A0A077ZD07_TRITR Loading...

NfI DNAbd pre-N and MH1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZD07, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 331 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
1M32.6Very low53.5Low234 Ų234144.1 Ų144.1100%1.15367%0.672SS**  0155.90-61.4172.1-174.300109.5
2R39.1Very low55.2Low248 Ų248139.3 Ų139.394%0.93669%0.691SS**  trans-86.3108.1171.7-71.9-177.9-176.81582.4109.2R4R2-R4 PolarHBondContact O-N 3.04Å
3N42.5Very low57.2Low135 Ų135131.5 Ų131.572%0.72266%0.655SS**  trans-63101.6176-78.27.8000110.1V5N3-V5 VanDerWaalsContact C-N 3.29Å; N3-V5 PolarHBondContact O-N 3.26Å
4R49.4Very low59.7Low239 Ų239128 Ų12890%0.90264%0.635SS**  trans-83.776.1-177.9-151-178.6-158.8-179.85.4108.6R2 V6R2-R4 PolarHBondContact O-N 3.04Å; R4-V6 PolarHBondContact O-N 3.29Å; R4-V6 VanDerWaalsContact O-N 3.13Å
5V54.8Low62Low62 Ų62125.3 Ų125.338%0.37663%0.631SS.*  trans-51.9120178178.80000108.9N3 Y7N3-V5 VanDerWaalsContact C-N 3.29Å; N3-V5 PolarHBondContact O-N 3.26Å; V5-Y7 HydrophobicContact CB-CE2 3.76Å; V5-Y7 HydrophobicContact CG1-CD1 4.43Å; V5-Y7 HydrophobicContact CG1-CD2 4.42Å; V5-Y7 HydrophobicContact CG1-CE1 3.88Å; V5-Y7 HydrophobicContact CG1-CE2 3.86Å; V5-Y7 WeakPolarHBondContact O-CD2 3.49Å; V5-Y7 WeakPolarHBondContact O-CE2 3.37Å; V5-Y7 PolarHBondContact O-N 3.38Å
6V56.8Low64.2Low100 Ų100117.9 Ų117.961%0.60659%0.594SS**  trans-77.4106.8177.81790000107.7R4 F8R4-V6 PolarHBondContact O-N 3.29Å; R4-V6 VanDerWaalsContact O-N 3.13Å; V6-F8 HydrophobicContact CG1-CE2 4.33Å; V6-F8 HydrophobicContact CG1-CZ 4.3Å; V6-F8 WeakPolarHBondContact O-CD2 3.36Å
7Y62.5Low66.1Low90 Ų90111.4 Ų111.435%0.35356%0.561SS.*  trans-84.6114.1174.4-67.8-76.2000109.5V5 L21 P22 Q71V5-Y7 HydrophobicContact CB-CE2 3.76Å; V5-Y7 HydrophobicContact CG1-CD1 4.43Å; V5-Y7 HydrophobicContact CG1-CD2 4.42Å; V5-Y7 HydrophobicContact CG1-CE1 3.88Å; V5-Y7 HydrophobicContact CG1-CE2 3.86Å; V5-Y7 WeakPolarHBondContact O-CD2 3.49Å; V5-Y7 WeakPolarHBondContact O-CE2 3.37Å; V5-Y7 PolarHBondContact O-N 3.38Å; Y7-L21 HydrophobicContact CD1-CD2 4Å; Y7-L21 HydrophobicContact CD1-CG 3.91Å; Y7-L21 HydrophobicContact CE1-CB 4.44Å; Y7-L21 HydrophobicContact CE1-CD2 4.5Å; Y7-L21 HydrophobicContact CE1-CG 3.91Å; Y7-L21 WeakPolarHBondContact CE1-O 3.39Å; Y7-L21 PolarHBondContact OH-O 2.81Å; Y7-P22 HydrophobicContact CE2-CB 4.28Å; Y7-P22 HydrophobicContact CE2-CG 4.48Å; Y7-P22 WeakPolarHBondContact OH-CA 3.39Å; Y7-Q71 HydrophobicContact CD1-CG 4.29Å
8F63.8Low67.8Low85 Ų85111.8 Ų111.837%0.37356%0.561SS.*  trans-73.3138.1174-61.5-94.9000109.3V6 L10 P67 E68 Q71V6-F8 HydrophobicContact CG1-CE2 4.33Å; V6-F8 HydrophobicContact CG1-CZ 4.3Å; V6-F8 WeakPolarHBondContact O-CD2 3.36Å; F8-L10 PolarHBondContact O-N 3.49Å; F8-P67 HydrophobicContact CE2-CB 4.31Å; F8-P67 HydrophobicContact CE2-CG 4.04Å; F8-P67 HydrophobicContact CZ-CG 4.49Å; F8-E68 HydrophobicContact CD1-CG 4.43Å; F8-E68 HydrophobicContact CD2-CG 3.84Å; F8-E68 HydrophobicContact CE1-CG 4.32Å; F8-E68 HydrophobicContact CE2-CG 3.73Å; F8-E68 HydrophobicContact CG-CG 4.2Å; F8-E68 HydrophobicContact CZ-CG 3.98Å; F8-E68 WeakPolarHBondContact CZ-OE1 3.19Å; F8-Q71 PolarHBondContact O-NE2 3.24Å
9Q59.4Low69.3Low176 Ų176107.8 Ų107.882%0.82255%0.547SS*.  trans-72.2102.7-177.6-171166.8-13.800110.1N11Q9-N11 PolarHBondContact O-N 3.5Å
10L63.3Low70.8Confident66 Ų66102.4 Ų102.435%0.34652%0.519SS..  trans-87.196.3-179.2-68.2174.9000109.7F8 G12 V13 Q71F8-L10 PolarHBondContact O-N 3.49Å; L10-G12 PolarHBondContact O-N 3.43Å; L10-V13 HydrophobicContact CB-CB 4.4Å; L10-V13 HydrophobicContact CB-CG2 3.42Å; L10-V13 VanDerWaalsContact CB-CG2 3.42Å; L10-V13 HydrophobicContact CD1-CG2 4.14Å; L10-V13 HydrophobicContact CG-CG2 4.44Å; L10-V13 WeakPolarHBondContact O-CB 3.37Å; L10-V13 WeakPolarHBondContact O-CG2 3.35Å; L10-V13 PolarHBondContact O-N 3.31Å; L10-Q71 HydrophobicContact CD1-CG 4.25Å
11N64Low72Confident150 Ų15098.1 Ų98.180%0.80250%0.498SS*.THydrogen-bonded Turntrans-51.3129.9178.3-66.7-15.8000111.9Q9Q9-N11 PolarHBondContact O-N 3.5Å
12G74.4Confident75Confident87 Ų8790.3 Ų90.390%0.89746%0.464SS*.THydrogen-bonded Turntrans79.811.5178.100000116L10L10-G12 PolarHBondContact O-N 3.43Å
13V80.6Confident77.8Confident38 Ų3882.6 Ų82.623%0.2344%0.436CS..  trans-69.5139171.3168.40000111.1L10 V17 E18L10-V13 HydrophobicContact CB-CB 4.4Å; L10-V13 HydrophobicContact CB-CG2 3.42Å; L10-V13 VanDerWaalsContact CB-CG2 3.42Å; L10-V13 HydrophobicContact CD1-CG2 4.14Å; L10-V13 HydrophobicContact CG-CG2 4.44Å; L10-V13 WeakPolarHBondContact O-CB 3.37Å; L10-V13 WeakPolarHBondContact O-CG2 3.35Å; L10-V13 PolarHBondContact O-N 3.31Å; V13-V17 HydrophobicContact CG1-CB 3.72Å; V13-V17 HydrophobicContact CG1-CG1 3.69Å; V13-E18 HydrophobicContact CG1-CB 4.1Å
14H92.2Very high80.4Confident82 Ų8276.8 Ų76.838%0.3841%0.405SS..  trans-72.6137.5178.5179.5-70000111.1F16 V17 E18 R82H14-F16 VanDerWaalsContact ND1-CB 3.35Å; H14-F16 WeakPolarHBondContact ND1-CB 3.34Å; H14-F16 PolarHBondContact ND1-N 3.34Å; H14-F16 VanDerWaalsContact ND1-N 3.13Å; H14-F16 PolarHBondContact O-N 2.89Å; H14-F16 VanDerWaalsContact O-N 3.11Å; H14-V17 WeakPolarHBondContact O-CA 3.2Å; H14-V17 WeakPolarHBondContact O-CB 3.34Å; H14-V17 PolarHBondContact O-N 2.97Å; H14-E18 PolarHBondContact O-N 3.06Å; H14-R82 VanDerWaalsContact CD2-CZ 3.49Å; H14-R82 PolarHBondContact CD2-NE 3.05Å; H14-R82 PolarHBondContact CD2-NH2 3.47Å; H14-R82 PolarHBondContact CE1-NE 3.15Å; H14-R82 PolarHBondContact ND1-NE 3.39Å; H14-R82 VanDerWaalsContact NE2-CZ 3.34Å; H14-R82 PolarHBondContact NE2-NE 2.82Å; H14-R82 VanDerWaalsContact NE2-NE 3.16Å; H14-R82 PolarHBondContact NE2-NH2 2.9Å
15P94.6Very high82.7Confident87 Ų8770.1 Ų70.157%0.56538%0.383SS*.Hα-helixtrans-48.4-44.4-174.7-32.936.1000116.2V17 E18 A19P15-V17 VanDerWaalsContact C-N 3.26Å; P15-V17 PolarHBondContact O-N 2.96Å; P15-E18 PolarHBondContact O-N 3.21Å; P15-A19 WeakPolarHBondContact O-CB 3.39Å; P15-A19 PolarHBondContact O-N 3.13Å
16F97.3Very high84.4Confident8 Ų871.2 Ų71.24%0.03538%0.384CS..Hα-helixtrans-48.2-42.7170.8175.9-84.8000114.3H14 L20 R82 I85 R90 F93 V94H14-F16 VanDerWaalsContact ND1-CB 3.35Å; H14-F16 WeakPolarHBondContact ND1-CB 3.34Å; H14-F16 PolarHBondContact ND1-N 3.34Å; H14-F16 VanDerWaalsContact ND1-N 3.13Å; H14-F16 PolarHBondContact O-N 2.89Å; H14-F16 VanDerWaalsContact O-N 3.11Å; F16-L20 HydrophobicContact CD1-CD1 3.91Å; F16-L20 HydrophobicContact CD2-CD1 4.29Å; F16-L20 HydrophobicContact CE1-CD1 3.48Å; F16-L20 VanDerWaalsContact CE1-CD1 3.48Å; F16-L20 HydrophobicContact CE2-CD1 3.91Å; F16-L20 HydrophobicContact CG-CD1 4.29Å; F16-L20 HydrophobicContact CZ-CD1 3.47Å; F16-L20 VanDerWaalsContact CZ-CD1 3.47Å; F16-L20 WeakPolarHBondContact O-CB 3.41Å; F16-L20 WeakPolarHBondContact O-CD1 3.45Å; F16-L20 VanDerWaalsContact O-CG 3.27Å; F16-L20 WeakPolarHBondContact O-CG 3.21Å; F16-L20 PolarHBondContact O-N 3.12Å; F16-R82 HydrophobicContact CD1-CB 3.63Å; F16-R82 HydrophobicContact CD1-CG 3.8Å; F16-R82 HydrophobicContact CE1-CB 3.55Å; F16-R82 HydrophobicContact CE1-CG 4.1Å; F16-R82 HydrophobicContact CG-CB 4.4Å; F16-R82 HydrophobicContact CG-CG 4.07Å; F16-R82 HydrophobicContact CZ-CB 4.24Å; F16-I85 HydrophobicContact CE2-CD1 4.49Å; F16-I85 HydrophobicContact CZ-CD1 3.97Å; F16-R90 HydrophobicContact CD2-CB 3.96Å; F16-R90 HydrophobicContact CD2-CG 4.36Å; F16-R90 HydrophobicContact CE2-CB 4.01Å; F16-R90 HydrophobicContact CE2-CG 4.16Å; F16-F93 AromaticContact CE2-CD1 3.76Å; F16-F93 HydrophobicContact CE2-CD1 3.76Å; F16-F93 HydrophobicContact CE2-CE1 4.46Å; F16-F93 AromaticContact CZ-CD1 3.7Å; F16-F93 HydrophobicContact CZ-CD1 3.7Å; F16-F93 AromaticContact CZ-CE1 3.96Å; F16-F93 HydrophobicContact CZ-CE1 3.96Å; F16-V94 HydrophobicContact CD2-CG2 3.7Å; F16-V94 HydrophobicContact CE2-CG2 4.14Å; F16-V94 HydrophobicContact CG-CG2 4.37Å
17V97.2Very high86.2Confident6 Ų669.3 Ų69.34%0.03637%0.368CS..Hα-helixtrans-75-44.4-179173.20000109.9V13 H14 P15 L20 L21 L78V13-V17 HydrophobicContact CG1-CB 3.72Å; V13-V17 HydrophobicContact CG1-CG1 3.69Å; H14-V17 WeakPolarHBondContact O-CA 3.2Å; H14-V17 WeakPolarHBondContact O-CB 3.34Å; H14-V17 PolarHBondContact O-N 2.97Å; P15-V17 VanDerWaalsContact C-N 3.26Å; P15-V17 PolarHBondContact O-N 2.96Å; V17-L20 PolarHBondContact O-N 3.27Å; V17-L21 WeakPolarHBondContact O-CB 3.48Å; V17-L21 PolarHBondContact O-N 3.1Å; V17-L78 HydrophobicContact CB-CB 4.33Å; V17-L78 HydrophobicContact CG1-CB 3.9Å; V17-L78 HydrophobicContact CG1-CD1 4.15Å; V17-L78 HydrophobicContact CG2-CB 4.04Å
18E96Very high87.8Confident119 Ų11965 Ų6556%0.55635%0.351SS*.Hα-helixtrans-58.5-47.7177-178.2174.2-147.700112V13 H14 P15 L20 L21 P22V13-E18 HydrophobicContact CG1-CB 4.1Å; H14-E18 PolarHBondContact O-N 3.06Å; P15-E18 PolarHBondContact O-N 3.21Å; E18-L20 VanDerWaalsContact C-N 3.29Å; E18-L20 PolarHBondContact O-N 3.16Å; E18-L21 PolarHBondContact O-N 3.38Å; E18-P22 VanDerWaalsContact O-CD 3.27Å; E18-P22 WeakPolarHBondContact O-CD 3.27Å
19A96.7Very high89.4Confident36 Ų3661.8 Ų61.830%0.29834%0.336SS..Hα-helixtrans-65.9-27.5-179.900000114P15 Y23 V94P15-A19 WeakPolarHBondContact O-CB 3.39Å; P15-A19 PolarHBondContact O-N 3.13Å; A19-Y23 WeakPolarHBondContact O-CD2 3.49Å; A19-Y23 WeakPolarHBondContact O-CE2 3.31Å; A19-V94 HydrophobicContact CB-CG1 3.65Å
20L98Very high91.1Very high0 Ų053.6 Ų53.60%030%0.298CS..Hα-helixtrans-92.7-19.7179.4-69.8172.2000113.7F16 V17 E18 P22 Y23 V24 L78 F93 V94 V97 F139F16-L20 HydrophobicContact CD1-CD1 3.91Å; F16-L20 HydrophobicContact CD2-CD1 4.29Å; F16-L20 HydrophobicContact CE1-CD1 3.48Å; F16-L20 VanDerWaalsContact CE1-CD1 3.48Å; F16-L20 HydrophobicContact CE2-CD1 3.91Å; F16-L20 HydrophobicContact CG-CD1 4.29Å; F16-L20 HydrophobicContact CZ-CD1 3.47Å; F16-L20 VanDerWaalsContact CZ-CD1 3.47Å; F16-L20 WeakPolarHBondContact O-CB 3.41Å; F16-L20 WeakPolarHBondContact O-CD1 3.45Å; F16-L20 VanDerWaalsContact O-CG 3.27Å; F16-L20 WeakPolarHBondContact O-CG 3.21Å; F16-L20 PolarHBondContact O-N 3.12Å; V17-L20 PolarHBondContact O-N 3.27Å; E18-L20 VanDerWaalsContact C-N 3.29Å; E18-L20 PolarHBondContact O-N 3.16Å; L20-P22 VanDerWaalsContact C-CD 3.47Å; L20-P22 VanDerWaalsContact C-N 3.34Å; L20-Y23 PolarHBondContact O-N 2.93Å; L20-V24 PolarHBondContact O-N 2.69Å; L20-L78 HydrophobicContact CB-CD1 3.94Å; L20-L78 HydrophobicContact CB-CD2 3.96Å; L20-L78 HydrophobicContact CD1-CD2 4.17Å; L20-F93 HydrophobicContact CD1-CD1 3.88Å; L20-F93 HydrophobicContact CD1-CE1 3.58Å; L20-F93 HydrophobicContact CD2-CD1 4.48Å; L20-F93 HydrophobicContact CD2-CE1 4.23Å; L20-V94 HydrophobicContact CD1-CG2 4.28Å; L20-V94 HydrophobicContact CD2-CG2 4.38Å; L20-V94 HydrophobicContact CG-CG2 4.13Å; L20-V97 HydrophobicContact CD2-CB 3.65Å; L20-V97 HydrophobicContact CD2-CG1 3.57Å; L20-V97 HydrophobicContact CD2-CG2 4.08Å; L20-F139 HydrophobicContact CD2-CE1 4.31Å; L20-F139 HydrophobicContact CD2-CZ 4.49Å
21L96.7Very high92.7Very high13 Ų1352.1 Ų52.17%0.06829%0.288CS..G310 helixtrans-57.3-36.6-177.1-156.462.2000113.7Y7 V17 E18 Y23 Q71 A74 L78Y7-L21 HydrophobicContact CD1-CD2 4Å; Y7-L21 HydrophobicContact CD1-CG 3.91Å; Y7-L21 HydrophobicContact CE1-CB 4.44Å; Y7-L21 HydrophobicContact CE1-CD2 4.5Å; Y7-L21 HydrophobicContact CE1-CG 3.91Å; Y7-L21 WeakPolarHBondContact CE1-O 3.39Å; Y7-L21 PolarHBondContact OH-O 2.81Å; V17-L21 WeakPolarHBondContact O-CB 3.48Å; V17-L21 PolarHBondContact O-N 3.1Å; E18-L21 PolarHBondContact O-N 3.38Å; L21-Y23 PolarHBondContact O-N 2.92Å; L21-Q71 HydrophobicContact CD1-CG 4.34Å; L21-Q71 HydrophobicContact CD2-CG 3.7Å; L21-Q71 HydrophobicContact CG-CG 4.22Å; L21-A74 HydrophobicContact CD1-CB 3.77Å; L21-L78 HydrophobicContact CB-CD1 4.42Å; L21-L78 HydrophobicContact CD1-CD1 3.93Å
22P95.9Very high94.2Very high69 Ų6945 Ų4545%0.44825%0.25SS..G310 helixtrans-65.1-15.6172.8-24.236.2000115.8Y7 E18 L20Y7-P22 HydrophobicContact CE2-CB 4.28Å; Y7-P22 HydrophobicContact CE2-CG 4.48Å; Y7-P22 WeakPolarHBondContact OH-CA 3.39Å; E18-P22 VanDerWaalsContact O-CD 3.27Å; E18-P22 WeakPolarHBondContact O-CD 3.27Å; L20-P22 VanDerWaalsContact C-CD 3.47Å; L20-P22 VanDerWaalsContact C-N 3.34Å
23Y97.3Very high95.2Very high86 Ų8642.3 Ų42.334%0.33722%0.215SC..G310 helixtrans-106.7-11.6-170.6-60.7-93.8000113.3A19 L20 L21 K25 V97 T98A19-Y23 WeakPolarHBondContact O-CD2 3.49Å; A19-Y23 WeakPolarHBondContact O-CE2 3.31Å; L20-Y23 PolarHBondContact O-N 2.93Å; L21-Y23 PolarHBondContact O-N 2.92Å; Y23-K25 PolarHBondContact O-N 2.83Å; Y23-V97 HydrophobicContact CD1-CG1 4.17Å; Y23-V97 WeakPolarHBondContact CD1-O 3.47Å; Y23-V97 HydrophobicContact CD2-CG1 4.48Å; Y23-V97 WeakPolarHBondContact CE1-O 3.14Å; Y23-V97 HydrophobicContact CG-CG1 3.82Å; Y23-T98 HydrophobicContact CD2-CG2 4.33Å; Y23-T98 HydrophobicContact CE2-CG2 3.63Å
24V97.8Very high95.8Very high14 Ų1440.7 Ų40.79%0.08521%0.205CC..SBendtrans-70.4119.8172.7178.20000109L20 E26 W73 A74 L78 L138 F139L20-V24 PolarHBondContact O-N 2.69Å; V24-E26 PolarHBondContact O-N 3.5Å; V24-W73 HydrophobicContact CG1-CZ3 4.27Å; V24-A74 HydrophobicContact CG1-CB 4.21Å; V24-L78 HydrophobicContact CG2-CD1 3.85Å; V24-L78 HydrophobicContact CG2-CD2 4.01Å; V24-L78 HydrophobicContact CG2-CG 4.11Å; V24-L138 WeakPolarHBondContact CA-O 3.45Å; V24-L138 HydrophobicContact CG1-CD2 3.75Å; V24-F139 HydrophobicContact CG2-CE1 4.15Å; V24-F139 HydrophobicContact CG2-CZ 4.44Å
25K96.5Very high95.9Very high98 Ų9837 Ų3743%0.42619%0.188SC..  trans-66.7126.9177.6-55.2-58.8178.5178.70110Y23 F27 A28 L138 F139Y23-K25 PolarHBondContact O-N 2.83Å; K25-F27 HydrophobicContact CB-CB 4.46Å; K25-F27 PolarHBondContact O-N 3.38Å; K25-F27 VanDerWaalsContact O-N 3.16Å; K25-A28 VanDerWaalsContact O-CB 3.26Å; K25-A28 WeakPolarHBondContact O-CB 3.48Å; K25-A28 PolarHBondContact O-N 2.89Å; K25-L138 WeakPolarHBondContact CG-O 3.43Å; K25-L138 PolarHBondContact N-O 2.82Å; K25-F139 WeakPolarHBondContact CE-O 3.37Å
26E92.2Very high95.8Very high86 Ų8633 Ų3340%0.40216%0.162SC..THydrogen-bonded Turntrans-54.8-35.2177.6-176.6173.8-164.600112.6V24 A28 Y29 K70V24-E26 PolarHBondContact O-N 3.5Å; E26-A28 PolarHBondContact O-N 2.77Å; E26-A28 VanDerWaalsContact O-N 3.1Å; E26-Y29 WeakPolarHBondContact O-CB 3.43Å; E26-Y29 PolarHBondContact O-N 3.37Å; E26-Y29 VanDerWaalsContact O-N 3.09Å; E26-K70 HydrophobicContact CG-CD 3.97Å; E26-K70 WeakPolarHBondContact OE1-CD 3.18Å; E26-K70 IonicContact OE1-NZ 2.7Å; E26-K70 PolarHBondContact OE1-NZ 2.89Å
27F93.4Very high95.5Very high60 Ų6033.7 Ų33.726%0.26317%0.169SC..Hα-helixtrans-44.4-40.2169.9168.7-95.2000113.4K25 Y29 V30 W31 G141 P143K25-F27 HydrophobicContact CB-CB 4.46Å; K25-F27 PolarHBondContact O-N 3.38Å; K25-F27 VanDerWaalsContact O-N 3.16Å; F27-Y29 VanDerWaalsContact C-N 3.28Å; F27-Y29 PolarHBondContact O-N 2.98Å; F27-V30 PolarHBondContact O-N 3.46Å; F27-V30 VanDerWaalsContact O-N 3.1Å; F27-W31 HydrophobicContact CD1-CB 4.26Å; F27-W31 HydrophobicContact CE1-CB 3.64Å; F27-W31 HydrophobicContact CE1-CD2 4.22Å; F27-W31 AromaticContact CE1-CG 3.82Å; F27-W31 HydrophobicContact CE1-CG 3.82Å; F27-W31 HydrophobicContact CE2-CB 4.33Å; F27-W31 HydrophobicContact CE2-CE3 4.21Å; F27-W31 HydrophobicContact CZ-CB 3.67Å; F27-W31 AromaticContact CZ-CD2 3.7Å; F27-W31 HydrophobicContact CZ-CD2 3.7Å; F27-W31 AromaticContact CZ-CE3 3.64Å; F27-W31 HydrophobicContact CZ-CE3 3.64Å; F27-W31 AromaticContact CZ-CG 3.74Å; F27-W31 HydrophobicContact CZ-CG 3.74Å; F27-W31 HydrophobicContact CZ-CZ3 4.49Å; F27-W31 PolarHBondContact O-N 3.24Å; F27-G141 WeakPolarHBondContact CD1-O 3.13Å; F27-G141 WeakPolarHBondContact CE1-O 3.33Å; F27-P143 HydrophobicContact CZ-CB 3.86Å
28A96.7Very high95.2Very high0 Ų035.8 Ų35.80%018%0.178CC..Hα-helixtrans-62.3-34.7-175.600000112.5K25 E26 W31 F32 W73 V137 L138K25-A28 VanDerWaalsContact O-CB 3.26Å; K25-A28 WeakPolarHBondContact O-CB 3.48Å; K25-A28 PolarHBondContact O-N 2.89Å; E26-A28 PolarHBondContact O-N 2.77Å; E26-A28 VanDerWaalsContact O-N 3.1Å; A28-W31 PolarHBondContact O-N 2.95Å; A28-F32 HydrophobicContact CB-CD2 4.37Å; A28-F32 HydrophobicContact CB-CE2 4.29Å; A28-F32 WeakPolarHBondContact O-CD2 3.42Å; A28-F32 PolarHBondContact O-N 3.1Å; A28-W73 HydrophobicContact CB-CH2 3.85Å; A28-W73 HydrophobicContact CB-CZ3 4.38Å; A28-V137 HydrophobicContact CB-CG1 3.94Å; A28-L138 HydrophobicContact CB-CD2 3.95Å
29Y97.1Very high94.8Very high16 Ų1632.6 Ų32.66%0.06316%0.161CC..Hα-helixtrans-60.8-48.5174.3177.3-90.7000110.7E26 F27 N33 L62 E65 V69 K70 W73E26-Y29 WeakPolarHBondContact O-CB 3.43Å; E26-Y29 PolarHBondContact O-N 3.37Å; E26-Y29 VanDerWaalsContact O-N 3.09Å; F27-Y29 VanDerWaalsContact C-N 3.28Å; F27-Y29 PolarHBondContact O-N 2.98Å; Y29-N33 VanDerWaalsContact CE2-ND2 3.35Å; Y29-N33 WeakPolarHBondContact CE2-ND2 3.27Å; Y29-N33 WeakPolarHBondContact O-CB 3.49Å; Y29-N33 PolarHBondContact O-N 3.42Å; Y29-N33 PolarHBondContact O-ND2 2.8Å; Y29-L62 HydrophobicContact CE1-CD2 3.93Å; Y29-E65 HydrophobicContact CE1-CB 4.02Å; Y29-E65 HydrophobicContact CE1-CG 3.82Å; Y29-V69 HydrophobicContact CE2-CG1 4.48Å; Y29-K70 HydrophobicContact CD1-CD 4.18Å; Y29-K70 HydrophobicContact CD1-CG 3.82Å; Y29-K70 HydrophobicContact CD2-CB 4.28Å; Y29-K70 HydrophobicContact CD2-CG 4.19Å; Y29-K70 HydrophobicContact CE1-CG 4.18Å; Y29-K70 HydrophobicContact CG-CB 4.23Å; Y29-K70 HydrophobicContact CG-CD 4.39Å; Y29-K70 HydrophobicContact CG-CG 3.85Å; Y29-W73 HydrophobicContact CD2-CB 3.88Å; Y29-W73 AromaticContact CD2-CD2 3.7Å; Y29-W73 HydrophobicContact CD2-CD2 3.7Å; Y29-W73 AromaticContact CD2-CE3 3.68Å; Y29-W73 HydrophobicContact CD2-CE3 3.68Å; Y29-W73 AromaticContact CD2-CG 3.78Å; Y29-W73 HydrophobicContact CD2-CG 3.78Å; Y29-W73 HydrophobicContact CD2-CZ3 4.49Å; Y29-W73 HydrophobicContact CE2-CB 3.94Å; Y29-W73 HydrophobicContact CE2-CD2 4.49Å; Y29-W73 HydrophobicContact CE2-CG 4.11Å; Y29-W73 HydrophobicContact CG-CE3 4.26Å
30V96.2Very high94.4Very high5 Ų537.3 Ų37.33%0.0317%0.171CC..Hα-helixtrans-63.7-45.6179.6-177.50000110.2F27 L34 K59 L62 L63F27-V30 PolarHBondContact O-N 3.46Å; F27-V30 VanDerWaalsContact O-N 3.1Å; V30-L34 WeakPolarHBondContact O-CB 3.4Å; V30-L34 PolarHBondContact O-N 3.33Å; V30-K59 HydrophobicContact CG1-CG 3.96Å; V30-L62 HydrophobicContact CB-CB 4.41Å; V30-L62 HydrophobicContact CG1-CB 4Å; V30-L62 HydrophobicContact CG2-CB 4.29Å; V30-L63 HydrophobicContact CG1-CG 4.45Å; V30-L63 HydrophobicContact CG2-CD2 3.96Å; V30-L63 HydrophobicContact CG2-CG 4.19Å
31W95.9Very high93.7Very high34 Ų3437.9 Ų37.913%0.12917%0.173CC..Hα-helixtrans-60.7-55.6-179.2-171.1-114.9000112.5F27 A28 N33 L34 Q35 P143 L144F27-W31 HydrophobicContact CD1-CB 4.26Å; F27-W31 HydrophobicContact CE1-CB 3.64Å; F27-W31 HydrophobicContact CE1-CD2 4.22Å; F27-W31 AromaticContact CE1-CG 3.82Å; F27-W31 HydrophobicContact CE1-CG 3.82Å; F27-W31 HydrophobicContact CE2-CB 4.33Å; F27-W31 HydrophobicContact CE2-CE3 4.21Å; F27-W31 HydrophobicContact CZ-CB 3.67Å; F27-W31 AromaticContact CZ-CD2 3.7Å; F27-W31 HydrophobicContact CZ-CD2 3.7Å; F27-W31 AromaticContact CZ-CE3 3.64Å; F27-W31 HydrophobicContact CZ-CE3 3.64Å; F27-W31 AromaticContact CZ-CG 3.74Å; F27-W31 HydrophobicContact CZ-CG 3.74Å; F27-W31 HydrophobicContact CZ-CZ3 4.49Å; F27-W31 PolarHBondContact O-N 3.24Å; A28-W31 PolarHBondContact O-N 2.95Å; W31-N33 VanDerWaalsContact C-N 3.33Å; W31-N33 PolarHBondContact O-N 2.94Å; W31-L34 PolarHBondContact O-N 3.21Å; W31-Q35 HydrophobicContact CD2-CG 4.21Å; W31-Q35 HydrophobicContact CZ2-CG 4.35Å; W31-Q35 VanDerWaalsContact CZ2-NE2 3.32Å; W31-Q35 VanDerWaalsContact O-CB 3.3Å; W31-Q35 WeakPolarHBondContact O-CB 3.46Å; W31-Q35 WeakPolarHBondContact O-CG 3.39Å; W31-Q35 PolarHBondContact O-N 3.22Å; W31-P143 HydrophobicContact CD2-CB 4.32Å; W31-P143 HydrophobicContact CE3-CB 4.16Å; W31-P143 HydrophobicContact CH2-CB 3.61Å; W31-P143 VanDerWaalsContact CZ2-C 3.44Å; W31-P143 HydrophobicContact CZ2-CB 3.78Å; W31-P143 WeakPolarHBondContact CZ2-O 3.49Å; W31-P143 HydrophobicContact CZ3-CB 3.81Å; W31-L144 PolarHBondContact NE1-O 2.96Å
32F95.8Very high93.1Very high1 Ų142.1 Ų42.10%0.00419%0.192CC..Hα-helixtrans-62.8-38.9-177.3-73.6-61.6000112.4A28 S36 W73 C121 L122 W129 V134 V137 L138A28-F32 HydrophobicContact CB-CD2 4.37Å; A28-F32 HydrophobicContact CB-CE2 4.29Å; A28-F32 WeakPolarHBondContact O-CD2 3.42Å; A28-F32 PolarHBondContact O-N 3.1Å; F32-S36 PolarHBondContact O-N 3.41Å; F32-W73 AromaticContact CD2-CH2 3.9Å; F32-W73 HydrophobicContact CD2-CH2 3.9Å; F32-W73 AromaticContact CD2-CZ2 3.55Å; F32-W73 HydrophobicContact CD2-CZ2 3.55Å; F32-W73 HydrophobicContact CE2-CH2 4.36Å; F32-W73 HydrophobicContact CE2-CZ2 4.19Å; F32-W73 HydrophobicContact CG-CZ2 4.42Å; F32-C121 HydrophobicContact CB-CB 4.46Å; F32-C121 HydrophobicContact CD1-CB 3.88Å; F32-C121 HydrophobicContact CD2-CB 4.39Å; F32-C121 HydrophobicContact CE1-CB 4.18Å; F32-C121 VanDerWaalsContact CE1-SG 3.53Å; F32-C121 HydrophobicContact CG-CB 4Å; F32-L122 HydrophobicContact CB-CD2 4.47Å; F32-W129 HydrophobicContact CD1-CD2 4.38Å; F32-W129 AromaticContact CD1-CE2 3.82Å; F32-W129 HydrophobicContact CD1-CH2 4.28Å; F32-W129 AromaticContact CD1-CZ2 3.79Å; F32-W129 HydrophobicContact CD1-CZ2 3.79Å; F32-W129 AromaticContact CE1-CD2 3.81Å; F32-W129 HydrophobicContact CE1-CD2 3.81Å; F32-W129 AromaticContact CE1-CE2 3.74Å; F32-W129 HydrophobicContact CE1-CE3 4.02Å; F32-W129 HydrophobicContact CE1-CG 4.34Å; F32-W129 HydrophobicContact CE1-CH2 4.12Å; F32-W129 AromaticContact CE1-CZ2 3.91Å; F32-W129 HydrophobicContact CE1-CZ2 3.91Å; F32-W129 HydrophobicContact CE1-CZ3 4.16Å; F32-V134 HydrophobicContact CE1-CG2 4.42Å; F32-V134 HydrophobicContact CZ-CB 4.46Å; F32-V134 HydrophobicContact CZ-CG1 4.2Å; F32-V134 HydrophobicContact CZ-CG2 4.15Å; F32-V137 HydrophobicContact CD2-CG1 4.22Å; F32-V137 HydrophobicContact CE1-CG1 4.34Å; F32-V137 HydrophobicContact CE2-CB 4.18Å; F32-V137 HydrophobicContact CE2-CG1 3.49Å; F32-V137 VanDerWaalsContact CE2-CG1 3.49Å; F32-V137 HydrophobicContact CZ-CB 3.85Å; F32-V137 HydrophobicContact CZ-CG1 3.56Å; F32-V137 HydrophobicContact CZ-CG2 4.33Å; F32-L138 HydrophobicContact CE2-CD2 4.29Å; F32-L138 HydrophobicContact CE2-CG 4.5Å
33N95.4Very high92.6Very high31 Ų3147.8 Ų47.817%0.16621%0.21CC..Hα-helixtrans-72.2-42178.3-75.9-72.7000112.9Y29 W31 Q35 S36 A37 L62Y29-N33 VanDerWaalsContact CE2-ND2 3.35Å; Y29-N33 WeakPolarHBondContact CE2-ND2 3.27Å; Y29-N33 WeakPolarHBondContact O-CB 3.49Å; Y29-N33 PolarHBondContact O-N 3.42Å; Y29-N33 PolarHBondContact O-ND2 2.8Å; W31-N33 VanDerWaalsContact C-N 3.33Å; W31-N33 PolarHBondContact O-N 2.94Å; N33-Q35 VanDerWaalsContact C-N 3.27Å; N33-Q35 PolarHBondContact O-N 3.07Å; N33-S36 WeakPolarHBondContact O-CA 3.33Å; N33-S36 VanDerWaalsContact O-CB 3.24Å; N33-S36 WeakPolarHBondContact O-CB 3.35Å; N33-S36 PolarHBondContact O-N 3.1Å; N33-S36 VanDerWaalsContact O-N 3.08Å; N33-A37 PolarHBondContact O-N 3.02Å; N33-L62 HydrophobicContact CB-CD1 3.71Å; N33-L62 HydrophobicContact CB-CD2 3.58Å; N33-L62 HydrophobicContact CB-CG 4.3Å
34L93.8Very high91.9Very high4 Ų451 Ų512%0.02123%0.228CC..Hα-helixtrans-60.5-41174178.761000110.7V30 W31 S36 A37 K38 E55 I58 K59 L62V30-L34 WeakPolarHBondContact O-CB 3.4Å; V30-L34 PolarHBondContact O-N 3.33Å; W31-L34 PolarHBondContact O-N 3.21Å; L34-S36 VanDerWaalsContact C-N 3.32Å; L34-S36 PolarHBondContact O-N 2.61Å; L34-A37 WeakPolarHBondContact O-CB 3.34Å; L34-A37 PolarHBondContact O-N 3.28Å; L34-A37 VanDerWaalsContact O-N 3.15Å; L34-K38 WeakPolarHBondContact O-CG 2.95Å; L34-K38 PolarHBondContact O-N 3.27Å; L34-E55 HydrophobicContact CD1-CG 4.21Å; L34-E55 HydrophobicContact CD2-CG 4.3Å; L34-I58 HydrophobicContact CD1-CB 4.18Å; L34-I58 HydrophobicContact CD1-CG2 3.73Å; L34-K59 HydrophobicContact CD2-CB 4.42Å; L34-L62 HydrophobicContact CB-CD1 4.03Å
35Q92.8Very high90.9Very high5 Ų556.9 Ų56.92%0.02325%0.249CC..Hα-helixtrans-66.6-32.5175-69.9-64.5-2.400112.9W31 N33 R39 W129 E145W31-Q35 HydrophobicContact CD2-CG 4.21Å; W31-Q35 HydrophobicContact CZ2-CG 4.35Å; W31-Q35 VanDerWaalsContact CZ2-NE2 3.32Å; W31-Q35 VanDerWaalsContact O-CB 3.3Å; W31-Q35 WeakPolarHBondContact O-CB 3.46Å; W31-Q35 WeakPolarHBondContact O-CG 3.39Å; W31-Q35 PolarHBondContact O-N 3.22Å; N33-Q35 VanDerWaalsContact C-N 3.27Å; N33-Q35 PolarHBondContact O-N 3.07Å; Q35-R39 WeakPolarHBondContact O-CG 3.23Å; Q35-R39 PolarHBondContact O-N 3.23Å; Q35-R39 VanDerWaalsContact O-N 3.14Å; Q35-R39 PolarHBondContact O-NH1 2.73Å; Q35-W129 HydrophobicContact CB-CZ2 4.42Å; Q35-E145 PolarHBondContact NE2-OE1 3.4Å; Q35-E145 PolarHBondContact OE1-OE1 2.7Å; Q35-E145 VanDerWaalsContact OE1-OE1 3.11Å
36S92.9Very high89.9Confident1 Ų161 Ų611%0.00727%0.266CS..Hα-helixtrans-63.4-45.2168.5-152.30000111.4F32 N33 L34 R39 R40 D126F32-S36 PolarHBondContact O-N 3.41Å; N33-S36 WeakPolarHBondContact O-CA 3.33Å; N33-S36 VanDerWaalsContact O-CB 3.24Å; N33-S36 WeakPolarHBondContact O-CB 3.35Å; N33-S36 PolarHBondContact O-N 3.1Å; N33-S36 VanDerWaalsContact O-N 3.08Å; L34-S36 VanDerWaalsContact C-N 3.32Å; L34-S36 PolarHBondContact O-N 2.61Å; S36-R39 PolarHBondContact O-N 2.76Å; S36-R40 WeakPolarHBondContact O-CB 3.48Å; S36-R40 VanDerWaalsContact O-CG 3.24Å; S36-R40 WeakPolarHBondContact O-CG 3.18Å; S36-R40 PolarHBondContact O-N 2.77Å; S36-R40 PolarHBondContact OG-NE 2.93Å; S36-R40 VanDerWaalsContact OG-NE 3.16Å; S36-R40 PolarHBondContact OG-NH2 2.76Å; S36-D126 WeakPolarHBondContact CB-OD2 3.18Å; S36-D126 VanDerWaalsContact OG-CG 3.24Å; S36-D126 PolarHBondContact OG-OD2 3.15Å
37A91.9Very high88.8Confident23 Ų2360 Ų6019%0.1926%0.262CS..Hα-helixtrans-62.2-46.117900000112N33 L34 R39 R40 R41 M50 I58N33-A37 PolarHBondContact O-N 3.02Å; L34-A37 WeakPolarHBondContact O-CB 3.34Å; L34-A37 PolarHBondContact O-N 3.28Å; L34-A37 VanDerWaalsContact O-N 3.15Å; A37-R39 PolarHBondContact O-N 2.7Å; A37-R40 PolarHBondContact O-N 3.23Å; A37-R41 WeakPolarHBondContact O-CB 3.41Å; A37-R41 PolarHBondContact O-N 3.31Å; A37-M50 HydrophobicContact CB-CE 4.37Å; A37-I58 HydrophobicContact CB-CD1 4.32Å; A37-I58 HydrophobicContact CB-CG2 4.05Å
38K89.8Confident87.7Confident51 Ų5168.1 Ų68.122%0.22229%0.291CS..Hα-helixtrans-55.4-47.8173.2-70.9-179.8-177.5-1720111.9L34 R41 H42 M50 E55L34-K38 WeakPolarHBondContact O-CG 2.95Å; L34-K38 PolarHBondContact O-N 3.27Å; K38-R41 PolarHBondContact O-N 3.01Å; K38-H42 PolarHBondContact O-N 2.99Å; K38-M50 HydrophobicContact CG-CB 4.47Å; K38-M50 HydrophobicContact CG-CE 4.42Å; K38-M50 HydrophobicContact CG-SD 4.02Å; K38-E55 VanDerWaalsContact CE-OE1 3.23Å; K38-E55 WeakPolarHBondContact CE-OE1 3.2Å; K38-E55 WeakPolarHBondContact CE-OE2 3.28Å; K38-E55 IonicContact NZ-OE1 3.06Å; K38-E55 PolarHBondContact NZ-OE1 2.96Å; K38-E55 IonicContact NZ-OE2 3.3Å; K38-E55 PolarHBondContact NZ-OE2 3.48Å
39R88.1Confident86.9Confident51 Ų5176.9 Ų76.919%0.19233%0.329CS..Hα-helixtrans-62.7-44.9176.9-75.6-173-66.3-84.51.4113.1Q35 S36 A37 H42 K43 D126Q35-R39 WeakPolarHBondContact O-CG 3.23Å; Q35-R39 PolarHBondContact O-N 3.23Å; Q35-R39 VanDerWaalsContact O-N 3.14Å; Q35-R39 PolarHBondContact O-NH1 2.73Å; S36-R39 PolarHBondContact O-N 2.76Å; A37-R39 PolarHBondContact O-N 2.7Å; R39-H42 PolarHBondContact O-N 3.1Å; R39-K43 WeakPolarHBondContact O-CB 3.23Å; R39-K43 PolarHBondContact O-N 2.9Å; R39-D126 IonicContact CZ-OD1 2.72Å; R39-D126 VanDerWaalsContact CZ-OD1 3.3Å; R39-D126 IonicContact CZ-OD2 3.91Å; R39-D126 IonicContact NE-OD1 3.93Å; R39-D126 PolarHBondContact NE-OD1 2.93Å; R39-D126 IonicContact NE-OD2 3.1Å; R39-D126 VanDerWaalsContact NH2-CG 3.28Å; R39-D126 IonicContact NH2-OD1 3.05Å; R39-D126 PolarHBondContact NH2-OD1 2.82Å; R39-D126 IonicContact NH2-OD2 2.64Å; R39-D126 PolarHBondContact NH2-OD2 2.84Å
40R87.9Confident86.3Confident136 Ų13677.2 Ų77.251%0.51333%0.331SS..Hα-helixtrans-60.9-46.5177.5-70.2169.4-160-156.55.3110.8S36 A37 K43 Q44S36-R40 WeakPolarHBondContact O-CB 3.48Å; S36-R40 VanDerWaalsContact O-CG 3.24Å; S36-R40 WeakPolarHBondContact O-CG 3.18Å; S36-R40 PolarHBondContact O-N 2.77Å; S36-R40 PolarHBondContact OG-NE 2.93Å; S36-R40 VanDerWaalsContact OG-NE 3.16Å; S36-R40 PolarHBondContact OG-NH2 2.76Å; A37-R40 PolarHBondContact O-N 3.23Å; R40-K43 PolarHBondContact O-N 2.9Å; R40-Q44 WeakPolarHBondContact O-CB 3.25Å; R40-Q44 VanDerWaalsContact O-CG 3.29Å; R40-Q44 WeakPolarHBondContact O-CG 3.43Å; R40-Q44 PolarHBondContact O-N 3.09Å
41R84.3Confident85.9Confident12 Ų1280.1 Ų80.15%0.04535%0.35CS..Hα-helixtrans-60.1-47.7177.8-169.9-112.1-170.964.69.5112.4A37 K38 K43 Q44 R45 E47 M50 P51 E54A37-R41 WeakPolarHBondContact O-CB 3.41Å; A37-R41 PolarHBondContact O-N 3.31Å; K38-R41 PolarHBondContact O-N 3.01Å; R41-K43 VanDerWaalsContact C-N 3.34Å; R41-K43 PolarHBondContact O-N 3.24Å; R41-Q44 PolarHBondContact O-N 2.92Å; R41-R45 PolarHBondContact O-N 3.29Å; R41-E47 IonicContact CZ-OE2 2.76Å; R41-E47 IonicContact NE-OE2 3.31Å; R41-E47 PolarHBondContact NE-OE2 3.25Å; R41-E47 IonicContact NH2-OE2 2.9Å; R41-E47 PolarHBondContact NH2-OE2 3.06Å; R41-M50 HydrophobicContact CB-CE 4.06Å; R41-M50 HydrophobicContact CG-CE 4.39Å; R41-P51 VanDerWaalsContact NH1-CD 3.28Å; R41-E54 IonicContact CZ-OE1 2.71Å; R41-E54 IonicContact CZ-OE2 3.16Å; R41-E54 IonicContact NH1-OE1 3.97Å; R41-E54 PolarHBondContact NH1-OE1 3.16Å; R41-E54 IonicContact NH1-OE2 2.87Å; R41-E54 PolarHBondContact NH1-OE2 3.2Å; R41-E54 IonicContact NH2-OE2 2.61Å; R41-E54 PolarHBondContact NH2-OE2 3.08Å
42H84.1Confident85.5Confident102 Ų10283.6 Ų83.647%0.47237%0.37SS..Hα-helixtrans-59.3-43.4175.7179.1-133000111.9K38 R39 K46 E47K38-H42 PolarHBondContact O-N 2.99Å; R39-H42 PolarHBondContact O-N 3.1Å; H42-K46 VanDerWaalsContact O-CA 3.27Å; H42-K46 WeakPolarHBondContact O-CA 3.08Å; H42-K46 PolarHBondContact O-N 3.17Å; H42-K46 VanDerWaalsContact O-N 3.08Å; H42-E47 PolarHBondContact CD2-O 2.98Å
43K84.2Confident85.3Confident188 Ų18888.7 Ų88.782%0.81739%0.394SS*.Hα-helixtrans-66-37.9177.2-173.9177.6178.8-1780113.2R39 R40 R41R39-K43 WeakPolarHBondContact O-CB 3.23Å; R39-K43 PolarHBondContact O-N 2.9Å; R40-K43 PolarHBondContact O-N 2.9Å; R41-K43 VanDerWaalsContact C-N 3.34Å; R41-K43 PolarHBondContact O-N 3.24Å
44Q82.5Confident85.1Confident153 Ų15390.3 Ų90.372%0.71540%0.401SS*.Hα-helixtrans-82.3-45.6-175.7-72.8169.3-17.900113.1R40 R41R40-Q44 WeakPolarHBondContact O-CB 3.25Å; R40-Q44 VanDerWaalsContact O-CG 3.29Å; R40-Q44 WeakPolarHBondContact O-CG 3.43Å; R40-Q44 PolarHBondContact O-N 3.09Å; R41-Q44 PolarHBondContact O-N 2.92Å
45R78.3Confident85Confident137 Ų13792.3 Ų92.352%0.51741%0.41SS..Hα-helixtrans-101-6.1-171.9-67.2174.859.9158.4-0.4114R41 E47R41-R45 PolarHBondContact O-N 3.29Å; R45-E47 HydrophobicContact CB-CB 4.33Å; R45-E47 HydrophobicContact CB-CG 4.08Å; R45-E47 IonicContact CZ-OE1 3.25Å; R45-E47 IonicContact CZ-OE2 3.68Å; R45-E47 VanDerWaalsContact NE-CD 3.29Å; R45-E47 IonicContact NE-OE1 3.41Å; R45-E47 PolarHBondContact NE-OE1 2.67Å; R45-E47 IonicContact NE-OE2 3.82Å; R45-E47 PolarHBondContact NE-OE2 2.96Å; R45-E47 IonicContact NH2-OE1 2.73Å; R45-E47 PolarHBondContact NH2-OE1 3.04Å; R45-E47 IonicContact NH2-OE2 3.23Å; R45-E47 PolarHBondContact NH2-OE2 3.08Å; R45-E47 PolarHBondContact O-N 2.91Å
46K74.5Confident85Confident184 Ų18497.2 Ų97.280%0.843%0.431SS*.  trans58.94.5-170.4-56.9179.5-179.1176.10114.9H42H42-K46 VanDerWaalsContact O-CA 3.27Å; H42-K46 WeakPolarHBondContact O-CA 3.08Å; H42-K46 PolarHBondContact O-N 3.17Å; H42-K46 VanDerWaalsContact O-N 3.08Å
47E70.4Confident85.2Confident66 Ų66100.1 Ų100.131%0.30845%0.449SS..  trans-75.8120.2178.4-71.6165.5-152.100111.1R41 H42 R45 K49R41-E47 IonicContact CZ-OE2 2.76Å; R41-E47 IonicContact NE-OE2 3.31Å; R41-E47 PolarHBondContact NE-OE2 3.25Å; R41-E47 IonicContact NH2-OE2 2.9Å; R41-E47 PolarHBondContact NH2-OE2 3.06Å; H42-E47 PolarHBondContact CD2-O 2.98Å; R45-E47 HydrophobicContact CB-CB 4.33Å; R45-E47 HydrophobicContact CB-CG 4.08Å; R45-E47 IonicContact CZ-OE1 3.25Å; R45-E47 IonicContact CZ-OE2 3.68Å; R45-E47 VanDerWaalsContact NE-CD 3.29Å; R45-E47 IonicContact NE-OE1 3.41Å; R45-E47 PolarHBondContact NE-OE1 2.67Å; R45-E47 IonicContact NE-OE2 3.82Å; R45-E47 PolarHBondContact NE-OE2 2.96Å; R45-E47 IonicContact NH2-OE1 2.73Å; R45-E47 PolarHBondContact NH2-OE1 3.04Å; R45-E47 IonicContact NH2-OE2 3.23Å; R45-E47 PolarHBondContact NH2-OE2 3.08Å; R45-E47 PolarHBondContact O-N 2.91Å; E47-K49 VanDerWaalsContact C-N 3.28Å; E47-K49 PolarHBondContact O-N 2.87Å
48R70Confident85.3Confident230 Ų230100.9 Ų100.987%0.86845%0.449SS*.SBendtrans-66.5-21.6-175-69.7-176.6177.7177.4-0.4114.9
49K80Confident85.5Confident185 Ų185102.4 Ų102.480%0.80446%0.456SS*.SBendtrans-136144.5-178.6-67.5-173.2177.8-176.80110.5E47E47-K49 VanDerWaalsContact C-N 3.28Å; E47-K49 PolarHBondContact O-N 2.87Å
50M84.2Confident85.9Confident23 Ų23105.3 Ų105.311%0.11347%0.472CS..  trans-82133.4167.9177.6169.6-83.500108.4A37 K38 R41 E54 E55 I58A37-M50 HydrophobicContact CB-CE 4.37Å; K38-M50 HydrophobicContact CG-CB 4.47Å; K38-M50 HydrophobicContact CG-CE 4.42Å; K38-M50 HydrophobicContact CG-SD 4.02Å; R41-M50 HydrophobicContact CB-CE 4.06Å; R41-M50 HydrophobicContact CG-CE 4.39Å; M50-E54 HydrophobicContact CG-CB 4.18Å; M50-E55 HydrophobicContact CG-CB 4.03Å; M50-E55 HydrophobicContact SD-CB 3.94Å; M50-I58 HydrophobicContact CE-CD1 3.54Å; M50-I58 HydrophobicContact SD-CD1 3.88Å
51P87.8Confident86.3Confident66 Ų66105.8 Ų105.843%0.42948%0.478SS..  trans-59.6143.5171.5-2535.4000111.2R41 E53 E54 E55R41-P51 VanDerWaalsContact NH1-CD 3.28Å; P51-E53 VanDerWaalsContact C-N 3.28Å; P51-E53 PolarHBondContact O-N 3.36Å; P51-E54 PolarHBondContact O-N 3.46Å; P51-E54 VanDerWaalsContact O-N 3.08Å; P51-E55 PolarHBondContact O-N 3.01Å
52I87.5Confident86.8Confident107 Ų107106.3 Ų106.355%0.54948%0.481SS..Hα-helixtrans-60.4-34.3-172.2-173.163.7000113.1E55 K56I52-E55 PolarHBondContact O-N 2.87Å; I52-K56 WeakPolarHBondContact O-CG 3.26Å; I52-K56 PolarHBondContact O-N 3.44Å
53E90.6Very high87.4Confident108 Ų108105.6 Ų105.651%0.50548%0.48SS..Hα-helixtrans-69.8-38.8175.5-55.4-45.5123.900112.9P51 E55 K56 T57P51-E53 VanDerWaalsContact C-N 3.28Å; P51-E53 PolarHBondContact O-N 3.36Å; E53-E55 VanDerWaalsContact C-N 3.33Å; E53-E55 PolarHBondContact O-N 2.71Å; E53-K56 WeakPolarHBondContact O-CB 3.44Å; E53-K56 PolarHBondContact O-N 2.73Å; E53-K56 IonicContact OE1-NZ 2.73Å; E53-K56 PolarHBondContact OE1-NZ 2.71Å; E53-K56 WeakPolarHBondContact OE2-CD 3.32Å; E53-K56 IonicContact OE2-NZ 3.45Å; E53-K56 PolarHBondContact OE2-NZ 3.16Å; E53-T57 PolarHBondContact O-N 2.7Å; E53-T57 PolarHBondContact O-OG1 3.11Å; E53-T57 VanDerWaalsContact O-OG1 3.09Å
54E91.9Very high87.9Confident64 Ų64102.6 Ų102.630%0.29947%0.473SS..Hα-helixtrans-67.9-37.2175.4-161.3-171.512500110.9R41 M50 P51 T57 I58R41-E54 IonicContact CZ-OE1 2.71Å; R41-E54 IonicContact CZ-OE2 3.16Å; R41-E54 IonicContact NH1-OE1 3.97Å; R41-E54 PolarHBondContact NH1-OE1 3.16Å; R41-E54 IonicContact NH1-OE2 2.87Å; R41-E54 PolarHBondContact NH1-OE2 3.2Å; R41-E54 IonicContact NH2-OE2 2.61Å; R41-E54 PolarHBondContact NH2-OE2 3.08Å; M50-E54 HydrophobicContact CG-CB 4.18Å; P51-E54 PolarHBondContact O-N 3.46Å; P51-E54 VanDerWaalsContact O-N 3.08Å; E54-T57 PolarHBondContact O-N 2.76Å; E54-I58 HydrophobicContact CG-CD1 4.09Å; E54-I58 WeakPolarHBondContact O-CB 3.37Å; E54-I58 WeakPolarHBondContact O-CD1 3.32Å; E54-I58 VanDerWaalsContact O-CG1 3.25Å; E54-I58 WeakPolarHBondContact O-CG1 3.36Å; E54-I58 PolarHBondContact O-N 2.85Å
55E91.5Very high88.6Confident46 Ų4698.4 Ų98.422%0.21545%0.454CS..Hα-helixtrans-62.4-44.2171.4169.4154.7-172.600112.1L34 K38 M50 P51 I52 E53 I58 K59L34-E55 HydrophobicContact CD1-CG 4.21Å; L34-E55 HydrophobicContact CD2-CG 4.3Å; K38-E55 VanDerWaalsContact CE-OE1 3.23Å; K38-E55 WeakPolarHBondContact CE-OE1 3.2Å; K38-E55 WeakPolarHBondContact CE-OE2 3.28Å; K38-E55 IonicContact NZ-OE1 3.06Å; K38-E55 PolarHBondContact NZ-OE1 2.96Å; K38-E55 IonicContact NZ-OE2 3.3Å; K38-E55 PolarHBondContact NZ-OE2 3.48Å; M50-E55 HydrophobicContact CG-CB 4.03Å; M50-E55 HydrophobicContact SD-CB 3.94Å; P51-E55 PolarHBondContact O-N 3.01Å; I52-E55 PolarHBondContact O-N 2.87Å; E53-E55 VanDerWaalsContact C-N 3.33Å; E53-E55 PolarHBondContact O-N 2.71Å; E55-I58 PolarHBondContact O-N 3.45Å; E55-K59 VanDerWaalsContact O-CB 3.23Å; E55-K59 WeakPolarHBondContact O-CB 3.48Å; E55-K59 PolarHBondContact O-N 3.5Å
56K93Very high89.5Confident109 Ų10998.5 Ų98.547%0.47446%0.458SS..Hα-helixtrans-57.9-53.1173.1-75.4163.2172.5176.50111.2I52 E53 I58 K59 E60I52-K56 WeakPolarHBondContact O-CG 3.26Å; I52-K56 PolarHBondContact O-N 3.44Å; E53-K56 WeakPolarHBondContact O-CB 3.44Å; E53-K56 PolarHBondContact O-N 2.73Å; E53-K56 IonicContact OE1-NZ 2.73Å; E53-K56 PolarHBondContact OE1-NZ 2.71Å; E53-K56 WeakPolarHBondContact OE2-CD 3.32Å; E53-K56 IonicContact OE2-NZ 3.45Å; E53-K56 PolarHBondContact OE2-NZ 3.16Å; K56-I58 VanDerWaalsContact C-N 3.32Å; K56-I58 PolarHBondContact O-N 3.47Å; K56-K59 PolarHBondContact O-N 3.39Å; K56-K59 VanDerWaalsContact O-N 3.16Å; K56-E60 WeakPolarHBondContact O-CB 3.47Å; K56-E60 PolarHBondContact O-N 2.85Å
57T95.9Very high90.4Very high62 Ų6292.8 Ų92.838%0.3844%0.439SS..Hα-helixtrans-60.9-37.4-179.4-56.80000112.7E53 E54 K61E53-T57 PolarHBondContact O-N 2.7Å; E53-T57 PolarHBondContact O-OG1 3.11Å; E53-T57 VanDerWaalsContact O-OG1 3.09Å; E54-T57 PolarHBondContact O-N 2.76Å; T57-K61 HydrophobicContact CG2-CD 4.26Å; T57-K61 VanDerWaalsContact O-CG 3.29Å; T57-K61 WeakPolarHBondContact O-CG 3.4Å; T57-K61 PolarHBondContact O-N 3.39Å; T57-K61 VanDerWaalsContact O-N 3.15Å
58I94.8Very high91.6Very high39 Ų3993 Ų9320%0.244%0.44CS..Hα-helixtrans-70.9-42.8175.7-69165.9000110.6L34 A37 M50 E54 E55 K56 E60 K61 L62L34-I58 HydrophobicContact CD1-CB 4.18Å; L34-I58 HydrophobicContact CD1-CG2 3.73Å; A37-I58 HydrophobicContact CB-CD1 4.32Å; A37-I58 HydrophobicContact CB-CG2 4.05Å; M50-I58 HydrophobicContact CE-CD1 3.54Å; M50-I58 HydrophobicContact SD-CD1 3.88Å; E54-I58 HydrophobicContact CG-CD1 4.09Å; E54-I58 WeakPolarHBondContact O-CB 3.37Å; E54-I58 WeakPolarHBondContact O-CD1 3.32Å; E54-I58 VanDerWaalsContact O-CG1 3.25Å; E54-I58 WeakPolarHBondContact O-CG1 3.36Å; E54-I58 PolarHBondContact O-N 2.85Å; E55-I58 PolarHBondContact O-N 3.45Å; K56-I58 VanDerWaalsContact C-N 3.32Å; K56-I58 PolarHBondContact O-N 3.47Å; I58-E60 PolarHBondContact O-N 3.12Å; I58-K61 PolarHBondContact O-N 3.34Å; I58-L62 HydrophobicContact CG2-CD1 3.91Å; I58-L62 VanDerWaalsContact O-CG 3.29Å; I58-L62 WeakPolarHBondContact O-CG 3.47Å; I58-L62 PolarHBondContact O-N 2.88Å
59K94.1Very high92.8Very high82 Ų8284.6 Ų84.636%0.35741%0.414SS..Hα-helixtrans-60.7-43.5176.8-176.6179.3177179.20111.7V30 L34 E55 K56 L62 L63V30-K59 HydrophobicContact CG1-CG 3.96Å; L34-K59 HydrophobicContact CD2-CB 4.42Å; E55-K59 VanDerWaalsContact O-CB 3.23Å; E55-K59 WeakPolarHBondContact O-CB 3.48Å; E55-K59 PolarHBondContact O-N 3.5Å; K56-K59 PolarHBondContact O-N 3.39Å; K56-K59 VanDerWaalsContact O-N 3.16Å; K59-L62 PolarHBondContact O-N 3.45Å; K59-L63 HydrophobicContact CG-CD1 4.07Å; K59-L63 WeakPolarHBondContact O-CG 3.48Å; K59-L63 PolarHBondContact O-N 3.15Å
60E95.4Very high93.5Very high113 Ų11376.6 Ų76.653%0.52838%0.38SS..Hα-helixtrans-61.6-48.1176.3-177-179.6-164.700112K56 I58 L62 L63 N64K56-E60 WeakPolarHBondContact O-CB 3.47Å; K56-E60 PolarHBondContact O-N 2.85Å; I58-E60 PolarHBondContact O-N 3.12Å; E60-L62 VanDerWaalsContact C-N 3.25Å; E60-L62 PolarHBondContact O-N 3.18Å; E60-L63 WeakPolarHBondContact O-CB 3.38Å; E60-L63 PolarHBondContact O-N 3.47Å; E60-L63 VanDerWaalsContact O-N 3.11Å; E60-N64 PolarHBondContact O-N 2.9Å
61K96.9Very high94.1Very high146 Ų14676.3 Ų76.364%0.63538%0.378SS*.Hα-helixtrans-59.5-34.8175.4-73.4171.4-178.5177.40112.8T57 I58 E65T57-K61 HydrophobicContact CG2-CD 4.26Å; T57-K61 VanDerWaalsContact O-CG 3.29Å; T57-K61 WeakPolarHBondContact O-CG 3.4Å; T57-K61 PolarHBondContact O-N 3.39Å; T57-K61 VanDerWaalsContact O-N 3.15Å; I58-K61 PolarHBondContact O-N 3.34Å; K61-E65 PolarHBondContact O-N 3.09Å
62L96.1Very high94.4Very high23 Ų2380.5 Ų80.512%0.1239%0.385CS..Hα-helixtrans-78-27.9176.1-69.3170.4000113.5Y29 V30 N33 L34 I58 K59 E60 E65Y29-L62 HydrophobicContact CE1-CD2 3.93Å; V30-L62 HydrophobicContact CB-CB 4.41Å; V30-L62 HydrophobicContact CG1-CB 4Å; V30-L62 HydrophobicContact CG2-CB 4.29Å; N33-L62 HydrophobicContact CB-CD1 3.71Å; N33-L62 HydrophobicContact CB-CD2 3.58Å; N33-L62 HydrophobicContact CB-CG 4.3Å; L34-L62 HydrophobicContact CB-CD1 4.03Å; I58-L62 HydrophobicContact CG2-CD1 3.91Å; I58-L62 VanDerWaalsContact O-CG 3.29Å; I58-L62 WeakPolarHBondContact O-CG 3.47Å; I58-L62 PolarHBondContact O-N 2.88Å; K59-L62 PolarHBondContact O-N 3.45Å; E60-L62 VanDerWaalsContact C-N 3.25Å; E60-L62 PolarHBondContact O-N 3.18Å; L62-E65 WeakPolarHBondContact O-CB 3.29Å
63L94.8Very high94.8Very high87 Ų8776.8 Ų76.846%0.45536%0.364SS..Hα-helixtrans-70-41.8170.7-76.3163.2000110.9V30 K59 E60 E65 K70V30-L63 HydrophobicContact CG1-CG 4.45Å; V30-L63 HydrophobicContact CG2-CD2 3.96Å; V30-L63 HydrophobicContact CG2-CG 4.19Å; K59-L63 HydrophobicContact CG-CD1 4.07Å; K59-L63 WeakPolarHBondContact O-CG 3.48Å; K59-L63 PolarHBondContact O-N 3.15Å; E60-L63 WeakPolarHBondContact O-CB 3.38Å; E60-L63 PolarHBondContact O-N 3.47Å; E60-L63 VanDerWaalsContact O-N 3.11Å; L63-E65 VanDerWaalsContact C-N 3.27Å; L63-E65 PolarHBondContact O-N 3.11Å; L63-K70 PolarHBondContact O-NZ 3.3Å
64N96.3Very high95.1Very high125 Ų12572 Ų7267%0.66834%0.343SS*.SBendtrans-83.85.9179.1-64.6-23.2000114E60E60-N64 PolarHBondContact O-N 2.9Å
65E96.8Very high95.4Very high64 Ų6469.9 Ų69.930%0.29934%0.336SS..SBendtrans-62.8147.9172.7178.363.1-82.600111.4Y29 K61 L62 L63 V69 K70Y29-E65 HydrophobicContact CE1-CB 4.02Å; Y29-E65 HydrophobicContact CE1-CG 3.82Å; K61-E65 PolarHBondContact O-N 3.09Å; L62-E65 WeakPolarHBondContact O-CB 3.29Å; L63-E65 VanDerWaalsContact C-N 3.27Å; L63-E65 PolarHBondContact O-N 3.11Å; E65-V69 HydrophobicContact CG-CB 3.99Å; E65-V69 HydrophobicContact CG-CG1 3.94Å; E65-K70 HydrophobicContact CG-CG 4.39Å; E65-K70 WeakPolarHBondContact O-CE 3.36Å
66K96.1Very high95.6Very high140 Ų14076.4 Ų76.461%0.60936%0.358SS*.  trans-62.5136.5-175.7-71.8-168.6176.5-171.80112.7E68 V69 K70K66-E68 VanDerWaalsContact C-N 3.26Å; K66-E68 WeakPolarHBondContact CB-OE2 3.49Å; K66-E68 PolarHBondContact O-N 3.22Å; K66-V69 HydrophobicContact CB-CG2 4.03Å; K66-V69 WeakPolarHBondContact O-CB 3.5Å; K66-V69 PolarHBondContact O-N 2.93Å; K66-K70 PolarHBondContact O-N 3.13Å
67P94.7Very high95.8Very high63 Ų6371.3 Ų71.341%0.40934%0.336SS..Hα-helixtrans-61.7-32.5-175.325-33.9000112.8F8 V69 K70 Q71F8-P67 HydrophobicContact CE2-CB 4.31Å; F8-P67 HydrophobicContact CE2-CG 4.04Å; F8-P67 HydrophobicContact CZ-CG 4.49Å; P67-V69 VanDerWaalsContact C-N 3.27Å; P67-V69 PolarHBondContact O-N 2.67Å; P67-K70 PolarHBondContact O-N 2.84Å; P67-Q71 VanDerWaalsContact O-CB 3.3Å; P67-Q71 WeakPolarHBondContact O-CB 3.18Å; P67-Q71 PolarHBondContact O-N 2.77Å
68E95.1Very high95.9Very high70 Ų7068.4 Ų68.433%0.32732%0.318SS..Hα-helixtrans-64.7-32175.7-50.379.417900111.7F8 K66 R72F8-E68 HydrophobicContact CD1-CG 4.43Å; F8-E68 HydrophobicContact CD2-CG 3.84Å; F8-E68 HydrophobicContact CE1-CG 4.32Å; F8-E68 HydrophobicContact CE2-CG 3.73Å; F8-E68 HydrophobicContact CG-CG 4.2Å; F8-E68 HydrophobicContact CZ-CG 3.98Å; F8-E68 WeakPolarHBondContact CZ-OE1 3.19Å; K66-E68 VanDerWaalsContact C-N 3.26Å; K66-E68 WeakPolarHBondContact CB-OE2 3.49Å; K66-E68 PolarHBondContact O-N 3.22Å; E68-R72 WeakPolarHBondContact O-CB 3.45Å; E68-R72 PolarHBondContact O-N 3.01Å
69V95.4Very high96Very high54 Ų5467.8 Ų67.833%0.32732%0.322SS..Hα-helixtrans-72.5-45.9176.21780000109.9Y29 E65 K66 P67 R72 W73Y29-V69 HydrophobicContact CE2-CG1 4.48Å; E65-V69 HydrophobicContact CG-CB 3.99Å; E65-V69 HydrophobicContact CG-CG1 3.94Å; K66-V69 HydrophobicContact CB-CG2 4.03Å; K66-V69 WeakPolarHBondContact O-CB 3.5Å; K66-V69 PolarHBondContact O-N 2.93Å; P67-V69 VanDerWaalsContact C-N 3.27Å; P67-V69 PolarHBondContact O-N 2.67Å; V69-R72 PolarHBondContact O-N 3.44Å; V69-W73 WeakPolarHBondContact O-CB 3.17Å; V69-W73 PolarHBondContact O-N 3.29Å
70K95.4Very high96Very high18 Ų1866.9 Ų66.98%0.07832%0.318CS..Hα-helixtrans-60.7-45.9175-56.2-172.4-166.2171.20111.4E26 Y29 L63 E65 K66 P67 W73 A74E26-K70 HydrophobicContact CG-CD 3.97Å; E26-K70 WeakPolarHBondContact OE1-CD 3.18Å; E26-K70 IonicContact OE1-NZ 2.7Å; E26-K70 PolarHBondContact OE1-NZ 2.89Å; Y29-K70 HydrophobicContact CD1-CD 4.18Å; Y29-K70 HydrophobicContact CD1-CG 3.82Å; Y29-K70 HydrophobicContact CD2-CB 4.28Å; Y29-K70 HydrophobicContact CD2-CG 4.19Å; Y29-K70 HydrophobicContact CE1-CG 4.18Å; Y29-K70 HydrophobicContact CG-CB 4.23Å; Y29-K70 HydrophobicContact CG-CD 4.39Å; Y29-K70 HydrophobicContact CG-CG 3.85Å; L63-K70 PolarHBondContact O-NZ 3.3Å; E65-K70 HydrophobicContact CG-CG 4.39Å; E65-K70 WeakPolarHBondContact O-CE 3.36Å; K66-K70 PolarHBondContact O-N 3.13Å; P67-K70 PolarHBondContact O-N 2.84Å; K70-W73 PolarHBondContact O-N 2.88Å; K70-A74 WeakPolarHBondContact O-CB 3.18Å; K70-A74 PolarHBondContact O-N 2.75Å
71Q95.2Very high96.1Very high17 Ų1761.5 Ų61.58%0.07929%0.292CS..Hα-helixtrans-65-42.1177.7-168.5-169.32.100112Y7 F8 L10 L21 P67 W73 A74 S75Y7-Q71 HydrophobicContact CD1-CG 4.29Å; F8-Q71 PolarHBondContact O-NE2 3.24Å; L10-Q71 HydrophobicContact CD1-CG 4.25Å; L21-Q71 HydrophobicContact CD1-CG 4.34Å; L21-Q71 HydrophobicContact CD2-CG 3.7Å; L21-Q71 HydrophobicContact CG-CG 4.22Å; P67-Q71 VanDerWaalsContact O-CB 3.3Å; P67-Q71 WeakPolarHBondContact O-CB 3.18Å; P67-Q71 PolarHBondContact O-N 2.77Å; Q71-W73 VanDerWaalsContact C-N 3.34Å; Q71-W73 PolarHBondContact O-N 3.11Å; Q71-A74 PolarHBondContact O-N 3.07Å; Q71-S75 VanDerWaalsContact O-CB 3.3Å; Q71-S75 WeakPolarHBondContact O-CB 3.3Å; Q71-S75 PolarHBondContact O-N 3.25Å
72R95.1Very high96.2Very high153 Ų15357.8 Ų57.858%0.57727%0.274SS*.Hα-helixtrans-64.9-36.9176.2-173.8-177.2-59.6-178.71.2111.9E68 V69 R76E68-R72 WeakPolarHBondContact O-CB 3.45Å; E68-R72 PolarHBondContact O-N 3.01Å; V69-R72 PolarHBondContact O-N 3.44Å; R72-R76 WeakPolarHBondContact O-CB 3.29Å; R72-R76 WeakPolarHBondContact O-CD 3.27Å; R72-R76 WeakPolarHBondContact O-CG 3.29Å; R72-R76 PolarHBondContact O-N 2.91Å
73W96.5Very high96.2Very high29 Ų2963.8 Ų63.811%0.1130%0.3CS..Hα-helixtrans-63-52.7170.2165.378.3000111.4V24 A28 Y29 F32 V69 K70 Q71 S75 R76 L77 C121 L138V24-W73 HydrophobicContact CG1-CZ3 4.27Å; A28-W73 HydrophobicContact CB-CH2 3.85Å; A28-W73 HydrophobicContact CB-CZ3 4.38Å; Y29-W73 HydrophobicContact CD2-CB 3.88Å; Y29-W73 AromaticContact CD2-CD2 3.7Å; Y29-W73 HydrophobicContact CD2-CD2 3.7Å; Y29-W73 AromaticContact CD2-CE3 3.68Å; Y29-W73 HydrophobicContact CD2-CE3 3.68Å; Y29-W73 AromaticContact CD2-CG 3.78Å; Y29-W73 HydrophobicContact CD2-CG 3.78Å; Y29-W73 HydrophobicContact CD2-CZ3 4.49Å; Y29-W73 HydrophobicContact CE2-CB 3.94Å; Y29-W73 HydrophobicContact CE2-CD2 4.49Å; Y29-W73 HydrophobicContact CE2-CG 4.11Å; Y29-W73 HydrophobicContact CG-CE3 4.26Å; F32-W73 AromaticContact CD2-CH2 3.9Å; F32-W73 HydrophobicContact CD2-CH2 3.9Å; F32-W73 AromaticContact CD2-CZ2 3.55Å; F32-W73 HydrophobicContact CD2-CZ2 3.55Å; F32-W73 HydrophobicContact CE2-CH2 4.36Å; F32-W73 HydrophobicContact CE2-CZ2 4.19Å; F32-W73 HydrophobicContact CG-CZ2 4.42Å; V69-W73 WeakPolarHBondContact O-CB 3.17Å; V69-W73 PolarHBondContact O-N 3.29Å; K70-W73 PolarHBondContact O-N 2.88Å; Q71-W73 VanDerWaalsContact C-N 3.34Å; Q71-W73 PolarHBondContact O-N 3.11Å; W73-S75 PolarHBondContact O-N 3.14Å; W73-R76 PolarHBondContact O-N 3.32Å; W73-R76 VanDerWaalsContact O-N 3.16Å; W73-L77 HydrophobicContact CH2-CD2 4.01Å; W73-L77 HydrophobicContact CZ2-CD2 3.36Å; W73-L77 PolarHBondContact O-N 3.43Å; W73-C121 PolarHBondContact NE1-O 3.38Å; W73-L138 HydrophobicContact CH2-CD2 3.72Å; W73-L138 HydrophobicContact CZ2-CD2 4.43Å; W73-L138 HydrophobicContact CZ3-CD2 4.45Å
74A97.3Very high96.3Very high7 Ų760.8 Ų60.86%0.05828%0.284CS..Hα-helixtrans-59.6-45.2-177.700000111.8L21 V24 K70 Q71 R76 L77 L78L21-A74 HydrophobicContact CD1-CB 3.77Å; V24-A74 HydrophobicContact CG1-CB 4.21Å; K70-A74 WeakPolarHBondContact O-CB 3.18Å; K70-A74 PolarHBondContact O-N 2.75Å; Q71-A74 PolarHBondContact O-N 3.07Å; A74-R76 PolarHBondContact O-N 2.95Å; A74-L77 PolarHBondContact O-N 3.3Å; A74-L78 WeakPolarHBondContact O-CB 3.32Å; A74-L78 WeakPolarHBondContact O-CG 3.33Å; A74-L78 PolarHBondContact O-N 2.85Å
75S96.7Very high96.3Very high20 Ų2055 Ų5514%0.1425%0.253CS..Hα-helixtrans-59-44.5175.2176.90000112.4Q71 W73 L77 G79Q71-S75 VanDerWaalsContact O-CB 3.3Å; Q71-S75 WeakPolarHBondContact O-CB 3.3Å; Q71-S75 PolarHBondContact O-N 3.25Å; W73-S75 PolarHBondContact O-N 3.14Å; S75-L77 VanDerWaalsContact C-N 3.34Å; S75-L77 PolarHBondContact O-N 2.92Å; S75-G79 PolarHBondContact O-N 2.93Å
76R95.6Very high96.4Very high183 Ų18353.8 Ų53.869%0.69125%0.247SC*.Hα-helixtrans-67.1-32.2176-70.2172.786.9175.68.7112.7R72 W73 A74 K80R72-R76 WeakPolarHBondContact O-CB 3.29Å; R72-R76 WeakPolarHBondContact O-CD 3.27Å; R72-R76 WeakPolarHBondContact O-CG 3.29Å; R72-R76 PolarHBondContact O-N 2.91Å; W73-R76 PolarHBondContact O-N 3.32Å; W73-R76 VanDerWaalsContact O-N 3.16Å; A74-R76 PolarHBondContact O-N 2.95Å; R76-K80 PolarHBondContact O-N 3.4Å
77L97.1Very high96.5Very high2 Ų251 Ų511%0.0124%0.244CC..Hα-helixtrans-75.9-45.1176.9-175.852.7000112W73 A74 S75 G79 K80 L81 I119 C121 L138W73-L77 HydrophobicContact CH2-CD2 4.01Å; W73-L77 HydrophobicContact CZ2-CD2 3.36Å; W73-L77 PolarHBondContact O-N 3.43Å; A74-L77 PolarHBondContact O-N 3.3Å; S75-L77 VanDerWaalsContact C-N 3.34Å; S75-L77 PolarHBondContact O-N 2.92Å; L77-G79 VanDerWaalsContact C-N 3.26Å; L77-G79 PolarHBondContact O-N 2.89Å; L77-K80 WeakPolarHBondContact O-CB 3.24Å; L77-K80 PolarHBondContact O-N 3.15Å; L77-K80 VanDerWaalsContact O-N 3.08Å; L77-L81 WeakPolarHBondContact O-CB 3.23Å; L77-L81 PolarHBondContact O-N 3Å; L77-I119 HydrophobicContact CD1-CD1 3.81Å; L77-I119 HydrophobicContact CD1-CG1 4.35Å; L77-C121 HydrophobicContact CD2-CB 4.42Å; L77-L138 HydrophobicContact CD2-CD1 4.15Å; L77-L138 HydrophobicContact CD2-CD2 3.94Å; L77-L138 HydrophobicContact CG-CD1 4.41Å
78L97.9Very high96.6Very high1 Ų153.5 Ų53.51%0.00525%0.254CS..Hα-helixtrans-59.5-36.9171.3-70.3173000111.8V17 L20 L21 V24 A74 K80 L81 R82 F139V17-L78 HydrophobicContact CB-CB 4.33Å; V17-L78 HydrophobicContact CG1-CB 3.9Å; V17-L78 HydrophobicContact CG1-CD1 4.15Å; V17-L78 HydrophobicContact CG2-CB 4.04Å; L20-L78 HydrophobicContact CB-CD1 3.94Å; L20-L78 HydrophobicContact CB-CD2 3.96Å; L20-L78 HydrophobicContact CD1-CD2 4.17Å; L21-L78 HydrophobicContact CB-CD1 4.42Å; L21-L78 HydrophobicContact CD1-CD1 3.93Å; V24-L78 HydrophobicContact CG2-CD1 3.85Å; V24-L78 HydrophobicContact CG2-CD2 4.01Å; V24-L78 HydrophobicContact CG2-CG 4.11Å; A74-L78 WeakPolarHBondContact O-CB 3.32Å; A74-L78 WeakPolarHBondContact O-CG 3.33Å; A74-L78 PolarHBondContact O-N 2.85Å; L78-K80 VanDerWaalsContact C-N 3.32Å; L78-K80 PolarHBondContact O-N 2.82Å; L78-L81 HydrophobicContact CD2-CD2 4.13Å; L78-L81 PolarHBondContact O-N 2.88Å; L78-R82 WeakPolarHBondContact O-CB 3.49Å; L78-R82 PolarHBondContact O-N 3.35Å; L78-F139 HydrophobicContact CD2-CZ 3.88Å
79G96.6Very high96.7Very high26 Ų2650.6 Ų50.627%0.26824%0.241SC..Hα-helixtrans-65.6-29.117400000114.3S75 L77S75-G79 PolarHBondContact O-N 2.93Å; L77-G79 VanDerWaalsContact C-N 3.26Å; L77-G79 PolarHBondContact O-N 2.89Å
80K95.7Very high96.8Very high63 Ų6350.2 Ų50.227%0.27423%0.234SC..Hα-helixtrans-74.3-50.9167.6-73.1-177.3-77.9-1780110.4R76 L77 L78 R82 K83 D84 I119 D120R76-K80 PolarHBondContact O-N 3.4Å; L77-K80 WeakPolarHBondContact O-CB 3.24Å; L77-K80 PolarHBondContact O-N 3.15Å; L77-K80 VanDerWaalsContact O-N 3.08Å; L78-K80 VanDerWaalsContact C-N 3.32Å; L78-K80 PolarHBondContact O-N 2.82Å; K80-R82 VanDerWaalsContact C-N 3.27Å; K80-R82 PolarHBondContact O-N 3.48Å; K80-K83 WeakPolarHBondContact O-CA 3.35Å; K80-K83 VanDerWaalsContact O-CB 3.31Å; K80-K83 WeakPolarHBondContact O-CB 3.43Å; K80-K83 PolarHBondContact O-N 3.11Å; K80-D84 PolarHBondContact O-N 2.72Å; K80-I119 HydrophobicContact CB-CD1 3.85Å; K80-I119 HydrophobicContact CB-CG1 4.4Å; K80-D120 WeakPolarHBondContact CE-O 3.47Å; K80-D120 PolarHBondContact NZ-O 2.87Å; K80-D120 IonicContact NZ-OD2 3.17Å; K80-D120 PolarHBondContact NZ-OD2 3.39Å; K80-D120 VanDerWaalsContact NZ-OD2 3.1Å
81L97.3Very high96.9Very high0 Ų054.8 Ų54.80%026%0.259CS..Hα-helixtrans-53.5-39.8179.8-168.568.2000113.2L77 L78 K83 D84 I85 F93 I119 L131 M135 F139L77-L81 WeakPolarHBondContact O-CB 3.23Å; L77-L81 PolarHBondContact O-N 3Å; L78-L81 HydrophobicContact CD2-CD2 4.13Å; L78-L81 PolarHBondContact O-N 2.88Å; L81-K83 PolarHBondContact O-N 3.06Å; L81-D84 PolarHBondContact O-N 3.05Å; L81-D84 VanDerWaalsContact O-N 3.07Å; L81-I85 HydrophobicContact CG-CD1 4.16Å; L81-I85 WeakPolarHBondContact O-CG1 3.24Å; L81-I85 PolarHBondContact O-N 3.44Å; L81-F93 HydrophobicContact CD2-CE1 4.2Å; L81-F93 HydrophobicContact CD2-CZ 4.37Å; L81-I119 HydrophobicContact CB-CD1 4.49Å; L81-I119 HydrophobicContact CD1-CD1 4.46Å; L81-L131 HydrophobicContact CD1-CD2 3.8Å; L81-M135 HydrophobicContact CD1-CE 3.83Å; L81-M135 HydrophobicContact CD1-SD 4.04Å; L81-M135 HydrophobicContact CD2-CE 4Å; L81-M135 HydrophobicContact CD2-SD 3.77Å; L81-M135 HydrophobicContact CG-CE 4.15Å; L81-M135 HydrophobicContact CG-SD 4.41Å; L81-F139 HydrophobicContact CD2-CE2 4.19Å; L81-F139 HydrophobicContact CD2-CZ 4.49Å
82R97.7Very high97.1Very high68 Ų6855.8 Ų55.826%0.25727%0.265SS..Hα-helixtrans-53.8-37.4172.5-175.6-178.6166.9-88.23.8112.8H14 F16 L78 K80 R90H14-R82 VanDerWaalsContact CD2-CZ 3.49Å; H14-R82 PolarHBondContact CD2-NE 3.05Å; H14-R82 PolarHBondContact CD2-NH2 3.47Å; H14-R82 PolarHBondContact CE1-NE 3.15Å; H14-R82 PolarHBondContact ND1-NE 3.39Å; H14-R82 VanDerWaalsContact NE2-CZ 3.34Å; H14-R82 PolarHBondContact NE2-NE 2.82Å; H14-R82 VanDerWaalsContact NE2-NE 3.16Å; H14-R82 PolarHBondContact NE2-NH2 2.9Å; F16-R82 HydrophobicContact CD1-CB 3.63Å; F16-R82 HydrophobicContact CD1-CG 3.8Å; F16-R82 HydrophobicContact CE1-CB 3.55Å; F16-R82 HydrophobicContact CE1-CG 4.1Å; F16-R82 HydrophobicContact CG-CB 4.4Å; F16-R82 HydrophobicContact CG-CG 4.07Å; F16-R82 HydrophobicContact CZ-CB 4.24Å; L78-R82 WeakPolarHBondContact O-CB 3.49Å; L78-R82 PolarHBondContact O-N 3.35Å; K80-R82 VanDerWaalsContact C-N 3.27Å; K80-R82 PolarHBondContact O-N 3.48Å; R82-R90 VanDerWaalsContact O-CZ 3.25Å; R82-R90 PolarHBondContact O-NE 3.29Å; R82-R90 PolarHBondContact O-NH2 2.89Å
83K95.9Very high97.2Very high149 Ų14948.5 Ų48.565%0.64824%0.237SC*.Hα-helixtrans-78.2-28.5179.1-59.4-178.4-179.9-173.50112.1K80 L81 N109K80-K83 WeakPolarHBondContact O-CA 3.35Å; K80-K83 VanDerWaalsContact O-CB 3.31Å; K80-K83 WeakPolarHBondContact O-CB 3.43Å; K80-K83 PolarHBondContact O-N 3.11Å; L81-K83 PolarHBondContact O-N 3.06Å; K83-N109 PolarHBondContact O-ND2 3.47Å
84D97Very high97.3Very high25 Ų2548.1 Ų48.113%0.13424%0.238CC..Hα-helixtrans-82-18.2176.5-73.5-53.7000113.6K80 L81 S108 N109 R117 L131K80-D84 PolarHBondContact O-N 2.72Å; L81-D84 PolarHBondContact O-N 3.05Å; L81-D84 VanDerWaalsContact O-N 3.07Å; D84-S108 CarbonylContact O-C 3.51Å; D84-S108 VanDerWaalsContact O-CA 3.3Å; D84-S108 WeakPolarHBondContact O-CA 3.26Å; D84-N109 PolarHBondContact O-N 3.17Å; D84-N109 PolarHBondContact O-ND2 3.04Å; D84-R117 WeakPolarHBondContact OD1-CD 3.26Å; D84-L131 HydrophobicContact CB-CD1 3.98Å; D84-L131 HydrophobicContact CB-CD2 3.95Å
85I98.1Very high97.3Very high2 Ų250 Ų501%0.0125%0.247CC..BIsolated β-bridgetrans-87.9139.6171.9-63.2170.3000110.9F16 L81 C89 R90 F93 I106 N109 M135 V165F16-I85 HydrophobicContact CE2-CD1 4.49Å; F16-I85 HydrophobicContact CZ-CD1 3.97Å; L81-I85 HydrophobicContact CG-CD1 4.16Å; L81-I85 WeakPolarHBondContact O-CG1 3.24Å; L81-I85 PolarHBondContact O-N 3.44Å; I85-C89 HydrophobicContact CG2-CB 3.97Å; I85-R90 HydrophobicContact CG2-CG 4.03Å; I85-R90 PolarHBondContact O-NH2 2.8Å; I85-F93 HydrophobicContact CD1-CD1 3.58Å; I85-F93 HydrophobicContact CD1-CE1 3.74Å; I85-F93 HydrophobicContact CD1-CG 4.09Å; I85-F93 HydrophobicContact CD1-CZ 4.39Å; I85-I106 HydrophobicContact CD1-CG2 4.32Å; I85-I106 HydrophobicContact CG2-CG2 3.92Å; I85-N109 PolarHBondContact O-ND2 3Å; I85-M135 HydrophobicContact CD1-CE 3.84Å; I85-M135 HydrophobicContact CG1-CE 4.41Å; I85-V165 HydrophobicContact CG1-CG2 4.22Å
86Q98Very high97.3Very high39 Ų3949.3 Ų49.318%0.18224%0.242CC..  trans-61.8139.4176.1-63.3-175.41600111N88 C89 L107 S108 N109Q86-N88 VanDerWaalsContact C-N 3.35Å; Q86-N88 VanDerWaalsContact CB-OD1 3.27Å; Q86-N88 WeakPolarHBondContact CB-OD1 3.04Å; Q86-N88 PolarHBondContact O-N 2.96Å; Q86-C89 PolarHBondContact O-N 3.46Å; Q86-L107 VanDerWaalsContact CD-CB 3.49Å; Q86-L107 HydrophobicContact CG-CB 4.07Å; Q86-L107 WeakPolarHBondContact CG-O 2.96Å; Q86-L107 PolarHBondContact N-O 2.64Å; Q86-S108 PolarHBondContact NE2-O 3.39Å; Q86-N109 WeakPolarHBondContact CG-OD1 3.05Å
87P97.4Very high97.4Very high82 Ų8240.8 Ų40.853%0.53221%0.21SC..G310 helixtrans-54.7-43.4-170.6-27.435000115.4C89 R90P87-C89 VanDerWaalsContact C-N 3.32Å; P87-C89 PolarHBondContact O-N 3.08Å; P87-R90 WeakPolarHBondContact O-CB 3.28Å; P87-R90 PolarHBondContact O-N 2.6Å
88N97.5Very high97.3Very high116 Ų11641.8 Ų41.862%0.6222%0.217SC*.G310 helixtrans-63-30177.457-34.1000113.9Q86Q86-N88 VanDerWaalsContact C-N 3.35Å; Q86-N88 VanDerWaalsContact CB-OD1 3.27Å; Q86-N88 WeakPolarHBondContact CB-OD1 3.04Å; Q86-N88 PolarHBondContact O-N 2.96Å
89C97.8Very high97.2Very high9 Ų944.8 Ų44.86%0.06125%0.248CC..G310 helixtrans-83.6-8.5179.4-62.80000113.6I85 Q86 P87 D91 F93 I106 L107I85-C89 HydrophobicContact CG2-CB 3.97Å; Q86-C89 PolarHBondContact O-N 3.46Å; P87-C89 VanDerWaalsContact C-N 3.32Å; P87-C89 PolarHBondContact O-N 3.08Å; C89-D91 PolarHBondContact O-N 3.04Å; C89-F93 WeakPolarHBondContact O-CB 3.22Å; C89-F93 PolarHBondContact O-N 3.27Å; C89-I106 HydrophobicContact CB-CD1 4.31Å; C89-I106 HydrophobicContact CB-CG2 4.07Å; C89-L107 PolarHBondContact SG-N 2.72Å; C89-L107 VanDerWaalsContact SG-N 3.42Å
90R97.9Very high97.1Very high46 Ų4653 Ų5317%0.17427%0.271CS..Hα-helixtrans-64.6-44.6-169.6-72.1178.5-178.4136.911.4113.4F16 R82 I85 P87 F93 V94F16-R90 HydrophobicContact CD2-CB 3.96Å; F16-R90 HydrophobicContact CD2-CG 4.36Å; F16-R90 HydrophobicContact CE2-CB 4.01Å; F16-R90 HydrophobicContact CE2-CG 4.16Å; R82-R90 VanDerWaalsContact O-CZ 3.25Å; R82-R90 PolarHBondContact O-NE 3.29Å; R82-R90 PolarHBondContact O-NH2 2.89Å; I85-R90 HydrophobicContact CG2-CG 4.03Å; I85-R90 PolarHBondContact O-NH2 2.8Å; P87-R90 WeakPolarHBondContact O-CB 3.28Å; P87-R90 PolarHBondContact O-N 2.6Å; R90-F93 WeakPolarHBondContact O-CB 3.45Å; R90-F93 PolarHBondContact O-N 3.39Å; R90-V94 WeakPolarHBondContact O-CG2 3.49Å; R90-V94 PolarHBondContact O-N 3.16Å; R90-V94 VanDerWaalsContact O-N 3.14Å
91D97.7Very high97.1Very high113 Ų11354.2 Ų54.260%0.60428%0.276SS*.Hα-helixtrans-76.5-38-174.4-59.3-28000111C89 F93 V94 L95C89-D91 PolarHBondContact O-N 3.04Å; D91-F93 VanDerWaalsContact C-N 3.29Å; D91-F93 PolarHBondContact O-N 3.18Å; D91-V94 PolarHBondContact O-N 2.95Å; D91-L95 VanDerWaalsContact O-CG 3.29Å; D91-L95 WeakPolarHBondContact O-CG 3.15Å; D91-L95 PolarHBondContact O-N 3.24Å
92N97.8Very high97Very high38 Ų3859.7 Ų59.720%0.20331%0.312CS..Hα-helixtrans-66.9-28.8172.2-69-19.5000112.8L95 S96 K101 E104 I106N92-L95 PolarHBondContact O-N 3Å; N92-S96 WeakPolarHBondContact O-CB 3.4Å; N92-S96 PolarHBondContact O-N 3.02Å; N92-S96 PolarHBondContact O-OG 3.33Å; N92-K101 PolarHBondContact OD1-NZ 3.29Å; N92-E104 HydrophobicContact CB-CG 4.08Å; N92-E104 WeakPolarHBondContact CB-OE1 3.37Å; N92-E104 VanDerWaalsContact CG-OE1 3.32Å; N92-E104 VanDerWaalsContact CG-OE2 3.25Å; N92-E104 PolarHBondContact ND2-OE1 3.16Å; N92-E104 PolarHBondContact ND2-OE2 3.12Å; N92-E104 VanDerWaalsContact ND2-OE2 3.1Å; N92-I106 HydrophobicContact CB-CD1 4.01Å
93F98.2Very high96.9Very high0 Ų058.4 Ų58.40%032%0.316CS..Hα-helixtrans-64.5-46.2169.4179.8-122.3000111.6F16 L20 L81 I85 C89 R90 D91 L95 S96 V97 I106 M135 F139F16-F93 AromaticContact CE2-CD1 3.76Å; F16-F93 HydrophobicContact CE2-CD1 3.76Å; F16-F93 HydrophobicContact CE2-CE1 4.46Å; F16-F93 AromaticContact CZ-CD1 3.7Å; F16-F93 HydrophobicContact CZ-CD1 3.7Å; F16-F93 AromaticContact CZ-CE1 3.96Å; F16-F93 HydrophobicContact CZ-CE1 3.96Å; L20-F93 HydrophobicContact CD1-CD1 3.88Å; L20-F93 HydrophobicContact CD1-CE1 3.58Å; L20-F93 HydrophobicContact CD2-CD1 4.48Å; L20-F93 HydrophobicContact CD2-CE1 4.23Å; L81-F93 HydrophobicContact CD2-CE1 4.2Å; L81-F93 HydrophobicContact CD2-CZ 4.37Å; I85-F93 HydrophobicContact CD1-CD1 3.58Å; I85-F93 HydrophobicContact CD1-CE1 3.74Å; I85-F93 HydrophobicContact CD1-CG 4.09Å; I85-F93 HydrophobicContact CD1-CZ 4.39Å; C89-F93 WeakPolarHBondContact O-CB 3.22Å; C89-F93 PolarHBondContact O-N 3.27Å; R90-F93 WeakPolarHBondContact O-CB 3.45Å; R90-F93 PolarHBondContact O-N 3.39Å; D91-F93 VanDerWaalsContact C-N 3.29Å; D91-F93 PolarHBondContact O-N 3.18Å; F93-L95 VanDerWaalsContact C-N 3.33Å; F93-L95 PolarHBondContact O-N 3.46Å; F93-S96 PolarHBondContact O-N 2.63Å; F93-S96 PolarHBondContact O-OG 2.98Å; F93-S96 VanDerWaalsContact O-OG 3.13Å; F93-V97 HydrophobicContact CD2-CG2 3.88Å; F93-V97 HydrophobicContact CE1-CG2 4.5Å; F93-V97 HydrophobicContact CE2-CG2 3.51Å; F93-V97 HydrophobicContact CZ-CG2 3.86Å; F93-V97 WeakPolarHBondContact O-CB 3.32Å; F93-V97 WeakPolarHBondContact O-CG2 3.43Å; F93-V97 PolarHBondContact O-N 3.08Å; F93-I106 HydrophobicContact CB-CB 4.42Å; F93-I106 HydrophobicContact CB-CD1 3.97Å; F93-I106 HydrophobicContact CB-CG1 3.88Å; F93-I106 HydrophobicContact CB-CG2 3.69Å; F93-I106 HydrophobicContact CD2-CB 4.32Å; F93-I106 HydrophobicContact CD2-CG1 4Å; F93-I106 HydrophobicContact CD2-CG2 3.89Å; F93-I106 HydrophobicContact CG-CG1 4.39Å; F93-I106 HydrophobicContact CG-CG2 3.92Å; F93-M135 HydrophobicContact CD2-CE 4.48Å; F93-M135 HydrophobicContact CE1-CE 4.07Å; F93-M135 HydrophobicContact CE2-CE 3.65Å; F93-M135 HydrophobicContact CE2-SD 4.02Å; F93-M135 HydrophobicContact CZ-CE 3.41Å; F93-M135 VanDerWaalsContact CZ-CE 3.41Å; F93-M135 HydrophobicContact CZ-SD 3.58Å; F93-M135 VanDerWaalsContact CZ-SD 3.58Å; F93-F139 HydrophobicContact CE1-CE2 4.46Å; F93-F139 HydrophobicContact CE1-CZ 4.4Å; F93-F139 HydrophobicContact CZ-CD2 4.34Å; F93-F139 AromaticContact CZ-CE2 3.69Å; F93-F139 HydrophobicContact CZ-CE2 3.69Å; F93-F139 AromaticContact CZ-CZ 3.99Å; F93-F139 HydrophobicContact CZ-CZ 3.99Å
94V98.3Very high96.9Very high21 Ų2154.4 Ų54.413%0.12730%0.299CS..Hα-helixtrans-59.8-45.1173.6176.30000110.5F16 A19 L20 R90 D91 S96 V97 T98F16-V94 HydrophobicContact CD2-CG2 3.7Å; F16-V94 HydrophobicContact CE2-CG2 4.14Å; F16-V94 HydrophobicContact CG-CG2 4.37Å; A19-V94 HydrophobicContact CB-CG1 3.65Å; L20-V94 HydrophobicContact CD1-CG2 4.28Å; L20-V94 HydrophobicContact CD2-CG2 4.38Å; L20-V94 HydrophobicContact CG-CG2 4.13Å; R90-V94 WeakPolarHBondContact O-CG2 3.49Å; R90-V94 PolarHBondContact O-N 3.16Å; R90-V94 VanDerWaalsContact O-N 3.14Å; D91-V94 PolarHBondContact O-N 2.95Å; V94-S96 PolarHBondContact O-N 2.73Å; V94-V97 PolarHBondContact O-N 2.9Å; V94-T98 HydrophobicContact CG1-CG2 4.09Å; V94-T98 VanDerWaalsContact O-CB 3.29Å; V94-T98 WeakPolarHBondContact O-CB 3.24Å; V94-T98 WeakPolarHBondContact O-CG2 3.25Å; V94-T98 PolarHBondContact O-N 2.97Å; V94-T98 PolarHBondContact O-OG1 3.32Å
95L97.8Very high96.9Very high46 Ų4654.2 Ų54.224%0.24130%0.3CS..Hα-helixtrans-65.5-36.2-179.4-67.5170.4000113.2D91 N92 F93 T98 G99 R100 K101D91-L95 VanDerWaalsContact O-CG 3.29Å; D91-L95 WeakPolarHBondContact O-CG 3.15Å; D91-L95 PolarHBondContact O-N 3.24Å; N92-L95 PolarHBondContact O-N 3Å; F93-L95 VanDerWaalsContact C-N 3.33Å; F93-L95 PolarHBondContact O-N 3.46Å; L95-T98 WeakPolarHBondContact CA-OG1 3.44Å; L95-T98 PolarHBondContact O-OG1 2.91Å; L95-G99 PolarHBondContact O-N 3.14Å; L95-R100 HydrophobicContact CB-CB 4.42Å; L95-R100 HydrophobicContact CD2-CB 3.75Å; L95-R100 HydrophobicContact CD2-CG 4.48Å; L95-R100 WeakPolarHBondContact O-CA 3.37Å; L95-R100 PolarHBondContact O-N 3.44Å; L95-K101 HydrophobicContact CB-CB 4.04Å; L95-K101 HydrophobicContact CB-CD 4Å; L95-K101 HydrophobicContact CB-CG 3.98Å; L95-K101 HydrophobicContact CD1-CD 3.76Å; L95-K101 HydrophobicContact CD1-CG 4.25Å; L95-K101 PolarHBondContact O-N 3.1Å; L95-K101 VanDerWaalsContact O-N 3.09Å
96S96.7Very high96.9Very high6 Ų654.1 Ų54.14%0.04230%0.299CS..Hα-helixtrans-74.8-41.7175.653.40000112.9N92 F93 V94 T98 G99 N166N92-S96 WeakPolarHBondContact O-CB 3.4Å; N92-S96 PolarHBondContact O-N 3.02Å; N92-S96 PolarHBondContact O-OG 3.33Å; F93-S96 PolarHBondContact O-N 2.63Å; F93-S96 PolarHBondContact O-OG 2.98Å; F93-S96 VanDerWaalsContact O-OG 3.13Å; V94-S96 PolarHBondContact O-N 2.73Å; S96-T98 VanDerWaalsContact C-N 3.33Å; S96-T98 PolarHBondContact O-N 3.38Å; S96-G99 PolarHBondContact O-N 3Å; S96-G99 VanDerWaalsContact O-N 3.14Å; S96-N166 PolarHBondContact OG-ND2 3.45Å
97V97Very high96.9Very high4 Ų453.4 Ų53.42%0.02430%0.297CS..Hα-helixtrans-66.4-33174.9175.70000112.7L20 Y23 F93 V94 G99 F139 Y168L20-V97 HydrophobicContact CD2-CB 3.65Å; L20-V97 HydrophobicContact CD2-CG1 3.57Å; L20-V97 HydrophobicContact CD2-CG2 4.08Å; Y23-V97 HydrophobicContact CD1-CG1 4.17Å; Y23-V97 WeakPolarHBondContact CD1-O 3.47Å; Y23-V97 HydrophobicContact CD2-CG1 4.48Å; Y23-V97 WeakPolarHBondContact CE1-O 3.14Å; Y23-V97 HydrophobicContact CG-CG1 3.82Å; F93-V97 HydrophobicContact CD2-CG2 3.88Å; F93-V97 HydrophobicContact CE1-CG2 4.5Å; F93-V97 HydrophobicContact CE2-CG2 3.51Å; F93-V97 HydrophobicContact CZ-CG2 3.86Å; F93-V97 WeakPolarHBondContact O-CB 3.32Å; F93-V97 WeakPolarHBondContact O-CG2 3.43Å; F93-V97 PolarHBondContact O-N 3.08Å; V94-V97 PolarHBondContact O-N 2.9Å; V97-G99 VanDerWaalsContact C-N 3.26Å; V97-G99 PolarHBondContact O-N 3.1Å; V97-F139 HydrophobicContact CG1-CD1 3.65Å; V97-F139 HydrophobicContact CG1-CE1 3.79Å; V97-F139 HydrophobicContact CG1-CG 4.48Å; V97-F139 HydrophobicContact CG2-CD1 4.48Å; V97-Y168 HydrophobicContact CG2-CE2 4.38Å
98T96.1Very high96.9Very high23 Ų2349.5 Ų49.514%0.14127%0.271CS..THydrogen-bonded Turntrans-81.40.7174.457.70000113.9Y23 V94 L95 S96 R100Y23-T98 HydrophobicContact CD2-CG2 4.33Å; Y23-T98 HydrophobicContact CE2-CG2 3.63Å; V94-T98 HydrophobicContact CG1-CG2 4.09Å; V94-T98 VanDerWaalsContact O-CB 3.29Å; V94-T98 WeakPolarHBondContact O-CB 3.24Å; V94-T98 WeakPolarHBondContact O-CG2 3.25Å; V94-T98 PolarHBondContact O-N 2.97Å; V94-T98 PolarHBondContact O-OG1 3.32Å; L95-T98 WeakPolarHBondContact CA-OG1 3.44Å; L95-T98 PolarHBondContact O-OG1 2.91Å; S96-T98 VanDerWaalsContact C-N 3.33Å; S96-T98 PolarHBondContact O-N 3.38Å; T98-R100 PolarHBondContact O-N 2.86Å; T98-R100 WeakPolarHBondContact OG1-CD 3.23Å; T98-R100 WeakPolarHBondContact OG1-CG 3.03Å
99G94.6Very high96.9Very high65 Ų6546 Ų4667%0.6725%0.253SS*.THydrogen-bonded Turntrans66.514.7-177.500000114.9L95 S96 V97L95-G99 PolarHBondContact O-N 3.14Å; S96-G99 PolarHBondContact O-N 3Å; S96-G99 VanDerWaalsContact O-N 3.14Å; V97-G99 VanDerWaalsContact C-N 3.26Å; V97-G99 PolarHBondContact O-N 3.1Å
100R95.5Very high96.8Very high197 Ų19748 Ų4874%0.74327%0.265SS*.SBendtrans-84.4-13.8-179.7-66.1179.5177.6-165.8-0.4113.7L95 T98L95-R100 HydrophobicContact CB-CB 4.42Å; L95-R100 HydrophobicContact CD2-CB 3.75Å; L95-R100 HydrophobicContact CD2-CG 4.48Å; L95-R100 WeakPolarHBondContact O-CA 3.37Å; L95-R100 PolarHBondContact O-N 3.44Å; T98-R100 PolarHBondContact O-N 2.86Å; T98-R100 WeakPolarHBondContact OG1-CD 3.23Å; T98-R100 WeakPolarHBondContact OG1-CG 3.03Å
101K95.3Very high96.7Very high89 Ų8948.5 Ų48.539%0.38727%0.272SS..SBendtrans-140.7156.7170.1-80.9-173.3173.7-1780109.8N92 L95N92-K101 PolarHBondContact OD1-NZ 3.29Å; L95-K101 HydrophobicContact CB-CB 4.04Å; L95-K101 HydrophobicContact CB-CD 4Å; L95-K101 HydrophobicContact CB-CG 3.98Å; L95-K101 HydrophobicContact CD1-CD 3.76Å; L95-K101 HydrophobicContact CD1-CG 4.25Å; L95-K101 PolarHBondContact O-N 3.1Å; L95-K101 VanDerWaalsContact O-N 3.09Å
102P95.1Very high96.5Very high115 Ų11552.9 Ų52.975%0.74729%0.288SS*.  trans-54.7164.1162.5-2435000112.9E104P102-E104 PolarHBondContact O-N 3.09Å
103A94.5Very high96.3Very high41 Ų4159.3 Ų59.334%0.33931%0.314SS..  trans-78119.1-179.300000112.4Y168 H169A103-Y168 HydrophobicContact CB-CG 4.39Å; A103-H169 PolarHBondContact O-NE2 3.48Å
104E95.9Very high96.2Very high65 Ų6561.3 Ų61.330%0.30434%0.335SS..  trans-114.3170.7173.960.4169.2-101.700112.7N92 P102 I106 N166N92-E104 HydrophobicContact CB-CG 4.08Å; N92-E104 WeakPolarHBondContact CB-OE1 3.37Å; N92-E104 VanDerWaalsContact CG-OE1 3.32Å; N92-E104 VanDerWaalsContact CG-OE2 3.25Å; N92-E104 PolarHBondContact ND2-OE1 3.16Å; N92-E104 PolarHBondContact ND2-OE2 3.12Å; N92-E104 VanDerWaalsContact ND2-OE2 3.1Å; P102-E104 PolarHBondContact O-N 3.09Å; E104-I106 HydrophobicContact CG-CD1 4.05Å; E104-I106 PolarHBondContact O-N 3.28Å; E104-N166 PolarHBondContact O-ND2 3.21Å
105C98.1Very high96Very high21 Ų2166.6 Ų66.614%0.14236%0.356CS..  trans-67.8101.9-178.9-80.40000112.2L107 H160 H169C105-L107 HydrophobicContact CB-CD2 4.24Å; C105-H160 HydrophobicContact CB-CB 4.32Å; C105-H169 PolarHBondContact N-CE1 2.96Å
106I98.2Very high95.8Very high0 Ų065.3 Ų65.30%035%0.349CS..  trans-91.4108.5175.3-57.9-50000109.6I85 C89 N92 F93 E104 C164 V165 N166I85-I106 HydrophobicContact CD1-CG2 4.32Å; I85-I106 HydrophobicContact CG2-CG2 3.92Å; C89-I106 HydrophobicContact CB-CD1 4.31Å; C89-I106 HydrophobicContact CB-CG2 4.07Å; N92-I106 HydrophobicContact CB-CD1 4.01Å; F93-I106 HydrophobicContact CB-CB 4.42Å; F93-I106 HydrophobicContact CB-CD1 3.97Å; F93-I106 HydrophobicContact CB-CG1 3.88Å; F93-I106 HydrophobicContact CB-CG2 3.69Å; F93-I106 HydrophobicContact CD2-CB 4.32Å; F93-I106 HydrophobicContact CD2-CG1 4Å; F93-I106 HydrophobicContact CD2-CG2 3.89Å; F93-I106 HydrophobicContact CG-CG1 4.39Å; F93-I106 HydrophobicContact CG-CG2 3.92Å; E104-I106 HydrophobicContact CG-CD1 4.05Å; E104-I106 PolarHBondContact O-N 3.28Å; I106-C164 CarbonylContact O-C 3.57Å; I106-C164 WeakPolarHBondContact O-CA 3.37Å; I106-V165 HydrophobicContact CG2-CG2 4.09Å; I106-V165 VanDerWaalsContact O-CG2 3.31Å; I106-V165 WeakPolarHBondContact O-CG2 3.42Å; I106-V165 PolarHBondContact O-N 2.92Å; I106-N166 HydrophobicContact CB-CB 4.02Å; I106-N166 HydrophobicContact CG1-CB 3.91Å
107L98.1Very high95.7Very high25 Ų2569.9 Ų69.913%0.13137%0.366CS..BIsolated β-bridgetrans-86.4135.9-172.5-52.5-171.9000112.7Q86 C89 C105 H160Q86-L107 VanDerWaalsContact CD-CB 3.49Å; Q86-L107 HydrophobicContact CG-CB 4.07Å; Q86-L107 WeakPolarHBondContact CG-O 2.96Å; Q86-L107 PolarHBondContact N-O 2.64Å; C89-L107 PolarHBondContact SG-N 2.72Å; C89-L107 VanDerWaalsContact SG-N 3.42Å; C105-L107 HydrophobicContact CB-CD2 4.24Å; L107-H160 HydrophobicContact CD2-CB 3.38Å
108S97.8Very high95.6Very high0 Ų077 Ų770%039%0.392CS..BIsolated β-bridgetrans-81153.9165.154.20000111.7D84 Q86 L163D84-S108 CarbonylContact O-C 3.51Å; D84-S108 VanDerWaalsContact O-CA 3.3Å; D84-S108 WeakPolarHBondContact O-CA 3.26Å; Q86-S108 PolarHBondContact NE2-O 3.39Å; S108-L163 PolarHBondContact N-O 3.35Å; S108-L163 PolarHBondContact OG-O 2.92Å
109N96.8Very high95.5Very high43 Ų4376.2 Ų76.223%0.2339%0.387CS..PPolyproline II helixtrans-67.6124.1166.3-68.5-50.2000108K83 D84 I85 Q86 R117K83-N109 PolarHBondContact O-ND2 3.47Å; D84-N109 PolarHBondContact O-N 3.17Å; D84-N109 PolarHBondContact O-ND2 3.04Å; I85-N109 PolarHBondContact O-ND2 3Å; Q86-N109 WeakPolarHBondContact CG-OD1 3.05Å; N109-R117 WeakPolarHBondContact O-CD 3.28Å; N109-R117 VanDerWaalsContact O-CG 3.23Å; N109-R117 WeakPolarHBondContact O-CG 3.41Å; N109-R117 PolarHBondContact O-NE 2.73Å; N109-R117 VanDerWaalsContact O-NE 3.11Å
110P96.3Very high95.5Very high50 Ų5074.6 Ų74.633%0.32536%0.363SS..BIsolated β-bridgetrans-66.2156-179.426.3-34.1000112.2K115 R117 L163P110-K115 CarbonylContact C-O 3.54Å; P110-K115 WeakPolarHBondContact CA-O 3.47Å; P110-R117 VanDerWaalsContact O-CZ 3.23Å; P110-R117 PolarHBondContact O-NE 2.84Å; P110-R117 PolarHBondContact O-NH2 2.78Å; P110-L163 HydrophobicContact CB-CD1 4.25Å; P110-L163 HydrophobicContact CB-CD2 4.14Å
111D94.9Very high95.6Very high57 Ų5765.3 Ų65.331%0.30533%0.328SS..  trans-74-179.6165.280.5-5.3000111.5K113 G114 K115 R117D111-K113 PolarHBondContact O-N 2.84Å; D111-K113 VanDerWaalsContact OD1-C 3.29Å; D111-K113 VanDerWaalsContact OD1-CA 3.29Å; D111-K113 WeakPolarHBondContact OD1-CA 2.97Å; D111-K113 WeakPolarHBondContact OD1-CB 3.44Å; D111-K113 PolarHBondContact OD1-N 3.41Å; D111-G114 PolarHBondContact O-N 3.29Å; D111-G114 VanDerWaalsContact O-N 3.1Å; D111-G114 PolarHBondContact OD1-N 3.42Å; D111-G114 VanDerWaalsContact OD1-N 3.17Å; D111-K115 PolarHBondContact N-O 3.37Å; D111-K115 PolarHBondContact OD1-N 3.35Å; D111-R117 HydrophobicContact CB-CG 4.12Å
112Q93.3Very high95.5Very high204 Ų20463.5 Ų63.595%0.95332%0.322SS*.THydrogen-bonded Turntrans-62.4-7.7178.5-68.9173.7-2200114.3
113K94.5Very high94.8Very high173 Ų17359.4 Ų59.475%0.75230%0.301SS*.THydrogen-bonded Turntrans-11514.1179.9-58.3-173.6177.7-173.60112.1D111 K115D111-K113 PolarHBondContact O-N 2.84Å; D111-K113 VanDerWaalsContact OD1-C 3.29Å; D111-K113 VanDerWaalsContact OD1-CA 3.29Å; D111-K113 WeakPolarHBondContact OD1-CA 2.97Å; D111-K113 WeakPolarHBondContact OD1-CB 3.44Å; D111-K113 PolarHBondContact OD1-N 3.41Å; K113-K115 VanDerWaalsContact C-N 3.27Å; K113-K115 HydrophobicContact CB-CG 4.35Å; K113-K115 PolarHBondContact O-N 3.43Å
114G94.6Very high93.5Very high42 Ų4267.6 Ų67.643%0.43333%0.332SS..SBendtrans75.48.2-178.900000114.7D111D111-G114 PolarHBondContact O-N 3.29Å; D111-G114 VanDerWaalsContact O-N 3.1Å; D111-G114 PolarHBondContact OD1-N 3.42Å; D111-G114 VanDerWaalsContact OD1-N 3.17Å
115K94.2Very high91.9Very high132 Ų13269.3 Ų69.357%0.57436%0.358SS*.SBendtrans-100.3161.3-172-54.2-164.8178.7-167.10111.8P110 D111 K113 R117P110-K115 CarbonylContact C-O 3.54Å; P110-K115 WeakPolarHBondContact CA-O 3.47Å; D111-K115 PolarHBondContact N-O 3.37Å; D111-K115 PolarHBondContact OD1-N 3.35Å; K113-K115 VanDerWaalsContact C-N 3.27Å; K113-K115 HydrophobicContact CB-CG 4.35Å; K113-K115 PolarHBondContact O-N 3.43Å; K115-R117 PolarHBondContact O-N 2.83Å
116M95.4Very high91Very high19 Ų1969.8 Ų69.89%0.09436%0.359CS..BIsolated β-bridgetrans-56.5128.5174.3-173.5178.6-66.200111.1R130 L131 D132 L163 C164 V165M116-R130 HydrophobicContact CG-CG 4.38Å; M116-R130 HydrophobicContact SD-CG 4.04Å; M116-L131 HydrophobicContact CG-CB 4Å; M116-L131 HydrophobicContact CG-CD1 4.16Å; M116-L131 HydrophobicContact SD-CB 3.91Å; M116-D132 HydrophobicContact CE-CB 4.16Å; M116-D132 HydrophobicContact SD-CB 3.71Å; M116-D132 VanDerWaalsContact SD-CG 3.59Å; M116-D132 PolarHBondContact SD-N 2.84Å; M116-D132 VanDerWaalsContact SD-N 3.43Å; M116-L163 HydrophobicContact CB-CD2 4.49Å; M116-C164 WeakPolarHBondContact CE-O 3.35Å; M116-V165 HydrophobicContact CE-CG1 3.7Å; M116-V165 HydrophobicContact CG-CG1 4.25Å; M116-V165 HydrophobicContact SD-CG1 3.78Å
117R93.8Very high90.4Very high102 Ų10273.5 Ų73.539%0.38538%0.375SS..PPolyproline II helixtrans-62.3163.5179.5-81.9176.8-172.6-108.4-11113.1D84 N109 P110 D111 K115 L131D84-R117 WeakPolarHBondContact OD1-CD 3.26Å; N109-R117 WeakPolarHBondContact O-CD 3.28Å; N109-R117 VanDerWaalsContact O-CG 3.23Å; N109-R117 WeakPolarHBondContact O-CG 3.41Å; N109-R117 PolarHBondContact O-NE 2.73Å; N109-R117 VanDerWaalsContact O-NE 3.11Å; P110-R117 VanDerWaalsContact O-CZ 3.23Å; P110-R117 PolarHBondContact O-NE 2.84Å; P110-R117 PolarHBondContact O-NH2 2.78Å; D111-R117 HydrophobicContact CB-CG 4.12Å; K115-R117 PolarHBondContact O-N 2.83Å; R117-L131 HydrophobicContact CB-CD1 3.77Å; R117-L131 WeakPolarHBondContact O-CG 3.06Å; R117-L131 PolarHBondContact O-N 3.36Å
118R94.2Very high90.1Very high155 Ų15575.5 Ų75.559%0.58539%0.388SS*.EExtended strand (participates in β ladder)trans-112.7133.5172.1-61.3179.2176.6-95.21.4109.8V128 W129R118-V128 HydrophobicContact CB-CB 4.25Å; R118-V128 HydrophobicContact CB-CG1 3.55Å; R118-W129 CarbonylContact C-O 3.39Å; R118-W129 WeakPolarHBondContact CA-O 3.34Å; R118-W129 WeakPolarHBondContact CB-O 3.44Å
119I94.9Very high90Very high5 Ų575.6 Ų75.63%0.02639%0.389CS..EExtended strand (participates in β ladder)trans-113138-179.2-167.4173.1000110.1L77 K80 L81 V128 W129 L131 V134L77-I119 HydrophobicContact CD1-CD1 3.81Å; L77-I119 HydrophobicContact CD1-CG1 4.35Å; K80-I119 HydrophobicContact CB-CD1 3.85Å; K80-I119 HydrophobicContact CB-CG1 4.4Å; L81-I119 HydrophobicContact CB-CD1 4.49Å; L81-I119 HydrophobicContact CD1-CD1 4.46Å; I119-V128 WeakPolarHBondContact O-CG1 3.21Å; I119-W129 PolarHBondContact N-O 3.01Å; I119-W129 PolarHBondContact O-N 2.99Å; I119-L131 HydrophobicContact CB-CD2 3.89Å; I119-L131 HydrophobicContact CD1-CD2 4.24Å; I119-L131 HydrophobicContact CG2-CD2 3.79Å; I119-L131 HydrophobicContact CG2-CG 4.49Å; I119-V134 HydrophobicContact CG2-CB 4.22Å; I119-V134 HydrophobicContact CG2-CG1 4.24Å; I119-V134 HydrophobicContact CG2-CG2 3.76Å
120D94.8Very high89.9Confident31 Ų3177.2 Ų77.217%0.16639%0.391CS..EExtended strand (participates in β ladder)trans-81.4136.2166.2145.759.4000109.2K80 L122 G123K80-D120 WeakPolarHBondContact CE-O 3.47Å; K80-D120 PolarHBondContact NZ-O 2.87Å; K80-D120 IonicContact NZ-OD2 3.17Å; K80-D120 PolarHBondContact NZ-OD2 3.39Å; K80-D120 VanDerWaalsContact NZ-OD2 3.1Å; D120-L122 PolarHBondContact OD1-N 2.82Å; D120-G123 PolarHBondContact OD1-N 3.26Å; D120-G123 VanDerWaalsContact OD1-O 3.08Å; D120-G123 WeakPolarHBondContact OD2-CA 3.07Å; D120-G123 PolarHBondContact OD2-N 2.91Å
121C96.3Very high90Very high3 Ų374.9 Ų74.92%0.0238%0.376CS..SBendtrans-92.8-20.1-178.4-620000114.6F32 W73 L77F32-C121 HydrophobicContact CB-CB 4.46Å; F32-C121 HydrophobicContact CD1-CB 3.88Å; F32-C121 HydrophobicContact CD2-CB 4.39Å; F32-C121 HydrophobicContact CE1-CB 4.18Å; F32-C121 VanDerWaalsContact CE1-SG 3.53Å; F32-C121 HydrophobicContact CG-CB 4Å; W73-C121 PolarHBondContact NE1-O 3.38Å; L77-C121 HydrophobicContact CD2-CB 4.42Å
122L93.3Very high90.1Very high50 Ų5072.4 Ų72.426%0.26236%0.363SS..SBendtrans-131.6-31.5-169.1-65.2180000115.2F32 D120F32-L122 HydrophobicContact CB-CD2 4.47Å; D120-L122 PolarHBondContact OD1-N 2.82Å
123G81.3Confident90.3Very high29 Ų2962.7 Ų62.730%0.29932%0.318SS..  trans151.9168.1179.700000112D120 A125 D126D120-G123 PolarHBondContact OD1-N 3.26Å; D120-G123 VanDerWaalsContact OD1-O 3.08Å; D120-G123 WeakPolarHBondContact OD2-CA 3.07Å; D120-G123 PolarHBondContact OD2-N 2.91Å; G123-A125 PolarHBondContact O-N 2.86Å; G123-D126 PolarHBondContact O-N 3.45Å; G123-D126 VanDerWaalsContact O-N 3.17Å
124Q66.6Low90.4Very high213 Ų21354.5 Ų54.5100%0.99528%0.282SS*.THydrogen-bonded Turntrans-63.613.7-172.6-63.8177.5-80.300116.5
125A62Low90.6Very high102 Ų10252.5 Ų52.584%0.84326%0.261SS*.THydrogen-bonded Turntrans-113.86.3176.100000113.6G123G123-A125 PolarHBondContact O-N 2.86Å
126D79.8Confident90.7Very high30 Ų3046.2 Ų46.216%0.1623%0.234CC..SBendtrans-129.8173.5-177-156.54.1000114S36 R39 G123S36-D126 WeakPolarHBondContact CB-OD2 3.18Å; S36-D126 VanDerWaalsContact OG-CG 3.24Å; S36-D126 PolarHBondContact OG-OD2 3.15Å; R39-D126 IonicContact CZ-OD1 2.72Å; R39-D126 VanDerWaalsContact CZ-OD1 3.3Å; R39-D126 IonicContact CZ-OD2 3.91Å; R39-D126 IonicContact NE-OD1 3.93Å; R39-D126 PolarHBondContact NE-OD1 2.93Å; R39-D126 IonicContact NE-OD2 3.1Å; R39-D126 VanDerWaalsContact NH2-CG 3.28Å; R39-D126 IonicContact NH2-OD1 3.05Å; R39-D126 PolarHBondContact NH2-OD1 2.82Å; R39-D126 IonicContact NH2-OD2 2.64Å; R39-D126 PolarHBondContact NH2-OD2 2.84Å; G123-D126 PolarHBondContact O-N 3.45Å; G123-D126 VanDerWaalsContact O-N 3.17Å
127K85.6Confident90.7Very high79 Ų7945.3 Ų45.334%0.34323%0.23SC..PPolyproline II helixtrans-64.6135.2-177.3-171.8170.7-178.6-177.60111.9W129 S146K127-W129 PolarHBondContact O-NE1 3.18Å; K127-S146 WeakPolarHBondContact CD-OG 3.36Å; K127-S146 WeakPolarHBondContact CE-OG 3.41Å; K127-S146 PolarHBondContact NZ-OG 3.43Å
128V91.9Very high90.9Very high66 Ų6640.5 Ų40.540%0.421%0.212SC..EExtended strand (participates in β ladder)trans-87.5126.3175.4-1530000110.1R118 I119R118-V128 HydrophobicContact CB-CB 4.25Å; R118-V128 HydrophobicContact CB-CG1 3.55Å; I119-V128 WeakPolarHBondContact O-CG1 3.21Å
129W95.4Very high91Very high3 Ų333.5 Ų33.51%0.01119%0.186CC..EExtended strand (participates in β ladder)trans-100.3154.7-174.8-65.270.5000111.3F32 Q35 R118 I119 K127 L133 V134 L144 S146F32-W129 HydrophobicContact CD1-CD2 4.38Å; F32-W129 AromaticContact CD1-CE2 3.82Å; F32-W129 HydrophobicContact CD1-CH2 4.28Å; F32-W129 AromaticContact CD1-CZ2 3.79Å; F32-W129 HydrophobicContact CD1-CZ2 3.79Å; F32-W129 AromaticContact CE1-CD2 3.81Å; F32-W129 HydrophobicContact CE1-CD2 3.81Å; F32-W129 AromaticContact CE1-CE2 3.74Å; F32-W129 HydrophobicContact CE1-CE3 4.02Å; F32-W129 HydrophobicContact CE1-CG 4.34Å; F32-W129 HydrophobicContact CE1-CH2 4.12Å; F32-W129 AromaticContact CE1-CZ2 3.91Å; F32-W129 HydrophobicContact CE1-CZ2 3.91Å; F32-W129 HydrophobicContact CE1-CZ3 4.16Å; Q35-W129 HydrophobicContact CB-CZ2 4.42Å; R118-W129 CarbonylContact C-O 3.39Å; R118-W129 WeakPolarHBondContact CA-O 3.34Å; R118-W129 WeakPolarHBondContact CB-O 3.44Å; I119-W129 PolarHBondContact N-O 3.01Å; I119-W129 PolarHBondContact O-N 2.99Å; K127-W129 PolarHBondContact O-NE1 3.18Å; W129-L133 HydrophobicContact CE3-CB 4.43Å; W129-V134 HydrophobicContact CB-CG2 3.4Å; W129-V134 HydrophobicContact CG-CG2 4.11Å; W129-L144 WeakPolarHBondContact CZ3-O 3.19Å; W129-S146 VanDerWaalsContact CZ3-CA 3.45Å; W129-S146 VanDerWaalsContact CZ3-N 3.28Å
130R95.6Very high91Very high76 Ų7636 Ų3629%0.28720%0.196SC..EExtended strand (participates in β ladder)trans-76.2143.6170.8-160.1-158.5-84.7169.10.5109.1M116 D132 L133 V134M116-R130 HydrophobicContact CG-CG 4.38Å; M116-R130 HydrophobicContact SD-CG 4.04Å; R130-D132 VanDerWaalsContact CB-OD1 3.28Å; R130-D132 WeakPolarHBondContact CB-OD1 3.35Å; R130-D132 WeakPolarHBondContact CD-OD1 3.16Å; R130-D132 WeakPolarHBondContact CD-OD2 3.29Å; R130-D132 VanDerWaalsContact CG-OD1 3.22Å; R130-D132 WeakPolarHBondContact CG-OD1 3.27Å; R130-D132 IonicContact CZ-OD2 2.8Å; R130-D132 IonicContact NE-OD2 2.76Å; R130-D132 IonicContact NH1-OD2 3.77Å; R130-D132 PolarHBondContact NH1-OD2 3.22Å; R130-D132 PolarHBondContact O-N 2.95Å; R130-L133 HydrophobicContact CB-CD1 4.24Å; R130-L133 PolarHBondContact O-N 3.41Å; R130-V134 PolarHBondContact O-N 2.86Å
131L97.5Very high91Very high1 Ų134.6 Ų34.61%0.00519%0.189CC..Hα-helixtrans-61.8-40.5-170.2-75.8162.4000113.9L81 D84 M116 R117 I119 V134 M135 V165L81-L131 HydrophobicContact CD1-CD2 3.8Å; D84-L131 HydrophobicContact CB-CD1 3.98Å; D84-L131 HydrophobicContact CB-CD2 3.95Å; M116-L131 HydrophobicContact CG-CB 4Å; M116-L131 HydrophobicContact CG-CD1 4.16Å; M116-L131 HydrophobicContact SD-CB 3.91Å; R117-L131 HydrophobicContact CB-CD1 3.77Å; R117-L131 WeakPolarHBondContact O-CG 3.06Å; R117-L131 PolarHBondContact O-N 3.36Å; I119-L131 HydrophobicContact CB-CD2 3.89Å; I119-L131 HydrophobicContact CD1-CD2 4.24Å; I119-L131 HydrophobicContact CG2-CD2 3.79Å; I119-L131 HydrophobicContact CG2-CG 4.49Å; L131-V134 PolarHBondContact O-N 3.17Å; L131-M135 WeakPolarHBondContact O-CG 3.49Å; L131-M135 PolarHBondContact O-N 3.39Å; L131-V165 HydrophobicContact CB-CG1 3.64Å; L131-V165 HydrophobicContact CD1-CG1 4.35Å
132D97.3Very high90.8Very high5 Ų534.9 Ų34.93%0.02719%0.19CC..Hα-helixtrans-53.5-50.5174.651.93.9000113.1M116 R130 V134 M135 V136 L152 I170M116-D132 HydrophobicContact CE-CB 4.16Å; M116-D132 HydrophobicContact SD-CB 3.71Å; M116-D132 VanDerWaalsContact SD-CG 3.59Å; M116-D132 PolarHBondContact SD-N 2.84Å; M116-D132 VanDerWaalsContact SD-N 3.43Å; R130-D132 VanDerWaalsContact CB-OD1 3.28Å; R130-D132 WeakPolarHBondContact CB-OD1 3.35Å; R130-D132 WeakPolarHBondContact CD-OD1 3.16Å; R130-D132 WeakPolarHBondContact CD-OD2 3.29Å; R130-D132 VanDerWaalsContact CG-OD1 3.22Å; R130-D132 WeakPolarHBondContact CG-OD1 3.27Å; R130-D132 IonicContact CZ-OD2 2.8Å; R130-D132 IonicContact NE-OD2 2.76Å; R130-D132 IonicContact NH1-OD2 3.77Å; R130-D132 PolarHBondContact NH1-OD2 3.22Å; R130-D132 PolarHBondContact O-N 2.95Å; D132-V134 VanDerWaalsContact C-N 3.31Å; D132-V134 PolarHBondContact O-N 3.44Å; D132-M135 PolarHBondContact O-N 3.2Å; D132-V136 WeakPolarHBondContact O-CG2 3.28Å; D132-V136 PolarHBondContact O-N 2.97Å; D132-V136 VanDerWaalsContact O-N 3.12Å; D132-L152 HydrophobicContact CB-CD1 3.73Å; D132-I170 HydrophobicContact CB-CD1 3.75Å
133L96.7Very high90.8Very high1 Ų134.5 Ų34.51%0.00519%0.191CC..Hα-helixtrans-56.2-46.1174.1-68.1169.6000111W129 R130 M135 V136 V137 L144 D148 L152W129-L133 HydrophobicContact CE3-CB 4.43Å; R130-L133 HydrophobicContact CB-CD1 4.24Å; R130-L133 PolarHBondContact O-N 3.41Å; L133-M135 VanDerWaalsContact C-N 3.35Å; L133-M135 PolarHBondContact O-N 3.02Å; L133-V136 PolarHBondContact O-N 3.13Å; L133-V137 VanDerWaalsContact O-CG2 3.32Å; L133-V137 WeakPolarHBondContact O-CG2 3.46Å; L133-V137 PolarHBondContact O-N 2.92Å; L133-L144 HydrophobicContact CD2-CB 4.26Å; L133-L144 HydrophobicContact CD2-CD1 3.9Å; L133-D148 HydrophobicContact CD2-CB 4.31Å; L133-L152 HydrophobicContact CD2-CD1 3.78Å; L133-L152 HydrophobicContact CD2-CD2 4.46Å; L133-L152 HydrophobicContact CD2-CG 4.07Å; L133-L152 HydrophobicContact CG-CD1 4.03Å
134V97.4Very high91.3Very high0 Ų033.3 Ų33.30%018%0.177CC..Hα-helixtrans-65.2-38.7-178.3174.60000111.5F32 I119 W129 R130 L131 D132 V137 L138F32-V134 HydrophobicContact CE1-CG2 4.42Å; F32-V134 HydrophobicContact CZ-CB 4.46Å; F32-V134 HydrophobicContact CZ-CG1 4.2Å; F32-V134 HydrophobicContact CZ-CG2 4.15Å; I119-V134 HydrophobicContact CG2-CB 4.22Å; I119-V134 HydrophobicContact CG2-CG1 4.24Å; I119-V134 HydrophobicContact CG2-CG2 3.76Å; W129-V134 HydrophobicContact CB-CG2 3.4Å; W129-V134 HydrophobicContact CG-CG2 4.11Å; R130-V134 PolarHBondContact O-N 2.86Å; L131-V134 PolarHBondContact O-N 3.17Å; D132-V134 VanDerWaalsContact C-N 3.31Å; D132-V134 PolarHBondContact O-N 3.44Å; V134-V137 PolarHBondContact O-N 3.1Å; V134-L138 HydrophobicContact CG1-CD1 3.62Å; V134-L138 HydrophobicContact CG1-CG 4.09Å; V134-L138 VanDerWaalsContact O-CB 3.28Å; V134-L138 WeakPolarHBondContact O-CB 3.44Å; V134-L138 WeakPolarHBondContact O-CG 3.5Å; V134-L138 PolarHBondContact O-N 3.4Å
135M97.8Very high92.5Very high0 Ų025.9 Ų25.90%014%0.143CC..Hα-helixtrans-64.2-41.7176.5-69.3-74.3-142.600112.1L81 I85 F93 L131 D132 L133 L138 F139 V165 P167L81-M135 HydrophobicContact CD1-CE 3.83Å; L81-M135 HydrophobicContact CD1-SD 4.04Å; L81-M135 HydrophobicContact CD2-CE 4Å; L81-M135 HydrophobicContact CD2-SD 3.77Å; L81-M135 HydrophobicContact CG-CE 4.15Å; L81-M135 HydrophobicContact CG-SD 4.41Å; I85-M135 HydrophobicContact CD1-CE 3.84Å; I85-M135 HydrophobicContact CG1-CE 4.41Å; F93-M135 HydrophobicContact CD2-CE 4.48Å; F93-M135 HydrophobicContact CE1-CE 4.07Å; F93-M135 HydrophobicContact CE2-CE 3.65Å; F93-M135 HydrophobicContact CE2-SD 4.02Å; F93-M135 HydrophobicContact CZ-CE 3.41Å; F93-M135 VanDerWaalsContact CZ-CE 3.41Å; F93-M135 HydrophobicContact CZ-SD 3.58Å; F93-M135 VanDerWaalsContact CZ-SD 3.58Å; L131-M135 WeakPolarHBondContact O-CG 3.49Å; L131-M135 PolarHBondContact O-N 3.39Å; D132-M135 PolarHBondContact O-N 3.2Å; L133-M135 VanDerWaalsContact C-N 3.35Å; L133-M135 PolarHBondContact O-N 3.02Å; M135-L138 PolarHBondContact O-N 3.32Å; M135-F139 WeakPolarHBondContact O-CD2 3.08Å; M135-F139 PolarHBondContact O-N 3.11Å; M135-F139 HydrophobicContact SD-CD2 3.99Å; M135-F139 HydrophobicContact SD-CE2 3.68Å; M135-V165 HydrophobicContact CE-CB 3.75Å; M135-V165 HydrophobicContact CE-CG2 3.54Å; M135-V165 WeakPolarHBondContact CE-O 3.48Å; M135-V165 HydrophobicContact CG-CB 4.14Å; M135-V165 WeakPolarHBondContact CG-O 3.37Å; M135-P167 HydrophobicContact CB-CB 4.32Å
136V96.8Very high93.9Very high0 Ų021.9 Ų21.90%011%0.108CC..Iπ-helixtrans-68.1-42.4177.9177.50000111.2D132 L133 K140 G141 I142 L144 I170 I172D132-V136 WeakPolarHBondContact O-CG2 3.28Å; D132-V136 PolarHBondContact O-N 2.97Å; D132-V136 VanDerWaalsContact O-N 3.12Å; L133-V136 PolarHBondContact O-N 3.13Å; V136-K140 HydrophobicContact CG1-CB 4.32Å; V136-K140 HydrophobicContact CG1-CD 4.45Å; V136-K140 CarbonylContact O-C 3.48Å; V136-K140 WeakPolarHBondContact O-CA 3.12Å; V136-K140 WeakPolarHBondContact O-CB 3.47Å; V136-K140 PolarHBondContact O-N 2.82Å; V136-K140 VanDerWaalsContact O-N 3.08Å; V136-G141 PolarHBondContact O-N 3Å; V136-I142 HydrophobicContact CG1-CB 4.14Å; V136-I142 HydrophobicContact CG1-CD1 3.78Å; V136-I142 HydrophobicContact CG1-CG1 4.48Å; V136-L144 HydrophobicContact CB-CD1 3.93Å; V136-L144 HydrophobicContact CG1-CD1 3.62Å; V136-L144 HydrophobicContact CG1-CG 4.42Å; V136-I170 HydrophobicContact CG2-CB 3.92Å; V136-I170 HydrophobicContact CG2-CD1 4.12Å; V136-I170 HydrophobicContact CG2-CG2 3.55Å; V136-I172 HydrophobicContact CG1-CD1 4Å
137V96.1Very high94.4Very high0 Ų024.8 Ų24.80%013%0.127CC..Iπ-helixtrans-62.5-43.6172.7175.10000111.6A28 F32 L133 V134 G141 I142 L144A28-V137 HydrophobicContact CB-CG1 3.94Å; F32-V137 HydrophobicContact CD2-CG1 4.22Å; F32-V137 HydrophobicContact CE1-CG1 4.34Å; F32-V137 HydrophobicContact CE2-CB 4.18Å; F32-V137 HydrophobicContact CE2-CG1 3.49Å; F32-V137 VanDerWaalsContact CE2-CG1 3.49Å; F32-V137 HydrophobicContact CZ-CB 3.85Å; F32-V137 HydrophobicContact CZ-CG1 3.56Å; F32-V137 HydrophobicContact CZ-CG2 4.33Å; L133-V137 VanDerWaalsContact O-CG2 3.32Å; L133-V137 WeakPolarHBondContact O-CG2 3.46Å; L133-V137 PolarHBondContact O-N 2.92Å; V134-V137 PolarHBondContact O-N 3.1Å; V137-G141 VanDerWaalsContact O-CA 3.23Å; V137-G141 WeakPolarHBondContact O-CA 3.41Å; V137-G141 PolarHBondContact O-N 2.84Å; V137-I142 WeakPolarHBondContact CG2-O 3.29Å; V137-L144 HydrophobicContact CG2-CB 4.14Å
138L97.6Very high94.7Very high2 Ų221.9 Ų21.91%0.0112%0.116CC..Iπ-helixtrans-72.3-43.9-175.6-75173.9000113.9V24 K25 A28 F32 W73 L77 V134 M135V24-L138 WeakPolarHBondContact CA-O 3.45Å; V24-L138 HydrophobicContact CG1-CD2 3.75Å; K25-L138 WeakPolarHBondContact CG-O 3.43Å; K25-L138 PolarHBondContact N-O 2.82Å; A28-L138 HydrophobicContact CB-CD2 3.95Å; F32-L138 HydrophobicContact CE2-CD2 4.29Å; F32-L138 HydrophobicContact CE2-CG 4.5Å; W73-L138 HydrophobicContact CH2-CD2 3.72Å; W73-L138 HydrophobicContact CZ2-CD2 4.43Å; W73-L138 HydrophobicContact CZ3-CD2 4.45Å; L77-L138 HydrophobicContact CD2-CD1 4.15Å; L77-L138 HydrophobicContact CD2-CD2 3.94Å; L77-L138 HydrophobicContact CG-CD1 4.41Å; V134-L138 HydrophobicContact CG1-CD1 3.62Å; V134-L138 HydrophobicContact CG1-CG 4.09Å; V134-L138 VanDerWaalsContact O-CB 3.28Å; V134-L138 WeakPolarHBondContact O-CB 3.44Å; V134-L138 WeakPolarHBondContact O-CG 3.5Å; V134-L138 PolarHBondContact O-N 3.4Å; M135-L138 PolarHBondContact O-N 3.32Å
139F97.1Very high94.7Very high8 Ų820 Ų204%0.03511%0.106CC..Iπ-helixtrans-109.5-29.6-167.8-62.5-72.5000113.9L20 V24 K25 L78 L81 F93 V97 M135 P167L20-F139 HydrophobicContact CD2-CE1 4.31Å; L20-F139 HydrophobicContact CD2-CZ 4.49Å; V24-F139 HydrophobicContact CG2-CE1 4.15Å; V24-F139 HydrophobicContact CG2-CZ 4.44Å; K25-F139 WeakPolarHBondContact CE-O 3.37Å; L78-F139 HydrophobicContact CD2-CZ 3.88Å; L81-F139 HydrophobicContact CD2-CE2 4.19Å; L81-F139 HydrophobicContact CD2-CZ 4.49Å; F93-F139 HydrophobicContact CE1-CE2 4.46Å; F93-F139 HydrophobicContact CE1-CZ 4.4Å; F93-F139 HydrophobicContact CZ-CD2 4.34Å; F93-F139 AromaticContact CZ-CE2 3.69Å; F93-F139 HydrophobicContact CZ-CE2 3.69Å; F93-F139 AromaticContact CZ-CZ 3.99Å; F93-F139 HydrophobicContact CZ-CZ 3.99Å; V97-F139 HydrophobicContact CG1-CD1 3.65Å; V97-F139 HydrophobicContact CG1-CE1 3.79Å; V97-F139 HydrophobicContact CG1-CG 4.48Å; V97-F139 HydrophobicContact CG2-CD1 4.48Å; M135-F139 WeakPolarHBondContact O-CD2 3.08Å; M135-F139 PolarHBondContact O-N 3.11Å; M135-F139 HydrophobicContact SD-CD2 3.99Å; M135-F139 HydrophobicContact SD-CE2 3.68Å; F139-P167 HydrophobicContact CB-CB 4.19Å; F139-P167 HydrophobicContact CB-CG 3.9Å; F139-P167 HydrophobicContact CD2-CG 4.22Å; F139-P167 HydrophobicContact CG-CG 4.31Å
140K94.9Very high94.5Very high57 Ų5725.1 Ų25.125%0.24813%0.129CC..Iπ-helixtrans-91.5-25.4169-68.8-176.9165.6178.30112.2V136 I142 P167 I170V136-K140 HydrophobicContact CG1-CB 4.32Å; V136-K140 HydrophobicContact CG1-CD 4.45Å; V136-K140 CarbonylContact O-C 3.48Å; V136-K140 WeakPolarHBondContact O-CA 3.12Å; V136-K140 WeakPolarHBondContact O-CB 3.47Å; V136-K140 PolarHBondContact O-N 2.82Å; V136-K140 VanDerWaalsContact O-N 3.08Å; K140-I142 HydrophobicContact CB-CD1 3.51Å; K140-I142 HydrophobicContact CB-CG1 4.03Å; K140-I142 HydrophobicContact CD-CD1 4.05Å; K140-I142 HydrophobicContact CG-CD1 4.39Å; K140-P167 WeakPolarHBondContact CE-O 3.48Å; K140-P167 PolarHBondContact NZ-O 2.89Å; K140-I170 PolarHBondContact NZ-O 2.96Å
141G94.7Very high94.3Very high1 Ų123.4 Ų23.41%0.0112%0.123CC..  trans85.115.5175.100000114.6F27 V136 V137 F203F27-G141 WeakPolarHBondContact CD1-O 3.13Å; F27-G141 WeakPolarHBondContact CE1-O 3.33Å; V136-G141 PolarHBondContact O-N 3Å; V137-G141 VanDerWaalsContact O-CA 3.23Å; V137-G141 WeakPolarHBondContact O-CA 3.41Å; V137-G141 PolarHBondContact O-N 2.84Å; G141-F203 VanDerWaalsContact O-CE1 3.23Å; G141-F203 WeakPolarHBondContact O-CE1 3.41Å; G141-F203 VanDerWaalsContact O-CZ 3.24Å; G141-F203 WeakPolarHBondContact O-CZ 3.48Å
142I92.3Very high94.2Very high9 Ų924.4 Ų24.45%0.04613%0.128CC..  trans-86137.6-166.6-62.4156.9000110.4V136 V137 K140 L144 I172 F207V136-I142 HydrophobicContact CG1-CB 4.14Å; V136-I142 HydrophobicContact CG1-CD1 3.78Å; V136-I142 HydrophobicContact CG1-CG1 4.48Å; V137-I142 WeakPolarHBondContact CG2-O 3.29Å; K140-I142 HydrophobicContact CB-CD1 3.51Å; K140-I142 HydrophobicContact CB-CG1 4.03Å; K140-I142 HydrophobicContact CD-CD1 4.05Å; K140-I142 HydrophobicContact CG-CD1 4.39Å; I142-L144 HydrophobicContact CG2-CD2 4.17Å; I142-L144 HydrophobicContact CG2-CG 4.1Å; I142-L144 PolarHBondContact O-N 2.8Å; I142-I172 HydrophobicContact CB-CD1 4.48Å; I142-I172 HydrophobicContact CD1-CD1 3.79Å; I142-I172 HydrophobicContact CG2-CD1 3.85Å; I142-F207 HydrophobicContact CD1-CD2 3.52Å; I142-F207 HydrophobicContact CD1-CE2 3.23Å; I142-F207 HydrophobicContact CD1-CG 4.49Å; I142-F207 HydrophobicContact CD1-CZ 3.99Å; I142-F207 HydrophobicContact CG1-CD2 3.67Å; I142-F207 HydrophobicContact CG1-CE2 3.8Å; I142-F207 HydrophobicContact CG1-CG 4.21Å; I142-F207 HydrophobicContact CG1-CZ 4.41Å; I142-F207 HydrophobicContact CG2-CD1 4.31Å; I142-F207 HydrophobicContact CG2-CD2 4.48Å; I142-F207 HydrophobicContact CG2-CE1 4Å; I142-F207 HydrophobicContact CG2-CE2 4.2Å; I142-F207 HydrophobicContact CG2-CZ 3.96Å
143P91.9Very high94Very high43 Ų4329 Ų2928%0.27915%0.149SC..  trans-7362.4-178.331.2-38.8000113.3F27 W31F27-P143 HydrophobicContact CZ-CB 3.86Å; W31-P143 HydrophobicContact CD2-CB 4.32Å; W31-P143 HydrophobicContact CE3-CB 4.16Å; W31-P143 HydrophobicContact CH2-CB 3.61Å; W31-P143 VanDerWaalsContact CZ2-C 3.44Å; W31-P143 HydrophobicContact CZ2-CB 3.78Å; W31-P143 WeakPolarHBondContact CZ2-O 3.49Å; W31-P143 HydrophobicContact CZ3-CB 3.81Å
144L92.7Very high93.9Very high3 Ų331.4 Ų31.42%0.01616%0.16CC..  trans-78.9137176.2-66.5-177.7000111.9W31 W129 L133 V136 V137 I142 D148 L152 I172W31-L144 PolarHBondContact NE1-O 2.96Å; W129-L144 WeakPolarHBondContact CZ3-O 3.19Å; L133-L144 HydrophobicContact CD2-CB 4.26Å; L133-L144 HydrophobicContact CD2-CD1 3.9Å; V136-L144 HydrophobicContact CB-CD1 3.93Å; V136-L144 HydrophobicContact CG1-CD1 3.62Å; V136-L144 HydrophobicContact CG1-CG 4.42Å; V137-L144 HydrophobicContact CG2-CB 4.14Å; I142-L144 HydrophobicContact CG2-CD2 4.17Å; I142-L144 HydrophobicContact CG2-CG 4.1Å; I142-L144 PolarHBondContact O-N 2.8Å; L144-D148 HydrophobicContact CD2-CB 4.35Å; L144-L152 HydrophobicContact CD1-CD2 3.74Å; L144-I172 HydrophobicContact CD1-CD1 4.19Å; L144-I172 HydrophobicContact CD2-CD1 3.97Å; L144-I172 HydrophobicContact CD2-CG1 4.42Å; L144-I172 HydrophobicContact CG-CD1 4.39Å
145E91.6Very high93.7Very high58 Ų5832.6 Ų32.627%0.27117%0.169SC..  trans-79.8157.2170-87.5-69.8-17500112.5Q35 T147 D148Q35-E145 PolarHBondContact NE2-OE1 3.4Å; Q35-E145 PolarHBondContact OE1-OE1 2.7Å; Q35-E145 VanDerWaalsContact OE1-OE1 3.11Å; E145-T147 PolarHBondContact O-N 3.1Å; E145-D148 WeakPolarHBondContact CB-OD1 3.3Å; E145-D148 PolarHBondContact N-OD2 2.84Å; E145-D148 WeakPolarHBondContact O-CB 3.23Å; E145-D148 PolarHBondContact O-N 3Å; E145-D148 VanDerWaalsContact O-N 3.07Å
146S90.4Very high93.4Very high17 Ų1738.6 Ų38.612%0.11921%0.207CC..THydrogen-bonded Turntrans-67.54177.9560000114.7K127 W129K127-S146 WeakPolarHBondContact CD-OG 3.36Å; K127-S146 WeakPolarHBondContact CE-OG 3.41Å; K127-S146 PolarHBondContact NZ-OG 3.43Å; W129-S146 VanDerWaalsContact CZ3-CA 3.45Å; W129-S146 VanDerWaalsContact CZ3-N 3.28Å
147T91Very high93.2Very high91 Ų9142.9 Ų42.956%0.55823%0.23SC*.THydrogen-bonded Turntrans-106.9-23.117538.10000113.4E145 S149E145-T147 PolarHBondContact O-N 3.1Å; T147-S149 PolarHBondContact O-N 3.42Å
148D92.4Very high93.2Very high19 Ų1943.4 Ų43.410%0.10223%0.234CC..  trans-74.728.5-162.7-66.411.4000114.1L133 L144 E145 E150 R151L133-D148 HydrophobicContact CD2-CB 4.31Å; L144-D148 HydrophobicContact CD2-CB 4.35Å; E145-D148 WeakPolarHBondContact CB-OD1 3.3Å; E145-D148 PolarHBondContact N-OD2 2.84Å; E145-D148 WeakPolarHBondContact O-CB 3.23Å; E145-D148 PolarHBondContact O-N 3Å; E145-D148 VanDerWaalsContact O-N 3.07Å; D148-E150 WeakPolarHBondContact CA-OE2 3.48Å; D148-E150 PolarHBondContact O-N 3.08Å; D148-R151 HydrophobicContact CB-CB 4.45Å; D148-R151 HydrophobicContact CB-CG 4.37Å; D148-R151 PolarHBondContact O-N 3.37Å; D148-R151 VanDerWaalsContact O-N 3.11Å; D148-R151 IonicContact OD2-NH1 3.12Å; D148-R151 PolarHBondContact OD2-NH1 2.86Å; D148-R151 VanDerWaalsContact OD2-NH1 3.16Å
149S91.5Very high93.1Very high27 Ų2752.7 Ų52.719%0.18927%0.27CS..THydrogen-bonded Turntrans-66.5-20.8-179.5-68.80000113.8T147T147-S149 PolarHBondContact O-N 3.42Å
150E92.2Very high93Very high109 Ų10956.8 Ų56.851%0.50929%0.289SS..THydrogen-bonded Turntrans-87.3-13.3174.788.5-64.6178.700112.5D148 L152 R175D148-E150 WeakPolarHBondContact CA-OE2 3.48Å; D148-E150 PolarHBondContact O-N 3.08Å; E150-L152 VanDerWaalsContact C-N 3.33Å; E150-R175 IonicContact OE1-CZ 2.69Å; E150-R175 IonicContact OE1-NH1 3.51Å; E150-R175 IonicContact OE1-NH2 3.23Å; E150-R175 PolarHBondContact OE1-NH2 3.38Å
151R91.1Very high92.9Very high40 Ų4057.1 Ų57.115%0.15130%0.299CS..SBendtrans-86.9-1.9172.8-56.4175.277.3-170.914.1112.8D148 I172 S173 D178D148-R151 HydrophobicContact CB-CB 4.45Å; D148-R151 HydrophobicContact CB-CG 4.37Å; D148-R151 PolarHBondContact O-N 3.37Å; D148-R151 VanDerWaalsContact O-N 3.11Å; D148-R151 IonicContact OD2-NH1 3.12Å; D148-R151 PolarHBondContact OD2-NH1 2.86Å; D148-R151 VanDerWaalsContact OD2-NH1 3.16Å; R151-I172 HydrophobicContact CB-CG2 4.34Å; R151-I172 CarbonylContact O-C 3.49Å; R151-I172 WeakPolarHBondContact O-CA 3.2Å; R151-S173 WeakPolarHBondContact CA-OG 3.22Å; R151-S173 PolarHBondContact O-N 3.29Å; R151-D178 IonicContact CZ-OD2 2.71Å; R151-D178 VanDerWaalsContact NH2-CG 3.26Å; R151-D178 IonicContact NH2-OD1 2.76Å; R151-D178 PolarHBondContact NH2-OD1 3.28Å; R151-D178 IonicContact NH2-OD2 3.83Å; R151-D178 PolarHBondContact NH2-OD2 3.32Å
152L94.1Very high92.9Very high23 Ų2362.8 Ų62.812%0.1233%0.328CS..EExtended strand (participates in β ladder)trans-95.9119-178.9-66.5-167000111.9D132 L133 L144 E150 I170 I172D132-L152 HydrophobicContact CB-CD1 3.73Å; L133-L152 HydrophobicContact CD2-CD1 3.78Å; L133-L152 HydrophobicContact CD2-CD2 4.46Å; L133-L152 HydrophobicContact CD2-CG 4.07Å; L133-L152 HydrophobicContact CG-CD1 4.03Å; L144-L152 HydrophobicContact CD1-CD2 3.74Å; E150-L152 VanDerWaalsContact C-N 3.33Å; L152-I170 HydrophobicContact CB-CG2 4.3Å; L152-I170 HydrophobicContact CD1-CG2 4.23Å; L152-I170 HydrophobicContact CD2-CG2 3.8Å; L152-I170 HydrophobicContact CG-CG2 4.34Å; L152-I172 HydrophobicContact CD2-CG1 3.83Å
153E94.6Very high93.2Very high100 Ų10064 Ų6447%0.46733%0.334SS..EExtended strand (participates in β ladder)trans-106.1164.1173.7-67.7174.8172.400110.1I170 S171 S173E153-I170 WeakPolarHBondContact O-CA 3.32Å; E153-S171 PolarHBondContact N-O 3.45Å; E153-S171 PolarHBondContact O-N 3.18Å; E153-S173 WeakPolarHBondContact OE1-CB 3.31Å
154K94.4Very high93.5Very high52 Ų5261.9 Ų61.923%0.22632%0.32CS..EExtended strand (participates in β ladder)trans-113147.3176.4-60.2-67.2179.1176.10110C158 S161 C164 H169 I170K154-C158 HydrophobicContact CB-CB 3.93Å; K154-S161 VanDerWaalsContact CE-O 3.26Å; K154-S161 WeakPolarHBondContact CE-O 3.3Å; K154-C164 PolarHBondContact NZ-O 3.38Å; K154-H169 VanDerWaalsContact CA-O 3.25Å; K154-H169 WeakPolarHBondContact CA-O 3.45Å; K154-I170 HydrophobicContact CD-CG1 4.11Å
155S92.1Very high93.7Very high26 Ų2661.8 Ų61.818%0.18232%0.32CS..  trans-56.9146.2170.8-162.70000110.3D157 C158 H169S155-D157 PolarHBondContact O-N 2.91Å; S155-D157 VanDerWaalsContact O-N 3.14Å; S155-D157 PolarHBondContact OG-OD2 3.06Å; S155-C158 WeakPolarHBondContact O-CB 3.48Å; S155-C158 PolarHBondContact O-N 2.83Å; S155-H169 PolarHBondContact N-O 3.39Å
156P92.8Very high94Very high125 Ų12559 Ų5981%0.81231%0.307SS*.THydrogen-bonded Turntrans-52.3-28.816720.8-34.1000113.3C158P156-C158 PolarHBondContact O-N 3.47Å; P156-C158 VanDerWaalsContact O-N 3.15Å
157D92Very high94.3Very high91 Ų9158.2 Ų58.249%0.48730%0.301SS..THydrogen-bonded Turntrans-71.4-1.1175.1-35.6-73.6000114.2S155 Y159S155-D157 PolarHBondContact O-N 2.91Å; S155-D157 VanDerWaalsContact O-N 3.14Å; S155-D157 PolarHBondContact OG-OD2 3.06Å; D157-Y159 WeakPolarHBondContact O-CD2 3.34Å; D157-Y159 VanDerWaalsContact O-CE2 3.27Å; D157-Y159 WeakPolarHBondContact O-CE2 3.43Å; D157-Y159 PolarHBondContact O-N 3.46Å
158C95.8Very high94.5Very high11 Ų1158.7 Ų58.77%0.07429%0.293CS..  trans-94.873.5-171-161.10000112.6K154 S155 P156 H160 S161 C164 H169K154-C158 HydrophobicContact CB-CB 3.93Å; S155-C158 WeakPolarHBondContact O-CB 3.48Å; S155-C158 PolarHBondContact O-N 2.83Å; P156-C158 PolarHBondContact O-N 3.47Å; P156-C158 VanDerWaalsContact O-N 3.15Å; C158-H160 PolarHBondContact O-N 3.4Å; C158-S161 PolarHBondContact O-N 3.31Å; C158-C164 WeakPolarHBondContact SG-CB 3.47Å; C158-C164 VanDerWaalsContact SG-SG 3.64Å; C158-H169 HydrophobicContact CB-CB 4.18Å; C158-H169 PolarHBondContact SG-ND1 2.84Å; C158-H169 VanDerWaalsContact SG-ND1 3.38Å
159Y94.9Very high94.7Very high197 Ų19758.1 Ų58.177%0.77329%0.29SS*.THydrogen-bonded Turntrans-53.2-14177.2-54.1-80.9000115.6D157D157-Y159 WeakPolarHBondContact O-CD2 3.34Å; D157-Y159 VanDerWaalsContact O-CE2 3.27Å; D157-Y159 WeakPolarHBondContact O-CE2 3.43Å; D157-Y159 PolarHBondContact O-N 3.46Å
160H95.3Very high95Very high94 Ų9456.9 Ų56.944%0.43528%0.281SS..THydrogen-bonded Turntrans-124.943.9-175.7-63.590.4000113.3C105 L107 C158 I162 L163 C164C105-H160 HydrophobicContact CB-CB 4.32Å; L107-H160 HydrophobicContact CD2-CB 3.38Å; C158-H160 PolarHBondContact O-N 3.4Å; H160-I162 PolarHBondContact O-N 2.92Å; H160-L163 PolarHBondContact O-N 3.16Å; H160-C164 HydrophobicContact CB-CB 4.39Å; H160-C164 VanDerWaalsContact O-CB 3.28Å; H160-C164 WeakPolarHBondContact O-CB 3.49Å; H160-C164 PolarHBondContact O-N 2.86Å
161S93.5Very high95Very high64 Ų6454 Ų5445%0.44827%0.273SS..THydrogen-bonded Turntrans-43.3-39-175.861.40000115.8K154 C158 L163K154-S161 VanDerWaalsContact CE-O 3.26Å; K154-S161 WeakPolarHBondContact CE-O 3.3Å; C158-S161 PolarHBondContact O-N 3.31Å; S161-L163 PolarHBondContact O-N 3.49Å
162I94.9Very high95Very high120 Ų12052.5 Ų52.562%0.61527%0.268SS*.THydrogen-bonded Turntrans-66.8-34-177.3-58.7175.6000113.1H160H160-I162 PolarHBondContact O-N 2.92Å
163L97.4Very high94.7Very high33 Ų3352.7 Ų52.717%0.17327%0.271CS..THydrogen-bonded Turntrans-123.6-10.8-171.9-66.3-179.5000114.4S108 P110 M116 H160 S161 V165S108-L163 PolarHBondContact N-O 3.35Å; S108-L163 PolarHBondContact OG-O 2.92Å; P110-L163 HydrophobicContact CB-CD1 4.25Å; P110-L163 HydrophobicContact CB-CD2 4.14Å; M116-L163 HydrophobicContact CB-CD2 4.49Å; H160-L163 PolarHBondContact O-N 3.16Å; S161-L163 PolarHBondContact O-N 3.49Å; L163-V165 PolarHBondContact O-N 3.18Å
164C98Very high94.3Very high0 Ų049.4 Ų49.40%026%0.258CS..BIsolated β-bridgetrans-69.4124.2179.9-175.70000111.7I106 M116 K154 C158 H160I106-C164 CarbonylContact O-C 3.57Å; I106-C164 WeakPolarHBondContact O-CA 3.37Å; M116-C164 WeakPolarHBondContact CE-O 3.35Å; K154-C164 PolarHBondContact NZ-O 3.38Å; C158-C164 WeakPolarHBondContact SG-CB 3.47Å; C158-C164 VanDerWaalsContact SG-SG 3.64Å; H160-C164 HydrophobicContact CB-CB 4.39Å; H160-C164 VanDerWaalsContact O-CB 3.28Å; H160-C164 WeakPolarHBondContact O-CB 3.49Å; H160-C164 PolarHBondContact O-N 2.86Å
165V97.9Very high93.8Very high0 Ų052.8 Ų52.80%027%0.269CS..  trans-11310-179.8-66.50000112.7I85 I106 M116 L131 M135 L163 P167I85-V165 HydrophobicContact CG1-CG2 4.22Å; I106-V165 HydrophobicContact CG2-CG2 4.09Å; I106-V165 VanDerWaalsContact O-CG2 3.31Å; I106-V165 WeakPolarHBondContact O-CG2 3.42Å; I106-V165 PolarHBondContact O-N 2.92Å; M116-V165 HydrophobicContact CE-CG1 3.7Å; M116-V165 HydrophobicContact CG-CG1 4.25Å; M116-V165 HydrophobicContact SD-CG1 3.78Å; L131-V165 HydrophobicContact CB-CG1 3.64Å; L131-V165 HydrophobicContact CD1-CG1 4.35Å; M135-V165 HydrophobicContact CE-CB 3.75Å; M135-V165 HydrophobicContact CE-CG2 3.54Å; M135-V165 WeakPolarHBondContact CE-O 3.48Å; M135-V165 HydrophobicContact CG-CB 4.14Å; M135-V165 WeakPolarHBondContact CG-O 3.37Å; L163-V165 PolarHBondContact O-N 3.18Å; V165-P167 WeakPolarHBondContact O-CD 3.41Å
166N97.4Very high93.6Very high0 Ų059.8 Ų59.80%030%0.299CS..  trans-65.3120.5175.4-170-27.4000110.1S96 E104 I106 Y168 H169 I170S96-N166 PolarHBondContact OG-ND2 3.45Å; E104-N166 PolarHBondContact O-ND2 3.21Å; I106-N166 HydrophobicContact CB-CB 4.02Å; I106-N166 HydrophobicContact CG1-CB 3.91Å; N166-Y168 PolarHBondContact O-N 3.13Å; N166-Y168 VanDerWaalsContact OD1-CD2 3.29Å; N166-Y168 WeakPolarHBondContact OD1-CD2 3.3Å; N166-Y168 PolarHBondContact OD1-N 2.91Å; N166-H169 HydrophobicContact CB-CB 4.1Å; N166-H169 PolarHBondContact O-N 3.46Å; N166-I170 WeakPolarHBondContact O-CG1 3.42Å
167P96.7Very high93.2Very high0 Ų059.3 Ų59.30%029%0.289CS..G310 helixtrans-61.3-25.2-179.725.2-35000113.3M135 F139 K140 V165 I170M135-P167 HydrophobicContact CB-CB 4.32Å; F139-P167 HydrophobicContact CB-CB 4.19Å; F139-P167 HydrophobicContact CB-CG 3.9Å; F139-P167 HydrophobicContact CD2-CG 4.22Å; F139-P167 HydrophobicContact CG-CG 4.31Å; K140-P167 WeakPolarHBondContact CE-O 3.48Å; K140-P167 PolarHBondContact NZ-O 2.89Å; V165-P167 WeakPolarHBondContact O-CD 3.41Å; P167-I170 PolarHBondContact O-N 3.46Å
168Y95.8Very high92.9Very high102 Ų10256.5 Ų56.540%0.427%0.274SS..G310 helixtrans-81.8-15.7176.2-54.4-74.1000113.2V97 A103 N166 I170V97-Y168 HydrophobicContact CG2-CE2 4.38Å; A103-Y168 HydrophobicContact CB-CG 4.39Å; N166-Y168 PolarHBondContact O-N 3.13Å; N166-Y168 VanDerWaalsContact OD1-CD2 3.29Å; N166-Y168 WeakPolarHBondContact OD1-CD2 3.3Å; N166-Y168 PolarHBondContact OD1-N 2.91Å; Y168-I170 VanDerWaalsContact C-N 3.28Å
169H97.2Very high92.4Very high6 Ų658.7 Ų58.73%0.02829%0.285CS..G310 helixtrans-88.46.9167.6-78-161.9000112.8A103 C105 K154 S155 C158 N166A103-H169 PolarHBondContact O-NE2 3.48Å; C105-H169 PolarHBondContact N-CE1 2.96Å; K154-H169 VanDerWaalsContact CA-O 3.25Å; K154-H169 WeakPolarHBondContact CA-O 3.45Å; S155-H169 PolarHBondContact N-O 3.39Å; C158-H169 HydrophobicContact CB-CB 4.18Å; C158-H169 PolarHBondContact SG-ND1 2.84Å; C158-H169 VanDerWaalsContact SG-ND1 3.38Å; N166-H169 HydrophobicContact CB-CB 4.1Å; N166-H169 PolarHBondContact O-N 3.46Å
170I95.9Very high92.1Very high1 Ų155.3 Ų55.31%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-119.2115.7-178.4-60.4163.1000109.9D132 V136 K140 L152 E153 K154 N166 P167 Y168D132-I170 HydrophobicContact CB-CD1 3.75Å; V136-I170 HydrophobicContact CG2-CB 3.92Å; V136-I170 HydrophobicContact CG2-CD1 4.12Å; V136-I170 HydrophobicContact CG2-CG2 3.55Å; K140-I170 PolarHBondContact NZ-O 2.96Å; L152-I170 HydrophobicContact CB-CG2 4.3Å; L152-I170 HydrophobicContact CD1-CG2 4.23Å; L152-I170 HydrophobicContact CD2-CG2 3.8Å; L152-I170 HydrophobicContact CG-CG2 4.34Å; E153-I170 WeakPolarHBondContact O-CA 3.32Å; K154-I170 HydrophobicContact CD-CG1 4.11Å; N166-I170 WeakPolarHBondContact O-CG1 3.42Å; P167-I170 PolarHBondContact O-N 3.46Å; Y168-I170 VanDerWaalsContact C-N 3.28Å
171S92.4Very high91.7Very high48 Ų4854.6 Ų54.634%0.33627%0.273SS..EExtended strand (participates in β ladder)trans-96.9170.1168.9-65.90000110E153E153-S171 PolarHBondContact N-O 3.45Å; E153-S171 PolarHBondContact O-N 3.18Å
172I90.9Very high91.1Very high10 Ų1051.9 Ų51.95%0.05126%0.255CS..EExtended strand (participates in β ladder)trans-123.5128.7173.8-70.2154.7000109.2V136 I142 L144 R151 L152 V174 F207 F213V136-I172 HydrophobicContact CG1-CD1 4Å; I142-I172 HydrophobicContact CB-CD1 4.48Å; I142-I172 HydrophobicContact CD1-CD1 3.79Å; I142-I172 HydrophobicContact CG2-CD1 3.85Å; L144-I172 HydrophobicContact CD1-CD1 4.19Å; L144-I172 HydrophobicContact CD2-CD1 3.97Å; L144-I172 HydrophobicContact CD2-CG1 4.42Å; L144-I172 HydrophobicContact CG-CD1 4.39Å; R151-I172 HydrophobicContact CB-CG2 4.34Å; R151-I172 CarbonylContact O-C 3.49Å; R151-I172 WeakPolarHBondContact O-CA 3.2Å; L152-I172 HydrophobicContact CD2-CG1 3.83Å; I172-V174 HydrophobicContact CG2-CG2 4.46Å; I172-V174 PolarHBondContact O-N 3.26Å; I172-F207 HydrophobicContact CB-CZ 4.19Å; I172-F207 HydrophobicContact CD1-CE2 3.98Å; I172-F207 HydrophobicContact CD1-CZ 3.54Å; I172-F207 HydrophobicContact CG2-CZ 4.35Å; I172-F213 HydrophobicContact CB-CE2 3.94Å; I172-F213 HydrophobicContact CB-CZ 3.94Å; I172-F213 HydrophobicContact CG2-CZ 4.48Å; I172-F213 WeakPolarHBondContact O-CZ 3.35Å
173S89.6Confident90.6Very high27 Ų2749.2 Ų49.219%0.18924%0.242CC..PPolyproline II helixtrans-69.6122.1167.974.10000109.1R151 E153R151-S173 WeakPolarHBondContact CA-OG 3.22Å; R151-S173 PolarHBondContact O-N 3.29Å; E153-S173 WeakPolarHBondContact OE1-CB 3.31Å
174V84.6Confident90.1Very high30 Ų3052.5 Ų52.518%0.18226%0.255CS..PPolyproline II helixtrans-102128.7174.6-179.70000108.1I172 D178 L179 L208 F213I172-V174 HydrophobicContact CG2-CG2 4.46Å; I172-V174 PolarHBondContact O-N 3.26Å; V174-D178 HydrophobicContact CG1-CB 3.55Å; V174-L179 HydrophobicContact CG1-CD2 3.76Å; V174-L179 HydrophobicContact CG1-CG 3.77Å; V174-L208 HydrophobicContact CB-CD2 4.29Å; V174-L208 HydrophobicContact CG1-CD2 3.69Å; V174-L208 HydrophobicContact CG2-CD2 3.57Å; V174-F213 HydrophobicContact CG2-CE1 3.49Å; V174-F213 VanDerWaalsContact CG2-CE1 3.49Å; V174-F213 HydrophobicContact CG2-CZ 3.56Å
175R85Confident89.5Confident123 Ų12356.5 Ų56.546%0.46428%0.275SS..PPolyproline II helixtrans-81.8153.3-179.4-63.1178.2178140.97.6109.6E150 L177 D178 L179E150-R175 IonicContact OE1-CZ 2.69Å; E150-R175 IonicContact OE1-NH1 3.51Å; E150-R175 IonicContact OE1-NH2 3.23Å; E150-R175 PolarHBondContact OE1-NH2 3.38Å; R175-L177 PolarHBondContact O-N 3.26Å; R175-L177 VanDerWaalsContact O-N 3.1Å; R175-D178 PolarHBondContact N-OD2 2.83Å; R175-D178 WeakPolarHBondContact O-CA 3.34Å; R175-D178 VanDerWaalsContact O-CB 3.31Å; R175-D178 WeakPolarHBondContact O-CB 3.34Å; R175-D178 PolarHBondContact O-N 3.14Å; R175-L179 PolarHBondContact O-N 3.31Å; R175-L179 VanDerWaalsContact O-N 3.1Å
176E87.5Confident88.5Confident173 Ų17362.5 Ų62.581%0.80830%0.298SS*.Hα-helixtrans-52.3-35.3174.8-63.4175.6169.700112.5L179 F180E176-L179 PolarHBondContact O-N 3.09Å; E176-F180 WeakPolarHBondContact O-CB 3.27Å; E176-F180 PolarHBondContact O-N 2.81Å
177L85.5Confident87.7Confident115 Ų11566.3 Ų66.360%0.60232%0.322SS*.Hα-helixtrans-66-36.8173.9-178.561.6000113.1R175 L181R175-L177 PolarHBondContact O-N 3.26Å; R175-L177 VanDerWaalsContact O-N 3.1Å; L177-L181 HydrophobicContact CD1-CD1 4.13Å; L177-L181 HydrophobicContact CD1-CG 4.14Å; L177-L181 HydrophobicContact CG-CD1 4.02Å; L177-L181 HydrophobicContact CG-CG 4.46Å; L177-L181 WeakPolarHBondContact O-CB 3.4Å; L177-L181 WeakPolarHBondContact O-CG 3.39Å; L177-L181 PolarHBondContact O-N 2.78Å
178D85.9Confident86.8Confident32 Ų3269.8 Ų69.817%0.17134%0.343CS..Hα-helixtrans-65.8-42.7175.3-60.6-45.6000110R151 V174 R175 A182R151-D178 IonicContact CZ-OD2 2.71Å; R151-D178 VanDerWaalsContact NH2-CG 3.26Å; R151-D178 IonicContact NH2-OD1 2.76Å; R151-D178 PolarHBondContact NH2-OD1 3.28Å; R151-D178 IonicContact NH2-OD2 3.83Å; R151-D178 PolarHBondContact NH2-OD2 3.32Å; V174-D178 HydrophobicContact CG1-CB 3.55Å; R175-D178 PolarHBondContact N-OD2 2.83Å; R175-D178 WeakPolarHBondContact O-CA 3.34Å; R175-D178 VanDerWaalsContact O-CB 3.31Å; R175-D178 WeakPolarHBondContact O-CB 3.34Å; R175-D178 PolarHBondContact O-N 3.14Å; D178-A182 WeakPolarHBondContact O-CB 3.22Å; D178-A182 PolarHBondContact O-N 3.45Å
179L85Confident85.4Confident58 Ų5868.1 Ų68.130%0.30434%0.341SS..Hα-helixtrans-64.9-45.2175.2-66.3175.3000111.9V174 R175 E176 A182 N183V174-L179 HydrophobicContact CG1-CD2 3.76Å; V174-L179 HydrophobicContact CG1-CG 3.77Å; R175-L179 PolarHBondContact O-N 3.31Å; R175-L179 VanDerWaalsContact O-N 3.1Å; E176-L179 PolarHBondContact O-N 3.09Å; L179-A182 PolarHBondContact O-N 3.45Å; L179-N183 WeakPolarHBondContact O-CB 3.49Å; L179-N183 PolarHBondContact O-N 2.78Å
180F87Confident83.6Confident126 Ų12673.4 Ų73.455%0.55338%0.375SS*.Hα-helixtrans-60.4-46.1176.5174.6-92.7000111.1E176 N183 F184E176-F180 WeakPolarHBondContact O-CB 3.27Å; E176-F180 PolarHBondContact O-N 2.81Å; F180-N183 PolarHBondContact O-N 2.96Å; F180-F184 HydrophobicContact CE1-CB 4.31Å; F180-F184 HydrophobicContact CZ-CD2 4.31Å; F180-F184 WeakPolarHBondContact O-CB 3.31Å; F180-F184 PolarHBondContact O-N 3.23Å
181L88.1Confident81.8Confident78 Ų7877.1 Ų77.141%0.40840%0.396SS..Hα-helixtrans-65-41.6178.3-72.8169.7000111.9L177 F184 I185L177-L181 HydrophobicContact CD1-CD1 4.13Å; L177-L181 HydrophobicContact CD1-CG 4.14Å; L177-L181 HydrophobicContact CG-CD1 4.02Å; L177-L181 HydrophobicContact CG-CG 4.46Å; L177-L181 WeakPolarHBondContact O-CB 3.4Å; L177-L181 WeakPolarHBondContact O-CG 3.39Å; L177-L181 PolarHBondContact O-N 2.78Å; L181-F184 PolarHBondContact O-N 3.07Å; L181-I185 WeakPolarHBondContact O-CB 3.44Å; L181-I185 WeakPolarHBondContact O-CD1 3.47Å; L181-I185 WeakPolarHBondContact O-CG1 3.46Å; L181-I185 PolarHBondContact O-N 2.87Å
182A81.4Confident80Confident7 Ų778.3 Ų78.36%0.05840%0.404CS..Hα-helixtrans-62.4-43.6175.200000112.3D178 L179 R186 F204 L208D178-A182 WeakPolarHBondContact O-CB 3.22Å; D178-A182 PolarHBondContact O-N 3.45Å; L179-A182 PolarHBondContact O-N 3.45Å; A182-R186 WeakPolarHBondContact O-CB 3.2Å; A182-R186 PolarHBondContact O-N 2.85Å; A182-R186 VanDerWaalsContact O-N 3.1Å; A182-F204 HydrophobicContact CB-CD1 4.29Å; A182-F204 HydrophobicContact CB-CE1 3.98Å; A182-L208 HydrophobicContact CB-CD1 3.39Å
183N83.7Confident78.1Confident65 Ų6585 Ų8535%0.34844%0.439SS..Hα-helixtrans-69.3-42.7177.2-173.463.5000111.9L179 F180 R186 T187L179-N183 WeakPolarHBondContact O-CB 3.49Å; L179-N183 PolarHBondContact O-N 2.78Å; F180-N183 PolarHBondContact O-N 2.96Å; N183-R186 WeakPolarHBondContact O-CB 3.41Å; N183-R186 PolarHBondContact O-N 3.47Å; N183-R186 PolarHBondContact OD1-NE 3.24Å; N183-R186 PolarHBondContact OD1-NH2 2.83Å; N183-T187 WeakPolarHBondContact O-CG2 3.5Å; N183-T187 PolarHBondContact O-N 2.82Å; N183-T187 PolarHBondContact O-OG1 3.3Å
184F86.4Confident76.3Confident101 Ų10192.3 Ų92.344%0.44346%0.463SS..Hα-helixtrans-55.1-56.1176179.3-94.5000110.2F180 L181 R186 T187 T188F180-F184 HydrophobicContact CE1-CB 4.31Å; F180-F184 HydrophobicContact CZ-CD2 4.31Å; F180-F184 WeakPolarHBondContact O-CB 3.31Å; F180-F184 PolarHBondContact O-N 3.23Å; L181-F184 PolarHBondContact O-N 3.07Å; F184-R186 VanDerWaalsContact C-N 3.34Å; F184-R186 PolarHBondContact O-N 3.26Å; F184-T187 CarbonylContact O-C 3.51Å; F184-T187 PolarHBondContact O-N 2.99Å; F184-T187 PolarHBondContact O-OG1 3.03Å; F184-T188 HydrophobicContact CD2-CG2 3.99Å; F184-T188 HydrophobicContact CE1-CG2 4.39Å; F184-T188 WeakPolarHBondContact CE1-OG1 3.42Å; F184-T188 HydrophobicContact CE2-CG2 3.76Å; F184-T188 HydrophobicContact CG-CG2 4.41Å; F184-T188 HydrophobicContact CZ-CG2 3.97Å; F184-T188 WeakPolarHBondContact O-CG2 3.2Å; F184-T188 PolarHBondContact O-N 3.02Å; F184-T188 PolarHBondContact O-OG1 2.95Å; F184-T188 VanDerWaalsContact O-OG1 3.06Å
185I85Confident74.6Confident85 Ų85100.5 Ų100.544%0.43650%0.499SS..Hα-helixtrans-50.6-53.8175.5-68.2164.1000110.1L181 T187 T188 D189L181-I185 WeakPolarHBondContact O-CB 3.44Å; L181-I185 WeakPolarHBondContact O-CD1 3.47Å; L181-I185 WeakPolarHBondContact O-CG1 3.46Å; L181-I185 PolarHBondContact O-N 2.87Å; I185-T187 PolarHBondContact O-N 3.2Å; I185-T187 VanDerWaalsContact O-N 3.13Å; I185-T188 PolarHBondContact O-N 2.87Å; I185-D189 VanDerWaalsContact O-CB 3.27Å; I185-D189 WeakPolarHBondContact O-CB 3.27Å; I185-D189 PolarHBondContact O-N 3.31Å
186R77.3Confident72.8Confident125 Ų125102 Ų10247%0.47252%0.517SS..Hα-helixtrans-56.4-30.3178.6-174.3-171.971.887.5-0.3114.3A182 N183 F184 Y205A182-R186 WeakPolarHBondContact O-CB 3.2Å; A182-R186 PolarHBondContact O-N 2.85Å; A182-R186 VanDerWaalsContact O-N 3.1Å; N183-R186 WeakPolarHBondContact O-CB 3.41Å; N183-R186 PolarHBondContact O-N 3.47Å; N183-R186 PolarHBondContact OD1-NE 3.24Å; N183-R186 PolarHBondContact OD1-NH2 2.83Å; F184-R186 VanDerWaalsContact C-N 3.34Å; F184-R186 PolarHBondContact O-N 3.26Å; R186-Y205 VanDerWaalsContact CD-CE2 3.43Å; R186-Y205 HydrophobicContact CG-CE2 4.46Å
187T81.9Confident70.7Confident81 Ų81100.5 Ų100.550%0.49751%0.514SS..Hα-helixtrans-98.6-9-177.556.60000114.9N183 F184 I185N183-T187 WeakPolarHBondContact O-CG2 3.5Å; N183-T187 PolarHBondContact O-N 2.82Å; N183-T187 PolarHBondContact O-OG1 3.3Å; F184-T187 CarbonylContact O-C 3.51Å; F184-T187 PolarHBondContact O-N 2.99Å; F184-T187 PolarHBondContact O-OG1 3.03Å; I185-T187 PolarHBondContact O-N 3.2Å; I185-T187 VanDerWaalsContact O-N 3.13Å
188T77.8Confident69Low72 Ų7298.3 Ų98.344%0.44250%0.503SS..Hα-helixtrans-129.87-177.172.10000113.6F184 I185 P190F184-T188 HydrophobicContact CD2-CG2 3.99Å; F184-T188 HydrophobicContact CE1-CG2 4.39Å; F184-T188 WeakPolarHBondContact CE1-OG1 3.42Å; F184-T188 HydrophobicContact CE2-CG2 3.76Å; F184-T188 HydrophobicContact CG-CG2 4.41Å; F184-T188 HydrophobicContact CZ-CG2 3.97Å; F184-T188 WeakPolarHBondContact O-CG2 3.2Å; F184-T188 PolarHBondContact O-N 3.02Å; F184-T188 PolarHBondContact O-OG1 2.95Å; F184-T188 VanDerWaalsContact O-OG1 3.06Å; I185-T188 PolarHBondContact O-N 2.87Å; T188-P190 WeakPolarHBondContact O-CD 3.47Å
189D66.3Low67.5Low68 Ų68101.3 Ų101.336%0.36453%0.526SS..  trans-77.8110.4170.2-164.4-28.8000108.6I185 D191 S192I185-D189 VanDerWaalsContact O-CB 3.27Å; I185-D189 WeakPolarHBondContact O-CB 3.27Å; I185-D189 PolarHBondContact O-N 3.31Å; D189-D191 PolarHBondContact O-N 3.46Å; D189-D191 VanDerWaalsContact O-N 3.16Å; D189-D191 PolarHBondContact OD1-N 2.74Å; D189-S192 WeakPolarHBondContact O-CB 3.44Å; D189-S192 PolarHBondContact O-N 3.24Å; D189-S192 VanDerWaalsContact O-N 3.12Å; D189-S192 PolarHBondContact O-OG 2.89Å
190P58.2Low65.9Low116 Ų116105.2 Ų105.275%0.75354%0.541SS*.THydrogen-bonded Turntrans-71.2-7.1-174.732.6-37.6000113.3T188T188-P190 WeakPolarHBondContact O-CD 3.47Å
191D58.6Low64.1Low80 Ų80100.9 Ų100.943%0.42853%0.531SS..THydrogen-bonded Turntrans-94.33.4173.7-75-63.4000112.8D189 D193 R194D189-D191 PolarHBondContact O-N 3.46Å; D189-D191 VanDerWaalsContact O-N 3.16Å; D189-D191 PolarHBondContact OD1-N 2.74Å; D191-D193 PolarHBondContact O-N 3.38Å; D191-D193 VanDerWaalsContact O-N 3.07Å; D191-R194 WeakPolarHBondContact O-CB 3.22Å; D191-R194 PolarHBondContact O-N 3.1Å; D191-R194 VanDerWaalsContact O-N 3.1Å; D191-R194 IonicContact OD1-CZ 3.13Å; D191-R194 IonicContact OD1-NE 2.77Å; D191-R194 IonicContact OD1-NH1 3.65Å; D191-R194 PolarHBondContact OD1-NH1 2.99Å; D191-R194 IonicContact OD1-NH2 3.91Å
192S53.8Low62.5Low73 Ų73102.3 Ų102.351%0.5154%0.536SS..THydrogen-bonded Turntrans-58.4-23.5-178.265.80000115.2D189 R194D189-S192 WeakPolarHBondContact O-CB 3.44Å; D189-S192 PolarHBondContact O-N 3.24Å; D189-S192 VanDerWaalsContact O-N 3.12Å; D189-S192 PolarHBondContact O-OG 2.89Å; S192-R194 PolarHBondContact O-N 3.41Å
193D51.3Low61.2Low149 Ų149106.2 Ų106.280%0.79755%0.552SS**THydrogen-bonded Turntrans-86.79.7-177.7-61.3-9000112.6D191D191-D193 PolarHBondContact O-N 3.38Å; D191-D193 VanDerWaalsContact O-N 3.07Å
194R52.2Low60.1Low182 Ų182106.5 Ų106.569%0.68755%0.55SS*.  trans-108.9104.3176.3-62.5178.8178.8166.62109.7D191 S192 D196D191-R194 WeakPolarHBondContact O-CB 3.22Å; D191-R194 PolarHBondContact O-N 3.1Å; D191-R194 VanDerWaalsContact O-N 3.1Å; D191-R194 IonicContact OD1-CZ 3.13Å; D191-R194 IonicContact OD1-NE 2.77Å; D191-R194 IonicContact OD1-NH1 3.65Å; D191-R194 PolarHBondContact OD1-NH1 2.99Å; D191-R194 IonicContact OD1-NH2 3.91Å; S192-R194 PolarHBondContact O-N 3.41Å; R194-D196 PolarHBondContact O-N 3.49Å
195E48.9Very low58.6Low202 Ų202105.9 Ų105.994%0.94455%0.545SS*.  trans-70.511.3-175.8-62-164.7119.700115.5
196D47.1Very low57.4Low154 Ų154106 Ų10682%0.82455%0.546SS*.SBendtrans-133.3129-178.9-87.9-57.2000113.2R194R194-D196 PolarHBondContact O-N 3.49Å
197D43.9Very low56.7Low142 Ų142101.1 Ų101.176%0.75953%0.528SS*.  trans61.572.9173.8-161.729.7000120
198D50.1Low55.8Low68 Ų6897.6 Ų97.636%0.36451%0.507SS..  trans-128.9117136.3-17649.1000114.9K200 G201 H202D198-K200 VanDerWaalsContact CG-N 3.3Å; D198-K200 WeakPolarHBondContact OD1-CB 3.39Å; D198-K200 WeakPolarHBondContact OD1-CG 3.46Å; D198-K200 PolarHBondContact OD1-N 3.14Å; D198-K200 IonicContact OD1-NZ 3.27Å; D198-K200 PolarHBondContact OD1-NZ 2.79Å; D198-K200 PolarHBondContact OD2-N 3.23Å; D198-G201 WeakPolarHBondContact OD2-CA 3.48Å; D198-G201 PolarHBondContact OD2-N 2.79Å; D198-H202 WeakPolarHBondContact O-CB 3.36Å
199S52.6Low54.7Low95 Ų9599.2 Ų99.266%0.66451%0.508SS*.SBendtrans-88.85174.8-64.30000114.5
200K52.8Low54.1Low141 Ų14198 Ų9861%0.61351%0.505SS*.SBendtrans-110.5-59.8-166.8-55.3174.9-153.583.80112.9D198D198-K200 VanDerWaalsContact CG-N 3.3Å; D198-K200 WeakPolarHBondContact OD1-CB 3.39Å; D198-K200 WeakPolarHBondContact OD1-CG 3.46Å; D198-K200 PolarHBondContact OD1-N 3.14Å; D198-K200 IonicContact OD1-NZ 3.27Å; D198-K200 PolarHBondContact OD1-NZ 2.79Å; D198-K200 PolarHBondContact OD2-N 3.23Å
201G49.1Very low53.3Low34 Ų3498.7 Ų98.735%0.35151%0.509SS..Hα-helixtrans-64.7-43.7171.900000111.4D198 F203 F204 Y205D198-G201 WeakPolarHBondContact OD2-CA 3.48Å; D198-G201 PolarHBondContact OD2-N 2.79Å; G201-F203 PolarHBondContact O-N 3.43Å; G201-F204 PolarHBondContact O-N 3.19Å; G201-F204 VanDerWaalsContact O-N 3.09Å; G201-Y205 WeakPolarHBondContact O-CB 3.06Å; G201-Y205 PolarHBondContact O-N 2.89Å
202H53.8Low52.8Low109 Ų109102.2 Ų102.251%0.50553%0.528SS..Hα-helixtrans-56.2-35179.1-172.6-144000113.2D198 L206D198-H202 WeakPolarHBondContact O-CB 3.36Å; H202-L206 WeakPolarHBondContact NE2-CD1 3.27Å; H202-L206 WeakPolarHBondContact NE2-CG 3.29Å; H202-L206 VanDerWaalsContact O-CB 3.26Å; H202-L206 WeakPolarHBondContact O-CB 3.43Å; H202-L206 VanDerWaalsContact O-CG 3.28Å; H202-L206 WeakPolarHBondContact O-CG 3.19Å; H202-L206 PolarHBondContact O-N 3.42Å
203F54.5Low52.4Low88 Ų8899.7 Ų99.739%0.38651%0.508SS..Hα-helixtrans-70.7-39.4177.4-171.1-92.3000113.2G141 G201 F207G141-F203 VanDerWaalsContact O-CE1 3.23Å; G141-F203 WeakPolarHBondContact O-CE1 3.41Å; G141-F203 VanDerWaalsContact O-CZ 3.24Å; G141-F203 WeakPolarHBondContact O-CZ 3.48Å; G201-F203 PolarHBondContact O-N 3.43Å; F203-F207 WeakPolarHBondContact O-CB 3.48Å; F203-F207 PolarHBondContact O-N 2.86Å
204F60.3Low51.8Low71 Ų7197.1 Ų97.131%0.31150%0.502SS..Hα-helixtrans-70.6-38.3176-169.8-115000111.1A182 G201 F207 L208A182-F204 HydrophobicContact CB-CD1 4.29Å; A182-F204 HydrophobicContact CB-CE1 3.98Å; G201-F204 PolarHBondContact O-N 3.19Å; G201-F204 VanDerWaalsContact O-N 3.09Å; F204-F207 PolarHBondContact O-N 2.67Å; F204-L208 HydrophobicContact CD1-CD1 4.05Å; F204-L208 HydrophobicContact CE1-CD1 3.63Å; F204-L208 HydrophobicContact CZ-CD1 3.92Å; F204-L208 WeakPolarHBondContact O-CG 3.37Å; F204-L208 PolarHBondContact O-N 2.98Å; F204-L208 VanDerWaalsContact O-N 3.12Å
205Y55.5Low51.2Low89 Ų8991.1 Ų91.135%0.34949%0.486SS..Hα-helixtrans-64.4-53.1174.9-175.6-104.1000112.5R186 G201 F207 L208 F209R186-Y205 VanDerWaalsContact CD-CE2 3.43Å; R186-Y205 HydrophobicContact CG-CE2 4.46Å; G201-Y205 WeakPolarHBondContact O-CB 3.06Å; G201-Y205 PolarHBondContact O-N 2.89Å; Y205-F207 PolarHBondContact O-N 3.33Å; Y205-F207 VanDerWaalsContact O-N 3.13Å; Y205-L208 PolarHBondContact O-N 3.37Å; Y205-L208 VanDerWaalsContact O-N 3.15Å; Y205-F209 AromaticContact CD2-CD2 3.36Å; Y205-F209 HydrophobicContact CD2-CD2 3.36Å; Y205-F209 AromaticContact CD2-CE2 3.56Å; Y205-F209 HydrophobicContact CD2-CE2 3.56Å; Y205-F209 HydrophobicContact CD2-CG 4.41Å; Y205-F209 AromaticContact CE2-CD2 3.23Å; Y205-F209 HydrophobicContact CE2-CD2 3.23Å; Y205-F209 AromaticContact CE2-CE2 3.37Å; Y205-F209 HydrophobicContact CE2-CE2 3.37Å; Y205-F209 AromaticContact CE2-CG 3.97Å; Y205-F209 HydrophobicContact CE2-CG 3.97Å; Y205-F209 HydrophobicContact CE2-CZ 4.2Å; Y205-F209 HydrophobicContact CG-CD2 4.08Å; Y205-F209 AromaticContact CZ-CD2 3.89Å; Y205-F209 WeakPolarHBondContact O-CD2 3.41Å; Y205-F209 PolarHBondContact O-N 3.25Å
206L59.7Low50.4Low86 Ų8690.9 Ų90.945%0.4548%0.478SS..Hα-helixtrans-58.9-25.6175.7-78-179.9000113.5H202 S210H202-L206 WeakPolarHBondContact NE2-CD1 3.27Å; H202-L206 WeakPolarHBondContact NE2-CG 3.29Å; H202-L206 VanDerWaalsContact O-CB 3.26Å; H202-L206 WeakPolarHBondContact O-CB 3.43Å; H202-L206 VanDerWaalsContact O-CG 3.28Å; H202-L206 WeakPolarHBondContact O-CG 3.19Å; H202-L206 PolarHBondContact O-N 3.42Å; L206-S210 WeakPolarHBondContact O-CA 3.4Å; L206-S210 WeakPolarHBondContact O-CB 3.29Å; L206-S210 PolarHBondContact O-N 3.2Å; L206-S210 PolarHBondContact O-OG 3.33Å
207F61.9Low49.8Very low23 Ų2390 Ų9010%0.10147%0.472CS..Hα-helixtrans-72.7-52.6173.7165-117.1000111.4I142 I172 F203 F204 Y205 F209 F213I142-F207 HydrophobicContact CD1-CD2 3.52Å; I142-F207 HydrophobicContact CD1-CE2 3.23Å; I142-F207 HydrophobicContact CD1-CG 4.49Å; I142-F207 HydrophobicContact CD1-CZ 3.99Å; I142-F207 HydrophobicContact CG1-CD2 3.67Å; I142-F207 HydrophobicContact CG1-CE2 3.8Å; I142-F207 HydrophobicContact CG1-CG 4.21Å; I142-F207 HydrophobicContact CG1-CZ 4.41Å; I142-F207 HydrophobicContact CG2-CD1 4.31Å; I142-F207 HydrophobicContact CG2-CD2 4.48Å; I142-F207 HydrophobicContact CG2-CE1 4Å; I142-F207 HydrophobicContact CG2-CE2 4.2Å; I142-F207 HydrophobicContact CG2-CZ 3.96Å; I172-F207 HydrophobicContact CB-CZ 4.19Å; I172-F207 HydrophobicContact CD1-CE2 3.98Å; I172-F207 HydrophobicContact CD1-CZ 3.54Å; I172-F207 HydrophobicContact CG2-CZ 4.35Å; F203-F207 WeakPolarHBondContact O-CB 3.48Å; F203-F207 PolarHBondContact O-N 2.86Å; F204-F207 PolarHBondContact O-N 2.67Å; Y205-F207 PolarHBondContact O-N 3.33Å; Y205-F207 VanDerWaalsContact O-N 3.13Å; F207-F209 PolarHBondContact O-N 2.85Å; F207-F213 HydrophobicContact CD2-CD2 4.29Å; F207-F213 HydrophobicContact CD2-CE2 4.35Å; F207-F213 HydrophobicContact CE1-CZ 4.36Å; F207-F213 AromaticContact CE2-CD2 3.56Å; F207-F213 HydrophobicContact CE2-CD2 3.56Å; F207-F213 AromaticContact CE2-CE2 3.27Å; F207-F213 HydrophobicContact CE2-CE2 3.27Å; F207-F213 HydrophobicContact CE2-CG 4.32Å; F207-F213 AromaticContact CE2-CZ 3.83Å; F207-F213 HydrophobicContact CE2-CZ 3.83Å; F207-F213 HydrophobicContact CZ-CD2 4.14Å; F207-F213 HydrophobicContact CZ-CE1 4.33Å; F207-F213 AromaticContact CZ-CE2 3.42Å; F207-F213 HydrophobicContact CZ-CE2 3.42Å; F207-F213 VanDerWaalsContact CZ-CE2 3.42Å; F207-F213 AromaticContact CZ-CZ 3.51Å; F207-F213 HydrophobicContact CZ-CZ 3.51Å
208L62.4Low49.1Very low8 Ų890 Ų904%0.04247%0.473CS..Hα-helixtrans-68.4-31.7-177.8-66-179.4000113.6V174 A182 F204 Y205V174-L208 HydrophobicContact CB-CD2 4.29Å; V174-L208 HydrophobicContact CG1-CD2 3.69Å; V174-L208 HydrophobicContact CG2-CD2 3.57Å; A182-L208 HydrophobicContact CB-CD1 3.39Å; F204-L208 HydrophobicContact CD1-CD1 4.05Å; F204-L208 HydrophobicContact CE1-CD1 3.63Å; F204-L208 HydrophobicContact CZ-CD1 3.92Å; F204-L208 WeakPolarHBondContact O-CG 3.37Å; F204-L208 PolarHBondContact O-N 2.98Å; F204-L208 VanDerWaalsContact O-N 3.12Å; Y205-L208 PolarHBondContact O-N 3.37Å; Y205-L208 VanDerWaalsContact O-N 3.15Å
209F56Low48Very low105 Ų10591.5 Ų91.546%0.46149%0.489SS..THydrogen-bonded Turntrans-108.320.1-178.4-62.5-83.8000112.9Y205 F207Y205-F209 AromaticContact CD2-CD2 3.36Å; Y205-F209 HydrophobicContact CD2-CD2 3.36Å; Y205-F209 AromaticContact CD2-CE2 3.56Å; Y205-F209 HydrophobicContact CD2-CE2 3.56Å; Y205-F209 HydrophobicContact CD2-CG 4.41Å; Y205-F209 AromaticContact CE2-CD2 3.23Å; Y205-F209 HydrophobicContact CE2-CD2 3.23Å; Y205-F209 AromaticContact CE2-CE2 3.37Å; Y205-F209 HydrophobicContact CE2-CE2 3.37Å; Y205-F209 AromaticContact CE2-CG 3.97Å; Y205-F209 HydrophobicContact CE2-CG 3.97Å; Y205-F209 HydrophobicContact CE2-CZ 4.2Å; Y205-F209 HydrophobicContact CG-CD2 4.08Å; Y205-F209 AromaticContact CZ-CD2 3.89Å; Y205-F209 WeakPolarHBondContact O-CD2 3.41Å; Y205-F209 PolarHBondContact O-N 3.25Å; F207-F209 PolarHBondContact O-N 2.85Å
210S52.6Low47Very low43 Ų4393.3 Ų93.330%0.30150%0.495SS..  trans-68.5135.3171.6-103.90000110.9L206 N212 F213L206-S210 WeakPolarHBondContact O-CA 3.4Å; L206-S210 WeakPolarHBondContact O-CB 3.29Å; L206-S210 PolarHBondContact O-N 3.2Å; L206-S210 PolarHBondContact O-OG 3.33Å; S210-N212 PolarHBondContact O-N 2.83Å; S210-N212 VanDerWaalsContact O-N 3.11Å; S210-F213 CarbonylContact O-C 3.58Å; S210-F213 WeakPolarHBondContact O-CA 3.42Å; S210-F213 VanDerWaalsContact O-CB 3.27Å; S210-F213 WeakPolarHBondContact O-CB 3.45Å; S210-F213 PolarHBondContact O-N 3.43Å
211P42Very low45.9Very low131 Ų13193.1 Ų93.185%0.85150%0.501SS*.THydrogen-bonded Turntrans-66.9-13.9174.426.8-34.6000113.6F213P211-F213 PolarHBondContact O-N 3.04Å
212N48.2Very low45.1Very low153 Ų15399.3 Ų99.382%0.81853%0.526SS*.THydrogen-bonded Turntrans-84.89.8168.5-64.9-82.5000112.9S210S210-N212 PolarHBondContact O-N 2.83Å; S210-N212 VanDerWaalsContact O-N 3.11Å
213F45.6Very low44Very low21 Ų21100.9 Ų100.99%0.09254%0.538CS..  trans-134.583-175.2-163-90.5000108.1I172 V174 F207 S210 P211 P215I172-F213 HydrophobicContact CB-CE2 3.94Å; I172-F213 HydrophobicContact CB-CZ 3.94Å; I172-F213 HydrophobicContact CG2-CZ 4.48Å; I172-F213 WeakPolarHBondContact O-CZ 3.35Å; V174-F213 HydrophobicContact CG2-CE1 3.49Å; V174-F213 VanDerWaalsContact CG2-CE1 3.49Å; V174-F213 HydrophobicContact CG2-CZ 3.56Å; F207-F213 HydrophobicContact CD2-CD2 4.29Å; F207-F213 HydrophobicContact CD2-CE2 4.35Å; F207-F213 HydrophobicContact CE1-CZ 4.36Å; F207-F213 AromaticContact CE2-CD2 3.56Å; F207-F213 HydrophobicContact CE2-CD2 3.56Å; F207-F213 AromaticContact CE2-CE2 3.27Å; F207-F213 HydrophobicContact CE2-CE2 3.27Å; F207-F213 HydrophobicContact CE2-CG 4.32Å; F207-F213 AromaticContact CE2-CZ 3.83Å; F207-F213 HydrophobicContact CE2-CZ 3.83Å; F207-F213 HydrophobicContact CZ-CD2 4.14Å; F207-F213 HydrophobicContact CZ-CE1 4.33Å; F207-F213 AromaticContact CZ-CE2 3.42Å; F207-F213 HydrophobicContact CZ-CE2 3.42Å; F207-F213 VanDerWaalsContact CZ-CE2 3.42Å; F207-F213 AromaticContact CZ-CZ 3.51Å; F207-F213 HydrophobicContact CZ-CZ 3.51Å; S210-F213 CarbonylContact O-C 3.58Å; S210-F213 WeakPolarHBondContact O-CA 3.42Å; S210-F213 VanDerWaalsContact O-CB 3.27Å; S210-F213 WeakPolarHBondContact O-CB 3.45Å; S210-F213 PolarHBondContact O-N 3.43Å; P211-F213 PolarHBondContact O-N 3.04Å; F213-P215 WeakPolarHBondContact O-CD 3.38Å
214S39.4Very low42.9Very low95 Ų95104.9 Ų104.966%0.66456%0.564SS**  trans-82.1108.6172.8-177.40000109.2Y216S214-Y216 PolarHBondContact O-N 3.24Å
215P39.8Very low41.6Very low56 Ų56105.3 Ų105.336%0.36458%0.58SS.*  trans-67.7126160.530.3-33000107.9F213 L217F213-P215 WeakPolarHBondContact O-CD 3.38Å; P215-L217 PolarHBondContact O-N 3.31Å
216Y31.9Very low40.5Very low197 Ų197107.4 Ų107.477%0.77360%0.602SS**SBendtrans-63.8100-174.9-173.1-94.9000111.4S214S214-Y216 PolarHBondContact O-N 3.24Å
217L34.4Very low39.3Very low134 Ų134108.2 Ų108.270%0.70262%0.615SS**  trans-130.87-177.1-109.6170.5000114.3P215 S219P215-L217 PolarHBondContact O-N 3.31Å; L217-S219 VanDerWaalsContact C-N 3.26Å; L217-S219 PolarHBondContact O-N 3.22Å
218D27.9Very low37.9Very low143 Ų143113.4 Ų113.477%0.76565%0.649SS**THydrogen-bonded Turntrans-81.859.4177.9-67.3-44000112.6
219S28.1Very low36.6Very low100 Ų100118.6 Ų118.670%0.69968%0.683SS**THydrogen-bonded Turntrans-158.233.4170.8-125.60000117.5L217L217-S219 VanDerWaalsContact C-N 3.26Å; L217-S219 PolarHBondContact O-N 3.22Å
220V31.9Very low35.4Very low132 Ų132118.5 Ų118.580%0.869%0.693SS**SBendtrans-135.6122.3157.5-173.20000110.5N222V220-N222 PolarHBondContact O-N 3.39Å
221N29.4Very low34.5Very low138 Ų138123.4 Ų123.474%0.73872%0.715SS**  trans-36.2127.4-178.7-55.4-29000115.7
222N32.1Very low34Very low163 Ų163126.7 Ų126.787%0.87272%0.719SS**  trans-134.5123.7136-91.3-54.1000108.7V220 D224V220-N222 PolarHBondContact O-N 3.39Å; N222-D224 PolarHBondContact O-N 3.16Å
223N31.3Very low33.1Very low143 Ų143125.8 Ų125.877%0.76572%0.719SS**  trans-90.295.3179.9-62.9-49.9000109.5A225N223-A225 PolarHBondContact O-N 3.42Å
224D30.9Very low32.5Very low172 Ų172132.7 Ų132.792%0.9276%0.755SS**  trans-85.767.8153.1-97.4-45.9000108.9N222N222-D224 PolarHBondContact O-N 3.16Å
225A32.1Very low32Very low80 Ų80131.9 Ų131.966%0.66176%0.762SS**  trans-76.7136.2160.900000108.4N223N223-A225 PolarHBondContact O-N 3.42Å
226T33.5Very low31.6Very low132 Ų132133 Ų13381%0.8178%0.784SS**SBendtrans-62.5150.3175.737.10000112.2
227S34.1Very low31.6Very low103 Ų103133 Ų13372%0.7279%0.788SS**  trans61.7103.1174.9450000117.4
228V33.2Very low31.4Very low133 Ų133133.2 Ų133.281%0.80680%0.795SS**  60.4125.173177.30000113.6
229P33.4Very low31.8Very low116 Ų116131.4 Ų131.475%0.75379%0.794SS**  cis-130.7-132-19.934.6-10.1000112.9
230P31.4Very low31.8Very low104 Ų104133.6 Ų133.668%0.67580%0.797SS**  -122.2-179.3-120.641.3-22.5000117.1
231N33.4Very low31.9Very low145 Ų145138 Ų13878%0.77580%0.801SS**  trans62.9104.5164-71.8-20.8000118.7
232Q32.9Very low32.1Very low200 Ų200136.3 Ų136.394%0.93580%0.799SS**  -164.9177.4102.5-107169.582.500113.4
233V28.8Very low32.2Very low134 Ų134133.7 Ų133.781%0.81279%0.794SS**  trans-110.9173.7-164.7-1750000110.6
234I33.4Very low32.7Very low166 Ų166132.8 Ų132.885%0.85180%0.796SS**  trans105.1132.2164.9-55.4161.8000113.1
235G28.5Very low32.9Very low78 Ų78134.1 Ų134.180%0.80479%0.794SS**  trans-113.4174.2-17500000114.3
236G31.7Very low33.1Very low81 Ų81138.1 Ų138.184%0.83580%0.804SS**  trans-140.9167.717800000112
237K31.3Very low33.6Very low197 Ų197136.5 Ų136.586%0.85780%0.796SS**  trans-118.1151.6-171.8-67.7179.1178175.90112.6
238T31.3Very low33.8Very low137 Ų137137.7 Ų137.784%0.8480%0.799SS**  trans51129.6146.3520000120.7
239S34.6Very low34.2Very low106 Ų106140.8 Ų140.874%0.74180%0.801SS**  -173.9124.1117.5-158.80000115.5
240L29.4Very low34.3Very low146 Ų146146.6 Ų146.676%0.76481%0.808SS**  trans22.8128.8137.5-51.8173.2000123
241Y33.8Very low34.6Very low224 Ų224146.2 Ų146.288%0.87881%0.808SS**  trans-157.2107.3132.3-114-87.3000106.6
242S34.2Very low35.1Very low102 Ų102145.1 Ų145.171%0.71381%0.807SS**  79122.465.1-64.30000113.7
243S32.8Very low35.5Very low109 Ų109141.4 Ų141.476%0.76280%0.8SS**  trans-140.9138-172.41600000111.6
244P42.8Very low36Very low124 Ų124142.6 Ų142.681%0.80580%0.802SS**  trans-89.7158.4167.3-6.125.6000113
245K34.9Very low36.1Very low200 Ų200143.5 Ų143.587%0.8780%0.8SS**  trans-122.8154.9170.6-59172.4-178.8172.70109.1
246D35.9Very low36.5Very low163 Ų163146.4 Ų146.487%0.87280%0.802SS**  trans-155.1148.2145.8-123-23.3000112.2
247P43Very low36.6Very low98 Ų98147.3 Ų147.364%0.63680%0.795SS**  trans-123.1171.7-17541.2-28.6000115
248T40.2Very low36.6Very low129 Ų129142.7 Ų142.779%0.79179%0.794SS**  163.5166.1128.940.60000113.7
249K40Very low36.7Very low197 Ų197142.6 Ų142.686%0.85779%0.793SS**  trans76.7114.7179.2-54.6176.4-177.3175.10113.9
250R35.7Very low36.4Very low238 Ų238145.3 Ų145.390%0.89879%0.794SS**  cis69.6122.935.2-169.9-170.8-86.4-122.32.5112.2
251S38.1Very low36.5Very low96 Ų96146.9 Ų146.967%0.67180%0.797SS**  cis-158.3-164.1-14.248.90000107.5
252T44.2Very low36.1Very low122 Ų122140.1 Ų140.175%0.74878%0.783SS**  cis-162.3152.618-310000109
253P40.8Very low36Very low122 Ų122144.7 Ų144.779%0.79279%0.79SS**  trans-101169.7-177.539.3-35.7000114.5
254D39.9Very low35.9Very low160 Ų160147 Ų14786%0.85679%0.794SS**  trans-141.4169.3167.4-141.3-28.2000113.3
255K34.9Very low35.5Very low184 Ų184144 Ų14480%0.879%0.785SS**  trans-120.5150.1-159.2-56.7168.6-1771690114.7
256T36.4Very low35.3Very low139 Ų139140.7 Ų140.785%0.85378%0.784SS**  trans170.3154.5143.524.70000110
257S34.3Very low35.2Very low100 Ų100140.3 Ų140.370%0.69978%0.78SS**  cis-173.7132.9-34.148.40000110.9
258A32.1Very low34.6Very low100 Ų100141.8 Ų141.883%0.82679%0.788SS**  trans62.9166.5167.200000116.2
259V32.7Very low34.4Very low136 Ų136143 Ų14382%0.82479%0.789SS**  cis-130.9146.99.71740000110.8
260H27.7Very low33.9Very low163 Ų163142.5 Ų142.576%0.75579%0.787SS**  trans-78147.3172.2-109.6-104.4000112.6
261Q31.3Very low33.6Very low179 Ų179138.1 Ų138.184%0.83678%0.781SS**  trans-151.7120.3140.6-122.6167.352.100111.2
262S27.3Very low33.3Very low82 Ų82140.2 Ų140.257%0.57378%0.784SS**  trans-98147.1175.9-500000109.6
263F31.5Very low32.7Very low197 Ų197143 Ų14386%0.86479%0.789SS**  trans-140.596.6166.2-105.4-80000109.5
264D31.2Very low32.1Very low159 Ų159148.4 Ų148.485%0.8580%0.795SS**  trans-80.5137.1166.4-70.3-70.3000109.8
265G33.6Very low31.6Very low59 Ų59151.2 Ų151.261%0.60879%0.794SS**  trans178.8111.1-178.900000111.3I267G265-I267 PolarHBondContact O-N 3.13Å
266P30.3Very low31.4Very low132 Ų132152 Ų15286%0.85779%0.791SS**  trans-77.4119.9-175.130-33.4000111.1
267I34.2Very low31.2Very low154 Ų154151.2 Ų151.279%0.7979%0.789SS**  trans-112.397169.5-59.4-178.9000108.6G265 N269G265-I267 PolarHBondContact O-N 3.13Å; I267-N269 PolarHBondContact O-N 3.11Å
268T30.7Very low31.4Very low130 Ų130153.4 Ų153.480%0.79879%0.788SS**  trans-66.3128.116553.10000109.5
269N34.6Very low31.4Very low153 Ų153156 Ų15682%0.81879%0.788SS**  trans-144.4130155.1-120.9-35.5000110.9I267I267-N269 PolarHBondContact O-N 3.11Å
270K29.8Very low31.4Very low188 Ų188158.1 Ų158.182%0.81779%0.794SS**  trans-76.4141.4173.8-59.3171.6-178.9175.90107.9
271L31.1Very low31.8Very low146 Ų146154.8 Ų154.876%0.76479%0.794SS**  -166.7140.5120.4-122.666.7000111.1
272D30.9Very low31.9Very low139 Ų139152.9 Ų152.974%0.74380%0.797SS**  trans56.6115.3154.3-50.8-26000121.1Y274D272-Y274 PolarHBondContact O-N 3.21Å
273H30.6Very low32.2Very low180 Ų180152 Ų15283%0.83380%0.801SS**  trans-70.3119170.5-61.9-41.3000112.1R275H273-R275 PolarHBondContact O-N 3.33Å
274Y28.3Very low32.4Very low237 Ų237150.6 Ų150.693%0.92980%0.8SS**  trans-8190.7144.9-109-96.4000108.7D272 R276D272-Y274 PolarHBondContact O-N 3.21Å; Y274-R276 PolarHBondContact O-N 3.35Å
275R30.2Very low32.5Very low219 Ų219148.2 Ų148.283%0.82680%0.795SS**  trans-67101.4175.4177.6-177.6-83.1173.6-6.7108.9H273 P277H273-R275 PolarHBondContact O-N 3.33Å; R275-P277 WeakPolarHBondContact O-CD 3.49Å
276R30.1Very low32.4Very low200 Ų200154.8 Ų154.876%0.75581%0.807SS**  trans-60.2123.1167.4178.3-170.2-81.7-173.8-6.2108.5Y274 Q278Y274-R276 PolarHBondContact O-N 3.35Å; R276-Q278 PolarHBondContact O-N 3.04Å
277P33.6Very low32.3Very low122 Ų122156.3 Ų156.379%0.79281%0.807SS**  trans-62.4122166.7-20.233.6000109.4R275R275-P277 WeakPolarHBondContact O-CD 3.49Å
278Q38.3Very low32.1Very low147 Ų147155.7 Ų155.769%0.68781%0.805SS**  trans-108.8166.5158.4-62.5-176.34800106.5R276R276-Q278 PolarHBondContact O-N 3.04Å
279D31Very low32.1Very low154 Ų154157.7 Ų157.782%0.82481%0.809SS**  trans65.166.8170-46.9-33.8000116.9
280L32.8Very low32Very low181 Ų181154.3 Ų154.395%0.94880%0.803SS**  trans-117.9121.9139.7-84.6170.4000108.9
281A35.5Very low32.2Very low93 Ų93151.9 Ų151.977%0.76980%0.804SS**  trans-78.9154.6-172.600000112.8
282P34.1Very low32.3Very low138 Ų138154.3 Ų154.390%0.89681%0.811SS**SBendtrans-77.8125.6-174.830.6-34.9000112.8
283G34.3Very low32.6Very low64 Ų64152.5 Ų152.566%0.6682%0.816SS**  trans169.3168.9174.600000111.8
284M36.1Very low32.7Very low168 Ų168148 Ų14883%0.82882%0.818SS**  trans61.485.4-177.3-55.5-65.198.800113.4
285S32.1Very low33.2Very low108 Ų108141.4 Ų141.476%0.75581%0.812SS**  87.9134.176.9-73.90000113.6
286K30.9Very low33.4Very low197 Ų197139.6 Ų139.686%0.85781%0.813SS**PPolyproline II helixtrans-54.1134.2-178.3-57.4168.3-179.71770111.9
287L30.2Very low33.8Very low164 Ų164135.8 Ų135.886%0.85982%0.815SS**PPolyproline II helixtrans-98.7126.2150.3-126.979.1000108.4
288L29.9Very low33.9Very low142 Ų142136.4 Ų136.474%0.74382%0.816SS**PPolyproline II helixtrans-78.8143.9161.5-84.876.3000108.4
289L30.3Very low34.1Very low171 Ų171136.2 Ų136.290%0.89583%0.825SS**  trans-106123.1150.2-133.873.7000107.1
290A32.1Very low34.6Very low82 Ų82133.6 Ų133.668%0.67882%0.819SS**PPolyproline II helixtrans-83.9137.3-171.400000111.6H292A290-H292 PolarHBondContact O-N 2.86Å
291T33.1Very low34.9Very low137 Ų137132.9 Ų132.984%0.8481%0.808SS**PPolyproline II helixtrans-77.3119169.3490000109.8A293T291-A293 PolarHBondContact O-N 3.24Å
292H34.7Very low35.1Very low197 Ų197135 Ų13591%0.91280%0.802SS**PPolyproline II helixtrans-69118.9175-77.8-91.9000111.6A290A290-H292 PolarHBondContact O-N 2.86Å
293A35.9Very low35.4Very low102 Ų102134.8 Ų134.884%0.84379%0.793SS**  trans-133.6103.4162.300000107.8T291T291-A293 PolarHBondContact O-N 3.24Å
294G33.6Very low35.5Very low86 Ų86136.9 Ų136.989%0.88780%0.797SS**  trans-116.2113-177.100000111.2
295A39Very low35.9Very low98 Ų98133.2 Ų133.281%0.8179%0.793SS**  trans-122.5126176.800000110.6
296Q34.2Very low36.5Very low180 Ų180133.9 Ų133.984%0.84180%0.795SS**  trans35.3121.9165.8-60.9-165.7-2.900120.2
297P38Very low36.9Very low121 Ų121132.2 Ų132.279%0.78679%0.794SS**  trans-82.7143.4160.134.7-31.6000111.5
298T36.5Very low37.5Very low134 Ų134130 Ų13082%0.82279%0.788SS**  trans-122137.6160.650.50000109
299V42.9Very low38Very low144 Ų144135.2 Ų135.287%0.87380%0.798SS**  trans-138.7138.7179.4-179.20000108.6
300S39.9Very low38.8Very low99 Ų99132.4 Ų132.469%0.69279%0.79SS**  trans-114.4139.4-177.653.50000112.2
301K38.9Very low39.5Very low166 Ų166133.2 Ų133.272%0.72279%0.79SS**  trans29.1138.4136.5-60.9-176.6145.8-76.10118.7
302E40.9Very low40Very low136 Ų136133.1 Ų133.164%0.63679%0.785SS**  cis-162.6178.512.4-139.997.2-107.700107
303D39.6Very low40.5Very low134 Ų134131 Ų13172%0.71778%0.78SS**  cis-158.6177.6-4-157.3-11000109.2
304C37.6Very low40.9Very low109 Ų109131.1 Ų131.174%0.73678%0.775SS**  trans65.3139.6158.8-77.70000119.7
305A44.6Very low41.2Very low91 Ų91130.6 Ų130.675%0.75277%0.77SS**  cis-159.2159.1-14.500000109.9
306P42.9Very low41.5Very low121 Ų121137.9 Ų137.979%0.78678%0.776SS**  trans-120.9153-165.239.9-28.4000116.7
307L40.5Very low41.7Very low163 Ų163137 Ų13785%0.85378%0.776SS**  trans-143.4111.2162-81-176.7000115.5
308T41.6Very low42.3Very low118 Ų118136 Ų13672%0.72477%0.77SS**  trans55.494.9132.759.50000124.4
309R42Very low42.8Very low250 Ų250137.8 Ų137.894%0.94377%0.769SS**  61.8162.5104.9-80.8-157171.2-165.6-1.5123.2
310P47.3Very low42.7Very low113 Ų113137.7 Ų137.773%0.73476%0.763SS**  trans-126.7-167.7-147.447.1-34.4000115.7
311S46.7Very low42.7Very low98 Ų98139.4 Ų139.469%0.68577%0.774SS**  trans-176.9132.6130.9-104.50000116.9
312D43.5Very low42.9Very low135 Ų135138.6 Ų138.672%0.72278%0.783SS**  58.6155.5128.3-55-49.6000127.8
313N43.7Very low43.1Very low152 Ų152135.5 Ų135.581%0.81379%0.788SS**  trans88.4147.7160.2-71.4-27.4000120.7
314S44.4Very low43.2Very low106 Ų106139.9 Ų139.974%0.74179%0.794SS**  cis172.3142.6-32.554.80000109.2
315G41.5Very low43.4Very low75 Ų75141.4 Ų141.477%0.77379%0.794SS**  trans149.2110.3153.300000122.3
316R43.6Very low43.5Very low250 Ų250142.2 Ų142.294%0.94379%0.794SS**  trans77156.8144.1-68-175.4175.3-110.6-1.5122.4
317L38.8Very low43.7Very low161 Ų161142.5 Ų142.584%0.84380%0.796SS**  trans-155.4-169.3-167.7-82.7164.3000106.5
318P50.7Low44.2Very low102 Ų102141.3 Ų141.366%0.66280%0.8SS**  -129.4-172.4-60.838.8-22.8000112
319Q46.6Very low44.3Very low170 Ų170143.2 Ų143.279%0.79481%0.805SS**  171.3133.7124.3-93.4178.618.100116.1
320N40.8Very low44.5Very low142 Ų142142 Ų14276%0.75980%0.8SS**  trans18.5136.4144.7-53.9-10.3000123.2
321C41.1Very low44.8Very low135 Ų135146 Ų14691%0.91283%0.831SS**  -166173.1110-113.50000113.2
322V43.3Very low44.7Very low149 Ų149148.4 Ų148.490%0.90384%0.838SS**  trans-127.8145.9-162.5-177.70000112.9
323G44.3Very low44.7Very low72 Ų72149.1 Ų149.174%0.74284%0.844SS**  trans-158160.9173.300000113.3
324R40.8Very low44.8Very low226 Ų226148.9 Ų148.985%0.85385%0.846SS**  trans-144.1146.7-169.2-106.7-170.4-179.1-149.84.2115
325L42.8Very low44.8Very low141 Ų141151.5 Ų151.574%0.73885%0.852SS**  trans75.2138.2142.1-74.3171.4000123.6
326S46.2Very low45Very low107 Ų107156.3 Ų156.375%0.74886%0.857SS**  trans91.2135.9144.4-64.50000121
327P47.7Very low45.1Very low127 Ų127150 Ų15083%0.82585%0.851SS**  trans-99.5163177.839.7-35.3000114.1
328C50.1Low45.5Very low138 Ų138149.2 Ų149.293%0.93285%0.852SS**  trans-96.2169173.4-70.30000113.2
329L44.2Very low45.1Very low159 Ų159152.8 Ų152.883%0.83287%0.866SS**  trans-137.8154.8-166.9-149.8159.8000110.1
330R45.8Very low45Very low224 Ų224151.4 Ų151.485%0.84587%0.872SS**  trans90.3116.2172-54177.4179.4-116.90.6117
331S53.4Low45.4Very low197 Ų197152.3 Ų152.3100%1.37888%0.883SS**  -119.30108.8-63.90000108.1

Retrieved 331 of 331 residues in 180.5 ms (Link to these results)

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