContact CG-CE2 3.87Å; E34-Y221 WeakPolarHBondContact CG-OH 3.48Å; E34-Y221 WeakPolarHBondContact OE1-CE2 3.37Å; E34-Y221 PolarHBondContact OE1-OH 3.07Å; E34-K225 IonicContact OE1-NZ 2.67Å; E34-K225 PolarHBondContact OE1-NZ 3.12Å
35E98.1Very high97.8Very high37 Ų3747.1 Ų47.117%0.17325%0.25CS..Hα-helixtrans-66.1-41.7177.8-173.958.9-149.200111.8W31 V37 H38 Q39W31-E35 HydrophobicContact CD2-CB 4.46Å; W31-E35 HydrophobicContact CE3-CB 4.45Å; W31-E35 HydrophobicContact CH2-CB 4.37Å; W31-E35 HydrophobicContact CH2-CG 3.94Å; W31-E35 HydrophobicContact CZ2-CB 4.38Å; W31-E35 HydrophobicContact CZ2-CG 4.04Å; W31-E35 HydrophobicContact CZ3-CB 4.4Å; W31-E35 HydrophobicContact CZ3-CG 4.37Å; W31-E35 WeakPolarHBondContact O-CB 3.43Å; W31-E35 PolarHBondContact O-N 3.21Å; E35-V37 VanDerWaalsContact C-N 3.28Å; E35-V37 PolarHBondContact O-N 2.94Å; E35-H38 WeakPolarHBondContact O-CB 3.4Å; E35-H38 PolarHBondContact O-N 2.78Å; E35-H38 VanDerWaalsContact O-N 3.16Å; E35-H38 IonicContact OE1-CD2 2.93Å; E35-Q39 HydrophobicContact CG-CG 4.44Å; E35-Q39 VanDerWaalsContact O-CG 3.3Å; E35-Q39 WeakPolarHBondContact O-CG 3.39Å; E35-Q39 PolarHBondContact O-N 3.44Å; E35-Q39 PolarHBondContact OE1-NE2 2.88Å
36E98.1Very high97.7Very high55 Ų5547 Ų4726%0.25725%0.249SC..Hα-helixtrans-61.9-36.2175.2-79177.4-152.200112.5R17 K19 A32 F33 T40R17-E36 IonicContact CZ-OE1 3.04Å; R17-E36 IonicContact NH1-OE1 2.75Å; R17-E36 PolarHBondContact NH1-OE1 3.49Å; R17-E36 VanDerWaalsContact NH2-CD 3.27Å; R17-E36 IonicContact NH2-OE1 3.79Å; R17-E36 PolarHBondContact NH2-OE1 3.39Å; R17-E36 IonicContact NH2-OE2 3.89Å; R17-E36 PolarHBondContact NH2-OE2 3.39Å; K19-E36 IonicContact NZ-OE2 2.8Å; K19-E36 PolarHBondContact NZ-OE2 2.83Å; A32-E36 WeakPolarHBondContact O-CB 3.42Å; A32-E36 VanDerWaalsContact O-CG 3.31Å; A32-E36 WeakPolarHBondContact O-CG 3.41Å; A32-E36 PolarHBondContact O-N 2.88Å; F33-E36 PolarHBondContact O-N 3.08Å; E36-T40 WeakPolarHBondContact O-CB 3.35Å; E36-T40 PolarHBondContact O-N 3.41Å; E36-T40 PolarHBondContact O-OG1 3.44Å
37V98.6Very high97.6Very high3 Ų343.8 Ų43.82%0.01824%0.235CC..Hα-helixtrans-69.1-43.3173.2176.90000110.7F33 E34 E35 Q39 T40 I41 V69 L73 P209 L210F33-V37 HydrophobicContact CE1-CG2 4.37Å; F33-V37 WeakPolarHBondContact O-CG2 3.18Å; F33-V37 PolarHBondContact O-N 3.16Å; E34-V37 PolarHBondContact O-N 3.31Å; E35-V37 VanDerWaalsContact C-N 3.28Å; E35-V37 PolarHBondContact O-N 2.94Å; V37-Q39 PolarHBondContact O-N 2.99Å; V37-T40 WeakPolarHBondContact O-CB 3.3Å; V37-T40 PolarHBondContact O-N 3.35Å; V37-I41 HydrophobicContact CG1-CD1 4.03Å; V37-I41 WeakPolarHBondContact O-CG1 3.18Å; V37-I41 PolarHBondContact O-N 2.85Å; V37-V69 HydrophobicContact CB-CG1 4.07Å; V37-V69 HydrophobicContact CG1-CG1 3.75Å; V37-V69 HydrophobicContact CG2-CG1 4.43Å; V37-L73 HydrophobicContact CB-CD1 4.25Å; V37-L73 HydrophobicContact CG1-CD1 3.96Å; V37-P209 HydrophobicContact CG1-CB 4.2Å; V37-L210 HydrophobicContact CG1-CD2 4.3Å; V37-L210 HydrophobicContact CG2-CD2 3.72Å
38H98.6Very high97.5Very high22 Ų2250 Ų5010%0.10225%0.247CC..Hα-helixtrans-55.7-49.6173.9174.177.8000111.7E34 E35 T40 I41 V42 L73 H77 Y79E34-H38 PolarHBondContact O-N 2.97Å; E35-H38 WeakPolarHBondContact O-CB 3.4Å; E35-H38 PolarHBondContact O-N 2.78Å; E35-H38 VanDerWaalsContact O-N 3.16Å; E35-H38 IonicContact OE1-CD2 2.93Å; H38-T40 VanDerWaalsContact C-N 3.3Å; H38-T40 PolarHBondContact O-N 3.4Å; H38-I41 WeakPolarHBondContact O-CB 3.19Å; H38-I41 PolarHBondContact O-N 3.3Å; H38-I41 VanDerWaalsContact O-N 3.11Å; H38-V42 WeakPolarHBondContact O-CG2 3.46Å; H38-V42 PolarHBondContact O-N 3.28Å; H38-L73 HydrophobicContact CB-CD1 4.02Å; H38-L73 HydrophobicContact CB-CD2 4.08Å; H38-H77 AromaticContact CD2-CE1 3.93Å; H38-H77 AromaticContact CE1-CD2 3.75Å; H38-H77 AromaticContact CE1-CE1 3.58Å; H38-H77 AromaticContact CE1-CG 3.38Å; H38-H77 AromaticContact CE1-ND1 3.29Å; H38-H77 PolarHBondContact CE1-ND1 3.2Å; H38-H77 VanDerWaalsContact CE1-ND1 3.29Å; H38-H77 AromaticContact CE1-NE2 3.89Å; H38-H77 AromaticContact CG-CE1 3.88Å; H38-H77 AromaticContact CG-NE2 3.73Å; H38-H77 AromaticContact ND1-CD2 3.35Å; H38-H77 PolarHBondContact ND1-CD2 3.06Å; H38-H77 VanDerWaalsContact ND1-CD2 3.35Å; H38-H77 AromaticContact ND1-CE1 3.64Å; H38-H77 AromaticContact ND1-CG 3.48Å; H38-H77 AromaticContact ND1-ND1 3.67Å; H38-H77 AromaticContact ND1-NE2 3.47Å; H38-H77 PolarHBondContact ND1-NE2 3.3Å; H38-H77 AromaticContact NE2-CE1 3.78Å; H38-H77 AromaticContact NE2-ND1 3.74Å; H38-Y79 AromaticContact CE1-CE1 3.77Å; H38-Y79 AromaticContact ND1-CE1 3.73Å; H38-Y79 AromaticContact ND1-CZ 3.52Å; H38-Y79 PolarHBondContact ND1-OH 3.03Å
39Q98.3Very high97.4Very high96 Ų9654.3 Ų54.345%0.44928%0.275SS..Hα-helixtrans-62.3-38.1178.1-67.9-57.3-31.300111.8E35 V37 I41 V42 A43E35-Q39 HydrophobicContact CG-CG 4.44Å; E35-Q39 VanDerWaalsContact O-CG 3.3Å; E35-Q39 WeakPolarHBondContact O-CG 3.39Å; E35-Q39 PolarHBondContact O-N 3.44Å; E35-Q39 PolarHBondContact OE1-NE2 2.88Å; V37-Q39 PolarHBondContact O-N 2.99Å; Q39-I41 VanDerWaalsContact C-N 3.34Å; Q39-I41 PolarHBondContact O-N 2.86Å; Q39-V42 PolarHBondContact O-N 3.5Å; Q39-A43 WeakPolarHBondContact O-CB 3.34Å; Q39-A43 PolarHBondContact O-N 3.43Å
40T97.9Very high97.3Very high18 Ų1857 Ų5711%0.1130%0.302CS..Hα-helixtrans-60-43.9173.4-60.80000111.5E36 V37 H38 A44 I194 Y212E36-T40 WeakPolarHBondContact O-CB 3.35Å; E36-T40 PolarHBondContact O-N 3.41Å; E36-T40 PolarHBondContact O-OG1 3.44Å; V37-T40 WeakPolarHBondContact O-CB 3.3Å; V37-T40 PolarHBondContact O-N 3.35Å; H38-T40 VanDerWaalsContact C-N 3.3Å; H38-T40 PolarHBondContact O-N 3.4Å; T40-A44 WeakPolarHBondContact O-CB 3.39Å; T40-A44 PolarHBondContact O-N 3.43Å; T40-I194 HydrophobicContact CG2-CD1 3.53Å; T40-Y212 HydrophobicContact CG2-CD2 3.83Å; T40-Y212 HydrophobicContact CG2-CE2 4.22Å
41I97.9Very high97.2Very high6 Ų656.5 Ų56.53%0.03130%0.3CS..Hα-helixtrans-64.5-48.6178.5-69.4165.9000111.3V37 H38 Q39 K45 L46 F47 M70 L73 Y79 P209V37-I41 HydrophobicContact CG1-CD1 4.03Å; V37-I41 WeakPolarHBondContact O-CG1 3.18Å; V37-I41 PolarHBondContact O-N 2.85Å; H38-I41 WeakPolarHBondContact O-CB 3.19Å; H38-I41 PolarHBondContact O-N 3.3Å; H38-I41 VanDerWaalsContact O-N 3.11Å; Q39-I41 VanDerWaalsContact C-N 3.34Å; Q39-I41 PolarHBondContact O-N 2.86Å; I41-K45 PolarHBondContact O-N 3.46Å; I41-K45 VanDerWaalsContact O-N 3.14Å; I41-L46 HydrophobicContact CB-CD1 4.5Å; I41-L46 HydrophobicContact CG1-CD1 4.15Å; I41-L46 HydrophobicContact CG2-CB 4.34Å; I41-L46 PolarHBondContact O-N 3.23Å; I41-F47 HydrophobicContact CD1-CE2 4.29Å; I41-F47 HydrophobicContact CG1-CE2 4.1Å; I41-F47 HydrophobicContact CG2-CD2 3.53Å; I41-F47 HydrophobicContact CG2-CE2 3.68Å; I41-M70 HydrophobicContact CD1-SD 3.9Å; I41-L73 HydrophobicContact CD1-CD1 4.05Å; I41-Y79 HydrophobicContact CD1-CE2 4.11Å; I41-Y79 HydrophobicContact CG2-CE2 4.18Å; I41-P209 HydrophobicContact CD1-CB 4.2Å; I41-P209 HydrophobicContact CG1-CB 4.05Å
42V97.6Very high97.2Very high71 Ų7150.5 Ų50.543%0.4328%0.28SS..Hα-helixtrans-71.7-47.3-174.9173.70000111.6H38 Q39 A44 K45H38-V42 WeakPolarHBondContact O-CG2 3.46Å; H38-V42 PolarHBondContact O-N 3.28Å; Q39-V42 PolarHBondContact O-N 3.5Å; V42-A44 PolarHBondContact O-N 3.09Å; V42-K45 PolarHBondContact O-N 3.21Å
43A96.9Very high97.2Very high83 Ų8349.8 Ų49.869%0.68628%0.275SS*.Hα-helixtrans-60.6-36.6-179.600000112Q39 K45Q39-A43 WeakPolarHBondContact O-CB 3.34Å; Q39-A43 PolarHBondContact O-N 3.43Å; A43-K45 VanDerWaalsContact C-N 3.35Å
44A95.2Very high97.1Very high38 Ų3849.7 Ų49.731%0.31427%0.274SS..THydrogen-bonded Turntrans-87.4-0.5177.100000114.3T40 V42 L46 I194T40-A44 WeakPolarHBondContact O-CB 3.39Å; T40-A44 PolarHBondContact O-N 3.43Å; V42-A44 PolarHBondContact O-N 3.09Å; A44-L46 HydrophobicContact CB-CD2 3.63Å; A44-L46 HydrophobicContact CB-CG 3.91Å; A44-L46 PolarHBondContact O-N 3.43Å; A44-I194 HydrophobicContact CB-CD1 3.66Å; A44-I194 HydrophobicContact CB-CG1 4.44Å; A44-I194 HydrophobicContact CB-CG2 3.85Å
45K95.8Very high97.1Very high178 Ų17849.4 Ų49.477%0.77427%0.273SS*.THydrogen-bonded Turntrans48.247-177.5-58.3179.2-178.6178.50111.9I41 V42 A43 F47I41-K45 PolarHBondContact O-N 3.46Å; I41-K45 VanDerWaalsContact O-N 3.14Å; V42-K45 PolarHBondContact O-N 3.21Å; A43-K45 VanDerWaalsContact C-N 3.35Å; K45-F47 VanDerWaalsContact C-N 3.28Å; K45-F47 PolarHBondContact O-N 3.14Å
46L95Very high97.1Very high4 Ų448.3 Ų48.32%0.02127%0.27CS..  trans-64.8-31.2-169.3-66.8-172.4000113.5I41 A44 K162 I194 C207 P209I41-L46 HydrophobicContact CB-CD1 4.5Å; I41-L46 HydrophobicContact CG1-CD1 4.15Å; I41-L46 HydrophobicContact CG2-CB 4.34Å; I41-L46 PolarHBondContact O-N 3.23Å; A44-L46 HydrophobicContact CB-CD2 3.63Å; A44-L46 HydrophobicContact CB-CG 3.91Å; A44-L46 PolarHBondContact O-N 3.43Å; L46-K162 VanDerWaalsContact O-CD 3.23Å; L46-K162 WeakPolarHBondContact O-CD 3.07Å; L46-K162 WeakPolarHBondContact O-CE 3.35Å; L46-K162 PolarHBondContact O-NZ 3.13Å; L46-I194 HydrophobicContact CD1-CD1 4.39Å; L46-I194 HydrophobicContact CD1-CG1 4.46Å; L46-I194 HydrophobicContact CD2-CD1 4.32Å; L46-I194 HydrophobicContact CD2-CG1 4.07Å; L46-I194 HydrophobicContact CD2-CG2 4.18Å; L46-C207 HydrophobicContact CD1-CB 4.23Å; L46-C207 HydrophobicContact CD2-CB 4.14Å; L46-P209 HydrophobicContact CD1-CG 4.37Å
47F96Very high97Very high28 Ų2846.1 Ų46.112%0.12326%0.262CS..  trans-131.3160.4-173.7-47.7-68.7000112.5I41 K45 E51 V53 M70 L81 K162 C164 P209I41-F47 HydrophobicContact CD1-CE2 4.29Å; I41-F47 HydrophobicContact CG1-CE2 4.1Å; I41-F47 HydrophobicContact CG2-CD2 3.53Å; I41-F47 HydrophobicContact CG2-CE2 3.68Å; K45-F47 VanDerWaalsContact C-N 3.28Å; K45-F47 PolarHBondContact O-N 3.14Å; F47-E51 VanDerWaalsContact CA-OE2 3.25Å; F47-E51 WeakPolarHBondContact CA-OE2 3.17Å; F47-V53 HydrophobicContact CD1-CG2 3.72Å; F47-V53 HydrophobicContact CE1-CG1 3.94Å; F47-V53 HydrophobicContact CE1-CG2 3.92Å; F47-M70 HydrophobicContact CD2-CE 4.43Å; F47-M70 HydrophobicContact CE1-CE 4.44Å; F47-M70 HydrophobicContact CE2-CE 3.62Å; F47-M70 HydrophobicContact CE2-SD 4.27Å; F47-M70 HydrophobicContact CZ-CE 3.63Å; F47-M70 HydrophobicContact CZ-SD 4.42Å; F47-L81 HydrophobicContact CB-CD1 4.09Å; F47-L81 HydrophobicContact CB-CD2 3.66Å; F47-L81 HydrophobicContact CD1-CD1 4.34Å; F47-L81 HydrophobicContact CD2-CD1 3.88Å; F47-L81 HydrophobicContact CE2-CD1 4.45Å; F47-L81 HydrophobicContact CG-CD1 3.83Å; F47-L81 HydrophobicContact CG-CD2 4.22Å; F47-K162 HydrophobicContact CD1-CD 4.07Å; F47-K162 HydrophobicContact CE1-CD 4.38Å; F47-C164 WeakPolarHBondContact CZ-SG 3.17Å; F47-P209 HydrophobicContact CZ-CG 4.31Å
48R95.3Very high96.8Very high184 Ų18448.7 Ų48.769%0.69428%0.28SS*.  trans-120.7146.6168.7-59.7175178.7176.70.5108.9G50 E51 L81R48-G50 PolarHBondContact O-N 3.49Å; R48-E51 HydrophobicContact CB-CG 3.98Å; R48-E51 VanDerWaalsContact N-CD 3.29Å; R48-E51 PolarHBondContact N-OE2 3.11Å; R48-E51 WeakPolarHBondContact O-CB 3.45Å; R48-E51 WeakPolarHBondContact O-CG 3.19Å; R48-E51 PolarHBondContact O-N 3.08Å; R48-L81 WeakPolarHBondContact O-CD2 3.26Å
49P96.2Very high96.4Very high110 Ų11047.7 Ų47.771%0.71428%0.275SS*.THydrogen-bonded Turntrans-55.1138.4173.7-25.134.8000111.7E51 Y79P49-E51 VanDerWaalsContact C-N 3.34Å; P49-Y79 WeakPolarHBondContact CA-O 3.4Å
50G95.9Very high96.2Very high55 Ų5543.9 Ų43.957%0.56726%0.261SS*.THydrogen-bonded Turntrans83.9-2.8-177.600000115.4R48 G80R48-G50 PolarHBondContact O-N 3.49Å; G50-G80 WeakPolarHBondContact CA-O 3.3Å; G50-G80 PolarHBondContact N-O 3.07Å
51E96.6Very high96.1Very high25 Ų2545 Ų4512%0.11727%0.265CS..  trans-72.1140.7174.3-73.9178.9165.400111.7F47 R48 P49 L81 E82 D161 K162F47-E51 VanDerWaalsContact CA-OE2 3.25Å; F47-E51 WeakPolarHBondContact CA-OE2 3.17Å; R48-E51 HydrophobicContact CB-CG 3.98Å; R48-E51 VanDerWaalsContact N-CD 3.29Å; R48-E51 PolarHBondContact N-OE2 3.11Å; R48-E51 WeakPolarHBondContact O-CB 3.45Å; R48-E51 WeakPolarHBondContact O-CG 3.19Å; R48-E51 PolarHBondContact O-N 3.08Å; P49-E51 VanDerWaalsContact C-N 3.34Å; E51-L81 HydrophobicContact CB-CD2 4.36Å; E51-E82 PolarHBondContact O-N 2.87Å; E51-E82 VanDerWaalsContact O-N 3.07Å; E51-D161 WeakPolarHBondContact CA-OD2 3.46Å; E51-D161 HydrophobicContact CB-CB 4.23Å; E51-D161 HydrophobicContact CG-CB 4.29Å; E51-K162 IonicContact OE1-NZ 3.9Å; E51-K162 PolarHBondContact OE1-NZ 3.03Å; E51-K162 IonicContact OE2-NZ 3.37Å; E51-K162 PolarHBondContact OE2-NZ 3.49Å
52T97.6Very high96.1Very high25 Ų2546 Ų4615%0.15327%0.27CS..EExtended strand (participates in β ladder)trans-87.3122.4169.5-50.30000109.9E82 M84 V160 D161 K162T52-E82 CarbonylContact C-O 3.26Å; T52-E82 WeakPolarHBondContact CA-O 3.49Å; T52-E82 HydrophobicContact CG2-CB 4.23Å; T52-E82 PolarHBondContact OG1-OE2 3.43Å; T52-M84 HydrophobicContact CG2-SD 3.84Å; T52-V160 HydrophobicContact CG2-CG2 4.17Å; T52-D161 PolarHBondContact N-OD2 3.3Å; T52-D161 WeakPolarHBondContact O-CB 3.32Å; T52-D161 PolarHBondContact O-N 3.05Å; T52-K162 PolarHBondContact O-N 3.26Å
53V97.9Very high96Very high0 Ų042.9 Ų42.90%025%0.252CS..EExtended strand (participates in β ladder)trans-119.4118.2-174-179.70000111.1F47 L81 E82 L83 M84 K162 C164F47-V53 HydrophobicContact CD1-CG2 3.72Å; F47-V53 HydrophobicContact CE1-CG1 3.94Å; F47-V53 HydrophobicContact CE1-CG2 3.92Å; V53-L81 HydrophobicContact CG2-CD1 4.3Å; V53-L81 HydrophobicContact CG2-CD2 4.35Å; V53-E82 PolarHBondContact N-O 3.25Å; V53-L83 HydrophobicContact CB-CD2 4Å; V53-L83 HydrophobicContact CG1-CD2 4.42Å; V53-M84 PolarHBondContact O-N 3.04Å; V53-K162 CarbonylContact C-O 3.52Å; V53-K162 WeakPolarHBondContact CA-O 2.87Å; V53-C164 HydrophobicContact CG1-CB 4.45Å; V53-C164 WeakPolarHBondContact CG1-SG 3.48Å
54G98Very high96Very high0 Ų039 Ų390%022%0.219CC..EExtended strand (participates in β ladder)trans-89.3113.7176.100000111.8M84 K162 I163 C164G54-M84 CarbonylContact C-O 3.48Å; G54-M84 WeakPolarHBondContact CA-O 3.42Å; G54-K162 PolarHBondContact N-O 3Å; G54-I163 CarbonylContact O-C 3.23Å; G54-I163 WeakPolarHBondContact O-CA 3.29Å; G54-C164 PolarHBondContact O-N 2.87Å
55I98.3Very high96.2Very high0 Ų037.1 Ų37.10%020%0.204CC..EExtended strand (participates in β ladder)trans-87.3117.2175.5-54.4179.6000108.7A57 L66 A67 M70 M84 L85 I86 C164I55-A57 PolarHBondContact O-N 2.91Å; I55-A57 VanDerWaalsContact O-N 3.12Å; I55-L66 HydrophobicContact CG2-CD2 3.85Å; I55-L66 HydrophobicContact CG2-CG 4Å; I55-A67 HydrophobicContact CD1-CB 4.48Å; I55-A67 HydrophobicContact CG2-CB 4.31Å; I55-M70 HydrophobicContact CD1-CB 3.74Å; I55-M70 HydrophobicContact CD1-CG 4.12Å; I55-M84 PolarHBondContact N-O 2.74Å; I55-L85 HydrophobicContact CB-CD2 4Å; I55-L85 HydrophobicContact CG2-CD2 4.34Å; I55-L85 WeakPolarHBondContact O-CA 2.95Å; I55-I86 PolarHBondContact O-N 2.94Å; I55-C164 HydrophobicContact CG1-CB 4.42Å
56A97.7Very high96.3Very high14 Ų1428.7 Ų28.712%0.11617%0.168CC..EExtended strand (participates in β ladder)trans-69.4107.917600000110.4S63 I86 L151 I163 C164 T165A56-S63 WeakPolarHBondContact O-CB 3.48Å; A56-I86 CarbonylContact C-O 3.17Å; A56-I86 WeakPolarHBondContact CA-O 3.39Å; A56-L151 HydrophobicContact CB-CD1 4.14Å; A56-L151 HydrophobicContact CB-CD2 3.9Å; A56-I163 HydrophobicContact CB-CG2 4.29Å; A56-C164 WeakPolarHBondContact CB-O 3.47Å; A56-C164 PolarHBondContact N-O 3.19Å; A56-T165 HydrophobicContact CB-CG2 4.11Å
57A96.6Very high96.4Very high9 Ų928.6 Ų28.67%0.07417%0.167CC..  trans-101.9107.9-175.300000110.7I55 L85 I86 S87 V103I55-A57 PolarHBondContact O-N 2.91Å; I55-A57 VanDerWaalsContact O-N 3.12Å; A57-L85 HydrophobicContact CB-CB 4.31Å; A57-L85 HydrophobicContact CB-CD2 4.42Å; A57-I86 PolarHBondContact N-O 2.67Å; A57-S87 WeakPolarHBondContact O-CB 3.42Å; A57-S87 PolarHBondContact O-OG 2.77Å; A57-V103 HydrophobicContact CB-CG1 3.95Å; A57-V103 HydrophobicContact CB-CG2 4.32Å
58S93.8Very high96.5Very high57 Ų5728.9 Ų28.940%0.39917%0.169SC..  trans-90-13.5170.564.70000112.1G60 S63 R96 S99S58-G60 PolarHBondContact O-N 3.17Å; S58-G60 PolarHBondContact OG-N 2.87Å; S58-S63 PolarHBondContact N-OG 3.06Å; S58-S63 VanDerWaalsContact N-OG 3.14Å; S58-S63 PolarHBondContact OG-OG 3.4Å; S58-S63 VanDerWaalsContact OG-OG 3.14Å; S58-R96 PolarHBondContact O-NH1 3.26Å; S58-S99 PolarHBondContact O-OG 2.84Å
59G90.7Very high96.7Very high0 Ų020.1 Ų20.10%014%0.136CC..SBendtrans81.5-5-171.300000113.1S63 V103 F230G59-S63 PolarHBondContact N-OG 2.91Å; G59-V103 VanDerWaalsContact CA-CG2 3.47Å; G59-F230 WeakPolarHBondContact O-CB 3.32Å; G59-F230 PolarHBondContact O-N 2.98Å
60G94Very high96.8Very high16 Ų1614.9 Ų14.917%0.16510%0.102CC..BIsolated β-bridgetrans-82.2164.3172.300000112.6S58 D62 S63 T64 F230S58-G60 PolarHBondContact O-N 3.17Å; S58-G60 PolarHBondContact OG-N 2.87Å; G60-D62 VanDerWaalsContact C-N 3.31Å; G60-D62 PolarHBondContact O-N 3.3Å; G60-D62 VanDerWaalsContact O-N 3.13Å; G60-S63 PolarHBondContact N-OG 2.97Å; G60-S63 PolarHBondContact O-N 2.96Å; G60-S63 VanDerWaalsContact O-N 3.12Å; G60-S63 PolarHBondContact O-OG 2.93Å; G60-T64 PolarHBondContact O-N 2.82Å; G60-T64 PolarHBondContact O-OG1 2.77Å; G60-F230 WeakPolarHBondContact CA-O 3.46Å
61K95.3Very high96.9Very high41 Ų4114.8 Ų14.818%0.1789%0.086CC..Hα-helixtrans-44.2-49-17576-171.3-167.4-59.60114.2S63 T64 V65 E215 I218 V219 Y229K61-S63 PolarHBondContact O-N 3.02Å; K61-T64 PolarHBondContact O-N 2.84Å; K61-V65 WeakPolarHBondContact O-CB 3.16Å; K61-V65 WeakPolarHBondContact O-CG2 3.35Å; K61-V65 PolarHBondContact O-N 2.79Å; K61-E215 VanDerWaalsContact CE-CG 3.47Å; K61-E215 WeakPolarHBondContact CE-OE1 3.46Å; K61-E215 IonicContact NZ-OE1 2.66Å; K61-E215 PolarHBondContact NZ-OE1 3.4Å; K61-I218 HydrophobicContact CG-CG2 4.35Å; K61-V219 HydrophobicContact CD-CG2 3.62Å; K61-Y229 HydrophobicContact CB-CD2 3.79Å; K61-Y229 HydrophobicContact CB-CE2 4.04Å; K61-Y229 HydrophobicContact CB-CG 4.09Å
62D97.1Very high97Very high28 Ų2815.5 Ų15.515%0.159%0.09CC..Hα-helixtrans-70.6-39.2-171.3-48.5-83.4000111G60 L66 G166 N168 I218G60-D62 VanDerWaalsContact C-N 3.31Å; G60-D62 PolarHBondContact O-N 3.3Å; G60-D62 VanDerWaalsContact O-N 3.13Å; D62-L66 VanDerWaalsContact O-CB 3.26Å; D62-L66 WeakPolarHBondContact O-CB 3.3Å; D62-L66 PolarHBondContact O-N 2.96Å; D62-G166 VanDerWaalsContact CB-O 3.28Å; D62-G166 WeakPolarHBondContact CB-O 3.29Å; D62-N168 PolarHBondContact OD1-ND2 3.44Å; D62-I218 HydrophobicContact CB-CG2 4.47Å
63S96.5Very high97Very high6 Ų614.3 Ų14.34%0.0428%0.083CC..Hα-helixtrans-70.7-36.4176.969.50000112.5A56 S58 G59 G60 K61 L66 A67A56-S63 WeakPolarHBondContact O-CB 3.48Å; S58-S63 PolarHBondContact N-OG 3.06Å; S58-S63 VanDerWaalsContact N-OG 3.14Å; S58-S63 PolarHBondContact OG-OG 3.4Å; S58-S63 VanDerWaalsContact OG-OG 3.14Å; G59-S63 PolarHBondContact N-OG 2.91Å; G60-S63 PolarHBondContact N-OG 2.97Å; G60-S63 PolarHBondContact O-N 2.96Å; G60-S63 VanDerWaalsContact O-N 3.12Å; G60-S63 PolarHBondContact O-OG 2.93Å; K61-S63 PolarHBondContact O-N 3.02Å; S63-L66 PolarHBondContact O-N 2.81Å; S63-A67 WeakPolarHBondContact O-CB 3.32Å; S63-A67 PolarHBondContact O-N 3.41Å
64T97.2Very high97Very high0 Ų015.4 Ų15.40%09%0.089CC..Hα-helixtrans-69.2-43.7176.3-58.20000111.2G60 K61 L66 A67 H68 N106 Y110 L227 D228G60-T64 PolarHBondContact O-N 2.82Å; G60-T64 PolarHBondContact O-OG1 2.77Å; K61-T64 PolarHBondContact O-N 2.84Å; T64-L66 VanDerWaalsContact C-N 3.34Å; T64-A67 PolarHBondContact O-N 3.17Å; T64-H68 WeakPolarHBondContact O-CB 3.36Å; T64-H68 PolarHBondContact O-N 3.07Å; T64-N106 PolarHBondContact OG1-OD1 2.69Å; T64-Y110 HydrophobicContact CG2-CE2 4.47Å; T64-L227 HydrophobicContact CG2-CB 4.04Å; T64-L227 HydrophobicContact CG2-CD1 4.37Å; T64-D228 WeakPolarHBondContact CG2-O 3.22Å
65V98.3Very high97Very high0 Ų021 Ų210%012%0.115CC..Hα-helixtrans-62.6-42.9173.9169.80000110.7F33 K61 A67 H68 V69 I218 Y221 A222 L227F33-V65 HydrophobicContact CE1-CG1 3.94Å; F33-V65 HydrophobicContact CZ-CG1 4.1Å; K61-V65 WeakPolarHBondContact O-CB 3.16Å; K61-V65 WeakPolarHBondContact O-CG2 3.35Å; K61-V65 PolarHBondContact O-N 2.79Å; V65-A67 PolarHBondContact O-N 2.94Å; V65-H68 PolarHBondContact O-N 2.74Å; V65-V69 HydrophobicContact CG1-CG2 4.09Å; V65-V69 WeakPolarHBondContact O-CB 3.08Å; V65-V69 VanDerWaalsContact O-CG2 3.3Å; V65-V69 WeakPolarHBondContact O-CG2 3.29Å; V65-V69 PolarHBondContact O-N 3.22Å; V65-I218 HydrophobicContact CB-CG2 3.99Å; V65-I218 HydrophobicContact CG1-CG2 4.24Å; V65-I218 HydrophobicContact CG2-CG2 3.82Å; V65-Y221 HydrophobicContact CG1-CD1 3.89Å; V65-Y221 HydrophobicContact CG1-CE1 4.34Å; V65-Y221 HydrophobicContact CG2-CD1 4.17Å; V65-A222 HydrophobicContact CG2-CB 3.71Å; V65-L227 HydrophobicContact CG2-CD1 3.82Å
66L98.4Very high97Very high1 Ų126 Ų261%0.00513%0.134CC..Hα-helixtrans-58.1-48.7175.3175.265.5000111.5I55 D62 S63 T64 H68 V69 M70 C164 P209 L210I55-L66 HydrophobicContact CG2-CD2 3.85Å; I55-L66 HydrophobicContact CG2-CG 4Å; D62-L66 VanDerWaalsContact O-CB 3.26Å; D62-L66 WeakPolarHBondContact O-CB 3.3Å; D62-L66 PolarHBondContact O-N 2.96Å; S63-L66 PolarHBondContact O-N 2.81Å; T64-L66 VanDerWaalsContact C-N 3.34Å; L66-H68 PolarHBondContact O-N 3.24Å; L66-V69 PolarHBondContact O-N 2.97Å; L66-M70 HydrophobicContact CD1-CG 3.64Å; L66-M70 HydrophobicContact CD1-SD 4.35Å; L66-M70 HydrophobicContact CG-CG 4.19Å; L66-M70 VanDerWaalsContact O-CB 3.25Å; L66-M70 WeakPolarHBondContact O-CB 3.42Å; L66-M70 WeakPolarHBondContact O-CG 3.49Å; L66-M70 PolarHBondContact O-N 2.93Å; L66-C164 HydrophobicContact CD2-CB 3.95Å; L66-P209 HydrophobicContact CD1-CB 3.86Å; L66-P209 HydrophobicContact CD1-CG 3.82Å; L66-L210 HydrophobicContact CB-CD1 3.94Å; L66-L210 HydrophobicContact CB-CG 4.49Å; L66-L210 HydrophobicContact CD1-CG 4.19Å
67A98.1Very high97Very high2 Ų228.7 Ų28.72%0.01714%0.144CC..Hα-helixtrans-59.3-47.3178.500000111.9I55 S63 T64 V65 K71 L85 Y110I55-A67 HydrophobicContact CD1-CB 4.48Å; I55-A67 HydrophobicContact CG2-CB 4.31Å; S63-A67 WeakPolarHBondContact O-CB 3.32Å; S63-A67 PolarHBondContact O-N 3.41Å; T64-A67 PolarHBondContact O-N 3.17Å; V65-A67 PolarHBondContact O-N 2.94Å; A67-K71 WeakPolarHBondContact O-CB 3.14Å; A67-K71 PolarHBondContact O-N 3.37Å; A67-K71 VanDerWaalsContact O-N 3.08Å; A67-L85 HydrophobicContact CB-CD2 4.13Å; A67-Y110 HydrophobicContact CB-CD2 4.29Å; A67-Y110 HydrophobicContact CB-CE2 4.34Å
68H98.2Very high97Very high34 Ų3431 Ų3116%0.15717%0.169CC..Hα-helixtrans-59.2-51.6177.4-179.481.3000112.2T64 V65 L66 K71 L72 Y110 Y221 L227T64-H68 WeakPolarHBondContact O-CB 3.36Å; T64-H68 PolarHBondContact O-N 3.07Å; V65-H68 PolarHBondContact O-N 2.74Å; L66-H68 PolarHBondContact O-N 3.24Å; H68-K71 PolarHBondContact O-N 3.05Å; H68-L72 VanDerWaalsContact O-CB 3.29Å; H68-L72 WeakPolarHBondContact O-CB 3.41Å; H68-L72 PolarHBondContact O-N 3.22Å; H68-Y110 HydrophobicContact CB-CE1 4.12Å; H68-Y110 AromaticContact ND1-CE1 3.61Å; H68-Y221 AromaticContact CD2-CE1 3.72Å; H68-Y221 PolarHBondContact CD2-OH 3.41Å; H68-Y221 PolarHBondContact NE2-OH 2.93Å; H68-L227 HydrophobicContact CB-CD1 4.07Å
69V98.3Very high97.1Very high0 Ų029.8 Ų29.80%016%0.156CC..Hα-helixtrans-68-40.5-176.5172.60000111.1F33 V37 V65 L66 K71 L72 L73 Y221F33-V69 HydrophobicContact CE1-CG2 4.13Å; V37-V69 HydrophobicContact CB-CG1 4.07Å; V37-V69 HydrophobicContact CG1-CG1 3.75Å; V37-V69 HydrophobicContact CG2-CG1 4.43Å; V65-V69 HydrophobicContact CG1-CG2 4.09Å; V65-V69 WeakPolarHBondContact O-CB 3.08Å; V65-V69 VanDerWaalsContact O-CG2 3.3Å; V65-V69 WeakPolarHBondContact O-CG2 3.29Å; V65-V69 PolarHBondContact O-N 3.22Å; L66-V69 PolarHBondContact O-N 2.97Å; V69-K71 PolarHBondContact O-N 3.31Å; V69-L72 PolarHBondContact O-N 3.41Å; V69-L73 HydrophobicContact CG1-CD1 3.61Å; V69-L73 HydrophobicContact CG1-CG 3.97Å; V69-L73 WeakPolarHBondContact O-CB 3.43Å; V69-L73 VanDerWaalsContact O-CG 3.25Å; V69-L73 WeakPolarHBondContact O-CG 3.29Å; V69-L73 PolarHBondContact O-N 3.41Å; V69-Y221 HydrophobicContact CG2-CE1 3.88Å
70M98.3Very high97.5Very high0 Ų031.8 Ų31.80%018%0.177CC..Hα-helixtrans-61-45.3176.3-75.1-64.6-61.900111.8I41 F47 I55 L66 N74 L81 L83 P209I41-M70 HydrophobicContact CD1-SD 3.9Å; F47-M70 HydrophobicContact CD2-CE 4.43Å; F47-M70 HydrophobicContact CE1-CE 4.44Å; F47-M70 HydrophobicContact CE2-CE 3.62Å; F47-M70 HydrophobicContact CE2-SD 4.27Å; F47-M70 HydrophobicContact CZ-CE 3.63Å; F47-M70 HydrophobicContact CZ-SD 4.42Å; I55-M70 HydrophobicContact CD1-CB 3.74Å; I55-M70 HydrophobicContact CD1-CG 4.12Å; L66-M70 HydrophobicContact CD1-CG 3.64Å; L66-M70 HydrophobicContact CD1-SD 4.35Å; L66-M70 HydrophobicContact CG-CG 4.19Å; L66-M70 VanDerWaalsContact O-CB 3.25Å; L66-M70 WeakPolarHBondContact O-CB 3.42Å; L66-M70 WeakPolarHBondContact O-CG 3.49Å; L66-M70 PolarHBondContact O-N 2.93Å; M70-N74 WeakPolarHBondContact O-CB 3.3Å; M70-N74 PolarHBondContact O-N 3.23Å; M70-L81 HydrophobicContact CE-CD1 4.13Å; M70-L83 HydrophobicContact CB-CD1 4.27Å; M70-L83 HydrophobicContact CE-CD2 4.27Å; M70-P209 HydrophobicContact SD-CB 4.14Å; M70-P209 HydrophobicContact SD-CG 3.86Å
71K97.9Very high97.6Very high53 Ų5331.6 Ų31.623%0.2317%0.172CC..Hα-helixtrans-61-49.9175.6177.656.4158.4156.40111.3A67 H68 V69 L73 N74 E75 L83 Y110 L112A67-K71 WeakPolarHBondContact O-CB 3.14Å; A67-K71 PolarHBondContact O-N 3.37Å; A67-K71 VanDerWaalsContact O-N 3.08Å; H68-K71 PolarHBondContact O-N 3.05Å; V69-K71 PolarHBondContact O-N 3.31Å; K71-L73 PolarHBondContact O-N 2.96Å; K71-N74 PolarHBondContact O-N 2.89Å; K71-E75 HydrophobicContact CD-CG 4.48Å; K71-E75 WeakPolarHBondContact CD-OE1 3.35Å; K71-E75 WeakPolarHBondContact CE-OE1 3.43Å; K71-E75 IonicContact NZ-OE1 3.89Å; K71-E75 PolarHBondContact NZ-OE1 3.3Å; K71-E75 WeakPolarHBondContact O-CG 3.45Å; K71-E75 PolarHBondContact O-N 3.04Å; K71-E75 VanDerWaalsContact O-N 3.13Å; K71-L83 HydrophobicContact CB-CD1 4.32Å; K71-Y110 WeakPolarHBondContact CE-O 3.28Å; K71-L112 HydrophobicContact CD-CD2 4.29Å
72L98.1Very high97.8Very high39 Ų3935.5 Ų35.520%0.20419%0.191CC..Hα-helixtrans-59-45.7179.4-179.367.5000112.8E34 H68 V69 R76E34-L72 HydrophobicContact CG-CD2 3.93Å; E34-L72 WeakPolarHBondContact OE1-CD2 3.45Å; E34-L72 WeakPolarHBondContact OE2-CD2 3.47Å; H68-L72 VanDerWaalsContact O-CB 3.29Å; H68-L72 WeakPolarHBondContact O-CB 3.41Å; H68-L72 PolarHBondContact O-N 3.22Å; V69-L72 PolarHBondContact O-N 3.41Å; L72-R76 WeakPolarHBondContact O-CB 3.45Å; L72-R76 PolarHBondContact O-N 2.86Å
73L98.3Very high97.8Very high0 Ų034.8 Ų34.80%019%0.187CC..Hα-helixtrans-73.3-35.3-179.2-67.3-179.2000112.2E34 V37 H38 I41 V69 K71 E75 R76 H77 Y79E34-L73 HydrophobicContact CB-CD2 4.37Å; V37-L73 HydrophobicContact CB-CD1 4.25Å; V37-L73 HydrophobicContact CG1-CD1 3.96Å; H38-L73 HydrophobicContact CB-CD1 4.02Å; H38-L73 HydrophobicContact CB-CD2 4.08Å; I41-L73 HydrophobicContact CD1-CD1 4.05Å; V69-L73 HydrophobicContact CG1-CD1 3.61Å; V69-L73 HydrophobicContact CG1-CG 3.97Å; V69-L73 WeakPolarHBondContact O-CB 3.43Å; V69-L73 VanDerWaalsContact O-CG 3.25Å; V69-L73 WeakPolarHBondContact O-CG 3.29Å; V69-L73 PolarHBondContact O-N 3.41Å; K71-L73 PolarHBondContact O-N 2.96Å; L73-E75 VanDerWaalsContact C-N 3.29Å; L73-E75 PolarHBondContact O-N 2.95Å; L73-R76 PolarHBondContact O-N 3.14Å; L73-H77 WeakPolarHBondContact O-CB 3.38Å; L73-H77 PolarHBondContact O-N 3.24Å; L73-Y79 HydrophobicContact CB-CE2 3.79Å
74N98.1Very high97.9Very high23 Ų2335.7 Ų35.712%0.12319%0.191CC..Hα-helixtrans-58.5-43.3174.1-171.835.1000110.9M70 K71 G78 Y79 G80 L81 L83M70-N74 WeakPolarHBondContact O-CB 3.3Å; M70-N74 PolarHBondContact O-N 3.23Å; K71-N74 PolarHBondContact O-N 2.89Å; N74-G78 VanDerWaalsContact O-CA 3.25Å; N74-G78 WeakPolarHBondContact O-CA 3.37Å; N74-G78 PolarHBondContact O-N 2.81Å; N74-Y79 HydrophobicContact CB-CD2 4.37Å; N74-Y79 PolarHBondContact O-N 2.85Å; N74-Y79 WeakPolarHBondContact OD1-CB 3.49Å; N74-G80 PolarHBondContact OD1-N 2.93Å; N74-G80 VanDerWaalsContact OD1-N 3.12Å; N74-L81 PolarHBondContact ND2-O 3.38Å; N74-L81 PolarHBondContact OD1-N 2.86Å; N74-L83 HydrophobicContact CB-CD1 4.1Å
75E97.6Very high97.9Very high118 Ų11835.8 Ų35.855%0.55119%0.191SC*.Hα-helixtrans-72.5-48.7176.8-69.1171.4174.900112.4K71 L73 H77K71-E75 HydrophobicContact CD-CG 4.48Å; K71-E75 WeakPolarHBondContact CD-OE1 3.35Å; K71-E75 WeakPolarHBondContact CE-OE1 3.43Å; K71-E75 IonicContact NZ-OE1 3.89Å; K71-E75 PolarHBondContact NZ-OE1 3.3Å; K71-E75 WeakPolarHBondContact O-CG 3.45Å; K71-E75 PolarHBondContact O-N 3.04Å; K71-E75 VanDerWaalsContact O-N 3.13Å; L73-E75 VanDerWaalsContact C-N 3.29Å; L73-E75 PolarHBondContact O-N 2.95Å; E75-H77 PolarHBondContact O-N 2.88Å
76R98.1Very high97.9Very high105 Ų10535.8 Ų35.840%0.39619%0.191SC..Hα-helixtrans-63-41-176.1179.7-175.7-63.2170.12.7113E34 L72 L73E34-R76 IonicContact OE2-CZ 3.81Å; E34-R76 IonicContact OE2-NH1 2.81Å; E34-R76 PolarHBondContact OE2-NH1 3.41Å; E34-R76 IonicContact OE2-NH2 2.73Å; E34-R76 PolarHBondContact OE2-NH2 3.27Å; L72-R76 WeakPolarHBondContact O-CB 3.45Å; L72-R76 PolarHBondContact O-N 2.86Å; L73-R76 PolarHBondContact O-N 3.14Å
77H97.8Very high97.9Very high70 Ų7035.8 Ų35.832%0.32419%0.191SC..Hα-helixtrans-107.60.4-174.1-60.9-85.1000113.3H38 L73 E75 Y79H38-H77 AromaticContact CD2-CE1 3.93Å; H38-H77 AromaticContact CE1-CD2 3.75Å; H38-H77 AromaticContact CE1-CE1 3.58Å; H38-H77 AromaticContact CE1-CG 3.38Å; H38-H77 AromaticContact CE1-ND1 3.29Å; H38-H77 PolarHBondContact CE1-ND1 3.2Å; H38-H77 VanDerWaalsContact CE1-ND1 3.29Å; H38-H77 AromaticContact CE1-NE2 3.89Å; H38-H77 AromaticContact CG-CE1 3.88Å; H38-H77 AromaticContact CG-NE2 3.73Å; H38-H77 AromaticContact ND1-CD2 3.35Å; H38-H77 PolarHBondContact ND1-CD2 3.06Å; H38-H77 VanDerWaalsContact ND1-CD2 3.35Å; H38-H77 AromaticContact ND1-CE1 3.64Å; H38-H77 AromaticContact ND1-CG 3.48Å; H38-H77 AromaticContact ND1-ND1 3.67Å; H38-H77 AromaticContact ND1-NE2 3.47Å; H38-H77 PolarHBondContact ND1-NE2 3.3Å; H38-H77 AromaticContact NE2-CE1 3.78Å; H38-H77 AromaticContact NE2-ND1 3.74Å; L73-H77 WeakPolarHBondContact O-CB 3.38Å; L73-H77 PolarHBondContact O-N 3.24Å; E75-H77 PolarHBondContact O-N 2.88Å; H77-Y79 HydrophobicContact CB-CD1 4.01Å; H77-Y79 HydrophobicContact CB-CE1 3.8Å; H77-Y79 PolarHBondContact O-N 3.46Å
78G96.5Very high97.8Very high59 Ų5935.9 Ų35.961%0.60819%0.192SC*.THydrogen-bonded Turntrans6144178.300000113.2N74 G80N74-G78 VanDerWaalsContact O-CA 3.25Å; N74-G78 WeakPolarHBondContact O-CA 3.37Å; N74-G78 PolarHBondContact O-N 2.81Å; G78-G80 PolarHBondContact O-N 2.81Å
79Y97.3Very high97.7Very high30 Ų3036.2 Ų36.212%0.11819%0.194CC..  trans-61.1-24.9179.1-62.1-30.2000112.6H38 I41 P49 L73 N74 H77 L81H38-Y79 AromaticContact CE1-CE1 3.77Å; H38-Y79 AromaticContact ND1-CE1 3.73Å; H38-Y79 AromaticContact ND1-CZ 3.52Å; H38-Y79 PolarHBondContact ND1-OH 3.03Å; I41-Y79 HydrophobicContact CD1-CE2 4.11Å; I41-Y79 HydrophobicContact CG2-CE2 4.18Å; P49-Y79 WeakPolarHBondContact CA-O 3.4Å; L73-Y79 HydrophobicContact CB-CE2 3.79Å; N74-Y79 HydrophobicContact CB-CD2 4.37Å; N74-Y79 PolarHBondContact O-N 2.85Å; N74-Y79 WeakPolarHBondContact OD1-CB 3.49Å; H77-Y79 HydrophobicContact CB-CD1 4.01Å; H77-Y79 HydrophobicContact CB-CE1 3.8Å; H77-Y79 PolarHBondContact O-N 3.46Å; Y79-L81 HydrophobicContact CD2-CD1 4.06Å; Y79-L81 HydrophobicContact CG-CD1 4.49Å
80G97.3Very high97.6Very high43 Ų4336.5 Ų36.544%0.44320%0.196SC..  trans70.433.1178.200000112.8G50 N74 G78G50-G80 WeakPolarHBondContact CA-O 3.3Å; G50-G80 PolarHBondContact N-O 3.07Å; N74-G80 PolarHBondContact OD1-N 2.93Å; N74-G80 VanDerWaalsContact OD1-N 3.12Å; G78-G80 PolarHBondContact O-N 2.81Å
81L98Very high97.4Very high11 Ų1137.5 Ų37.56%0.05821%0.206CC..  trans-90.2142.3-179.8-52.5176.4000111.2F47 R48 E51 V53 M70 N74 Y79 L83F47-L81 HydrophobicContact CB-CD1 4.09Å; F47-L81 HydrophobicContact CB-CD2 3.66Å; F47-L81 HydrophobicContact CD1-CD1 4.34Å; F47-L81 HydrophobicContact CD2-CD1 3.88Å; F47-L81 HydrophobicContact CE2-CD1 4.45Å; F47-L81 HydrophobicContact CG-CD1 3.83Å; F47-L81 HydrophobicContact CG-CD2 4.22Å; R48-L81 WeakPolarHBondContact O-CD2 3.26Å; E51-L81 HydrophobicContact CB-CD2 4.36Å; V53-L81 HydrophobicContact CG2-CD1 4.3Å; V53-L81 HydrophobicContact CG2-CD2 4.35Å; M70-L81 HydrophobicContact CE-CD1 4.13Å; N74-L81 PolarHBondContact ND2-O 3.38Å; N74-L81 PolarHBondContact OD1-N 2.86Å; Y79-L81 HydrophobicContact CD2-CD1 4.06Å; Y79-L81 HydrophobicContact CG-CD1 4.49Å; L81-L83 HydrophobicContact CB-CD2 3.85Å; L81-L83 HydrophobicContact CB-CG 4.35Å; L81-L83 HydrophobicContact CD1-CD2 4.25Å
82E98Very high97.2Very high124 Ų12435.1 Ų35.158%0.57920%0.196SC*.EExtended strand (participates in β ladder)trans-88.8104.4166.1-64.8-175.517100108.9E51 T52 V53E51-E82 PolarHBondContact O-N 2.87Å; E51-E82 VanDerWaalsContact O-N 3.07Å; T52-E82 CarbonylContact C-O 3.26Å; T52-E82 WeakPolarHBondContact CA-O 3.49Å; T52-E82 HydrophobicContact CG2-CB 4.23Å; T52-E82 PolarHBondContact OG1-OE2 3.43Å; V53-E82 PolarHBondContact N-O 3.25Å
83L98.2Very high96.8Very high13 Ų1338.1 Ų38.17%0.06822%0.216CC..EExtended strand (participates in β ladder)trans-93.2136.5-175.5-59.6-178.8000111.2V53 M70 K71 N74 L81 L112V53-L83 HydrophobicContact CB-CD2 4Å; V53-L83 HydrophobicContact CG1-CD2 4.42Å; M70-L83 HydrophobicContact CB-CD1 4.27Å; M70-L83 HydrophobicContact CE-CD2 4.27Å; K71-L83 HydrophobicContact CB-CD1 4.32Å; N74-L83 HydrophobicContact CB-CD1 4.1Å; L81-L83 HydrophobicContact CB-CD2 3.85Å; L81-L83 HydrophobicContact CB-CG 4.35Å; L81-L83 HydrophobicContact CD1-CD2 4.25Å; L83-L112 HydrophobicContact CB-CD1 4.38Å; L83-L112 HydrophobicContact CB-CD2 3.77Å
84M97.8Very high96.1Very high25 Ų2540.7 Ų40.712%0.12324%0.243CC..EExtended strand (participates in β ladder)trans-144.2159172.468.7-165-3700111.7T52 V53 G54 I55 P113 L158 V160T52-M84 HydrophobicContact CG2-SD 3.84Å; V53-M84 PolarHBondContact O-N 3.04Å; G54-M84 CarbonylContact C-O 3.48Å; G54-M84 WeakPolarHBondContact CA-O 3.42Å; I55-M84 PolarHBondContact N-O 2.74Å; M84-P113 CarbonylContact C-O 3.49Å; M84-P113 WeakPolarHBondContact CA-O 3.3Å; M84-P113 HydrophobicContact CB-CB 4.22Å; M84-P113 HydrophobicContact CE-CB 4.45Å; M84-L158 HydrophobicContact CE-CB 3.88Å; M84-L158 HydrophobicContact CE-CD1 3.55Å; M84-L158 HydrophobicContact CE-CD2 3.72Å; M84-L158 HydrophobicContact CE-CG 3.89Å; M84-L158 HydrophobicContact CG-CD1 4.45Å; M84-L158 HydrophobicContact SD-CB 3.84Å; M84-L158 HydrophobicContact SD-CD1 3.84Å; M84-L158 HydrophobicContact SD-CG 4.34Å; M84-V160 HydrophobicContact CG-CG2 4.14Å; M84-V160 HydrophobicContact SD-CG2 3.39Å; M84-V160 WeakPolarHBondContact SD-CG2 3.22Å
85L98.1Very high95.6Very high1 Ų141.5 Ų41.51%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-99.1136.1178.7-56.6-178.5000110.6I55 A57 A67 Q107 L112 P113 L114 K115I55-L85 HydrophobicContact CB-CD2 4Å; I55-L85 HydrophobicContact CG2-CD2 4.34Å; I55-L85 WeakPolarHBondContact O-CA 2.95Å; A57-L85 HydrophobicContact CB-CB 4.31Å; A57-L85 HydrophobicContact CB-CD2 4.42Å; A67-L85 HydrophobicContact CB-CD2 4.13Å; L85-Q107 HydrophobicContact CD1-CB 4.3Å; L85-L112 HydrophobicContact CD1-CB 4.37Å; L85-L112 HydrophobicContact CD2-CD1 3.92Å; L85-L112 HydrophobicContact CG-CB 3.97Å; L85-L112 HydrophobicContact CG-CD1 4.3Å; L85-P113 PolarHBondContact N-O 3.34Å; L85-L114 HydrophobicContact CB-CB 4.3Å; L85-L114 HydrophobicContact CB-CD1 3.6Å; L85-L114 WeakPolarHBondContact O-CA 3.41Å; L85-K115 PolarHBondContact O-N 2.92Å
86I97.8Very high95.1Very high1 Ų136.1 Ų36.11%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-121.8118.4171.3-49.1179.4000108.1I55 A56 A57 K115 L151 A155 L158 V160I55-I86 PolarHBondContact O-N 2.94Å; A56-I86 CarbonylContact C-O 3.17Å; A56-I86 WeakPolarHBondContact CA-O 3.39Å; A57-I86 PolarHBondContact N-O 2.67Å; I86-K115 WeakPolarHBondContact CA-O 3.47Å; I86-L151 HydrophobicContact CB-CD2 4.29Å; I86-L151 HydrophobicContact CG2-CD2 3.91Å; I86-A155 HydrophobicContact CD1-CB 4.04Å; I86-L158 HydrophobicContact CD1-CD1 4.18Å; I86-L158 HydrophobicContact CG1-CD1 3.89Å; I86-V160 HydrophobicContact CD1-CG2 4.32Å
87S97.3Very high94.5Very high0 Ų035.3 Ų35.30%022%0.222CC..EExtended strand (participates in β ladder)trans-117.9143.5179-176.10000110.2A57 R96 L100 K115 I116 V117A57-S87 WeakPolarHBondContact O-CB 3.42Å; A57-S87 PolarHBondContact O-OG 2.77Å; S87-R96 PolarHBondContact OG-NH2 3.27Å; S87-L100 VanDerWaalsContact OG-CD2 3.29Å; S87-L100 WeakPolarHBondContact OG-CD2 3.29Å; S87-K115 PolarHBondContact N-O 3.21Å; S87-I116 WeakPolarHBondContact O-CA 3.38Å; S87-V117 PolarHBondContact O-N 3.17Å
88V97Very high93.9Very high5 Ų535.7 Ų35.73%0.0323%0.227CC..EExtended strand (participates in β ladder)trans-110.9119.5178.2179.10000108.8E90 R96 V117 Y119 R147 A150 L151V88-E90 HydrophobicContact CG1-CG 4.43Å; V88-E90 VanDerWaalsContact O-OE2 3.04Å; V88-R96 PolarHBondContact O-NE 3.37Å; V88-R96 PolarHBondContact O-NH2 3.45Å; V88-V117 CarbonylContact C-O 3.59Å; V88-V117 VanDerWaalsContact CA-O 3.29Å; V88-V117 WeakPolarHBondContact CA-O 3.28Å; V88-V117 HydrophobicContact CB-CG2 4.49Å; V88-V117 HydrophobicContact CG2-CG2 3.94Å; V88-Y119 HydrophobicContact CG1-CD1 3.84Å; V88-Y119 HydrophobicContact CG1-CE1 3.39Å; V88-R147 HydrophobicContact CB-CG 4.43Å; V88-R147 HydrophobicContact CG1-CG 4.46Å; V88-R147 HydrophobicContact CG2-CG 4.36Å; V88-A150 HydrophobicContact CG1-CB 3.85Å; V88-A150 HydrophobicContact CG2-CB 3.98Å; V88-L151 HydrophobicContact CG2-CD2 3.77Å; V88-L151 HydrophobicContact CG2-CG 3.78Å
89D96.8Very high93.5Very high40 Ų4032.9 Ų32.921%0.21420%0.198CC..EExtended strand (participates in β ladder)trans-87108.9170.8-178.59.1000110G91 R96 L100 I116 V117 S118 Y119D89-G91 VanDerWaalsContact C-N 3.33Å; D89-G91 PolarHBondContact OD1-N 3.13Å; D89-R96 VanDerWaalsContact OD1-CG 3.23Å; D89-R96 WeakPolarHBondContact OD1-CG 3.47Å; D89-L100 HydrophobicContact CB-CD1 3.92Å; D89-I116 HydrophobicContact CB-CG2 4.06Å; D89-V117 PolarHBondContact N-O 3.44Å; D89-S118 CarbonylContact O-C 3.56Å; D89-S118 VanDerWaalsContact O-CA 3.32Å; D89-S118 WeakPolarHBondContact O-CA 3.47Å; D89-Y119 PolarHBondContact O-N 2.93Å
90E95.6Very high93.3Very high6 Ų632.1 Ų32.13%0.02820%0.196CC..  trans-79.1-14.2177.6-62.993164.300114V88 I92 R96 Y119 M127 R147V88-E90 HydrophobicContact CG1-CG 4.43Å; V88-E90 VanDerWaalsContact O-OE2 3.04Å; E90-I92 HydrophobicContact CB-CD1 4.28Å; E90-I92 HydrophobicContact CB-CG1 4.15Å; E90-R96 VanDerWaalsContact OE2-CD 3.26Å; E90-R96 WeakPolarHBondContact OE2-CD 3.35Å; E90-R96 IonicContact OE2-CZ 2.63Å; E90-R96 IonicContact OE2-NE 2.68Å; E90-R96 PolarHBondContact OE2-NE 3.42Å; E90-Y119 HydrophobicContact CB-CD2 4.07Å; E90-Y119 HydrophobicContact CB-CE2 3.86Å; E90-Y119 HydrophobicContact CG-CD2 4.29Å; E90-Y119 HydrophobicContact CG-CE1 4.17Å; E90-Y119 HydrophobicContact CG-CE2 3.67Å; E90-M127 HydrophobicContact CB-CB 4.31Å; E90-M127 HydrophobicContact CB-CG 3.69Å; E90-M127 HydrophobicContact CG-CG 4.4Å; E90-M127 WeakPolarHBondContact O-CB 3.4Å; E90-M127 PolarHBondContact O-N 3.27Å; E90-R147 IonicContact OE1-CZ 2.93Å; E90-R147 IonicContact OE1-NE 2.94Å; E90-R147 PolarHBondContact OE1-NE 3.26Å; E90-R147 IonicContact OE1-NH2 2.77Å; E90-R147 PolarHBondContact OE1-NH2 3.16Å
91G94.9Very high93Very high21 Ų2135.2 Ų35.222%0.21620%0.199CC..  trans66.455.4-173.500000112.5D89 D128D89-G91 VanDerWaalsContact C-N 3.33Å; D89-G91 PolarHBondContact OD1-N 3.13Å; G91-D128 PolarHBondContact O-N 3.46Å
92I92.8Very high92.8Very high3 Ų334.9 Ų34.92%0.01520%0.197CC..  trans-106108.1171.9-56174.1000108.2E90 G94 Y95 R96 M127 D128 I235 Y236E90-I92 HydrophobicContact CB-CD1 4.28Å; E90-I92 HydrophobicContact CB-CG1 4.15Å; I92-G94 PolarHBondContact O-N 3.36Å; I92-Y95 HydrophobicContact CB-CD1 4.3Å; I92-Y95 HydrophobicContact CD1-CD1 4.3Å; I92-Y95 HydrophobicContact CG2-CD1 4.41Å; I92-Y95 HydrophobicContact CG2-CG 4.45Å; I92-Y95 PolarHBondContact O-N 3.46Å; I92-R96 HydrophobicContact CB-CB 4.41Å; I92-R96 PolarHBondContact O-N 3.45Å; I92-M127 HydrophobicContact CD1-CB 4.16Å; I92-M127 HydrophobicContact CD1-CG 4.42Å; I92-M127 HydrophobicContact CG1-CB 3.55Å; I92-M127 HydrophobicContact CG1-CG 4.22Å; I92-D128 WeakPolarHBondContact CA-OD1 3.49Å; I92-I235 HydrophobicContact CG2-CD1 4.02Å; I92-I235 HydrophobicContact CG2-CG1 4Å; I92-Y236 HydrophobicContact CD1-CD2 4.21Å; I92-Y236 HydrophobicContact CG1-CD2 4.41Å; I92-Y236 HydrophobicContact CG1-CE2 4.38Å; I92-Y236 HydrophobicContact CG2-CD2 4.25Å; I92-Y236 HydrophobicContact CG2-CE2 3.97Å
93T89.4Confident92.6Very high103 Ų10329 Ų2963%0.63217%0.17SC*.THydrogen-bonded Turntrans-60.2132.2-175.1-55.10000111.5Y95 D128T93-Y95 PolarHBondContact O-N 2.92Å; T93-D128 VanDerWaalsContact CB-OD2 3.23Å; T93-D128 WeakPolarHBondContact CB-OD2 3.39Å; T93-D128 PolarHBondContact N-OD2 3.24Å; T93-D128 PolarHBondContact OG1-OD2 2.58Å
94G82.9Confident92.4Very high54 Ų5433.5 Ų33.556%0.55719%0.189SC*.THydrogen-bonded Turntrans71.110.9175.800000114.6I92 D97I92-G94 PolarHBondContact O-N 3.36Å; G94-D97 PolarHBondContact N-OD2 2.74Å
95Y87.5Confident92.3Very high39 Ų3936.7 Ų36.715%0.15320%0.199CC..THydrogen-bonded Turntrans-128-51.8172.1171.8-95.9000110.6I92 T93 S99 F230 T232 E233 C234I92-Y95 HydrophobicContact CB-CD1 4.3Å; I92-Y95 HydrophobicContact CD1-CD1 4.3Å; I92-Y95 HydrophobicContact CG2-CD1 4.41Å; I92-Y95 HydrophobicContact CG2-CG 4.45Å; I92-Y95 PolarHBondContact O-N 3.46Å; T93-Y95 PolarHBondContact O-N 2.92Å; Y95-S99 VanDerWaalsContact O-CB 3.29Å; Y95-S99 WeakPolarHBondContact O-CB 3.49Å; Y95-S99 PolarHBondContact O-N 2.88Å; Y95-F230 AromaticContact CD2-CE1 3.76Å; Y95-F230 HydrophobicContact CD2-CE1 3.76Å; Y95-F230 HydrophobicContact CD2-CZ 4.3Å; Y95-F230 HydrophobicContact CE2-CD1 4.39Å; Y95-F230 AromaticContact CE2-CE1 3.6Å; Y95-F230 HydrophobicContact CE2-CE1 3.6Å; Y95-T232 VanDerWaalsContact CE2-O 3.29Å; Y95-T232 WeakPolarHBondContact CE2-O 3.49Å; Y95-E233 WeakPolarHBondContact CE2-O 3.16Å; Y95-C234 HydrophobicContact CE1-CB 4.16Å; Y95-C234 VanDerWaalsContact CE2-CA 3.47Å; Y95-C234 HydrophobicContact CE2-CB 4.06Å
96R88.8Confident92Very high6 Ų636.9 Ų36.92%0.02320%0.2CC..Hα-helixtrans-77.9-29.8-172-165.550173.2147.51.8112.3S58 S87 V88 D89 E90 I92 S99 L100S58-R96 PolarHBondContact O-NH1 3.26Å; S87-R96 PolarHBondContact OG-NH2 3.27Å; V88-R96 PolarHBondContact O-NE 3.37Å; V88-R96 PolarHBondContact O-NH2 3.45Å; D89-R96 VanDerWaalsContact OD1-CG 3.23Å; D89-R96 WeakPolarHBondContact OD1-CG 3.47Å; E90-R96 VanDerWaalsContact OE2-CD 3.26Å; E90-R96 WeakPolarHBondContact OE2-CD 3.35Å; E90-R96 IonicContact OE2-CZ 2.63Å; E90-R96 IonicContact OE2-NE 2.68Å; E90-R96 PolarHBondContact OE2-NE 3.42Å; I92-R96 HydrophobicContact CB-CB 4.41Å; I92-R96 PolarHBondContact O-N 3.45Å; R96-S99 PolarHBondContact NH1-OG 2.97Å; R96-S99 PolarHBondContact O-N 3.1Å; R96-L100 HydrophobicContact CG-CD1 4.06Å; R96-L100 HydrophobicContact CG-CG 4.11Å; R96-L100 WeakPolarHBondContact O-CB 3.37Å; R96-L100 VanDerWaalsContact O-CG 3.27Å; R96-L100 WeakPolarHBondContact O-CG 3.01Å; R96-L100 PolarHBondContact O-N 3.4Å
97D85.6Confident91.9Very high88 Ų8840.1 Ų40.147%0.47122%0.215SC..Hα-helixtrans-55.6-60.8176.4-54.3-52.7000110.9G94 S99 L100 E101G94-D97 PolarHBondContact N-OD2 2.74Å; D97-S99 VanDerWaalsContact C-N 3.27Å; D97-S99 PolarHBondContact O-N 3Å; D97-L100 PolarHBondContact O-N 2.78Å; D97-L100 VanDerWaalsContact O-N 3.11Å; D97-E101 PolarHBondContact O-N 3.38Å; D97-E101 VanDerWaalsContact O-N 3.08Å
98D83.7Confident91.8Very high77 Ų7747.1 Ų47.141%0.41225%0.248SC..Hα-helixtrans-57.9-40.3178.2-59.7-7.6000112.3L100 E101 T102 F230D98-L100 PolarHBondContact O-N 3.34Å; D98-E101 PolarHBondContact O-N 2.81Å; D98-T102 PolarHBondContact O-N 3.39Å; D98-T102 PolarHBondContact O-OG1 3.19Å; D98-F230 HydrophobicContact CB-CD2 4.01Å; D98-F230 HydrophobicContact CB-CE2 3.36Å; D98-F230 HydrophobicContact CB-CZ 3.86Å
99S88.8Confident91.6Very high1 Ų151.6 Ų51.61%0.00727%0.269CS..Hα-helixtrans-65.5-38.3179.6-179.60000112S58 Y95 R96 D97 T102 V103S58-S99 PolarHBondContact O-OG 2.84Å; Y95-S99 VanDerWaalsContact O-CB 3.29Å; Y95-S99 WeakPolarHBondContact O-CB 3.49Å; Y95-S99 PolarHBondContact O-N 2.88Å; R96-S99 PolarHBondContact NH1-OG 2.97Å; R96-S99 PolarHBondContact O-N 3.1Å; D97-S99 VanDerWaalsContact C-N 3.27Å; D97-S99 PolarHBondContact O-N 3Å; S99-T102 WeakPolarHBondContact O-CB 3.36Å; S99-T102 PolarHBondContact O-N 2.88Å; S99-V103 WeakPolarHBondContact O-CG2 3.21Å; S99-V103 PolarHBondContact O-N 3.28Å
100L92.3Very high91.4Very high14 Ų1450.3 Ų50.37%0.07326%0.261CS..Hα-helixtrans-71.4-33.1175.8-74.4173.5000112.4S87 D89 R96 D97 D98 T102 V103 K104 I116S87-L100 VanDerWaalsContact OG-CD2 3.29Å; S87-L100 WeakPolarHBondContact OG-CD2 3.29Å; D89-L100 HydrophobicContact CB-CD1 3.92Å; R96-L100 HydrophobicContact CG-CD1 4.06Å; R96-L100 HydrophobicContact CG-CG 4.11Å; R96-L100 WeakPolarHBondContact O-CB 3.37Å; R96-L100 VanDerWaalsContact O-CG 3.27Å; R96-L100 WeakPolarHBondContact O-CG 3.01Å; R96-L100 PolarHBondContact O-N 3.4Å; D97-L100 PolarHBondContact O-N 2.78Å; D97-L100 VanDerWaalsContact O-N 3.11Å; D98-L100 PolarHBondContact O-N 3.34Å; L100-T102 VanDerWaalsContact C-N 3.3Å; L100-T102 PolarHBondContact O-N 3.14Å; L100-V103 PolarHBondContact O-N 3.42Å; L100-K104 WeakPolarHBondContact O-CG 3.39Å; L100-K104 PolarHBondContact O-N 3.4Å; L100-I116 HydrophobicContact CD2-CD1 4.29Å; L100-I116 HydrophobicContact CD2-CG2 4.37Å
101E92.8Very high91.4Very high108 Ų10857.9 Ų57.951%0.50530%0.296SS..Hα-helixtrans-59.4-44.2171.8-65-167.8135.800111.3D97 D98 V103 K104 R105D97-E101 PolarHBondContact O-N 3.38Å; D97-E101 VanDerWaalsContact O-N 3.08Å; D98-E101 PolarHBondContact O-N 2.81Å; E101-V103 VanDerWaalsContact C-N 3.32Å; E101-V103 PolarHBondContact O-N 2.88Å; E101-K104 WeakPolarHBondContact O-CB 3.2Å; E101-K104 PolarHBondContact O-N 3.45Å; E101-K104 VanDerWaalsContact O-N 3.17Å; E101-R105 WeakPolarHBondContact O-CG 3.45Å; E101-R105 PolarHBondContact O-N 3.21Å
102T92.3Very high91.5Very high4 Ų457.3 Ų57.33%0.02529%0.288CS..Hα-helixtrans-59.3-42.3173.7-590000111.9D98 S99 L100 K104 R105 N106 D228 F230D98-T102 PolarHBondContact O-N 3.39Å; D98-T102 PolarHBondContact O-OG1 3.19Å; S99-T102 WeakPolarHBondContact O-CB 3.36Å; S99-T102 PolarHBondContact O-N 2.88Å; L100-T102 VanDerWaalsContact C-N 3.3Å; L100-T102 PolarHBondContact O-N 3.14Å; T102-K104 VanDerWaalsContact C-N 3.33Å; T102-K104 PolarHBondContact O-N 3.22Å; T102-R105 PolarHBondContact O-N 2.9Å; T102-R105 PolarHBondContact OG1-NH2 3.38Å; T102-N106 VanDerWaalsContact O-CG 3.29Å; T102-N106 PolarHBondContact O-N 3.44Å; T102-D228 WeakPolarHBondContact CG2-O 3.4Å; T102-F230 HydrophobicContact CG2-CB 4.48Å
103V93.7Very high91.7Very high0 Ų060.8 Ų60.80%031%0.311CS..Hα-helixtrans-62.8-39.8176.21770000111.6A57 G59 S99 L100 E101 N106 Q107 L114A57-V103 HydrophobicContact CB-CG1 3.95Å; A57-V103 HydrophobicContact CB-CG2 4.32Å; G59-V103 VanDerWaalsContact CA-CG2 3.47Å; S99-V103 WeakPolarHBondContact O-CG2 3.21Å; S99-V103 PolarHBondContact O-N 3.28Å; L100-V103 PolarHBondContact O-N 3.42Å; E101-V103 VanDerWaalsContact C-N 3.32Å; E101-V103 PolarHBondContact O-N 2.88Å; V103-N106 PolarHBondContact O-N 3.39Å; V103-Q107 PolarHBondContact O-N 2.83Å; V103-L114 HydrophobicContact CG1-CD1 3.61Å; V103-L114 HydrophobicContact CG1-CD2 3.83Å; V103-L114 HydrophobicContact CG1-CG 4.4Å
104K95.6Very high92Very high107 Ų10757.7 Ų57.747%0.46529%0.29SS..Hα-helixtrans-64.8-37.9174.6-69.4171.8-176.6173.20111.9L100 E101 T102 Q107 Q108 L114L100-K104 WeakPolarHBondContact O-CG 3.39Å; L100-K104 PolarHBondContact O-N 3.4Å; E101-K104 WeakPolarHBondContact O-CB 3.2Å; E101-K104 PolarHBondContact O-N 3.45Å; E101-K104 VanDerWaalsContact O-N 3.17Å; T102-K104 VanDerWaalsContact C-N 3.33Å; T102-K104 PolarHBondContact O-N 3.22Å; K104-Q107 WeakPolarHBondContact O-CB 3.29Å; K104-Q107 PolarHBondContact O-N 2.94Å; K104-Q108 PolarHBondContact O-N 2.83Å; K104-L114 HydrophobicContact CG-CD2 4.32Å
105R94.8Very high92.7Very high93 Ų9358.7 Ų58.735%0.35128%0.279SS..Hα-helixtrans-66.9-41173.4-66.6-169.9-54.6-91.9-1111.6E101 T102 Q107 Q108 Q109 D228E101-R105 WeakPolarHBondContact O-CG 3.45Å; E101-R105 PolarHBondContact O-N 3.21Å; T102-R105 PolarHBondContact O-N 2.9Å; T102-R105 PolarHBondContact OG1-NH2 3.38Å; R105-Q107 VanDerWaalsContact C-N 3.33Å; R105-Q107 PolarHBondContact O-N 3.17Å; R105-Q108 PolarHBondContact O-N 3.37Å; R105-Q109 WeakPolarHBondContact O-CB 3.46Å; R105-Q109 PolarHBondContact O-N 3.22Å; R105-D228 IonicContact CZ-OD1 2.88Å; R105-D228 IonicContact CZ-OD2 3.53Å; R105-D228 IonicContact NE-OD1 3.76Å; R105-D228 IonicContact NE-OD2 3.22Å; R105-D228 PolarHBondContact NE-OD2 3Å; R105-D228 IonicContact NH2-OD1 2.67Å; R105-D228 PolarHBondContact NH2-OD1 2.95Å; R105-D228 IonicContact NH2-OD2 2.78Å; R105-D228 PolarHBondContact NH2-OD2 2.96Å
106N92.1Very high93.2Very high4 Ų459.3 Ų59.32%0.02129%0.285CS..Hα-helixtrans-61.5-39.5173.4-68.2172.1000112.1T64 T102 V103 Q108 Q109 Y110 D228T64-N106 PolarHBondContact OG1-OD1 2.69Å; T102-N106 VanDerWaalsContact O-CG 3.29Å; T102-N106 PolarHBondContact O-N 3.44Å; V103-N106 PolarHBondContact O-N 3.39Å; N106-Q108 VanDerWaalsContact C-N 3.33Å; N106-Q108 PolarHBondContact O-N 3.33Å; N106-Q109 PolarHBondContact O-N 3Å; N106-Y110 HydrophobicContact CB-CD2 3.98Å; N106-Y110 HydrophobicContact CB-CE2 3.82Å; N106-Y110 WeakPolarHBondContact O-CB 3.34Å; N106-Y110 WeakPolarHBondContact O-CD2 3.43Å; N106-Y110 PolarHBondContact O-N 3.48Å; N106-D228 PolarHBondContact ND2-O 3.31Å
107Q95.7Very high93.5Very high70 Ų7059.3 Ų59.333%0.32729%0.285SS..Hα-helixtrans-55.3-48.6173.5-177.9-155.3-24.400111.2L85 V103 K104 R105 E111 L112 L114L85-Q107 HydrophobicContact CD1-CB 4.3Å; V103-Q107 PolarHBondContact O-N 2.83Å; K104-Q107 WeakPolarHBondContact O-CB 3.29Å; K104-Q107 PolarHBondContact O-N 2.94Å; R105-Q107 VanDerWaalsContact C-N 3.33Å; R105-Q107 PolarHBondContact O-N 3.17Å; Q107-E111 WeakPolarHBondContact O-CA 3.29Å; Q107-E111 PolarHBondContact O-N 3.22Å; Q107-L112 WeakPolarHBondContact CG-O 3.42Å; Q107-L112 PolarHBondContact O-N 3.5Å; Q107-L114 HydrophobicContact CB-CB 4.09Å; Q107-L114 HydrophobicContact CB-CD2 4.21Å; Q107-L114 HydrophobicContact CG-CB 3.63Å; Q107-L114 HydrophobicContact CG-CD2 4.48Å
108Q95.1Very high94.1Very high147 Ų14755.7 Ų55.769%0.68727%0.267SS*.Hα-helixtrans-67.4-45.8179.3-67.3174.6-3.100111.6K104 R105 N106 Y110 E111K104-Q108 PolarHBondContact O-N 2.83Å; R105-Q108 PolarHBondContact O-N 3.37Å; N106-Q108 VanDerWaalsContact C-N 3.33Å; N106-Q108 PolarHBondContact O-N 3.33Å; Q108-Y110 VanDerWaalsContact C-N 3.33Å; Q108-Y110 PolarHBondContact O-N 2.87Å; Q108-E111 PolarHBondContact O-N 3.34Å
109Q92.5Very high94.7Very high99 Ų9952 Ų5246%0.46325%0.247SC..Hα-helixtrans-63.9-36.3-177-176.7-179.7-4.600113.2R105 N106R105-Q109 WeakPolarHBondContact O-CB 3.46Å; R105-Q109 PolarHBondContact O-N 3.22Å; N106-Q109 PolarHBondContact O-N 3Å
110Y93.4Very high95.1Very high13 Ų1358.3 Ų58.35%0.05128%0.277CS..Hα-helixtrans-102.3-2.1-176.8-54.2-49.5000113.5T64 A67 H68 K71 N106 Q108 L112T64-Y110 HydrophobicContact CG2-CE2 4.47Å; A67-Y110 HydrophobicContact CB-CD2 4.29Å; A67-Y110 HydrophobicContact CB-CE2 4.34Å; H68-Y110 HydrophobicContact CB-CE1 4.12Å; H68-Y110 AromaticContact ND1-CE1 3.61Å; K71-Y110 WeakPolarHBondContact CE-O 3.28Å; N106-Y110 HydrophobicContact CB-CD2 3.98Å; N106-Y110 HydrophobicContact CB-CE2 3.82Å; N106-Y110 WeakPolarHBondContact O-CB 3.34Å; N106-Y110 WeakPolarHBondContact O-CD2 3.43Å; N106-Y110 PolarHBondContact O-N 3.48Å; Q108-Y110 VanDerWaalsContact C-N 3.33Å; Q108-Y110 PolarHBondContact O-N 2.87Å; Y110-L112 WeakPolarHBondContact O-CG 3.41Å; Y110-L112 PolarHBondContact O-N 3.17Å
111E95.4Very high95.2Very high165 Ų16564.9 Ų64.977%0.77131%0.307SS*.THydrogen-bonded Turntrans52.940-178.3-57.6178.9168.400112.6Q107 Q108Q107-E111 WeakPolarHBondContact O-CA 3.29Å; Q107-E111 PolarHBondContact O-N 3.22Å; Q108-E111 PolarHBondContact O-N 3.34Å
112L96Very high95.3Very high9 Ų961.4 Ų61.45%0.04729%0.292CS..  trans-104.3132.9-179.9-61.2-176.2000109.8K71 L83 L85 Q107 Y110K71-L112 HydrophobicContact CD-CD2 4.29Å; L83-L112 HydrophobicContact CB-CD1 4.38Å; L83-L112 HydrophobicContact CB-CD2 3.77Å; L85-L112 HydrophobicContact CD1-CB 4.37Å; L85-L112 HydrophobicContact CD2-CD1 3.92Å; L85-L112 HydrophobicContact CG-CB 3.97Å; L85-L112 HydrophobicContact CG-CD1 4.3Å; Q107-L112 WeakPolarHBondContact CG-O 3.42Å; Q107-L112 PolarHBondContact O-N 3.5Å; Y110-L112 WeakPolarHBondContact O-CG 3.41Å; Y110-L112 PolarHBondContact O-N 3.17Å
113P96.9Very high95.4Very high75 Ų7562 Ų6249%0.48729%0.293SS..  trans-55.9141.5172.8-24.333.8000111.4M84 L85M84-P113 CarbonylContact C-O 3.49Å; M84-P113 WeakPolarHBondContact CA-O 3.3Å; M84-P113 HydrophobicContact CB-CB 4.22Å; M84-P113 HydrophobicContact CE-CB 4.45Å; L85-P113 PolarHBondContact N-O 3.34Å
114L97.1Very high95.5Very high38 Ų3864.8 Ų64.820%0.19932%0.322CS..EExtended strand (participates in β ladder)trans-121.7130.4179.9171.565.9000111L85 V103 K104 Q107 I116L85-L114 HydrophobicContact CB-CB 4.3Å; L85-L114 HydrophobicContact CB-CD1 3.6Å; L85-L114 WeakPolarHBondContact O-CA 3.41Å; V103-L114 HydrophobicContact CG1-CD1 3.61Å; V103-L114 HydrophobicContact CG1-CD2 3.83Å; V103-L114 HydrophobicContact CG1-CG 4.4Å; K104-L114 HydrophobicContact CG-CD2 4.32Å; Q107-L114 HydrophobicContact CB-CB 4.09Å; Q107-L114 HydrophobicContact CB-CD2 4.21Å; Q107-L114 HydrophobicContact CG-CB 3.63Å; Q107-L114 HydrophobicContact CG-CD2 4.48Å; L114-I116 HydrophobicContact CD1-CG1 4.3Å; L114-I116 HydrophobicContact CD2-CD1 4.13Å; L114-I116 HydrophobicContact CD2-CG1 4.11Å; L114-I116 HydrophobicContact CG-CG1 4.1Å
115K97Very high95.6Very high76 Ų7662 Ų6233%0.3331%0.309SS..EExtended strand (participates in β ladder)trans-113.4123.7164.7-178.663178.8173.70110.2L85 I86 S87 V117 L158L85-K115 PolarHBondContact O-N 2.92Å; I86-K115 WeakPolarHBondContact CA-O 3.47Å; S87-K115 PolarHBondContact N-O 3.21Å; K115-V117 HydrophobicContact CG-CG1 4.25Å; K115-L158 HydrophobicContact CB-CD1 3.39Å; K115-L158 HydrophobicContact CB-CD2 4.02Å; K115-L158 HydrophobicContact CB-CG 4.07Å; K115-L158 HydrophobicContact CG-CD1 3.96Å; K115-L158 HydrophobicContact CG-CD2 4.21Å; K115-L158 HydrophobicContact CG-CG 4.2Å
116I97.1Very high95.7Very high52 Ų5259.1 Ų59.127%0.26730%0.302SS..EExtended strand (participates in β ladder)trans-98.8134.5168.1-57.3169.4000107.8S87 D89 L100 L114S87-I116 WeakPolarHBondContact O-CA 3.38Å; D89-I116 HydrophobicContact CB-CG2 4.06Å; L100-I116 HydrophobicContact CD2-CD1 4.29Å; L100-I116 HydrophobicContact CD2-CG2 4.37Å; L114-I116 HydrophobicContact CD1-CG1 4.3Å; L114-I116 HydrophobicContact CD2-CD1 4.13Å; L114-I116 HydrophobicContact CD2-CG1 4.11Å; L114-I116 HydrophobicContact CG-CG1 4.1Å
117V96.5Very high95.8Very high5 Ų559 Ų593%0.0330%0.302CS..EExtended strand (participates in β ladder)trans-122.6133.6169.4-65.80000108.7S87 V88 D89 K115 L122 A150 M157S87-V117 PolarHBondContact O-N 3.17Å; V88-V117 CarbonylContact C-O 3.59Å; V88-V117 VanDerWaalsContact CA-O 3.29Å; V88-V117 WeakPolarHBondContact CA-O 3.28Å; V88-V117 HydrophobicContact CB-CG2 4.49Å; V88-V117 HydrophobicContact CG2-CG2 3.94Å; D89-V117 PolarHBondContact N-O 3.44Å; K115-V117 HydrophobicContact CG-CG1 4.25Å; V117-L122 HydrophobicContact CB-CD1 4.09Å; V117-L122 HydrophobicContact CG2-CD1 4.27Å; V117-A150 HydrophobicContact CG2-CB 4.14Å; V117-M157 HydrophobicContact CG1-SD 4.37Å
118S97Very high95.8Very high13 Ų1356.6 Ų56.69%0.09129%0.291CS..EExtended strand (participates in β ladder)trans-104.9152.1-176.770.20000112.8D89 E120 E121 L122D89-S118 CarbonylContact O-C 3.56Å; D89-S118 VanDerWaalsContact O-CA 3.32Å; D89-S118 WeakPolarHBondContact O-CA 3.47Å; S118-E120 VanDerWaalsContact C-N 3.3Å; S118-E121 PolarHBondContact N-OE2 3.5Å; S118-E121 WeakPolarHBondContact OG-CB 3.4Å; S118-E121 WeakPolarHBondContact OG-CG 3.47Å; S118-E121 PolarHBondContact OG-N 3.48Å; S118-E121 VanDerWaalsContact OG-N 3.08Å; S118-E121 PolarHBondContact OG-OE2 3.11Å; S118-L122 VanDerWaalsContact O-CB 3.3Å; S118-L122 WeakPolarHBondContact O-CB 3.45Å; S118-L122 WeakPolarHBondContact O-CG 3.41Å; S118-L122 PolarHBondContact O-N 2.85Å; S118-L122 VanDerWaalsContact O-N 3.11Å
119Y96.8Very high95.8Very high0 Ų051 Ų510%027%0.269CS..Hα-helixtrans-67.2-34.6171.7-75.93.6000112.3V88 D89 E90 L122 Y123 G124 W125 M127 C143 F146 R147 A150V88-Y119 HydrophobicContact CG1-CD1 3.84Å; V88-Y119 HydrophobicContact CG1-CE1 3.39Å; D89-Y119 PolarHBondContact O-N 2.93Å; E90-Y119 HydrophobicContact CB-CD2 4.07Å; E90-Y119 HydrophobicContact CB-CE2 3.86Å; E90-Y119 HydrophobicContact CG-CD2 4.29Å; E90-Y119 HydrophobicContact CG-CE1 4.17Å; E90-Y119 HydrophobicContact CG-CE2 3.67Å; Y119-L122 PolarHBondContact O-N 2.93Å; Y119-Y123 AromaticContact CD1-CD2 3.98Å; Y119-Y123 HydrophobicContact CD1-CD2 3.98Å; Y119-Y123 AromaticContact CD1-CE2 3.67Å; Y119-Y123 HydrophobicContact CD1-CE2 3.67Å; Y119-Y123 HydrophobicContact CE1-CE2 4.06Å; Y119-Y123 HydrophobicContact CG-CD2 4.02Å; Y119-Y123 HydrophobicContact CG-CE2 4.18Å; Y119-Y123 WeakPolarHBondContact O-CA 3.27Å; Y119-Y123 WeakPolarHBondContact O-CB 3.26Å; Y119-Y123 PolarHBondContact O-N 2.89Å; Y119-G124 PolarHBondContact O-N 3.3Å; Y119-W125 CarbonylContact C-O 3.56Å; Y119-W125 WeakPolarHBondContact CB-O 3.39Å; Y119-M127 HydrophobicContact CD2-CG 3.82Å; Y119-M127 HydrophobicContact CD2-SD 4.24Å; Y119-M127 HydrophobicContact CE2-CG 3.59Å; Y119-M127 HydrophobicContact CE2-SD 3.76Å; Y119-C143 PolarHBondContact OH-O 3.42Å; Y119-F146 HydrophobicContact CD1-CB 4.48Å; Y119-F146 HydrophobicContact CE1-CB 3.85Å; Y119-F146 HydrophobicContact CE2-CB 3.94Å; Y119-F146 HydrophobicContact CE2-CD2 4.48Å; Y119-R147 WeakPolarHBondContact OH-CA 3.25Å; Y119-R147 VanDerWaalsContact OH-CB 3.22Å; Y119-R147 WeakPolarHBondContact OH-CB 2.98Å; Y119-R147 PolarHBondContact OH-N 2.92Å; Y119-A150 HydrophobicContact CE1-CB 4.22Å
120E96.3Very high95.9Very high132 Ų13246.3 Ų46.362%0.61725%0.247SC*.Hα-helixtrans-59.8-49.7177.4-174.2167.6-155.100111S118 G124 W125 T126S118-E120 VanDerWaalsContact C-N 3.3Å; E120-G124 WeakPolarHBondContact O-CA 3.39Å; E120-G124 PolarHBondContact O-N 3.08Å; E120-W125 PolarHBondContact N-O 3.19Å; E120-T126 HydrophobicContact CB-CG2 4.2Å
121E95.6Very high95.9Very high152 Ų15246.2 Ų46.271%0.7125%0.248SC*.Hα-helixtrans-67.5-39.9177.3-67.5162.9152.700112.5S118S118-E121 PolarHBondContact N-OE2 3.5Å; S118-E121 WeakPolarHBondContact OG-CB 3.4Å; S118-E121 WeakPolarHBondContact OG-CG 3.47Å; S118-E121 PolarHBondContact OG-N 3.48Å; S118-E121 VanDerWaalsContact OG-N 3.08Å; S118-E121 PolarHBondContact OG-OE2 3.11Å
122L94.4Very high95.8Very high35 Ų3547.1 Ų47.118%0.18325%0.25CC..Hα-helixtrans-80.6-27.7-172.4-69.6-176.4000114.2V117 S118 Y119 A150 R153V117-L122 HydrophobicContact CB-CD1 4.09Å; V117-L122 HydrophobicContact CG2-CD1 4.27Å; S118-L122 VanDerWaalsContact O-CB 3.3Å; S118-L122 WeakPolarHBondContact O-CB 3.45Å; S118-L122 WeakPolarHBondContact O-CG 3.41Å; S118-L122 PolarHBondContact O-N 2.85Å; S118-L122 VanDerWaalsContact O-N 3.11Å; Y119-L122 PolarHBondContact O-N 2.93Å; L122-A150 HydrophobicContact CD1-CB 3.56Å; L122-R153 PolarHBondContact O-NH1 3.17Å
123Y94.9Very high95.5Very high16 Ų1649 Ų496%0.06326%0.258CS..Hα-helixtrans-133.9-14.5-169.3-49.3-58.3000113.6Y119 W125 F146 A150 L302Y119-Y123 AromaticContact CD1-CD2 3.98Å; Y119-Y123 HydrophobicContact CD1-CD2 3.98Å; Y119-Y123 AromaticContact CD1-CE2 3.67Å; Y119-Y123 HydrophobicContact CD1-CE2 3.67Å; Y119-Y123 HydrophobicContact CE1-CE2 4.06Å; Y119-Y123 HydrophobicContact CG-CD2 4.02Å; Y119-Y123 HydrophobicContact CG-CE2 4.18Å; Y119-Y123 WeakPolarHBondContact O-CA 3.27Å; Y119-Y123 WeakPolarHBondContact O-CB 3.26Å; Y119-Y123 PolarHBondContact O-N 2.89Å; Y123-W125 VanDerWaalsContact C-N 3.26Å; Y123-W125 VanDerWaalsContact O-CD1 3.29Å; Y123-F146 HydrophobicContact CD2-CB 4.23Å; Y123-F146 HydrophobicContact CD2-CD2 4.36Å; Y123-F146 HydrophobicContact CD2-CG 4.22Å; Y123-F146 HydrophobicContact CE2-CB 3.67Å; Y123-F146 HydrophobicContact CE2-CG 4.06Å; Y123-F146 PolarHBondContact OH-O 2.79Å; Y123-A150 HydrophobicContact CE2-CB 4.48Å; Y123-A150 PolarHBondContact OH-N 3.35Å; Y123-A150 VanDerWaalsContact OH-N 3.17Å; Y123-L302 HydrophobicContact CD1-CD2 4.45Å; Y123-L302 WeakPolarHBondContact O-CD1 3.23Å
124G96.3Very high95Very high59 Ų5946.2 Ų46.261%0.60824%0.24SC*.SBendtrans74.516.1-172.300000113.7Y119 E120Y119-G124 PolarHBondContact O-N 3.3Å; E120-G124 WeakPolarHBondContact O-CA 3.39Å; E120-G124 PolarHBondContact O-N 3.08Å
125W96.4Very high94.6Very high48 Ų4845.8 Ų45.818%0.18225%0.245CC..  trans-137.4133.9-176-73.790.1000110.4Y119 E120 Y123 A129 I130 L305 N306Y119-W125 CarbonylContact C-O 3.56Å; Y119-W125 WeakPolarHBondContact CB-O 3.39Å; E120-W125 PolarHBondContact N-O 3.19Å; Y123-W125 VanDerWaalsContact C-N 3.26Å; Y123-W125 VanDerWaalsContact O-CD1 3.29Å; W125-A129 HydrophobicContact CE3-CB 3.74Å; W125-A129 HydrophobicContact CZ3-CB 4.12Å; W125-I130 HydrophobicContact CB-CD1 4.09Å; W125-I130 HydrophobicContact CB-CG1 4.01Å; W125-I130 HydrophobicContact CD2-CG1 4.46Å; W125-I130 HydrophobicContact CE3-CG1 4.1Å; W125-I130 HydrophobicContact CG-CG1 4.44Å; W125-L305 HydrophobicContact CD2-CB 4.33Å; W125-L305 HydrophobicContact CD2-CD1 4.29Å; W125-L305 HydrophobicContact CG-CD1 4.29Å; W125-L305 HydrophobicContact CH2-CB 4.37Å; W125-L305 HydrophobicContact CZ2-CB 3.8Å; W125-N306 PolarHBondContact NE1-OD1 3.34Å
126T97Very high94Very high34 Ų3446.8 Ų46.821%0.20925%0.253CS..  trans-89.6162162.463.70000110.4E120 D128 A129 I130E120-T126 HydrophobicContact CB-CG2 4.2Å; T126-D128 VanDerWaalsContact C-N 3.25Å; T126-D128 PolarHBondContact O-N 3.34Å; T126-A129 PolarHBondContact O-N 3.28Å; T126-A129 WeakPolarHBondContact OG1-CB 3.39Å; T126-A129 PolarHBondContact OG1-N 2.93Å; T126-A129 VanDerWaalsContact OG1-N 3.14Å; T126-I130 VanDerWaalsContact O-CG1 3.29Å; T126-I130 WeakPolarHBondContact O-CG1 3.36Å; T126-I130 PolarHBondContact O-N 3.34Å
127M95.4Very high93.3Very high2 Ų250.1 Ų50.11%0.0127%0.266CS..Hα-helixtrans-62.1-35.1172.9-85-56.1-51.500112.3E90 I92 Y119 I130 V131 N139 C143E90-M127 HydrophobicContact CB-CB 4.31Å; E90-M127 HydrophobicContact CB-CG 3.69Å; E90-M127 HydrophobicContact CG-CG 4.4Å; E90-M127 WeakPolarHBondContact O-CB 3.4Å; E90-M127 PolarHBondContact O-N 3.27Å; I92-M127 HydrophobicContact CD1-CB 4.16Å; I92-M127 HydrophobicContact CD1-CG 4.42Å; I92-M127 HydrophobicContact CG1-CB 3.55Å; I92-M127 HydrophobicContact CG1-CG 4.22Å; Y119-M127 HydrophobicContact CD2-CG 3.82Å; Y119-M127 HydrophobicContact CD2-SD 4.24Å; Y119-M127 HydrophobicContact CE2-CG 3.59Å; Y119-M127 HydrophobicContact CE2-SD 3.76Å; M127-I130 HydrophobicContact CE-CG2 4.49Å; M127-I130 PolarHBondContact O-N 3Å; M127-I130 HydrophobicContact SD-CD1 3.84Å; M127-V131 HydrophobicContact CE-CG2 4.21Å; M127-V131 WeakPolarHBondContact O-CG2 3.48Å; M127-V131 PolarHBondContact O-N 3.4Å; M127-N139 HydrophobicContact CE-CB 4.3Å; M127-C143 HydrophobicContact CE-CB 3.73Å; M127-C143 HydrophobicContact CG-CB 4.41Å; M127-C143 HydrophobicContact SD-CB 3.54Å; M127-C143 VanDerWaalsContact SD-CB 3.54Å
128D95.2Very high92.7Very high19 Ų1954.2 Ų54.210%0.10229%0.287CS..Hα-helixtrans-62.5-42.8174.6-69.2-6.2000111.5G91 I92 T93 T126 V131 K132 Y236G91-D128 PolarHBondContact O-N 3.46Å; I92-D128 WeakPolarHBondContact CA-OD1 3.49Å; T93-D128 VanDerWaalsContact CB-OD2 3.23Å; T93-D128 WeakPolarHBondContact CB-OD2 3.39Å; T93-D128 PolarHBondContact N-OD2 3.24Å; T93-D128 PolarHBondContact OG1-OD2 2.58Å; T126-D128 VanDerWaalsContact C-N 3.25Å; T126-D128 PolarHBondContact O-N 3.34Å; D128-V131 PolarHBondContact O-N 3.4Å; D128-K132 VanDerWaalsContact O-CG 3.3Å; D128-K132 WeakPolarHBondContact O-CG 3.44Å; D128-K132 PolarHBondContact O-N 3.28Å; D128-Y236 WeakPolarHBondContact OD1-CE2 3.23Å; D128-Y236 PolarHBondContact OD1-OH 2.93Å; D128-Y236 VanDerWaalsContact OD1-OH 3.11Å
129A95.3Very high92.4Very high29 Ų2953.7 Ų53.724%0.2428%0.284CS..Hα-helixtrans-64.3-40.7175.100000112.1W125 T126 K132 Q133W125-A129 HydrophobicContact CE3-CB 3.74Å; W125-A129 HydrophobicContact CZ3-CB 4.12Å; T126-A129 PolarHBondContact O-N 3.28Å; T126-A129 WeakPolarHBondContact OG1-CB 3.39Å; T126-A129 PolarHBondContact OG1-N 2.93Å; T126-A129 VanDerWaalsContact OG1-N 3.14Å; A129-K132 PolarHBondContact O-N 3.11Å; A129-Q133 PolarHBondContact O-N 3.37Å
130I94.1Very high92.1Very high0 Ų056 Ų560%030%0.299CS..Hα-helixtrans-61.6-48.7175.3-68163.8000110.1W125 T126 M127 K132 Q133 V134 F142 F146 L305W125-I130 HydrophobicContact CB-CD1 4.09Å; W125-I130 HydrophobicContact CB-CG1 4.01Å; W125-I130 HydrophobicContact CD2-CG1 4.46Å; W125-I130 HydrophobicContact CE3-CG1 4.1Å; W125-I130 HydrophobicContact CG-CG1 4.44Å; T126-I130 VanDerWaalsContact O-CG1 3.29Å; T126-I130 WeakPolarHBondContact O-CG1 3.36Å; T126-I130 PolarHBondContact O-N 3.34Å; M127-I130 HydrophobicContact CE-CG2 4.49Å; M127-I130 PolarHBondContact O-N 3Å; M127-I130 HydrophobicContact SD-CD1 3.84Å; I130-K132 VanDerWaalsContact C-N 3.32Å; I130-K132 PolarHBondContact O-N 3.45Å; I130-Q133 PolarHBondContact O-N 2.85Å; I130-V134 HydrophobicContact CG2-CG1 4.08Å; I130-V134 HydrophobicContact CG2-CG2 4Å; I130-V134 WeakPolarHBondContact O-CG1 3.35Å; I130-V134 WeakPolarHBondContact O-CG2 3.28Å; I130-V134 PolarHBondContact O-N 3.01Å; I130-F142 HydrophobicContact CG2-CB 3.97Å; I130-F142 HydrophobicContact CG2-CD1 4.2Å; I130-F142 HydrophobicContact CG2-CD2 4.32Å; I130-F142 HydrophobicContact CG2-CG 3.92Å; I130-F146 HydrophobicContact CD1-CD2 3.88Å; I130-F146 HydrophobicContact CD1-CE2 3.67Å; I130-L305 HydrophobicContact CD1-CD1 4.25Å; I130-L305 HydrophobicContact CG1-CD1 3.86Å; I130-L305 HydrophobicContact CG1-CD2 4.44Å; I130-L305 HydrophobicContact CG2-CD2 4.3Å
131V93Very high91.8Very high12 Ų1252.4 Ų52.47%0.07329%0.287CS..Hα-helixtrans-62.3-39.3-179.5170.70000111.5M127 D128 Q133 V134 G135 L136 N139 Y236M127-V131 HydrophobicContact CE-CG2 4.21Å; M127-V131 WeakPolarHBondContact O-CG2 3.48Å; M127-V131 PolarHBondContact O-N 3.4Å; D128-V131 PolarHBondContact O-N 3.4Å; V131-Q133 PolarHBondContact O-N 3.24Å; V131-V134 PolarHBondContact O-N 2.84Å; V131-G135 VanDerWaalsContact O-CA 3.28Å; V131-G135 WeakPolarHBondContact O-CA 3.3Å; V131-G135 PolarHBondContact O-N 2.85Å; V131-L136 HydrophobicContact CG1-CD2 3.84Å; V131-N139 HydrophobicContact CG2-CB 3.7Å; V131-Y236 HydrophobicContact CB-CE1 4.28Å; V131-Y236 HydrophobicContact CB-CE2 4.25Å; V131-Y236 HydrophobicContact CG1-CD1 4.26Å; V131-Y236 HydrophobicContact CG1-CE1 3.76Å; V131-Y236 HydrophobicContact CG2-CD1 4.16Å; V131-Y236 HydrophobicContact CG2-CD2 3.78Å; V131-Y236 HydrophobicContact CG2-CE1 4.1Å; V131-Y236 HydrophobicContact CG2-CE2 3.69Å; V131-Y236 HydrophobicContact CG2-CG 4.01Å
132K92.4Very high91.7Very high184 Ų18445.2 Ų45.280%0.825%0.253SS*.Hα-helixtrans-56.7-33.5172.9-74.4171.6-175.8176.70112.5D128 A129 I130D128-K132 VanDerWaalsContact O-CG 3.3Å; D128-K132 WeakPolarHBondContact O-CG 3.44Å; D128-K132 PolarHBondContact O-N 3.28Å; A129-K132 PolarHBondContact O-N 3.11Å; I130-K132 VanDerWaalsContact C-N 3.32Å; I130-K132 PolarHBondContact O-N 3.45Å
133Q89.9Confident91.7Very high47 Ų4744.1 Ų44.122%0.2225%0.248CC..Hα-helixtrans-89.2-36.5-178.7-163.8179.626.300113.9A129 I130 V131 L305A129-Q133 PolarHBondContact O-N 3.37Å; I130-Q133 PolarHBondContact O-N 2.85Å; V131-Q133 PolarHBondContact O-N 3.24Å; Q133-L305 PolarHBondContact NE2-O 3.34Å
134V87.9Confident91.6Very high18 Ų1844.8 Ų44.811%0.10926%0.259CS..Hα-helixtrans-103.5-14.9-171.4-45.50000113.9I130 V131 N139 F142 L305 P310I130-V134 HydrophobicContact CG2-CG1 4.08Å; I130-V134 HydrophobicContact CG2-CG2 4Å; I130-V134 WeakPolarHBondContact O-CG1 3.35Å; I130-V134 WeakPolarHBondContact O-CG2 3.28Å; I130-V134 PolarHBondContact O-N 3.01Å; V131-V134 PolarHBondContact O-N 2.84Å; V134-N139 HydrophobicContact CG2-CB 4.09Å; V134-F142 HydrophobicContact CB-CE2 4.23Å; V134-F142 HydrophobicContact CG1-CE1 4.4Å; V134-F142 HydrophobicContact CG1-CE2 3.91Å; V134-F142 HydrophobicContact CG1-CZ 3.82Å; V134-F142 HydrophobicContact CG2-CD2 4.4Å; V134-F142 HydrophobicContact CG2-CE2 4.21Å; V134-L305 HydrophobicContact CG1-CD2 3.73Å; V134-P310 HydrophobicContact CB-CB 4.22Å; V134-P310 HydrophobicContact CG1-CB 3.45Å; V134-P310 VanDerWaalsContact CG1-CB 3.45Å; V134-P310 HydrophobicContact CG1-CG 4.37Å
135G87.5Confident91.4Very high29 Ų2942.6 Ų42.630%0.29923%0.234SC..  trans80.4-175.5-173.900000114.3V131 K137V131-G135 VanDerWaalsContact O-CA 3.28Å; V131-G135 WeakPolarHBondContact O-CA 3.3Å; V131-G135 PolarHBondContact O-N 2.85Å; G135-K137 VanDerWaalsContact C-N 3.3Å; G135-K137 PolarHBondContact O-N 3.25Å
136L84.8Confident91.4Very high97 Ų9740.3 Ų40.351%0.50823%0.226SC..SBendtrans-78.7-11.2-175.8-63.7175.1000114.1V131 N139 Y236V131-L136 HydrophobicContact CG1-CD2 3.84Å; L136-N139 VanDerWaalsContact C-ND2 3.31Å; L136-N139 WeakPolarHBondContact CA-ND2 3.38Å; L136-N139 PolarHBondContact O-ND2 3.12Å; L136-Y236 HydrophobicContact CD2-CD1 3.96Å; L136-Y236 HydrophobicContact CD2-CE1 4.1Å
137K82.3Confident91.3Very high121 Ų12143.2 Ų43.253%0.52623%0.233SC..SBendtrans-93.5139.6176-68.4179.7-179.4171.60109.4G135 N139G135-K137 VanDerWaalsContact C-N 3.3Å; G135-K137 PolarHBondContact O-N 3.25Å; K137-N139 PolarHBondContact O-N 3.17Å
138N83.6Confident91.1Very high91 Ų9149.7 Ų49.749%0.48726%0.257SS..SBendtrans63.9-1.6177.5-55.2-50.7000117.2C140 T141 I314N138-C140 PolarHBondContact O-N 3.24Å; N138-C140 VanDerWaalsContact O-N 3.17Å; N138-T141 WeakPolarHBondContact O-CB 3.41Å; N138-T141 PolarHBondContact O-N 2.89Å; N138-T141 PolarHBondContact O-OG1 2.81Å; N138-I314 HydrophobicContact CB-CD1 4.11Å; N138-I314 HydrophobicContact CB-CG2 4.43Å
139N90.4Very high91Very high3 Ų349.3 Ų49.32%0.01626%0.255CS..Hα-helixtrans-54.4-35.8177.262.952.2000113.1M127 V131 V134 L136 K137 T141 F142 C143M127-N139 HydrophobicContact CE-CB 4.3Å; V131-N139 HydrophobicContact CG2-CB 3.7Å; V134-N139 HydrophobicContact CG2-CB 4.09Å; L136-N139 VanDerWaalsContact C-ND2 3.31Å; L136-N139 WeakPolarHBondContact CA-ND2 3.38Å; L136-N139 PolarHBondContact O-ND2 3.12Å; K137-N139 PolarHBondContact O-N 3.17Å; N139-T141 PolarHBondContact O-N 2.73Å; N139-T141 VanDerWaalsContact O-N 3.1Å; N139-F142 WeakPolarHBondContact O-CB 3.33Å; N139-F142 PolarHBondContact O-N 2.72Å; N139-C143 PolarHBondContact O-N 3.37Å
140C90.6Very high91Very high48 Ų4847.9 Ų47.932%0.32424%0.243SC..Hα-helixtrans-63.3-20.4178.2-74.20000112.5N138 G144N138-C140 PolarHBondContact O-N 3.24Å; N138-C140 VanDerWaalsContact O-N 3.17Å; C140-G144 PolarHBondContact O-N 2.83Å
141T90.7Very high91Very high57 Ų5748.5 Ų48.535%0.3525%0.246SC..Hα-helixtrans-68.5-43.4171.5-55.80000110.9N138 N139 V145N138-T141 WeakPolarHBondContact O-CB 3.41Å; N138-T141 PolarHBondContact O-N 2.89Å; N138-T141 PolarHBondContact O-OG1 2.81Å; N139-T141 PolarHBondContact O-N 2.73Å; N139-T141 VanDerWaalsContact O-N 3.1Å; T141-V145 WeakPolarHBondContact O-CB 3.25Å; T141-V145 WeakPolarHBondContact O-CG2 3.18Å; T141-V145 PolarHBondContact O-N 2.89Å; T141-V145 VanDerWaalsContact O-N 3.16Å
142F93.5Very high90.9Very high0 Ų049.3 Ų49.30%025%0.25CS..Hα-helixtrans-64.3-53.3174.9-67.7-99.9000110I130 V134 N139 G144 V145 F146 L301 L305 P310 I314I130-F142 HydrophobicContact CG2-CB 3.97Å; I130-F142 HydrophobicContact CG2-CD1 4.2Å; I130-F142 HydrophobicContact CG2-CD2 4.32Å; I130-F142 HydrophobicContact CG2-CG 3.92Å; V134-F142 HydrophobicContact CB-CE2 4.23Å; V134-F142 HydrophobicContact CG1-CE1 4.4Å; V134-F142 HydrophobicContact CG1-CE2 3.91Å; V134-F142 HydrophobicContact CG1-CZ 3.82Å; V134-F142 HydrophobicContact CG2-CD2 4.4Å; V134-F142 HydrophobicContact CG2-CE2 4.21Å; N139-F142 WeakPolarHBondContact O-CB 3.33Å; N139-F142 PolarHBondContact O-N 2.72Å; F142-G144 PolarHBondContact O-N 2.98Å; F142-V145 PolarHBondContact O-N 2.83Å; F142-V145 VanDerWaalsContact O-N 3.14Å; F142-F146 HydrophobicContact CB-CD2 4.45Å; F142-F146 HydrophobicContact CB-CE2 4.31Å; F142-F146 HydrophobicContact CD1-CE2 4.2Å; F142-F146 HydrophobicContact CD1-CZ 4.26Å; F142-F146 WeakPolarHBondContact O-CB 3.35Å; F142-F146 WeakPolarHBondContact O-CG 3.49Å; F142-F146 PolarHBondContact O-N 2.83Å; F142-L301 HydrophobicContact CD1-CB 3.92Å; F142-L301 HydrophobicContact CD1-CD1 4.31Å; F142-L301 HydrophobicContact CD1-CD2 3.7Å; F142-L301 HydrophobicContact CD1-CG 4.19Å; F142-L301 HydrophobicContact CD2-CD2 4.44Å; F142-L301 HydrophobicContact CE1-CB 3.89Å; F142-L301 HydrophobicContact CE1-CD2 3.35Å; F142-L301 HydrophobicContact CE1-CG 4.15Å; F142-L301 HydrophobicContact CE2-CD2 4.16Å; F142-L301 HydrophobicContact CG-CD2 4.23Å; F142-L301 HydrophobicContact CZ-CD2 3.6Å; F142-L305 HydrophobicContact CD1-CD1 3.99Å; F142-L305 HydrophobicContact CD1-CD2 4.28Å; F142-L305 HydrophobicContact CD1-CG 4.29Å; F142-L305 HydrophobicContact CE1-CD1 4.09Å; F142-L305 HydrophobicContact CE1-CD2 3.79Å; F142-L305 HydrophobicContact CE1-CG 3.87Å; F142-L305 HydrophobicContact CZ-CD2 4.39Å; F142-P310 HydrophobicContact CZ-CB 4.45Å; F142-P310 WeakPolarHBondContact CZ-O 3.23Å; F142-I314 HydrophobicContact CE2-CD1 3.58Å; F142-I314 HydrophobicContact CE2-CG1 3.95Å; F142-I314 HydrophobicContact CZ-CD1 3.93Å; F142-I314 HydrophobicContact CZ-CG1 4.09Å
143C94Very high90.8Very high13 Ų1342.7 Ų42.79%0.08822%0.22CC..Hα-helixtrans-54.1-52.5179-172.70000111.7Y119 M127 N139 V145 F146 R147Y119-C143 PolarHBondContact OH-O 3.42Å; M127-C143 HydrophobicContact CE-CB 3.73Å; M127-C143 HydrophobicContact CG-CB 4.41Å; M127-C143 HydrophobicContact SD-CB 3.54Å; M127-C143 VanDerWaalsContact SD-CB 3.54Å; N139-C143 PolarHBondContact O-N 3.37Å; C143-V145 VanDerWaalsContact C-N 3.28Å; C143-V145 PolarHBondContact O-N 2.67Å; C143-F146 PolarHBondContact O-N 2.86Å; C143-R147 WeakPolarHBondContact O-CB 3.36Å; C143-R147 PolarHBondContact O-N 3.12Å
144G92.6Very high91Very high29 Ų2940.4 Ų40.430%0.29921%0.21SC..Hα-helixtrans-66.2-26-178.100000114.5C140 F142 R148C140-G144 PolarHBondContact O-N 2.83Å; F142-G144 PolarHBondContact O-N 2.98Å; G144-R148 WeakPolarHBondContact O-CG 3.46Å; G144-R148 PolarHBondContact O-NE 3.4Å
145V92.6Very high91.3Very high13 Ų1339.6 Ų39.68%0.07920%0.204CC..Hα-helixtrans-79.7-48.2175.6170.50000110.7T141 F142 C143 R148 Q149 K297 S298 L301T141-V145 WeakPolarHBondContact O-CB 3.25Å; T141-V145 WeakPolarHBondContact O-CG2 3.18Å; T141-V145 PolarHBondContact O-N 2.89Å; T141-V145 VanDerWaalsContact O-N 3.16Å; F142-V145 PolarHBondContact O-N 2.83Å; F142-V145 VanDerWaalsContact O-N 3.14Å; C143-V145 VanDerWaalsContact C-N 3.28Å; C143-V145 PolarHBondContact O-N 2.67Å; V145-R148 PolarHBondContact O-N 3.14Å; V145-Q149 PolarHBondContact O-N 2.86Å; V145-Q149 VanDerWaalsContact O-N 3.14Å; V145-K297 HydrophobicContact CG1-CB 4.02Å; V145-K297 HydrophobicContact CG1-CG 4.11Å; V145-K297 HydrophobicContact CG2-CG 4Å; V145-S298 WeakPolarHBondContact CG1-OG 3.26Å; V145-L301 HydrophobicContact CB-CD1 3.81Å; V145-L301 HydrophobicContact CG1-CD1 3.77Å; V145-L301 HydrophobicContact CG2-CD1 4.01Å
146F95.6Very high91.4Very high0 Ų041.7 Ų41.70%021%0.208CC..Hα-helixtrans-66.2-37.9178.4-66.9-17.2000112.6Y119 Y123 I130 F142 C143 R148 Q149 A150 L301 L302 L305Y119-F146 HydrophobicContact CD1-CB 4.48Å; Y119-F146 HydrophobicContact CE1-CB 3.85Å; Y119-F146 HydrophobicContact CE2-CB 3.94Å; Y119-F146 HydrophobicContact CE2-CD2 4.48Å; Y123-F146 HydrophobicContact CD2-CB 4.23Å; Y123-F146 HydrophobicContact CD2-CD2 4.36Å; Y123-F146 HydrophobicContact CD2-CG 4.22Å; Y123-F146 HydrophobicContact CE2-CB 3.67Å; Y123-F146 HydrophobicContact CE2-CG 4.06Å; Y123-F146 PolarHBondContact OH-O 2.79Å; I130-F146 HydrophobicContact CD1-CD2 3.88Å; I130-F146 HydrophobicContact CD1-CE2 3.67Å; F142-F146 HydrophobicContact CB-CD2 4.45Å; F142-F146 HydrophobicContact CB-CE2 4.31Å; F142-F146 HydrophobicContact CD1-CE2 4.2Å; F142-F146 HydrophobicContact CD1-CZ 4.26Å; F142-F146 WeakPolarHBondContact O-CB 3.35Å; F142-F146 WeakPolarHBondContact O-CG 3.49Å; F142-F146 PolarHBondContact O-N 2.83Å; C143-F146 PolarHBondContact O-N 2.86Å; F146-R148 VanDerWaalsContact C-N 3.32Å; F146-R148 PolarHBondContact O-N 2.62Å; F146-Q149 PolarHBondContact O-N 3.02Å; F146-A150 WeakPolarHBondContact O-CB 3.42Å; F146-A150 PolarHBondContact O-N 2.66Å; F146-L301 HydrophobicContact CE1-CB 3.96Å; F146-L301 HydrophobicContact CZ-CB 3.92Å; F146-L302 HydrophobicContact CZ-CB 4.39Å; F146-L305 HydrophobicContact CE2-CD1 3.9Å; F146-L305 HydrophobicContact CZ-CD1 4Å
147R95.1Very high91.7Very high95 Ų9542.6 Ų42.636%0.35821%0.211SC..Hα-helixtrans-60.5-44.7176.2-171-179.9-72.3168.2-3.9111.1V88 E90 Y119 C143 A150 L151V88-R147 HydrophobicContact CB-CG 4.43Å; V88-R147 HydrophobicContact CG1-CG 4.46Å; V88-R147 HydrophobicContact CG2-CG 4.36Å; E90-R147 IonicContact OE1-CZ 2.93Å; E90-R147 IonicContact OE1-NE 2.94Å; E90-R147 PolarHBondContact OE1-NE 3.26Å; E90-R147 IonicContact OE1-NH2 2.77Å; E90-R147 PolarHBondContact OE1-NH2 3.16Å; Y119-R147 WeakPolarHBondContact OH-CA 3.25Å; Y119-R147 VanDerWaalsContact OH-CB 3.22Å; Y119-R147 WeakPolarHBondContact OH-CB 2.98Å; Y119-R147 PolarHBondContact OH-N 2.92Å; C143-R147 WeakPolarHBondContact O-CB 3.36Å; C143-R147 PolarHBondContact O-N 3.12Å; R147-A150 PolarHBondContact O-N 2.72Å; R147-L151 HydrophobicContact CG-CD1 4.49Å; R147-L151 WeakPolarHBondContact O-CG 3.2Å; R147-L151 PolarHBondContact O-N 2.89Å
148R92.4Very high92.2Very high138 Ų13839.1 Ų39.152%0.52120%0.198SC..Hα-helixtrans-63.7-49.7179.4-76.2-175.2-70.9153.2-2.2110.7G144 V145 F146 A150 L151 D152 R206G144-R148 WeakPolarHBondContact O-CG 3.46Å; G144-R148 PolarHBondContact O-NE 3.4Å; V145-R148 PolarHBondContact O-N 3.14Å; F146-R148 VanDerWaalsContact C-N 3.32Å; F146-R148 PolarHBondContact O-N 2.62Å; R148-A150 VanDerWaalsContact C-N 3.33Å; R148-A150 PolarHBondContact O-N 3.49Å; R148-L151 PolarHBondContact O-N 2.99Å; R148-D152 PolarHBondContact O-N 3.04Å; R148-D152 VanDerWaalsContact O-N 3.13Å; R148-R206 PolarHBondContact O-NH2 2.87Å
149Q92.5Very high92.6Very high11 Ų1143.2 Ų43.25%0.05121%0.211CC..Hα-helixtrans-63.1-40.4177.7-176.3177.345.400111.6V145 F146 L151 D152 R153 S298V145-Q149 PolarHBondContact O-N 2.86Å; V145-Q149 VanDerWaalsContact O-N 3.14Å; F146-Q149 PolarHBondContact O-N 3.02Å; Q149-L151 VanDerWaalsContact C-N 3.34Å; Q149-L151 PolarHBondContact O-N 2.92Å; Q149-D152 WeakPolarHBondContact O-CB 3.43Å; Q149-D152 PolarHBondContact O-N 3.18Å; Q149-D152 VanDerWaalsContact O-N 3.09Å; Q149-R153 HydrophobicContact CG-CG 4.27Å; Q149-R153 WeakPolarHBondContact O-CG 3.4Å; Q149-R153 PolarHBondContact O-N 3.1Å; Q149-S298 PolarHBondContact OE1-OG 3.14Å; Q149-S298 VanDerWaalsContact OE1-OG 3.06Å
150A94.8Very high92.8Very high0 Ų043.4 Ų43.40%021%0.213CC..Hα-helixtrans-60.8-42.3178.700000111.9V88 V117 Y119 L122 Y123 F146 R147 R148 R153 G154V88-A150 HydrophobicContact CG1-CB 3.85Å; V88-A150 HydrophobicContact CG2-CB 3.98Å; V117-A150 HydrophobicContact CG2-CB 4.14Å; Y119-A150 HydrophobicContact CE1-CB 4.22Å; L122-A150 HydrophobicContact CD1-CB 3.56Å; Y123-A150 HydrophobicContact CE2-CB 4.48Å; Y123-A150 PolarHBondContact OH-N 3.35Å; Y123-A150 VanDerWaalsContact OH-N 3.17Å; F146-A150 WeakPolarHBondContact O-CB 3.42Å; F146-A150 PolarHBondContact O-N 2.66Å; R147-A150 PolarHBondContact O-N 2.72Å; R148-A150 VanDerWaalsContact C-N 3.33Å; R148-A150 PolarHBondContact O-N 3.49Å; A150-R153 PolarHBondContact O-N 2.9Å; A150-G154 PolarHBondContact O-N 3.35Å
151L94.2Very high93Very high13 Ų1344.9 Ų44.97%0.06822%0.217CC..Hα-helixtrans-60.5-42.9172-75.4171.1000112.2A56 I86 V88 R147 R148 Q149 R153 G154 A155A56-L151 HydrophobicContact CB-CD1 4.14Å; A56-L151 HydrophobicContact CB-CD2 3.9Å; I86-L151 HydrophobicContact CB-CD2 4.29Å; I86-L151 HydrophobicContact CG2-CD2 3.91Å; V88-L151 HydrophobicContact CG2-CD2 3.77Å; V88-L151 HydrophobicContact CG2-CG 3.78Å; R147-L151 HydrophobicContact CG-CD1 4.49Å; R147-L151 WeakPolarHBondContact O-CG 3.2Å; R147-L151 PolarHBondContact O-N 2.89Å; R148-L151 PolarHBondContact O-N 2.99Å; Q149-L151 VanDerWaalsContact C-N 3.34Å; Q149-L151 PolarHBondContact O-N 2.92Å; L151-R153 VanDerWaalsContact C-N 3.34Å; L151-R153 PolarHBondContact O-N 3.28Å; L151-G154 PolarHBondContact O-N 2.67Å; L151-A155 WeakPolarHBondContact O-CB 3.45Å; L151-A155 PolarHBondContact O-N 2.86Å
152D91.4Very high93.3Very high28 Ų2843.4 Ų43.415%0.1521%0.206CC..Hα-helixtrans-63.8-41.3176.9-62.1-32.3000110.9R148 Q149 A155 I156 R206R148-D152 PolarHBondContact O-N 3.04Å; R148-D152 VanDerWaalsContact O-N 3.13Å; Q149-D152 WeakPolarHBondContact O-CB 3.43Å; Q149-D152 PolarHBondContact O-N 3.18Å; Q149-D152 VanDerWaalsContact O-N 3.09Å; D152-A155 PolarHBondContact O-N 3.18Å; D152-I156 VanDerWaalsContact O-CG1 3.3Å; D152-I156 WeakPolarHBondContact O-CG1 3.45Å; D152-I156 PolarHBondContact O-N 3.22Å; D152-R206 IonicContact OD1-CZ 3.62Å; D152-R206 IonicContact OD1-NE 3.55Å; D152-R206 PolarHBondContact OD1-NE 2.94Å; D152-R206 IonicContact OD1-NH2 2.85Å; D152-R206 PolarHBondContact OD1-NH2 3.46Å; D152-R206 IonicContact OD2-NH2 3.23Å; D152-R206 PolarHBondContact OD2-NH2 2.97Å
153R91.5Very high93.4Very high45 Ų4543.4 Ų43.417%0.1721%0.206CC..Hα-helixtrans-61.4-48.3174.9-54.7-148.7173.3155.4-2111.3L122 Q149 A150 L151 A155 I156 M157 Y289L122-R153 PolarHBondContact O-NH1 3.17Å; Q149-R153 HydrophobicContact CG-CG 4.27Å; Q149-R153 WeakPolarHBondContact O-CG 3.4Å; Q149-R153 PolarHBondContact O-N 3.1Å; A150-R153 PolarHBondContact O-N 2.9Å; L151-R153 VanDerWaalsContact C-N 3.34Å; L151-R153 PolarHBondContact O-N 3.28Å; R153-A155 VanDerWaalsContact C-N 3.32Å; R153-A155 PolarHBondContact O-N 3.41Å; R153-I156 PolarHBondContact O-N 2.78Å; R153-M157 VanDerWaalsContact O-CG 3.23Å; R153-M157 WeakPolarHBondContact O-CG 3.49Å; R153-M157 PolarHBondContact O-N 2.97Å; R153-Y289 WeakPolarHBondContact CD-OH 3.46Å; R153-Y289 HydrophobicContact CG-CE1 3.95Å; R153-Y289 HydrophobicContact CG-CE2 4.28Å; R153-Y289 VanDerWaalsContact CG-OH 3.25Å; R153-Y289 WeakPolarHBondContact CG-OH 3.27Å
154G93.6Very high93.6Very high0 Ų042.8 Ų42.80%020%0.202CC..Hα-helixtrans-60-41.9178.300000112.3A150 L151 M157 L158A150-G154 PolarHBondContact O-N 3.35Å; L151-G154 PolarHBondContact O-N 2.67Å; G154-M157 PolarHBondContact O-N 3.05Å; G154-L158 WeakPolarHBondContact O-CG 3.47Å; G154-L158 PolarHBondContact O-N 2.92Å; G154-L158 VanDerWaalsContact O-N 3.13Å
155A92.9Very high93.8Very high0 Ų041.9 Ų41.90%019%0.191CC..Hα-helixtrans-65-42.5177.400000112.4I86 L151 D152 R153 L158 K159 V160 I163 V204I86-A155 HydrophobicContact CD1-CB 4.04Å; L151-A155 WeakPolarHBondContact O-CB 3.45Å; L151-A155 PolarHBondContact O-N 2.86Å; D152-A155 PolarHBondContact O-N 3.18Å; R153-A155 VanDerWaalsContact C-N 3.32Å; R153-A155 PolarHBondContact O-N 3.41Å; A155-L158 CarbonylContact O-C 3.54Å; A155-L158 PolarHBondContact O-N 3.34Å; A155-K159 PolarHBondContact O-N 3.35Å; A155-V160 HydrophobicContact CB-CB 4.1Å; A155-V160 HydrophobicContact CB-CG1 4.41Å; A155-V160 PolarHBondContact O-N 3.23Å; A155-I163 HydrophobicContact CB-CD1 3.55Å; A155-I163 HydrophobicContact CB-CG1 3.74Å; A155-V204 HydrophobicContact CB-CB 4.24Å; A155-V204 HydrophobicContact CB-CG1 4.15Å; A155-V204 HydrophobicContact CB-CG2 3.95Å
156I90.6Very high94Very high73 Ų7341.8 Ų41.837%0.37419%0.193SC..Hα-helixtrans-63.9-43.4175.6-68.3169.7000111.2D152 R153 L158 K159 V204 Y289D152-I156 VanDerWaalsContact O-CG1 3.3Å; D152-I156 WeakPolarHBondContact O-CG1 3.45Å; D152-I156 PolarHBondContact O-N 3.22Å; R153-I156 PolarHBondContact O-N 2.78Å; I156-L158 PolarHBondContact O-N 2.77Å; I156-K159 PolarHBondContact O-N 2.8Å; I156-V204 HydrophobicContact CG1-CG2 4.2Å; I156-Y289 HydrophobicContact CD1-CD1 4.49Å; I156-Y289 HydrophobicContact CD1-CE1 3.78Å
157M91.6Very high94.1Very high117 Ų11745 Ų4558%0.57621%0.207SC*.Hα-helixtrans-58.8-34.2177.5-70.8171.2109.100112.4V117 R153 G154V117-M157 HydrophobicContact CG1-SD 4.37Å; R153-M157 VanDerWaalsContact O-CG 3.23Å; R153-M157 WeakPolarHBondContact O-CG 3.49Å; R153-M157 PolarHBondContact O-N 2.97Å; G154-M157 PolarHBondContact O-N 3.05Å
158L92Very high94.2Very high47 Ų4740.4 Ų40.425%0.24619%0.19CC..THydrogen-bonded Turntrans-93.40.3179.6-64174.6000113.6M84 I86 K115 G154 A155 I156 V160M84-L158 HydrophobicContact CE-CB 3.88Å; M84-L158 HydrophobicContact CE-CD1 3.55Å; M84-L158 HydrophobicContact CE-CD2 3.72Å; M84-L158 HydrophobicContact CE-CG 3.89Å; M84-L158 HydrophobicContact CG-CD1 4.45Å; M84-L158 HydrophobicContact SD-CB 3.84Å; M84-L158 HydrophobicContact SD-CD1 3.84Å; M84-L158 HydrophobicContact SD-CG 4.34Å; I86-L158 HydrophobicContact CD1-CD1 4.18Å; I86-L158 HydrophobicContact CG1-CD1 3.89Å; K115-L158 HydrophobicContact CB-CD1 3.39Å; K115-L158 HydrophobicContact CB-CD2 4.02Å; K115-L158 HydrophobicContact CB-CG 4.07Å; K115-L158 HydrophobicContact CG-CD1 3.96Å; K115-L158 HydrophobicContact CG-CD2 4.21Å; K115-L158 HydrophobicContact CG-CG 4.2Å; G154-L158 WeakPolarHBondContact O-CG 3.47Å; G154-L158 PolarHBondContact O-N 2.92Å; G154-L158 VanDerWaalsContact O-N 3.13Å; A155-L158 CarbonylContact O-C 3.54Å; A155-L158 PolarHBondContact O-N 3.34Å; I156-L158 PolarHBondContact O-N 2.77Å; L158-V160 HydrophobicContact CB-CG2 3.85Å; L158-V160 PolarHBondContact O-N 3.43Å
159K93.1Very high94.4Very high177 Ų17733.9 Ų33.977%0.7717%0.165SC*.THydrogen-bonded Turntrans52.540.8-175.4-56.3-179.4-179.5179.10113.1A155 I156A155-K159 PolarHBondContact O-N 3.35Å; I156-K159 PolarHBondContact O-N 2.8Å
160V94.7Very high94.6Very high7 Ų733.6 Ų33.64%0.04217%0.165CC..  trans-74134178.4164.80000110.4T52 M84 I86 A155 L158 K162 I163 V204T52-V160 HydrophobicContact CG2-CG2 4.17Å; M84-V160 HydrophobicContact CG-CG2 4.14Å; M84-V160 HydrophobicContact SD-CG2 3.39Å; M84-V160 WeakPolarHBondContact SD-CG2 3.22Å; I86-V160 HydrophobicContact CD1-CG2 4.32Å; A155-V160 HydrophobicContact CB-CB 4.1Å; A155-V160 HydrophobicContact CB-CG1 4.41Å; A155-V160 PolarHBondContact O-N 3.23Å; L158-V160 HydrophobicContact CB-CG2 3.85Å; L158-V160 PolarHBondContact O-N 3.43Å; V160-K162 VanDerWaalsContact CG1-C 3.46Å; V160-K162 WeakPolarHBondContact CG1-O 3.45Å; V160-I163 HydrophobicContact CG1-CG1 4.49Å; V160-V204 HydrophobicContact CG1-CG1 4.22Å; V160-V204 WeakPolarHBondContact O-CG1 3.19Å
161D94.8Very high94.7Very high79 Ų7934.5 Ų34.542%0.42217%0.169SC..SBendtrans-75.8-36.3175.9-62.7-59.8000112E51 T52 P205E51-D161 WeakPolarHBondContact CA-OD2 3.46Å; E51-D161 HydrophobicContact CB-CB 4.23Å; E51-D161 HydrophobicContact CG-CB 4.29Å; T52-D161 PolarHBondContact N-OD2 3.3Å; T52-D161 WeakPolarHBondContact O-CB 3.32Å; T52-D161 PolarHBondContact O-N 3.05Å; D161-P205 VanDerWaalsContact O-CD 3.3Å; D161-P205 WeakPolarHBondContact O-CD 3.25Å
162K95.3Very high94.8Very high26 Ų2634 Ų3411%0.11317%0.167CC..EExtended strand (participates in β ladder)trans-146144.3-179.3-64.9-178.1-175.6141.50113.5L46 F47 E51 T52 V53 G54 V160 P205L46-K162 VanDerWaalsContact O-CD 3.23Å; L46-K162 WeakPolarHBondContact O-CD 3.07Å; L46-K162 WeakPolarHBondContact O-CE 3.35Å; L46-K162 PolarHBondContact O-NZ 3.13Å; F47-K162 HydrophobicContact CD1-CD 4.07Å; F47-K162 HydrophobicContact CE1-CD 4.38Å; E51-K162 IonicContact OE1-NZ 3.9Å; E51-K162 PolarHBondContact OE1-NZ 3.03Å; E51-K162 IonicContact OE2-NZ 3.37Å; E51-K162 PolarHBondContact OE2-NZ 3.49Å; T52-K162 PolarHBondContact O-N 3.26Å; V53-K162 CarbonylContact C-O 3.52Å; V53-K162 WeakPolarHBondContact CA-O 2.87Å; G54-K162 PolarHBondContact N-O 3Å; V160-K162 VanDerWaalsContact CG1-C 3.46Å; V160-K162 WeakPolarHBondContact CG1-O 3.45Å; K162-P205 CarbonylContact C-O 3.55Å; K162-P205 WeakPolarHBondContact CA-O 3.19Å; K162-P205 HydrophobicContact CG-CB 4.31Å
163I96.6Very high95.1Very high0 Ų032.7 Ų32.70%016%0.16CC..EExtended strand (participates in β ladder)trans-101.1124.6172.7-57.4167.7000110.1G54 A56 A155 V160 T165 V204 P205 R206 C207G54-I163 CarbonylContact O-C 3.23Å; G54-I163 WeakPolarHBondContact O-CA 3.29Å; A56-I163 HydrophobicContact CB-CG2 4.29Å; A155-I163 HydrophobicContact CB-CD1 3.55Å; A155-I163 HydrophobicContact CB-CG1 3.74Å; V160-I163 HydrophobicContact CG1-CG1 4.49Å; I163-T165 HydrophobicContact CG2-CG2 4.2Å; I163-V204 HydrophobicContact CD1-CB 4.31Å; I163-V204 HydrophobicContact CD1-CG1 4.16Å; I163-V204 HydrophobicContact CG1-CB 4.47Å; I163-V204 HydrophobicContact CG1-CG1 3.78Å; I163-P205 PolarHBondContact N-O 3.11Å; I163-R206 HydrophobicContact CB-CG 4.26Å; I163-R206 CarbonylContact O-C 3.58Å; I163-R206 VanDerWaalsContact O-CA 3.25Å; I163-R206 WeakPolarHBondContact O-CA 3.39Å; I163-C207 PolarHBondContact O-N 3.21Å
164C97.5Very high95.3Very high0 Ų030.7 Ų30.70%015%0.152CC..EExtended strand (participates in β ladder)trans-91.1138.3166.6-64.60000110.6F47 V53 G54 I55 A56 L66 C207 P209F47-C164 WeakPolarHBondContact CZ-SG 3.17Å; V53-C164 HydrophobicContact CG1-CB 4.45Å; V53-C164 WeakPolarHBondContact CG1-SG 3.48Å; G54-C164 PolarHBondContact O-N 2.87Å; I55-C164 HydrophobicContact CG1-CB 4.42Å; A56-C164 WeakPolarHBondContact CB-O 3.47Å; A56-C164 PolarHBondContact N-O 3.19Å; L66-C164 HydrophobicContact CD2-CB 3.95Å; C164-C207 PolarHBondContact SG-SG 3.05Å; C164-P209 HydrophobicContact CB-CG 4.38Å
165T97.3Very high95.3Very high10 Ų1032.2 Ų32.26%0.06116%0.161CC..  trans-124.1145.2173.3630000110.9A56 I163 H167 C207A56-T165 HydrophobicContact CB-CG2 4.11Å; I163-T165 HydrophobicContact CG2-CG2 4.2Å; T165-H167 WeakPolarHBondContact CB-ND1 3.46Å; T165-H167 PolarHBondContact O-N 2.95Å; T165-H167 PolarHBondContact OG1-ND1 3.26Å; T165-C207 PolarHBondContact N-O 3.12Å
166G96.9Very high95.4Very high12 Ų1232.2 Ų32.212%0.12416%0.162CC..  trans-73.422.4-178.600000115.1D62 N168D62-G166 VanDerWaalsContact CB-O 3.28Å; D62-G166 WeakPolarHBondContact CB-O 3.29Å; G166-N168 PolarHBondContact O-N 3.44Å
167H96.8Very high95.7Very high66 Ų6629.8 Ų29.831%0.30615%0.149SC..  trans-66.8124.2178.6-69.693.3000110.1T165 D171 K208 L210T165-H167 WeakPolarHBondContact CB-ND1 3.46Å; T165-H167 PolarHBondContact O-N 2.95Å; T165-H167 PolarHBondContact OG1-ND1 3.26Å; H167-D171 WeakPolarHBondContact CA-OD2 3.44Å; H167-D171 HydrophobicContact CB-CB 4.27Å; H167-K208 HydrophobicContact CB-CD 4.07Å; H167-K208 HydrophobicContact CB-CG 4.19Å; H167-L210 CarbonylContact O-C 3.59Å
168N97.6Very high95.8Very high0 Ų024.9 Ų24.90%013%0.125CC..  trans-99.8-177.1-176.866.138.5000111.9D62 G166 D170 D171 V172 L210 A213 I218D62-N168 PolarHBondContact OD1-ND2 3.44Å; G166-N168 PolarHBondContact O-N 3.44Å; N168-D170 PolarHBondContact O-N 2.91Å; N168-D170 WeakPolarHBondContact OD1-CB 3.34Å; N168-D170 PolarHBondContact OD1-N 3.35Å; N168-D170 VanDerWaalsContact OD1-N 3.08Å; N168-D171 PolarHBondContact N-OD2 2.95Å; N168-D171 VanDerWaalsContact N-OD2 3.12Å; N168-D171 PolarHBondContact O-N 3.47Å; N168-D171 PolarHBondContact OD1-N 2.94Å; N168-D171 PolarHBondContact OD1-OD2 2.85Å; N168-V172 WeakPolarHBondContact O-CG2 3.26Å; N168-V172 PolarHBondContact O-N 3.13Å; N168-L210 WeakPolarHBondContact CA-O 3.45Å; N168-A213 WeakPolarHBondContact CB-O 3.47Å; N168-I218 HydrophobicContact CB-CD1 3.32Å
169A97.3Very high95.8Very high0 Ų023 Ų230%012%0.115CC..Hα-helixtrans-60.2-43.7-179.300000112.2D171 V172 A173 K211 A213 Y214 I260 I264A169-D171 PolarHBondContact O-N 3.03Å; A169-V172 PolarHBondContact O-N 3.38Å; A169-A173 WeakPolarHBondContact O-CB 3.21Å; A169-A173 PolarHBondContact O-N 3.49Å; A169-K211 WeakPolarHBondContact CA-O 3.34Å; A169-K211 PolarHBondContact N-O 3.46Å; A169-A213 VanDerWaalsContact CB-O 3.24Å; A169-A213 WeakPolarHBondContact CB-O 3.49Å; A169-A213 PolarHBondContact N-O 2.7Å; A169-Y214 HydrophobicContact CB-CD1 4.23Å; A169-I260 HydrophobicContact CB-CG2 3.72Å; A169-I264 HydrophobicContact CB-CD1 3.81Å; A169-I264 WeakPolarHBondContact O-CD1 3.36Å
170D97.1Very high95.7Very high6 Ų618.8 Ų18.83%0.03210%0.1CC..Hα-helixtrans-59.4-46.8177.5-56.5-119.9000111.1N168 V172 A173 E174 E215 L249 I260N168-D170 PolarHBondContact O-N 2.91Å; N168-D170 WeakPolarHBondContact OD1-CB 3.34Å; N168-D170 PolarHBondContact OD1-N 3.35Å; N168-D170 VanDerWaalsContact OD1-N 3.08Å; D170-V172 VanDerWaalsContact C-N 3.28Å; D170-V172 PolarHBondContact O-N 2.96Å; D170-A173 PolarHBondContact O-N 3.43Å; D170-E174 WeakPolarHBondContact O-CB 3.25Å; D170-E174 VanDerWaalsContact O-CG 3.27Å; D170-E174 WeakPolarHBondContact O-CG 3.37Å; D170-E174 PolarHBondContact O-N 3.44Å; D170-E215 HydrophobicContact CB-CB 4.19Å; D170-E215 WeakPolarHBondContact OD2-CB 3.46Å; D170-E215 PolarHBondContact OD2-N 3.31Å; D170-L249 HydrophobicContact CB-CD2 4.38Å; D170-I260 VanDerWaalsContact OD1-CD1 3.3Å; D170-I260 WeakPolarHBondContact OD1-CD1 3.47Å
171D95.9Very high95.6Very high19 Ų1923.5 Ų23.510%0.10213%0.125CC..Hα-helixtrans-58.3-39176.7-74.4-54.5000113H167 N168 A169 T175H167-D171 WeakPolarHBondContact CA-OD2 3.44Å; H167-D171 HydrophobicContact CB-CB 4.27Å; N168-D171 PolarHBondContact N-OD2 2.95Å; N168-D171 VanDerWaalsContact N-OD2 3.12Å; N168-D171 PolarHBondContact O-N 3.47Å; N168-D171 PolarHBondContact OD1-N 2.94Å; N168-D171 PolarHBondContact OD1-OD2 2.85Å; A169-D171 PolarHBondContact O-N 3.03Å; D171-T175 WeakPolarHBondContact O-CB 3.25Å; D171-T175 PolarHBondContact O-N 2.88Å; D171-T175 VanDerWaalsContact O-N 3.08Å; D171-T175 PolarHBondContact O-OG1 2.88Å
172V96.3Very high95.4Very high3 Ų325.5 Ų25.52%0.01813%0.126CC..Hα-helixtrans-71.4-44.7179.2178.50000109.9N168 A169 D170 T175 V176 T192 K208 K211 I264N168-V172 WeakPolarHBondContact O-CG2 3.26Å; N168-V172 PolarHBondContact O-N 3.13Å; A169-V172 PolarHBondContact O-N 3.38Å; D170-V172 VanDerWaalsContact C-N 3.28Å; D170-V172 PolarHBondContact O-N 2.96Å; V172-T175 WeakPolarHBondContact O-CB 3.42Å; V172-T175 PolarHBondContact O-N 3.44Å; V172-V176 WeakPolarHBondContact O-CG2 3.06Å; V172-V176 PolarHBondContact O-N 3.19Å; V172-T192 HydrophobicContact CG1-CG2 4.4Å; V172-K208 HydrophobicContact CG2-CD 4.35Å; V172-K211 HydrophobicContact CG2-CG 4.36Å; V172-I264 HydrophobicContact CB-CD1 4.34Å; V172-I264 HydrophobicContact CB-CG1 4.31Å; V172-I264 HydrophobicContact CG1-CD1 4.45Å; V172-I264 HydrophobicContact CG1-CG1 4.02Å; V172-I264 HydrophobicContact CG1-CG2 4.37Å
173A96.8Very high95.1Very high0 Ų026.8 Ų26.80%015%0.147CC..Hα-helixtrans-62.6-45.1176.400000112.2A169 D170 T175 V176 L177 L249 I260 I263 I264A169-A173 WeakPolarHBondContact O-CB 3.21Å; A169-A173 PolarHBondContact O-N 3.49Å; D170-A173 PolarHBondContact O-N 3.43Å; A173-T175 VanDerWaalsContact C-N 3.25Å; A173-T175 PolarHBondContact O-N 3.49Å; A173-V176 PolarHBondContact O-N 2.88Å; A173-L177 WeakPolarHBondContact O-CB 3.34Å; A173-L177 PolarHBondContact O-N 3.08Å; A173-L249 HydrophobicContact CB-CD1 4.13Å; A173-L249 HydrophobicContact CB-CD2 3.75Å; A173-I260 HydrophobicContact CB-CG2 4.08Å; A173-I263 HydrophobicContact CB-CB 4.26Å; A173-I263 HydrophobicContact CB-CG2 3.96Å; A173-I264 HydrophobicContact CB-CG1 4.21Å
174E96.3Very high94.6Very high3 Ų328.9 Ų28.91%0.01416%0.158CC..Hα-helixtrans-53.8-45.2171.5-75.4175.6-167.800110.7D170 L177 M178 R242 R246 L249D170-E174 WeakPolarHBondContact O-CB 3.25Å; D170-E174 VanDerWaalsContact O-CG 3.27Å; D170-E174 WeakPolarHBondContact O-CG 3.37Å; D170-E174 PolarHBondContact O-N 3.44Å; E174-L177 PolarHBondContact O-N 3.37Å; E174-M178 WeakPolarHBondContact O-CB 3.23Å; E174-M178 WeakPolarHBondContact O-CG 3.44Å; E174-M178 PolarHBondContact O-N 3.49Å; E174-R242 WeakPolarHBondContact OE2-CD 3.17Å; E174-R242 WeakPolarHBondContact OE2-CG 3.29Å; E174-R242 IonicContact OE2-NE 3.06Å; E174-R246 HydrophobicContact CG-CB 4.39Å; E174-R246 VanDerWaalsContact OE1-CB 3.27Å; E174-R246 WeakPolarHBondContact OE1-CB 3.37Å; E174-R246 VanDerWaalsContact OE1-CG 3.25Å; E174-R246 WeakPolarHBondContact OE1-CG 3.39Å; E174-R246 IonicContact OE1-CZ 2.72Å; E174-R246 IonicContact OE1-NE 3.35Å; E174-R246 PolarHBondContact OE1-NE 3.05Å; E174-R246 IonicContact OE1-NH2 3.46Å; E174-R246 IonicContact OE2-NE 2.88Å; E174-R246 IonicContact OE2-NH2 3.24Å; E174-L249 HydrophobicContact CG-CD2 3.92Å
175T94.8Very high94Very high31 Ų3132 Ų3219%0.1917%0.174CC..Hα-helixtrans-67.3-41.1-179.2-59.90000112D171 V172 A173 N179 C191 R242D171-T175 WeakPolarHBondContact O-CB 3.25Å; D171-T175 PolarHBondContact O-N 2.88Å; D171-T175 VanDerWaalsContact O-N 3.08Å; D171-T175 PolarHBondContact O-OG1 2.88Å; V172-T175 WeakPolarHBondContact O-CB 3.42Å; V172-T175 PolarHBondContact O-N 3.44Å; A173-T175 VanDerWaalsContact C-N 3.25Å; A173-T175 PolarHBondContact O-N 3.49Å; T175-N179 WeakPolarHBondContact O-CB 3.43Å; T175-N179 VanDerWaalsContact O-CG 3.27Å; T175-N179 PolarHBondContact O-N 3.04Å; T175-N179 PolarHBondContact O-ND2 2.93Å; T175-C191 HydrophobicContact CG2-CB 3.64Å; T175-R242 PolarHBondContact OG1-NH2 2.96Å
176V95.1Very high93.3Very high1 Ų132.3 Ų32.31%0.00618%0.177CC..Hα-helixtrans-59.1-53.1174.3169.30000109.9V172 A173 M178 N179 I180 L188 T192 I263V172-V176 WeakPolarHBondContact O-CG2 3.06Å; V172-V176 PolarHBondContact O-N 3.19Å; A173-V176 PolarHBondContact O-N 2.88Å; V176-M178 PolarHBondContact O-N 3.34Å; V176-N179 PolarHBondContact O-N 2.95Å; V176-N179 VanDerWaalsContact O-N 3.14Å; V176-I180 HydrophobicContact CG1-CD1 3.82Å; V176-I180 WeakPolarHBondContact O-CG1 3.5Å; V176-I180 PolarHBondContact O-N 2.89Å; V176-L188 HydrophobicContact CG1-CD1 4.06Å; V176-T192 HydrophobicContact CG2-CG2 3.53Å; V176-I263 HydrophobicContact CB-CG2 3.85Å; V176-I263 HydrophobicContact CG1-CG2 3.68Å
177L95Very high92.6Very high22 Ų2238 Ų3812%0.11520%0.195CC..Hα-helixtrans-56.9-49.3179.5177.367.1000111.9A173 E174 N179 I180 L181 A245 F248A173-L177 WeakPolarHBondContact O-CB 3.34Å; A173-L177 PolarHBondContact O-N 3.08Å; E174-L177 PolarHBondContact O-N 3.37Å; L177-N179 VanDerWaalsContact C-N 3.28Å; L177-N179 PolarHBondContact O-N 3.47Å; L177-I180 PolarHBondContact O-N 3.24Å; L177-L181 HydrophobicContact CD1-CD1 4.15Å; L177-L181 HydrophobicContact CD1-CG 4.29Å; L177-L181 HydrophobicContact CG-CD1 4.05Å; L177-L181 WeakPolarHBondContact O-CG 3.47Å; L177-L181 PolarHBondContact O-N 2.98Å; L177-A245 HydrophobicContact CD2-CB 4.19Å; L177-F248 HydrophobicContact CD1-CD1 4.37Å; L177-F248 HydrophobicContact CD1-CE1 4.18Å; L177-F248 HydrophobicContact CD2-CD1 3.54Å; L177-F248 HydrophobicContact CD2-CE1 4.16Å
178M93.9Very high92.1Very high14 Ų1435.1 Ų35.17%0.06918%0.182CC..Hα-helixtrans-59.3-37.7178.8-74.11735400112.6E174 V176 R182 Y241 R242 A245E174-M178 WeakPolarHBondContact O-CB 3.23Å; E174-M178 WeakPolarHBondContact O-CG 3.44Å; E174-M178 PolarHBondContact O-N 3.49Å; V176-M178 PolarHBondContact O-N 3.34Å; M178-R182 WeakPolarHBondContact O-CB 3.42Å; M178-R182 WeakPolarHBondContact O-CD 3.26Å; M178-R182 WeakPolarHBondContact O-CG 3.3Å; M178-R182 PolarHBondContact O-N 3.04Å; M178-R182 VanDerWaalsContact O-N 3.16Å; M178-Y241 HydrophobicContact CE-CD1 3.98Å; M178-Y241 HydrophobicContact CG-CD1 4.26Å; M178-Y241 HydrophobicContact CG-CE1 4.01Å; M178-R242 HydrophobicContact CE-CB 4.37Å; M178-R242 HydrophobicContact SD-CB 3.89Å; M178-R242 HydrophobicContact SD-CG 3.99Å; M178-A245 HydrophobicContact CG-CB 3.59Å; M178-A245 HydrophobicContact SD-CB 4.11Å
179N92.5Very high91.3Very high6 Ų643 Ų433%0.03221%0.212CC..Hα-helixtrans-75.2-34.3179.8-70.7-37.1000112.2T175 V176 L177 R182 G183 D184 L188T175-N179 WeakPolarHBondContact O-CB 3.43Å; T175-N179 VanDerWaalsContact O-CG 3.27Å; T175-N179 PolarHBondContact O-N 3.04Å; T175-N179 PolarHBondContact O-ND2 2.93Å; V176-N179 PolarHBondContact O-N 2.95Å; V176-N179 VanDerWaalsContact O-N 3.14Å; L177-N179 VanDerWaalsContact C-N 3.28Å; L177-N179 PolarHBondContact O-N 3.47Å; N179-R182 PolarHBondContact O-N 3.37Å; N179-G183 PolarHBondContact O-N 3.45Å; N179-G183 VanDerWaalsContact O-N 3.1Å; N179-D184 PolarHBondContact O-N 3.12Å; N179-L188 HydrophobicContact CB-CB 4.2Å; N179-L188 HydrophobicContact CB-CD1 4.19Å
180I92.3Very high90.7Very high89 Ų8948.2 Ų48.246%0.45623%0.232SC..Hα-helixtrans-60.5-53.4171.1-69.2168.9000109.8V176 L177 R182 G183 L188V176-I180 HydrophobicContact CG1-CD1 3.82Å; V176-I180 WeakPolarHBondContact O-CG1 3.5Å; V176-I180 PolarHBondContact O-N 2.89Å; L177-I180 PolarHBondContact O-N 3.24Å; I180-R182 PolarHBondContact O-N 2.9Å; I180-G183 PolarHBondContact O-N 3.14Å; I180-L188 HydrophobicContact CG1-CD1 3.91Å; I180-L188 HydrophobicContact CG1-CD2 3.92Å
181L91.9Very high90Very high107 Ų10748.6 Ų48.656%0.5624%0.235SC*.Hα-helixtrans-61.6-29.5-178.2-67.4174.5000113.1L177L177-L181 HydrophobicContact CD1-CD1 4.15Å; L177-L181 HydrophobicContact CD1-CG 4.29Å; L177-L181 HydrophobicContact CG-CD1 4.05Å; L177-L181 WeakPolarHBondContact O-CG 3.47Å; L177-L181 PolarHBondContact O-N 2.98Å
182R90Very high89.5Confident121 Ų12148.3 Ų48.346%0.45723%0.233SC..Hα-helixtrans-85.6-11.3176.9-71.8170.8179.4167.9-4.1114M178 N179 I180 D184M178-R182 WeakPolarHBondContact O-CB 3.42Å; M178-R182 WeakPolarHBondContact O-CD 3.26Å; M178-R182 WeakPolarHBondContact O-CG 3.3Å; M178-R182 PolarHBondContact O-N 3.04Å; M178-R182 VanDerWaalsContact O-N 3.16Å; N179-R182 PolarHBondContact O-N 3.37Å; I180-R182 PolarHBondContact O-N 2.9Å; R182-D184 HydrophobicContact CB-CB 4.43Å; R182-D184 PolarHBondContact O-N 3.49Å
183G88.3Confident89.1Confident52 Ų5250 Ų5054%0.53625%0.247SC..THydrogen-bonded Turntrans62.127.5-169.500000113.5N179 I180 I185N179-G183 PolarHBondContact O-N 3.45Å; N179-G183 VanDerWaalsContact O-N 3.1Å; I180-G183 PolarHBondContact O-N 3.14Å; G183-I185 VanDerWaalsContact C-N 3.34Å; G183-I185 PolarHBondContact O-N 3.13Å; G183-I185 VanDerWaalsContact O-N 3.09Å
184D87.3Confident88.6Confident44 Ų4451.4 Ų51.424%0.23526%0.255CS..  trans-86.776.3179.5-167.2-23.7000110.6N179 R182 A186 R187 L188N179-D184 PolarHBondContact O-N 3.12Å; R182-D184 HydrophobicContact CB-CB 4.43Å; R182-D184 PolarHBondContact O-N 3.49Å; D184-A186 VanDerWaalsContact C-N 3.29Å; D184-A186 PolarHBondContact O-N 3.43Å; D184-R187 HydrophobicContact CB-CB 4.33Å; D184-R187 PolarHBondContact O-N 3.03Å; D184-R187 WeakPolarHBondContact OD1-CG 3.47Å; D184-R187 PolarHBondContact OD1-N 2.79Å; D184-R187 VanDerWaalsContact OD1-N 3.12Å; D184-R187 WeakPolarHBondContact OD2-CD 3.42Å; D184-R187 WeakPolarHBondContact OD2-CG 3.29Å; D184-R187 IonicContact OD2-CZ 2.67Å; D184-R187 IonicContact OD2-NE 3.37Å; D184-R187 PolarHBondContact OD2-NE 2.83Å; D184-R187 IonicContact OD2-NH1 3.38Å; D184-L188 WeakPolarHBondContact O-CB 3.44Å; D184-L188 PolarHBondContact O-N 3.05Å
185I85.1Confident88.2Confident65 Ų6553.3 Ų53.333%0.33327%0.268SS..Hα-helixtrans-59.4-38.1-175.3-57.8-55.2000112.5G183 R187 L188 R189 V272 V276G183-I185 VanDerWaalsContact C-N 3.34Å; G183-I185 PolarHBondContact O-N 3.13Å; G183-I185 VanDerWaalsContact O-N 3.09Å; I185-R187 VanDerWaalsContact C-N 3.33Å; I185-R187 PolarHBondContact O-N 3.44Å; I185-L188 PolarHBondContact O-N 3.29Å; I185-R189 PolarHBondContact O-N 3.47Å; I185-V272 HydrophobicContact CG2-CB 4.05Å; I185-V272 HydrophobicContact CG2-CG1 3.18Å; I185-V272 HydrophobicContact CG2-CG2 3.62Å; I185-V276 HydrophobicContact CG2-CG1 4.12Å; I185-V276 HydrophobicContact CG2-CG2 4.33Å
186A81.9Confident87.6Confident17 Ų1754.8 Ų54.814%0.1428%0.278CS..Hα-helixtrans-68.2-31.8-179.400000112.7D184 R190 M278 P279D184-A186 VanDerWaalsContact C-N 3.29Å; D184-A186 PolarHBondContact O-N 3.43Å; A186-R190 PolarHBondContact O-NE 3.14Å; A186-M278 HydrophobicContact CB-CE 4.47Å; A186-M278 HydrophobicContact CB-SD 4.24Å; A186-P279 HydrophobicContact CB-CG 4.47Å
187R83.5Confident86.1Confident133 Ų13357.7 Ų57.750%0.50230%0.301SS..Hα-helixtrans-79-38.7171-71.8-172.3-170.7161.92.2112.1D184 I185 R189 R190 C191D184-R187 HydrophobicContact CB-CB 4.33Å; D184-R187 PolarHBondContact O-N 3.03Å; D184-R187 WeakPolarHBondContact OD1-CG 3.47Å; D184-R187 PolarHBondContact OD1-N 2.79Å; D184-R187 VanDerWaalsContact OD1-N 3.12Å; D184-R187 WeakPolarHBondContact OD2-CD 3.42Å; D184-R187 WeakPolarHBondContact OD2-CG 3.29Å; D184-R187 IonicContact OD2-CZ 2.67Å; D184-R187 IonicContact OD2-NE 3.37Å; D184-R187 PolarHBondContact OD2-NE 2.83Å; D184-R187 IonicContact OD2-NH1 3.38Å; I185-R187 VanDerWaalsContact C-N 3.33Å; I185-R187 PolarHBondContact O-N 3.44Å; R187-R189 VanDerWaalsContact C-N 3.29Å; R187-R189 PolarHBondContact O-N 3.47Å; R187-R190 CarbonylContact O-C 3.55Å; R187-R190 PolarHBondContact O-N 3.03Å; R187-C191 WeakPolarHBondContact O-CB 3.43Å; R187-C191 PolarHBondContact O-N 3.29Å
188L85.4Confident84.3Confident5 Ų560.7 Ų60.73%0.02632%0.324CS..Hα-helixtrans-56.1-44.3178.6-172.459.8000111.5V176 N179 I180 D184 I185 R190 C191 L270V176-L188 HydrophobicContact CG1-CD1 4.06Å; N179-L188 HydrophobicContact CB-CB 4.2Å; N179-L188 HydrophobicContact CB-CD1 4.19Å; I180-L188 HydrophobicContact CG1-CD1 3.91Å; I180-L188 HydrophobicContact CG1-CD2 3.92Å; D184-L188 WeakPolarHBondContact O-CB 3.44Å; D184-L188 PolarHBondContact O-N 3.05Å; I185-L188 PolarHBondContact O-N 3.29Å; L188-R190 PolarHBondContact O-N 2.99Å; L188-R190 VanDerWaalsContact O-N 3.12Å; L188-C191 PolarHBondContact O-SG 3.29Å; L188-L270 HydrophobicContact CD2-CD1 4.18Å; L188-L270 HydrophobicContact CD2-CD2 3.65Å; L188-L270 HydrophobicContact CG-CD2 4.23Å
189R81.1Confident82Confident165 Ų16566.4 Ų66.462%0.62335%0.351SS*.Hα-helixtrans-59.9-23.8177.1-173.9175172.3-168.8-0.8114.4I185 R187I185-R189 PolarHBondContact O-N 3.47Å; R187-R189 VanDerWaalsContact C-N 3.29Å; R187-R189 PolarHBondContact O-N 3.47Å
190R84Confident79.8Confident110 Ų11068.7 Ų68.742%0.41538%0.376SS..Hα-helixtrans-114.6-15.7-173.5-64.8-176-66.4179.31.4113.8A186 R187 L188 T192 A193 M278A186-R190 PolarHBondContact O-NE 3.14Å; R187-R190 CarbonylContact O-C 3.55Å; R187-R190 PolarHBondContact O-N 3.03Å; L188-R190 PolarHBondContact O-N 2.99Å; L188-R190 VanDerWaalsContact O-N 3.12Å; R190-T192 VanDerWaalsContact C-N 3.27Å; R190-T192 PolarHBondContact O-N 3.47Å; R190-A193 WeakPolarHBondContact O-CB 3.32Å; R190-A193 PolarHBondContact O-N 3.35Å; R190-A193 VanDerWaalsContact O-N 3.09Å; R190-M278 HydrophobicContact CG-CE 4.4Å
191C83.3Confident77.6Confident14 Ų1472.7 Ų72.710%0.09540%0.398CS..Hα-helixtrans-69.7-26.3-169.961.10000113.6T175 R187 L188 A193 K208T175-C191 HydrophobicContact CG2-CB 3.64Å; R187-C191 WeakPolarHBondContact O-CB 3.43Å; R187-C191 PolarHBondContact O-N 3.29Å; L188-C191 PolarHBondContact O-SG 3.29Å; C191-A193 VanDerWaalsContact C-N 3.34Å; C191-K208 PolarHBondContact O-NZ 3.29Å
192T85.7Confident76.1Confident12 Ų1270.6 Ų70.67%0.07440%0.402CS..THydrogen-bonded Turntrans-84.5-5.217553.80000113.1V172 V176 R190 I194 K211 E268V172-T192 HydrophobicContact CG1-CG2 4.4Å; V176-T192 HydrophobicContact CG2-CG2 3.53Å; R190-T192 VanDerWaalsContact C-N 3.27Å; R190-T192 PolarHBondContact O-N 3.47Å; T192-I194 PolarHBondContact O-N 2.73Å; T192-K211 WeakPolarHBondContact O-CE 3.43Å; T192-K211 PolarHBondContact O-NZ 3.46Å; T192-E268 HydrophobicContact CG2-CG 4.16Å
193A86.4Confident75.2Confident38 Ų3866.5 Ų66.531%0.31439%0.39SS..  trans-58.1126.9175.800000110.4R190 C191R190-A193 WeakPolarHBondContact O-CB 3.32Å; R190-A193 PolarHBondContact O-N 3.35Å; R190-A193 VanDerWaalsContact O-N 3.09Å; C191-A193 VanDerWaalsContact C-N 3.34Å
194I87.8Confident75.2Confident31 Ų3164.8 Ų64.816%0.15937%0.37CS..SBendtrans-74.1-32.2178.1-168.8165.9000111.7T40 A44 L46 T192 C207 K208 K211 Y212T40-I194 HydrophobicContact CG2-CD1 3.53Å; A44-I194 HydrophobicContact CB-CD1 3.66Å; A44-I194 HydrophobicContact CB-CG1 4.44Å; A44-I194 HydrophobicContact CB-CG2 3.85Å; L46-I194 HydrophobicContact CD1-CD1 4.39Å; L46-I194 HydrophobicContact CD1-CG1 4.46Å; L46-I194 HydrophobicContact CD2-CD1 4.32Å; L46-I194 HydrophobicContact CD2-CG1 4.07Å; L46-I194 HydrophobicContact CD2-CG2 4.18Å; T192-I194 PolarHBondContact O-N 2.73Å; I194-C207 CarbonylContact O-C 3.51Å; I194-C207 VanDerWaalsContact O-CA 3.23Å; I194-C207 WeakPolarHBondContact O-CA 3.38Å; I194-K208 PolarHBondContact O-N 3.03Å; I194-K211 HydrophobicContact CB-CD 3.78Å; I194-K211 HydrophobicContact CD1-CD 4.09Å; I194-K211 HydrophobicContact CG1-CB 4.44Å; I194-K211 HydrophobicContact CG1-CD 3.83Å; I194-Y212 HydrophobicContact CD1-CE2 4.5Å
195S86.3Confident75.4Confident42 Ų4263.4 Ų63.429%0.29436%0.363SS..BIsolated β-bridgetrans-129.8140.8171.5-172.30000108.9R206S195-R206 CarbonylContact C-O 3.59Å; S195-R206 VanDerWaalsContact CA-O 3.26Å; S195-R206 WeakPolarHBondContact CA-O 3.21Å
196T82.1Confident75.8Confident63 Ų6362.6 Ų62.639%0.38736%0.356SS..  trans-78.4134.4168.559.50000109.2R206T196-R206 HydrophobicContact CG2-CB 4.29Å; T196-R206 PolarHBondContact N-O 2.93Å; T196-R206 PolarHBondContact OG1-N 3.34Å
197A65.4Low76.4Confident61 Ų6161.8 Ų61.850%0.50435%0.349SS..  trans-61.7140.9175.800000111.7E199A197-E199 VanDerWaalsContact C-N 3.34Å; A197-E199 HydrophobicContact CB-CG 4.35Å; A197-E199 PolarHBondContact O-N 3.45Å
198S55.8Low77.1Confident85 Ų8557.4 Ų57.459%0.59433%0.334SS*.  trans-82.874.816951.10000109.3
199E45.4Very low77.7Confident135 Ų13557.1 Ų57.163%0.63133%0.332SS*.  trans-106.398.1171.7-72.2-177-163.700108.7A197A197-E199 VanDerWaalsContact C-N 3.34Å; A197-E199 HydrophobicContact CB-CG 4.35Å; A197-E199 PolarHBondContact O-N 3.45Å
200G45.9Very low78.5Confident54 Ų5449.3 Ų49.356%0.55730%0.303SS*.SBendtrans123.8143.5177.500000114.1G202G200-G202 PolarHBondContact O-N 3.38Å
201D47.5Very low79.1Confident172 Ų17244.4 Ų44.492%0.9229%0.285SS*.THydrogen-bonded Turntrans-58.6133.5172.5-90.2-24.6000111
202G58.9Low79.8Confident63 Ų6346.5 Ų46.565%0.64929%0.291SS*.THydrogen-bonded Turntrans859.6174.400000116.5G200G200-G202 PolarHBondContact O-N 3.38Å
203V72.9Confident80.4Confident35 Ų3546.2 Ų46.221%0.21229%0.29CS..  trans-98.1114.9175.4-175.10000110.1P205 I290V203-P205 VanDerWaalsContact O-CD 3.26Å; V203-P205 WeakPolarHBondContact O-CD 3.35Å; V203-I290 HydrophobicContact CG1-CD1 4.31Å; V203-I290 HydrophobicContact CG2-CB 4.15Å; V203-I290 HydrophobicContact CG2-CD1 3.58Å; V203-I290 HydrophobicContact CG2-CG1 4.42Å
204V88.1Confident80.9Confident17 Ų1744.5 Ų44.510%0.10328%0.275CS..  trans-81.4115.9173.2-173.10000109.4A155 I156 V160 I163A155-V204 HydrophobicContact CB-CB 4.24Å; A155-V204 HydrophobicContact CB-CG1 4.15Å; A155-V204 HydrophobicContact CB-CG2 3.95Å; I156-V204 HydrophobicContact CG1-CG2 4.2Å; V160-V204 HydrophobicContact CG1-CG1 4.22Å; V160-V204 WeakPolarHBondContact O-CG1 3.19Å; I163-V204 HydrophobicContact CD1-CB 4.31Å; I163-V204 HydrophobicContact CD1-CG1 4.16Å; I163-V204 HydrophobicContact CG1-CB 4.47Å; I163-V204 HydrophobicContact CG1-CG1 3.78Å
205P91.3Very high81.3Confident15 Ų1544.5 Ų44.510%0.09727%0.274CS..  trans-58.2143.7176.9-28.138.9000112.5D161 K162 I163 V203D161-P205 VanDerWaalsContact O-CD 3.3Å; D161-P205 WeakPolarHBondContact O-CD 3.25Å; K162-P205 CarbonylContact C-O 3.55Å; K162-P205 WeakPolarHBondContact CA-O 3.19Å; K162-P205 HydrophobicContact CG-CB 4.31Å; I163-P205 PolarHBondContact N-O 3.11Å; V203-P205 VanDerWaalsContact O-CD 3.26Å; V203-P205 WeakPolarHBondContact O-CD 3.35Å
206R92.4Very high81.7Confident48 Ų4847 Ų4718%0.18128%0.28CS..EExtended strand (participates in β ladder)trans-110.5131.9175.4-57.6-178-176.4-147.46109.8R148 D152 I163 S195 T196R148-R206 PolarHBondContact O-NH2 2.87Å; D152-R206 IonicContact OD1-CZ 3.62Å; D152-R206 IonicContact OD1-NE 3.55Å; D152-R206 PolarHBondContact OD1-NE 2.94Å; D152-R206 IonicContact OD1-NH2 2.85Å; D152-R206 PolarHBondContact OD1-NH2 3.46Å; D152-R206 IonicContact OD2-NH2 3.23Å; D152-R206 PolarHBondContact OD2-NH2 2.97Å; I163-R206 HydrophobicContact CB-CG 4.26Å; I163-R206 CarbonylContact O-C 3.58Å; I163-R206 VanDerWaalsContact O-CA 3.25Å; I163-R206 WeakPolarHBondContact O-CA 3.39Å; S195-R206 CarbonylContact C-O 3.59Å; S195-R206 VanDerWaalsContact CA-O 3.26Å; S195-R206 WeakPolarHBondContact CA-O 3.21Å; T196-R206 HydrophobicContact CG2-CB 4.29Å; T196-R206 PolarHBondContact N-O 2.93Å; T196-R206 PolarHBondContact OG1-N 3.34Å
207C95.4Very high82.5Confident0 Ų044 Ų440%026%0.262CS..EExtended strand (participates in β ladder)trans-124.1159.9176.8620000112.6L46 I163 C164 T165 I194L46-C207 HydrophobicContact CD1-CB 4.23Å; L46-C207 HydrophobicContact CD2-CB 4.14Å; I163-C207 PolarHBondContact O-N 3.21Å; C164-C207 PolarHBondContact SG-SG 3.05Å; T165-C207 PolarHBondContact N-O 3.12Å; I194-C207 CarbonylContact O-C 3.51Å; I194-C207 VanDerWaalsContact O-CA 3.23Å; I194-C207 WeakPolarHBondContact O-CA 3.38Å
208K96.9Very high84Confident40 Ų4041 Ų4117%0.17424%0.237CC..  trans-127.682.2-175.6-59.3171.9-173.3163.10110.5H167 V172 C191 I194 L210 K211H167-K208 HydrophobicContact CB-CD 4.07Å; H167-K208 HydrophobicContact CB-CG 4.19Å; V172-K208 HydrophobicContact CG2-CD 4.35Å; C191-K208 PolarHBondContact O-NZ 3.29Å; I194-K208 PolarHBondContact O-N 3.03Å; K208-L210 PolarHBondContact O-N 3.07Å; K208-K211 HydrophobicContact CB-CB 4.07Å; K208-K211 VanDerWaalsContact O-CB 3.26Å; K208-K211 WeakPolarHBondContact O-CB 3.17Å; K208-K211 PolarHBondContact O-N 3.36Å; K208-K211 VanDerWaalsContact O-N 3.1Å
209P98.1Very high86Confident0 Ų039.7 Ų39.70%023%0.226CC..THydrogen-bonded Turntrans-58.6-30.1178.1-27.838000113.6V37 I41 L46 F47 L66 M70 C164 K211V37-P209 HydrophobicContact CG1-CB 4.2Å; I41-P209 HydrophobicContact CD1-CB 4.2Å; I41-P209 HydrophobicContact CG1-CB 4.05Å; L46-P209 HydrophobicContact CD1-CG 4.37Å; F47-P209 HydrophobicContact CZ-CG 4.31Å; L66-P209 HydrophobicContact CD1-CB 3.86Å; L66-P209 HydrophobicContact CD1-CG 3.82Å; M70-P209 HydrophobicContact SD-CB 4.14Å; M70-P209 HydrophobicContact SD-CG 3.86Å; C164-P209 HydrophobicContact CB-CG 4.38Å; P209-K211 VanDerWaalsContact C-N 3.32Å; P209-K211 PolarHBondContact O-N 3.44Å
210L98.4Very high88.4Confident0 Ų035.5 Ų35.50%021%0.207CC..THydrogen-bonded Turntrans-87.610.4179.2-58.9-176.8000114.1F33 V37 L66 H167 N168 K208 Y212 A213 I218F33-L210 HydrophobicContact CZ-CD2 4.47Å; V37-L210 HydrophobicContact CG1-CD2 4.3Å; V37-L210 HydrophobicContact CG2-CD2 3.72Å; L66-L210 HydrophobicContact CB-CD1 3.94Å; L66-L210 HydrophobicContact CB-CG 4.49Å; L66-L210 HydrophobicContact CD1-CG 4.19Å; H167-L210 CarbonylContact O-C 3.59Å; N168-L210 WeakPolarHBondContact CA-O 3.45Å; K208-L210 PolarHBondContact O-N 3.07Å; L210-Y212 PolarHBondContact O-N 3.16Å; L210-A213 HydrophobicContact CB-CB 4.28Å; L210-A213 HydrophobicContact CD2-CB 4.39Å; L210-A213 WeakPolarHBondContact O-CB 3.26Å; L210-A213 PolarHBondContact O-N 2.9Å; L210-I218 HydrophobicContact CD1-CD1 3.97Å
211K97.1Very high90.9Very high8 Ų833 Ų334%0.03518%0.181CC..THydrogen-bonded Turntrans-49.8-33.9-172.9175179.7171.1-167.40114.6A169 V172 T192 I194 K208 P209 E268A169-K211 WeakPolarHBondContact CA-O 3.34Å; A169-K211 PolarHBondContact N-O 3.46Å; V172-K211 HydrophobicContact CG2-CG 4.36Å; T192-K211 WeakPolarHBondContact O-CE 3.43Å; T192-K211 PolarHBondContact O-NZ 3.46Å; I194-K211 HydrophobicContact CB-CD 3.78Å; I194-K211 HydrophobicContact CD1-CD 4.09Å; I194-K211 HydrophobicContact CG1-CB 4.44Å; I194-K211 HydrophobicContact CG1-CD 3.83Å; K208-K211 HydrophobicContact CB-CB 4.07Å; K208-K211 VanDerWaalsContact O-CB 3.26Å; K208-K211 WeakPolarHBondContact O-CB 3.17Å; K208-K211 PolarHBondContact O-N 3.36Å; K208-K211 VanDerWaalsContact O-N 3.1Å; P209-K211 VanDerWaalsContact C-N 3.32Å; P209-K211 PolarHBondContact O-N 3.44Å; K211-E268 WeakPolarHBondContact CE-OE1 3.42Å; K211-E268 IonicContact NZ-OE1 3.4Å; K211-E268 PolarHBondContact NZ-OE1 3.44Å
212Y97.3Very high93.3Very high58 Ų5824.8 Ų24.823%0.22714%0.137CC..THydrogen-bonded Turntrans-111.111-177.5-56.1-63.4000113.6K19 T40 I194 L210 M261 I264 E268K19-Y212 PolarHBondContact NZ-O 3.1Å; T40-Y212 HydrophobicContact CG2-CD2 3.83Å; T40-Y212 HydrophobicContact CG2-CE2 4.22Å; I194-Y212 HydrophobicContact CD1-CE2 4.5Å; L210-Y212 PolarHBondContact O-N 3.16Å; Y212-M261 HydrophobicContact CD1-CE 3.58Å; Y212-M261 HydrophobicContact CD1-SD 4.23Å; Y212-M261 HydrophobicContact CE1-CE 4.27Å; Y212-M261 HydrophobicContact CG-CE 4.3Å; Y212-I264 HydrophobicContact CD1-CG2 4.49Å; Y212-I264 HydrophobicContact CE1-CG2 3.98Å; Y212-E268 PolarHBondContact OH-OE1 3.21Å
213A97.8Very high95.1Very high6 Ų629.1 Ų29.15%0.0514%0.135CC..SBendtrans-91.2131174.300000109.7F33 N168 A169 L210 I218F33-A213 HydrophobicContact CE2-CB 3.92Å; F33-A213 HydrophobicContact CZ-CB 4.21Å; N168-A213 WeakPolarHBondContact CB-O 3.47Å; A169-A213 VanDerWaalsContact CB-O 3.24Å; A169-A213 WeakPolarHBondContact CB-O 3.49Å; A169-A213 PolarHBondContact N-O 2.7Å; L210-A213 HydrophobicContact CB-CB 4.28Å; L210-A213 HydrophobicContact CD2-CB 4.39Å; L210-A213 WeakPolarHBondContact O-CB 3.26Å; L210-A213 PolarHBondContact O-N 2.9Å; A213-I218 HydrophobicContact CB-CD1 4.32Å; A213-I218 HydrophobicContact CB-CG1 4.34Å
214Y97.1Very high96.3Very high2 Ų229.1 Ų29.11%0.00813%0.132CC..  trans-74.5143.4178.8-8242.4000110.1P18 K19 A169 K216 E217 I218 P257 I260 M261P18-Y214 HydrophobicContact CB-CD2 4.34Å; K19-Y214 HydrophobicContact CB-CD1 3.97Å; K19-Y214 HydrophobicContact CB-CD2 4.35Å; K19-Y214 HydrophobicContact CB-CE1 3.98Å; K19-Y214 HydrophobicContact CB-CE2 4.36Å; K19-Y214 HydrophobicContact CB-CG 4.17Å; K19-Y214 HydrophobicContact CD-CD1 3.97Å; K19-Y214 HydrophobicContact CD-CE1 3.96Å; K19-Y214 HydrophobicContact CG-CD1 3.98Å; K19-Y214 HydrophobicContact CG-CE1 3.65Å; A169-Y214 HydrophobicContact CB-CD1 4.23Å; Y214-K216 PolarHBondContact O-N 3.18Å; Y214-E217 PolarHBondContact O-N 3.09Å; Y214-I218 PolarHBondContact O-N 3.2Å; Y214-P257 WeakPolarHBondContact CE2-O 3.27Å; Y214-P257 PolarHBondContact OH-O 2.98Å; Y214-I260 HydrophobicContact CD2-CD1 3.84Å; Y214-I260 HydrophobicContact CE1-CB 4.46Å; Y214-I260 HydrophobicContact CE1-CG2 4.4Å; Y214-I260 HydrophobicContact CE2-CB 4.25Å; Y214-I260 HydrophobicContact CE2-CD1 3.68Å; Y214-I260 HydrophobicContact CE2-CG1 4.44Å; Y214-M261 HydrophobicContact CE1-CG 3.56Å; Y214-M261 HydrophobicContact CE1-SD 3.96Å; Y214-M261 WeakPolarHBondContact OH-CG 3.19Å
215E96.8Very high96.7Very high30 Ų3031.3 Ų31.314%0.1414%0.141CC..Hα-helixtrans-55.5-42.2177-176.3176.1-122.700111.4K61 D170 E217 I218 V219K61-E215 VanDerWaalsContact CE-CG 3.47Å; K61-E215 WeakPolarHBondContact CE-OE1 3.46Å; K61-E215 IonicContact NZ-OE1 2.66Å; K61-E215 PolarHBondContact NZ-OE1 3.4Å; D170-E215 HydrophobicContact CB-CB 4.19Å; D170-E215 WeakPolarHBondContact OD2-CB 3.46Å; D170-E215 PolarHBondContact OD2-N 3.31Å; E215-E217 VanDerWaalsContact C-N 3.29Å; E215-E217 PolarHBondContact O-N 3.25Å; E215-I218 WeakPolarHBondContact O-CB 3.41Å; E215-I218 PolarHBondContact O-N 3.33Å; E215-I218 VanDerWaalsContact O-N 3.16Å; E215-V219 WeakPolarHBondContact O-CG2 3.46Å; E215-V219 PolarHBondContact O-N 3.09Å
216K95.8Very high96.9Very high94 Ų9439.4 Ų39.441%0.40917%0.174SC..Hα-helixtrans-60.5-36.6176.3-69.6178-175156.40112.7P18 Y214 V219 L220 E253P18-K216 HydrophobicContact CB-CB 4.11Å; P18-K216 HydrophobicContact CB-CD 4.16Å; P18-K216 HydrophobicContact CG-CB 3.66Å; P18-K216 HydrophobicContact CG-CD 4.24Å; Y214-K216 PolarHBondContact O-N 3.18Å; K216-V219 PolarHBondContact O-N 3Å; K216-L220 VanDerWaalsContact O-CG 3.25Å; K216-L220 WeakPolarHBondContact O-CG 3.36Å; K216-L220 PolarHBondContact O-N 2.69Å; K216-E253 WeakPolarHBondContact CE-OE1 3.1Å; K216-E253 WeakPolarHBondContact CE-OE2 3.42Å; K216-E253 IonicContact NZ-OE1 2.77Å; K216-E253 PolarHBondContact NZ-OE1 3.33Å; K216-E253 IonicContact NZ-OE2 2.68Å; K216-E253 PolarHBondContact NZ-OE2 3.17Å
217E97.3Very high97.1Very high0 Ų037.7 Ų37.70%017%0.169CC..Hα-helixtrans-71.1-38.2176.2-69.2-166.9155.200111.4R17 P18 F29 F33 Y214 E215 V219 L220 Y221R17-E217 WeakPolarHBondContact CB-OE1 3.38Å; R17-E217 IonicContact CZ-OE1 3.47Å; R17-E217 IonicContact CZ-OE2 2.67Å; R17-E217 IonicContact NE-OE1 3.83Å; R17-E217 PolarHBondContact NE-OE1 3.13Å; R17-E217 IonicContact NE-OE2 3.03Å; R17-E217 IonicContact NH2-OE1 3.19Å; R17-E217 PolarHBondContact NH2-OE1 2.95Å; R17-E217 IonicContact NH2-OE2 3.64Å; R17-E217 PolarHBondContact NH2-OE2 3Å; P18-E217 HydrophobicContact CG-CG 4.11Å; F29-E217 HydrophobicContact CE2-CB 4.29Å; F29-E217 HydrophobicContact CE2-CG 4.28Å; F29-E217 HydrophobicContact CZ-CB 4.32Å; F33-E217 HydrophobicContact CD2-CB 3.97Å; F33-E217 HydrophobicContact CE2-CB 3.89Å; Y214-E217 PolarHBondContact O-N 3.09Å; E215-E217 VanDerWaalsContact C-N 3.29Å; E215-E217 PolarHBondContact O-N 3.25Å; E217-V219 VanDerWaalsContact C-N 3.34Å; E217-V219 PolarHBondContact O-N 2.83Å; E217-L220 PolarHBondContact O-N 2.92Å; E217-Y221 VanDerWaalsContact O-CB 3.23Å; E217-Y221 WeakPolarHBondContact O-CB 3.48Å; E217-Y221 PolarHBondContact O-N 3.12Å
218I98.1Very high96.9Very high0 Ų040.2 Ų40.20%018%0.182CC..Hα-helixtrans-59.8-45.3173.1-67.5167.5000110.6F33 K61 D62 V65 N168 L210 A213 Y214 E215 Y221 A222F33-I218 HydrophobicContact CE2-CG1 4.15Å; F33-I218 HydrophobicContact CZ-CG1 3.87Å; K61-I218 HydrophobicContact CG-CG2 4.35Å; D62-I218 HydrophobicContact CB-CG2 4.47Å; V65-I218 HydrophobicContact CB-CG2 3.99Å; V65-I218 HydrophobicContact CG1-CG2 4.24Å; V65-I218 HydrophobicContact CG2-CG2 3.82Å; N168-I218 HydrophobicContact CB-CD1 3.32Å; L210-I218 HydrophobicContact CD1-CD1 3.97Å; A213-I218 HydrophobicContact CB-CD1 4.32Å; A213-I218 HydrophobicContact CB-CG1 4.34Å; Y214-I218 PolarHBondContact O-N 3.2Å; E215-I218 WeakPolarHBondContact O-CB 3.41Å; E215-I218 PolarHBondContact O-N 3.33Å; E215-I218 VanDerWaalsContact O-N 3.16Å; I218-Y221 PolarHBondContact O-N 2.94Å; I218-A222 WeakPolarHBondContact O-CB 3.45Å; I218-A222 PolarHBondContact O-N 3.48Å
219V96.6Very high96.7Very high57 Ų5741.6 Ų41.635%0.34519%0.187SC..Hα-helixtrans-59.4-49.7175.6173.20000111K61 E215 K216 E217 Y221 A222 Y223K61-V219 HydrophobicContact CD-CG2 3.62Å; E215-V219 WeakPolarHBondContact O-CG2 3.46Å; E215-V219 PolarHBondContact O-N 3.09Å; K216-V219 PolarHBondContact O-N 3Å; E217-V219 VanDerWaalsContact C-N 3.34Å; E217-V219 PolarHBondContact O-N 2.83Å; V219-Y221 VanDerWaalsContact C-N 3.32Å; V219-Y221 PolarHBondContact O-N 3.23Å; V219-A222 PolarHBondContact O-N 3.37Å; V219-Y223 VanDerWaalsContact O-CB 3.31Å; V219-Y223 WeakPolarHBondContact O-CB 3.39Å; V219-Y223 PolarHBondContact O-N 3.37Å
220L97.2Very high96.3Very high47 Ų4742.9 Ų42.925%0.24619%0.192CC..Hα-helixtrans-62.2-40.9178.9-71.5171.4000111.8P18 F29 K216 E217 Y223 F224P18-L220 HydrophobicContact CG-CD1 4.35Å; F29-L220 HydrophobicContact CE1-CB 4.12Å; F29-L220 HydrophobicContact CZ-CB 4.05Å; K216-L220 VanDerWaalsContact O-CG 3.25Å; K216-L220 WeakPolarHBondContact O-CG 3.36Å; K216-L220 PolarHBondContact O-N 2.69Å; E217-L220 PolarHBondContact O-N 2.92Å; L220-Y223 PolarHBondContact O-N 2.85Å; L220-F224 HydrophobicContact CB-CD2 4.35Å; L220-F224 HydrophobicContact CB-CE2 4.19Å; L220-F224 HydrophobicContact CD2-CE2 4.06Å; L220-F224 HydrophobicContact CD2-CZ 4.43Å; L220-F224 WeakPolarHBondContact O-CB 3.42Å; L220-F224 WeakPolarHBondContact O-CD2 3.48Å; L220-F224 WeakPolarHBondContact O-CG 3.37Å; L220-F224 PolarHBondContact O-N 2.97Å
221Y98.3Very high95.8Very high0 Ų047.4 Ų47.40%022%0.224CC..Hα-helixtrans-63.1-50.6178.1-172.2-87000110.9F29 F30 F33 E34 V65 H68 V69 E217 I218 V219 Y223 F224 K225F29-Y221 HydrophobicContact CE1-CD2 4.23Å; F30-Y221 HydrophobicContact CB-CE2 4.35Å; F30-Y221 AromaticContact CD1-CD2 3.85Å; F30-Y221 HydrophobicContact CD1-CD2 3.85Å; F30-Y221 AromaticContact CD1-CE2 3.83Å; F30-Y221 HydrophobicContact CD1-CE2 3.83Å; F30-Y221 HydrophobicContact CE1-CD2 4.4Å; F30-Y221 HydrophobicContact CG-CE2 4.42Å; F33-Y221 HydrophobicContact CB-CD2 4.09Å; F33-Y221 HydrophobicContact CB-CE2 4.44Å; F33-Y221 HydrophobicContact CD1-CD1 4.43Å; F33-Y221 AromaticContact CD1-CD2 3.36Å; F33-Y221 HydrophobicContact CD1-CD2 3.36Å; F33-Y221 AromaticContact CD1-CE2 3.64Å; F33-Y221 HydrophobicContact CD1-CE2 3.64Å; F33-Y221 AromaticContact CD1-CG 3.81Å; F33-Y221 HydrophobicContact CD1-CG 3.81Å; F33-Y221 HydrophobicContact CE1-CD1 4.22Å; F33-Y221 AromaticContact CE1-CD2 3.94Å; F33-Y221 HydrophobicContact CE1-CD2 3.94Å; F33-Y221 HydrophobicContact CE1-CE2 4.32Å; F33-Y221 AromaticContact CE1-CG 3.89Å; F33-Y221 HydrophobicContact CE1-CG 3.89Å; F33-Y221 AromaticContact CG-CD2 3.82Å; F33-Y221 HydrophobicContact CG-CD2 3.82Å; F33-Y221 HydrophobicContact CG-CE2 4.34Å; F33-Y221 HydrophobicContact CG-CG 4.39Å; E34-Y221 HydrophobicContact CG-CE2 3.87Å; E34-Y221 WeakPolarHBondContact CG-OH 3.48Å; E34-Y221 WeakPolarHBondContact OE1-CE2 3.37Å; E34-Y221 PolarHBondContact OE1-OH 3.07Å; V65-Y221 HydrophobicContact CG1-CD1 3.89Å; V65-Y221 HydrophobicContact CG1-CE1 4.34Å; V65-Y221 HydrophobicContact CG2-CD1 4.17Å; H68-Y221 AromaticContact CD2-CE1 3.72Å; H68-Y221 PolarHBondContact CD2-OH 3.41Å; H68-Y221 PolarHBondContact NE2-OH 2.93Å; V69-Y221 HydrophobicContact CG2-CE1 3.88Å; E217-Y221 VanDerWaalsContact O-CB 3.23Å; E217-Y221 WeakPolarHBondContact O-CB 3.48Å; E217-Y221 PolarHBondContact O-N 3.12Å; I218-Y221 PolarHBondContact O-N 2.94Å; V219-Y221 VanDerWaalsContact C-N 3.32Å; V219-Y221 PolarHBondContact O-N 3.23Å; Y221-Y223 VanDerWaalsContact C-N 3.34Å; Y221-Y223 PolarHBondContact O-N 2.73Å; Y221-F224 PolarHBondContact O-N 3Å; Y221-K225 HydrophobicContact CD1-CG 4.16Å; Y221-K225 HydrophobicContact CE1-CG 3.84Å; Y221-K225 HydrophobicContact CE2-CG 4.4Å; Y221-K225 VanDerWaalsContact O-CB 3.32Å; Y221-K225 WeakPolarHBondContact O-CB 3.28Å; Y221-K225 WeakPolarHBondContact O-CG 3.36Å; Y221-K225 PolarHBondContact O-N 2.6Å; Y221-K225 WeakPolarHBondContact OH-CE 3.36Å; Y221-K225 PolarHBondContact OH-NZ 3.44Å
222A97.5Very high95.3Very high1 Ų150.8 Ų50.81%0.00825%0.245CC..Hα-helixtrans-57.5-46.7176.200000111.9V65 I218 V219 K226 L227 Y229V65-A222 HydrophobicContact CG2-CB 3.71Å; I218-A222 WeakPolarHBondContact O-CB 3.45Å; I218-A222 PolarHBondContact O-N 3.48Å; V219-A222 PolarHBondContact O-N 3.37Å; A222-K226 WeakPolarHBondContact O-CA 3.32Å; A222-K226 PolarHBondContact O-N 3.46Å; A222-L227 HydrophobicContact CB-CB 4.48Å; A222-L227 HydrophobicContact CB-CD1 4.41Å; A222-L227 PolarHBondContact O-N 3.24Å; A222-Y229 HydrophobicContact CB-CD1 4.03Å; A222-Y229 HydrophobicContact CB-CE1 3.74Å
223Y96.9Very high94.8Very high154 Ų15454.6 Ų54.660%0.60427%0.265SS*.Hα-helixtrans-61.3-50.2178.9174.8-102.3000112.3V219 L220 Y221 K225 K226V219-Y223 VanDerWaalsContact O-CB 3.31Å; V219-Y223 WeakPolarHBondContact O-CB 3.39Å; V219-Y223 PolarHBondContact O-N 3.37Å; L220-Y223 PolarHBondContact O-N 2.85Å; Y221-Y223 VanDerWaalsContact C-N 3.34Å; Y221-Y223 PolarHBondContact O-N 2.73Å; Y223-K225 PolarHBondContact O-N 2.94Å; Y223-K226 PolarHBondContact O-N 2.72Å; Y223-K226 VanDerWaalsContact O-N 3.11Å
224F97.3Very high94.4Very high35 Ų3555.5 Ų55.515%0.15427%0.271CS..Hα-helixtrans-72.4-30.4-176.6-70.8-45.8000113.7V14 L15 K26 F29 F30 L220 Y221V14-F224 HydrophobicContact CG2-CZ 4.33Å; L15-F224 HydrophobicContact CB-CE2 4.32Å; L15-F224 HydrophobicContact CD2-CD2 4.03Å; L15-F224 HydrophobicContact CD2-CE2 3.39Å; L15-F224 HydrophobicContact CD2-CZ 4.24Å; L15-F224 HydrophobicContact CG-CE2 4.48Å; K26-F224 HydrophobicContact CD-CB 4.48Å; K26-F224 HydrophobicContact CD-CD1 4.07Å; K26-F224 HydrophobicContact CD-CG 4.34Å; K26-F224 VanDerWaalsContact CE-CD1 3.46Å; K26-F224 HydrophobicContact CG-CD1 4.46Å; K26-F224 HydrophobicContact CG-CG 4.47Å; F29-F224 HydrophobicContact CD1-CD2 4.25Å; F29-F224 HydrophobicContact CE1-CD2 4.25Å; F30-F224 HydrophobicContact CE1-CB 3.62Å; F30-F224 HydrophobicContact CZ-CB 3.6Å; L220-F224 HydrophobicContact CB-CD2 4.35Å; L220-F224 HydrophobicContact CB-CE2 4.19Å; L220-F224 HydrophobicContact CD2-CE2 4.06Å; L220-F224 HydrophobicContact CD2-CZ 4.43Å; L220-F224 WeakPolarHBondContact O-CB 3.42Å; L220-F224 WeakPolarHBondContact O-CD2 3.48Å; L220-F224 WeakPolarHBondContact O-CG 3.37Å; L220-F224 PolarHBondContact O-N 2.97Å; Y221-F224 PolarHBondContact O-N 3Å
225K96.9Very high94Very high63 Ų6360.1 Ų60.127%0.27430%0.295SS..Hα-helixtrans-79.2-8.8171.3-68.6-78.2-175.5150.80112.7F30 E34 Y221 Y223 L227F30-K225 HydrophobicContact CD1-CD 4.41Å; F30-K225 HydrophobicContact CD1-CG 4.36Å; F30-K225 HydrophobicContact CD2-CD 4.4Å; F30-K225 HydrophobicContact CE1-CD 4.07Å; F30-K225 HydrophobicContact CE1-CG 3.79Å; F30-K225 HydrophobicContact CE2-CD 4.05Å; F30-K225 VanDerWaalsContact CG-CE 3.45Å; F30-K225 HydrophobicContact CZ-CD 3.86Å; F30-K225 HydrophobicContact CZ-CG 3.92Å; E34-K225 IonicContact OE1-NZ 2.67Å; E34-K225 PolarHBondContact OE1-NZ 3.12Å; Y221-K225 HydrophobicContact CD1-CG 4.16Å; Y221-K225 HydrophobicContact CE1-CG 3.84Å; Y221-K225 HydrophobicContact CE2-CG 4.4Å; Y221-K225 VanDerWaalsContact O-CB 3.32Å; Y221-K225 WeakPolarHBondContact O-CB 3.28Å; Y221-K225 WeakPolarHBondContact O-CG 3.36Å; Y221-K225 PolarHBondContact O-N 2.6Å; Y221-K225 WeakPolarHBondContact OH-CE 3.36Å; Y221-K225 PolarHBondContact OH-NZ 3.44Å; Y223-K225 PolarHBondContact O-N 2.94Å; K225-L227 VanDerWaalsContact C-N 3.29Å; K225-L227 HydrophobicContact CB-CD2 3.69Å; K225-L227 HydrophobicContact CB-CG 3.79Å; K225-L227 PolarHBondContact O-N 3.28Å
226K96.1Very high93.7Very high184 Ų18460.3 Ų60.380%0.829%0.294SS*.THydrogen-bonded Turntrans54.645.1-175.2-55.1-179.9178.4-176.90111.8A222 Y223A222-K226 WeakPolarHBondContact O-CA 3.32Å; A222-K226 PolarHBondContact O-N 3.46Å; Y223-K226 PolarHBondContact O-N 2.72Å; Y223-K226 VanDerWaalsContact O-N 3.11Å
227L95.3Very high93.3Very high13 Ų1357.7 Ų57.77%0.06829%0.288CS..  trans-69.6143.1177.8-55.3-174.2000110T64 V65 H68 A222 K225 Y229T64-L227 HydrophobicContact CG2-CB 4.04Å; T64-L227 HydrophobicContact CG2-CD1 4.37Å; V65-L227 HydrophobicContact CG2-CD1 3.82Å; H68-L227 HydrophobicContact CB-CD1 4.07Å; A222-L227 HydrophobicContact CB-CB 4.48Å; A222-L227 HydrophobicContact CB-CD1 4.41Å; A222-L227 PolarHBondContact O-N 3.24Å; K225-L227 VanDerWaalsContact C-N 3.29Å; K225-L227 HydrophobicContact CB-CD2 3.69Å; K225-L227 HydrophobicContact CB-CG 3.79Å; K225-L227 PolarHBondContact O-N 3.28Å; L227-Y229 VanDerWaalsContact O-CD1 3.27Å; L227-Y229 WeakPolarHBondContact O-CD1 3.4Å; L227-Y229 PolarHBondContact O-N 3.11Å
228D92.2Very high92.7Very high53 Ų5362.1 Ų62.128%0.28332%0.317SS..  trans-84.9107.3176.1-177.45.6000109.7T64 T102 R105 N106T64-D228 WeakPolarHBondContact CG2-O 3.22Å; T102-D228 WeakPolarHBondContact CG2-O 3.4Å; R105-D228 IonicContact CZ-OD1 2.88Å; R105-D228 IonicContact CZ-OD2 3.53Å; R105-D228 IonicContact NE-OD1 3.76Å; R105-D228 IonicContact NE-OD2 3.22Å; R105-D228 PolarHBondContact NE-OD2 3Å; R105-D228 IonicContact NH2-OD1 2.67Å; R105-D228 PolarHBondContact NH2-OD1 2.95Å; R105-D228 IonicContact NH2-OD2 2.78Å; R105-D228 PolarHBondContact NH2-OD2 2.96Å; N106-D228 PolarHBondContact ND2-O 3.31Å
229Y92.5Very high91.8Very high69 Ų6966.8 Ų66.827%0.27134%0.341SS..  trans-138151.8179.267.4-91.5000111.2K61 A222 L227K61-Y229 HydrophobicContact CB-CD2 3.79Å; K61-Y229 HydrophobicContact CB-CE2 4.04Å; K61-Y229 HydrophobicContact CB-CG 4.09Å; A222-Y229 HydrophobicContact CB-CD1 4.03Å; A222-Y229 HydrophobicContact CB-CE1 3.74Å; L227-Y229 VanDerWaalsContact O-CD1 3.27Å; L227-Y229 WeakPolarHBondContact O-CD1 3.4Å; L227-Y229 PolarHBondContact O-N 3.11Å
230F90.7Very high91.2Very high26 Ų2665.2 Ų65.211%0.11433%0.334CS..BIsolated β-bridgetrans-85.3128.1174.1-172.7-112.2000109.9G59 G60 Y95 D98 T102 T232G59-F230 WeakPolarHBondContact O-CB 3.32Å; G59-F230 PolarHBondContact O-N 2.98Å; G60-F230 WeakPolarHBondContact CA-O 3.46Å; Y95-F230 AromaticContact CD2-CE1 3.76Å; Y95-F230 HydrophobicContact CD2-CE1 3.76Å; Y95-F230 HydrophobicContact CD2-CZ 4.3Å; Y95-F230 HydrophobicContact CE2-CD1 4.39Å; Y95-F230 AromaticContact CE2-CE1 3.6Å; Y95-F230 HydrophobicContact CE2-CE1 3.6Å; D98-F230 HydrophobicContact CB-CD2 4.01Å; D98-F230 HydrophobicContact CB-CE2 3.36Å; D98-F230 HydrophobicContact CB-CZ 3.86Å; T102-F230 HydrophobicContact CG2-CB 4.48Å; F230-T232 VanDerWaalsContact CZ-CB 3.4Å; F230-T232 HydrophobicContact CZ-CG2 4.32Å; F230-T232 WeakPolarHBondContact CZ-OG1 3.27Å
231S86.9Confident90.7Very high95 Ų9567.9 Ų67.966%0.66434%0.342SS*.  trans-108.1-12.5-172.357.50000114.4
232T86.4Confident90.3Very high79 Ų7971.7 Ų71.749%0.48536%0.356SS..PPolyproline II helixtrans-66.4137.6-179.6-47.10000110Y95 F230Y95-T232 VanDerWaalsContact CE2-O 3.29Å; Y95-T232 WeakPolarHBondContact CE2-O 3.49Å; F230-T232 VanDerWaalsContact CZ-CB 3.4Å; F230-T232 HydrophobicContact CZ-CG2 4.32Å; F230-T232 WeakPolarHBondContact CZ-OG1 3.27Å
233E86.6Confident90Very high138 Ų13873.2 Ų73.265%0.64537%0.372SS*.PPolyproline II helixtrans-81.6155.8172.9-66.7-162.3161.100111.4Y95 I235Y95-E233 WeakPolarHBondContact CE2-O 3.16Å; E233-I235 PolarHBondContact O-N 2.91Å
234C89.1Confident89.7Confident25 Ų2573.5 Ų73.517%0.16937%0.373CS..PPolyproline II helixtrans-68.3131.5180174.40000110.8Y95 Y236 S237Y95-C234 HydrophobicContact CE1-CB 4.16Å; Y95-C234 VanDerWaalsContact CE2-CA 3.47Å; Y95-C234 HydrophobicContact CE2-CB 4.06Å; C234-Y236 PolarHBondContact O-N 3.46Å; C234-Y236 PolarHBondContact SG-N 3.07Å; C234-S237 PolarHBondContact O-N 2.74Å; C234-S237 PolarHBondContact O-OG 2.68Å
235I90.8Very high89.5Confident99 Ų9972 Ų7251%0.50837%0.368SS..THydrogen-bonded Turntrans-59.7-20.5179.261.5172000113.9I92 E233 P238I92-I235 HydrophobicContact CG2-CD1 4.02Å; I92-I235 HydrophobicContact CG2-CG1 4Å; E233-I235 PolarHBondContact O-N 2.91Å; I235-P238 WeakPolarHBondContact O-CD 3.12Å
236Y89.4Confident89.4Confident35 Ų3572.1 Ų72.114%0.13737%0.367CS..THydrogen-bonded Turntrans-98.7-7.3179.6-58.7-41000114.3I92 D128 V131 L136 C234I92-Y236 HydrophobicContact CD1-CD2 4.21Å; I92-Y236 HydrophobicContact CG1-CD2 4.41Å; I92-Y236 HydrophobicContact CG1-CE2 4.38Å; I92-Y236 HydrophobicContact CG2-CD2 4.25Å; I92-Y236 HydrophobicContact CG2-CE2 3.97Å; D128-Y236 WeakPolarHBondContact OD1-CE2 3.23Å; D128-Y236 PolarHBondContact OD1-OH 2.93Å; D128-Y236 VanDerWaalsContact OD1-OH 3.11Å; V131-Y236 HydrophobicContact CB-CE1 4.28Å; V131-Y236 HydrophobicContact CB-CE2 4.25Å; V131-Y236 HydrophobicContact CG1-CD1 4.26Å; V131-Y236 HydrophobicContact CG1-CE1 3.76Å; V131-Y236 HydrophobicContact CG2-CD1 4.16Å; V131-Y236 HydrophobicContact CG2-CD2 3.78Å; V131-Y236 HydrophobicContact CG2-CE1 4.1Å; V131-Y236 HydrophobicContact CG2-CE2 3.69Å; V131-Y236 HydrophobicContact CG2-CG 4.01Å; L136-Y236 HydrophobicContact CD2-CD1 3.96Å; L136-Y236 HydrophobicContact CD2-CE1 4.1Å; C234-Y236 PolarHBondContact O-N 3.46Å; C234-Y236 PolarHBondContact SG-N 3.07Å
237S87.5Confident89.3Confident39 Ų3967.3 Ų67.327%0.27335%0.352SS..  trans-75.4-21.6178.560.50000117.4C234 N239 A240C234-S237 PolarHBondContact O-N 2.74Å; C234-S237 PolarHBondContact O-OG 2.68Å; S237-N239 PolarHBondContact O-N 3.01Å; S237-N239 VanDerWaalsContact O-N 3.07Å; S237-A240 WeakPolarHBondContact O-CB 3.3Å; S237-A240 PolarHBondContact O-N 3.19Å
238P84.6Confident89.4Confident93 Ų9371.4 Ų71.460%0.60437%0.37SS*.THydrogen-bonded Turntrans-55.7-31.6-174.6-30.636.6000115.1I235 A240I235-P238 WeakPolarHBondContact O-CD 3.12Å; P238-A240 VanDerWaalsContact C-N 3.3Å; P238-A240 PolarHBondContact O-N 2.63Å
239N79Confident89.5Confident97 Ų9769 Ų6952%0.51936%0.357SS..THydrogen-bonded Turntrans-87.46.1179.5-65-46.5000113.7S237S237-N239 PolarHBondContact O-N 3.01Å; S237-N239 VanDerWaalsContact O-N 3.07Å
240A84.9Confident89.6Confident24 Ų2470.2 Ų70.220%0.19836%0.364CS..  trans-76.3129.6-179.600000111.2S237 P238 R242 G243S237-A240 WeakPolarHBondContact O-CB 3.3Å; S237-A240 PolarHBondContact O-N 3.19Å; P238-A240 VanDerWaalsContact C-N 3.3Å; P238-A240 PolarHBondContact O-N 2.63Å; A240-R242 PolarHBondContact O-N 3.4Å; A240-G243 PolarHBondContact O-N 2.83Å
241Y85.8Confident89.9Confident103 Ų10373.1 Ų73.140%0.40438%0.381SS..THydrogen-bonded Turntrans-53.7-29.6178.5179.8-100.8000114.1M178 G243 Y244M178-Y241 HydrophobicContact CE-CD1 3.98Å; M178-Y241 HydrophobicContact CG-CD1 4.26Å; M178-Y241 HydrophobicContact CG-CE1 4.01Å; Y241-G243 PolarHBondContact O-N 2.82Å; Y241-Y244 HydrophobicContact CD2-CD2 4.36Å; Y241-Y244 PolarHBondContact O-N 3.21Å
242R90.3Very high90.3Very high80 Ų8071.1 Ų71.130%0.30236%0.362SS..Hα-helixtrans-58.5-30.3177.4-179.8173.3-79.1-171.4-7.2112.7E174 T175 M178 A240 Y244 A245 R246E174-R242 WeakPolarHBondContact OE2-CD 3.17Å; E174-R242 WeakPolarHBondContact OE2-CG 3.29Å; E174-R242 IonicContact OE2-NE 3.06Å; T175-R242 PolarHBondContact OG1-NH2 2.96Å; M178-R242 HydrophobicContact CE-CB 4.37Å; M178-R242 HydrophobicContact SD-CB 3.89Å; M178-R242 HydrophobicContact SD-CG 3.99Å; A240-R242 PolarHBondContact O-N 3.4Å; R242-Y244 VanDerWaalsContact C-N 3.29Å; R242-Y244 PolarHBondContact O-N 3.26Å; R242-A245 PolarHBondContact O-N 2.88Å; R242-R246 PolarHBondContact O-N 2.79Å
243G90.8Very high90.6Very high33 Ų3367.7 Ų67.734%0.3434%0.34SS..Hα-helixtrans-57.1-40.8176.400000112.8A240 Y241 R246 T247A240-G243 PolarHBondContact O-N 2.83Å; Y241-G243 PolarHBondContact O-N 2.82Å; G243-R246 WeakPolarHBondContact O-CB 3.2Å; G243-R246 PolarHBondContact O-N 3Å; G243-T247 PolarHBondContact O-N 3.35Å; G243-T247 PolarHBondContact O-OG1 3.32Å
244Y91.5Very high90.9Very high160 Ų16065.6 Ų65.663%0.62734%0.341SS*.Hα-helixtrans-67.8-41.1177.1-59.7-77.8000112.6Y241 R242 R246 T247 F248Y241-Y244 HydrophobicContact CD2-CD2 4.36Å; Y241-Y244 PolarHBondContact O-N 3.21Å; R242-Y244 VanDerWaalsContact C-N 3.29Å; R242-Y244 PolarHBondContact O-N 3.26Å; Y244-R246 VanDerWaalsContact C-N 3.3Å; Y244-R246 PolarHBondContact O-N 3.45Å; Y244-T247 PolarHBondContact O-N 3.37Å; Y244-F248 PolarHBondContact O-N 2.93Å; Y244-F248 VanDerWaalsContact O-N 3.07Å
245A92.9Very high91.1Very high5 Ų571 Ų714%0.04137%0.367CS..Hα-helixtrans-63.1-39.1175.800000111.4L177 M178 R242 L249L177-A245 HydrophobicContact CD2-CB 4.19Å; M178-A245 HydrophobicContact CG-CB 3.59Å; M178-A245 HydrophobicContact SD-CB 4.11Å; R242-A245 PolarHBondContact O-N 2.88Å; A245-L249 WeakPolarHBondContact O-CB 3.23Å; A245-L249 PolarHBondContact O-N 3.49Å
246R94.3Very high91.2Very high65 Ų6573.3 Ų73.325%0.24537%0.369CS..Hα-helixtrans-62.3-48174.8-178.2175.4-63.8160.6-1.5112.2E174 R242 G243 Y244 F248 L249 K250E174-R246 HydrophobicContact CG-CB 4.39Å; E174-R246 VanDerWaalsContact OE1-CB 3.27Å; E174-R246 WeakPolarHBondContact OE1-CB 3.37Å; E174-R246 VanDerWaalsContact OE1-CG 3.25Å; E174-R246 WeakPolarHBondContact OE1-CG 3.39Å; E174-R246 IonicContact OE1-CZ 2.72Å; E174-R246 IonicContact OE1-NE 3.35Å; E174-R246 PolarHBondContact OE1-NE 3.05Å; E174-R246 IonicContact OE1-NH2 3.46Å; E174-R246 IonicContact OE2-NE 2.88Å; E174-R246 IonicContact OE2-NH2 3.24Å; R242-R246 PolarHBondContact O-N 2.79Å; G243-R246 WeakPolarHBondContact O-CB 3.2Å; G243-R246 PolarHBondContact O-N 3Å; Y244-R246 VanDerWaalsContact C-N 3.3Å; Y244-R246 PolarHBondContact O-N 3.45Å; R246-F248 PolarHBondContact O-N 3.43Å; R246-L249 PolarHBondContact O-N 3.03Å; R246-K250 HydrophobicContact CG-CD 4.32Å; R246-K250 WeakPolarHBondContact O-CG 3.47Å; R246-K250 PolarHBondContact O-N 2.88Å
247T94.9Very high91.1Very high82 Ų8274.8 Ų74.850%0.50338%0.383SS..Hα-helixtrans-58.8-48.9177.9-58.90000110.8G243 Y244 L249 K250 D251G243-T247 PolarHBondContact O-N 3.35Å; G243-T247 PolarHBondContact O-OG1 3.32Å; Y244-T247 PolarHBondContact O-N 3.37Å; T247-L249 VanDerWaalsContact C-N 3.34Å; T247-L249 PolarHBondContact O-N 3.48Å; T247-K250 WeakPolarHBondContact O-CB 3.13Å; T247-K250 PolarHBondContact O-N 2.98Å; T247-K250 VanDerWaalsContact O-N 3.15Å; T247-D251 PolarHBondContact O-N 3.41Å
248F95.4Very high91.4Very high100 Ų10074.6 Ų74.644%0.43938%0.382SS..Hα-helixtrans-61-40.7177.6-179.4-106.7000112.9L177 Y244 R246 K250 D251 L252L177-F248 HydrophobicContact CD1-CD1 4.37Å; L177-F248 HydrophobicContact CD1-CE1 4.18Å; L177-F248 HydrophobicContact CD2-CD1 3.54Å; L177-F248 HydrophobicContact CD2-CE1 4.16Å; Y244-F248 PolarHBondContact O-N 2.93Å; Y244-F248 VanDerWaalsContact O-N 3.07Å; R246-F248 PolarHBondContact O-N 3.43Å; F248-K250 VanDerWaalsContact C-N 3.33Å; F248-K250 PolarHBondContact O-N 2.86Å; F248-D251 PolarHBondContact O-N 3.42Å; F248-L252 HydrophobicContact CD1-CD1 4.07Å; F248-L252 HydrophobicContact CE1-CD1 3.6Å; F248-L252 HydrophobicContact CE1-CG 4.21Å; F248-L252 HydrophobicContact CZ-CD1 4.02Å; F248-L252 HydrophobicContact CZ-CD2 4.3Å; F248-L252 HydrophobicContact CZ-CG 4.26Å; F248-L252 WeakPolarHBondContact O-CG 3.4Å; F248-L252 PolarHBondContact O-N 3.2Å; F248-L252 VanDerWaalsContact O-N 3.1Å
249L95.6Very high91.9Very high2 Ų271.1 Ų71.11%0.0136%0.36CS..Hα-helixtrans-63-39.8176.2-176.865000111.9D170 A173 E174 A245 R246 T247 D251 L252 E253 I260 I263D170-L249 HydrophobicContact CB-CD2 4.38Å; A173-L249 HydrophobicContact CB-CD1 4.13Å; A173-L249 HydrophobicContact CB-CD2 3.75Å; E174-L249 HydrophobicContact CG-CD2 3.92Å; A245-L249 WeakPolarHBondContact O-CB 3.23Å; A245-L249 PolarHBondContact O-N 3.49Å; R246-L249 PolarHBondContact O-N 3.03Å; T247-L249 VanDerWaalsContact C-N 3.34Å; T247-L249 PolarHBondContact O-N 3.48Å; L249-D251 VanDerWaalsContact C-N 3.34Å; L249-L252 PolarHBondContact O-N 3.4Å; L249-E253 WeakPolarHBondContact O-CB 3.41Å; L249-E253 PolarHBondContact O-N 3.29Å; L249-I260 HydrophobicContact CD1-CG1 4.17Å; L249-I260 HydrophobicContact CD2-CG1 4.36Å; L249-I260 HydrophobicContact CG-CG1 4.27Å; L249-I263 HydrophobicContact CD1-CD1 3.5Å; L249-I263 VanDerWaalsContact CD1-CD1 3.5Å
250K94.4Very high92.8Very high94 Ų9466.5 Ų66.541%0.40934%0.335SS..Hα-helixtrans-64.5-38176.2-73.9179.6177.1-174.70112R246 T247 F248 E253 S254R246-K250 HydrophobicContact CG-CD 4.32Å; R246-K250 WeakPolarHBondContact O-CG 3.47Å; R246-K250 PolarHBondContact O-N 2.88Å; T247-K250 WeakPolarHBondContact O-CB 3.13Å; T247-K250 PolarHBondContact O-N 2.98Å; T247-K250 VanDerWaalsContact O-N 3.15Å; F248-K250 VanDerWaalsContact C-N 3.33Å; F248-K250 PolarHBondContact O-N 2.86Å; K250-E253 PolarHBondContact O-N 3.48Å; K250-S254 WeakPolarHBondContact O-CB 3.42Å; K250-S254 PolarHBondContact O-N 3.08Å
251D96Very high93.3Very high88 Ų8867.7 Ų67.747%0.47134%0.337SS..Hα-helixtrans-62-45.6174.5-64-25.5000110.5T247 F248 L249 S254 I255T247-D251 PolarHBondContact O-N 3.41Å; F248-D251 PolarHBondContact O-N 3.42Å; L249-D251 VanDerWaalsContact C-N 3.34Å; D251-S254 PolarHBondContact O-N 2.94Å; D251-S254 PolarHBondContact O-OG 3.37Å; D251-I255 PolarHBondContact O-N 3.47Å
252L95.3Very high93.8Very high52 Ų5265.7 Ų65.727%0.27233%0.333SS..Hα-helixtrans-62.3-44.2175.1-66.3178.4000112.7F248 L249 S254 I255 R256 S259 I263F248-L252 HydrophobicContact CD1-CD1 4.07Å; F248-L252 HydrophobicContact CE1-CD1 3.6Å; F248-L252 HydrophobicContact CE1-CG 4.21Å; F248-L252 HydrophobicContact CZ-CD1 4.02Å; F248-L252 HydrophobicContact CZ-CD2 4.3Å; F248-L252 HydrophobicContact CZ-CG 4.26Å; F248-L252 WeakPolarHBondContact O-CG 3.4Å; F248-L252 PolarHBondContact O-N 3.2Å; F248-L252 VanDerWaalsContact O-N 3.1Å; L249-L252 PolarHBondContact O-N 3.4Å; L252-S254 VanDerWaalsContact C-N 3.28Å; L252-S254 PolarHBondContact O-N 2.9Å; L252-I255 PolarHBondContact O-N 3.22Å; L252-R256 PolarHBondContact O-N 3.21Å; L252-S259 PolarHBondContact O-OG 2.98Å; L252-I263 HydrophobicContact CD1-CD1 4.25Å
253E94.2Very high94Very high7 Ų763.3 Ų63.33%0.03333%0.326CS..Hα-helixtrans-61.5-37.7178.4-167.8-154.7172.700111.6K216 L249 K250 I255 R256 P257 I260K216-E253 WeakPolarHBondContact CE-OE1 3.1Å; K216-E253 WeakPolarHBondContact CE-OE2 3.42Å; K216-E253 IonicContact NZ-OE1 2.77Å; K216-E253 PolarHBondContact NZ-OE1 3.33Å; K216-E253 IonicContact NZ-OE2 2.68Å; K216-E253 PolarHBondContact NZ-OE2 3.17Å; L249-E253 WeakPolarHBondContact O-CB 3.41Å; L249-E253 PolarHBondContact O-N 3.29Å; K250-E253 PolarHBondContact O-N 3.48Å; E253-I255 VanDerWaalsContact C-N 3.28Å; E253-I255 PolarHBondContact O-N 3.23Å; E253-R256 CarbonylContact O-C 3.57Å; E253-R256 PolarHBondContact O-N 2.91Å; E253-P257 WeakPolarHBondContact O-CA 3.44Å; E253-I260 HydrophobicContact CB-CD1 4.28Å; E253-I260 HydrophobicContact CB-CG1 4.47Å; E253-I260 HydrophobicContact CG-CD1 3.65Å; E253-I260 HydrophobicContact CG-CG1 4.22Å
254S92.1Very high94.3Very high94 Ų9461.7 Ų61.766%0.65731%0.31SS*.Hα-helixtrans-64-32.8178.879.40000113.1K250 D251 L252K250-S254 WeakPolarHBondContact O-CB 3.42Å; K250-S254 PolarHBondContact O-N 3.08Å; D251-S254 PolarHBondContact O-N 2.94Å; D251-S254 PolarHBondContact O-OG 3.37Å; L252-S254 VanDerWaalsContact C-N 3.28Å; L252-S254 PolarHBondContact O-N 2.9Å
255I93.6Very high94.4Very high140 Ų14059.3 Ų59.372%0.71830%0.304SS*.Hα-helixtrans-79.4-46.4176-61.5167000109.9D251 L252 E253D251-I255 PolarHBondContact O-N 3.47Å; L252-I255 PolarHBondContact O-N 3.22Å; E253-I255 VanDerWaalsContact C-N 3.28Å; E253-I255 PolarHBondContact O-N 3.23Å
256R91.9Very high94.5Very high147 Ų14762.3 Ų62.356%0.55533%0.325SS*.  trans-143.3106.7-177.2-178.9172.9172.7175.6-9.7110.1L252 E253 S258 S259 D262L252-R256 PolarHBondContact O-N 3.21Å; E253-R256 CarbonylContact O-C 3.57Å; E253-R256 PolarHBondContact O-N 2.91Å; R256-S258 WeakPolarHBondContact CG-OG 3.29Å; R256-S258 PolarHBondContact NE-OG 3.41Å; R256-S258 PolarHBondContact NH2-OG 3.25Å; R256-S258 PolarHBondContact O-N 3.14Å; R256-S258 VanDerWaalsContact O-N 3.1Å; R256-S259 VanDerWaalsContact O-CB 3.26Å; R256-S259 WeakPolarHBondContact O-CB 3.24Å; R256-S259 PolarHBondContact O-N 2.9Å; R256-S259 PolarHBondContact O-OG 3.46Å; R256-D262 IonicContact CZ-OD2 3.62Å; R256-D262 IonicContact NE-OD2 3.56Å; R256-D262 IonicContact NH2-OD2 3.28Å; R256-D262 PolarHBondContact NH2-OD2 2.8Å
257P88.4Confident94.4Very high65 Ų6559.5 Ų59.542%0.42232%0.316SS..THydrogen-bonded Turntrans-59.2-26.8-177.3-28.835.6000115P18 Y214 E253 S259P18-P257 WeakPolarHBondContact O-CB 3.49Å; Y214-P257 WeakPolarHBondContact CE2-O 3.27Å; Y214-P257 PolarHBondContact OH-O 2.98Å; E253-P257 WeakPolarHBondContact O-CA 3.44Å; P257-S259 PolarHBondContact O-N 3.31Å
258S93.8Very high94.2Very high36 Ų3659 Ų5925%0.25231%0.308SS..THydrogen-bonded Turntrans-69.9-12.9177.272.30000113.5R256 I260 M261 D262R256-S258 WeakPolarHBondContact CG-OG 3.29Å; R256-S258 PolarHBondContact NE-OG 3.41Å; R256-S258 PolarHBondContact NH2-OG 3.25Å; R256-S258 PolarHBondContact O-N 3.14Å; R256-S258 VanDerWaalsContact O-N 3.1Å; S258-I260 PolarHBondContact O-N 2.99Å; S258-I260 VanDerWaalsContact O-N 3.09Å; S258-M261 PolarHBondContact O-N 3.1Å; S258-D262 WeakPolarHBondContact CB-OD2 3.36Å; S258-D262 WeakPolarHBondContact O-CB 3.47Å; S258-D262 PolarHBondContact O-N 3.2Å; S258-D262 PolarHBondContact OG-OD2 3.31Å
259S95.8Very high93.9Very high19 Ų1959.3 Ų59.313%0.13331%0.314CS..Hα-helixtrans-52.8-36.5-176.3-600000113.1L252 R256 P257 D262 I263L252-S259 PolarHBondContact O-OG 2.98Å; R256-S259 VanDerWaalsContact O-CB 3.26Å; R256-S259 WeakPolarHBondContact O-CB 3.24Å; R256-S259 PolarHBondContact O-N 2.9Å; R256-S259 PolarHBondContact O-OG 3.46Å; P257-S259 PolarHBondContact O-N 3.31Å; S259-D262 PolarHBondContact O-N 3.47Å; S259-I263 WeakPolarHBondContact O-CB 3.45Å; S259-I263 WeakPolarHBondContact O-CD1 3.36Å; S259-I263 WeakPolarHBondContact O-CG1 3.46Å; S259-I263 PolarHBondContact O-N 3.48Å
260I96.1Very high93.5Very high0 Ų062.8 Ų62.80%033%0.333CS..Hα-helixtrans-60.5-53.5176.4-64.3167.9000110.4A169 D170 A173 Y214 L249 E253 S258 I263 I264A169-I260 HydrophobicContact CB-CG2 3.72Å; D170-I260 VanDerWaalsContact OD1-CD1 3.3Å; D170-I260 WeakPolarHBondContact OD1-CD1 3.47Å; A173-I260 HydrophobicContact CB-CG2 4.08Å; Y214-I260 HydrophobicContact CD2-CD1 3.84Å; Y214-I260 HydrophobicContact CE1-CB 4.46Å; Y214-I260 HydrophobicContact CE1-CG2 4.4Å; Y214-I260 HydrophobicContact CE2-CB 4.25Å; Y214-I260 HydrophobicContact CE2-CD1 3.68Å; Y214-I260 HydrophobicContact CE2-CG1 4.44Å; L249-I260 HydrophobicContact CD1-CG1 4.17Å; L249-I260 HydrophobicContact CD2-CG1 4.36Å; L249-I260 HydrophobicContact CG-CG1 4.27Å; E253-I260 HydrophobicContact CB-CD1 4.28Å; E253-I260 HydrophobicContact CB-CG1 4.47Å; E253-I260 HydrophobicContact CG-CD1 3.65Å; E253-I260 HydrophobicContact CG-CG1 4.22Å; S258-I260 PolarHBondContact O-N 2.99Å; S258-I260 VanDerWaalsContact O-N 3.09Å; I260-I263 PolarHBondContact O-N 3.03Å; I260-I264 HydrophobicContact CG2-CD1 4.31Å; I260-I264 WeakPolarHBondContact O-CG1 3.19Å; I260-I264 PolarHBondContact O-N 2.97Å; I260-I264 VanDerWaalsContact O-N 3.15Å
261M95.9Very high92.8Very high50 Ų5063.7 Ų63.725%0.24635%0.35CS..Hα-helixtrans-68.1-37.3179.1-67.6-61.7-57.900112.3Y212 Y214 S258 I263 I264 H265Y212-M261 HydrophobicContact CD1-CE 3.58Å; Y212-M261 HydrophobicContact CD1-SD 4.23Å; Y212-M261 HydrophobicContact CE1-CE 4.27Å; Y212-M261 HydrophobicContact CG-CE 4.3Å; Y214-M261 HydrophobicContact CE1-CG 3.56Å; Y214-M261 HydrophobicContact CE1-SD 3.96Å; Y214-M261 WeakPolarHBondContact OH-CG 3.19Å; S258-M261 PolarHBondContact O-N 3.1Å; M261-I263 VanDerWaalsContact C-N 3.29Å; M261-I263 PolarHBondContact O-N 3.16Å; M261-I264 PolarHBondContact O-N 3.26Å; M261-I264 HydrophobicContact SD-CD1 4.18Å; M261-H265 VanDerWaalsContact O-CB 3.28Å; M261-H265 WeakPolarHBondContact O-CB 3.46Å; M261-H265 PolarHBondContact O-N 3.08Å
262D95.9Very high91.8Very high61 Ų6161.6 Ų61.633%0.32634%0.341SS..Hα-helixtrans-63.1-37.9178.6-65.8-25.9000110.6R256 S258 S259 S266R256-D262 IonicContact CZ-OD2 3.62Å; R256-D262 IonicContact NE-OD2 3.56Å; R256-D262 IonicContact NH2-OD2 3.28Å; R256-D262 PolarHBondContact NH2-OD2 2.8Å; S258-D262 WeakPolarHBondContact CB-OD2 3.36Å; S258-D262 WeakPolarHBondContact O-CB 3.47Å; S258-D262 PolarHBondContact O-N 3.2Å; S258-D262 PolarHBondContact OG-OD2 3.31Å; S259-D262 PolarHBondContact O-N 3.47Å; D262-S266 VanDerWaalsContact O-CB 3.26Å; D262-S266 WeakPolarHBondContact O-CB 3.18Å; D262-S266 PolarHBondContact O-N 3.5Å; D262-S266 PolarHBondContact O-OG 3.16Å
263I96.3Very high91Very high29 Ų2969.9 Ų69.915%0.14937%0.369CS..Hα-helixtrans-67.5-43.8173.6-71.4164.8000111.3A173 V176 L249 L252 S259 I260 M261 S266 G267A173-I263 HydrophobicContact CB-CB 4.26Å; A173-I263 HydrophobicContact CB-CG2 3.96Å; V176-I263 HydrophobicContact CB-CG2 3.85Å; V176-I263 HydrophobicContact CG1-CG2 3.68Å; L249-I263 HydrophobicContact CD1-CD1 3.5Å; L249-I263 VanDerWaalsContact CD1-CD1 3.5Å; L252-I263 HydrophobicContact CD1-CD1 4.25Å; S259-I263 WeakPolarHBondContact O-CB 3.45Å; S259-I263 WeakPolarHBondContact O-CD1 3.36Å; S259-I263 WeakPolarHBondContact O-CG1 3.46Å; S259-I263 PolarHBondContact O-N 3.48Å; I260-I263 PolarHBondContact O-N 3.03Å; M261-I263 VanDerWaalsContact C-N 3.29Å; M261-I263 PolarHBondContact O-N 3.16Å; I263-S266 PolarHBondContact O-N 2.97Å; I263-G267 PolarHBondContact O-N 3.42Å
264I95.6Very high89.7Confident0 Ų079 Ų790%041%0.411CS..Hα-helixtrans-61.7-50.7176.9-64.3168.7000110.1A169 V172 A173 Y212 I260 M261 S266 G267 E268A169-I264 HydrophobicContact CB-CD1 3.81Å; A169-I264 WeakPolarHBondContact O-CD1 3.36Å; V172-I264 HydrophobicContact CB-CD1 4.34Å; V172-I264 HydrophobicContact CB-CG1 4.31Å; V172-I264 HydrophobicContact CG1-CD1 4.45Å; V172-I264 HydrophobicContact CG1-CG1 4.02Å; V172-I264 HydrophobicContact CG1-CG2 4.37Å; A173-I264 HydrophobicContact CB-CG1 4.21Å; Y212-I264 HydrophobicContact CD1-CG2 4.49Å; Y212-I264 HydrophobicContact CE1-CG2 3.98Å; I260-I264 HydrophobicContact CG2-CD1 4.31Å; I260-I264 WeakPolarHBondContact O-CG1 3.19Å; I260-I264 PolarHBondContact O-N 2.97Å; I260-I264 VanDerWaalsContact O-N 3.15Å; M261-I264 PolarHBondContact O-N 3.26Å; M261-I264 HydrophobicContact SD-CD1 4.18Å; I264-S266 VanDerWaalsContact C-N 3.28Å; I264-S266 PolarHBondContact O-N 2.81Å; I264-G267 CarbonylContact O-C 3.2Å; I264-G267 WeakPolarHBondContact O-CA 3.35Å; I264-G267 PolarHBondContact O-N 2.97Å; I264-E268 HydrophobicContact CG2-CG 4.36Å; I264-E268 WeakPolarHBondContact O-CG 3.23Å; I264-E268 PolarHBondContact O-N 2.9Å
265H94.8Very high88.6Confident110 Ų11078.3 Ų78.351%0.50942%0.419SS..Hα-helixtrans-57.4-43177.3177.4-88.7000111M261 G267 E268 N269M261-H265 VanDerWaalsContact O-CB 3.28Å; M261-H265 WeakPolarHBondContact O-CB 3.46Å; M261-H265 PolarHBondContact O-N 3.08Å; H265-G267 PolarHBondContact O-N 2.8Å; H265-E268 PolarHBondContact O-N 3.43Å; H265-N269 PolarHBondContact CD2-ND2 2.93Å; H265-N269 VanDerWaalsContact CD2-ND2 3.31Å; H265-N269 PolarHBondContact CE1-ND2 3.5Å; H265-N269 PolarHBondContact ND1-ND2 2.91Å; H265-N269 PolarHBondContact NE2-ND2 2.78Å; H265-N269 WeakPolarHBondContact O-CB 3.45Å; H265-N269 PolarHBondContact O-N 3.35Å; H265-N269 PolarHBondContact O-ND2 3.01Å
266S93.8Very high87.5Confident68 Ų6874.5 Ų74.548%0.47640%0.402SS..Hα-helixtrans-59.9-46.3174.3-61.90000111D262 I263 I264 E268 N269 L270D262-S266 VanDerWaalsContact O-CB 3.26Å; D262-S266 WeakPolarHBondContact O-CB 3.18Å; D262-S266 PolarHBondContact O-N 3.5Å; D262-S266 PolarHBondContact O-OG 3.16Å; I263-S266 PolarHBondContact O-N 2.97Å; I264-S266 VanDerWaalsContact C-N 3.28Å; I264-S266 PolarHBondContact O-N 2.81Å; S266-E268 VanDerWaalsContact C-N 3.32Å; S266-E268 PolarHBondContact O-N 3.4Å; S266-N269 PolarHBondContact O-N 3.48Å; S266-L270 VanDerWaalsContact O-CB 3.23Å; S266-L270 WeakPolarHBondContact O-CB 3.36Å; S266-L270 PolarHBondContact O-N 3.36Å
267G92.7Very high86.6Confident6 Ų677 Ų776%0.06242%0.417CS..Hα-helixtrans-65.8-28177.100000114.6I263 I264 H265I263-G267 PolarHBondContact O-N 3.42Å; I264-G267 CarbonylContact O-C 3.2Å; I264-G267 WeakPolarHBondContact O-CA 3.35Å; I264-G267 PolarHBondContact O-N 2.97Å; H265-G267 PolarHBondContact O-N 2.8Å
268E90.4Very high85.9Confident72 Ų7276.7 Ų76.734%0.33641%0.41SS..Hα-helixtrans-75.7-36.5175.3-72.5172.9161.900112.6T192 K211 Y212 I264 H265 S266T192-E268 HydrophobicContact CG2-CG 4.16Å; K211-E268 WeakPolarHBondContact CE-OE1 3.42Å; K211-E268 IonicContact NZ-OE1 3.4Å; K211-E268 PolarHBondContact NZ-OE1 3.44Å; Y212-E268 PolarHBondContact OH-OE1 3.21Å; I264-E268 HydrophobicContact CG2-CG 4.36Å; I264-E268 WeakPolarHBondContact O-CG 3.23Å; I264-E268 PolarHBondContact O-N 2.9Å; H265-E268 PolarHBondContact O-N 3.43Å; S266-E268 VanDerWaalsContact C-N 3.32Å; S266-E268 PolarHBondContact O-N 3.4Å
269N89.6Confident84.9Confident105 Ų10577.1 Ų77.156%0.56141%0.412SS*.Hα-helixtrans-95.4-4.1-177.8-68.1-78000113.5H265 S266 S271H265-N269 PolarHBondContact CD2-ND2 2.93Å; H265-N269 VanDerWaalsContact CD2-ND2 3.31Å; H265-N269 PolarHBondContact CE1-ND2 3.5Å; H265-N269 PolarHBondContact ND1-ND2 2.91Å; H265-N269 PolarHBondContact NE2-ND2 2.78Å; H265-N269 WeakPolarHBondContact O-CB 3.45Å; H265-N269 PolarHBondContact O-N 3.35Å; H265-N269 PolarHBondContact O-ND2 3.01Å; S266-N269 PolarHBondContact O-N 3.48Å; N269-S271 PolarHBondContact O-N 2.92Å; N269-S271 VanDerWaalsContact O-N 3.08Å
270L86.6Confident84.1Confident76 Ų7682.1 Ų82.140%0.39844%0.442SS..  trans-67.2110.6-179.7-169.8134.7000110.1L188 S266 V272L188-L270 HydrophobicContact CD2-CD1 4.18Å; L188-L270 HydrophobicContact CD2-CD2 3.65Å; L188-L270 HydrophobicContact CG-CD2 4.23Å; S266-L270 VanDerWaalsContact O-CB 3.23Å; S266-L270 WeakPolarHBondContact O-CB 3.36Å; S266-L270 PolarHBondContact O-N 3.36Å; L270-V272 HydrophobicContact CD2-CG2 3.82Å
271S80.1Confident83.2Confident112 Ų11285.9 Ų85.978%0.78346%0.459SS*.  trans-81.8137.7170.962.20000110.2N269N269-S271 PolarHBondContact O-N 2.92Å; N269-S271 VanDerWaalsContact O-N 3.08Å
272V75.4Confident82.7Confident44 Ų4485.3 Ų85.327%0.26747%0.466SS..  trans-107.3142.5176175.10000107.7I185 L270 V276I185-V272 HydrophobicContact CG2-CB 4.05Å; I185-V272 HydrophobicContact CG2-CG1 3.18Å; I185-V272 HydrophobicContact CG2-CG2 3.62Å; L270-V272 HydrophobicContact CD2-CG2 3.82Å; V272-V276 HydrophobicContact CG1-CB 4.11Å; V272-V276 HydrophobicContact CG1-CG2 3.52Å
273R77.4Confident82.3Confident227 Ų22787.1 Ų87.186%0.85748%0.479SS*.  trans-50.2141.6175.2-69.6-174.9179.4-178.3-0.5111.7
274E68.4Low81.9Confident199 Ų19985.9 Ų85.993%0.9347%0.473SS*.THydrogen-bonded Turntrans-59.3146.6170.7-64.1-174.9164.200110.7
275G67.4Low81.6Confident79 Ų7989.8 Ų89.881%0.81450%0.5SS*.THydrogen-bonded Turntrans90.60.6-18000000116.1K277G275-K277 PolarHBondContact O-N 2.93Å; G275-K277 VanDerWaalsContact O-N 3.13Å
276V71.6Confident81.4Confident60 Ų6090.5 Ų90.536%0.36450%0.499SS..  trans-65.7114.2169.31750000109.6I185 V272 M278I185-V276 HydrophobicContact CG2-CG1 4.12Å; I185-V276 HydrophobicContact CG2-CG2 4.33Å; V272-V276 HydrophobicContact CG1-CB 4.11Å; V272-V276 HydrophobicContact CG1-CG2 3.52Å; V276-M278 PolarHBondContact O-N 3.47Å
277K72.1Confident81.1Confident200 Ų20088.9 Ų88.987%0.8749%0.487SS*.  trans-60.1108.7175.7-72.7-173.5179.3-177.80109.8G275G275-K277 PolarHBondContact O-N 2.93Å; G275-K277 VanDerWaalsContact O-N 3.13Å
278M74.1Confident80.7Confident57 Ų5791 Ų9128%0.28151%0.508SS..PPolyproline II helixtrans-79.5143.1170.9-66.7-59.9-68.200109.4A186 R190 V276 V280A186-M278 HydrophobicContact CB-CE 4.47Å; A186-M278 HydrophobicContact CB-SD 4.24Å; R190-M278 HydrophobicContact CG-CE 4.4Å; V276-M278 PolarHBondContact O-N 3.47Å; M278-V280 PolarHBondContact O-N 3.02Å
279P74Confident80.4Confident46 Ų4690.2 Ų90.230%0.29950%0.503SS..PPolyproline II helixtrans-64.3124173.2-10.324000108.9A186 S292A186-P279 HydrophobicContact CB-CG 4.47Å; P279-S292 VanDerWaalsContact CB-CB 3.48Å
280V78.6Confident80Confident123 Ų12388.1 Ų88.175%0.74549%0.491SS*.PPolyproline II helixtrans-69.5133171.3-177.70000108.2M278 S292M278-V280 PolarHBondContact O-N 3.02Å; V280-S292 VanDerWaalsContact O-CA 3.3Å; V280-S292 WeakPolarHBondContact O-CA 3.27Å; V280-S292 WeakPolarHBondContact O-CB 3.39Å
281Q77.4Confident79.9Confident80 Ų8085.3 Ų85.337%0.37448%0.478SS..PPolyproline II helixtrans-78.9134.4174-73.4-179.7-43.400109.7I290Q281-I290 HydrophobicContact CB-CD1 4.22Å; Q281-I290 HydrophobicContact CG-CD1 4.06Å
282G84.2Confident80.1Confident37 Ų3782.8 Ų82.838%0.38146%0.46SS..EExtended strand (participates in β ladder)trans-148.4-164.5172.500000110.1I290 S291G282-I290 WeakPolarHBondContact O-CA 3.09Å; G282-S291 CarbonylContact C-O 3.59Å; G282-S291 VanDerWaalsContact C-O 3.26Å; G282-S291 WeakPolarHBondContact CA-O 3.16Å; G282-S291 PolarHBondContact N-O 3.36Å; G282-S291 PolarHBondContact O-N 3.16Å
283T87.6Confident80.6Confident99 Ų9985.2 Ų85.261%0.60747%0.469SS*.EExtended strand (participates in β ladder)trans-111.5142-179.450.60000110.8S285 G288T283-S285 PolarHBondContact O-N 3.19Å; T283-G288 WeakPolarHBondContact CB-O 3.14Å; T283-G288 WeakPolarHBondContact CG2-O 3.32Å
284C89.1Confident81Confident3 Ų377 Ų772%0.0245%0.449CS..  trans-65.2126.3172.6-1790000109.8R286 C287 G288 Y289 A294 C296C284-R286 PolarHBondContact O-N 3.34Å; C284-C287 VanDerWaalsContact CB-SG 3.56Å; C284-C287 PolarHBondContact SG-SG 3.31Å; C284-G288 VanDerWaalsContact O-CA 3.31Å; C284-G288 WeakPolarHBondContact O-CA 3.31Å; C284-G288 PolarHBondContact O-N 3.21Å; C284-Y289 WeakPolarHBondContact CB-O 3.34Å; C284-Y289 PolarHBondContact N-O 2.83Å; C284-A294 CarbonylContact C-O 3.59Å; C284-A294 WeakPolarHBondContact CA-O 3.42Å; C284-C296 HydrophobicContact CB-CB 3.88Å; C284-C296 PolarHBondContact SG-N 3.18Å
285S89.4Confident82Confident82 Ų8267.9 Ų67.957%0.57341%0.407SS*.THydrogen-bonded Turntrans-64.6-22179.459.80000113.8T283 A294 L325T283-S285 PolarHBondContact O-N 3.19Å; S285-A294 PolarHBondContact N-O 3.08Å; S285-A294 PolarHBondContact OG-O 3.08Å; S285-A294 VanDerWaalsContact OG-O 3.14Å; S285-L325 VanDerWaalsContact OG-CD2 3.27Å; S285-L325 WeakPolarHBondContact OG-CD2 3.08Å
286R89.1Confident83.1Confident125 Ų12564.4 Ų64.447%0.47237%0.37SS..THydrogen-bonded Turntrans-90.5-40.9-179.9-179.7178.5-95.5-172.6-7.4113.7C284 L295 E303C284-R286 PolarHBondContact O-N 3.34Å; R286-L295 HydrophobicContact CB-CD2 3.71Å; R286-E303 IonicContact CZ-OE2 3.57Å; R286-E303 VanDerWaalsContact CZ-OE2 3.23Å; R286-E303 IonicContact NH1-OE2 2.69Å; R286-E303 PolarHBondContact NH1-OE2 3.24Å; R286-E303 IonicContact NH2-OE2 3.22Å; R286-E303 PolarHBondContact NH2-OE2 3.04Å
287C87.8Confident84Confident34 Ų3465.2 Ų65.223%0.2337%0.368CS..THydrogen-bonded Turntrans-122.1-0-17168.20000114.5C284 Y289 C299C284-C287 VanDerWaalsContact CB-SG 3.56Å; C284-C287 PolarHBondContact SG-SG 3.31Å; C287-Y289 HydrophobicContact CB-CD2 3.89Å; C287-Y289 WeakPolarHBondContact O-CD2 3.4Å; C287-Y289 WeakPolarHBondContact O-CE2 3.25Å; C287-Y289 PolarHBondContact O-N 3.5Å; C287-C299 PolarHBondContact SG-SG 2.96Å
288G85.1Confident85Confident50 Ų5056.1 Ų56.152%0.51533%0.33SS..  trans73.6-20.2-179.700000115.1T283 C284T283-G288 WeakPolarHBondContact CB-O 3.14Å; T283-G288 WeakPolarHBondContact CG2-O 3.32Å; C284-G288 VanDerWaalsContact O-CA 3.31Å; C284-G288 WeakPolarHBondContact O-CA 3.31Å; C284-G288 PolarHBondContact O-N 3.21Å
289Y83.9Confident85.9Confident57 Ų5753.9 Ų53.922%0.22432%0.32CS..SBendtrans-67.2156.2-179.2-68.9-84000113.5R153 I156 C284 C287 S291R153-Y289 WeakPolarHBondContact CD-OH 3.46Å; R153-Y289 HydrophobicContact CG-CE1 3.95Å; R153-Y289 HydrophobicContact CG-CE2 4.28Å; R153-Y289 VanDerWaalsContact CG-OH 3.25Å; R153-Y289 WeakPolarHBondContact CG-OH 3.27Å; I156-Y289 HydrophobicContact CD1-CD1 4.49Å; I156-Y289 HydrophobicContact CD1-CE1 3.78Å; C284-Y289 WeakPolarHBondContact CB-O 3.34Å; C284-Y289 PolarHBondContact N-O 2.83Å; C287-Y289 HydrophobicContact CB-CD2 3.89Å; C287-Y289 WeakPolarHBondContact O-CD2 3.4Å; C287-Y289 WeakPolarHBondContact O-CE2 3.25Å; C287-Y289 PolarHBondContact O-N 3.5Å; Y289-S291 PolarHBondContact O-N 2.9Å
290I81.1Confident86.7Confident61 Ų6151.8 Ų51.831%0.31331%0.306SS..EExtended strand (participates in β ladder)trans-53.2133.8-179-170.5156.1000113.2V203 Q281 G282V203-I290 HydrophobicContact CG1-CD1 4.31Å; V203-I290 HydrophobicContact CG2-CB 4.15Å; V203-I290 HydrophobicContact CG2-CD1 3.58Å; V203-I290 HydrophobicContact CG2-CG1 4.42Å; Q281-I290 HydrophobicContact CB-CD1 4.22Å; Q281-I290 HydrophobicContact CG-CD1 4.06Å; G282-I290 WeakPolarHBondContact O-CA 3.09Å
291S85.2Confident87.4Confident16 Ų1645.9 Ų45.911%0.11227%0.271CS..EExtended strand (participates in β ladder)trans-152.6148.9175-163.20000111.4G282 Y289 Q293 C296G282-S291 CarbonylContact C-O 3.59Å; G282-S291 VanDerWaalsContact C-O 3.26Å; G282-S291 WeakPolarHBondContact CA-O 3.16Å; G282-S291 PolarHBondContact N-O 3.36Å; G282-S291 PolarHBondContact O-N 3.16Å; Y289-S291 PolarHBondContact O-N 2.9Å; S291-Q293 VanDerWaalsContact C-N 3.25Å; S291-Q293 WeakPolarHBondContact CB-O 3.31Å; S291-Q293 PolarHBondContact OG-N 3.01Å; S291-Q293 PolarHBondContact OG-O 3.48Å; S291-Q293 VanDerWaalsContact OG-O 3.06Å; S291-C296 VanDerWaalsContact OG-CA 3.29Å; S291-C296 WeakPolarHBondContact OG-CA 3.49Å
292S82.6Confident88.2Confident60 Ų6043.8 Ų43.842%0.4226%0.262SS..SBendtrans-92.213.7168.166.60000112.9P279 V280P279-S292 VanDerWaalsContact CB-CB 3.48Å; V280-S292 VanDerWaalsContact O-CA 3.3Å; V280-S292 WeakPolarHBondContact O-CA 3.27Å; V280-S292 WeakPolarHBondContact O-CB 3.39Å
293Q86.3Confident88.5Confident95 Ų9543.4 Ų43.444%0.44425%0.25SS..SBendtrans-143.4162.1-177.5-62-71.2-70.800107.9S291 L295 H318S291-Q293 VanDerWaalsContact C-N 3.25Å; S291-Q293 WeakPolarHBondContact CB-O 3.31Å; S291-Q293 PolarHBondContact OG-N 3.01Å; S291-Q293 PolarHBondContact OG-O 3.48Å; S291-Q293 VanDerWaalsContact OG-O 3.06Å; Q293-L295 VanDerWaalsContact C-N 3.26Å; Q293-L295 PolarHBondContact O-N 3.21Å; Q293-H318 PolarHBondContact OE1-ND1 2.8Å
294A87.2Confident88.7Confident54 Ų5438.7 Ų38.745%0.44622%0.221SC..SBendtrans-58.7-38176.700000112.7C284 S285 L325C284-A294 CarbonylContact C-O 3.59Å; C284-A294 WeakPolarHBondContact CA-O 3.42Å; S285-A294 PolarHBondContact N-O 3.08Å; S285-A294 PolarHBondContact OG-O 3.08Å; S285-A294 VanDerWaalsContact OG-O 3.14Å; A294-L325 HydrophobicContact CB-CD1 3.68Å
295L89.4Confident88.8Confident7 Ų738.7 Ų38.74%0.03722%0.221CC..SBendtrans-109.8129.9170.3-68.5178.6000111.1R286 Q293 V300 I324 L325R286-L295 HydrophobicContact CB-CD2 3.71Å; Q293-L295 VanDerWaalsContact C-N 3.26Å; Q293-L295 PolarHBondContact O-N 3.21Å; L295-V300 HydrophobicContact CB-CG2 3.8Å; L295-V300 HydrophobicContact CD1-CG2 4.35Å; L295-I324 HydrophobicContact CD1-CB 4.08Å; L295-I324 HydrophobicContact CD1-CG2 3.73Å; L295-L325 HydrophobicContact CD1-CD2 3.94Å; L295-L325 HydrophobicContact CD1-CG 3.8Å; L295-L325 HydrophobicContact CD2-CD2 3.54Å; L295-L325 HydrophobicContact CD2-CG 4.32Å; L295-L325 HydrophobicContact CG-CD1 4.26Å; L295-L325 HydrophobicContact CG-CD2 3.58Å; L295-L325 HydrophobicContact CG-CG 3.81Å
296C89.8Confident89Confident6 Ų639.4 Ų39.44%0.04122%0.219CC..  trans-67.9156.4172.479.50000111.8C284 S291 S298 C299 V300C284-C296 HydrophobicContact CB-CB 3.88Å; C284-C296 PolarHBondContact SG-N 3.18Å; S291-C296 VanDerWaalsContact OG-CA 3.29Å; S291-C296 WeakPolarHBondContact OG-CA 3.49Å; C296-S298 PolarHBondContact O-N 3.15Å; C296-C299 PolarHBondContact O-N 3.42Å; C296-C299 VanDerWaalsContact O-N 3.11Å; C296-C299 PolarHBondContact SG-N 3.42Å; C296-C299 VanDerWaalsContact SG-N 3.43Å; C296-V300 PolarHBondContact O-N 2.96Å; C296-V300 VanDerWaalsContact O-N 3.14Å
297K90.8Very high89Confident77 Ų7738.5 Ų38.534%0.33522%0.215SC..Hα-helixtrans-59.6-36.4-176.3-167.561.4173.2-178.10112.2V145 V300 L301 G313V145-K297 HydrophobicContact CG1-CB 4.02Å; V145-K297 HydrophobicContact CG1-CG 4.11Å; V145-K297 HydrophobicContact CG2-CG 4Å; K297-V300 PolarHBondContact O-N 3.36Å; K297-L301 HydrophobicContact CG-CD1 4Å; K297-L301 HydrophobicContact CG-CG 4.43Å; K297-L301 WeakPolarHBondContact O-CB 3.24Å; K297-L301 VanDerWaalsContact O-CG 3.29Å; K297-L301 WeakPolarHBondContact O-CG 3.18Å; K297-L301 PolarHBondContact O-N 2.67Å; K297-G313 WeakPolarHBondContact CE-O 3.47Å; K297-G313 PolarHBondContact NZ-O 3.39Å
298S92.8Very high89Confident10 Ų1038.3 Ų38.37%0.0722%0.219CC..Hα-helixtrans-62.6-46176.5-49.40000112V145 Q149 C296 V300 L301 L302V145-S298 WeakPolarHBondContact CG1-OG 3.26Å; Q149-S298 PolarHBondContact OE1-OG 3.14Å; Q149-S298 VanDerWaalsContact OE1-OG 3.06Å; C296-S298 PolarHBondContact O-N 3.15Å; S298-V300 VanDerWaalsContact C-N 3.32Å; S298-V300 PolarHBondContact O-N 2.9Å; S298-L301 PolarHBondContact O-N 3.36Å; S298-L302 VanDerWaalsContact O-CB 3.29Å; S298-L302 WeakPolarHBondContact O-CB 3.28Å; S298-L302 PolarHBondContact O-N 2.87Å
299C92.2Very high89.2Confident10 Ų1036.3 Ų36.37%0.06820%0.197CC..Hα-helixtrans-62.2-39.3178-74.70000112.4C287 C296 E303C287-C299 PolarHBondContact SG-SG 2.96Å; C296-C299 PolarHBondContact O-N 3.42Å; C296-C299 VanDerWaalsContact O-N 3.11Å; C296-C299 PolarHBondContact SG-N 3.42Å; C296-C299 VanDerWaalsContact SG-N 3.43Å; C299-E303 VanDerWaalsContact O-CB 3.31Å; C299-E303 WeakPolarHBondContact O-CB 3.4Å; C299-E303 PolarHBondContact O-N 2.69Å
300V92.3Very high89.2Confident1 Ų133.8 Ų33.81%0.00619%0.187CC..Hα-helixtrans-67.6-43.41771790000111.4L295 C296 K297 S298 G304 L312 I324L295-V300 HydrophobicContact CB-CG2 3.8Å; L295-V300 HydrophobicContact CD1-CG2 4.35Å; C296-V300 PolarHBondContact O-N 2.96Å; C296-V300 VanDerWaalsContact O-N 3.14Å; K297-V300 PolarHBondContact O-N 3.36Å; S298-V300 VanDerWaalsContact C-N 3.32Å; S298-V300 PolarHBondContact O-N 2.9Å; V300-G304 PolarHBondContact O-N 2.88Å; V300-L312 HydrophobicContact CG1-CG 4.24Å; V300-I324 HydrophobicContact CG1-CD1 4.45Å
301L92.7Very high89.4Confident0 Ų033.5 Ų33.50%018%0.183CC..Hα-helixtrans-63.7-45.2177.3-73.3166.4000111.2F142 V145 F146 K297 S298 G304 L305 G313F142-L301 HydrophobicContact CD1-CB 3.92Å; F142-L301 HydrophobicContact CD1-CD1 4.31Å; F142-L301 HydrophobicContact CD1-CD2 3.7Å; F142-L301 HydrophobicContact CD1-CG 4.19Å; F142-L301 HydrophobicContact CD2-CD2 4.44Å; F142-L301 HydrophobicContact CE1-CB 3.89Å; F142-L301 HydrophobicContact CE1-CD2 3.35Å; F142-L301 HydrophobicContact CE1-CG 4.15Å; F142-L301 HydrophobicContact CE2-CD2 4.16Å; F142-L301 HydrophobicContact CG-CD2 4.23Å; F142-L301 HydrophobicContact CZ-CD2 3.6Å; V145-L301 HydrophobicContact CB-CD1 3.81Å; V145-L301 HydrophobicContact CG1-CD1 3.77Å; V145-L301 HydrophobicContact CG2-CD1 4.01Å; F146-L301 HydrophobicContact CE1-CB 3.96Å; F146-L301 HydrophobicContact CZ-CB 3.92Å; K297-L301 HydrophobicContact CG-CD1 4Å; K297-L301 HydrophobicContact CG-CG 4.43Å; K297-L301 WeakPolarHBondContact O-CB 3.24Å; K297-L301 VanDerWaalsContact O-CG 3.29Å; K297-L301 WeakPolarHBondContact O-CG 3.18Å; K297-L301 PolarHBondContact O-N 2.67Å; S298-L301 PolarHBondContact O-N 3.36Å; L301-G304 WeakPolarHBondContact O-CA 3.39Å; L301-G304 PolarHBondContact O-N 2.75Å; L301-G304 VanDerWaalsContact O-N 3.17Å; L301-L305 WeakPolarHBondContact O-CG 3.39Å; L301-L305 PolarHBondContact O-N 3.33Å; L301-G313 WeakPolarHBondContact CD2-O 3.47Å
302L93.5Very high89.4Confident36 Ų3632.7 Ų32.719%0.18818%0.178CC..Hα-helixtrans-63.9-42.8179.1-176.759.3000112.1Y123 F146 S298 G304 L305 N306Y123-L302 HydrophobicContact CD1-CD2 4.45Å; Y123-L302 WeakPolarHBondContact O-CD1 3.23Å; F146-L302 HydrophobicContact CZ-CB 4.39Å; S298-L302 VanDerWaalsContact O-CB 3.29Å; S298-L302 WeakPolarHBondContact O-CB 3.28Å; S298-L302 PolarHBondContact O-N 2.87Å; L302-G304 VanDerWaalsContact C-N 3.28Å; L302-G304 PolarHBondContact O-N 2.8Å; L302-L305 PolarHBondContact O-N 3.45Å; L302-N306 WeakPolarHBondContact O-CB 3.3Å; L302-N306 VanDerWaalsContact O-CG 3.27Å; L302-N306 PolarHBondContact O-N 3.28Å
303E91.6Very high89.2Confident29 Ų2929.9 Ų29.914%0.13616%0.158CC..Hα-helixtrans-59-42.2172.5-174.768.3-153.600111.4R286 C299 N306 R307 L312 I324R286-E303 IonicContact CZ-OE2 3.57Å; R286-E303 VanDerWaalsContact CZ-OE2 3.23Å; R286-E303 IonicContact NH1-OE2 2.69Å; R286-E303 PolarHBondContact NH1-OE2 3.24Å; R286-E303 IonicContact NH2-OE2 3.22Å; R286-E303 PolarHBondContact NH2-OE2 3.04Å; C299-E303 VanDerWaalsContact O-CB 3.31Å; C299-E303 WeakPolarHBondContact O-CB 3.4Å; C299-E303 PolarHBondContact O-N 2.69Å; E303-N306 PolarHBondContact O-N 2.99Å; E303-R307 WeakPolarHBondContact O-CB 3.36Å; E303-R307 WeakPolarHBondContact O-CG 3.25Å; E303-R307 PolarHBondContact O-N 2.68Å; E303-R307 WeakPolarHBondContact OE1-CD 3.48Å; E303-R307 IonicContact OE1-CZ 2.93Å; E303-R307 IonicContact OE1-NE 2.85Å; E303-R307 PolarHBondContact OE1-NE 2.88Å; E303-L312 HydrophobicContact CB-CD2 4.43Å; E303-L312 HydrophobicContact CG-CD2 4.19Å; E303-I324 HydrophobicContact CG-CG2 3.94Å
304G90.6Very high89Confident0 Ų027.1 Ų27.10%015%0.146CC..Hα-helixtrans-58.7-46.6175.300000112.3V300 L301 L302 R307 G308 L309V300-G304 PolarHBondContact O-N 2.88Å; L301-G304 WeakPolarHBondContact O-CA 3.39Å; L301-G304 PolarHBondContact O-N 2.75Å; L301-G304 VanDerWaalsContact O-N 3.17Å; L302-G304 VanDerWaalsContact C-N 3.28Å; L302-G304 PolarHBondContact O-N 2.8Å; G304-R307 PolarHBondContact O-N 3.15Å; G304-G308 PolarHBondContact O-N 2.99Å; G304-L309 VanDerWaalsContact CA-O 3.28Å; G304-L309 WeakPolarHBondContact CA-O 3.38Å; G304-L309 CarbonylContact O-C 3.51Å; G304-L309 VanDerWaalsContact O-C 3.23Å; G304-L309 WeakPolarHBondContact O-CA 3.44Å; G304-L309 PolarHBondContact O-N 3.39Å
305L92.1Very high88.4Confident2 Ų227.1 Ų27.11%0.0115%0.152CC..Hα-helixtrans-62.9-50177.5-64.9169000111.5W125 I130 Q133 V134 F142 F146 L301 L302 R307 G308W125-L305 HydrophobicContact CD2-CB 4.33Å; W125-L305 HydrophobicContact CD2-CD1 4.29Å; W125-L305 HydrophobicContact CG-CD1 4.29Å; W125-L305 HydrophobicContact CH2-CB 4.37Å; W125-L305 HydrophobicContact CZ2-CB 3.8Å; I130-L305 HydrophobicContact CD1-CD1 4.25Å; I130-L305 HydrophobicContact CG1-CD1 3.86Å; I130-L305 HydrophobicContact CG1-CD2 4.44Å; I130-L305 HydrophobicContact CG2-CD2 4.3Å; Q133-L305 PolarHBondContact NE2-O 3.34Å; V134-L305 HydrophobicContact CG1-CD2 3.73Å; F142-L305 HydrophobicContact CD1-CD1 3.99Å; F142-L305 HydrophobicContact CD1-CD2 4.28Å; F142-L305 HydrophobicContact CD1-CG 4.29Å; F142-L305 HydrophobicContact CE1-CD1 4.09Å; F142-L305 HydrophobicContact CE1-CD2 3.79Å; F142-L305 HydrophobicContact CE1-CG 3.87Å; F142-L305 HydrophobicContact CZ-CD2 4.39Å; F146-L305 HydrophobicContact CE2-CD1 3.9Å; F146-L305 HydrophobicContact CZ-CD1 4Å; L301-L305 WeakPolarHBondContact O-CG 3.39Å; L301-L305 PolarHBondContact O-N 3.33Å; L302-L305 PolarHBondContact O-N 3.45Å; L305-R307 PolarHBondContact O-N 2.96Å; L305-G308 PolarHBondContact O-N 2.91Å
306N92.4Very high87.4Confident98 Ų9836 Ų3652%0.52419%0.19SC..Hα-helixtrans-63-28.1-177.7-68.6-8.7000113.2W125 L302 E303W125-N306 PolarHBondContact NE1-OD1 3.34Å; L302-N306 WeakPolarHBondContact O-CB 3.3Å; L302-N306 VanDerWaalsContact O-CG 3.27Å; L302-N306 PolarHBondContact O-N 3.28Å; E303-N306 PolarHBondContact O-N 2.99Å
307R90Very high86.6Confident105 Ų10538.7 Ų38.740%0.39620%0.202SC..THydrogen-bonded Turntrans-92.5-1.7176.6-68.8-176129.8-177.2-4.7114.4E303 G304 L305 L309E303-R307 WeakPolarHBondContact O-CB 3.36Å; E303-R307 WeakPolarHBondContact O-CG 3.25Å; E303-R307 PolarHBondContact O-N 2.68Å; E303-R307 WeakPolarHBondContact OE1-CD 3.48Å; E303-R307 IonicContact OE1-CZ 2.93Å; E303-R307 IonicContact OE1-NE 2.85Å; E303-R307 PolarHBondContact OE1-NE 2.88Å; G304-R307 PolarHBondContact O-N 3.15Å; L305-R307 PolarHBondContact O-N 2.96Å; R307-L309 VanDerWaalsContact C-N 3.27Å; R307-L309 HydrophobicContact CB-CB 4.48Å; R307-L309 HydrophobicContact CB-CD1 4.19Å; R307-L309 HydrophobicContact CB-CG 4.16Å; R307-L309 PolarHBondContact O-N 3.47Å
308G88.3Confident85.5Confident31 Ų3139.6 Ų39.632%0.3221%0.207SC..THydrogen-bonded Turntrans69.823.4-172.900000114.2G304 L305 P310G304-G308 PolarHBondContact O-N 2.99Å; L305-G308 PolarHBondContact O-N 2.91Å; G308-P310 VanDerWaalsContact O-CD 3.3Å; G308-P310 WeakPolarHBondContact O-CD 3.33Å
309L88.8Confident84.4Confident8 Ų850 Ų504%0.04224%0.244CC..  trans-119.461.6-178.5-59179.4000110.5G304 R307 K311 L312 L330 Q335 L338 K339G304-L309 VanDerWaalsContact CA-O 3.28Å; G304-L309 WeakPolarHBondContact CA-O 3.38Å; G304-L309 CarbonylContact O-C 3.51Å; G304-L309 VanDerWaalsContact O-C 3.23Å; G304-L309 WeakPolarHBondContact O-CA 3.44Å; G304-L309 PolarHBondContact O-N 3.39Å; R307-L309 VanDerWaalsContact C-N 3.27Å; R307-L309 HydrophobicContact CB-CB 4.48Å; R307-L309 HydrophobicContact CB-CD1 4.19Å; R307-L309 HydrophobicContact CB-CG 4.16Å; R307-L309 PolarHBondContact O-N 3.47Å; L309-K311 PolarHBondContact O-N 3.38Å; L309-L312 HydrophobicContact CB-CB 4.46Å; L309-L312 WeakPolarHBondContact O-CB 3.41Å; L309-L312 PolarHBondContact O-N 3.28Å; L309-L330 HydrophobicContact CD1-CD1 3.6Å; L309-Q335 HydrophobicContact CD1-CG 4.42Å; L309-Q335 HydrophobicContact CD2-CB 4.26Å; L309-L338 CarbonylContact C-O 3.46Å; L309-L338 HydrophobicContact CB-CB 4.06Å; L309-L338 HydrophobicContact CD1-CD1 4.48Å; L309-L338 HydrophobicContact CD2-CB 4.1Å; L309-K339 HydrophobicContact CD2-CG 3.81Å
310P84.3Confident83.6Confident3 Ų350.3 Ų50.32%0.01925%0.246CC..G310 helixtrans-62.6-23.9-168.625.4-35.7000113.9V134 F142 G308 L312V134-P310 HydrophobicContact CB-CB 4.22Å; V134-P310 HydrophobicContact CG1-CB 3.45Å; V134-P310 VanDerWaalsContact CG1-CB 3.45Å; V134-P310 HydrophobicContact CG1-CG 4.37Å; F142-P310 HydrophobicContact CZ-CB 4.45Å; F142-P310 WeakPolarHBondContact CZ-O 3.23Å; G308-P310 VanDerWaalsContact O-CD 3.3Å; G308-P310 WeakPolarHBondContact O-CD 3.33Å; P310-L312 PolarHBondContact O-N 3.07Å
311K84.8Confident82.9Confident55 Ų5551.3 Ų51.324%0.23925%0.25CS..G310 helixtrans-75.4-8.6176.5-61.4178.6-179.4168.20113.5L309 G313 I314 H317 L338 K339L309-K311 PolarHBondContact O-N 3.38Å; K311-G313 PolarHBondContact O-N 3.03Å; K311-I314 PolarHBondContact O-N 3.49Å; K311-H317 PolarHBondContact O-CD2 2.62Å; K311-L338 HydrophobicContact CB-CD2 4.2Å; K311-L338 WeakPolarHBondContact CB-O 3.48Å; K311-L338 PolarHBondContact N-O 2.93Å; K311-K339 WeakPolarHBondContact CD-O 3.36Å; K311-K339 WeakPolarHBondContact CE-O 3.24Å; K311-K339 PolarHBondContact NZ-O 2.89Å
312L84.6Confident82.1Confident0 Ų058.2 Ų58.20%028%0.282CS..G310 helixtrans-54-40.9178.3-175.465.3000111.6V300 E303 L309 P310 L320 I324 L338V300-L312 HydrophobicContact CG1-CG 4.24Å; E303-L312 HydrophobicContact CB-CD2 4.43Å; E303-L312 HydrophobicContact CG-CD2 4.19Å; L309-L312 HydrophobicContact CB-CB 4.46Å; L309-L312 WeakPolarHBondContact O-CB 3.41Å; L309-L312 PolarHBondContact O-N 3.28Å; P310-L312 PolarHBondContact O-N 3.07Å; L312-L320 HydrophobicContact CD1-CB 4.17Å; L312-L320 HydrophobicContact CD1-CD1 4.34Å; L312-I324 HydrophobicContact CD1-CD1 4.07Å; L312-I324 HydrophobicContact CD2-CD1 3.62Å; L312-I324 HydrophobicContact CD2-CG1 4.3Å; L312-I324 HydrophobicContact CG-CD1 4.01Å; L312-L338 HydrophobicContact CB-CD1 4.34Å; L312-L338 HydrophobicContact CD1-CD1 3.6Å
313G79.9Confident81.4Confident0 Ų058.8 Ų58.80%028%0.283CS..G310 helixtrans-91.96.4175.100000114.8K297 L301 K311K297-G313 WeakPolarHBondContact CE-O 3.47Å; K297-G313 PolarHBondContact NZ-O 3.39Å; L301-G313 WeakPolarHBondContact CD2-O 3.47Å; K311-G313 PolarHBondContact O-N 3.03Å
314I81.8Confident80.8Confident38 Ų3857.7 Ų57.720%0.19528%0.278CS..SBendtrans-113.7119.9-178.6-51.9174.9000108.7N138 F142 K311 H317N138-I314 HydrophobicContact CB-CD1 4.11Å; N138-I314 HydrophobicContact CB-CG2 4.43Å; F142-I314 HydrophobicContact CE2-CD1 3.58Å; F142-I314 HydrophobicContact CE2-CG1 3.95Å; F142-I314 HydrophobicContact CZ-CD1 3.93Å; F142-I314 HydrophobicContact CZ-CG1 4.09Å; K311-I314 PolarHBondContact O-N 3.49Å; I314-H317 PolarHBondContact O-CD2 3.48Å; I314-H317 VanDerWaalsContact O-CD2 3.28Å
315G74.1Confident80.1Confident54 Ų5461.3 Ų61.356%0.55730%0.297SS*.SBendtrans89.6-163-175.600000114.1H317G315-H317 PolarHBondContact O-N 3.28Å
316K68.5Low79.5Confident192 Ų19264.2 Ų64.284%0.83532%0.318SS*.SBendtrans-100.863.9-170.9-66.5-175.3-179.41790112H318K316-H318 VanDerWaalsContact C-N 3.31Å; K316-H318 PolarHBondContact O-N 2.82Å
317H72.8Confident78.8Confident64 Ų6467.7 Ų67.730%0.29633%0.331SS..  trans-93.834176.7-64.4-64.6000113.7K311 I314 G315 R319 L320 H321K311-H317 PolarHBondContact O-CD2 2.62Å; I314-H317 PolarHBondContact O-CD2 3.48Å; I314-H317 VanDerWaalsContact O-CD2 3.28Å; G315-H317 PolarHBondContact O-N 3.28Å; H317-R319 PolarHBondContact O-N 3.42Å; H317-R319 VanDerWaalsContact O-N 3.1Å; H317-L320 HydrophobicContact CB-CD1 4.21Å; H317-L320 WeakPolarHBondContact O-CB 3.4Å; H317-L320 PolarHBondContact O-N 3.1Å; H317-H321 PolarHBondContact O-CD2 3.09Å
318H67.6Low78.3Confident96 Ų9667.5 Ų67.544%0.44434%0.335SS..Hα-helixtrans-54.6-35-174.5-67.2-85.6000113.7Q293 K316 L320 H321Q293-H318 PolarHBondContact OE1-ND1 2.8Å; K316-H318 VanDerWaalsContact C-N 3.31Å; K316-H318 PolarHBondContact O-N 2.82Å; H318-L320 PolarHBondContact O-N 2.76Å; H318-H321 AromaticContact ND1-CE1 3.99Å; H318-H321 WeakPolarHBondContact O-CB 3.44Å; H318-H321 PolarHBondContact O-N 3.27Å; H318-H321 VanDerWaalsContact O-N 3.08Å
319R68.7Low77.9Confident227 Ų22771 Ų7186%0.85735%0.352SS*.Hα-helixtrans-63.6-24.1178-63.7-176.1-176.3176.20.2113.6H317H317-R319 PolarHBondContact O-N 3.42Å; H317-R319 VanDerWaalsContact O-N 3.1Å
320L76.4Confident77.7Confident18 Ų1871.1 Ų71.19%0.09435%0.352CS..Hα-helixtrans-84.9-14.3178.3-57.3-178.1000112L312 H317 H318 E322 K323 I324 L330 E334 L338L312-L320 HydrophobicContact CD1-CB 4.17Å; L312-L320 HydrophobicContact CD1-CD1 4.34Å; H317-L320 HydrophobicContact CB-CD1 4.21Å; H317-L320 WeakPolarHBondContact O-CB 3.4Å; H317-L320 PolarHBondContact O-N 3.1Å; H318-L320 PolarHBondContact O-N 2.76Å; L320-E322 VanDerWaalsContact C-N 3.35Å; L320-E322 PolarHBondContact O-N 2.72Å; L320-K323 HydrophobicContact CD2-CD 4.33Å; L320-K323 PolarHBondContact O-N 3.33Å; L320-I324 WeakPolarHBondContact O-CG1 3.26Å; L320-I324 PolarHBondContact O-N 2.97Å; L320-I324 VanDerWaalsContact O-N 3.14Å; L320-L330 HydrophobicContact CB-CD2 4.43Å; L320-L330 HydrophobicContact CD2-CD2 3.92Å; L320-E334 HydrophobicContact CD2-CG 4.23Å; L320-E334 VanDerWaalsContact CD2-OE1 3.22Å; L320-E334 WeakPolarHBondContact CD2-OE1 3.46Å; L320-L338 HydrophobicContact CD1-CD1 3.67Å; L320-L338 HydrophobicContact CD1-CD2 4.4Å; L320-L338 HydrophobicContact CD1-CG 4.35Å
321H77.4Confident77.8Confident21 Ų2174.5 Ų74.510%0.09737%0.373CS..Hα-helixtrans-67.8-34.4179.7-61.6177.7000112.3H317 H318 K323 I324 L325H317-H321 PolarHBondContact O-CD2 3.09Å; H318-H321 AromaticContact ND1-CE1 3.99Å; H318-H321 WeakPolarHBondContact O-CB 3.44Å; H318-H321 PolarHBondContact O-N 3.27Å; H318-H321 VanDerWaalsContact O-N 3.08Å; H321-K323 VanDerWaalsContact C-N 3.33Å; H321-I324 WeakPolarHBondContact O-CB 3.46Å; H321-I324 PolarHBondContact O-N 3.28Å; H321-L325 PolarHBondContact O-N 3.29Å
322E75.3Confident77.7Confident145 Ų14580 Ų8068%0.67840%0.4SS*.Hα-helixtrans-64.4-38.6174.5-74.3177.5178.300111.8L320 I324 L325 S326L320-E322 VanDerWaalsContact C-N 3.35Å; L320-E322 PolarHBondContact O-N 2.72Å; E322-I324 VanDerWaalsContact C-N 3.32Å; E322-I324 PolarHBondContact O-N 2.88Å; E322-L325 PolarHBondContact O-N 2.8Å; E322-S326 WeakPolarHBondContact O-CB 3.35Å; E322-S326 PolarHBondContact O-N 3.38Å; E322-S326 PolarHBondContact O-OG 3.39Å
323K79.9Confident77.7Confident48 Ų4885.7 Ų85.721%0.20943%0.426CS..Hα-helixtrans-63.6-38173.4-68.5-173.8173.1-179.20112L320 H321 S326 Q327 Q328 L330 E334L320-K323 HydrophobicContact CD2-CD 4.33Å; L320-K323 PolarHBondContact O-N 3.33Å; H321-K323 VanDerWaalsContact C-N 3.33Å; K323-S326 WeakPolarHBondContact CA-OG 3.49Å; K323-S326 PolarHBondContact O-OG 2.88Å; K323-Q327 CarbonylContact O-C 3.58Å; K323-Q327 PolarHBondContact O-N 3.37Å; K323-Q327 VanDerWaalsContact O-N 3.09Å; K323-Q328 HydrophobicContact CB-CB 4.18Å; K323-Q328 HydrophobicContact CG-CB 4.29Å; K323-Q328 PolarHBondContact O-N 3.25Å; K323-L330 HydrophobicContact CB-CD2 4.4Å; K323-L330 HydrophobicContact CD-CD2 3.96Å; K323-E334 VanDerWaalsContact NZ-CD 3.25Å; K323-E334 IonicContact NZ-OE1 2.72Å; K323-E334 PolarHBondContact NZ-OE1 2.69Å; K323-E334 IonicContact NZ-OE2 3.79Å; K323-E334 PolarHBondContact NZ-OE2 3.29Å
324I79.4Confident77.9Confident7 Ų787.7 Ų87.74%0.03644%0.435CS..Hα-helixtrans-62.9-46.7174-60.7166000110.4L295 V300 E303 L312 L320 H321 E322 S326 Q327L295-I324 HydrophobicContact CD1-CB 4.08Å; L295-I324 HydrophobicContact CD1-CG2 3.73Å; V300-I324 HydrophobicContact CG1-CD1 4.45Å; E303-I324 HydrophobicContact CG-CG2 3.94Å; L312-I324 HydrophobicContact CD1-CD1 4.07Å; L312-I324 HydrophobicContact CD2-CD1 3.62Å; L312-I324 HydrophobicContact CD2-CG1 4.3Å; L312-I324 HydrophobicContact CG-CD1 4.01Å; L320-I324 WeakPolarHBondContact O-CG1 3.26Å; L320-I324 PolarHBondContact O-N 2.97Å; L320-I324 VanDerWaalsContact O-N 3.14Å; H321-I324 WeakPolarHBondContact O-CB 3.46Å; H321-I324 PolarHBondContact O-N 3.28Å; E322-I324 VanDerWaalsContact C-N 3.32Å; E322-I324 PolarHBondContact O-N 2.88Å; I324-S326 PolarHBondContact O-N 2.82Å; I324-Q327 PolarHBondContact O-N 2.91Å
325L75.9Confident78Confident76 Ų7689.3 Ų89.340%0.39844%0.442SS..Hα-helixtrans-62.5-42.4-179.4-78.2168.2000112.5S285 A294 L295 H321 E322 Q327S285-L325 VanDerWaalsContact OG-CD2 3.27Å; S285-L325 WeakPolarHBondContact OG-CD2 3.08Å; A294-L325 HydrophobicContact CB-CD1 3.68Å; L295-L325 HydrophobicContact CD1-CD2 3.94Å; L295-L325 HydrophobicContact CD1-CG 3.8Å; L295-L325 HydrophobicContact CD2-CD2 3.54Å; L295-L325 HydrophobicContact CD2-CG 4.32Å; L295-L325 HydrophobicContact CG-CD1 4.26Å; L295-L325 HydrophobicContact CG-CD2 3.58Å; L295-L325 HydrophobicContact CG-CG 3.81Å; H321-L325 PolarHBondContact O-N 3.29Å; E322-L325 PolarHBondContact O-N 2.8Å; L325-Q327 VanDerWaalsContact C-N 3.25Å; L325-Q327 PolarHBondContact O-N 2.77Å
326S78.7Confident78.5Confident62 Ų6296.5 Ų96.543%0.43445%0.452SS..THydrogen-bonded Turntrans-845.1179.255.50000114E322 K323 I324 Q328E322-S326 WeakPolarHBondContact O-CB 3.35Å; E322-S326 PolarHBondContact O-N 3.38Å; E322-S326 PolarHBondContact O-OG 3.39Å; K323-S326 WeakPolarHBondContact CA-OG 3.49Å; K323-S326 PolarHBondContact O-OG 2.88Å; I324-S326 PolarHBondContact O-N 2.82Å; S326-Q328 PolarHBondContact O-N 3.41Å; S326-Q328 WeakPolarHBondContact OG-CG 3.26Å
327Q77.6Confident79.1Confident171 Ų17193.6 Ų93.680%0.79944%0.44SS*.THydrogen-bonded Turntrans52.424.2-175-58.2-176.8-1.300114.1K323 I324 L325K323-Q327 CarbonylContact O-C 3.58Å; K323-Q327 PolarHBondContact O-N 3.37Å; K323-Q327 VanDerWaalsContact O-N 3.09Å; I324-Q327 PolarHBondContact O-N 2.91Å; L325-Q327 VanDerWaalsContact C-N 3.25Å; L325-Q327 PolarHBondContact O-N 2.77Å
328Q79.8Confident79.6Confident102 Ų10290.6 Ų90.648%0.47743%0.426SS..PPolyproline II helixtrans-70.4140.6177.7-73.5178.1-1.500110.7K323 S326K323-Q328 HydrophobicContact CB-CB 4.18Å; K323-Q328 HydrophobicContact CG-CB 4.29Å; K323-Q328 PolarHBondContact O-N 3.25Å; S326-Q328 PolarHBondContact O-N 3.41Å; S326-Q328 WeakPolarHBondContact OG-CG 3.26Å
329P80.1Confident80.3Confident105 Ų10591.3 Ų91.368%0.68243%0.427SS*.PPolyproline II helixtrans-65.8142.6175.326.7-32.5000110.9
330L84.1Confident80.1Confident10 Ų1083.2 Ų83.25%0.05241%0.406CS..PPolyproline II helixtrans-80.2140.1170-66.8172.4000109L309 L320 K323 E334 Q335 L338L309-L330 HydrophobicContact CD1-CD1 3.6Å; L320-L330 HydrophobicContact CB-CD2 4.43Å; L320-L330 HydrophobicContact CD2-CD2 3.92Å; K323-L330 HydrophobicContact CB-CD2 4.4Å; K323-L330 HydrophobicContact CD-CD2 3.96Å; L330-E334 HydrophobicContact CB-CB 4.28Å; L330-E334 HydrophobicContact CD2-CB 4.47Å; L330-Q335 HydrophobicContact CB-CG 3.73Å; L330-Q335 PolarHBondContact O-NE2 2.8Å; L330-L338 HydrophobicContact CD1-CD1 4.05Å
331T85.8Confident79.3Confident73 Ų7386.4 Ų86.445%0.44843%0.426SS..PPolyproline II helixtrans-64155.9173.862.90000110.6H333 E334 Q335T331-H333 PolarHBondContact O-N 3.29Å; T331-E334 WeakPolarHBondContact CB-OE2 3.46Å; T331-E334 WeakPolarHBondContact CG2-OE2 3.22Å; T331-E334 PolarHBondContact N-OE2 3.46Å; T331-E334 WeakPolarHBondContact O-CB 3.43Å; T331-E334 PolarHBondContact O-N 2.94Å; T331-E334 WeakPolarHBondContact OG1-CB 3.48Å; T331-E334 WeakPolarHBondContact OG1-CG 3.42Å; T331-E334 PolarHBondContact OG1-N 3.33Å; T331-E334 PolarHBondContact OG1-OE2 2.83Å; T331-Q335 WeakPolarHBondContact O-CG 3.42Å; T331-Q335 PolarHBondContact O-N 2.85Å
332E83.5Confident78Confident172 Ų17292.9 Ų92.980%0.80446%0.461SS*.Hα-helixtrans-56.1-38.5178.9-67.7-173.5160.700112.7Q335 R336E332-Q335 PolarHBondContact O-N 3.16Å; E332-R336 WeakPolarHBondContact O-CB 3.46Å; E332-R336 PolarHBondContact O-N 2.8Å
333H83.9Confident76.5Confident119 Ų11995.8 Ų95.855%0.55147%0.472SS*.Hα-helixtrans-63.8-42.3175.9-175.259.9000112.6T331 K337T331-H333 PolarHBondContact O-N 3.29Å; H333-K337 WeakPolarHBondContact NE2-CE 3.43Å; H333-K337 PolarHBondContact NE2-NZ 2.87Å; H333-K337 WeakPolarHBondContact O-CG 3.2Å; H333-K337 PolarHBondContact O-N 3.33Å; H333-K337 VanDerWaalsContact O-N 3.17Å
334E84.5Confident76.4Confident42 Ų4298.2 Ų98.220%0.19649%0.485CS..Hα-helixtrans-64-45.4175.2-72.9166.3144.100110.8L320 K323 L330 T331 R336 K337 L338L320-E334 HydrophobicContact CD2-CG 4.23Å; L320-E334 VanDerWaalsContact CD2-OE1 3.22Å; L320-E334 WeakPolarHBondContact CD2-OE1 3.46Å; K323-E334 VanDerWaalsContact NZ-CD 3.25Å; K323-E334 IonicContact NZ-OE1 2.72Å; K323-E334 PolarHBondContact NZ-OE1 2.69Å; K323-E334 IonicContact NZ-OE2 3.79Å; K323-E334 PolarHBondContact NZ-OE2 3.29Å; L330-E334 HydrophobicContact CB-CB 4.28Å; L330-E334 HydrophobicContact CD2-CB 4.47Å; T331-E334 WeakPolarHBondContact CB-OE2 3.46Å; T331-E334 WeakPolarHBondContact CG2-OE2 3.22Å; T331-E334 PolarHBondContact N-OE2 3.46Å; T331-E334 WeakPolarHBondContact O-CB 3.43Å; T331-E334 PolarHBondContact O-N 2.94Å; T331-E334 WeakPolarHBondContact OG1-CB 3.48Å; T331-E334 WeakPolarHBondContact OG1-CG 3.42Å; T331-E334 PolarHBondContact OG1-N 3.33Å; T331-E334 PolarHBondContact OG1-OE2 2.83Å; E334-R336 PolarHBondContact O-N 3.1Å; E334-K337 PolarHBondContact O-N 3.4Å; E334-L338 VanDerWaalsContact O-CG 3.28Å; E334-L338 WeakPolarHBondContact O-CG 3.34Å; E334-L338 PolarHBondContact O-N 3.49Å
335Q83.8Confident76.2Confident71 Ų71103 Ų10333%0.33251%0.509SS..Hα-helixtrans-61-46.4177.2-66.3-177.133.500111.5L309 L330 T331 E332 K337 L338 K339L309-Q335 HydrophobicContact CD1-CG 4.42Å; L309-Q335 HydrophobicContact CD2-CB 4.26Å; L330-Q335 HydrophobicContact CB-CG 3.73Å; L330-Q335 PolarHBondContact O-NE2 2.8Å; T331-Q335 WeakPolarHBondContact O-CG 3.42Å; T331-Q335 PolarHBondContact O-N 2.85Å; E332-Q335 PolarHBondContact O-N 3.16Å; Q335-K337 VanDerWaalsContact C-N 3.28Å; Q335-K337 PolarHBondContact O-N 3.28Å; Q335-L338 PolarHBondContact O-N 2.81Å; Q335-K339 WeakPolarHBondContact O-CG 3.08Å; Q335-K339 PolarHBondContact O-N 3.33Å
336R83.8Confident76.2Confident205 Ų205104.5 Ų104.577%0.77452%0.515SS*.Hα-helixtrans-59.5-37.7179.6-170.6176.3-179.4-178.80.9112.5E332 E334 L338E332-R336 WeakPolarHBondContact O-CB 3.46Å; E332-R336 PolarHBondContact O-N 2.8Å; E334-R336 PolarHBondContact O-N 3.1Å; R336-L338 VanDerWaalsContact C-N 3.3Å; R336-L338 PolarHBondContact O-N 3.31Å
337K83.1Confident76.1Confident132 Ų132107 Ų10757%0.57452%0.52SS*.Hα-helixtrans-68-29.6175.1-75.9-178.3175.9-1790113.4H333 E334 Q335H333-K337 WeakPolarHBondContact NE2-CE 3.43Å; H333-K337 PolarHBondContact NE2-NZ 2.87Å; H333-K337 WeakPolarHBondContact O-CG 3.2Å; H333-K337 PolarHBondContact O-N 3.33Å; H333-K337 VanDerWaalsContact O-N 3.17Å; E334-K337 PolarHBondContact O-N 3.4Å; Q335-K337 VanDerWaalsContact C-N 3.28Å; Q335-K337 PolarHBondContact O-N 3.28Å
338L82.8Confident76Confident1 Ų1103 Ų1031%0.00550%0.502CS..Hα-helixtrans-94.2-17.8-173.6-68.5178.7000114.7L309 K311 L312 L320 L330 E334 Q335 R336L309-L338 CarbonylContact C-O 3.46Å; L309-L338 HydrophobicContact CB-CB 4.06Å; L309-L338 HydrophobicContact CD1-CD1 4.48Å; L309-L338 HydrophobicContact CD2-CB 4.1Å; K311-L338 HydrophobicContact CB-CD2 4.2Å; K311-L338 WeakPolarHBondContact CB-O 3.48Å; K311-L338 PolarHBondContact N-O 2.93Å; L312-L338 HydrophobicContact CB-CD1 4.34Å; L312-L338 HydrophobicContact CD1-CD1 3.6Å; L320-L338 HydrophobicContact CD1-CD1 3.67Å; L320-L338 HydrophobicContact CD1-CD2 4.4Å; L320-L338 HydrophobicContact CD1-CG 4.35Å; L330-L338 HydrophobicContact CD1-CD1 4.05Å; E334-L338 VanDerWaalsContact O-CG 3.28Å; E334-L338 WeakPolarHBondContact O-CG 3.34Å; E334-L338 PolarHBondContact O-N 3.49Å; Q335-L338 PolarHBondContact O-N 2.81Å; R336-L338 VanDerWaalsContact C-N 3.3Å; R336-L338 PolarHBondContact O-N 3.31Å
339K81Confident75.7Confident111 Ų111103.1 Ų103.148%0.48350%0.504SS..SBendtrans-57.6150168.6-74.7-178.3-179.8-173.10110.1L309 K311 Q335 V341L309-K339 HydrophobicContact CD2-CG 3.81Å; K311-K339 WeakPolarHBondContact CD-O 3.36Å; K311-K339 WeakPolarHBondContact CE-O 3.24Å; K311-K339 PolarHBondContact NZ-O 2.89Å; Q335-K339 WeakPolarHBondContact O-CG 3.08Å; Q335-K339 PolarHBondContact O-N 3.33Å; K339-V341 PolarHBondContact O-N 3.39Å
340S65.9Low75.4Confident57 Ų57102.9 Ų102.940%0.39949%0.491SS..PPolyproline II helixtrans-53.3131.9163.344.40000107.5
341V58.4Low74.7Confident85 Ų85110.1 Ų110.152%0.51553%0.525SS..PPolyproline II helixtrans-85.3126.3165177.50000102.5K339 F343K339-V341 PolarHBondContact O-N 3.39Å; V341-F343 WeakPolarHBondContact O-CD2 3.39Å; V341-F343 PolarHBondContact O-N 3.33Å
342D50.3Low73.8Confident156 Ų156113.2 Ų113.283%0.83453%0.531SS*.PPolyproline II helixtrans-49.3117.9168.9-64.1-42.2000107
343F44.7Very low72.9Confident207 Ų207107.8 Ų107.891%0.90851%0.506SS*.  trans-94.80178.8-86.3-71.9000109.7V341V341-F343 WeakPolarHBondContact O-CD2 3.39Å; V341-F343 PolarHBondContact O-N 3.33Å

Retrieved 343 of 343 residues in 841 ms (Link to these results)

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