A0A087XXD3_POEFO Loading...

Thioredoxin domain-containing protein 17

AlphaFold DB (A0A3B3VVZ4), UniProt , Accession A0A087XXD3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 123 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
1M43.4Very low87Confident244 Ų24472.5 Ų72.5100%1.20241%0.411SS*.  01050-64.2177.2-155.500105.3G3M1-G3 PolarHBondContact O-N 3.2Å
2A51.2Low87.9Confident59 Ų5970.9 Ų70.949%0.48839%0.394SS..  trans-83.2105.3-176.500000107.1E62A2-E62 HydrophobicContact CB-CG 3.19Å; A2-E62 WeakPolarHBondContact CB-OE1 3.32Å
3G86.4Confident88.7Confident50 Ų5078.5 Ų78.552%0.51543%0.425SS..  trans-87.7175.4-178.300000111.5M1 G63M1-G3 PolarHBondContact O-N 3.2Å; G3-G63 PolarHBondContact O-N 3.25Å
4Y93.6Very high89.4Confident83 Ų8380 Ų8033%0.32543%0.428SS..  trans-85.7154.6163.358-87.1000109.9V6 L57 L60 S64Y4-V6 HydrophobicContact CD2-CG2 3.64Å; Y4-V6 HydrophobicContact CE2-CG2 3.33Å; Y4-L57 WeakPolarHBondContact CD1-O 3.46Å; Y4-L57 HydrophobicContact CE1-CB 4.14Å; Y4-L57 WeakPolarHBondContact CE1-O 3.08Å; Y4-L57 HydrophobicContact CE2-CB 3.92Å; Y4-L57 HydrophobicContact CE2-CD1 4.19Å; Y4-L57 WeakPolarHBondContact OH-CB 3.39Å; Y4-L60 HydrophobicContact CD1-CB 4.13Å; Y4-L60 HydrophobicContact CD1-CD1 4.21Å; Y4-L60 HydrophobicContact CD2-CD1 3.77Å; Y4-L60 HydrophobicContact CE2-CD1 4.33Å; Y4-L60 HydrophobicContact CG-CB 4.15Å; Y4-L60 HydrophobicContact CG-CD1 3.71Å; Y4-S64 WeakPolarHBondContact CA-O 2.82Å
5E96.2Very high90Very high61 Ų6174.7 Ų74.729%0.28540%0.399SS..EExtended strand (participates in β ladder)trans-90.3136.4172.2-173.8-173.816000110V7 R22 K25 S64 V65 F66E5-V7 HydrophobicContact CG-CG2 4.22Å; E5-R22 IonicContact OE1-CZ 3.2Å; E5-R22 IonicContact OE1-NE 2.76Å; E5-R22 PolarHBondContact OE1-NE 2.98Å; E5-R22 IonicContact OE1-NH2 2.77Å; E5-R22 PolarHBondContact OE1-NH2 3.49Å; E5-R22 IonicContact OE2-NE 3.58Å; E5-K25 IonicContact OE2-NZ 2.8Å; E5-K25 PolarHBondContact OE2-NZ 3.12Å; E5-S64 PolarHBondContact N-O 3.4Å; E5-V65 HydrophobicContact CB-CG1 4.47Å; E5-V65 HydrophobicContact CB-CG2 4.33Å; E5-V65 CarbonylContact O-C 3.49Å; E5-V65 WeakPolarHBondContact O-CA 3.42Å; E5-F66 PolarHBondContact O-N 3.35Å
6V97.2Very high90.4Very high63 Ų6373 Ų7338%0.38239%0.394SS..EExtended strand (participates in β ladder)trans-109.4127.9172.2-1800000110.1Y4 F66Y4-V6 HydrophobicContact CD2-CG2 3.64Å; Y4-V6 HydrophobicContact CE2-CG2 3.33Å; V6-F66 CarbonylContact C-O 3.59Å; V6-F66 WeakPolarHBondContact CA-O 3.44Å; V6-F66 HydrophobicContact CG1-CD1 4.33Å
7V98Very high90.9Very high17 Ų1776.4 Ų76.410%0.10340%0.404CS..EExtended strand (participates in β ladder)trans-123.8131.7178.2-166.90000108.5E5 V9 A18 R22 V65 F66 I67 Y68E5-V7 HydrophobicContact CG-CG2 4.22Å; V7-V9 HydrophobicContact CG1-CG1 3.94Å; V7-A18 HydrophobicContact CG1-CB 4.14Å; V7-R22 VanDerWaalsContact CG2-NE 3.29Å; V7-V65 HydrophobicContact CG2-CG1 3.78Å; V7-F66 PolarHBondContact N-O 2.77Å; V7-I67 HydrophobicContact CB-CG1 4.26Å; V7-I67 HydrophobicContact CG2-CG1 4.49Å; V7-I67 CarbonylContact O-C 3.6Å; V7-I67 WeakPolarHBondContact O-CA 3.34Å; V7-Y68 PolarHBondContact O-N 3.28Å
8N98Very high91.3Very high101 Ų10172.3 Ų72.354%0.5438%0.384SS..EExtended strand (participates in β ladder)trans-111.1129.1173.4-57.2-84.1000108.2Y68N8-Y68 WeakPolarHBondContact CA-O 3.34Å; N8-Y68 WeakPolarHBondContact OD1-CB 3.11Å
9V98.3Very high91.6Very high12 Ų1269.2 Ų69.27%0.07337%0.367CS..EExtended strand (participates in β ladder)trans-136.3159.2-178.1-62.10000110.8V7 E14 F15 A18 I67 Y68 C69 Q70V7-V9 HydrophobicContact CG1-CG1 3.94Å; V9-E14 HydrophobicContact CB-CB 3.82Å; V9-E14 HydrophobicContact CG1-CB 4.21Å; V9-F15 HydrophobicContact CG2-CB 4.22Å; V9-A18 HydrophobicContact CG1-CB 3.8Å; V9-I67 HydrophobicContact CG2-CG2 3.64Å; V9-Y68 PolarHBondContact N-O 3.16Å; V9-C69 HydrophobicContact CG2-CB 3.73Å; V9-Q70 PolarHBondContact O-N 2.92Å
10H97.8Very high91.9Very high89 Ų8968.6 Ų68.641%0.41237%0.369SS..EExtended strand (participates in β ladder)trans-130.3122.8177.1-175.1-160.6000110.7E14 N34 Q70H10-E14 PolarHBondContact N-OE2 3.43Å; H10-E14 WeakPolarHBondContact O-CB 3.39Å; H10-E14 WeakPolarHBondContact O-CG 3.34Å; H10-N34 PolarHBondContact CE1-ND2 2.81Å; H10-N34 PolarHBondContact NE2-ND2 2.79Å; H10-N34 PolarHBondContact NE2-OD1 2.76Å; H10-Q70 HydrophobicContact CB-CB 4.48Å; H10-Q70 PolarHBondContact CD2-O 3.15Å
11G97.4Very high92.2Very high19 Ų1970.9 Ų70.920%0.19638%0.377CS..Hα-helixtrans82.316818000000113.8F15 Q70G11-F15 PolarHBondContact O-N 3.3Å; G11-Q70 PolarHBondContact N-O 2.8Å
12Y97.4Very high94.7Very high53 Ų5360.9 Ų60.921%0.20833%0.326CS..Hα-helixtrans-70.6-37.7-170.7-178-106000112.7F15 C16 D83 F84 T87 L88Y12-F15 HydrophobicContact CD2-CD1 4.46Å; Y12-F15 HydrophobicContact CE2-CD1 4.43Å; Y12-F15 WeakPolarHBondContact O-CB 3.41Å; Y12-F15 PolarHBondContact O-N 3.05Å; Y12-C16 WeakPolarHBondContact CE1-SG 3.44Å; Y12-C16 PolarHBondContact O-N 3.41Å; Y12-C16 PolarHBondContact O-SG 3.34Å; Y12-D83 HydrophobicContact CD1-CB 3.49Å; Y12-D83 VanDerWaalsContact CD1-CB 3.49Å; Y12-D83 HydrophobicContact CD2-CB 4.01Å; Y12-D83 HydrophobicContact CE1-CB 4.05Å; Y12-D83 HydrophobicContact CG-CB 3.46Å; Y12-D83 VanDerWaalsContact CG-CB 3.46Å; Y12-F84 AromaticContact CD2-CD1 3.92Å; Y12-F84 HydrophobicContact CD2-CD1 3.92Å; Y12-F84 AromaticContact CD2-CE1 3.98Å; Y12-F84 HydrophobicContact CD2-CE1 3.98Å; Y12-F84 HydrophobicContact CD2-CG 4.34Å; Y12-F84 HydrophobicContact CD2-CZ 4.48Å; Y12-T87 HydrophobicContact CE1-CG2 4.36Å; Y12-T87 WeakPolarHBondContact CE2-OG1 3.19Å; Y12-T87 VanDerWaalsContact OH-CB 3.31Å; Y12-T87 WeakPolarHBondContact OH-CB 3.34Å; Y12-T87 PolarHBondContact OH-OG1 3.01Å; Y12-L88 HydrophobicContact CE2-CD1 4.17Å; Y12-L88 HydrophobicContact CE2-CG 4.09Å
13E97.6Very high96.7Very high170 Ų17066.4 Ų66.479%0.79434%0.339SS*.Hα-helixtrans-62.3-48.2179.5-174.9178.2-177.500111.9F15 C16 K17E13-F15 VanDerWaalsContact C-N 3.3Å; E13-F15 PolarHBondContact O-N 3.11Å; E13-C16 PolarHBondContact O-N 3.38Å; E13-K17 PolarHBondContact O-N 3.39Å
14E98.5Very high97Very high99 Ų9968.3 Ų68.346%0.46336%0.359SS..Hα-helixtrans-64.1-37.2177-65.3-171.6-176.400111.8V9 H10 K17 A18V9-E14 HydrophobicContact CB-CB 3.82Å; V9-E14 HydrophobicContact CG1-CB 4.21Å; H10-E14 PolarHBondContact N-OE2 3.43Å; H10-E14 WeakPolarHBondContact O-CB 3.39Å; H10-E14 WeakPolarHBondContact O-CG 3.34Å; E14-K17 PolarHBondContact O-N 2.77Å; E14-A18 WeakPolarHBondContact O-CB 3.35Å; E14-A18 PolarHBondContact O-N 3.25Å
15F98.3Very high97.1Very high1 Ų169 Ų690%0.00436%0.363CS..Hα-helixtrans-59.5-50.1172.7172-99.7000111.8V9 G11 Y12 E13 K17 A18 V19 A29 F31 I67 C69 L88 Y99V9-F15 HydrophobicContact CG2-CB 4.22Å; G11-F15 PolarHBondContact O-N 3.3Å; Y12-F15 HydrophobicContact CD2-CD1 4.46Å; Y12-F15 HydrophobicContact CE2-CD1 4.43Å; Y12-F15 WeakPolarHBondContact O-CB 3.41Å; Y12-F15 PolarHBondContact O-N 3.05Å; E13-F15 VanDerWaalsContact C-N 3.3Å; E13-F15 PolarHBondContact O-N 3.11Å; F15-K17 VanDerWaalsContact C-N 3.31Å; F15-K17 PolarHBondContact O-N 2.92Å; F15-A18 PolarHBondContact O-N 3.43Å; F15-V19 HydrophobicContact CD1-CG2 4.49Å; F15-V19 HydrophobicContact CD2-CG2 4.29Å; F15-V19 HydrophobicContact CE1-CG2 3.97Å; F15-V19 HydrophobicContact CE2-CG2 3.74Å; F15-V19 HydrophobicContact CZ-CG2 3.56Å; F15-V19 WeakPolarHBondContact O-CG2 3.48Å; F15-V19 PolarHBondContact O-N 2.85Å; F15-A29 HydrophobicContact CE2-CB 3.65Å; F15-A29 HydrophobicContact CZ-CB 4.2Å; F15-F31 HydrophobicContact CD1-CE1 4.48Å; F15-F31 AromaticContact CD2-CE1 3.91Å; F15-F31 HydrophobicContact CD2-CE1 3.91Å; F15-F31 HydrophobicContact CD2-CZ 4.13Å; F15-F31 HydrophobicContact CE1-CE1 4.47Å; F15-F31 HydrophobicContact CE1-CZ 4.19Å; F15-F31 AromaticContact CE2-CE1 3.91Å; F15-F31 HydrophobicContact CE2-CE1 3.91Å; F15-F31 AromaticContact CE2-CZ 3.63Å; F15-F31 HydrophobicContact CE2-CZ 3.63Å; F15-F31 HydrophobicContact CG-CE1 4.22Å; F15-F31 HydrophobicContact CZ-CE1 4.2Å; F15-F31 AromaticContact CZ-CZ 3.66Å; F15-F31 HydrophobicContact CZ-CZ 3.66Å; F15-I67 HydrophobicContact CD2-CG2 4.08Å; F15-I67 HydrophobicContact CE2-CD1 4.4Å; F15-I67 HydrophobicContact CE2-CG2 4.44Å; F15-C69 HydrophobicContact CD2-CB 4.26Å; F15-L88 HydrophobicContact CD1-CD1 4.14Å; F15-L88 HydrophobicContact CE1-CD1 3.64Å; F15-L88 HydrophobicContact CE1-CD2 4.3Å; F15-L88 HydrophobicContact CZ-CD1 4.22Å; F15-Y99 HydrophobicContact CE1-CD2 4.45Å; F15-Y99 HydrophobicContact CE1-CE2 4.1Å; F15-Y99 AromaticContact CZ-CD2 3.89Å; F15-Y99 HydrophobicContact CZ-CD2 3.89Å; F15-Y99 HydrophobicContact CZ-CE2 4Å
16C97.9Very high97.1Very high47 Ų4768 Ų6832%0.31836%0.36SS..Hα-helixtrans-59-43.2177.4-76.60000112.1Y12 E13 V19 S20Y12-C16 WeakPolarHBondContact CE1-SG 3.44Å; Y12-C16 PolarHBondContact O-N 3.41Å; Y12-C16 PolarHBondContact O-SG 3.34Å; E13-C16 PolarHBondContact O-N 3.38Å; C16-V19 PolarHBondContact O-N 2.95Å; C16-S20 WeakPolarHBondContact O-CB 3.48Å; C16-S20 PolarHBondContact O-N 3.24Å; C16-S20 PolarHBondContact O-OG 2.88Å
17K98.3Very high97.1Very high130 Ų13065.3 Ų65.357%0.56534%0.344SS*.Hα-helixtrans-59.6-50.9175.3-174.4178.8175.3-175.30111.1E13 E14 F15 V19 S20 E21E13-K17 PolarHBondContact O-N 3.39Å; E14-K17 PolarHBondContact O-N 2.77Å; F15-K17 VanDerWaalsContact C-N 3.31Å; F15-K17 PolarHBondContact O-N 2.92Å; K17-V19 VanDerWaalsContact C-N 3.32Å; K17-V19 PolarHBondContact O-N 2.64Å; K17-S20 PolarHBondContact O-N 3.11Å; K17-S20 VanDerWaalsContact O-N 3.07Å; K17-S20 PolarHBondContact O-OG 2.82Å; K17-E21 WeakPolarHBondContact CE-OE1 3.37Å; K17-E21 WeakPolarHBondContact O-CG 3.35Å; K17-E21 PolarHBondContact O-N 2.73Å
18A98.1Very high97.1Very high4 Ų464.6 Ų64.63%0.03334%0.339CS..Hα-helixtrans-59.4-41.7-17900000112.8V7 V9 E14 F15 R22 I67V7-A18 HydrophobicContact CG1-CB 4.14Å; V9-A18 HydrophobicContact CG1-CB 3.8Å; E14-A18 WeakPolarHBondContact O-CB 3.35Å; E14-A18 PolarHBondContact O-N 3.25Å; F15-A18 PolarHBondContact O-N 3.43Å; A18-R22 WeakPolarHBondContact O-CD 3.4Å; A18-R22 WeakPolarHBondContact O-CG 3.4Å; A18-R22 PolarHBondContact O-NH1 2.93Å; A18-I67 HydrophobicContact CB-CD1 4.08Å
19V97.6Very high97.1Very high12 Ų1259.8 Ų59.87%0.07331%0.313CS..Hα-helixtrans-63-46.9173.4168.60000111F15 C16 K17 E21 R22 K23 I27 I67 Y99F15-V19 HydrophobicContact CD1-CG2 4.49Å; F15-V19 HydrophobicContact CD2-CG2 4.29Å; F15-V19 HydrophobicContact CE1-CG2 3.97Å; F15-V19 HydrophobicContact CE2-CG2 3.74Å; F15-V19 HydrophobicContact CZ-CG2 3.56Å; F15-V19 WeakPolarHBondContact O-CG2 3.48Å; F15-V19 PolarHBondContact O-N 2.85Å; C16-V19 PolarHBondContact O-N 2.95Å; K17-V19 VanDerWaalsContact C-N 3.32Å; K17-V19 PolarHBondContact O-N 2.64Å; V19-E21 VanDerWaalsContact C-N 3.3Å; V19-E21 PolarHBondContact O-N 3.07Å; V19-R22 CarbonylContact O-C 3.54Å; V19-R22 PolarHBondContact O-N 3.35Å; V19-K23 PolarHBondContact O-N 3.01Å; V19-I27 HydrophobicContact CB-CD1 4.41Å; V19-I27 HydrophobicContact CG1-CD1 4.13Å; V19-I27 HydrophobicContact CG2-CD1 4.41Å; V19-I67 HydrophobicContact CG2-CD1 3.89Å; V19-Y99 HydrophobicContact CG1-CD1 3.85Å; V19-Y99 HydrophobicContact CG1-CE1 3.33Å; V19-Y99 HydrophobicContact CG1-CE2 4.36Å; V19-Y99 HydrophobicContact CG2-CE2 4.45Å
20S97.3Very high97.1Very high57 Ų5759.3 Ų59.340%0.39931%0.31SS..Hα-helixtrans-63.9-32.6-176.775.80000114C16 K17 R22 K23C16-S20 WeakPolarHBondContact O-CB 3.48Å; C16-S20 PolarHBondContact O-N 3.24Å; C16-S20 PolarHBondContact O-OG 2.88Å; K17-S20 PolarHBondContact O-N 3.11Å; K17-S20 VanDerWaalsContact O-N 3.07Å; K17-S20 PolarHBondContact O-OG 2.82Å; S20-R22 PolarHBondContact O-N 3.4Å; S20-K23 WeakPolarHBondContact O-CG 3.41Å
21E97.6Very high97.2Very high117 Ų11755 Ų5555%0.54729%0.291SS..THydrogen-bonded Turntrans-73.3-15.3176.5-72.4173.1170.900112.5K17 V19K17-E21 WeakPolarHBondContact CE-OE1 3.37Å; K17-E21 WeakPolarHBondContact O-CG 3.35Å; K17-E21 PolarHBondContact O-N 2.73Å; V19-E21 VanDerWaalsContact C-N 3.3Å; V19-E21 PolarHBondContact O-N 3.07Å
22R96.9Very high97.2Very high35 Ų3554.1 Ų54.113%0.13228%0.281CS..THydrogen-bonded Turntrans-12024.2-172.5-65.9167.5-175.873.81.6112.4E5 V7 A18 V19 S20 G24 K25 I27 V65E5-R22 IonicContact OE1-CZ 3.2Å; E5-R22 IonicContact OE1-NE 2.76Å; E5-R22 PolarHBondContact OE1-NE 2.98Å; E5-R22 IonicContact OE1-NH2 2.77Å; E5-R22 PolarHBondContact OE1-NH2 3.49Å; E5-R22 IonicContact OE2-NE 3.58Å; V7-R22 VanDerWaalsContact CG2-NE 3.29Å; A18-R22 WeakPolarHBondContact O-CD 3.4Å; A18-R22 WeakPolarHBondContact O-CG 3.4Å; A18-R22 PolarHBondContact O-NH1 2.93Å; V19-R22 CarbonylContact O-C 3.54Å; V19-R22 PolarHBondContact O-N 3.35Å; S20-R22 PolarHBondContact O-N 3.4Å; R22-G24 PolarHBondContact O-N 3.39Å; R22-K25 HydrophobicContact CB-CD 4.35Å; R22-K25 WeakPolarHBondContact O-CB 3.41Å; R22-K25 PolarHBondContact O-N 2.79Å; R22-K25 VanDerWaalsContact O-N 3.11Å; R22-I27 HydrophobicContact CB-CD1 4.12Å; R22-V65 HydrophobicContact CB-CG2 4.23Å; R22-V65 HydrophobicContact CG-CG2 4.28Å
23K92.7Very high97.2Very high175 Ų17551.6 Ų51.676%0.76127%0.271SS*.THydrogen-bonded Turntrans-52134.1175-75.9176.9-176.5-1740110.7V19 S20 K25V19-K23 PolarHBondContact O-N 3.01Å; S20-K23 WeakPolarHBondContact O-CG 3.41Å; K23-K25 VanDerWaalsContact C-N 3.34Å
24G92.6Very high97.2Very high90 Ų9045 Ų4593%0.92824%0.241SC*.THydrogen-bonded Turntrans87.1-5.1-179.600000114.9R22R22-G24 PolarHBondContact O-N 3.39Å
25K95.1Very high97Very high96 Ų9643.6 Ų43.642%0.41723%0.234SC..SBendtrans-92.5155.5167.8-60-172.9178-1710110.6E5 R22 K23 V65E5-K25 IonicContact OE2-NZ 2.8Å; E5-K25 PolarHBondContact OE2-NZ 3.12Å; R22-K25 HydrophobicContact CB-CD 4.35Å; R22-K25 WeakPolarHBondContact O-CB 3.41Å; R22-K25 PolarHBondContact O-N 2.79Å; R22-K25 VanDerWaalsContact O-N 3.11Å; K23-K25 VanDerWaalsContact C-N 3.34Å; K25-V65 HydrophobicContact CB-CG2 3.89Å; K25-V65 HydrophobicContact CD-CG2 3.38Å; K25-V65 HydrophobicContact CG-CG2 4.3Å
26D95.6Very high96.7Very high41 Ų4147.3 Ų47.322%0.21925%0.254CS..  trans-73.9128166-160.7-2.1000109.5F28 S64 V65 R98D26-F28 HydrophobicContact CB-CE2 4.23Å; D26-F28 WeakPolarHBondContact OD2-CZ 3.44Å; D26-S64 CarbonylContact O-C 3.58Å; D26-S64 WeakPolarHBondContact O-CA 3.36Å; D26-S64 WeakPolarHBondContact O-CB 3.49Å; D26-V65 PolarHBondContact O-N 3.45Å; D26-R98 IonicContact OD1-CZ 2.84Å; D26-R98 IonicContact OD1-NE 3.14Å; D26-R98 PolarHBondContact OD1-NE 2.93Å; D26-R98 VanDerWaalsContact OD1-NE 3.14Å; D26-R98 IonicContact OD1-NH2 3.03Å; D26-R98 IonicContact OD2-CZ 3.52Å; D26-R98 VanDerWaalsContact OD2-CZ 3.28Å; D26-R98 IonicContact OD2-NE 3.02Å; D26-R98 PolarHBondContact OD2-NE 3.01Å; D26-R98 IonicContact OD2-NH2 3.32Å; D26-R98 PolarHBondContact OD2-NH2 3.2Å
27I97.9Very high96.4Very high7 Ų750.5 Ų50.54%0.03628%0.284CS..EExtended strand (participates in β ladder)trans-122.9121.1-171.4-62.9170.4000109.2V19 R22 V65 I67 Y99V19-I27 HydrophobicContact CB-CD1 4.41Å; V19-I27 HydrophobicContact CG1-CD1 4.13Å; V19-I27 HydrophobicContact CG2-CD1 4.41Å; R22-I27 HydrophobicContact CB-CD1 4.12Å; I27-V65 CarbonylContact C-O 3.54Å; I27-V65 WeakPolarHBondContact CA-O 3.08Å; I27-V65 HydrophobicContact CG1-CB 4.15Å; I27-V65 HydrophobicContact CG1-CG2 4.41Å; I27-I67 HydrophobicContact CG2-CD1 3.57Å; I27-I67 HydrophobicContact CG2-CG1 4Å; I27-Y99 WeakPolarHBondContact O-CB 3.03Å; I27-Y99 PolarHBondContact O-N 3.21Å
28F98.1Very high96Very high1 Ų153 Ų530%0.00430%0.297CS..EExtended strand (participates in β ladder)trans-107112173.1-62.3-89.6000108.8D26 L60 P61 V65 F66 I67 L97 R98 M119 F120D26-F28 HydrophobicContact CB-CE2 4.23Å; D26-F28 WeakPolarHBondContact OD2-CZ 3.44Å; F28-L60 HydrophobicContact CB-CD2 4.16Å; F28-L60 HydrophobicContact CD1-CD2 4.3Å; F28-L60 HydrophobicContact CD2-CD2 3.24Å; F28-L60 HydrophobicContact CE2-CD2 3.6Å; F28-L60 HydrophobicContact CG-CD2 3.62Å; F28-L60 HydrophobicContact CZ-CD2 4.26Å; F28-P61 HydrophobicContact CE2-CG 4.16Å; F28-P61 HydrophobicContact CZ-CG 4.26Å; F28-V65 PolarHBondContact N-O 3.31Å; F28-F66 HydrophobicContact CB-CD2 4.2Å; F28-F66 CarbonylContact O-C 3.56Å; F28-F66 WeakPolarHBondContact O-CA 3.11Å; F28-I67 PolarHBondContact O-N 3Å; F28-L97 CarbonylContact C-O 3.59Å; F28-L97 WeakPolarHBondContact CA-O 3.29Å; F28-R98 HydrophobicContact CD1-CB 4.17Å; F28-R98 HydrophobicContact CD1-CG 4.12Å; F28-R98 HydrophobicContact CE1-CB 4.04Å; F28-R98 HydrophobicContact CE1-CG 3.68Å; F28-R98 HydrophobicContact CZ-CG 4.11Å; F28-M119 HydrophobicContact CD1-CG 4.47Å; F28-M119 WeakPolarHBondContact CE1-O 3.4Å; F28-F120 HydrophobicContact CB-CE1 4.16Å; F28-F120 AromaticContact CD1-CD1 3.69Å; F28-F120 HydrophobicContact CD1-CD1 3.69Å; F28-F120 AromaticContact CD1-CE1 3.95Å; F28-F120 HydrophobicContact CD1-CE1 3.95Å; F28-F120 AromaticContact CE1-CD1 3.98Å; F28-F120 HydrophobicContact CE1-CD1 3.98Å; F28-F120 HydrophobicContact CG-CD1 4.08Å; F28-F120 HydrophobicContact CG-CE1 4.13Å
29A98.4Very high95.7Very high0 Ų054.6 Ų54.60%032%0.315CS..EExtended strand (participates in β ladder)trans-103.4120.6-177.600000110.6F15 F31 I67 L96 L97F15-A29 HydrophobicContact CE2-CB 3.65Å; F15-A29 HydrophobicContact CZ-CB 4.2Å; A29-F31 HydrophobicContact CB-CD2 4.45Å; A29-F31 HydrophobicContact CB-CE2 3.63Å; A29-F31 HydrophobicContact CB-CZ 3.72Å; A29-I67 CarbonylContact C-O 3.57Å; A29-I67 WeakPolarHBondContact CA-O 3.42Å; A29-L96 CarbonylContact O-C 3.53Å; A29-L96 WeakPolarHBondContact O-CA 3.35Å; A29-L97 PolarHBondContact N-O 2.92Å; A29-L97 PolarHBondContact O-N 2.79Å
30Y98.7Very high95.4Very high2 Ų259.9 Ų59.91%0.00834%0.337CS..EExtended strand (participates in β ladder)trans-103.7113.2172.6-179.7-103.8000110C46 A49 E50 V53 F66 I67 Y68 C69 P94 T95 L96Y30-C46 PolarHBondContact OH-O 2.84Å; Y30-A49 WeakPolarHBondContact OH-CB 3.46Å; Y30-E50 HydrophobicContact CE1-CB 4.45Å; Y30-E50 PolarHBondContact OH-N 3.32Å; Y30-V53 HydrophobicContact CD2-CB 4.4Å; Y30-V53 HydrophobicContact CD2-CG1 4.03Å; Y30-V53 HydrophobicContact CD2-CG2 4.12Å; Y30-V53 HydrophobicContact CE2-CB 4.31Å; Y30-V53 HydrophobicContact CE2-CG1 4.44Å; Y30-V53 HydrophobicContact CE2-CG2 3.81Å; Y30-V53 HydrophobicContact CG-CG1 4.42Å; Y30-F66 VanDerWaalsContact CB-CZ 3.47Å; Y30-F66 HydrophobicContact CG-CZ 4.16Å; Y30-I67 PolarHBondContact N-O 2.82Å; Y30-Y68 AromaticContact CD1-CD2 3.5Å; Y30-Y68 HydrophobicContact CD1-CD2 3.5Å; Y30-Y68 AromaticContact CD1-CE2 3.48Å; Y30-Y68 HydrophobicContact CD1-CE2 3.48Å; Y30-Y68 VanDerWaalsContact CD1-CE2 3.48Å; Y30-Y68 HydrophobicContact CD1-CG 4.49Å; Y30-Y68 HydrophobicContact CE1-CD2 4.05Å; Y30-Y68 AromaticContact CE1-CE2 3.53Å; Y30-Y68 HydrophobicContact CE1-CE2 3.53Å; Y30-C69 PolarHBondContact O-N 3.49Å; Y30-P94 HydrophobicContact CE2-CB 3.64Å; Y30-P94 WeakPolarHBondContact OH-CB 3.24Å; Y30-T95 WeakPolarHBondContact CA-O 3.43Å; Y30-L96 HydrophobicContact CD2-CB 4.4Å; Y30-L96 HydrophobicContact CD2-CD1 4.46Å
31F98.6Very high95.2Very high0 Ų057.5 Ų57.50%032%0.32CS..EExtended strand (participates in β ladder)trans-95.7123.6179.1-60.2-81.5000110.1F15 A29 C69 V71 F84 L88 L90 V93 P94 T95 L97F15-F31 HydrophobicContact CD1-CE1 4.48Å; F15-F31 AromaticContact CD2-CE1 3.91Å; F15-F31 HydrophobicContact CD2-CE1 3.91Å; F15-F31 HydrophobicContact CD2-CZ 4.13Å; F15-F31 HydrophobicContact CE1-CE1 4.47Å; F15-F31 HydrophobicContact CE1-CZ 4.19Å; F15-F31 AromaticContact CE2-CE1 3.91Å; F15-F31 HydrophobicContact CE2-CE1 3.91Å; F15-F31 AromaticContact CE2-CZ 3.63Å; F15-F31 HydrophobicContact CE2-CZ 3.63Å; F15-F31 HydrophobicContact CG-CE1 4.22Å; F15-F31 HydrophobicContact CZ-CE1 4.2Å; F15-F31 AromaticContact CZ-CZ 3.66Å; F15-F31 HydrophobicContact CZ-CZ 3.66Å; A29-F31 HydrophobicContact CB-CD2 4.45Å; A29-F31 HydrophobicContact CB-CE2 3.63Å; A29-F31 HydrophobicContact CB-CZ 3.72Å; F31-C69 WeakPolarHBondContact CA-O 3.44Å; F31-C69 HydrophobicContact CD1-CB 3.65Å; F31-C69 HydrophobicContact CE1-CB 3.86Å; F31-V71 HydrophobicContact CB-CG1 3.8Å; F31-V71 HydrophobicContact CD1-CG1 4.11Å; F31-V71 HydrophobicContact CG-CG1 4.42Å; F31-F84 AromaticContact CD1-CD1 3.95Å; F31-F84 HydrophobicContact CD1-CD1 3.95Å; F31-F84 AromaticContact CD1-CE1 3.84Å; F31-F84 HydrophobicContact CD1-CE1 3.84Å; F31-F84 AromaticContact CE1-CD1 3.86Å; F31-F84 HydrophobicContact CE1-CD1 3.86Å; F31-F84 AromaticContact CE1-CE1 3.72Å; F31-F84 HydrophobicContact CE1-CE1 3.72Å; F31-L88 HydrophobicContact CE1-CD1 3.93Å; F31-L88 HydrophobicContact CE2-CD1 4.41Å; F31-L88 HydrophobicContact CZ-CD1 3.59Å; F31-L90 HydrophobicContact CB-CD1 3.94Å; F31-L90 HydrophobicContact CD1-CD1 3.85Å; F31-L90 HydrophobicContact CD2-CD1 3.62Å; F31-L90 HydrophobicContact CD2-CD2 4.24Å; F31-L90 HydrophobicContact CE1-CD1 4.26Å; F31-L90 HydrophobicContact CE2-CD1 4.04Å; F31-L90 HydrophobicContact CE2-CD2 4.27Å; F31-L90 HydrophobicContact CG-CD1 3.5Å; F31-L90 VanDerWaalsContact CG-CD1 3.5Å; F31-L90 HydrophobicContact CZ-CD1 4.34Å; F31-V93 HydrophobicContact CB-CG1 4.34Å; F31-P94 VanDerWaalsContact O-CA 3.29Å; F31-P94 WeakPolarHBondContact O-CA 3.22Å; F31-T95 PolarHBondContact N-O 2.85Å; F31-T95 PolarHBondContact O-N 3.44Å; F31-T95 VanDerWaalsContact O-N 3.14Å; F31-L97 HydrophobicContact CE2-CB 4.06Å; F31-L97 HydrophobicContact CE2-CD2 4Å
32S98.4Very high95.2Very high0 Ų055.4 Ų55.40%031%0.307CS..EExtended strand (participates in β ladder)trans-133.2151.9-176-179.50000110.8C46 Y68 C69 Q70 V71S32-C46 WeakPolarHBondContact OG-CB 3.28Å; S32-Y68 WeakPolarHBondContact CB-OH 3.21Å; S32-Y68 PolarHBondContact OG-OH 2.82Å; S32-Y68 VanDerWaalsContact OG-OH 3.1Å; S32-C69 PolarHBondContact N-O 3.2Å; S32-Q70 CarbonylContact O-C 3.5Å; S32-Q70 WeakPolarHBondContact O-CA 3.39Å; S32-V71 WeakPolarHBondContact O-CG2 3.38Å; S32-V71 PolarHBondContact O-N 2.92Å
33G97.8Very high95.1Very high0 Ų054.1 Ų54.10%030%0.303CS..PPolyproline II helixtrans-64.3147.8168.800000111.6K35 S41 W42 C46G33-K35 PolarHBondContact O-N 3.47Å; G33-S41 WeakPolarHBondContact CA-OG 3.21Å; G33-S41 WeakPolarHBondContact O-CB 3.45Å; G33-S41 PolarHBondContact O-OG 2.89Å; G33-W42 VanDerWaalsContact CA-CE2 3.47Å; G33-C46 PolarHBondContact N-SG 3.46Å; G33-C46 VanDerWaalsContact N-SG 3.44Å
34N96.7Very high95.3Very high30 Ų3050.5 Ų50.516%0.1630%0.298CS..PPolyproline II helixtrans-50.3139.6176.3-78.218.2000113.3H10 S41 W42 Q70 G72H10-N34 PolarHBondContact CE1-ND2 2.81Å; H10-N34 PolarHBondContact NE2-ND2 2.79Å; H10-N34 PolarHBondContact NE2-OD1 2.76Å; N34-S41 WeakPolarHBondContact O-CA 3.3Å; N34-W42 VanDerWaalsContact N-NE1 3.12Å; N34-W42 VanDerWaalsContact O-CD1 3.25Å; N34-W42 PolarHBondContact O-N 2.79Å; N34-W42 VanDerWaalsContact O-N 3.17Å; N34-Q70 WeakPolarHBondContact OD1-CB 3.48Å; N34-G72 WeakPolarHBondContact CB-O 3.21Å; N34-G72 PolarHBondContact N-O 2.94Å; N34-G72 WeakPolarHBondContact OD1-CA 3.41Å; N34-G72 PolarHBondContact OD1-N 3.21Å; N34-G72 PolarHBondContact OD1-O 2.8Å
35K95Very high95.6Very high71 Ų7149.2 Ų49.231%0.30927%0.27SS..BIsolated β-bridgetrans-81.9141170.6-68.6-178.9169.4-174.30111G33 G39 K40 E50 Y68G33-K35 PolarHBondContact O-N 3.47Å; K35-G39 WeakPolarHBondContact CD-O 3.43Å; K35-G39 VanDerWaalsContact CE-O 3.3Å; K35-G39 WeakPolarHBondContact CE-O 3.47Å; K35-G39 WeakPolarHBondContact CG-O 3.36Å; K35-K40 CarbonylContact C-O 3.58Å; K35-K40 VanDerWaalsContact CA-O 3.3Å; K35-K40 WeakPolarHBondContact CA-O 3.05Å; K35-E50 WeakPolarHBondContact CE-OE2 3.46Å; K35-E50 IonicContact NZ-OE1 2.78Å; K35-E50 PolarHBondContact NZ-OE1 2.91Å; K35-E50 IonicContact NZ-OE2 3.28Å; K35-E50 PolarHBondContact NZ-OE2 3.3Å; K35-Y68 WeakPolarHBondContact CE-OH 3.31Å
36D92.2Very high95.7Very high78 Ų7844.7 Ų44.742%0.41725%0.25SC..  trans-75.5-175.8166.361.723.3000111.7E38 G39 K40D36-E38 PolarHBondContact O-N 3.22Å; D36-E38 WeakPolarHBondContact OD1-CA 3.08Å; D36-E38 WeakPolarHBondContact OD1-CB 3.39Å; D36-E38 PolarHBondContact OD1-N 2.79Å; D36-G39 PolarHBondContact O-N 3.02Å; D36-G39 PolarHBondContact OD1-N 3.14Å; D36-G39 VanDerWaalsContact OD1-N 3.08Å; D36-K40 VanDerWaalsContact CG-O 3.3Å; D36-K40 PolarHBondContact N-O 2.85Å; D36-K40 PolarHBondContact OD1-N 2.78Å
37A90.9Very high95.7Very high115 Ų11545.4 Ų45.495%0.9526%0.256SS*.THydrogen-bonded Turntrans-63.4-19.9178.300000113.6G39A37-G39 VanDerWaalsContact C-N 3.29Å
38E90.4Very high95.7Very high181 Ų18150.9 Ų50.985%0.84628%0.279SS*.THydrogen-bonded Turntrans-891.2175.7-59-177.177.600111.8D36 K40D36-E38 PolarHBondContact O-N 3.22Å; D36-E38 WeakPolarHBondContact OD1-CA 3.08Å; D36-E38 WeakPolarHBondContact OD1-CB 3.39Å; D36-E38 PolarHBondContact OD1-N 2.79Å; E38-K40 VanDerWaalsContact C-N 3.32Å
39G90.2Very high95.6Very high39 Ų3950.9 Ų50.940%0.40228%0.279SS..SBendtrans79.813.4-179.800000113.6K35 D36 A37K35-G39 WeakPolarHBondContact CD-O 3.43Å; K35-G39 VanDerWaalsContact CE-O 3.3Å; K35-G39 WeakPolarHBondContact CE-O 3.47Å; K35-G39 WeakPolarHBondContact CG-O 3.36Å; D36-G39 PolarHBondContact O-N 3.02Å; D36-G39 PolarHBondContact OD1-N 3.14Å; D36-G39 VanDerWaalsContact OD1-N 3.08Å; A37-G39 VanDerWaalsContact C-N 3.29Å
40K91.6Very high95.6Very high123 Ų12351.8 Ų51.854%0.53528%0.284SS..  trans-98.7128.7-177.9-169.3177.2180178.40111K35 D36 E38 V47K35-K40 CarbonylContact C-O 3.58Å; K35-K40 VanDerWaalsContact CA-O 3.3Å; K35-K40 WeakPolarHBondContact CA-O 3.05Å; D36-K40 VanDerWaalsContact CG-O 3.3Å; D36-K40 PolarHBondContact N-O 2.85Å; D36-K40 PolarHBondContact OD1-N 2.78Å; E38-K40 VanDerWaalsContact C-N 3.32Å; K40-V47 HydrophobicContact CG-CG2 3.64Å
41S94.7Very high95.5Very high7 Ų755.8 Ų55.85%0.04931%0.31CS..BIsolated β-bridgetrans-67.2143.6175-173.40000111.1G33 N34 C43G33-S41 WeakPolarHBondContact CA-OG 3.21Å; G33-S41 WeakPolarHBondContact O-CB 3.45Å; G33-S41 PolarHBondContact O-OG 2.89Å; N34-S41 WeakPolarHBondContact O-CA 3.3Å; S41-C43 PolarHBondContact O-N 2.69Å; S41-C43 VanDerWaalsContact O-N 3.14Å; S41-C43 PolarHBondContact OG-N 2.93Å
42W96.6Very high95.5Very high72 Ų7257.7 Ų57.727%0.27332%0.32SS..SBendtrans-62.3-15.9169.259.7-105.7000113G33 N34 V71 G72 R74 W77 V93G33-W42 VanDerWaalsContact CA-CE2 3.47Å; N34-W42 VanDerWaalsContact N-NE1 3.12Å; N34-W42 VanDerWaalsContact O-CD1 3.25Å; N34-W42 PolarHBondContact O-N 2.79Å; N34-W42 VanDerWaalsContact O-N 3.17Å; W42-V71 HydrophobicContact CZ2-CG2 4.31Å; W42-G72 PolarHBondContact NE1-O 2.98Å; W42-R74 HydrophobicContact CD2-CB 3.7Å; W42-R74 HydrophobicContact CD2-CG 4.16Å; W42-R74 HydrophobicContact CE3-CB 3.81Å; W42-R74 HydrophobicContact CE3-CG 3.71Å; W42-R74 HydrophobicContact CG-CB 4.12Å; W42-R74 HydrophobicContact CH2-CG 4.44Å; W42-R74 HydrophobicContact CZ2-CB 4.43Å; W42-R74 HydrophobicContact CZ3-CB 4.27Å; W42-R74 HydrophobicContact CZ3-CG 3.88Å; W42-W77 HydrophobicContact CH2-CB 3.86Å; W42-W77 AromaticContact CH2-CD1 3.51Å; W42-W77 AromaticContact CH2-CG 3.74Å; W42-W77 HydrophobicContact CH2-CG 3.74Å; W42-W77 HydrophobicContact CZ2-CB 3.78Å; W42-W77 HydrophobicContact CZ2-CG 4.06Å; W42-V93 HydrophobicContact CH2-CG2 3.72Å; W42-V93 HydrophobicContact CZ2-CG2 4.37Å; W42-V93 HydrophobicContact CZ3-CG2 4.45Å
43C95.8Very high95.4Very high8 Ų857.8 Ų57.85%0.05432%0.32CS..SBendtrans-96115.2176.8177.20000110.5S41 D45 C46 V47 V93S41-C43 PolarHBondContact O-N 2.69Å; S41-C43 VanDerWaalsContact O-N 3.14Å; S41-C43 PolarHBondContact OG-N 2.93Å; C43-D45 VanDerWaalsContact C-N 3.27Å; C43-D45 PolarHBondContact O-N 3.32Å; C43-C46 HydrophobicContact CB-CB 3.82Å; C43-C46 VanDerWaalsContact CB-SG 3.51Å; C43-C46 WeakPolarHBondContact O-CB 3.4Å; C43-C46 PolarHBondContact O-N 3.44Å; C43-C46 VanDerWaalsContact O-N 3.16Å; C43-C46 PolarHBondContact SG-N 3.2Å; C43-C46 PolarHBondContact SG-SG 3.13Å; C43-V47 PolarHBondContact O-N 3.39Å; C43-V93 HydrophobicContact CB-CG2 4.45Å; C43-V93 PolarHBondContact SG-O 2.99Å
44P96.6Very high95.4Very high100 Ų10061.8 Ų61.865%0.64934%0.335SS*.Hα-helixtrans-58.3-37.1177.7-25.135000113.6C46 V47 K48P44-C46 VanDerWaalsContact C-N 3.34Å; P44-V47 WeakPolarHBondContact O-CB 3.29Å; P44-V47 PolarHBondContact O-N 3.38Å; P44-K48 PolarHBondContact O-N 2.74Å
45D97.4Very high95.4Very high63 Ų6362.6 Ų62.634%0.33735%0.35SS..Hα-helixtrans-67.3-36.9178.8-65.1-28000111.5C43 V47 K48 A49 P94 F111C43-D45 VanDerWaalsContact C-N 3.27Å; C43-D45 PolarHBondContact O-N 3.32Å; D45-V47 VanDerWaalsContact C-N 3.35Å; D45-V47 PolarHBondContact O-N 2.9Å; D45-K48 PolarHBondContact O-N 3.39Å; D45-A49 VanDerWaalsContact O-CB 3.31Å; D45-A49 WeakPolarHBondContact O-CB 3.42Å; D45-A49 PolarHBondContact O-N 3.31Å; D45-P94 HydrophobicContact CB-CG 4.37Å; D45-F111 HydrophobicContact CB-CE1 4.09Å; D45-F111 HydrophobicContact CB-CZ 3.66Å; D45-F111 WeakPolarHBondContact O-CE1 3.14Å
46C97.1Very high95.5Very high0 Ų060.9 Ų60.90%034%0.344CS..Hα-helixtrans-63.2-42.1173.4-66.90000111.3Y30 S32 G33 C43 P44 K48 A49 E50Y30-C46 PolarHBondContact OH-O 2.84Å; S32-C46 WeakPolarHBondContact OG-CB 3.28Å; G33-C46 PolarHBondContact N-SG 3.46Å; G33-C46 VanDerWaalsContact N-SG 3.44Å; C43-C46 HydrophobicContact CB-CB 3.82Å; C43-C46 VanDerWaalsContact CB-SG 3.51Å; C43-C46 WeakPolarHBondContact O-CB 3.4Å; C43-C46 PolarHBondContact O-N 3.44Å; C43-C46 VanDerWaalsContact O-N 3.16Å; C43-C46 PolarHBondContact SG-N 3.2Å; C43-C46 PolarHBondContact SG-SG 3.13Å; P44-C46 VanDerWaalsContact C-N 3.34Å; C46-K48 VanDerWaalsContact C-N 3.27Å; C46-K48 PolarHBondContact O-N 3.32Å; C46-A49 PolarHBondContact O-N 2.96Å; C46-E50 VanDerWaalsContact O-CB 3.3Å; C46-E50 WeakPolarHBondContact O-CB 3.43Å; C46-E50 PolarHBondContact O-N 3.03Å
47V96.9Very high95.7Very high57 Ų5757.5 Ų57.535%0.34533%0.325SS..Hα-helixtrans-60.5-39.1176.11780000111.3K40 C43 P44 D45 P51K40-V47 HydrophobicContact CG-CG2 3.64Å; C43-V47 PolarHBondContact O-N 3.39Å; P44-V47 WeakPolarHBondContact O-CB 3.29Å; P44-V47 PolarHBondContact O-N 3.38Å; D45-V47 VanDerWaalsContact C-N 3.35Å; D45-V47 PolarHBondContact O-N 2.9Å; V47-P51 VanDerWaalsContact O-CD 3.3Å; V47-P51 WeakPolarHBondContact O-CD 3.39Å
48K97.1Very high95.9Very high122 Ų12257.1 Ų57.153%0.5331%0.312SS..Hα-helixtrans-74.2-42.9179.2-173.6-178.3176.6-1710112.9P44 D45 C46 P51 F111P44-K48 PolarHBondContact O-N 2.74Å; D45-K48 PolarHBondContact O-N 3.39Å; C46-K48 VanDerWaalsContact C-N 3.27Å; C46-K48 PolarHBondContact O-N 3.32Å; K48-P51 WeakPolarHBondContact O-CD 3.47Å; K48-P51 WeakPolarHBondContact O-CG 3.45Å; K48-F111 HydrophobicContact CB-CE1 4.17Å; K48-F111 HydrophobicContact CD-CD1 4.23Å; K48-F111 HydrophobicContact CD-CD2 4.23Å; K48-F111 HydrophobicContact CD-CE1 4.16Å; K48-F111 HydrophobicContact CD-CE2 4.15Å; K48-F111 HydrophobicContact CD-CG 4.29Å; K48-F111 HydrophobicContact CD-CZ 4.12Å; K48-F111 HydrophobicContact CG-CD1 4.25Å; K48-F111 HydrophobicContact CG-CE1 4.3Å
49A97.6Very high96.1Very high0 Ų051.6 Ų51.60%029%0.286CS..Hα-helixtrans-75.6-36.5-176.200000113.6Y30 D45 C46 I52 V53 P94 C110 F111Y30-A49 WeakPolarHBondContact OH-CB 3.46Å; D45-A49 VanDerWaalsContact O-CB 3.31Å; D45-A49 WeakPolarHBondContact O-CB 3.42Å; D45-A49 PolarHBondContact O-N 3.31Å; C46-A49 PolarHBondContact O-N 2.96Å; A49-I52 WeakPolarHBondContact O-CB 3.29Å; A49-I52 PolarHBondContact O-N 3.34Å; A49-V53 PolarHBondContact O-N 2.84Å; A49-P94 HydrophobicContact CB-CB 4.17Å; A49-P94 HydrophobicContact CB-CG 3.63Å; A49-C110 HydrophobicContact CB-CB 3.74Å; A49-F111 HydrophobicContact CB-CD1 3.78Å; A49-F111 HydrophobicContact CB-CE1 3.78Å
50E96.8Very high96.4Very high20 Ų2050.4 Ų50.49%0.09327%0.27CS..Hα-helixtrans-52.7-47.9-173.6-176.4171.5162.500114.1Y30 K35 C46 I52 V53 R54 Y68Y30-E50 HydrophobicContact CE1-CB 4.45Å; Y30-E50 PolarHBondContact OH-N 3.32Å; K35-E50 WeakPolarHBondContact CE-OE2 3.46Å; K35-E50 IonicContact NZ-OE1 2.78Å; K35-E50 PolarHBondContact NZ-OE1 2.91Å; K35-E50 IonicContact NZ-OE2 3.28Å; K35-E50 PolarHBondContact NZ-OE2 3.3Å; C46-E50 VanDerWaalsContact O-CB 3.3Å; C46-E50 WeakPolarHBondContact O-CB 3.43Å; C46-E50 PolarHBondContact O-N 3.03Å; E50-I52 VanDerWaalsContact C-N 3.27Å; E50-I52 PolarHBondContact O-N 3.1Å; E50-V53 PolarHBondContact O-N 3.42Å; E50-R54 HydrophobicContact CG-CG 4.21Å; E50-R54 VanDerWaalsContact O-CB 3.29Å; E50-R54 WeakPolarHBondContact O-CB 3.07Å; E50-R54 VanDerWaalsContact O-CG 3.28Å; E50-R54 WeakPolarHBondContact O-CG 3.34Å; E50-R54 PolarHBondContact O-N 3.3Å; E50-R54 IonicContact OE1-CZ 3.99Å; E50-R54 IonicContact OE1-NE 3.94Å; E50-R54 PolarHBondContact OE1-NE 3.49Å; E50-R54 IonicContact OE1-NH2 3.95Å; E50-R54 PolarHBondContact OE1-NH2 3.01Å; E50-Y68 VanDerWaalsContact CD-CE2 3.48Å; E50-Y68 HydrophobicContact CG-CE2 4.07Å; E50-Y68 WeakPolarHBondContact OE2-CE2 3.3Å; E50-Y68 PolarHBondContact OE2-OH 2.89Å
51P97.3Very high96.5Very high85 Ų8546.6 Ų46.655%0.55226%0.258SS*.Hα-helixtrans-64.4-30.3177.624.7-34.6000113.3V47 K48 G55V47-P51 VanDerWaalsContact O-CD 3.3Å; V47-P51 WeakPolarHBondContact O-CD 3.39Å; K48-P51 WeakPolarHBondContact O-CD 3.47Å; K48-P51 WeakPolarHBondContact O-CG 3.45Å; P51-G55 PolarHBondContact O-N 2.92Å
52I98.1Very high96.4Very high41 Ų4153.8 Ų53.821%0.2129%0.29CS..Hα-helixtrans-70.9-51.4177.9-63.1166.5000109.5A49 E50 R54 G55 E56 F111 P113 V116A49-I52 WeakPolarHBondContact O-CB 3.29Å; A49-I52 PolarHBondContact O-N 3.34Å; E50-I52 VanDerWaalsContact C-N 3.27Å; E50-I52 PolarHBondContact O-N 3.1Å; I52-R54 VanDerWaalsContact C-N 3.32Å; I52-R54 PolarHBondContact O-N 3.36Å; I52-G55 PolarHBondContact O-N 2.8Å; I52-G55 VanDerWaalsContact O-N 3.13Å; I52-E56 PolarHBondContact O-N 2.83Å; I52-F111 HydrophobicContact CD1-CB 4.32Å; I52-P113 HydrophobicContact CG2-CB 4.23Å; I52-P113 HydrophobicContact CG2-CG 3.84Å; I52-V116 HydrophobicContact CG2-CG2 4.49Å
53V97.8Very high96.3Very high1 Ų152.2 Ų52.21%0.00630%0.297CS..Hα-helixtrans-60.6-43.3178.3176.90000111.2Y30 A49 E50 G55 E56 F66 L96 C110 V116 F120Y30-V53 HydrophobicContact CD2-CB 4.4Å; Y30-V53 HydrophobicContact CD2-CG1 4.03Å; Y30-V53 HydrophobicContact CD2-CG2 4.12Å; Y30-V53 HydrophobicContact CE2-CB 4.31Å; Y30-V53 HydrophobicContact CE2-CG1 4.44Å; Y30-V53 HydrophobicContact CE2-CG2 3.81Å; Y30-V53 HydrophobicContact CG-CG1 4.42Å; A49-V53 PolarHBondContact O-N 2.84Å; E50-V53 PolarHBondContact O-N 3.42Å; V53-G55 VanDerWaalsContact C-N 3.31Å; V53-G55 PolarHBondContact O-N 2.83Å; V53-E56 PolarHBondContact O-N 3.17Å; V53-F66 HydrophobicContact CG1-CE2 3.93Å; V53-F66 HydrophobicContact CG1-CZ 3.94Å; V53-L96 HydrophobicContact CG1-CD1 4.32Å; V53-L96 HydrophobicContact CG1-CD2 4.37Å; V53-C110 HydrophobicContact CG2-CB 4.36Å; V53-V116 HydrophobicContact CG1-CG1 4.49Å; V53-V116 HydrophobicContact CG2-CG1 4.42Å; V53-V116 HydrophobicContact CG2-CG2 4.09Å; V53-F120 HydrophobicContact CG1-CZ 4.21Å
54R96.6Very high96.3Very high84 Ų8452 Ų5232%0.31730%0.295SS..Hα-helixtrans-65.2-34.4176.7-73.5-174.9178.6-74.1-1.6112.9E50 I52 E56 L57 Y68E50-R54 HydrophobicContact CG-CG 4.21Å; E50-R54 VanDerWaalsContact O-CB 3.29Å; E50-R54 WeakPolarHBondContact O-CB 3.07Å; E50-R54 VanDerWaalsContact O-CG 3.28Å; E50-R54 WeakPolarHBondContact O-CG 3.34Å; E50-R54 PolarHBondContact O-N 3.3Å; E50-R54 IonicContact OE1-CZ 3.99Å; E50-R54 IonicContact OE1-NE 3.94Å; E50-R54 PolarHBondContact OE1-NE 3.49Å; E50-R54 IonicContact OE1-NH2 3.95Å; E50-R54 PolarHBondContact OE1-NH2 3.01Å; I52-R54 VanDerWaalsContact C-N 3.32Å; I52-R54 PolarHBondContact O-N 3.36Å; R54-E56 PolarHBondContact O-N 2.84Å; R54-L57 HydrophobicContact CB-CD1 4.31Å; R54-L57 HydrophobicContact CG-CD1 4.28Å; R54-L57 WeakPolarHBondContact O-CG 3.37Å; R54-L57 PolarHBondContact O-N 2.86Å; R54-Y68 VanDerWaalsContact NH2-CD2 3.35Å
55G96.7Very high96.4Very high47 Ų4747.2 Ų47.249%0.48526%0.264SS..Hα-helixtrans-62.6-30.3177.400000113.2P51 I52 V53P51-G55 PolarHBondContact O-N 2.92Å; I52-G55 PolarHBondContact O-N 2.8Å; I52-G55 VanDerWaalsContact O-N 3.13Å; V53-G55 VanDerWaalsContact C-N 3.31Å; V53-G55 PolarHBondContact O-N 2.83Å
56E97.3Very high96.4Very high36 Ų3644.2 Ų44.217%0.16825%0.248CC..THydrogen-bonded Turntrans-92.1-3.6-177.8-61.2-52.4140.800114.3I52 V53 R54 T58 H59 P113 V116 F120I52-E56 PolarHBondContact O-N 2.83Å; V53-E56 PolarHBondContact O-N 3.17Å; R54-E56 PolarHBondContact O-N 2.84Å; E56-T58 PolarHBondContact O-N 2.9Å; E56-H59 WeakPolarHBondContact O-CB 3.44Å; E56-H59 PolarHBondContact O-N 3.4Å; E56-H59 PolarHBondContact O-ND1 3.05Å; E56-H59 IonicContact OE2-CE1 2.99Å; E56-H59 PolarHBondContact OE2-CE1 3.04Å; E56-H59 IonicContact OE2-ND1 2.74Å; E56-H59 PolarHBondContact OE2-ND1 3.06Å; E56-P113 HydrophobicContact CG-CB 4.47Å; E56-V116 HydrophobicContact CB-CB 4.39Å; E56-V116 HydrophobicContact CB-CG1 3.59Å; E56-V116 HydrophobicContact CG-CB 4.12Å; E56-V116 HydrophobicContact CG-CG1 3.82Å; E56-F120 HydrophobicContact CB-CD2 3.92Å; E56-F120 HydrophobicContact CB-CE2 3.76Å; E56-F120 VanDerWaalsContact O-CD2 3.3Å; E56-F120 WeakPolarHBondContact O-CD2 3.09Å
57L96Very high96.5Very high6 Ų644.2 Ų44.23%0.03125%0.248CC..G310 helixtrans-58.8-22.6-176.3-64.9175.2000113.7Y4 R54 H59 L60 F66 F120Y4-L57 WeakPolarHBondContact CD1-O 3.46Å; Y4-L57 HydrophobicContact CE1-CB 4.14Å; Y4-L57 WeakPolarHBondContact CE1-O 3.08Å; Y4-L57 HydrophobicContact CE2-CB 3.92Å; Y4-L57 HydrophobicContact CE2-CD1 4.19Å; Y4-L57 WeakPolarHBondContact OH-CB 3.39Å; R54-L57 HydrophobicContact CB-CD1 4.31Å; R54-L57 HydrophobicContact CG-CD1 4.28Å; R54-L57 WeakPolarHBondContact O-CG 3.37Å; R54-L57 PolarHBondContact O-N 2.86Å; L57-H59 PolarHBondContact O-N 3.42Å; L57-L60 HydrophobicContact CB-CD1 4.17Å; L57-L60 HydrophobicContact CD2-CD1 3.61Å; L57-L60 HydrophobicContact CD2-CG 4.46Å; L57-L60 HydrophobicContact CG-CD1 4.48Å; L57-L60 VanDerWaalsContact O-CB 3.29Å; L57-L60 WeakPolarHBondContact O-CB 3.4Å; L57-L60 WeakPolarHBondContact O-CG 3.35Å; L57-L60 PolarHBondContact O-N 3.01Å; L57-L60 VanDerWaalsContact O-N 3.12Å; L57-F66 HydrophobicContact CD1-CD1 4.25Å; L57-F66 HydrophobicContact CD1-CE1 4.35Å; L57-F66 HydrophobicContact CD2-CB 4.16Å; L57-F66 HydrophobicContact CD2-CD1 3.89Å; L57-F66 HydrophobicContact CD2-CD2 3.41Å; L57-F66 VanDerWaalsContact CD2-CD2 3.41Å; L57-F66 HydrophobicContact CD2-CE1 4.09Å; L57-F66 HydrophobicContact CD2-CE2 3.64Å; L57-F66 HydrophobicContact CD2-CG 3.54Å; L57-F66 HydrophobicContact CD2-CZ 3.97Å; L57-F120 HydrophobicContact CD2-CE2 4.15Å; L57-F120 HydrophobicContact CD2-CZ 3.98Å
58T94.5Very high96.6Very high108 Ų10841.8 Ų41.866%0.66323%0.233SC*.G310 helixtrans-64.4-16.7174.853.50000113.6E56E56-T58 PolarHBondContact O-N 2.9Å
59H95.4Very high96.7Very high64 Ų6436 Ų3630%0.29621%0.208SC..G310 helixtrans-90.9-1.4176.8-59.3106.5000113.3E56 L57 K117 F120 T121E56-H59 WeakPolarHBondContact O-CB 3.44Å; E56-H59 PolarHBondContact O-N 3.4Å; E56-H59 PolarHBondContact O-ND1 3.05Å; E56-H59 IonicContact OE2-CE1 2.99Å; E56-H59 PolarHBondContact OE2-CE1 3.04Å; E56-H59 IonicContact OE2-ND1 2.74Å; E56-H59 PolarHBondContact OE2-ND1 3.06Å; L57-H59 PolarHBondContact O-N 3.42Å; H59-K117 HydrophobicContact CB-CG 4.42Å; H59-K117 WeakPolarHBondContact NE2-CE 3.45Å; H59-K117 PolarHBondContact NE2-NZ 3.2Å; H59-F120 HydrophobicContact CB-CB 4.34Å; H59-T121 HydrophobicContact CB-CG2 4.02Å
60L95.8Very high96.7Very high15 Ų1538.1 Ų38.18%0.07922%0.218CC..SBendtrans-61144.5177.5-82.7169.7000111.7Y4 F28 L57 F66 F120Y4-L60 HydrophobicContact CD1-CB 4.13Å; Y4-L60 HydrophobicContact CD1-CD1 4.21Å; Y4-L60 HydrophobicContact CD2-CD1 3.77Å; Y4-L60 HydrophobicContact CE2-CD1 4.33Å; Y4-L60 HydrophobicContact CG-CB 4.15Å; Y4-L60 HydrophobicContact CG-CD1 3.71Å; F28-L60 HydrophobicContact CB-CD2 4.16Å; F28-L60 HydrophobicContact CD1-CD2 4.3Å; F28-L60 HydrophobicContact CD2-CD2 3.24Å; F28-L60 HydrophobicContact CE2-CD2 3.6Å; F28-L60 HydrophobicContact CG-CD2 3.62Å; F28-L60 HydrophobicContact CZ-CD2 4.26Å; L57-L60 HydrophobicContact CB-CD1 4.17Å; L57-L60 HydrophobicContact CD2-CD1 3.61Å; L57-L60 HydrophobicContact CD2-CG 4.46Å; L57-L60 HydrophobicContact CG-CD1 4.48Å; L57-L60 VanDerWaalsContact O-CB 3.29Å; L57-L60 WeakPolarHBondContact O-CB 3.4Å; L57-L60 WeakPolarHBondContact O-CG 3.35Å; L57-L60 PolarHBondContact O-N 3.01Å; L57-L60 VanDerWaalsContact O-N 3.12Å; L60-F66 HydrophobicContact CD1-CB 3.85Å; L60-F66 HydrophobicContact CD1-CD2 4.48Å; L60-F66 HydrophobicContact CD1-CG 4.46Å; L60-F120 HydrophobicContact CD2-CB 4.2Å; L60-F120 HydrophobicContact CD2-CD1 3.43Å; L60-F120 VanDerWaalsContact CD2-CD1 3.43Å; L60-F120 HydrophobicContact CD2-CD2 4.39Å; L60-F120 HydrophobicContact CD2-CE1 3.78Å; L60-F120 HydrophobicContact CD2-CG 3.77Å; L60-F120 HydrophobicContact CD2-CZ 4.4Å; L60-F120 HydrophobicContact CG-CD1 4.17Å; L60-F120 HydrophobicContact CG-CD2 4.26Å; L60-F120 HydrophobicContact CG-CE1 4.41Å; L60-F120 HydrophobicContact CG-CE2 4.49Å; L60-F120 HydrophobicContact CG-CG 4.09Å
61P94.1Very high96.7Very high42 Ų4237.1 Ų37.127%0.27321%0.213SC..PPolyproline II helixtrans-61149.5178-20.933.6000111.4F28 G63 S64 F120F28-P61 HydrophobicContact CE2-CG 4.16Å; F28-P61 HydrophobicContact CZ-CG 4.26Å; P61-G63 PolarHBondContact O-N 3.35Å; P61-S64 WeakPolarHBondContact O-CB 3.39Å; P61-S64 PolarHBondContact O-N 3.38Å; P61-S64 VanDerWaalsContact O-N 3.11Å; P61-S64 PolarHBondContact O-OG 2.89Å; P61-F120 VanDerWaalsContact CD-O 3.24Å; P61-F120 WeakPolarHBondContact CD-O 3.43Å; P61-F120 WeakPolarHBondContact CG-O 3.46Å
62E93.8Very high96.7Very high158 Ų15833.6 Ų33.674%0.73819%0.192SC*.THydrogen-bonded Turntrans-57.6129.7177-174.2173.4150.200111.5A2 S64A2-E62 HydrophobicContact CB-CG 3.19Å; A2-E62 WeakPolarHBondContact CB-OE1 3.32Å; E62-S64 PolarHBondContact O-N 3.19Å
63G93.7Very high96.6Very high40 Ų4035.6 Ų35.641%0.41220%0.203SC..THydrogen-bonded Turntrans75.8318000000115.3G3 P61G3-G63 PolarHBondContact O-N 3.25Å; P61-G63 PolarHBondContact O-N 3.35Å
64S96.3Very high96.6Very high2 Ų242 Ų421%0.01423%0.227CC..  trans-71.2170.6172.768.90000112.7Y4 E5 D26 P61 E62Y4-S64 WeakPolarHBondContact CA-O 2.82Å; E5-S64 PolarHBondContact N-O 3.4Å; D26-S64 CarbonylContact O-C 3.58Å; D26-S64 WeakPolarHBondContact O-CA 3.36Å; D26-S64 WeakPolarHBondContact O-CB 3.49Å; P61-S64 WeakPolarHBondContact O-CB 3.39Å; P61-S64 PolarHBondContact O-N 3.38Å; P61-S64 VanDerWaalsContact O-N 3.11Å; P61-S64 PolarHBondContact O-OG 2.89Å; E62-S64 PolarHBondContact O-N 3.19Å
65V98Very high96.6Very high0 Ų042.3 Ų42.30%024%0.24CC..EExtended strand (participates in β ladder)trans-125.7128.7-178.6-176.20000109.2E5 V7 R22 K25 D26 I27 F28 I67E5-V65 HydrophobicContact CB-CG1 4.47Å; E5-V65 HydrophobicContact CB-CG2 4.33Å; E5-V65 CarbonylContact O-C 3.49Å; E5-V65 WeakPolarHBondContact O-CA 3.42Å; V7-V65 HydrophobicContact CG2-CG1 3.78Å; R22-V65 HydrophobicContact CB-CG2 4.23Å; R22-V65 HydrophobicContact CG-CG2 4.28Å; K25-V65 HydrophobicContact CB-CG2 3.89Å; K25-V65 HydrophobicContact CD-CG2 3.38Å; K25-V65 HydrophobicContact CG-CG2 4.3Å; D26-V65 PolarHBondContact O-N 3.45Å; I27-V65 CarbonylContact C-O 3.54Å; I27-V65 WeakPolarHBondContact CA-O 3.08Å; I27-V65 HydrophobicContact CG1-CB 4.15Å; I27-V65 HydrophobicContact CG1-CG2 4.41Å; F28-V65 PolarHBondContact N-O 3.31Å; V65-I67 HydrophobicContact CG1-CD1 4.45Å; V65-I67 HydrophobicContact CG1-CG1 3.81Å
66F98.4Very high96.6Very high1 Ų143.4 Ų43.40%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-100.9118.8165.6-175.8-104.1000110.5E5 V6 V7 F28 Y30 V53 L57 L60 L96 F120E5-F66 PolarHBondContact O-N 3.35Å; V6-F66 CarbonylContact C-O 3.59Å; V6-F66 WeakPolarHBondContact CA-O 3.44Å; V6-F66 HydrophobicContact CG1-CD1 4.33Å; V7-F66 PolarHBondContact N-O 2.77Å; F28-F66 HydrophobicContact CB-CD2 4.2Å; F28-F66 CarbonylContact O-C 3.56Å; F28-F66 WeakPolarHBondContact O-CA 3.11Å; Y30-F66 VanDerWaalsContact CB-CZ 3.47Å; Y30-F66 HydrophobicContact CG-CZ 4.16Å; V53-F66 HydrophobicContact CG1-CE2 3.93Å; V53-F66 HydrophobicContact CG1-CZ 3.94Å; L57-F66 HydrophobicContact CD1-CD1 4.25Å; L57-F66 HydrophobicContact CD1-CE1 4.35Å; L57-F66 HydrophobicContact CD2-CB 4.16Å; L57-F66 HydrophobicContact CD2-CD1 3.89Å; L57-F66 HydrophobicContact CD2-CD2 3.41Å; L57-F66 VanDerWaalsContact CD2-CD2 3.41Å; L57-F66 HydrophobicContact CD2-CE1 4.09Å; L57-F66 HydrophobicContact CD2-CE2 3.64Å; L57-F66 HydrophobicContact CD2-CG 3.54Å; L57-F66 HydrophobicContact CD2-CZ 3.97Å; L60-F66 HydrophobicContact CD1-CB 3.85Å; L60-F66 HydrophobicContact CD1-CD2 4.48Å; L60-F66 HydrophobicContact CD1-CG 4.46Å; F66-L96 HydrophobicContact CE2-CD1 4.08Å; F66-F120 HydrophobicContact CE2-CZ 4.47Å
67I98.6Very high96.6Very high0 Ų042.9 Ų42.90%023%0.226CC..EExtended strand (participates in β ladder)trans-105.2113.5175.9-56.3-179000109.1V7 V9 F15 A18 V19 I27 F28 A29 Y30 V65 C69V7-I67 HydrophobicContact CB-CG1 4.26Å; V7-I67 HydrophobicContact CG2-CG1 4.49Å; V7-I67 CarbonylContact O-C 3.6Å; V7-I67 WeakPolarHBondContact O-CA 3.34Å; V9-I67 HydrophobicContact CG2-CG2 3.64Å; F15-I67 HydrophobicContact CD2-CG2 4.08Å; F15-I67 HydrophobicContact CE2-CD1 4.4Å; F15-I67 HydrophobicContact CE2-CG2 4.44Å; A18-I67 HydrophobicContact CB-CD1 4.08Å; V19-I67 HydrophobicContact CG2-CD1 3.89Å; I27-I67 HydrophobicContact CG2-CD1 3.57Å; I27-I67 HydrophobicContact CG2-CG1 4Å; F28-I67 PolarHBondContact O-N 3Å; A29-I67 CarbonylContact C-O 3.57Å; A29-I67 WeakPolarHBondContact CA-O 3.42Å; Y30-I67 PolarHBondContact N-O 2.82Å; V65-I67 HydrophobicContact CG1-CD1 4.45Å; V65-I67 HydrophobicContact CG1-CG1 3.81Å; I67-C69 HydrophobicContact CG2-CB 4.48Å
68Y98.6Very high96.7Very high5 Ų549 Ų492%0.0225%0.253CS..EExtended strand (participates in β ladder)trans-86.4108.9166.4-172.8-85.2000109.1V7 N8 V9 Y30 S32 K35 E50 R54 Q70V7-Y68 PolarHBondContact O-N 3.28Å; N8-Y68 WeakPolarHBondContact CA-O 3.34Å; N8-Y68 WeakPolarHBondContact OD1-CB 3.11Å; V9-Y68 PolarHBondContact N-O 3.16Å; Y30-Y68 AromaticContact CD1-CD2 3.5Å; Y30-Y68 HydrophobicContact CD1-CD2 3.5Å; Y30-Y68 AromaticContact CD1-CE2 3.48Å; Y30-Y68 HydrophobicContact CD1-CE2 3.48Å; Y30-Y68 VanDerWaalsContact CD1-CE2 3.48Å; Y30-Y68 HydrophobicContact CD1-CG 4.49Å; Y30-Y68 HydrophobicContact CE1-CD2 4.05Å; Y30-Y68 AromaticContact CE1-CE2 3.53Å; Y30-Y68 HydrophobicContact CE1-CE2 3.53Å; S32-Y68 WeakPolarHBondContact CB-OH 3.21Å; S32-Y68 PolarHBondContact OG-OH 2.82Å; S32-Y68 VanDerWaalsContact OG-OH 3.1Å; K35-Y68 WeakPolarHBondContact CE-OH 3.31Å; E50-Y68 VanDerWaalsContact CD-CE2 3.48Å; E50-Y68 HydrophobicContact CG-CE2 4.07Å; E50-Y68 WeakPolarHBondContact OE2-CE2 3.3Å; E50-Y68 PolarHBondContact OE2-OH 2.89Å; R54-Y68 VanDerWaalsContact NH2-CD2 3.35Å; Y68-Q70 HydrophobicContact CD1-CG 4.22Å; Y68-Q70 HydrophobicContact CE1-CG 3.63Å
69C98.6Very high96.8Very high0 Ų047.1 Ų47.10%024%0.239CC..EExtended strand (participates in β ladder)trans-109.9115.3-177.4-177.80000111V9 F15 Y30 F31 S32 I67V9-C69 HydrophobicContact CG2-CB 3.73Å; F15-C69 HydrophobicContact CD2-CB 4.26Å; Y30-C69 PolarHBondContact O-N 3.49Å; F31-C69 WeakPolarHBondContact CA-O 3.44Å; F31-C69 HydrophobicContact CD1-CB 3.65Å; F31-C69 HydrophobicContact CE1-CB 3.86Å; S32-C69 PolarHBondContact N-O 3.2Å; I67-C69 HydrophobicContact CG2-CB 4.48Å
70Q98.4Very high96.8Very high45 Ų4548.6 Ų48.621%0.2125%0.254CS..EExtended strand (participates in β ladder)trans-78.9120.8168-68.7-173.286.300109.3V9 H10 G11 S32 N34 Y68 G72V9-Q70 PolarHBondContact O-N 2.92Å; H10-Q70 HydrophobicContact CB-CB 4.48Å; H10-Q70 PolarHBondContact CD2-O 3.15Å; G11-Q70 PolarHBondContact N-O 2.8Å; S32-Q70 CarbonylContact O-C 3.5Å; S32-Q70 WeakPolarHBondContact O-CA 3.39Å; N34-Q70 WeakPolarHBondContact OD1-CB 3.48Å; Y68-Q70 HydrophobicContact CD1-CG 4.22Å; Y68-Q70 HydrophobicContact CE1-CG 3.63Å; Q70-G72 VanDerWaalsContact C-N 3.27Å; Q70-G72 PolarHBondContact O-N 3.08Å
71V97.9Very high96.8Very high0 Ų052.8 Ų52.80%028%0.276CS..  trans-79.5-6.5-171-59.10000114.1F31 S32 W42 Y76 W77 F84 V93F31-V71 HydrophobicContact CB-CG1 3.8Å; F31-V71 HydrophobicContact CD1-CG1 4.11Å; F31-V71 HydrophobicContact CG-CG1 4.42Å; S32-V71 WeakPolarHBondContact O-CG2 3.38Å; S32-V71 PolarHBondContact O-N 2.92Å; W42-V71 HydrophobicContact CZ2-CG2 4.31Å; V71-Y76 WeakPolarHBondContact O-CD1 3.46Å; V71-Y76 WeakPolarHBondContact O-CE1 3.31Å; V71-W77 HydrophobicContact CB-CE3 4.02Å; V71-W77 HydrophobicContact CB-CZ3 4.37Å; V71-W77 HydrophobicContact CG1-CE3 4.4Å; V71-W77 HydrophobicContact CG1-CZ3 4.29Å; V71-W77 HydrophobicContact CG2-CB 4.39Å; V71-W77 HydrophobicContact CG2-CD2 4.16Å; V71-W77 HydrophobicContact CG2-CE3 3.69Å; V71-W77 HydrophobicContact CG2-CG 4.46Å; V71-W77 HydrophobicContact CG2-CZ3 4.38Å; V71-F84 HydrophobicContact CB-CD2 4.08Å; V71-F84 HydrophobicContact CB-CE2 3.9Å; V71-F84 HydrophobicContact CB-CZ 4.29Å; V71-F84 HydrophobicContact CG1-CD1 4.5Å; V71-F84 HydrophobicContact CG1-CD2 4.4Å; V71-F84 HydrophobicContact CG1-CE1 4.43Å; V71-F84 HydrophobicContact CG1-CE2 4.31Å; V71-F84 HydrophobicContact CG1-CG 4.49Å; V71-F84 HydrophobicContact CG1-CZ 4.32Å; V71-F84 VanDerWaalsContact O-CE2 3.32Å; V71-F84 WeakPolarHBondContact O-CE2 3.44Å; V71-V93 HydrophobicContact CG1-CG1 4.02Å; V71-V93 HydrophobicContact CG2-CG1 4.16Å
72G96.4Very high97Very high10 Ų1051 Ų5110%0.10326%0.264CS..  trans110.2-173.3-170.700000112.8N34 W42 Q70N34-G72 WeakPolarHBondContact CB-O 3.21Å; N34-G72 PolarHBondContact N-O 2.94Å; N34-G72 WeakPolarHBondContact OD1-CA 3.41Å; N34-G72 PolarHBondContact OD1-N 3.21Å; N34-G72 PolarHBondContact OD1-O 2.8Å; W42-G72 PolarHBondContact NE1-O 2.98Å; Q70-G72 VanDerWaalsContact C-N 3.27Å; Q70-G72 PolarHBondContact O-N 3.08Å
73D96.7Very high97.2Very high83 Ų8347 Ų4744%0.44425%0.248SC..  trans-72.8166.6178.371.40.7000112Y76 W77D73-Y76 PolarHBondContact O-N 2.89Å; D73-Y76 WeakPolarHBondContact OD1-CB 3.35Å; D73-Y76 PolarHBondContact OD1-N 2.68Å; D73-W77 PolarHBondContact O-N 2.88Å
74R96.2Very high97.3Very high137 Ų13745.1 Ų45.152%0.51723%0.229SC..Hα-helixtrans-61.2-40.6-178.6-171.4177.4-175.5-1682.4113W42 W77 K78W42-R74 HydrophobicContact CD2-CB 3.7Å; W42-R74 HydrophobicContact CD2-CG 4.16Å; W42-R74 HydrophobicContact CE3-CB 3.81Å; W42-R74 HydrophobicContact CE3-CG 3.71Å; W42-R74 HydrophobicContact CG-CB 4.12Å; W42-R74 HydrophobicContact CH2-CG 4.44Å; W42-R74 HydrophobicContact CZ2-CB 4.43Å; W42-R74 HydrophobicContact CZ3-CB 4.27Å; W42-R74 HydrophobicContact CZ3-CG 3.88Å; R74-W77 PolarHBondContact O-N 3.48Å; R74-K78 WeakPolarHBondContact O-CG 3.3Å; R74-K78 PolarHBondContact O-N 2.97Å
75P97.3Very high97.4Very high90 Ų9047.2 Ų47.258%0.58424%0.238SC*.Hα-helixtrans-57-49.9172.9-27.836.1000113.7W77 K78 D79P75-W77 VanDerWaalsContact C-N 3.34Å; P75-W77 PolarHBondContact O-N 3.17Å; P75-K78 PolarHBondContact O-N 3.37Å; P75-K78 VanDerWaalsContact O-N 3.14Å; P75-D79 PolarHBondContact O-N 3.45Å
76Y97.3Very high97.3Very high70 Ų7052.8 Ų52.828%0.27526%0.262SS..Hα-helixtrans-59.7-44.7176.8175-97.6000111.5V71 D73 K78 D79 N82 D83 F84V71-Y76 WeakPolarHBondContact O-CD1 3.46Å; V71-Y76 WeakPolarHBondContact O-CE1 3.31Å; D73-Y76 PolarHBondContact O-N 2.89Å; D73-Y76 WeakPolarHBondContact OD1-CB 3.35Å; D73-Y76 PolarHBondContact OD1-N 2.68Å; Y76-K78 VanDerWaalsContact C-N 3.27Å; Y76-K78 PolarHBondContact O-N 2.92Å; Y76-D79 WeakPolarHBondContact O-CB 3.44Å; Y76-D79 PolarHBondContact O-N 3.35Å; Y76-N82 HydrophobicContact CD1-CB 4.33Å; Y76-N82 HydrophobicContact CD2-CB 4.28Å; Y76-N82 HydrophobicContact CE1-CB 3.87Å; Y76-N82 HydrophobicContact CE2-CB 3.8Å; Y76-N82 PolarHBondContact O-ND2 2.99Å; Y76-D83 PolarHBondContact OH-N 3.47Å; Y76-D83 PolarHBondContact OH-OD2 2.89Å; Y76-F84 AromaticContact CE1-CD2 3.86Å; Y76-F84 HydrophobicContact CE1-CD2 3.86Å; Y76-F84 AromaticContact CE1-CE2 3.96Å; Y76-F84 HydrophobicContact CE1-CE2 3.96Å
77W97.6Very high97.1Very high24 Ų2456 Ų569%0.09128%0.282CS..Hα-helixtrans-61.2-34.8176.9179.5-107.8000112.8W42 V71 D73 R74 P75 D79 N82 F84 K85 L90 G92 V93W42-W77 HydrophobicContact CH2-CB 3.86Å; W42-W77 AromaticContact CH2-CD1 3.51Å; W42-W77 AromaticContact CH2-CG 3.74Å; W42-W77 HydrophobicContact CH2-CG 3.74Å; W42-W77 HydrophobicContact CZ2-CB 3.78Å; W42-W77 HydrophobicContact CZ2-CG 4.06Å; V71-W77 HydrophobicContact CB-CE3 4.02Å; V71-W77 HydrophobicContact CB-CZ3 4.37Å; V71-W77 HydrophobicContact CG1-CE3 4.4Å; V71-W77 HydrophobicContact CG1-CZ3 4.29Å; V71-W77 HydrophobicContact CG2-CB 4.39Å; V71-W77 HydrophobicContact CG2-CD2 4.16Å; V71-W77 HydrophobicContact CG2-CE3 3.69Å; V71-W77 HydrophobicContact CG2-CG 4.46Å; V71-W77 HydrophobicContact CG2-CZ3 4.38Å; D73-W77 PolarHBondContact O-N 2.88Å; R74-W77 PolarHBondContact O-N 3.48Å; P75-W77 VanDerWaalsContact C-N 3.34Å; P75-W77 PolarHBondContact O-N 3.17Å; W77-D79 VanDerWaalsContact C-N 3.33Å; W77-D79 PolarHBondContact O-N 3.28Å; W77-N82 PolarHBondContact O-ND2 2.72Å; W77-F84 HydrophobicContact CZ3-CB 4.13Å; W77-K85 HydrophobicContact CH2-CG 4.46Å; W77-K85 WeakPolarHBondContact O-CE 3.3Å; W77-K85 PolarHBondContact O-NZ 3.44Å; W77-L90 HydrophobicContact CH2-CB 3.8Å; W77-L90 HydrophobicContact CH2-CD1 4.44Å; W77-L90 HydrophobicContact CZ3-CB 4.43Å; W77-G92 VanDerWaalsContact CZ2-C 3.45Å; W77-V93 HydrophobicContact CD2-CG1 4.24Å; W77-V93 HydrophobicContact CD2-CG2 4.33Å; W77-V93 HydrophobicContact CE3-CG1 4.24Å; W77-V93 HydrophobicContact CH2-CG1 3.74Å; W77-V93 HydrophobicContact CZ2-CB 4.42Å; W77-V93 HydrophobicContact CZ2-CG1 3.76Å; W77-V93 HydrophobicContact CZ2-CG2 4.35Å; W77-V93 HydrophobicContact CZ3-CG1 3.99Å
78K96.3Very high96.8Very high134 Ų13457.7 Ų57.758%0.58329%0.29SS*.Hα-helixtrans-69.1-30178.9-80-178.4175.2-173.40113.1R74 P75 Y76 P80 K85R74-K78 WeakPolarHBondContact O-CG 3.3Å; R74-K78 PolarHBondContact O-N 2.97Å; P75-K78 PolarHBondContact O-N 3.37Å; P75-K78 VanDerWaalsContact O-N 3.14Å; Y76-K78 VanDerWaalsContact C-N 3.27Å; Y76-K78 PolarHBondContact O-N 2.92Å; K78-P80 WeakPolarHBondContact O-CD 3.47Å; K78-K85 PolarHBondContact O-NZ 2.96Å
79D97.4Very high96.6Very high70 Ų7064 Ų6437%0.37432%0.318SS..  trans-58.6120.5177.7-173.5-5.9000110.4P75 Y76 W77 N81 N82 K85P75-D79 PolarHBondContact O-N 3.45Å; Y76-D79 WeakPolarHBondContact O-CB 3.44Å; Y76-D79 PolarHBondContact O-N 3.35Å; W77-D79 VanDerWaalsContact C-N 3.33Å; W77-D79 PolarHBondContact O-N 3.28Å; D79-N81 PolarHBondContact O-N 3.44Å; D79-N81 WeakPolarHBondContact OD1-CB 3.47Å; D79-N81 PolarHBondContact OD1-N 3.26Å; D79-N81 PolarHBondContact OD1-ND2 3.48Å; D79-N82 PolarHBondContact O-N 3.44Å; D79-N82 PolarHBondContact O-ND2 3.04Å; D79-K85 PolarHBondContact O-NZ 3.14Å
80P95.9Very high96.5Very high94 Ų9464.3 Ų64.361%0.6132%0.32SS*.THydrogen-bonded Turntrans-64.4-18.2174.627.8-36.2000113.2K78K78-P80 WeakPolarHBondContact O-CD 3.47Å
81N96.4Very high96.4Very high103 Ų10367.1 Ų67.155%0.55134%0.34SS*.THydrogen-bonded Turntrans-93.23.7-178.6-62.3-62.4000114.3D79 K86D79-N81 PolarHBondContact O-N 3.44Å; D79-N81 WeakPolarHBondContact OD1-CB 3.47Å; D79-N81 PolarHBondContact OD1-N 3.26Å; D79-N81 PolarHBondContact OD1-ND2 3.48Å; N81-K86 HydrophobicContact CB-CD 4.22Å; N81-K86 WeakPolarHBondContact O-CD 3.37Å
82N97.3Very high96.3Very high4 Ų467.1 Ų67.12%0.02134%0.34CS..SBendtrans-63.1155.2176.378.650.4000111.8Y76 W77 D79 F84 K85 K86Y76-N82 HydrophobicContact CD1-CB 4.33Å; Y76-N82 HydrophobicContact CD2-CB 4.28Å; Y76-N82 HydrophobicContact CE1-CB 3.87Å; Y76-N82 HydrophobicContact CE2-CB 3.8Å; Y76-N82 PolarHBondContact O-ND2 2.99Å; W77-N82 PolarHBondContact O-ND2 2.72Å; D79-N82 PolarHBondContact O-N 3.44Å; D79-N82 PolarHBondContact O-ND2 3.04Å; N82-F84 PolarHBondContact O-N 2.87Å; N82-F84 PolarHBondContact OD1-N 3.37Å; N82-K85 PolarHBondContact O-N 3.08Å; N82-K85 WeakPolarHBondContact OD1-CG 3.3Å; N82-K85 PolarHBondContact OD1-N 3.18Å; N82-K86 PolarHBondContact O-N 3.28Å
83D97.5Very high96.4Very high75 Ų7567 Ų6740%0.40134%0.337SS..Hα-helixtrans-61.6-43.5-170.6-64.2-51.7000111.9Y12 Y76 K85 K86 T87Y12-D83 HydrophobicContact CD1-CB 3.49Å; Y12-D83 VanDerWaalsContact CD1-CB 3.49Å; Y12-D83 HydrophobicContact CD2-CB 4.01Å; Y12-D83 HydrophobicContact CE1-CB 4.05Å; Y12-D83 HydrophobicContact CG-CB 3.46Å; Y12-D83 VanDerWaalsContact CG-CB 3.46Å; Y76-D83 PolarHBondContact OH-N 3.47Å; Y76-D83 PolarHBondContact OH-OD2 2.89Å; D83-K85 VanDerWaalsContact C-N 3.33Å; D83-K85 PolarHBondContact O-N 2.81Å; D83-K86 PolarHBondContact O-N 3.47Å; D83-K86 VanDerWaalsContact O-N 3.16Å; D83-T87 WeakPolarHBondContact O-CB 3.42Å; D83-T87 WeakPolarHBondContact O-CG2 3.34Å; D83-T87 PolarHBondContact O-N 3.42Å; D83-T87 PolarHBondContact O-OG1 3.35Å
84F97.4Very high96.4Very high0 Ų063 Ų630%032%0.316CS..Hα-helixtrans-56-44.7178.9-64.4-79.1000112.6Y12 F31 V71 Y76 W77 N82 L88 K89 L90Y12-F84 AromaticContact CD2-CD1 3.92Å; Y12-F84 HydrophobicContact CD2-CD1 3.92Å; Y12-F84 AromaticContact CD2-CE1 3.98Å; Y12-F84 HydrophobicContact CD2-CE1 3.98Å; Y12-F84 HydrophobicContact CD2-CG 4.34Å; Y12-F84 HydrophobicContact CD2-CZ 4.48Å; F31-F84 AromaticContact CD1-CD1 3.95Å; F31-F84 HydrophobicContact CD1-CD1 3.95Å; F31-F84 AromaticContact CD1-CE1 3.84Å; F31-F84 HydrophobicContact CD1-CE1 3.84Å; F31-F84 AromaticContact CE1-CD1 3.86Å; F31-F84 HydrophobicContact CE1-CD1 3.86Å; F31-F84 AromaticContact CE1-CE1 3.72Å; F31-F84 HydrophobicContact CE1-CE1 3.72Å; V71-F84 HydrophobicContact CB-CD2 4.08Å; V71-F84 HydrophobicContact CB-CE2 3.9Å; V71-F84 HydrophobicContact CB-CZ 4.29Å; V71-F84 HydrophobicContact CG1-CD1 4.5Å; V71-F84 HydrophobicContact CG1-CD2 4.4Å; V71-F84 HydrophobicContact CG1-CE1 4.43Å; V71-F84 HydrophobicContact CG1-CE2 4.31Å; V71-F84 HydrophobicContact CG1-CG 4.49Å; V71-F84 HydrophobicContact CG1-CZ 4.32Å; V71-F84 VanDerWaalsContact O-CE2 3.32Å; V71-F84 WeakPolarHBondContact O-CE2 3.44Å; Y76-F84 AromaticContact CE1-CD2 3.86Å; Y76-F84 HydrophobicContact CE1-CD2 3.86Å; Y76-F84 AromaticContact CE1-CE2 3.96Å; Y76-F84 HydrophobicContact CE1-CE2 3.96Å; W77-F84 HydrophobicContact CZ3-CB 4.13Å; N82-F84 PolarHBondContact O-N 2.87Å; N82-F84 PolarHBondContact OD1-N 3.37Å; F84-L88 HydrophobicContact CD1-CD1 4.08Å; F84-L88 CarbonylContact O-C 3.56Å; F84-L88 WeakPolarHBondContact O-CA 3.44Å; F84-L88 VanDerWaalsContact O-CB 3.31Å; F84-L88 WeakPolarHBondContact O-CB 3.33Å; F84-L88 PolarHBondContact O-N 2.87Å; F84-K89 PolarHBondContact O-N 2.99Å; F84-L90 HydrophobicContact CB-CD1 4.07Å; F84-L90 HydrophobicContact CB-CG 4.48Å; F84-L90 HydrophobicContact CD1-CD1 4.26Å
85K96.6Very high96.6Very high47 Ų4756.5 Ų56.520%0.20429%0.292CS..Hα-helixtrans-71.6-39.8178.1-68.6-176.3-177.8170.80112.1W77 K78 D79 N82 D83 K89 L90W77-K85 HydrophobicContact CH2-CG 4.46Å; W77-K85 WeakPolarHBondContact O-CE 3.3Å; W77-K85 PolarHBondContact O-NZ 3.44Å; K78-K85 PolarHBondContact O-NZ 2.96Å; D79-K85 PolarHBondContact O-NZ 3.14Å; N82-K85 PolarHBondContact O-N 3.08Å; N82-K85 WeakPolarHBondContact OD1-CG 3.3Å; N82-K85 PolarHBondContact OD1-N 3.18Å; D83-K85 VanDerWaalsContact C-N 3.33Å; D83-K85 PolarHBondContact O-N 2.81Å; K85-K89 VanDerWaalsContact O-CA 3.3Å; K85-K89 WeakPolarHBondContact O-CA 3.5Å; K85-K89 PolarHBondContact O-N 3.34Å; K85-L90 WeakPolarHBondContact CG-O 3.36Å
86K96.3Very high96.6Very high116 Ų11652.2 Ų52.250%0.50426%0.264SS..Hα-helixtrans-71.1-43.2-178.3-72.5-17575.1177.90112.4N81 N82 D83 K89N81-K86 HydrophobicContact CB-CD 4.22Å; N81-K86 WeakPolarHBondContact O-CD 3.37Å; N82-K86 PolarHBondContact O-N 3.28Å; D83-K86 PolarHBondContact O-N 3.47Å; D83-K86 VanDerWaalsContact O-N 3.16Å; K86-K89 WeakPolarHBondContact O-CE 3.44Å; K86-K89 PolarHBondContact O-NZ 3.29Å
87T93.9Very high96.6Very high69 Ų6949.8 Ų49.842%0.42326%0.256SS..Hα-helixtrans-96.6-44.4-171.167.60000112.6Y12 D83Y12-T87 HydrophobicContact CE1-CG2 4.36Å; Y12-T87 WeakPolarHBondContact CE2-OG1 3.19Å; Y12-T87 VanDerWaalsContact OH-CB 3.31Å; Y12-T87 WeakPolarHBondContact OH-CB 3.34Å; Y12-T87 PolarHBondContact OH-OG1 3.01Å; D83-T87 WeakPolarHBondContact O-CB 3.42Å; D83-T87 WeakPolarHBondContact O-CG2 3.34Å; D83-T87 PolarHBondContact O-N 3.42Å; D83-T87 PolarHBondContact O-OG1 3.35Å
88L93.9Very high96.6Very high35 Ų3549.6 Ų49.618%0.18326%0.255CS..SBendtrans-96.5-5.5-177.2-58.2179.4000112.8Y12 F15 F31 F84 L90 Y99Y12-L88 HydrophobicContact CE2-CD1 4.17Å; Y12-L88 HydrophobicContact CE2-CG 4.09Å; F15-L88 HydrophobicContact CD1-CD1 4.14Å; F15-L88 HydrophobicContact CE1-CD1 3.64Å; F15-L88 HydrophobicContact CE1-CD2 4.3Å; F15-L88 HydrophobicContact CZ-CD1 4.22Å; F31-L88 HydrophobicContact CE1-CD1 3.93Å; F31-L88 HydrophobicContact CE2-CD1 4.41Å; F31-L88 HydrophobicContact CZ-CD1 3.59Å; F84-L88 HydrophobicContact CD1-CD1 4.08Å; F84-L88 CarbonylContact O-C 3.56Å; F84-L88 WeakPolarHBondContact O-CA 3.44Å; F84-L88 VanDerWaalsContact O-CB 3.31Å; F84-L88 WeakPolarHBondContact O-CB 3.33Å; F84-L88 PolarHBondContact O-N 2.87Å; L88-L90 HydrophobicContact CB-CD2 4.11Å; L88-L90 HydrophobicContact CB-CG 3.95Å; L88-L90 PolarHBondContact O-N 3.06Å; L88-Y99 HydrophobicContact CD2-CE2 4.27Å
89K94.5Very high96.6Very high138 Ų13847.8 Ų47.860%0.625%0.245SC*.  trans54.135.2-179.4-50.3-55.3-172.8-168.40112.4F84 K85 K86 T91F84-K89 PolarHBondContact O-N 2.99Å; K85-K89 VanDerWaalsContact O-CA 3.3Å; K85-K89 WeakPolarHBondContact O-CA 3.5Å; K85-K89 PolarHBondContact O-N 3.34Å; K86-K89 WeakPolarHBondContact O-CE 3.44Å; K86-K89 PolarHBondContact O-NZ 3.29Å; K89-T91 PolarHBondContact O-N 3.2Å
90L96.1Very high96.3Very high6 Ų648.2 Ų48.23%0.03127%0.266CS..  trans-66.8134.1173-57-169.6000109.1F31 W77 F84 K85 L88 T95F31-L90 HydrophobicContact CB-CD1 3.94Å; F31-L90 HydrophobicContact CD1-CD1 3.85Å; F31-L90 HydrophobicContact CD2-CD1 3.62Å; F31-L90 HydrophobicContact CD2-CD2 4.24Å; F31-L90 HydrophobicContact CE1-CD1 4.26Å; F31-L90 HydrophobicContact CE2-CD1 4.04Å; F31-L90 HydrophobicContact CE2-CD2 4.27Å; F31-L90 HydrophobicContact CG-CD1 3.5Å; F31-L90 VanDerWaalsContact CG-CD1 3.5Å; F31-L90 HydrophobicContact CZ-CD1 4.34Å; W77-L90 HydrophobicContact CH2-CB 3.8Å; W77-L90 HydrophobicContact CH2-CD1 4.44Å; W77-L90 HydrophobicContact CZ3-CB 4.43Å; F84-L90 HydrophobicContact CB-CD1 4.07Å; F84-L90 HydrophobicContact CB-CG 4.48Å; F84-L90 HydrophobicContact CD1-CD1 4.26Å; K85-L90 WeakPolarHBondContact CG-O 3.36Å; L88-L90 HydrophobicContact CB-CD2 4.11Å; L88-L90 HydrophobicContact CB-CG 3.95Å; L88-L90 PolarHBondContact O-N 3.06Å; L90-T95 HydrophobicContact CD2-CG2 4.04Å
91T95.4Very high96.2Very high104 Ų10445.8 Ų45.864%0.63825%0.249SC*.  trans-105.1-23.9-177.949.30000112.4K89K89-T91 PolarHBondContact O-N 3.2Å
92G96.1Very high96Very high1 Ų146.9 Ų46.91%0.0126%0.262CS..SBendtrans-152.4165.5-177.200000112.1W77 T95W77-G92 VanDerWaalsContact CZ2-C 3.45Å; G92-T95 PolarHBondContact O-OG1 2.71Å
93V97.6Very high95.9Very high6 Ų649.6 Ų49.64%0.03628%0.275CS..SBendtrans-126.2139.1163.7-71.70000108.2F31 W42 C43 V71 W77F31-V93 HydrophobicContact CB-CG1 4.34Å; W42-V93 HydrophobicContact CH2-CG2 3.72Å; W42-V93 HydrophobicContact CZ2-CG2 4.37Å; W42-V93 HydrophobicContact CZ3-CG2 4.45Å; C43-V93 HydrophobicContact CB-CG2 4.45Å; C43-V93 PolarHBondContact SG-O 2.99Å; V71-V93 HydrophobicContact CG1-CG1 4.02Å; V71-V93 HydrophobicContact CG2-CG1 4.16Å; W77-V93 HydrophobicContact CD2-CG1 4.24Å; W77-V93 HydrophobicContact CD2-CG2 4.33Å; W77-V93 HydrophobicContact CE3-CG1 4.24Å; W77-V93 HydrophobicContact CH2-CG1 3.74Å; W77-V93 HydrophobicContact CZ2-CB 4.42Å; W77-V93 HydrophobicContact CZ2-CG1 3.76Å; W77-V93 HydrophobicContact CZ2-CG2 4.35Å; W77-V93 HydrophobicContact CZ3-CG1 3.99Å
94P98.3Very high95.8Very high0 Ų050.1 Ų50.10%027%0.273CS..SBendcis-72149.8330.8-35.5000112.8Y30 F31 D45 A49 E107 C110Y30-P94 HydrophobicContact CE2-CB 3.64Å; Y30-P94 WeakPolarHBondContact OH-CB 3.24Å; F31-P94 VanDerWaalsContact O-CA 3.29Å; F31-P94 WeakPolarHBondContact O-CA 3.22Å; D45-P94 HydrophobicContact CB-CG 4.37Å; A49-P94 HydrophobicContact CB-CB 4.17Å; A49-P94 HydrophobicContact CB-CG 3.63Å; P94-E107 PolarHBondContact O-N 3.44Å; P94-C110 HydrophobicContact CG-CB 4.09Å
95T98.6Very high95.9Very high1 Ų151 Ų511%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-132.3128.6167.3-69.90000109.1Y30 F31 L90 G92 L97 K104 L105 V106Y30-T95 WeakPolarHBondContact CA-O 3.43Å; F31-T95 PolarHBondContact N-O 2.85Å; F31-T95 PolarHBondContact O-N 3.44Å; F31-T95 VanDerWaalsContact O-N 3.14Å; L90-T95 HydrophobicContact CD2-CG2 4.04Å; G92-T95 PolarHBondContact O-OG1 2.71Å; T95-L97 HydrophobicContact CG2-CB 4.5Å; T95-K104 HydrophobicContact CG2-CB 4.35Å; T95-L105 CarbonylContact C-O 3.56Å; T95-L105 WeakPolarHBondContact CA-O 3.41Å; T95-V106 HydrophobicContact CG2-CG2 4.32Å
96L98.5Very high95.9Very high0 Ų049.8 Ų49.80%027%0.274CS..EExtended strand (participates in β ladder)trans-100.7122166.6-177.863.7000108.5A29 Y30 V53 F66 K104 L105 V116 M119 F120A29-L96 CarbonylContact O-C 3.53Å; A29-L96 WeakPolarHBondContact O-CA 3.35Å; Y30-L96 HydrophobicContact CD2-CB 4.4Å; Y30-L96 HydrophobicContact CD2-CD1 4.46Å; V53-L96 HydrophobicContact CG1-CD1 4.32Å; V53-L96 HydrophobicContact CG1-CD2 4.37Å; F66-L96 HydrophobicContact CE2-CD1 4.08Å; L96-K104 CarbonylContact O-C 3.48Å; L96-K104 WeakPolarHBondContact O-CA 3.29Å; L96-L105 HydrophobicContact CB-CB 4.32Å; L96-L105 HydrophobicContact CD2-CD1 4.25Å; L96-L105 PolarHBondContact N-O 2.82Å; L96-L105 PolarHBondContact O-N 3.24Å; L96-V116 HydrophobicContact CD2-CG1 4.13Å; L96-M119 HydrophobicContact CD2-CB 4.46Å; L96-M119 HydrophobicContact CD2-CG 3.91Å; L96-M119 HydrophobicContact CG-CE 4.18Å; L96-M119 HydrophobicContact CG-CG 4.28Å; L96-M119 WeakPolarHBondContact O-CE 3.39Å; L96-F120 HydrophobicContact CD1-CE1 4.12Å; L96-F120 HydrophobicContact CD1-CZ 4.43Å; L96-F120 HydrophobicContact CD2-CE1 3.75Å; L96-F120 HydrophobicContact CD2-CZ 3.93Å; L96-F120 HydrophobicContact CG-CE1 4.43Å
97L97.7Very high95.9Very high19 Ų1948.2 Ų48.210%0.09927%0.269CS..EExtended strand (participates in β ladder)trans-124133.3-176170.567.9000109.5F28 A29 F31 T95 Y99 Q103 K104F28-L97 CarbonylContact C-O 3.59Å; F28-L97 WeakPolarHBondContact CA-O 3.29Å; A29-L97 PolarHBondContact N-O 2.92Å; A29-L97 PolarHBondContact O-N 2.79Å; F31-L97 HydrophobicContact CE2-CB 4.06Å; F31-L97 HydrophobicContact CE2-CD2 4Å; T95-L97 HydrophobicContact CG2-CB 4.5Å; L97-Y99 HydrophobicContact CD2-CD2 4.49Å; L97-Q103 WeakPolarHBondContact CD1-O 3.32Å; L97-K104 HydrophobicContact CD1-CB 4.16Å
98R96.8Very high96Very high19 Ų1951.6 Ų51.67%0.07228%0.28CS..EExtended strand (participates in β ladder)trans-87.4109.3163.9-170.6175.3-175.9-158.5-1.6108.3D26 F28 G100 T101 Q103 M119 E122 D123D26-R98 IonicContact OD1-CZ 2.84Å; D26-R98 IonicContact OD1-NE 3.14Å; D26-R98 PolarHBondContact OD1-NE 2.93Å; D26-R98 VanDerWaalsContact OD1-NE 3.14Å; D26-R98 IonicContact OD1-NH2 3.03Å; D26-R98 IonicContact OD2-CZ 3.52Å; D26-R98 VanDerWaalsContact OD2-CZ 3.28Å; D26-R98 IonicContact OD2-NE 3.02Å; D26-R98 PolarHBondContact OD2-NE 3.01Å; D26-R98 IonicContact OD2-NH2 3.32Å; D26-R98 PolarHBondContact OD2-NH2 3.2Å; F28-R98 HydrophobicContact CD1-CB 4.17Å; F28-R98 HydrophobicContact CD1-CG 4.12Å; F28-R98 HydrophobicContact CE1-CB 4.04Å; F28-R98 HydrophobicContact CE1-CG 3.68Å; F28-R98 HydrophobicContact CZ-CG 4.11Å; R98-G100 PolarHBondContact O-N 3.18Å; R98-T101 HydrophobicContact CG-CG2 4.11Å; R98-T101 PolarHBondContact O-N 3.5Å; R98-T101 PolarHBondContact O-OG1 2.93Å; R98-Q103 HydrophobicContact CB-CB 4.41Å; R98-Q103 PolarHBondContact N-O 3.41Å; R98-M119 HydrophobicContact CB-CE 4.16Å; R98-M119 HydrophobicContact CB-SD 4.14Å; R98-E122 PolarHBondContact NH1-O 3.25Å; R98-D123 VanDerWaalsContact NH1-C 3.27Å; R98-D123 PolarHBondContact NH1-OXT 3.39Å; R98-D123 IonicContact NH2-OD1 2.89Å
99Y95.9Very high96.2Very high97 Ų9753.6 Ų53.638%0.3829%0.288SS..THydrogen-bonded Turntrans-67.7132.6-168.8-172.2-96.5000111.2F15 V19 I27 L88 L97F15-Y99 HydrophobicContact CE1-CD2 4.45Å; F15-Y99 HydrophobicContact CE1-CE2 4.1Å; F15-Y99 AromaticContact CZ-CD2 3.89Å; F15-Y99 HydrophobicContact CZ-CD2 3.89Å; F15-Y99 HydrophobicContact CZ-CE2 4Å; V19-Y99 HydrophobicContact CG1-CD1 3.85Å; V19-Y99 HydrophobicContact CG1-CE1 3.33Å; V19-Y99 HydrophobicContact CG1-CE2 4.36Å; V19-Y99 HydrophobicContact CG2-CE2 4.45Å; I27-Y99 WeakPolarHBondContact O-CB 3.03Å; I27-Y99 PolarHBondContact O-N 3.21Å; L88-Y99 HydrophobicContact CD2-CE2 4.27Å; L97-Y99 HydrophobicContact CD2-CD2 4.49Å
100G92.6Very high96.3Very high78 Ų7847 Ų4780%0.80426%0.259SS*.THydrogen-bonded Turntrans89.8-4.3-175.500000114.4R98R98-G100 PolarHBondContact O-N 3.18Å
101T93.2Very high96.4Very high44 Ų4448.3 Ų48.327%0.2727%0.265SS..SBendtrans-121165.4175.487.60000110.7R98 Q103R98-T101 HydrophobicContact CG-CG2 4.11Å; R98-T101 PolarHBondContact O-N 3.5Å; R98-T101 PolarHBondContact O-OG1 2.93Å; T101-Q103 PolarHBondContact O-N 3.33Å; T101-Q103 WeakPolarHBondContact OG1-CB 3.5Å; T101-Q103 PolarHBondContact OG1-N 2.79Å; T101-Q103 VanDerWaalsContact OG1-N 3.15Å
102P91.9Very high96.5Very high125 Ų12548.4 Ų48.481%0.81226%0.256SS*.SBendtrans-77.7-5.4172.531.9-35.3000113.5K104P102-K104 PolarHBondContact O-N 3.14Å
103Q94.9Very high96.5Very high62 Ų6251 Ų5129%0.2927%0.273SS..  trans-70.7124.8-174.9-58.3175.413.400110.1L97 R98 T101 M119L97-Q103 WeakPolarHBondContact CD1-O 3.32Å; R98-Q103 HydrophobicContact CB-CB 4.41Å; R98-Q103 PolarHBondContact N-O 3.41Å; T101-Q103 PolarHBondContact O-N 3.33Å; T101-Q103 WeakPolarHBondContact OG1-CB 3.5Å; T101-Q103 PolarHBondContact OG1-N 2.79Å; T101-Q103 VanDerWaalsContact OG1-N 3.15Å; Q103-M119 HydrophobicContact CB-CE 4.37Å; Q103-M119 HydrophobicContact CB-SD 3.93Å; Q103-M119 WeakPolarHBondContact O-CE 3.34Å
104K96.4Very high96.5Very high85 Ų8556.3 Ų56.337%0.3730%0.301SS..EExtended strand (participates in β ladder)trans-152.3147.6174.960.9-178.2174.7179.50110.8T95 L96 L97 P102 V106T95-K104 HydrophobicContact CG2-CB 4.35Å; L96-K104 CarbonylContact O-C 3.48Å; L96-K104 WeakPolarHBondContact O-CA 3.29Å; L97-K104 HydrophobicContact CD1-CB 4.16Å; P102-K104 PolarHBondContact O-N 3.14Å; K104-V106 HydrophobicContact CD-CG2 4.07Å; K104-V106 HydrophobicContact CG-CG2 4.18Å
105L97.9Very high96.5Very high18 Ų1858.8 Ų58.89%0.09431%0.314CS..EExtended strand (participates in β ladder)trans-110.5128.4166.8-54.4-179.3000107.8T95 L96 E109 C110 L115 V116 M119T95-L105 CarbonylContact C-O 3.56Å; T95-L105 WeakPolarHBondContact CA-O 3.41Å; L96-L105 HydrophobicContact CB-CB 4.32Å; L96-L105 HydrophobicContact CD2-CD1 4.25Å; L96-L105 PolarHBondContact N-O 2.82Å; L96-L105 PolarHBondContact O-N 3.24Å; L105-E109 WeakPolarHBondContact CA-OE2 3.33Å; L105-E109 HydrophobicContact CB-CB 3.75Å; L105-E109 HydrophobicContact CD2-CB 4.13Å; L105-E109 HydrophobicContact CG-CB 4.45Å; L105-C110 PolarHBondContact O-SG 3.45Å; L105-C110 VanDerWaalsContact O-SG 3.35Å; L105-L115 HydrophobicContact CD1-CB 3.92Å; L105-L115 HydrophobicContact CD2-CB 4.12Å; L105-L115 HydrophobicContact CD2-CD1 4.41Å; L105-V116 HydrophobicContact CD1-CB 4.48Å; L105-V116 HydrophobicContact CD1-CG2 4Å; L105-M119 HydrophobicContact CD1-CB 4.11Å
106V97.6Very high96.4Very high22 Ų2258.7 Ų58.713%0.13331%0.314CS..EExtended strand (participates in β ladder)trans-118.1133.9-176.3-175.10000109.7T95 K104 E108 E109T95-V106 HydrophobicContact CG2-CG2 4.32Å; K104-V106 HydrophobicContact CD-CG2 4.07Å; K104-V106 HydrophobicContact CG-CG2 4.18Å; V106-E108 PolarHBondContact O-N 3.19Å; V106-E109 PolarHBondContact N-OE2 3.25Å; V106-E109 WeakPolarHBondContact O-CB 3.46Å; V106-E109 PolarHBondContact O-N 3.49Å
107E96.6Very high96.4Very high84 Ų8462.7 Ų62.739%0.39333%0.331SS..G310 helixtrans50.9-106.2171.3-65.4170142.200112.8P94 E109 C110P94-E107 PolarHBondContact O-N 3.44Å; E107-E109 PolarHBondContact O-N 3.06Å; E107-C110 WeakPolarHBondContact O-CB 3.48Å; E107-C110 PolarHBondContact O-N 3.38Å
108E96.5Very high96.3Very high140 Ų14066.2 Ų66.265%0.65435%0.348SS*.G310 helixtrans-62.4-26.4-177.1-62.3-167.9157.600114V106 C110 F111V106-E108 PolarHBondContact O-N 3.19Å; E108-C110 PolarHBondContact O-N 3.31Å; E108-F111 HydrophobicContact CB-CD2 4.14Å; E108-F111 HydrophobicContact CB-CE2 4.25Å; E108-F111 HydrophobicContact CG-CD2 4.32Å; E108-F111 HydrophobicContact CG-CE2 4.01Å; E108-F111 WeakPolarHBondContact O-CB 3.17Å; E108-F111 PolarHBondContact O-N 3.45Å
109E97.3Very high96.3Very high76 Ų7665.7 Ų65.736%0.35535%0.347SS..G310 helixtrans-66.4-30.4176.6-60.4177.9124.500111.3L105 V106 E107 F111 K112 L115L105-E109 WeakPolarHBondContact CA-OE2 3.33Å; L105-E109 HydrophobicContact CB-CB 3.75Å; L105-E109 HydrophobicContact CD2-CB 4.13Å; L105-E109 HydrophobicContact CG-CB 4.45Å; V106-E109 PolarHBondContact N-OE2 3.25Å; V106-E109 WeakPolarHBondContact O-CB 3.46Å; V106-E109 PolarHBondContact O-N 3.49Å; E107-E109 PolarHBondContact O-N 3.06Å; E109-F111 PolarHBondContact O-N 3.16Å; E109-K112 PolarHBondContact O-N 2.84Å; E109-L115 HydrophobicContact CB-CD1 4.15Å; E109-L115 HydrophobicContact CG-CD1 4.41Å
110C97.3Very high96.2Very high0 Ų061.1 Ų61.10%033%0.329CS..G310 helixtrans-71.1-9.2174.1-64.10000112.9A49 V53 P94 L105 E107 E108 K112A49-C110 HydrophobicContact CB-CB 3.74Å; V53-C110 HydrophobicContact CG2-CB 4.36Å; P94-C110 HydrophobicContact CG-CB 4.09Å; L105-C110 PolarHBondContact O-SG 3.45Å; L105-C110 VanDerWaalsContact O-SG 3.35Å; E107-C110 WeakPolarHBondContact O-CB 3.48Å; E107-C110 PolarHBondContact O-N 3.38Å; E108-C110 PolarHBondContact O-N 3.31Å; C110-K112 VanDerWaalsContact C-N 3.34Å
111F96.6Very high96.2Very high33 Ų3361.1 Ų61.115%0.14531%0.313CS..G310 helixtrans-89-2.4175.5-50.2-25.4000113.1D45 K48 A49 I52 E108 E109 P113D45-F111 HydrophobicContact CB-CE1 4.09Å; D45-F111 HydrophobicContact CB-CZ 3.66Å; D45-F111 WeakPolarHBondContact O-CE1 3.14Å; K48-F111 HydrophobicContact CB-CE1 4.17Å; K48-F111 HydrophobicContact CD-CD1 4.23Å; K48-F111 HydrophobicContact CD-CD2 4.23Å; K48-F111 HydrophobicContact CD-CE1 4.16Å; K48-F111 HydrophobicContact CD-CE2 4.15Å; K48-F111 HydrophobicContact CD-CG 4.29Å; K48-F111 HydrophobicContact CD-CZ 4.12Å; K48-F111 HydrophobicContact CG-CD1 4.25Å; K48-F111 HydrophobicContact CG-CE1 4.3Å; A49-F111 HydrophobicContact CB-CD1 3.78Å; A49-F111 HydrophobicContact CB-CE1 3.78Å; I52-F111 HydrophobicContact CD1-CB 4.32Å; E108-F111 HydrophobicContact CB-CD2 4.14Å; E108-F111 HydrophobicContact CB-CE2 4.25Å; E108-F111 HydrophobicContact CG-CD2 4.32Å; E108-F111 HydrophobicContact CG-CE2 4.01Å; E108-F111 WeakPolarHBondContact O-CB 3.17Å; E108-F111 PolarHBondContact O-N 3.45Å; E109-F111 PolarHBondContact O-N 3.16Å; F111-P113 WeakPolarHBondContact O-CD 3.44Å
112K97.8Very high95.7Very high106 Ų10664.5 Ų64.546%0.46133%0.326SS..  trans-106.3102.3-174.7-65173.6-177171.50108.7E109 C110 D114 L115 V116E109-K112 PolarHBondContact O-N 2.84Å; C110-K112 VanDerWaalsContact C-N 3.34Å; K112-D114 PolarHBondContact O-N 3.06Å; K112-L115 HydrophobicContact CB-CB 4.07Å; K112-L115 HydrophobicContact CB-CD1 4.04Å; K112-L115 HydrophobicContact CB-CG 3.87Å; K112-L115 HydrophobicContact CD-CD1 3.53Å; K112-L115 HydrophobicContact CD-CG 4.08Å; K112-L115 HydrophobicContact CG-CD1 4.4Å; K112-L115 PolarHBondContact O-N 3.24Å; K112-V116 PolarHBondContact O-N 3.03Å; K112-V116 VanDerWaalsContact O-N 3.08Å
113P97.2Very high94.2Very high56 Ų5667.2 Ų67.236%0.36433%0.334SS..Hα-helixtrans-53.7-39-178.7-22.430.1000112.5I52 E56 F111 L115 V116 K117I52-P113 HydrophobicContact CG2-CB 4.23Å; I52-P113 HydrophobicContact CG2-CG 3.84Å; E56-P113 HydrophobicContact CG-CB 4.47Å; F111-P113 WeakPolarHBondContact O-CD 3.44Å; P113-L115 PolarHBondContact O-N 2.84Å; P113-V116 PolarHBondContact O-N 3.21Å; P113-K117 VanDerWaalsContact O-CB 3.29Å; P113-K117 WeakPolarHBondContact O-CB 3.05Å; P113-K117 PolarHBondContact O-N 3.3Å
114D97.4Very high94.2Very high117 Ų11767.5 Ų67.563%0.62634%0.336SS*.Hα-helixtrans-62.1-40.7178.6-60.8-47.1000112.7K112 K117 M118K112-D114 PolarHBondContact O-N 3.06Å; D114-K117 PolarHBondContact O-N 3.14Å; D114-M118 WeakPolarHBondContact O-CB 3.47Å; D114-M118 WeakPolarHBondContact O-CG 3.3Å; D114-M118 PolarHBondContact O-N 3.25Å
115L97.6Very high94.1Very high52 Ų5266.6 Ų66.627%0.27233%0.334SS..Hα-helixtrans-70-41.1176.7-65.4-171.8000111.5L105 E109 K112 P113 K117 M118 M119L105-L115 HydrophobicContact CD1-CB 3.92Å; L105-L115 HydrophobicContact CD2-CB 4.12Å; L105-L115 HydrophobicContact CD2-CD1 4.41Å; E109-L115 HydrophobicContact CB-CD1 4.15Å; E109-L115 HydrophobicContact CG-CD1 4.41Å; K112-L115 HydrophobicContact CB-CB 4.07Å; K112-L115 HydrophobicContact CB-CD1 4.04Å; K112-L115 HydrophobicContact CB-CG 3.87Å; K112-L115 HydrophobicContact CD-CD1 3.53Å; K112-L115 HydrophobicContact CD-CG 4.08Å; K112-L115 HydrophobicContact CG-CD1 4.4Å; K112-L115 PolarHBondContact O-N 3.24Å; P113-L115 PolarHBondContact O-N 2.84Å; L115-K117 VanDerWaalsContact C-N 3.28Å; L115-K117 PolarHBondContact O-N 3.02Å; L115-M118 HydrophobicContact CD2-SD 4.24Å; L115-M118 PolarHBondContact O-N 3.4Å; L115-M119 WeakPolarHBondContact O-CB 3.38Å; L115-M119 PolarHBondContact O-N 2.66Å
116V97.8Very high93.8Very high0 Ų069.3 Ų69.30%035%0.348CS..Hα-helixtrans-61.1-42.9175.9174.90000110.2I52 V53 E56 L96 L105 K112 P113 M119 F120I52-V116 HydrophobicContact CG2-CG2 4.49Å; V53-V116 HydrophobicContact CG1-CG1 4.49Å; V53-V116 HydrophobicContact CG2-CG1 4.42Å; V53-V116 HydrophobicContact CG2-CG2 4.09Å; E56-V116 HydrophobicContact CB-CB 4.39Å; E56-V116 HydrophobicContact CB-CG1 3.59Å; E56-V116 HydrophobicContact CG-CB 4.12Å; E56-V116 HydrophobicContact CG-CG1 3.82Å; L96-V116 HydrophobicContact CD2-CG1 4.13Å; L105-V116 HydrophobicContact CD1-CB 4.48Å; L105-V116 HydrophobicContact CD1-CG2 4Å; K112-V116 PolarHBondContact O-N 3.03Å; K112-V116 VanDerWaalsContact O-N 3.08Å; P113-V116 PolarHBondContact O-N 3.21Å; V116-M119 WeakPolarHBondContact O-CB 3.31Å; V116-M119 PolarHBondContact O-N 3.03Å; V116-F120 HydrophobicContact CG1-CD2 4.11Å; V116-F120 HydrophobicContact CG1-CE2 3.52Å; V116-F120 HydrophobicContact CG1-CZ 3.86Å; V116-F120 WeakPolarHBondContact O-CD2 3.35Å; V116-F120 WeakPolarHBondContact O-CG 3.4Å; V116-F120 PolarHBondContact O-N 3Å; V116-F120 VanDerWaalsContact O-N 3.17Å
117K96.8Very high93.6Very high84 Ų8472.1 Ų72.137%0.36536%0.36SS..Hα-helixtrans-63.4-48.6175.9-179.5174.3177.6167.50111.5H59 P113 D114 L115 M119 F120 T121H59-K117 HydrophobicContact CB-CG 4.42Å; H59-K117 WeakPolarHBondContact NE2-CE 3.45Å; H59-K117 PolarHBondContact NE2-NZ 3.2Å; P113-K117 VanDerWaalsContact O-CB 3.29Å; P113-K117 WeakPolarHBondContact O-CB 3.05Å; P113-K117 PolarHBondContact O-N 3.3Å; D114-K117 PolarHBondContact O-N 3.14Å; L115-K117 VanDerWaalsContact C-N 3.28Å; L115-K117 PolarHBondContact O-N 3.02Å; K117-M119 VanDerWaalsContact C-N 3.29Å; K117-M119 PolarHBondContact O-N 3.18Å; K117-F120 PolarHBondContact O-N 3.49Å; K117-T121 HydrophobicContact CG-CG2 4.39Å; K117-T121 WeakPolarHBondContact O-CG2 3.42Å; K117-T121 PolarHBondContact O-N 3.46Å; K117-T121 PolarHBondContact O-OG1 3.42Å; K117-T121 VanDerWaalsContact O-OG1 3.05Å
118M96.3Very high93.4Very high92 Ų9271.3 Ų71.345%0.45336%0.358SS..Hα-helixtrans-54.2-47.4175.7-77.1171.1-177.700111.1D114 L115 F120 T121 E122D114-M118 WeakPolarHBondContact O-CB 3.47Å; D114-M118 WeakPolarHBondContact O-CG 3.3Å; D114-M118 PolarHBondContact O-N 3.25Å; L115-M118 HydrophobicContact CD2-SD 4.24Å; L115-M118 PolarHBondContact O-N 3.4Å; M118-F120 PolarHBondContact O-N 2.8Å; M118-T121 PolarHBondContact O-N 2.81Å; M118-T121 PolarHBondContact O-OG1 3.34Å; M118-E122 WeakPolarHBondContact O-CB 3.36Å; M118-E122 WeakPolarHBondContact O-CG 3.47Å; M118-E122 PolarHBondContact O-N 3.26Å
119M96.1Very high93.2Very high9 Ų966.7 Ų66.74%0.04434%0.339CS..Hα-helixtrans-54.6-36.7175.2177.869.313700113.1F28 L96 R98 Q103 L105 L115 V116 K117F28-M119 HydrophobicContact CD1-CG 4.47Å; F28-M119 WeakPolarHBondContact CE1-O 3.4Å; L96-M119 HydrophobicContact CD2-CB 4.46Å; L96-M119 HydrophobicContact CD2-CG 3.91Å; L96-M119 HydrophobicContact CG-CE 4.18Å; L96-M119 HydrophobicContact CG-CG 4.28Å; L96-M119 WeakPolarHBondContact O-CE 3.39Å; R98-M119 HydrophobicContact CB-CE 4.16Å; R98-M119 HydrophobicContact CB-SD 4.14Å; Q103-M119 HydrophobicContact CB-CE 4.37Å; Q103-M119 HydrophobicContact CB-SD 3.93Å; Q103-M119 WeakPolarHBondContact O-CE 3.34Å; L105-M119 HydrophobicContact CD1-CB 4.11Å; L115-M119 WeakPolarHBondContact O-CB 3.38Å; L115-M119 PolarHBondContact O-N 2.66Å; V116-M119 WeakPolarHBondContact O-CB 3.31Å; V116-M119 PolarHBondContact O-N 3.03Å; K117-M119 VanDerWaalsContact C-N 3.29Å; K117-M119 PolarHBondContact O-N 3.18Å
120F95.4Very high92.9Very high1 Ų166.1 Ų66.10%0.00434%0.337CS..Hα-helixtrans-82.2-21.9179-64.7-25.2000114.2F28 V53 E56 L57 H59 L60 P61 F66 L96 V116 K117 M118F28-F120 HydrophobicContact CB-CE1 4.16Å; F28-F120 AromaticContact CD1-CD1 3.69Å; F28-F120 HydrophobicContact CD1-CD1 3.69Å; F28-F120 AromaticContact CD1-CE1 3.95Å; F28-F120 HydrophobicContact CD1-CE1 3.95Å; F28-F120 AromaticContact CE1-CD1 3.98Å; F28-F120 HydrophobicContact CE1-CD1 3.98Å; F28-F120 HydrophobicContact CG-CD1 4.08Å; F28-F120 HydrophobicContact CG-CE1 4.13Å; V53-F120 HydrophobicContact CG1-CZ 4.21Å; E56-F120 HydrophobicContact CB-CD2 3.92Å; E56-F120 HydrophobicContact CB-CE2 3.76Å; E56-F120 VanDerWaalsContact O-CD2 3.3Å; E56-F120 WeakPolarHBondContact O-CD2 3.09Å; L57-F120 HydrophobicContact CD2-CE2 4.15Å; L57-F120 HydrophobicContact CD2-CZ 3.98Å; H59-F120 HydrophobicContact CB-CB 4.34Å; L60-F120 HydrophobicContact CD2-CB 4.2Å; L60-F120 HydrophobicContact CD2-CD1 3.43Å; L60-F120 VanDerWaalsContact CD2-CD1 3.43Å; L60-F120 HydrophobicContact CD2-CD2 4.39Å; L60-F120 HydrophobicContact CD2-CE1 3.78Å; L60-F120 HydrophobicContact CD2-CG 3.77Å; L60-F120 HydrophobicContact CD2-CZ 4.4Å; L60-F120 HydrophobicContact CG-CD1 4.17Å; L60-F120 HydrophobicContact CG-CD2 4.26Å; L60-F120 HydrophobicContact CG-CE1 4.41Å; L60-F120 HydrophobicContact CG-CE2 4.49Å; L60-F120 HydrophobicContact CG-CG 4.09Å; P61-F120 VanDerWaalsContact CD-O 3.24Å; P61-F120 WeakPolarHBondContact CD-O 3.43Å; P61-F120 WeakPolarHBondContact CG-O 3.46Å; F66-F120 HydrophobicContact CE2-CZ 4.47Å; L96-F120 HydrophobicContact CD1-CE1 4.12Å; L96-F120 HydrophobicContact CD1-CZ 4.43Å; L96-F120 HydrophobicContact CD2-CE1 3.75Å; L96-F120 HydrophobicContact CD2-CZ 3.93Å; L96-F120 HydrophobicContact CG-CE1 4.43Å; V116-F120 HydrophobicContact CG1-CD2 4.11Å; V116-F120 HydrophobicContact CG1-CE2 3.52Å; V116-F120 HydrophobicContact CG1-CZ 3.86Å; V116-F120 WeakPolarHBondContact O-CD2 3.35Å; V116-F120 WeakPolarHBondContact O-CG 3.4Å; V116-F120 PolarHBondContact O-N 3Å; V116-F120 VanDerWaalsContact O-N 3.17Å; K117-F120 PolarHBondContact O-N 3.49Å; M118-F120 PolarHBondContact O-N 2.8Å
121T92.1Very high92.6Very high77 Ų7771.2 Ų71.247%0.47236%0.363SS..Hα-helixtrans-107.8-18.7-172.657.20000114.6H59 K117 M118H59-T121 HydrophobicContact CB-CG2 4.02Å; K117-T121 HydrophobicContact CG-CG2 4.39Å; K117-T121 WeakPolarHBondContact O-CG2 3.42Å; K117-T121 PolarHBondContact O-N 3.46Å; K117-T121 PolarHBondContact O-OG1 3.42Å; K117-T121 VanDerWaalsContact O-OG1 3.05Å; M118-T121 PolarHBondContact O-N 2.81Å; M118-T121 PolarHBondContact O-OG1 3.34Å
122E82.9Confident92.3Very high115 Ų11574.3 Ų74.354%0.53738%0.381SS..  trans-93.4134.2-177.5-65.8-172.5121.300112R98 M118R98-E122 PolarHBondContact NH1-O 3.25Å; M118-E122 WeakPolarHBondContact O-CB 3.36Å; M118-E122 WeakPolarHBondContact O-CG 3.47Å; M118-E122 PolarHBondContact O-N 3.26Å
123D60Low91.8Very high183 Ų18371.5 Ų71.598%0.97937%0.374SS*.  trans-780178.5-75.9-45.8000113.8R98R98-D123 VanDerWaalsContact NH1-C 3.27Å; R98-D123 PolarHBondContact NH1-OXT 3.39Å; R98-D123 IonicContact NH2-OD1 2.89Å

Retrieved 123 of 123 residues in 123.6 ms (Link to these results)

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