A0A087XRS7_POEFO Loading...

ADP-ribosylation factor-like protein 6

AlphaFold DB , UniProt , Accession A0A087XRS7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 192 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
1M62.4Low66.2Low171 Ų171110.8 Ų110.884%0.84257%0.573SS**  0104.80-86.4179.1166.300109.9K6M1-K6 HydrophobicContact SD-CD 4.4Å; M1-K6 WeakPolarHBondContact SD-CE 3.35Å; M1-K6 HydrophobicContact SD-CG 4.47Å
2G63.3Low66.2Low40 Ų40106.7 Ų106.741%0.41258%0.577SS.*  trans-64.2143.7168.200000109.9F4 D5G2-F4 PolarHBondContact O-N 3.32Å; G2-F4 VanDerWaalsContact O-N 3.08Å; G2-D5 PolarHBondContact O-N 2.91Å
3L71.6Confident66.8Low141 Ų141106.7 Ų106.774%0.73858%0.576SS**Hα-helixtrans-55.3-27.5176.6-139.976.8000111.8L7L3-L7 WeakPolarHBondContact O-CD1 3.43Å; L3-L7 WeakPolarHBondContact O-CG 3.12Å; L3-L7 PolarHBondContact O-N 3.43Å; L3-L7 VanDerWaalsContact O-N 3.13Å
4F70.2Confident67.8Low164 Ų164105 Ų10572%0.71956%0.561SS**Hα-helixtrans-68.3-44.6180-104.7-91.1000114.4G2 K6 L7 V8G2-F4 PolarHBondContact O-N 3.32Å; G2-F4 VanDerWaalsContact O-N 3.08Å; F4-K6 VanDerWaalsContact C-N 3.29Å; F4-K6 PolarHBondContact O-N 3.23Å; F4-L7 WeakPolarHBondContact O-CB 3.32Å; F4-L7 PolarHBondContact O-N 3.41Å; F4-L7 VanDerWaalsContact O-N 3.15Å; F4-V8 WeakPolarHBondContact O-CB 3.24Å; F4-V8 VanDerWaalsContact O-CG2 3.32Å; F4-V8 WeakPolarHBondContact O-CG2 3.44Å; F4-V8 PolarHBondContact O-N 3.46Å
5D62.1Low69.1Low88 Ų88103.5 Ų103.547%0.47155%0.547SS..Hα-helixtrans-67-34.3-179.6-64.4-50.4000111.6G2 V8 G9G2-D5 PolarHBondContact O-N 2.91Å; D5-V8 PolarHBondContact O-N 3.36Å; D5-G9 PolarHBondContact O-N 3.13Å
6K62.7Low70.6Confident128 Ų128104 Ų10456%0.55755%0.546SS*.Hα-helixtrans-66.3-40.2172.2-71.1-173.2177.1-1790112M1 F4 W10M1-K6 HydrophobicContact SD-CD 4.4Å; M1-K6 WeakPolarHBondContact SD-CE 3.35Å; M1-K6 HydrophobicContact SD-CG 4.47Å; F4-K6 VanDerWaalsContact C-N 3.29Å; F4-K6 PolarHBondContact O-N 3.23Å; K6-W10 WeakPolarHBondContact O-CB 3.5Å; K6-W10 PolarHBondContact O-N 3.35Å
7L66.4Low72.1Confident74 Ų7497.9 Ų97.939%0.38751%0.514SS..Hα-helixtrans-66.1-43175.3-87.1160.5000111.8L3 F4 W10 L11L3-L7 WeakPolarHBondContact O-CD1 3.43Å; L3-L7 WeakPolarHBondContact O-CG 3.12Å; L3-L7 PolarHBondContact O-N 3.43Å; L3-L7 VanDerWaalsContact O-N 3.13Å; F4-L7 WeakPolarHBondContact O-CB 3.32Å; F4-L7 PolarHBondContact O-N 3.41Å; F4-L7 VanDerWaalsContact O-N 3.15Å; L7-W10 HydrophobicContact CD2-CE3 4.13Å; L7-W10 PolarHBondContact O-N 3.35Å; L7-L11 WeakPolarHBondContact O-CB 3.32Å; L7-L11 VanDerWaalsContact O-CG 3.23Å; L7-L11 WeakPolarHBondContact O-CG 3.32Å; L7-L11 PolarHBondContact O-N 3.49Å
8V68.6Low73.6Confident46 Ų4695.1 Ų95.128%0.27950%0.499SS..Hα-helixtrans-61.1-45175.6166.40000110.8F4 D5 L11 G12 L13F4-V8 WeakPolarHBondContact O-CB 3.24Å; F4-V8 VanDerWaalsContact O-CG2 3.32Å; F4-V8 WeakPolarHBondContact O-CG2 3.44Å; F4-V8 PolarHBondContact O-N 3.46Å; D5-V8 PolarHBondContact O-N 3.36Å; V8-L11 PolarHBondContact O-N 2.96Å; V8-G12 PolarHBondContact O-N 3.46Å; V8-L13 HydrophobicContact CG1-CB 3.81Å; V8-L13 WeakPolarHBondContact CG1-O 3.5Å; V8-L13 PolarHBondContact O-N 3.08Å
9G61.6Low74.9Confident54 Ų5490.1 Ų90.156%0.55747%0.473SS*.Hα-helixtrans-62.6-41.3173.600000113.4D5 G12D5-G9 PolarHBondContact O-N 3.13Å; G9-G12 PolarHBondContact O-N 3.11Å
10W66.8Low76.1Confident208 Ų20885.7 Ų85.779%0.78845%0.45SS*.Hα-helixtrans-67.3-35176.8179.166.2000113.1K6 L7 G12K6-W10 WeakPolarHBondContact O-CB 3.5Å; K6-W10 PolarHBondContact O-N 3.35Å; L7-W10 HydrophobicContact CD2-CE3 4.13Å; L7-W10 PolarHBondContact O-N 3.35Å; W10-G12 PolarHBondContact O-N 3.11Å
11L73Confident77.1Confident105 Ų10581.6 Ų81.655%0.5543%0.428SS..THydrogen-bonded Turntrans-78.3-1.9175.3-68.7170.7000113.3L7 V8 L13L7-L11 WeakPolarHBondContact O-CB 3.32Å; L7-L11 VanDerWaalsContact O-CG 3.23Å; L7-L11 WeakPolarHBondContact O-CG 3.32Å; L7-L11 PolarHBondContact O-N 3.49Å; V8-L11 PolarHBondContact O-N 2.96Å; L11-L13 HydrophobicContact CB-CD1 4.09Å; L11-L13 HydrophobicContact CB-CG 4.24Å; L11-L13 HydrophobicContact CD1-CD1 4.26Å; L11-L13 PolarHBondContact O-N 3.31Å
12G65.4Low78.9Confident61 Ų6173.4 Ų73.463%0.62939%0.388SS*.THydrogen-bonded Turntrans68.317.2-178.300000114.1V8 G9 W10V8-G12 PolarHBondContact O-N 3.46Å; G9-G12 PolarHBondContact O-N 3.11Å; W10-G12 PolarHBondContact O-N 3.11Å
13L74.9Confident80.6Confident107 Ų10771.5 Ų71.556%0.5637%0.368SS*.PPolyproline II helixtrans-79.2120.1177.9-73.7166.8000109.1V8 L11V8-L13 HydrophobicContact CG1-CB 3.81Å; V8-L13 WeakPolarHBondContact CG1-O 3.5Å; V8-L13 PolarHBondContact O-N 3.08Å; L11-L13 HydrophobicContact CB-CD1 4.09Å; L11-L13 HydrophobicContact CB-CG 4.24Å; L11-L13 HydrophobicContact CD1-CD1 4.26Å; L11-L13 PolarHBondContact O-N 3.31Å
14K80.3Confident81.9Confident83 Ų8365.3 Ų65.336%0.36134%0.336SS..PPolyproline II helixtrans-76138.7176.6-60.5-171-168.8-161.20110E16 T59 S60K14-E16 PolarHBondContact O-N 3.37Å; K14-T59 PolarHBondContact NZ-O 2.99Å; K14-S60 WeakPolarHBondContact CE-O 3.42Å; K14-S60 PolarHBondContact NZ-O 3.31Å
15K87.6Confident83.2Confident82 Ų8259.8 Ų59.836%0.35731%0.314SS..EExtended strand (participates in β ladder)trans-59.7128174.7-175.4170.6-176.5174.50110L62 S63 N184K15-L62 HydrophobicContact CB-CD2 3.98Å; K15-S63 PolarHBondContact O-N 3.32Å; K15-N184 PolarHBondContact NZ-ND2 3.07Å; K15-N184 PolarHBondContact NZ-OD1 3.09Å
16E92.9Very high84.9Confident112 Ų11261 Ų6152%0.52332%0.321SS..EExtended strand (participates in β ladder)trans-80.8138.3174.2-65.1-160.7145.200110.3K14 K56 S63K14-E16 PolarHBondContact O-N 3.37Å; E16-K56 IonicContact OE1-NZ 3.16Å; E16-K56 PolarHBondContact OE1-NZ 3.37Å; E16-K56 VanDerWaalsContact OE1-NZ 3.16Å; E16-S63 CarbonylContact C-O 3.59Å; E16-S63 VanDerWaalsContact CA-O 3.29Å; E16-S63 WeakPolarHBondContact CA-O 3.28Å
17V96.2Very high86.6Confident0 Ų055 Ų550%030%0.295CS..EExtended strand (participates in β ladder)trans-132.2128.7178.1-175.40000110.1V19 L62 S63 T65 Q87 I180V17-V19 HydrophobicContact CG1-CG2 4.19Å; V17-L62 HydrophobicContact CG2-CD1 4.07Å; V17-L62 HydrophobicContact CG2-CD2 4.11Å; V17-L62 HydrophobicContact CG2-CG 4.5Å; V17-S63 PolarHBondContact N-O 2.94Å; V17-T65 PolarHBondContact O-N 3.23Å; V17-Q87 HydrophobicContact CG1-CB 3.87Å; V17-I180 HydrophobicContact CG1-CD1 3.95Å; V17-I180 HydrophobicContact CG1-CG2 4.25Å; V17-I180 HydrophobicContact CG2-CG2 3.99Å
18N98Very high88.2Confident48 Ų4852.1 Ų52.126%0.25728%0.283SS..EExtended strand (participates in β ladder)trans-85.6125.4176.1-70.1-18.1000110.5T65 F67 E85 Q87N18-T65 CarbonylContact C-O 3.59Å; N18-T65 WeakPolarHBondContact CA-O 3.46Å; N18-T65 WeakPolarHBondContact OD1-CB 3.44Å; N18-F67 HydrophobicContact CB-CE2 3.98Å; N18-E85 VanDerWaalsContact CB-O 3.23Å; N18-E85 WeakPolarHBondContact CB-O 3.02Å; N18-Q87 WeakPolarHBondContact O-CB 3.49Å; N18-Q87 PolarHBondContact O-N 3.3Å
19V98.5Very high89.6Confident0 Ų050.5 Ų50.50%027%0.272CS..EExtended strand (participates in β ladder)trans-127.4134.7-179.2178.90000110.1V17 F64 T65 V66 F67 A88 I90V17-V19 HydrophobicContact CG1-CG2 4.19Å; V19-F64 HydrophobicContact CG2-CD1 3.59Å; V19-F64 HydrophobicContact CG2-CE1 4.02Å; V19-T65 PolarHBondContact N-O 3.41Å; V19-V66 CarbonylContact O-C 3.52Å; V19-V66 VanDerWaalsContact O-CA 3.31Å; V19-V66 WeakPolarHBondContact O-CA 3.49Å; V19-F67 PolarHBondContact O-N 2.83Å; V19-A88 WeakPolarHBondContact CA-O 3.34Å; V19-A88 HydrophobicContact CG2-CB 4.07Å; V19-I90 HydrophobicContact CG1-CB 4.43Å; V19-I90 HydrophobicContact CG1-CD1 3.92Å; V19-I90 HydrophobicContact CG1-CG1 3.79Å
20L98.8Very high91.4Very high1 Ų149.6 Ų49.61%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-92.1124.4173-51.7-178.7000108.9L22 F67 Y82 Y83 A88 I89 I90L20-L22 HydrophobicContact CB-CD1 4.28Å; L20-L22 HydrophobicContact CB-CD2 4.24Å; L20-L22 HydrophobicContact CB-CG 4.03Å; L20-F67 HydrophobicContact CD2-CB 3.79Å; L20-F67 HydrophobicContact CD2-CD2 3.95Å; L20-F67 HydrophobicContact CD2-CG 3.98Å; L20-Y82 WeakPolarHBondContact CD1-O 3.48Å; L20-Y82 WeakPolarHBondContact CD2-O 3.5Å; L20-Y83 HydrophobicContact CD1-CD1 3.76Å; L20-Y83 HydrophobicContact CD1-CE1 4.48Å; L20-A88 PolarHBondContact N-O 3.39Å; L20-I89 WeakPolarHBondContact O-CA 3.33Å; L20-I90 PolarHBondContact O-N 3.31Å
21C98.8Very high92.9Very high0 Ų041.6 Ų41.60%023%0.23CC..EExtended strand (participates in β ladder)trans-99.4109.1170.2-1690000109I33 V66 F67 M69 I90C21-I33 HydrophobicContact CB-CD1 3.77Å; C21-V66 HydrophobicContact CB-CG1 3.61Å; C21-F67 PolarHBondContact N-O 2.55Å; C21-M69 PolarHBondContact O-N 3.19Å; C21-I90 CarbonylContact C-O 3.52Å; C21-I90 WeakPolarHBondContact CA-O 3.32Å
22L98.9Very high94.1Very high0 Ų036.7 Ų36.70%020%0.204CC..EExtended strand (participates in β ladder)trans-122165.9-171.8-55.1-178.5000111L20 K29 M69 W79 Y83 I89 I90 F91 V92 L111L20-L22 HydrophobicContact CB-CD1 4.28Å; L20-L22 HydrophobicContact CB-CD2 4.24Å; L20-L22 HydrophobicContact CB-CG 4.03Å; L22-K29 VanDerWaalsContact C-CD 3.42Å; L22-K29 WeakPolarHBondContact O-CD 3.23Å; L22-M69 HydrophobicContact CD2-CB 3.72Å; L22-M69 HydrophobicContact CD2-CG 3.41Å; L22-M69 VanDerWaalsContact CD2-CG 3.41Å; L22-W79 HydrophobicContact CD1-CE3 4.42Å; L22-W79 HydrophobicContact CD2-CB 4.21Å; L22-W79 HydrophobicContact CD2-CD2 3.85Å; L22-W79 HydrophobicContact CD2-CE3 4.37Å; L22-W79 HydrophobicContact CD2-CG 3.78Å; L22-Y83 HydrophobicContact CD1-CE1 4.02Å; L22-I89 HydrophobicContact CD1-CG2 4.25Å; L22-I90 PolarHBondContact N-O 3.01Å; L22-F91 HydrophobicContact CB-CD2 4.07Å; L22-F91 HydrophobicContact CB-CE2 4.42Å; L22-F91 CarbonylContact O-C 3.52Å; L22-F91 WeakPolarHBondContact O-CA 3.43Å; L22-V92 PolarHBondContact O-N 2.93Å; L22-L111 HydrophobicContact CD1-CD1 3.73Å; L22-L111 HydrophobicContact CD1-CD2 3.74Å; L22-L111 HydrophobicContact CD1-CG 4.39Å
23G98.8Very high95.7Very high0 Ų034 Ų340%018%0.175CC..  trans132.7166.5-177.300000112K29 G71 W79G23-K29 PolarHBondContact O-NZ 3.28Å; G23-G71 VanDerWaalsContact O-CA 3.29Å; G23-G71 WeakPolarHBondContact O-CA 3.36Å; G23-W79 WeakPolarHBondContact O-CZ2 3.21Å
24L98.8Very high96.8Very high10 Ų1029.5 Ų29.55%0.05215%0.152CC..  trans-62.1161.3-174.3-53.4-172.9000112.4S27 K29 R100 V103 A104 E107L24-S27 WeakPolarHBondContact O-CB 3.42Å; L24-S27 PolarHBondContact O-N 3.38Å; L24-S27 PolarHBondContact O-OG 3.26Å; L24-K29 PolarHBondContact O-NZ 3.22Å; L24-R100 HydrophobicContact CD1-CB 3.77Å; L24-R100 WeakPolarHBondContact CD1-O 3.32Å; L24-V103 HydrophobicContact CD1-CB 4.03Å; L24-V103 HydrophobicContact CD1-CG1 4.11Å; L24-V103 HydrophobicContact CD2-CG1 3.93Å; L24-A104 HydrophobicContact CD1-CB 3.97Å; L24-A104 HydrophobicContact CG-CB 4.14Å; L24-E107 HydrophobicContact CD2-CG 3.85Å
25D98.4Very high97.6Very high49 Ų4928.8 Ų28.826%0.26215%0.149SC..THydrogen-bonded Turntrans-57.2149.6169.456-79.1000110.8S27 G71 Q72 R76 R100D25-S27 PolarHBondContact O-N 3.29Å; D25-S27 VanDerWaalsContact O-N 3.07Å; D25-G71 VanDerWaalsContact N-C 3.33Å; D25-G71 PolarHBondContact N-O 3.33Å; D25-G71 VanDerWaalsContact N-O 3.09Å; D25-Q72 HydrophobicContact CB-CG 4.03Å; D25-R76 IonicContact OD1-NH2 3.46Å; D25-R76 PolarHBondContact OD1-NH2 3.08Å; D25-R100 VanDerWaalsContact CG-NH1 3.29Å; D25-R100 PolarHBondContact O-NH1 2.9Å; D25-R100 PolarHBondContact O-NH2 2.86Å; D25-R100 IonicContact OD1-NH1 3.91Å; D25-R100 PolarHBondContact OD1-NH1 2.97Å; D25-R100 IonicContact OD2-CZ 3.92Å; D25-R100 IonicContact OD2-NH1 2.67Å; D25-R100 PolarHBondContact OD2-NH1 3.13Å
26N98.3Very high98.1Very high114 Ų11426.1 Ų26.161%0.6114%0.138SC*.THydrogen-bonded Turntrans63.14.5-177.1-164.341.9000115.7G28 K130N26-G28 PolarHBondContact O-N 2.8Å; N26-K130 PolarHBondContact ND2-NZ 2.94Å; N26-K130 WeakPolarHBondContact O-CE 3.37Å; N26-K130 PolarHBondContact O-NZ 3.13Å
27S98.6Very high98.3Very high2 Ų221.9 Ų21.91%0.01412%0.118CC..SBendtrans-65.8-19.6174.653.70000114.5L24 D25 V92 N129L24-S27 WeakPolarHBondContact O-CB 3.42Å; L24-S27 PolarHBondContact O-N 3.38Å; L24-S27 PolarHBondContact O-OG 3.26Å; D25-S27 PolarHBondContact O-N 3.29Å; D25-S27 VanDerWaalsContact O-N 3.07Å; S27-V92 WeakPolarHBondContact CB-O 3.42Å; S27-V92 VanDerWaalsContact O-CG1 3.32Å; S27-V92 WeakPolarHBondContact O-CG1 3.37Å; S27-N129 PolarHBondContact O-ND2 3.02Å
28G98.5Very high98.2Very high13 Ų1325.6 Ų25.613%0.13414%0.142CC..SBendtrans100.916.6177.500000115.4N26 T30 T31 I32N26-G28 PolarHBondContact O-N 2.8Å; G28-T30 PolarHBondContact O-N 2.96Å; G28-T31 WeakPolarHBondContact O-CB 3.43Å; G28-T31 PolarHBondContact O-N 2.99Å; G28-T31 VanDerWaalsContact O-N 3.14Å; G28-I32 WeakPolarHBondContact O-CG1 3.17Å; G28-I32 PolarHBondContact O-N 3.23Å
29K98.8Very high97.9Very high11 Ų1128.3 Ų28.35%0.04817%0.165CC..Hα-helixtrans-47.5-59178.2-65.3-173.7-59.4-69.10113.8L22 G23 L24 T31 I32 I33 D68 M69 V92L22-K29 VanDerWaalsContact C-CD 3.42Å; L22-K29 WeakPolarHBondContact O-CD 3.23Å; G23-K29 PolarHBondContact O-NZ 3.28Å; L24-K29 PolarHBondContact O-NZ 3.22Å; K29-T31 VanDerWaalsContact C-N 3.26Å; K29-T31 PolarHBondContact O-N 3.5Å; K29-I32 PolarHBondContact O-N 3.13Å; K29-I33 WeakPolarHBondContact O-CG1 2.98Å; K29-I33 PolarHBondContact O-N 3.3Å; K29-D68 WeakPolarHBondContact CB-OD1 3.43Å; K29-M69 WeakPolarHBondContact CE-O 3.49Å; K29-V92 HydrophobicContact CB-CG2 4.47Å; K29-V92 HydrophobicContact CG-CB 3.75Å; K29-V92 HydrophobicContact CG-CG1 4.5Å; K29-V92 HydrophobicContact CG-CG2 3.71Å
30T98.6Very high97.7Very high35 Ų3535.6 Ų35.622%0.21520%0.204CC..Hα-helixtrans-62.3-35.3-179.1-42.60000111.8G28 I33 N34 I46 T49 D68G28-T30 PolarHBondContact O-N 2.96Å; T30-I33 PolarHBondContact O-N 2.87Å; T30-N34 WeakPolarHBondContact O-CB 3.4Å; T30-N34 PolarHBondContact O-N 3.38Å; T30-I46 HydrophobicContact CG2-CG2 3.65Å; T30-T49 PolarHBondContact OG1-OG1 3.22Å; T30-T49 VanDerWaalsContact OG1-OG1 3.11Å; T30-D68 WeakPolarHBondContact CB-OD2 3.33Å; T30-D68 WeakPolarHBondContact CG2-OD2 3.35Å; T30-D68 PolarHBondContact OG1-OD2 2.63Å
31T98.6Very high97.6Very high41 Ų4138 Ų3825%0.25222%0.223SC..Hα-helixtrans-64.2-45.7174.8-470000112.1G28 K29 N34 K35 I46 A163G28-T31 WeakPolarHBondContact O-CB 3.43Å; G28-T31 PolarHBondContact O-N 2.99Å; G28-T31 VanDerWaalsContact O-N 3.14Å; K29-T31 VanDerWaalsContact C-N 3.26Å; K29-T31 PolarHBondContact O-N 3.5Å; T31-N34 PolarHBondContact O-N 2.84Å; T31-K35 VanDerWaalsContact O-CB 3.31Å; T31-K35 WeakPolarHBondContact O-CB 3.33Å; T31-K35 PolarHBondContact O-N 3.15Å; T31-I46 VanDerWaalsContact CA-CD1 3.5Å; T31-I46 HydrophobicContact CG2-CD1 4.21Å; T31-A163 HydrophobicContact CG2-CB 3.73Å
32I98.7Very high97.4Very high1 Ų140.6 Ų40.61%0.00524%0.236CC..Hα-helixtrans-59.9-50.5175.8-71.4179.6000110.4G28 K29 N34 K35 L36 V92 F127 N129 A163 L169G28-I32 WeakPolarHBondContact O-CG1 3.17Å; G28-I32 PolarHBondContact O-N 3.23Å; K29-I32 PolarHBondContact O-N 3.13Å; I32-N34 VanDerWaalsContact C-N 3.33Å; I32-N34 PolarHBondContact O-N 3.39Å; I32-K35 PolarHBondContact O-N 3.38Å; I32-K35 VanDerWaalsContact O-N 3.15Å; I32-L36 HydrophobicContact CG2-CD1 3.99Å; I32-L36 WeakPolarHBondContact O-CG 3.28Å; I32-L36 PolarHBondContact O-N 3.22Å; I32-V92 HydrophobicContact CD1-CB 4.46Å; I32-V92 HydrophobicContact CD1-CG1 3.6Å; I32-V92 HydrophobicContact CD1-CG2 3.94Å; I32-F127 HydrophobicContact CD1-CB 3.86Å; I32-F127 HydrophobicContact CD1-CD2 3.7Å; I32-F127 HydrophobicContact CD1-CE2 4.47Å; I32-F127 HydrophobicContact CD1-CG 3.98Å; I32-F127 HydrophobicContact CG2-CD2 4Å; I32-F127 HydrophobicContact CG2-CE2 3.77Å; I32-N129 HydrophobicContact CD1-CB 4.32Å; I32-A163 HydrophobicContact CD1-CB 4.46Å; I32-A163 HydrophobicContact CG1-CB 3.48Å; I32-A163 VanDerWaalsContact CG1-CB 3.48Å; I32-L169 HydrophobicContact CB-CD2 4.42Å; I32-L169 HydrophobicContact CD1-CD2 4.2Å; I32-L169 HydrophobicContact CG1-CD2 3.95Å; I32-L169 HydrophobicContact CG2-CD1 4.4Å; I32-L169 HydrophobicContact CG2-CD2 3.89Å
33I98.3Very high97.2Very high4 Ų444.4 Ų44.42%0.02126%0.259CS..Hα-helixtrans-61.7-44.3-178.6-63.2165.1000110.4C21 K29 T30 K35 L36 K37 E55 V66 D68C21-I33 HydrophobicContact CB-CD1 3.77Å; K29-I33 WeakPolarHBondContact O-CG1 2.98Å; K29-I33 PolarHBondContact O-N 3.3Å; T30-I33 PolarHBondContact O-N 2.87Å; I33-K35 VanDerWaalsContact C-N 3.33Å; I33-K35 PolarHBondContact O-N 3.45Å; I33-L36 PolarHBondContact O-N 3.31Å; I33-K37 WeakPolarHBondContact O-CG 3.16Å; I33-K37 PolarHBondContact O-N 3.46Å; I33-E55 HydrophobicContact CG2-CB 3.57Å; I33-E55 HydrophobicContact CG2-CG 4.05Å; I33-V66 HydrophobicContact CD1-CB 4.45Å; I33-V66 HydrophobicContact CD1-CG1 3.61Å; I33-V66 HydrophobicContact CG1-CG1 4.07Å; I33-D68 HydrophobicContact CD1-CB 3.49Å; I33-D68 VanDerWaalsContact CD1-CB 3.49Å
34N98.1Very high96.7Very high13 Ų1352.8 Ų52.87%0.0730%0.298CS..Hα-helixtrans-58.9-44.8175.5-173.857.6000111.4T30 T31 I32 L36 K37 Q42 V43 I46T30-N34 WeakPolarHBondContact O-CB 3.4Å; T30-N34 PolarHBondContact O-N 3.38Å; T31-N34 PolarHBondContact O-N 2.84Å; I32-N34 VanDerWaalsContact C-N 3.33Å; I32-N34 PolarHBondContact O-N 3.39Å; N34-L36 VanDerWaalsContact C-N 3.28Å; N34-L36 PolarHBondContact O-N 2.98Å; N34-K37 WeakPolarHBondContact O-CB 3.39Å; N34-K37 PolarHBondContact O-N 2.77Å; N34-K37 VanDerWaalsContact O-N 3.1Å; N34-Q42 WeakPolarHBondContact O-CG 3.48Å; N34-Q42 WeakPolarHBondContact OD1-CA 3.33Å; N34-V43 PolarHBondContact ND2-O 2.55Å; N34-V43 WeakPolarHBondContact OD1-CG2 3.37Å; N34-V43 PolarHBondContact OD1-N 3.04Å; N34-I46 HydrophobicContact CB-CD1 3.84Å
35K98.1Very high96.4Very high68 Ų6859.3 Ų59.330%0.29633%0.333SS..Hα-helixtrans-65.8-29.4-179.4-167.569.3-178-160.70113.4T31 I32 I33 K37 Q42 A163 I164 R165 L169T31-K35 VanDerWaalsContact O-CB 3.31Å; T31-K35 WeakPolarHBondContact O-CB 3.33Å; T31-K35 PolarHBondContact O-N 3.15Å; I32-K35 PolarHBondContact O-N 3.38Å; I32-K35 VanDerWaalsContact O-N 3.15Å; I33-K35 VanDerWaalsContact C-N 3.33Å; I33-K35 PolarHBondContact O-N 3.45Å; K35-K37 VanDerWaalsContact C-N 3.28Å; K35-K37 PolarHBondContact O-N 3.4Å; K35-Q42 PolarHBondContact O-NE2 3.07Å; K35-A163 WeakPolarHBondContact CG-O 3.29Å; K35-I164 PolarHBondContact NZ-O 3.41Å; K35-R165 WeakPolarHBondContact CE-O 3.28Å; K35-R165 PolarHBondContact NZ-O 3.3Å; K35-R165 VanDerWaalsContact NZ-O 3.13Å; K35-L169 HydrophobicContact CB-CD1 3.75Å; K35-L169 HydrophobicContact CG-CD1 3.69Å
36L97.3Very high96.2Very high26 Ų2659.8 Ų59.814%0.13634%0.335CS..Hα-helixtrans-74.6-14.5175.3-70.8170.8000113.6I32 I33 N34 F57 L169 V173I32-L36 HydrophobicContact CG2-CD1 3.99Å; I32-L36 WeakPolarHBondContact O-CG 3.28Å; I32-L36 PolarHBondContact O-N 3.22Å; I33-L36 PolarHBondContact O-N 3.31Å; N34-L36 VanDerWaalsContact C-N 3.28Å; N34-L36 PolarHBondContact O-N 2.98Å; L36-F57 HydrophobicContact CB-CB 4.37Å; L36-F57 HydrophobicContact CB-CD1 4.21Å; L36-F57 HydrophobicContact CB-CD2 4.18Å; L36-F57 HydrophobicContact CB-CG 4.01Å; L36-F57 HydrophobicContact CD1-CD1 4.38Å; L36-F57 HydrophobicContact CD1-CE1 3.94Å; L36-F57 HydrophobicContact CD1-CE2 4.36Å; L36-F57 HydrophobicContact CD1-CZ 3.94Å; L36-L169 HydrophobicContact CD2-CB 4Å; L36-L169 HydrophobicContact CG-CD1 4.48Å; L36-V173 HydrophobicContact CD1-CG2 3.81Å; L36-V173 HydrophobicContact CD2-CG2 3.75Å; L36-V173 HydrophobicContact CG-CG2 4.46Å
37K96.7Very high96Very high23 Ų2359.6 Ų59.610%0.134%0.337CS..SBendtrans-74.2154.4174.2-60.1178.4-163.5177.50110.6I33 N34 K35 A41 Q42 E55I33-K37 WeakPolarHBondContact O-CG 3.16Å; I33-K37 PolarHBondContact O-N 3.46Å; N34-K37 WeakPolarHBondContact O-CB 3.39Å; N34-K37 PolarHBondContact O-N 2.77Å; N34-K37 VanDerWaalsContact O-N 3.1Å; K35-K37 VanDerWaalsContact C-N 3.28Å; K35-K37 PolarHBondContact O-N 3.4Å; K37-A41 HydrophobicContact CB-CB 4.29Å; K37-Q42 HydrophobicContact CB-CG 4.43Å; K37-Q42 PolarHBondContact O-NE2 3.43Å; K37-E55 WeakPolarHBondContact CE-OE2 3.35Å; K37-E55 IonicContact NZ-OE1 2.61Å; K37-E55 PolarHBondContact NZ-OE1 3.47Å; K37-E55 IonicContact NZ-OE2 3.99Å; K37-E55 PolarHBondContact NZ-OE2 3.19Å
38P94Very high95.8Very high79 Ų7964.3 Ų64.351%0.51337%0.368SS..  trans-51143.7168.3-26.435.6000111.6N40 A41 Q42P38-N40 WeakPolarHBondContact CB-OD1 3.5Å; P38-N40 PolarHBondContact O-N 3.07Å; P38-A41 WeakPolarHBondContact O-CA 3.4Å; P38-A41 PolarHBondContact O-N 3.24Å; P38-Q42 WeakPolarHBondContact O-CG 3.47Å; P38-Q42 PolarHBondContact O-N 3.28Å
39S93.3Very high95.5Very high104 Ų10464.8 Ų64.873%0.72737%0.368SS*.G310 helixtrans-54.6-31.5-172.2-53.10000114.3A41S39-A41 VanDerWaalsContact C-N 3.28Å; S39-A41 PolarHBondContact O-N 3.09Å
40N94.4Very high95.3Very high154 Ų15469.9 Ų69.982%0.82440%0.395SS*.G310 helixtrans-76.6-10.1177.567.4-31.2000114.4P38P38-N40 WeakPolarHBondContact CB-OD1 3.5Å; P38-N40 PolarHBondContact O-N 3.07Å
41A94.8Very high95.1Very high50 Ų5068.8 Ų68.841%0.41339%0.39SS..G310 helixtrans-109.40.2177.300000112.8K37 P38 S39K37-A41 HydrophobicContact CB-CB 4.29Å; P38-A41 WeakPolarHBondContact O-CA 3.4Å; P38-A41 PolarHBondContact O-N 3.24Å; S39-A41 VanDerWaalsContact C-N 3.28Å; S39-A41 PolarHBondContact O-N 3.09Å
42Q96Very high95Very high56 Ų5670.6 Ų70.626%0.26240%0.395SS..  trans-76.1134176.2-56.8-170.1-2.200110.1N34 K35 K37 P38N34-Q42 WeakPolarHBondContact O-CG 3.48Å; N34-Q42 WeakPolarHBondContact OD1-CA 3.33Å; K35-Q42 PolarHBondContact O-NE2 3.07Å; K37-Q42 HydrophobicContact CB-CG 4.43Å; K37-Q42 PolarHBondContact O-NE2 3.43Å; P38-Q42 WeakPolarHBondContact O-CG 3.47Å; P38-Q42 PolarHBondContact O-N 3.28Å
43V93.9Very high94.9Very high80 Ų8072.1 Ų72.149%0.48541%0.406SS..  trans-90.5148.3171.3-60.10000110.5N34 I46N34-V43 PolarHBondContact ND2-O 2.55Å; N34-V43 WeakPolarHBondContact OD1-CG2 3.37Å; N34-V43 PolarHBondContact OD1-N 3.04Å; V43-I46 HydrophobicContact CG2-CG1 4.11Å
44Q89.6Confident94.8Very high176 Ų17676.5 Ų76.582%0.82243%0.428SS*.SBendtrans-80.9-49.5179.4-65-64.5-25.800111.3
45D92.1Very high94.8Very high146 Ų14678.5 Ų78.578%0.78144%0.437SS*.  trans-95.9117.9-176.2-61.7-49.9000110.8
46I93.3Very high94.7Very high59 Ų5980.9 Ų80.930%0.30345%0.447SS..  trans-110120.5177-60.8-179.1000108.6T30 T31 N34 V43T30-I46 HydrophobicContact CG2-CG2 3.65Å; T31-I46 VanDerWaalsContact CA-CD1 3.5Å; T31-I46 HydrophobicContact CG2-CD1 4.21Å; N34-I46 HydrophobicContact CB-CD1 3.84Å; V43-I46 HydrophobicContact CG2-CG1 4.11Å
47V93.9Very high94.7Very high110 Ų11079.9 Ų79.967%0.66744%0.442SS*.PPolyproline II helixtrans-103.7156.4177.1-61.30000110.8T49V47-T49 PolarHBondContact O-N 3.49Å
48P94.4Very high94.6Very high101 Ų10186.1 Ų86.166%0.65647%0.469SS*.PPolyproline II helixtrans-57.3123.9175.7-25.634.9000112.5I50P48-I50 PolarHBondContact O-N 3.39Å
49T92.9Very high94.5Very high23 Ų2383.1 Ų83.114%0.14145%0.449CS..PPolyproline II helixtrans-62.7133.2178.9-47.90000111.8T30 V47 D68 S70T30-T49 PolarHBondContact OG1-OG1 3.22Å; T30-T49 VanDerWaalsContact OG1-OG1 3.11Å; V47-T49 PolarHBondContact O-N 3.49Å; T49-D68 PolarHBondContact OG1-OD2 2.67Å; T49-S70 VanDerWaalsContact O-CB 3.26Å; T49-S70 WeakPolarHBondContact O-CB 3.5Å; T49-S70 PolarHBondContact O-OG 3.26Å
50I93.5Very high94.2Very high119 Ų11982.4 Ų82.461%0.6145%0.445SS*.SBendtrans-100.6122.4171.5-62.4178000107.9P48 F52 Y75P48-I50 PolarHBondContact O-N 3.39Å; I50-F52 PolarHBondContact O-N 2.85Å; I50-Y75 HydrophobicContact CG2-CE1 4.47Å; I50-Y75 HydrophobicContact CG2-CE2 4.14Å
51G94.8Very high94Very high11 Ų1177.6 Ų77.611%0.11342%0.423CS..SBendtrans70.1-97.3-176.900000112.2S70G51-S70 WeakPolarHBondContact O-CB 3.49Å; G51-S70 PolarHBondContact O-N 3.15Å
52F96.6Very high94Very high79 Ų7975.4 Ų75.435%0.34640%0.404SS..EExtended strand (participates in β ladder)trans-155.9165.5176.673.2-75.1000111.1I50 I54 D68 M69 Y82I50-F52 PolarHBondContact O-N 2.85Å; F52-I54 HydrophobicContact CD2-CG1 4.22Å; F52-I54 HydrophobicContact CE2-CD1 4.16Å; F52-I54 HydrophobicContact CE2-CG1 3.9Å; F52-D68 CarbonylContact C-O 3.58Å; F52-D68 WeakPolarHBondContact CA-O 3.29Å; F52-M69 HydrophobicContact CB-CE 3.8Å; F52-M69 HydrophobicContact CB-SD 3.49Å; F52-M69 WeakPolarHBondContact CB-SD 3.34Å; F52-M69 HydrophobicContact CG-CE 4.45Å; F52-M69 HydrophobicContact CG-SD 4.27Å; F52-Y82 HydrophobicContact CD1-CE2 4.23Å; F52-Y82 HydrophobicContact CE1-CE2 4.41Å; F52-Y82 AromaticContact CE1-CZ 3.95Å; F52-Y82 WeakPolarHBondContact CE1-OH 3.4Å; F52-Y82 HydrophobicContact CE2-CE1 4.33Å; F52-Y82 AromaticContact CE2-CZ 3.97Å; F52-Y82 HydrophobicContact CG-CE2 4.35Å; F52-Y82 AromaticContact CZ-CZ 3.85Å; F52-Y82 WeakPolarHBondContact CZ-OH 3.28Å
53S97Very high94Very high34 Ų3473.4 Ų73.424%0.23840%0.396CS..EExtended strand (participates in β ladder)trans-132.5157.1165.269.30000110.7D68S53-D68 PolarHBondContact N-O 2.97Å; S53-D68 PolarHBondContact O-N 3.23Å; S53-D68 WeakPolarHBondContact OG-CB 3.47Å
54I97.2Very high94.1Very high95 Ų9569.6 Ų69.649%0.48737%0.373SS..EExtended strand (participates in β ladder)trans-107.9121.6174.1-60.9176.9000107.8F52 T65 V66 F67F52-I54 HydrophobicContact CD2-CG1 4.22Å; F52-I54 HydrophobicContact CE2-CD1 4.16Å; F52-I54 HydrophobicContact CE2-CG1 3.9Å; I54-T65 HydrophobicContact CG2-CG2 3.68Å; I54-V66 WeakPolarHBondContact CA-O 3.45Å; I54-F67 HydrophobicContact CD1-CD1 4.44Å; I54-F67 HydrophobicContact CD1-CE1 4.03Å; I54-F67 HydrophobicContact CG1-CD1 4.15Å; I54-F67 HydrophobicContact CG1-CE1 4.22Å
55E97.1Very high94.5Very high56 Ų5661.7 Ų61.726%0.26234%0.337SS..EExtended strand (participates in β ladder)trans-124.7154.1-176.7-70.2-68.4-16300111.2I33 K37 T65 V66I33-E55 HydrophobicContact CG2-CB 3.57Å; I33-E55 HydrophobicContact CG2-CG 4.05Å; K37-E55 WeakPolarHBondContact CE-OE2 3.35Å; K37-E55 IonicContact NZ-OE1 2.61Å; K37-E55 PolarHBondContact NZ-OE1 3.47Å; K37-E55 IonicContact NZ-OE2 3.99Å; K37-E55 PolarHBondContact NZ-OE2 3.19Å; E55-T65 CarbonylContact O-C 3.55Å; E55-V66 PolarHBondContact N-O 2.76Å; E55-V66 PolarHBondContact O-N 3.05Å
56K96.7Very high94.8Very high117 Ų11754.7 Ų54.751%0.50930%0.3SS..EExtended strand (participates in β ladder)trans-128.6135.3179.2-65.3-168.3174.1-161.40111.8E16 F64 T65E16-K56 IonicContact OE1-NZ 3.16Å; E16-K56 PolarHBondContact OE1-NZ 3.37Å; E16-K56 VanDerWaalsContact OE1-NZ 3.16Å; K56-F64 VanDerWaalsContact CA-O 3.27Å; K56-F64 WeakPolarHBondContact CA-O 3.41Å; K56-T65 WeakPolarHBondContact CE-OG1 3.28Å
57F96.1Very high95.1Very high6 Ų652.9 Ų52.93%0.02629%0.29CS..EExtended strand (participates in β ladder)trans-138.4163.2165.974-93.9000110L36 T59 F64 V66 V173L36-F57 HydrophobicContact CB-CB 4.37Å; L36-F57 HydrophobicContact CB-CD1 4.21Å; L36-F57 HydrophobicContact CB-CD2 4.18Å; L36-F57 HydrophobicContact CB-CG 4.01Å; L36-F57 HydrophobicContact CD1-CD1 4.38Å; L36-F57 HydrophobicContact CD1-CE1 3.94Å; L36-F57 HydrophobicContact CD1-CE2 4.36Å; L36-F57 HydrophobicContact CD1-CZ 3.94Å; F57-T59 HydrophobicContact CE2-CG2 4.1Å; F57-F64 HydrophobicContact CD1-CB 3.9Å; F57-F64 HydrophobicContact CD2-CB 4.24Å; F57-F64 HydrophobicContact CD2-CD2 4.06Å; F57-F64 HydrophobicContact CD2-CG 4.4Å; F57-F64 HydrophobicContact CE1-CB 3.58Å; F57-F64 AromaticContact CE1-CG 4Å; F57-F64 HydrophobicContact CE1-CG 4Å; F57-F64 HydrophobicContact CE2-CB 3.93Å; F57-F64 HydrophobicContact CE2-CD1 4.49Å; F57-F64 AromaticContact CE2-CD2 3.4Å; F57-F64 HydrophobicContact CE2-CD2 3.4Å; F57-F64 VanDerWaalsContact CE2-CD2 3.4Å; F57-F64 HydrophobicContact CE2-CE2 4.01Å; F57-F64 AromaticContact CE2-CG 3.69Å; F57-F64 HydrophobicContact CE2-CG 3.69Å; F57-F64 HydrophobicContact CG-CB 4.22Å; F57-F64 HydrophobicContact CZ-CB 3.59Å; F57-F64 AromaticContact CZ-CD1 3.95Å; F57-F64 HydrophobicContact CZ-CD1 3.95Å; F57-F64 AromaticContact CZ-CD2 3.69Å; F57-F64 HydrophobicContact CZ-CD2 3.69Å; F57-F64 HydrophobicContact CZ-CE2 4.34Å; F57-F64 AromaticContact CZ-CG 3.46Å; F57-F64 HydrophobicContact CZ-CG 3.46Å; F57-F64 VanDerWaalsContact CZ-CG 3.46Å; F57-F64 PolarHBondContact N-O 3.29Å; F57-F64 VanDerWaalsContact N-O 3.16Å; F57-F64 PolarHBondContact O-N 3Å; F57-V66 HydrophobicContact CD1-CG2 3.75Å; F57-V66 HydrophobicContact CE1-CG2 3.46Å; F57-V66 VanDerWaalsContact CE1-CG2 3.46Å; F57-V173 HydrophobicContact CE2-CG1 3.86Å; F57-V173 HydrophobicContact CE2-CG2 4.45Å; F57-V173 HydrophobicContact CZ-CG1 4.33Å; F57-V173 HydrophobicContact CZ-CG2 4.34Å
58K94.4Very high95.3Very high153 Ų15347.6 Ų47.667%0.66526%0.258SS*.EExtended strand (participates in β ladder)trans-127.1137.6-175.9-65.2-177.8178.5178.50110
59T92.8Very high95.5Very high16 Ų1642.9 Ų42.910%0.09823%0.227CC..  trans-101-172.8166.758.10000109.7K14 F57 S61 L62 F64 V173 Q177K14-T59 PolarHBondContact NZ-O 2.99Å; F57-T59 HydrophobicContact CE2-CG2 4.1Å; T59-S61 VanDerWaalsContact C-N 3.26Å; T59-S61 PolarHBondContact O-N 2.88Å; T59-L62 PolarHBondContact N-O 3.47Å; T59-L62 PolarHBondContact OG1-N 3.45Å; T59-L62 VanDerWaalsContact OG1-N 3.09Å; T59-L62 PolarHBondContact OG1-O 3.01Å; T59-F64 HydrophobicContact CG2-CD2 4.04Å; T59-F64 HydrophobicContact CG2-CE2 3.51Å; T59-V173 HydrophobicContact CG2-CG1 3.38Å; T59-Q177 PolarHBondContact OG1-OE1 2.73Å
60S87Confident95.7Very high90 Ų9041.9 Ų41.963%0.62922%0.221SC*.SBendtrans-58.8-38.9173.357.40000111.9K14K14-S60 WeakPolarHBondContact CE-O 3.42Å; K14-S60 PolarHBondContact NZ-O 3.31Å
61S89.8Confident95.9Very high53 Ų5336.3 Ų36.337%0.37119%0.193SC..SBendtrans-111.6-25.4-166.8-45.30000114T59 Q177T59-S61 VanDerWaalsContact C-N 3.26Å; T59-S61 PolarHBondContact O-N 2.88Å; S61-Q177 PolarHBondContact OG-NE2 3.39Å
62L94.3Very high96.1Very high4 Ų437.8 Ų37.82%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-129.1157.6-173.4-60.7176.8000112.4K15 V17 T59 F64 Q177 I180 I181K15-L62 HydrophobicContact CB-CD2 3.98Å; V17-L62 HydrophobicContact CG2-CD1 4.07Å; V17-L62 HydrophobicContact CG2-CD2 4.11Å; V17-L62 HydrophobicContact CG2-CG 4.5Å; T59-L62 PolarHBondContact N-O 3.47Å; T59-L62 PolarHBondContact OG1-N 3.45Å; T59-L62 VanDerWaalsContact OG1-N 3.09Å; T59-L62 PolarHBondContact OG1-O 3.01Å; L62-F64 HydrophobicContact CB-CD2 4.25Å; L62-F64 HydrophobicContact CB-CE2 3.75Å; L62-F64 HydrophobicContact CB-CZ 4.25Å; L62-F64 HydrophobicContact CD1-CE2 4.3Å; L62-F64 HydrophobicContact CD1-CZ 3.96Å; L62-Q177 HydrophobicContact CD1-CB 4.19Å; L62-Q177 HydrophobicContact CD1-CG 3.74Å; L62-Q177 HydrophobicContact CG-CG 4.04Å; L62-I180 HydrophobicContact CD1-CB 4.23Å; L62-I180 HydrophobicContact CD1-CD1 4.36Å; L62-I180 HydrophobicContact CD1-CG2 4.1Å; L62-I181 HydrophobicContact CD1-CG1 4.39Å; L62-I181 HydrophobicContact CD2-CG1 4.45Å
63S95.8Very high96Very high13 Ų1336.4 Ų36.49%0.09120%0.204CC..EExtended strand (participates in β ladder)trans-108.2121.4163.7-64.10000108.4K15 E16 V17K15-S63 PolarHBondContact O-N 3.32Å; E16-S63 CarbonylContact C-O 3.59Å; E16-S63 VanDerWaalsContact CA-O 3.29Å; E16-S63 WeakPolarHBondContact CA-O 3.28Å; V17-S63 PolarHBondContact N-O 2.94Å
64F97.6Very high96Very high0 Ų042.7 Ų42.70%022%0.223CC..EExtended strand (participates in β ladder)trans-95.3125.7-179.9-71.2-95.3000109.9V19 K56 F57 T59 L62 V66 V173 L176 Q177 I180V19-F64 HydrophobicContact CG2-CD1 3.59Å; V19-F64 HydrophobicContact CG2-CE1 4.02Å; K56-F64 VanDerWaalsContact CA-O 3.27Å; K56-F64 WeakPolarHBondContact CA-O 3.41Å; F57-F64 HydrophobicContact CD1-CB 3.9Å; F57-F64 HydrophobicContact CD2-CB 4.24Å; F57-F64 HydrophobicContact CD2-CD2 4.06Å; F57-F64 HydrophobicContact CD2-CG 4.4Å; F57-F64 HydrophobicContact CE1-CB 3.58Å; F57-F64 AromaticContact CE1-CG 4Å; F57-F64 HydrophobicContact CE1-CG 4Å; F57-F64 HydrophobicContact CE2-CB 3.93Å; F57-F64 HydrophobicContact CE2-CD1 4.49Å; F57-F64 AromaticContact CE2-CD2 3.4Å; F57-F64 HydrophobicContact CE2-CD2 3.4Å; F57-F64 VanDerWaalsContact CE2-CD2 3.4Å; F57-F64 HydrophobicContact CE2-CE2 4.01Å; F57-F64 AromaticContact CE2-CG 3.69Å; F57-F64 HydrophobicContact CE2-CG 3.69Å; F57-F64 HydrophobicContact CG-CB 4.22Å; F57-F64 HydrophobicContact CZ-CB 3.59Å; F57-F64 AromaticContact CZ-CD1 3.95Å; F57-F64 HydrophobicContact CZ-CD1 3.95Å; F57-F64 AromaticContact CZ-CD2 3.69Å; F57-F64 HydrophobicContact CZ-CD2 3.69Å; F57-F64 HydrophobicContact CZ-CE2 4.34Å; F57-F64 AromaticContact CZ-CG 3.46Å; F57-F64 HydrophobicContact CZ-CG 3.46Å; F57-F64 VanDerWaalsContact CZ-CG 3.46Å; F57-F64 PolarHBondContact N-O 3.29Å; F57-F64 VanDerWaalsContact N-O 3.16Å; F57-F64 PolarHBondContact O-N 3Å; T59-F64 HydrophobicContact CG2-CD2 4.04Å; T59-F64 HydrophobicContact CG2-CE2 3.51Å; L62-F64 HydrophobicContact CB-CD2 4.25Å; L62-F64 HydrophobicContact CB-CE2 3.75Å; L62-F64 HydrophobicContact CB-CZ 4.25Å; L62-F64 HydrophobicContact CD1-CE2 4.3Å; L62-F64 HydrophobicContact CD1-CZ 3.96Å; F64-V66 HydrophobicContact CB-CG2 4.3Å; F64-V173 HydrophobicContact CE2-CG1 4.49Å; F64-L176 HydrophobicContact CE1-CD2 4.22Å; F64-Q177 HydrophobicContact CZ-CB 4.34Å; F64-I180 HydrophobicContact CE1-CD1 3.92Å; F64-I180 HydrophobicContact CZ-CD1 4.35Å
65T98.2Very high95.9Very high10 Ų1040.5 Ų40.56%0.06121%0.209CC..EExtended strand (participates in β ladder)trans-101.4107.7164.5-620000107.4V17 N18 V19 I54 E55 K56 F67V17-T65 PolarHBondContact O-N 3.23Å; N18-T65 CarbonylContact C-O 3.59Å; N18-T65 WeakPolarHBondContact CA-O 3.46Å; N18-T65 WeakPolarHBondContact OD1-CB 3.44Å; V19-T65 PolarHBondContact N-O 3.41Å; I54-T65 HydrophobicContact CG2-CG2 3.68Å; E55-T65 CarbonylContact O-C 3.55Å; K56-T65 WeakPolarHBondContact CE-OG1 3.28Å; T65-F67 HydrophobicContact CG2-CE2 4.23Å
66V98.5Very high96Very high0 Ų039.7 Ų39.70%020%0.203CC..EExtended strand (participates in β ladder)trans-100.4124.7-175.1-170.20000109.9V19 C21 I33 I54 E55 F57 F64 D68V19-V66 CarbonylContact O-C 3.52Å; V19-V66 VanDerWaalsContact O-CA 3.31Å; V19-V66 WeakPolarHBondContact O-CA 3.49Å; C21-V66 HydrophobicContact CB-CG1 3.61Å; I33-V66 HydrophobicContact CD1-CB 4.45Å; I33-V66 HydrophobicContact CD1-CG1 3.61Å; I33-V66 HydrophobicContact CG1-CG1 4.07Å; I54-V66 WeakPolarHBondContact CA-O 3.45Å; E55-V66 PolarHBondContact N-O 2.76Å; E55-V66 PolarHBondContact O-N 3.05Å; F57-V66 HydrophobicContact CD1-CG2 3.75Å; F57-V66 HydrophobicContact CE1-CG2 3.46Å; F57-V66 VanDerWaalsContact CE1-CG2 3.46Å; F64-V66 HydrophobicContact CB-CG2 4.3Å; V66-D68 PolarHBondContact O-N 3.09Å
67F98.4Very high95.9Very high20 Ų2038.3 Ų38.39%0.08820%0.202CC..EExtended strand (participates in β ladder)trans-87.296.8166.6-62.1-102.7000107.2N18 V19 L20 C21 I54 T65 M69 Y82N18-F67 HydrophobicContact CB-CE2 3.98Å; V19-F67 PolarHBondContact O-N 2.83Å; L20-F67 HydrophobicContact CD2-CB 3.79Å; L20-F67 HydrophobicContact CD2-CD2 3.95Å; L20-F67 HydrophobicContact CD2-CG 3.98Å; C21-F67 PolarHBondContact N-O 2.55Å; I54-F67 HydrophobicContact CD1-CD1 4.44Å; I54-F67 HydrophobicContact CD1-CE1 4.03Å; I54-F67 HydrophobicContact CG1-CD1 4.15Å; I54-F67 HydrophobicContact CG1-CE1 4.22Å; T65-F67 HydrophobicContact CG2-CE2 4.23Å; F67-M69 HydrophobicContact CB-SD 4.03Å; F67-M69 PolarHBondContact O-N 3.4Å; F67-Y82 AromaticContact CD1-CD1 3.49Å; F67-Y82 HydrophobicContact CD1-CD1 3.49Å; F67-Y82 VanDerWaalsContact CD1-CD1 3.49Å; F67-Y82 AromaticContact CD1-CE1 3.84Å; F67-Y82 HydrophobicContact CD1-CE1 3.84Å; F67-Y82 HydrophobicContact CD1-CG 4.15Å; F67-Y82 AromaticContact CE1-CD1 3.6Å; F67-Y82 HydrophobicContact CE1-CD1 3.6Å; F67-Y82 AromaticContact CE1-CE1 3.85Å; F67-Y82 HydrophobicContact CE1-CE1 3.85Å; F67-Y82 HydrophobicContact CG-CD1 4.41Å
68D98.4Very high96Very high0 Ų040.1 Ų40.10%021%0.211CC..EExtended strand (participates in β ladder)trans-78.899.4176-177.226.8000109.4K29 T30 I33 T49 F52 S53 V66K29-D68 WeakPolarHBondContact CB-OD1 3.43Å; T30-D68 WeakPolarHBondContact CB-OD2 3.33Å; T30-D68 WeakPolarHBondContact CG2-OD2 3.35Å; T30-D68 PolarHBondContact OG1-OD2 2.63Å; I33-D68 HydrophobicContact CD1-CB 3.49Å; I33-D68 VanDerWaalsContact CD1-CB 3.49Å; T49-D68 PolarHBondContact OG1-OD2 2.67Å; F52-D68 CarbonylContact C-O 3.58Å; F52-D68 WeakPolarHBondContact CA-O 3.29Å; S53-D68 PolarHBondContact N-O 2.97Å; S53-D68 PolarHBondContact O-N 3.23Å; S53-D68 WeakPolarHBondContact OG-CB 3.47Å; V66-D68 PolarHBondContact O-N 3.09Å
69M98.3Very high96.2Very high1 Ų133 Ų331%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-87.5141.3-173.7-55.7-55-67.200111.2C21 L22 K29 F52 F67 G71 L78 W79 Y82C21-M69 PolarHBondContact O-N 3.19Å; L22-M69 HydrophobicContact CD2-CB 3.72Å; L22-M69 HydrophobicContact CD2-CG 3.41Å; L22-M69 VanDerWaalsContact CD2-CG 3.41Å; K29-M69 WeakPolarHBondContact CE-O 3.49Å; F52-M69 HydrophobicContact CB-CE 3.8Å; F52-M69 HydrophobicContact CB-SD 3.49Å; F52-M69 WeakPolarHBondContact CB-SD 3.34Å; F52-M69 HydrophobicContact CG-CE 4.45Å; F52-M69 HydrophobicContact CG-SD 4.27Å; F67-M69 HydrophobicContact CB-SD 4.03Å; F67-M69 PolarHBondContact O-N 3.4Å; M69-G71 PolarHBondContact O-N 3.48Å; M69-L78 HydrophobicContact CE-CB 4.01Å; M69-L78 WeakPolarHBondContact CE-O 3.31Å; M69-W79 VanDerWaalsContact CB-CD1 3.49Å; M69-W79 HydrophobicContact CB-CG 4.43Å; M69-Y82 HydrophobicContact CE-CD2 3.4Å; M69-Y82 HydrophobicContact CE-CE2 3.69Å; M69-Y82 HydrophobicContact CE-CG 4.41Å; M69-Y82 HydrophobicContact SD-CD2 3.92Å; M69-Y82 HydrophobicContact SD-CE2 4.35Å; M69-Y82 HydrophobicContact SD-CG 4.45Å
70S98.1Very high96.4Very high3 Ų336.5 Ų36.52%0.02120%0.196CC..  trans-63134.2172.1-170.10000110.5T49 G51 Q72 W79T49-S70 VanDerWaalsContact O-CB 3.26Å; T49-S70 WeakPolarHBondContact O-CB 3.5Å; T49-S70 PolarHBondContact O-OG 3.26Å; G51-S70 WeakPolarHBondContact O-CB 3.49Å; G51-S70 PolarHBondContact O-N 3.15Å; S70-Q72 PolarHBondContact OG-N 3.28Å; S70-W79 PolarHBondContact O-NE1 2.86Å
71G97.9Very high96.9Very high2 Ų237.3 Ų37.32%0.02119%0.189CC..  trans-92.8-0.8175.900000114.3G23 D25 M69 R76G23-G71 VanDerWaalsContact O-CA 3.29Å; G23-G71 WeakPolarHBondContact O-CA 3.36Å; D25-G71 VanDerWaalsContact N-C 3.33Å; D25-G71 PolarHBondContact N-O 3.33Å; D25-G71 VanDerWaalsContact N-O 3.09Å; M69-G71 PolarHBondContact O-N 3.48Å; G71-R76 PolarHBondContact O-NE 3.15Å; G71-R76 PolarHBondContact O-NH2 3.37Å
72Q97.2Very high97.2Very high42 Ų4237.2 Ų37.220%0.19618%0.181CC..SBendtrans-68.2136.4180-61.1176.228.100108.9D25 S70 R74 Y75 R76D25-Q72 HydrophobicContact CB-CG 4.03Å; S70-Q72 PolarHBondContact OG-N 3.28Å; Q72-R74 VanDerWaalsContact C-N 3.25Å; Q72-R74 PolarHBondContact O-N 3.11Å; Q72-Y75 HydrophobicContact CB-CD2 3.99Å; Q72-Y75 PolarHBondContact O-N 2.78Å; Q72-R76 PolarHBondContact O-N 3.03Å
73G95.8Very high97.4Very high49 Ų4937.6 Ų37.651%0.50518%0.182SC..G310 helixtrans-48.3-43.8-173.600000114.3Y75 R76G73-Y75 PolarHBondContact O-N 3.02Å; G73-Y75 VanDerWaalsContact O-N 3.1Å; G73-R76 PolarHBondContact O-N 3.18Å
74R95.9Very high97.5Very high167 Ų16743.6 Ų43.663%0.6321%0.207SC*.G310 helixtrans-64.5-12.1179.368.1175.7172.3166.61.5115.9Q72 N77Q72-R74 VanDerWaalsContact C-N 3.25Å; Q72-R74 PolarHBondContact O-N 3.11Å; R74-N77 PolarHBondContact O-OD1 3.17Å
75Y96.6Very high97.3Very high49 Ų4947.5 Ų47.519%0.19223%0.225CC..G310 helixtrans-117.2-4.2-177.5-62.8-51.8000113.4I50 Q72 G73 N77 L78I50-Y75 HydrophobicContact CG2-CE1 4.47Å; I50-Y75 HydrophobicContact CG2-CE2 4.14Å; Q72-Y75 HydrophobicContact CB-CD2 3.99Å; Q72-Y75 PolarHBondContact O-N 2.78Å; G73-Y75 PolarHBondContact O-N 3.02Å; G73-Y75 VanDerWaalsContact O-N 3.1Å; Y75-N77 PolarHBondContact O-N 3.03Å; Y75-L78 HydrophobicContact CD1-CD1 4.28Å; Y75-L78 VanDerWaalsContact O-CB 3.27Å; Y75-L78 WeakPolarHBondContact O-CB 3.34Å; Y75-L78 WeakPolarHBondContact O-CG 3.43Å; Y75-L78 PolarHBondContact O-N 2.92Å
76R97.4Very high97.3Very high38 Ų3847 Ų4714%0.14322%0.222CC..G310 helixtrans-66.1-25.7-176.4-65.1-175.3-164.8150.46.3113.3D25 G71 Q72 G73 L78 W79 E107D25-R76 IonicContact OD1-NH2 3.46Å; D25-R76 PolarHBondContact OD1-NH2 3.08Å; G71-R76 PolarHBondContact O-NE 3.15Å; G71-R76 PolarHBondContact O-NH2 3.37Å; Q72-R76 PolarHBondContact O-N 3.03Å; G73-R76 PolarHBondContact O-N 3.18Å; R76-L78 PolarHBondContact O-N 3.4Å; R76-L78 VanDerWaalsContact O-N 3.11Å; R76-W79 HydrophobicContact CB-CD2 4.39Å; R76-W79 HydrophobicContact CB-CZ2 4.43Å; R76-W79 HydrophobicContact CG-CH2 4.28Å; R76-W79 HydrophobicContact CG-CZ2 3.88Å; R76-W79 VanDerWaalsContact O-CB 3.28Å; R76-W79 WeakPolarHBondContact O-CB 3.38Å; R76-W79 PolarHBondContact O-N 3.08Å; R76-E107 VanDerWaalsContact CD-CD 3.48Å; R76-E107 WeakPolarHBondContact CD-OE1 3.36Å; R76-E107 IonicContact CZ-OE1 3.14Å; R76-E107 IonicContact NE-OE1 2.84Å; R76-E107 IonicContact NH1-OE1 3.9Å; R76-E107 PolarHBondContact NH1-OE1 3.25Å
77N96.4Very high97.2Very high89 Ų8950.4 Ų50.448%0.47624%0.238SC..G310 helixtrans-59.3-19.9170.767.9-52.7000112.7R74 Y75 W79 E80R74-N77 PolarHBondContact O-OD1 3.17Å; Y75-N77 PolarHBondContact O-N 3.03Å; N77-W79 PolarHBondContact O-N 3.4Å; N77-E80 WeakPolarHBondContact O-CG 3.5Å
78L97.1Very high97.2Very high43 Ų4349.5 Ų49.523%0.22523%0.234CC..G310 helixtrans-72.4-18175.9-63.3173.6000113.3M69 Y75 R76 E80 H81 Y82M69-L78 HydrophobicContact CE-CB 4.01Å; M69-L78 WeakPolarHBondContact CE-O 3.31Å; Y75-L78 HydrophobicContact CD1-CD1 4.28Å; Y75-L78 VanDerWaalsContact O-CB 3.27Å; Y75-L78 WeakPolarHBondContact O-CB 3.34Å; Y75-L78 WeakPolarHBondContact O-CG 3.43Å; Y75-L78 PolarHBondContact O-N 2.92Å; R76-L78 PolarHBondContact O-N 3.4Å; R76-L78 VanDerWaalsContact O-N 3.11Å; L78-E80 VanDerWaalsContact C-N 3.3Å; L78-E80 PolarHBondContact O-N 2.96Å; L78-H81 PolarHBondContact O-N 3.35Å; L78-Y82 WeakPolarHBondContact O-CD2 3.45Å
79W98.2Very high97.3Very high3 Ų349.5 Ų49.51%0.01123%0.234CC..SBendtrans-60.1-42.8-178.3-63.52000111.4L22 G23 M69 S70 R76 N77 H81 Y82 Y83 E107L22-W79 HydrophobicContact CD1-CE3 4.42Å; L22-W79 HydrophobicContact CD2-CB 4.21Å; L22-W79 HydrophobicContact CD2-CD2 3.85Å; L22-W79 HydrophobicContact CD2-CE3 4.37Å; L22-W79 HydrophobicContact CD2-CG 3.78Å; G23-W79 WeakPolarHBondContact O-CZ2 3.21Å; M69-W79 VanDerWaalsContact CB-CD1 3.49Å; M69-W79 HydrophobicContact CB-CG 4.43Å; S70-W79 PolarHBondContact O-NE1 2.86Å; R76-W79 HydrophobicContact CB-CD2 4.39Å; R76-W79 HydrophobicContact CB-CZ2 4.43Å; R76-W79 HydrophobicContact CG-CH2 4.28Å; R76-W79 HydrophobicContact CG-CZ2 3.88Å; R76-W79 VanDerWaalsContact O-CB 3.28Å; R76-W79 WeakPolarHBondContact O-CB 3.38Å; R76-W79 PolarHBondContact O-N 3.08Å; N77-W79 PolarHBondContact O-N 3.4Å; W79-H81 PolarHBondContact O-N 3.22Å; W79-Y82 PolarHBondContact O-N 2.83Å; W79-Y82 VanDerWaalsContact O-N 3.07Å; W79-Y83 VanDerWaalsContact C-CE1 3.49Å; W79-Y83 HydrophobicContact CB-CE1 3.75Å; W79-Y83 WeakPolarHBondContact CB-OH 3.49Å; W79-Y83 WeakPolarHBondContact O-CD1 3.35Å; W79-Y83 VanDerWaalsContact O-CE1 3.28Å; W79-Y83 WeakPolarHBondContact O-CE1 3.4Å; W79-E107 HydrophobicContact CH2-CB 4.47Å; W79-E107 HydrophobicContact CZ3-CB 4.15Å
80E97.3Very high97.3Very high90 Ų9049.6 Ų49.642%0.42123%0.234SC..G310 helixtrans-64.5-26.3-174.876.8-168.8-164.300113.6N77 L78 Y82 Y83N77-E80 WeakPolarHBondContact O-CG 3.5Å; L78-E80 VanDerWaalsContact C-N 3.3Å; L78-E80 PolarHBondContact O-N 2.96Å; E80-Y82 PolarHBondContact O-N 3.16Å; E80-Y83 VanDerWaalsContact CA-CD2 3.48Å; E80-Y83 VanDerWaalsContact CA-CE2 3.49Å; E80-Y83 HydrophobicContact CB-CD2 3.92Å; E80-Y83 HydrophobicContact CB-CE2 3.71Å; E80-Y83 PolarHBondContact O-N 3.48Å
81H97.1Very high97.3Very high108 Ų10849.4 Ų49.450%0.523%0.233SC..G310 helixtrans-65.9-17.8176.4-60.9-50.1000113.8L78 W79L78-H81 PolarHBondContact O-N 3.35Å; W79-H81 PolarHBondContact O-N 3.22Å
82Y97.5Very high97.4Very high51 Ų5149.4 Ų49.420%0.223%0.233CC..G310 helixtrans-113.41-177.4-62.5-81.8000113.4L20 F52 F67 M69 L78 W79 E80 K84 E85 G86L20-Y82 WeakPolarHBondContact CD1-O 3.48Å; L20-Y82 WeakPolarHBondContact CD2-O 3.5Å; F52-Y82 HydrophobicContact CD1-CE2 4.23Å; F52-Y82 HydrophobicContact CE1-CE2 4.41Å; F52-Y82 AromaticContact CE1-CZ 3.95Å; F52-Y82 WeakPolarHBondContact CE1-OH 3.4Å; F52-Y82 HydrophobicContact CE2-CE1 4.33Å; F52-Y82 AromaticContact CE2-CZ 3.97Å; F52-Y82 HydrophobicContact CG-CE2 4.35Å; F52-Y82 AromaticContact CZ-CZ 3.85Å; F52-Y82 WeakPolarHBondContact CZ-OH 3.28Å; F67-Y82 AromaticContact CD1-CD1 3.49Å; F67-Y82 HydrophobicContact CD1-CD1 3.49Å; F67-Y82 VanDerWaalsContact CD1-CD1 3.49Å; F67-Y82 AromaticContact CD1-CE1 3.84Å; F67-Y82 HydrophobicContact CD1-CE1 3.84Å; F67-Y82 HydrophobicContact CD1-CG 4.15Å; F67-Y82 AromaticContact CE1-CD1 3.6Å; F67-Y82 HydrophobicContact CE1-CD1 3.6Å; F67-Y82 AromaticContact CE1-CE1 3.85Å; F67-Y82 HydrophobicContact CE1-CE1 3.85Å; F67-Y82 HydrophobicContact CG-CD1 4.41Å; M69-Y82 HydrophobicContact CE-CD2 3.4Å; M69-Y82 HydrophobicContact CE-CE2 3.69Å; M69-Y82 HydrophobicContact CE-CG 4.41Å; M69-Y82 HydrophobicContact SD-CD2 3.92Å; M69-Y82 HydrophobicContact SD-CE2 4.35Å; M69-Y82 HydrophobicContact SD-CG 4.45Å; L78-Y82 WeakPolarHBondContact O-CD2 3.45Å; W79-Y82 PolarHBondContact O-N 2.83Å; W79-Y82 VanDerWaalsContact O-N 3.07Å; E80-Y82 PolarHBondContact O-N 3.16Å; Y82-K84 VanDerWaalsContact C-N 3.3Å; Y82-K84 PolarHBondContact O-N 3.12Å; Y82-E85 WeakPolarHBondContact CA-OE2 3.33Å; Y82-E85 PolarHBondContact O-N 3.12Å; Y82-E85 VanDerWaalsContact O-OE2 3.14Å; Y82-G86 PolarHBondContact O-N 3.03Å
83Y98.3Very high97.4Very high11 Ų1147.6 Ų47.64%0.04323%0.225CC..THydrogen-bonded Turntrans-59.8-39.3-176.5-74.9-10.6000112.7L20 L22 W79 E80 E85 G86 L111 H114 I117 R120L20-Y83 HydrophobicContact CD1-CD1 3.76Å; L20-Y83 HydrophobicContact CD1-CE1 4.48Å; L22-Y83 HydrophobicContact CD1-CE1 4.02Å; W79-Y83 VanDerWaalsContact C-CE1 3.49Å; W79-Y83 HydrophobicContact CB-CE1 3.75Å; W79-Y83 WeakPolarHBondContact CB-OH 3.49Å; W79-Y83 WeakPolarHBondContact O-CD1 3.35Å; W79-Y83 VanDerWaalsContact O-CE1 3.28Å; W79-Y83 WeakPolarHBondContact O-CE1 3.4Å; E80-Y83 VanDerWaalsContact CA-CD2 3.48Å; E80-Y83 VanDerWaalsContact CA-CE2 3.49Å; E80-Y83 HydrophobicContact CB-CD2 3.92Å; E80-Y83 HydrophobicContact CB-CE2 3.71Å; E80-Y83 PolarHBondContact O-N 3.48Å; Y83-E85 VanDerWaalsContact C-N 3.28Å; Y83-E85 PolarHBondContact O-N 3Å; Y83-G86 PolarHBondContact O-N 2.95Å; Y83-L111 HydrophobicContact CD1-CD1 3.97Å; Y83-L111 HydrophobicContact CE1-CD1 3.27Å; Y83-L111 HydrophobicContact CE2-CD1 4.05Å; Y83-L111 WeakPolarHBondContact OH-CD1 3.2Å; Y83-H114 HydrophobicContact CD2-CB 4.02Å; Y83-H114 AromaticContact CD2-CE1 3.86Å; Y83-H114 AromaticContact CD2-CG 3.56Å; Y83-H114 AromaticContact CD2-ND1 3.43Å; Y83-H114 WeakPolarHBondContact CD2-ND1 3.49Å; Y83-H114 HydrophobicContact CE2-CB 3.84Å; Y83-H114 AromaticContact CE2-CD2 3.9Å; Y83-H114 AromaticContact CE2-CG 3.62Å; Y83-H114 AromaticContact CE2-ND1 3.99Å; Y83-I117 HydrophobicContact CD1-CD1 4.18Å; Y83-I117 HydrophobicContact CD1-CG1 4.26Å; Y83-I117 HydrophobicContact CD2-CD1 4.47Å; Y83-I117 HydrophobicContact CD2-CG1 3.83Å; Y83-I117 HydrophobicContact CE2-CG1 4.44Å; Y83-I117 HydrophobicContact CG-CD1 3.87Å; Y83-I117 HydrophobicContact CG-CG1 3.74Å; Y83-R120 PolarHBondContact O-NH1 3.16Å
84K96.6Very high97.6Very high140 Ų14046.2 Ų46.261%0.60921%0.205SC*.THydrogen-bonded Turntrans-65.9-33.7-178.8-67.6-178.4-179.1174.70112.2Y82 D116 R120Y82-K84 VanDerWaalsContact C-N 3.3Å; Y82-K84 PolarHBondContact O-N 3.12Å; K84-D116 WeakPolarHBondContact CE-OD1 3.46Å; K84-D116 WeakPolarHBondContact CE-OD2 3.48Å; K84-D116 HydrophobicContact CG-CB 4.01Å; K84-D116 IonicContact NZ-OD1 3.62Å; K84-R120 PolarHBondContact O-NH2 3.44Å
85E94.6Very high97.7Very high82 Ų8238.2 Ų38.238%0.38318%0.175SC..THydrogen-bonded Turntrans-77.6-30.2-177.1-65.573.7-168.700112.1N18 Y82 Y83 Q87N18-E85 VanDerWaalsContact CB-O 3.23Å; N18-E85 WeakPolarHBondContact CB-O 3.02Å; Y82-E85 WeakPolarHBondContact CA-OE2 3.33Å; Y82-E85 PolarHBondContact O-N 3.12Å; Y82-E85 VanDerWaalsContact O-OE2 3.14Å; Y83-E85 VanDerWaalsContact C-N 3.28Å; Y83-E85 PolarHBondContact O-N 3Å; E85-Q87 PolarHBondContact O-N 3.05Å
86G96.9Very high97.8Very high0 Ų037.5 Ų37.50%018%0.18CC..  trans-69.5115.2-176.800000113.4Y82 Y83 R120Y82-G86 PolarHBondContact O-N 3.03Å; Y83-G86 PolarHBondContact O-N 2.95Å; G86-R120 PolarHBondContact O-NH2 2.82Å
87Q97.8Very high97.8Very high71 Ų7137.4 Ų37.433%0.33218%0.182SC..SBendtrans-86.9-18174.1-63.6172.2-85.600112.6V17 N18 E85 I122V17-Q87 HydrophobicContact CG1-CB 3.87Å; N18-Q87 WeakPolarHBondContact O-CB 3.49Å; N18-Q87 PolarHBondContact O-N 3.3Å; E85-Q87 PolarHBondContact O-N 3.05Å; Q87-I122 WeakPolarHBondContact O-CB 3.38Å; Q87-I122 WeakPolarHBondContact O-CG2 3.44Å
88A98.5Very high97.9Very high0 Ų038 Ų380%018%0.18CC..EExtended strand (participates in β ladder)trans-150.2164.5171.500000110.1V19 L20 P123 L176 I180V19-A88 WeakPolarHBondContact CA-O 3.34Å; V19-A88 HydrophobicContact CG2-CB 4.07Å; L20-A88 PolarHBondContact N-O 3.39Å; A88-P123 WeakPolarHBondContact CA-O 3.49Å; A88-P123 HydrophobicContact CB-CG 3.83Å; A88-L176 HydrophobicContact CB-CD1 3.88Å; A88-L176 HydrophobicContact CB-CG 4.44Å; A88-I180 HydrophobicContact CB-CD1 4.12Å; A88-I180 HydrophobicContact CB-CG1 4.39Å
89I98.9Very high97.9Very high0 Ų043.5 Ų43.50%021%0.209CC..EExtended strand (participates in β ladder)trans-122.9132.9177.4-62.8170.5000109L20 L22 F91 L111 I117 I122 P123 I124 L125L20-I89 WeakPolarHBondContact O-CA 3.33Å; L22-I89 HydrophobicContact CD1-CG2 4.25Å; I89-F91 HydrophobicContact CG2-CB 4.35Å; I89-L111 HydrophobicContact CD1-CD1 4.1Å; I89-L111 HydrophobicContact CD1-CD2 4.13Å; I89-L111 HydrophobicContact CD1-CG 4.36Å; I89-L111 HydrophobicContact CG2-CD2 4.4Å; I89-I117 HydrophobicContact CD1-CD1 4.27Å; I89-I122 HydrophobicContact CD1-CD1 3.69Å; I89-I122 HydrophobicContact CG1-CD1 3.98Å; I89-P123 PolarHBondContact N-O 3.29Å; I89-I124 HydrophobicContact CB-CG1 4.35Å; I89-I124 HydrophobicContact CB-CG2 4.22Å; I89-I124 HydrophobicContact CG2-CG2 4.19Å; I89-I124 CarbonylContact O-C 3.58Å; I89-I124 WeakPolarHBondContact O-CA 3.42Å; I89-L125 PolarHBondContact O-N 2.86Å
90I98.9Very high97.9Very high3 Ų346.3 Ų46.32%0.01522%0.22CC..EExtended strand (participates in β ladder)trans-103.1119.2160.6-65.8172.9000106.5V19 L20 C21 L22 V92 L125 F127 L176V19-I90 HydrophobicContact CG1-CB 4.43Å; V19-I90 HydrophobicContact CG1-CD1 3.92Å; V19-I90 HydrophobicContact CG1-CG1 3.79Å; L20-I90 PolarHBondContact O-N 3.31Å; C21-I90 CarbonylContact C-O 3.52Å; C21-I90 WeakPolarHBondContact CA-O 3.32Å; L22-I90 PolarHBondContact N-O 3.01Å; I90-V92 HydrophobicContact CG2-CG2 3.93Å; I90-L125 CarbonylContact C-O 3.57Å; I90-L125 WeakPolarHBondContact CA-O 2.97Å; I90-L125 HydrophobicContact CG1-CB 4.35Å; I90-L125 HydrophobicContact CG1-CD2 4.26Å; I90-F127 HydrophobicContact CG2-CD2 3.53Å; I90-F127 HydrophobicContact CG2-CE2 3.77Å; I90-L176 HydrophobicContact CD1-CD2 4.05Å; I90-L176 HydrophobicContact CG1-CD2 3.84Å
91F98.9Very high97.9Very high0 Ų042.1 Ų42.10%020%0.2CC..EExtended strand (participates in β ladder)trans-112.2116177.7-161.6-76.4000109.5L22 I89 I93 L108 L111 L125 F126 F127L22-F91 HydrophobicContact CB-CD2 4.07Å; L22-F91 HydrophobicContact CB-CE2 4.42Å; L22-F91 CarbonylContact O-C 3.52Å; L22-F91 WeakPolarHBondContact O-CA 3.43Å; I89-F91 HydrophobicContact CG2-CB 4.35Å; F91-I93 HydrophobicContact CD1-CD1 3.9Å; F91-I93 HydrophobicContact CD1-CG1 4.03Å; F91-I93 HydrophobicContact CE1-CG1 4.19Å; F91-L108 HydrophobicContact CD2-CD1 4.14Å; F91-L108 HydrophobicContact CE2-CB 4.16Å; F91-L108 HydrophobicContact CE2-CD1 4.22Å; F91-L108 HydrophobicContact CZ-CB 4.02Å; F91-L111 HydrophobicContact CD2-CD2 3.94Å; F91-L111 HydrophobicContact CE2-CD2 4.09Å; F91-L125 PolarHBondContact N-O 2.9Å; F91-F126 HydrophobicContact CB-CD1 3.7Å; F91-F126 HydrophobicContact CB-CE1 3.81Å; F91-F126 HydrophobicContact CD1-CD1 4.2Å; F91-F126 HydrophobicContact CD1-CE1 4.28Å; F91-F126 HydrophobicContact CG-CD1 4.22Å; F91-F126 HydrophobicContact CG-CE1 4.09Å; F91-F126 WeakPolarHBondContact O-CA 3.25Å; F91-F127 PolarHBondContact O-N 3.42Å
92V98.9Very high98Very high1 Ų141.1 Ų41.11%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-102.6128.6-173.5-1700000110.5L22 S27 K29 I32 I90 F127 N129L22-V92 PolarHBondContact O-N 2.93Å; S27-V92 WeakPolarHBondContact CB-O 3.42Å; S27-V92 VanDerWaalsContact O-CG1 3.32Å; S27-V92 WeakPolarHBondContact O-CG1 3.37Å; K29-V92 HydrophobicContact CB-CG2 4.47Å; K29-V92 HydrophobicContact CG-CB 3.75Å; K29-V92 HydrophobicContact CG-CG1 4.5Å; K29-V92 HydrophobicContact CG-CG2 3.71Å; I32-V92 HydrophobicContact CD1-CB 4.46Å; I32-V92 HydrophobicContact CD1-CG1 3.6Å; I32-V92 HydrophobicContact CD1-CG2 3.94Å; I90-V92 HydrophobicContact CG2-CG2 3.93Å; V92-F127 HydrophobicContact CG1-CB 4.31Å; V92-F127 HydrophobicContact CG2-CB 4.4Å; V92-F127 HydrophobicContact CG2-CD2 4.36Å; V92-N129 HydrophobicContact CG1-CB 3.9Å
93I98.9Very high98Very high5 Ų540.9 Ų40.93%0.02621%0.205CC..EExtended strand (participates in β ladder)trans-116.1133.5179.9-56.397.3000109.1F91 S95 M101 F126 F127 N129 V142 L146F91-I93 HydrophobicContact CD1-CD1 3.9Å; F91-I93 HydrophobicContact CD1-CG1 4.03Å; F91-I93 HydrophobicContact CE1-CG1 4.19Å; I93-S95 PolarHBondContact O-N 2.93Å; I93-M101 HydrophobicContact CG2-CE 3.8Å; I93-M101 HydrophobicContact CG2-SD 3.63Å; I93-F126 HydrophobicContact CD1-CB 4.21Å; I93-F126 HydrophobicContact CD1-CD1 3.96Å; I93-F127 PolarHBondContact N-O 3.4Å; I93-N129 WeakPolarHBondContact O-CA 3.3Å; I93-N129 WeakPolarHBondContact O-CB 3.23Å; I93-N129 PolarHBondContact O-N 3.16Å; I93-V142 HydrophobicContact CB-CG1 4.28Å; I93-V142 HydrophobicContact CD1-CG1 4.36Å; I93-V142 HydrophobicContact CG1-CG1 4.31Å; I93-V142 HydrophobicContact CG2-CG1 4.01Å; I93-L146 HydrophobicContact CD1-CD2 4.09Å; I93-L146 HydrophobicContact CG1-CD2 3.93Å
94D98.8Very high98.1Very high19 Ų1940.5 Ų40.510%0.10221%0.205CC..EExtended strand (participates in β ladder)trans-76.7107.1165-173.4-22.3000109A96 D97 K130D94-A96 PolarHBondContact O-N 3.48Å; D94-A96 WeakPolarHBondContact OD1-CA 3.43Å; D94-A96 WeakPolarHBondContact OD1-CB 3.35Å; D94-A96 PolarHBondContact OD1-N 3.41Å; D94-D97 HydrophobicContact CB-CB 3.79Å; D94-D97 PolarHBondContact O-N 3.39Å; D94-D97 PolarHBondContact OD1-N 3.05Å; D94-K130 WeakPolarHBondContact OD1-CD 3.18Å; D94-K130 WeakPolarHBondContact OD2-CE 3.12Å; D94-K130 IonicContact OD2-NZ 2.79Å; D94-K130 PolarHBondContact OD2-NZ 3.47Å
95S98.8Very high98.2Very high0 Ų036.5 Ų36.50%019%0.187CC..THydrogen-bonded Turntrans-72.6-16.7-177.5-51.70000113.1I93 A128 N129 L137I93-S95 PolarHBondContact O-N 2.93Å; S95-A128 WeakPolarHBondContact OG-CA 3.42Å; S95-A128 WeakPolarHBondContact OG-CB 3.15Å; S95-A128 PolarHBondContact OG-O 3.36Å; S95-N129 WeakPolarHBondContact CB-O 3.35Å; S95-N129 PolarHBondContact N-O 3.41Å; S95-N129 PolarHBondContact OG-N 3.28Å; S95-N129 PolarHBondContact OG-O 3.4Å; S95-L137 WeakPolarHBondContact CB-O 3.32Å; S95-L137 WeakPolarHBondContact O-CB 3.43Å; S95-L137 PolarHBondContact O-N 3.44Å
96A98.3Very high98.4Very high34 Ų3437.7 Ų37.728%0.28119%0.193SC..THydrogen-bonded Turntrans-84.3-20.2174.800000112.2D94 K98 V133D94-A96 PolarHBondContact O-N 3.48Å; D94-A96 WeakPolarHBondContact OD1-CA 3.43Å; D94-A96 WeakPolarHBondContact OD1-CB 3.35Å; D94-A96 PolarHBondContact OD1-N 3.41Å; A96-K98 PolarHBondContact O-N 2.96Å; A96-K98 VanDerWaalsContact O-N 3.12Å; A96-V133 HydrophobicContact CB-CB 3.97Å; A96-V133 HydrophobicContact CB-CG1 3.66Å
97D98.1Very high98.5Very high36 Ų3639.6 Ų39.619%0.19320%0.202CC..  trans-88.975-177.5-161-27.1000113D94 L99 R100 M101D94-D97 HydrophobicContact CB-CB 3.79Å; D94-D97 PolarHBondContact O-N 3.39Å; D94-D97 PolarHBondContact OD1-N 3.05Å; D97-L99 VanDerWaalsContact C-N 3.25Å; D97-L99 PolarHBondContact O-N 3.21Å; D97-R100 PolarHBondContact O-N 2.83Å; D97-R100 WeakPolarHBondContact OD1-CB 3.44Å; D97-R100 PolarHBondContact OD1-N 2.78Å; D97-R100 IonicContact OD1-NE 2.65Å; D97-R100 IonicContact OD2-CZ 3.26Å; D97-R100 IonicContact OD2-NE 3.4Å; D97-R100 PolarHBondContact OD2-NE 3.05Å; D97-R100 IonicContact OD2-NH2 2.91Å; D97-R100 PolarHBondContact OD2-NH2 3.42Å; D97-M101 PolarHBondContact O-N 2.83Å
98K97.4Very high98.5Very high101 Ų10136.4 Ų36.444%0.43919%0.187SC..SBendtrans-62.5-32.2-178-62170.4-174.11640112.8A96 M101 D135 L137A96-K98 PolarHBondContact O-N 2.96Å; A96-K98 VanDerWaalsContact O-N 3.12Å; K98-M101 WeakPolarHBondContact O-CB 3.36Å; K98-D135 WeakPolarHBondContact CE-O 3.43Å; K98-D135 PolarHBondContact NZ-O 3.19Å; K98-L137 HydrophobicContact CG-CD1 3.96Å; K98-L137 HydrophobicContact CG-CG 4.15Å
99L97.1Very high98.5Very high159 Ų15940.4 Ų40.483%0.83221%0.206SC*.SBendtrans-71.4-42.3-176.7-67.7176.2000111.3D97 M101D97-L99 VanDerWaalsContact C-N 3.25Å; D97-L99 PolarHBondContact O-N 3.21Å; L99-M101 VanDerWaalsContact C-N 3.26Å; L99-M101 PolarHBondContact O-N 3.38Å
100R98.3Very high98.5Very high61 Ų6144.7 Ų44.723%0.2323%0.232CC..THydrogen-bonded Turntrans-85.55.4-179.4-63.4-165.5-64.7156.76.8113.9L24 D25 D97 V102 V103 A104L24-R100 HydrophobicContact CD1-CB 3.77Å; L24-R100 WeakPolarHBondContact CD1-O 3.32Å; D25-R100 VanDerWaalsContact CG-NH1 3.29Å; D25-R100 PolarHBondContact O-NH1 2.9Å; D25-R100 PolarHBondContact O-NH2 2.86Å; D25-R100 IonicContact OD1-NH1 3.91Å; D25-R100 PolarHBondContact OD1-NH1 2.97Å; D25-R100 IonicContact OD2-CZ 3.92Å; D25-R100 IonicContact OD2-NH1 2.67Å; D25-R100 PolarHBondContact OD2-NH1 3.13Å; D97-R100 PolarHBondContact O-N 2.83Å; D97-R100 WeakPolarHBondContact OD1-CB 3.44Å; D97-R100 PolarHBondContact OD1-N 2.78Å; D97-R100 IonicContact OD1-NE 2.65Å; D97-R100 IonicContact OD2-CZ 3.26Å; D97-R100 IonicContact OD2-NE 3.4Å; D97-R100 PolarHBondContact OD2-NE 3.05Å; D97-R100 IonicContact OD2-NH2 2.91Å; D97-R100 PolarHBondContact OD2-NH2 3.42Å; R100-V102 PolarHBondContact O-N 2.93Å; R100-V103 WeakPolarHBondContact O-CB 3.49Å; R100-V103 PolarHBondContact O-N 3.05Å; R100-V103 VanDerWaalsContact O-N 3.13Å; R100-A104 PolarHBondContact O-N 2.67Å
101M98.3Very high98.5Very high3 Ų344.5 Ų44.52%0.01523%0.231CC..Hα-helixtrans-59.8-36.7174.9-16163.773.600112.4I93 D97 K98 L99 A104 K105 L137 V142 M145 L146I93-M101 HydrophobicContact CG2-CE 3.8Å; I93-M101 HydrophobicContact CG2-SD 3.63Å; D97-M101 PolarHBondContact O-N 2.83Å; K98-M101 WeakPolarHBondContact O-CB 3.36Å; L99-M101 VanDerWaalsContact C-N 3.26Å; L99-M101 PolarHBondContact O-N 3.38Å; M101-A104 PolarHBondContact O-N 2.83Å; M101-K105 PolarHBondContact O-N 3.11Å; M101-L137 HydrophobicContact CE-CD1 3.6Å; M101-V142 HydrophobicContact CE-CG1 4.44Å; M101-V142 HydrophobicContact CE-CG2 4.06Å; M101-V142 HydrophobicContact SD-CG1 4.34Å; M101-M145 HydrophobicContact CB-CE 3.73Å; M101-M145 HydrophobicContact CG-CB 3.73Å; M101-M145 HydrophobicContact CG-CE 3.65Å; M101-M145 HydrophobicContact CG-CG 4.46Å; M101-M145 HydrophobicContact CG-SD 3.97Å; M101-L146 HydrophobicContact CG-CD1 3.72Å; M101-L146 HydrophobicContact SD-CD1 3.2Å; M101-L146 WeakPolarHBondContact SD-CD1 3.42Å
102V98.1Very high98.5Very high86 Ų8645.8 Ų45.852%0.52124%0.238SC..Hα-helixtrans-64.7-42.9175.7-176.80000110.7R100 A104 K105 E106R100-V102 PolarHBondContact O-N 2.93Å; V102-A104 VanDerWaalsContact C-N 3.34Å; V102-A104 PolarHBondContact O-N 2.81Å; V102-K105 WeakPolarHBondContact O-CB 3.12Å; V102-K105 PolarHBondContact O-N 2.84Å; V102-E106 WeakPolarHBondContact O-CG 3.47Å; V102-E106 PolarHBondContact O-N 2.83Å
103V98.6Very high98.4Very high46 Ų4650.6 Ų50.628%0.27926%0.263SS..Hα-helixtrans-63.6-42.2175.8-174.40000110.5L24 R100 K105 E106 E107L24-V103 HydrophobicContact CD1-CB 4.03Å; L24-V103 HydrophobicContact CD1-CG1 4.11Å; L24-V103 HydrophobicContact CD2-CG1 3.93Å; R100-V103 WeakPolarHBondContact O-CB 3.49Å; R100-V103 PolarHBondContact O-N 3.05Å; R100-V103 VanDerWaalsContact O-N 3.13Å; V103-K105 VanDerWaalsContact C-N 3.29Å; V103-K105 PolarHBondContact O-N 3.49Å; V103-E106 PolarHBondContact O-N 3.04Å; V103-E107 HydrophobicContact CG1-CG 4.4Å; V103-E107 VanDerWaalsContact O-CG 3.24Å; V103-E107 WeakPolarHBondContact O-CG 3.49Å; V103-E107 PolarHBondContact O-N 3.13Å
104A98.7Very high98.4Very high4 Ų452.3 Ų52.33%0.03327%0.271CS..Hα-helixtrans-62-38.8177.100000111.9L24 R100 M101 V102 L108L24-A104 HydrophobicContact CD1-CB 3.97Å; L24-A104 HydrophobicContact CG-CB 4.14Å; R100-A104 PolarHBondContact O-N 2.67Å; M101-A104 PolarHBondContact O-N 2.83Å; V102-A104 VanDerWaalsContact C-N 3.34Å; V102-A104 PolarHBondContact O-N 2.81Å; A104-L108 WeakPolarHBondContact O-CB 3.37Å; A104-L108 PolarHBondContact O-N 2.81Å
105K98.8Very high98.4Very high56 Ų5655.8 Ų55.824%0.24330%0.295CS..Hα-helixtrans-64.2-48.3173.9178.7-178.3172.1176.90111.8M101 V102 V103 E107 L108 E109 L146 C147M101-K105 PolarHBondContact O-N 3.11Å; V102-K105 WeakPolarHBondContact O-CB 3.12Å; V102-K105 PolarHBondContact O-N 2.84Å; V103-K105 VanDerWaalsContact C-N 3.29Å; V103-K105 PolarHBondContact O-N 3.49Å; K105-E107 VanDerWaalsContact C-N 3.32Å; K105-E107 PolarHBondContact O-N 2.98Å; K105-L108 WeakPolarHBondContact O-CB 3.49Å; K105-L108 PolarHBondContact O-N 2.69Å; K105-E109 WeakPolarHBondContact CE-OE1 3.47Å; K105-E109 HydrophobicContact CG-CG 4.45Å; K105-E109 IonicContact NZ-OE1 3.85Å; K105-E109 WeakPolarHBondContact O-CG 3.49Å; K105-E109 PolarHBondContact O-N 2.86Å; K105-L146 HydrophobicContact CB-CG 4.45Å; K105-C147 PolarHBondContact NZ-SG 3.14Å
106E98.6Very high98.3Very high107 Ų10758 Ų5850%0.531%0.306SS..Hα-helixtrans-59.8-41.7178.6-73171.8-178.500112.1V102 V103 E109 T110V102-E106 WeakPolarHBondContact O-CG 3.47Å; V102-E106 PolarHBondContact O-N 2.83Å; V103-E106 PolarHBondContact O-N 3.04Å; E106-E109 PolarHBondContact O-N 2.89Å; E106-T110 WeakPolarHBondContact O-CB 2.9Å; E106-T110 PolarHBondContact O-N 2.88Å; E106-T110 PolarHBondContact O-OG1 2.75Å
107E98.8Very high98.3Very high40 Ų4056.4 Ų56.419%0.18729%0.293CS..Hα-helixtrans-66.4-39.2175.7-67.2-69.217400111.9L24 R76 W79 V103 K105 T110 L111L24-E107 HydrophobicContact CD2-CG 3.85Å; R76-E107 VanDerWaalsContact CD-CD 3.48Å; R76-E107 WeakPolarHBondContact CD-OE1 3.36Å; R76-E107 IonicContact CZ-OE1 3.14Å; R76-E107 IonicContact NE-OE1 2.84Å; R76-E107 IonicContact NH1-OE1 3.9Å; R76-E107 PolarHBondContact NH1-OE1 3.25Å; W79-E107 HydrophobicContact CH2-CB 4.47Å; W79-E107 HydrophobicContact CZ3-CB 4.15Å; V103-E107 HydrophobicContact CG1-CG 4.4Å; V103-E107 VanDerWaalsContact O-CG 3.24Å; V103-E107 WeakPolarHBondContact O-CG 3.49Å; V103-E107 PolarHBondContact O-N 3.13Å; K105-E107 VanDerWaalsContact C-N 3.32Å; K105-E107 PolarHBondContact O-N 2.98Å; E107-T110 PolarHBondContact O-N 2.99Å; E107-L111 VanDerWaalsContact O-CB 3.29Å; E107-L111 WeakPolarHBondContact O-CB 3.43Å; E107-L111 PolarHBondContact O-N 3.44Å
108L98.8Very high98.3Very high4 Ų459.3 Ų59.32%0.02130%0.304CS..Hα-helixtrans-64.2-44.4173.8176.761.9000111.6F91 A104 K105 T110 L111 L112 F126 L146 L148F91-L108 HydrophobicContact CD2-CD1 4.14Å; F91-L108 HydrophobicContact CE2-CB 4.16Å; F91-L108 HydrophobicContact CE2-CD1 4.22Å; F91-L108 HydrophobicContact CZ-CB 4.02Å; A104-L108 WeakPolarHBondContact O-CB 3.37Å; A104-L108 PolarHBondContact O-N 2.81Å; K105-L108 WeakPolarHBondContact O-CB 3.49Å; K105-L108 PolarHBondContact O-N 2.69Å; L108-T110 VanDerWaalsContact C-N 3.34Å; L108-L111 HydrophobicContact CD1-CD2 4.27Å; L108-L111 WeakPolarHBondContact O-CB 3.27Å; L108-L111 PolarHBondContact O-N 3.32Å; L108-L112 HydrophobicContact CD1-CD1 3.94Å; L108-L112 HydrophobicContact CD1-CG 4.02Å; L108-L112 HydrophobicContact CG-CD1 3.87Å; L108-L112 HydrophobicContact CG-CG 4.37Å; L108-L112 WeakPolarHBondContact O-CB 3.47Å; L108-L112 VanDerWaalsContact O-CG 3.23Å; L108-L112 WeakPolarHBondContact O-CG 3.23Å; L108-L112 PolarHBondContact O-N 3.26Å; L108-F126 HydrophobicContact CD1-CE1 3.82Å; L108-F126 HydrophobicContact CD1-CZ 3.97Å; L108-F126 HydrophobicContact CD2-CE1 3.69Å; L108-F126 HydrophobicContact CD2-CZ 3.92Å; L108-F126 HydrophobicContact CG-CE1 4.42Å; L108-L146 HydrophobicContact CD2-CB 4.42Å; L108-L146 HydrophobicContact CD2-CD2 4.01Å; L108-L146 HydrophobicContact CD2-CG 4.42Å; L108-L148 HydrophobicContact CD2-CD2 3.6Å
109E98.6Very high98.2Very high84 Ų8462 Ų6239%0.39332%0.318SS..Hα-helixtrans-63.7-40.6177.1-73.8179.2174.600111.6K105 E106 L112 N113K105-E109 WeakPolarHBondContact CE-OE1 3.47Å; K105-E109 HydrophobicContact CG-CG 4.45Å; K105-E109 IonicContact NZ-OE1 3.85Å; K105-E109 WeakPolarHBondContact O-CG 3.49Å; K105-E109 PolarHBondContact O-N 2.86Å; E106-E109 PolarHBondContact O-N 2.89Å; E109-L112 PolarHBondContact O-N 3.01Å; E109-N113 WeakPolarHBondContact O-CB 3.43Å; E109-N113 PolarHBondContact O-N 3.15Å; E109-N113 PolarHBondContact O-ND2 2.85Å
110T98.6Very high98.2Very high89 Ų8958 Ų5855%0.54629%0.291SS..Hα-helixtrans-61.1-48.2175.1-60.20000110.9E106 E107 L108 N113 H114E106-T110 WeakPolarHBondContact O-CB 2.9Å; E106-T110 PolarHBondContact O-N 2.88Å; E106-T110 PolarHBondContact O-OG1 2.75Å; E107-T110 PolarHBondContact O-N 2.99Å; L108-T110 VanDerWaalsContact C-N 3.34Å; T110-N113 PolarHBondContact O-N 3.42Å; T110-H114 PolarHBondContact O-N 3.13Å; T110-H114 VanDerWaalsContact O-N 3.16Å
111L98.6Very high98.1Very high0 Ų062.4 Ų62.40%031%0.308CS..Hα-helixtrans-56.8-50.4175168.267.1000112.2L22 Y83 I89 F91 E107 L108 N113 H114 I117L22-L111 HydrophobicContact CD1-CD1 3.73Å; L22-L111 HydrophobicContact CD1-CD2 3.74Å; L22-L111 HydrophobicContact CD1-CG 4.39Å; Y83-L111 HydrophobicContact CD1-CD1 3.97Å; Y83-L111 HydrophobicContact CE1-CD1 3.27Å; Y83-L111 HydrophobicContact CE2-CD1 4.05Å; Y83-L111 WeakPolarHBondContact OH-CD1 3.2Å; I89-L111 HydrophobicContact CD1-CD1 4.1Å; I89-L111 HydrophobicContact CD1-CD2 4.13Å; I89-L111 HydrophobicContact CD1-CG 4.36Å; I89-L111 HydrophobicContact CG2-CD2 4.4Å; F91-L111 HydrophobicContact CD2-CD2 3.94Å; F91-L111 HydrophobicContact CE2-CD2 4.09Å; E107-L111 VanDerWaalsContact O-CB 3.29Å; E107-L111 WeakPolarHBondContact O-CB 3.43Å; E107-L111 PolarHBondContact O-N 3.44Å; L108-L111 HydrophobicContact CD1-CD2 4.27Å; L108-L111 WeakPolarHBondContact O-CB 3.27Å; L108-L111 PolarHBondContact O-N 3.32Å; L111-N113 VanDerWaalsContact C-N 3.3Å; L111-N113 PolarHBondContact O-N 2.75Å; L111-H114 WeakPolarHBondContact O-CB 3.35Å; L111-H114 PolarHBondContact O-N 2.86Å; L111-I117 HydrophobicContact CD1-CG1 4.04Å; L111-I117 WeakPolarHBondContact O-CB 3.34Å
112L98.5Very high98Very high27 Ų2762.8 Ų62.814%0.14131%0.31CS..Hα-helixtrans-66.6-31.6-176.7-71.3171.8000112.9L108 E109 K118 I124 I151 K154L108-L112 HydrophobicContact CD1-CD1 3.94Å; L108-L112 HydrophobicContact CD1-CG 4.02Å; L108-L112 HydrophobicContact CG-CD1 3.87Å; L108-L112 HydrophobicContact CG-CG 4.37Å; L108-L112 WeakPolarHBondContact O-CB 3.47Å; L108-L112 VanDerWaalsContact O-CG 3.23Å; L108-L112 WeakPolarHBondContact O-CG 3.23Å; L108-L112 PolarHBondContact O-N 3.26Å; E109-L112 PolarHBondContact O-N 3.01Å; L112-K118 VanDerWaalsContact O-CA 3.28Å; L112-K118 WeakPolarHBondContact O-CA 3.12Å; L112-K118 WeakPolarHBondContact O-CB 3.38Å; L112-I124 HydrophobicContact CD2-CD1 3.53Å; L112-I151 HydrophobicContact CD1-CD1 3.74Å; L112-I151 HydrophobicContact CD1-CG1 3.81Å; L112-K154 HydrophobicContact CD2-CD 4.14Å
113N98.3Very high98Very high101 Ų10159 Ų5954%0.5429%0.287SS..Hα-helixtrans-85.1-10.4179.2-75-56.3000113.9E109 T110 L111E109-N113 WeakPolarHBondContact O-CB 3.43Å; E109-N113 PolarHBondContact O-N 3.15Å; E109-N113 PolarHBondContact O-ND2 2.85Å; T110-N113 PolarHBondContact O-N 3.42Å; L111-N113 VanDerWaalsContact C-N 3.3Å; L111-N113 PolarHBondContact O-N 2.75Å
114H98.6Very high98Very high42 Ų4256.8 Ų56.819%0.19427%0.274CS..SBendtrans-62.5136.1179.8-168.6-84.9000111.3Y83 T110 L111 D116 I117 K118Y83-H114 HydrophobicContact CD2-CB 4.02Å; Y83-H114 AromaticContact CD2-CE1 3.86Å; Y83-H114 AromaticContact CD2-CG 3.56Å; Y83-H114 AromaticContact CD2-ND1 3.43Å; Y83-H114 WeakPolarHBondContact CD2-ND1 3.49Å; Y83-H114 HydrophobicContact CE2-CB 3.84Å; Y83-H114 AromaticContact CE2-CD2 3.9Å; Y83-H114 AromaticContact CE2-CG 3.62Å; Y83-H114 AromaticContact CE2-ND1 3.99Å; T110-H114 PolarHBondContact O-N 3.13Å; T110-H114 VanDerWaalsContact O-N 3.16Å; L111-H114 WeakPolarHBondContact O-CB 3.35Å; L111-H114 PolarHBondContact O-N 2.86Å; H114-D116 IonicContact CE1-OD2 2.73Å; H114-D116 PolarHBondContact CE1-OD2 3.45Å; H114-D116 PolarHBondContact ND1-N 3.29Å; H114-D116 VanDerWaalsContact ND1-N 3.19Å; H114-D116 IonicContact ND1-OD2 3.74Å; H114-D116 PolarHBondContact O-N 2.87Å; H114-D116 VanDerWaalsContact O-N 3.13Å; H114-I117 PolarHBondContact O-N 3.05Å; H114-K118 WeakPolarHBondContact O-CB 3.49Å; H114-K118 PolarHBondContact O-N 3.1Å
115P97.7Very high98.1Very high92 Ų9256.6 Ų56.660%0.59727%0.273SS*.Hα-helixtrans-53-37.6-176.5-28.935.3000114.7I117P115-I117 PolarHBondContact O-N 3.35Å
116D98.1Very high98.1Very high46 Ų4654 Ų5425%0.24626%0.261CS..Hα-helixtrans-74.5-5.3179.1-66.8-32.6000114.8K84 H114 R120K84-D116 WeakPolarHBondContact CE-OD1 3.46Å; K84-D116 WeakPolarHBondContact CE-OD2 3.48Å; K84-D116 HydrophobicContact CG-CB 4.01Å; K84-D116 IonicContact NZ-OD1 3.62Å; H114-D116 IonicContact CE1-OD2 2.73Å; H114-D116 PolarHBondContact CE1-OD2 3.45Å; H114-D116 PolarHBondContact ND1-N 3.29Å; H114-D116 VanDerWaalsContact ND1-N 3.19Å; H114-D116 IonicContact ND1-OD2 3.74Å; H114-D116 PolarHBondContact O-N 2.87Å; H114-D116 VanDerWaalsContact O-N 3.13Å; D116-R120 WeakPolarHBondContact O-CD 3.29Å; D116-R120 PolarHBondContact O-NH1 3.49Å
117I98.3Very high98.1Very high0 Ų048.9 Ų48.90%024%0.237CC..Hα-helixtrans-121.7-43-180-60.9-62000111.2Y83 I89 L111 H114 P115 H119 R120 I122 K154Y83-I117 HydrophobicContact CD1-CD1 4.18Å; Y83-I117 HydrophobicContact CD1-CG1 4.26Å; Y83-I117 HydrophobicContact CD2-CD1 4.47Å; Y83-I117 HydrophobicContact CD2-CG1 3.83Å; Y83-I117 HydrophobicContact CE2-CG1 4.44Å; Y83-I117 HydrophobicContact CG-CD1 3.87Å; Y83-I117 HydrophobicContact CG-CG1 3.74Å; I89-I117 HydrophobicContact CD1-CD1 4.27Å; L111-I117 HydrophobicContact CD1-CG1 4.04Å; L111-I117 WeakPolarHBondContact O-CB 3.34Å; H114-I117 PolarHBondContact O-N 3.05Å; P115-I117 PolarHBondContact O-N 3.35Å; I117-H119 VanDerWaalsContact C-N 3.29Å; I117-H119 PolarHBondContact O-N 3.43Å; I117-H119 VanDerWaalsContact O-N 3.13Å; I117-R120 PolarHBondContact O-N 3.16Å; I117-I122 HydrophobicContact CD1-CD1 3.9Å; I117-I122 HydrophobicContact CG2-CD1 4.44Å; I117-K154 PolarHBondContact O-NZ 3.31Å
118K97.6Very high98.1Very high98 Ų9847 Ų4743%0.42623%0.228SC..Hα-helixtrans-47.9-48.1-171.3-175.4174.3-176.1170.30113L112 H114 K154L112-K118 VanDerWaalsContact O-CA 3.28Å; L112-K118 WeakPolarHBondContact O-CA 3.12Å; L112-K118 WeakPolarHBondContact O-CB 3.38Å; H114-K118 WeakPolarHBondContact O-CB 3.49Å; H114-K118 PolarHBondContact O-N 3.1Å; K118-K154 PolarHBondContact O-NZ 3.48Å
119H95.9Very high98.1Very high158 Ų15847 Ų4773%0.73123%0.228SC*.THydrogen-bonded Turntrans-88.7-2.7-174.8-59-63.8000114.6I117I117-H119 VanDerWaalsContact C-N 3.29Å; I117-H119 PolarHBondContact O-N 3.43Å; I117-H119 VanDerWaalsContact O-N 3.13Å
120R96.2Very high98.1Very high73 Ų7344.7 Ų44.728%0.27522%0.217SC..  trans-99.3129.1-176.5-65.4166.468.9-1510.6110.6Y83 K84 G86 D116 I117 I122 K154Y83-R120 PolarHBondContact O-NH1 3.16Å; K84-R120 PolarHBondContact O-NH2 3.44Å; G86-R120 PolarHBondContact O-NH2 2.82Å; D116-R120 WeakPolarHBondContact O-CD 3.29Å; D116-R120 PolarHBondContact O-NH1 3.49Å; I117-R120 PolarHBondContact O-N 3.16Å; R120-I122 HydrophobicContact CB-CG2 4.17Å; R120-I122 PolarHBondContact O-N 3.03Å; R120-K154 PolarHBondContact O-NZ 2.98Å
121R96.1Very high98.1Very high155 Ų15543.9 Ų43.959%0.58521%0.208SC*.  trans-83.467.3173.8-172.4169.5177.178.7-1.6110.5D153R121-D153 WeakPolarHBondContact CG-O 3.49Å; R121-D153 PolarHBondContact NH1-O 3.37Å
122I96.9Very high98Very high11 Ų1147.1 Ų47.16%0.05623%0.225CC..  trans-93.614117558177.1000110.7Q87 I89 I117 R120Q87-I122 WeakPolarHBondContact O-CB 3.38Å; Q87-I122 WeakPolarHBondContact O-CG2 3.44Å; I89-I122 HydrophobicContact CD1-CD1 3.69Å; I89-I122 HydrophobicContact CG1-CD1 3.98Å; I117-I122 HydrophobicContact CD1-CD1 3.9Å; I117-I122 HydrophobicContact CG2-CD1 4.44Å; R120-I122 HydrophobicContact CB-CG2 4.17Å; R120-I122 PolarHBondContact O-N 3.03Å
123P98.5Very high98Very high6 Ų648.7 Ų48.74%0.03924%0.236CC..  trans-70.1143176.826.9-31.6000111.9A88 I89 P155 W175 L176 Q179 I180A88-P123 WeakPolarHBondContact CA-O 3.49Å; A88-P123 HydrophobicContact CB-CG 3.83Å; I89-P123 PolarHBondContact N-O 3.29Å; P123-P155 WeakPolarHBondContact CA-O 3.48Å; P123-P155 HydrophobicContact CB-CG 4.06Å; P123-W175 HydrophobicContact CB-CH2 4.08Å; P123-W175 HydrophobicContact CB-CZ3 4.33Å; P123-L176 HydrophobicContact CB-CD1 3.97Å; P123-L176 HydrophobicContact CG-CD1 4Å; P123-Q179 HydrophobicContact CB-CB 3.88Å; P123-Q179 HydrophobicContact CB-CG 4.39Å; P123-Q179 HydrophobicContact CG-CB 4.17Å; P123-I180 HydrophobicContact CG-CG1 4.02Å
124I98.9Very high97.8Very high0 Ų054 Ų540%025%0.249CC..EExtended strand (participates in β ladder)trans-121.5114.3177.2-50.3-179.4000109.6I89 L112 F126 K154 P155 W156 Y157I89-I124 HydrophobicContact CB-CG1 4.35Å; I89-I124 HydrophobicContact CB-CG2 4.22Å; I89-I124 HydrophobicContact CG2-CG2 4.19Å; I89-I124 CarbonylContact O-C 3.58Å; I89-I124 WeakPolarHBondContact O-CA 3.42Å; L112-I124 HydrophobicContact CD2-CD1 3.53Å; I124-F126 HydrophobicContact CB-CE2 4.07Å; I124-F126 HydrophobicContact CB-CZ 4.31Å; I124-F126 HydrophobicContact CG2-CD1 4.48Å; I124-F126 HydrophobicContact CG2-CD2 4.13Å; I124-F126 HydrophobicContact CG2-CE1 3.96Å; I124-F126 HydrophobicContact CG2-CE2 3.56Å; I124-F126 HydrophobicContact CG2-CZ 3.46Å; I124-F126 VanDerWaalsContact CG2-CZ 3.46Å; I124-K154 HydrophobicContact CD1-CD 3.89Å; I124-K154 HydrophobicContact CG1-CD 4.5Å; I124-P155 PolarHBondContact N-O 2.86Å; I124-W156 HydrophobicContact CB-CB 4.37Å; I124-W156 WeakPolarHBondContact O-CA 3.5Å; I124-W156 WeakPolarHBondContact O-CB 3.43Å; I124-Y157 PolarHBondContact O-N 2.86Å; I124-Y157 VanDerWaalsContact O-N 3.17Å
125L98.9Very high97.6Very high0 Ų057.2 Ų57.20%027%0.267CS..EExtended strand (participates in β ladder)trans-94.9123.1171.8176.264.7000109.5I89 I90 F91 F127 Y157 G172 W175 L176I89-L125 PolarHBondContact O-N 2.86Å; I90-L125 CarbonylContact C-O 3.57Å; I90-L125 WeakPolarHBondContact CA-O 2.97Å; I90-L125 HydrophobicContact CG1-CB 4.35Å; I90-L125 HydrophobicContact CG1-CD2 4.26Å; F91-L125 PolarHBondContact N-O 2.9Å; L125-F127 HydrophobicContact CD1-CE1 4.49Å; L125-F127 HydrophobicContact CD2-CD2 4.49Å; L125-F127 HydrophobicContact CD2-CE1 3.9Å; L125-F127 HydrophobicContact CD2-CE2 3.76Å; L125-F127 HydrophobicContact CD2-CZ 3.44Å; L125-F127 VanDerWaalsContact CD2-CZ 3.44Å; L125-F127 HydrophobicContact CG-CE1 4.29Å; L125-F127 HydrophobicContact CG-CE2 4.43Å; L125-F127 HydrophobicContact CG-CZ 4.23Å; L125-Y157 HydrophobicContact CD1-CD1 4.18Å; L125-G172 VanDerWaalsContact CD2-C 3.42Å; L125-G172 VanDerWaalsContact CD2-O 3.28Å; L125-G172 WeakPolarHBondContact CD2-O 3.49Å; L125-W175 HydrophobicContact CB-CE3 4.33Å; L125-W175 HydrophobicContact CB-CZ3 4.07Å; L125-W175 HydrophobicContact CD1-CE3 4.05Å; L125-W175 HydrophobicContact CD1-CZ3 4.46Å; L125-L176 HydrophobicContact CB-CD1 4.15Å; L125-L176 HydrophobicContact CB-CD2 4.36Å; L125-L176 HydrophobicContact CD2-CB 4.29Å; L125-L176 HydrophobicContact CD2-CD2 4.28Å
126F98.9Very high97.6Very high0 Ų053.9 Ų53.90%025%0.247CC..EExtended strand (participates in β ladder)trans-98.9128174.1-64-83000110.3F91 I93 L108 I124 L148 I151 W156 Y157 I158 C159F91-F126 HydrophobicContact CB-CD1 3.7Å; F91-F126 HydrophobicContact CB-CE1 3.81Å; F91-F126 HydrophobicContact CD1-CD1 4.2Å; F91-F126 HydrophobicContact CD1-CE1 4.28Å; F91-F126 HydrophobicContact CG-CD1 4.22Å; F91-F126 HydrophobicContact CG-CE1 4.09Å; F91-F126 WeakPolarHBondContact O-CA 3.25Å; I93-F126 HydrophobicContact CD1-CB 4.21Å; I93-F126 HydrophobicContact CD1-CD1 3.96Å; L108-F126 HydrophobicContact CD1-CE1 3.82Å; L108-F126 HydrophobicContact CD1-CZ 3.97Å; L108-F126 HydrophobicContact CD2-CE1 3.69Å; L108-F126 HydrophobicContact CD2-CZ 3.92Å; L108-F126 HydrophobicContact CG-CE1 4.42Å; I124-F126 HydrophobicContact CB-CE2 4.07Å; I124-F126 HydrophobicContact CB-CZ 4.31Å; I124-F126 HydrophobicContact CG2-CD1 4.48Å; I124-F126 HydrophobicContact CG2-CD2 4.13Å; I124-F126 HydrophobicContact CG2-CE1 3.96Å; I124-F126 HydrophobicContact CG2-CE2 3.56Å; I124-F126 HydrophobicContact CG2-CZ 3.46Å; I124-F126 VanDerWaalsContact CG2-CZ 3.46Å; F126-L148 HydrophobicContact CD1-CD1 4.4Å; F126-L148 HydrophobicContact CD1-CD2 4.31Å; F126-L148 HydrophobicContact CD2-CD1 3.78Å; F126-L148 HydrophobicContact CD2-CD2 4.34Å; F126-L148 HydrophobicContact CE1-CD2 3.79Å; F126-L148 HydrophobicContact CE2-CD1 4.01Å; F126-L148 HydrophobicContact CE2-CD2 3.8Å; F126-L148 HydrophobicContact CE2-CG 4.47Å; F126-L148 HydrophobicContact CG-CD1 3.97Å; F126-L148 HydrophobicContact CZ-CD1 4.43Å; F126-L148 HydrophobicContact CZ-CD2 3.49Å; F126-L148 VanDerWaalsContact CZ-CD2 3.49Å; F126-I151 HydrophobicContact CE2-CD1 4.2Å; F126-I151 HydrophobicContact CZ-CD1 3.9Å; F126-W156 HydrophobicContact CD2-CB 4.28Å; F126-W156 HydrophobicContact CD2-CE3 4.38Å; F126-W156 HydrophobicContact CE2-CB 3.86Å; F126-W156 HydrophobicContact CE2-CG 4.36Å; F126-Y157 PolarHBondContact N-O 2.85Å; F126-I158 HydrophobicContact CB-CB 3.92Å; F126-I158 HydrophobicContact CB-CD1 4.16Å; F126-I158 HydrophobicContact CB-CG1 3.78Å; F126-I158 WeakPolarHBondContact O-CA 3.39Å; F126-C159 PolarHBondContact O-N 2.85Å
127F98.9Very high97.6Very high0 Ų052.7 Ų52.70%024%0.241CC..EExtended strand (participates in β ladder)trans-105107.5168.8-74.2-47.6000109.6I32 I90 F91 V92 I93 L125 N129 C159 T161 L169 V173I32-F127 HydrophobicContact CD1-CB 3.86Å; I32-F127 HydrophobicContact CD1-CD2 3.7Å; I32-F127 HydrophobicContact CD1-CE2 4.47Å; I32-F127 HydrophobicContact CD1-CG 3.98Å; I32-F127 HydrophobicContact CG2-CD2 4Å; I32-F127 HydrophobicContact CG2-CE2 3.77Å; I90-F127 HydrophobicContact CG2-CD2 3.53Å; I90-F127 HydrophobicContact CG2-CE2 3.77Å; F91-F127 PolarHBondContact O-N 3.42Å; V92-F127 HydrophobicContact CG1-CB 4.31Å; V92-F127 HydrophobicContact CG2-CB 4.4Å; V92-F127 HydrophobicContact CG2-CD2 4.36Å; I93-F127 PolarHBondContact N-O 3.4Å; L125-F127 HydrophobicContact CD1-CE1 4.49Å; L125-F127 HydrophobicContact CD2-CD2 4.49Å; L125-F127 HydrophobicContact CD2-CE1 3.9Å; L125-F127 HydrophobicContact CD2-CE2 3.76Å; L125-F127 HydrophobicContact CD2-CZ 3.44Å; L125-F127 VanDerWaalsContact CD2-CZ 3.44Å; L125-F127 HydrophobicContact CG-CE1 4.29Å; L125-F127 HydrophobicContact CG-CE2 4.43Å; L125-F127 HydrophobicContact CG-CZ 4.23Å; F127-N129 VanDerWaalsContact C-N 3.3Å; F127-N129 PolarHBondContact O-N 2.85Å; F127-N129 VanDerWaalsContact O-N 3.11Å; F127-C159 HydrophobicContact CD1-CB 3.91Å; F127-C159 HydrophobicContact CE1-CB 4.04Å; F127-T161 HydrophobicContact CB-CG2 4.39Å; F127-T161 HydrophobicContact CD1-CG2 3.28Å; F127-T161 HydrophobicContact CE1-CG2 3.72Å; F127-T161 HydrophobicContact CG-CG2 4.11Å; F127-L169 HydrophobicContact CD1-CD2 4.49Å; F127-L169 HydrophobicContact CE1-CD2 4.17Å; F127-L169 HydrophobicContact CE2-CD2 4.4Å; F127-L169 HydrophobicContact CZ-CD2 4.11Å; F127-V173 HydrophobicContact CZ-CG2 4.44Å
128A98.9Very high97.6Very high0 Ų054.9 Ų54.90%026%0.256CS..EExtended strand (participates in β ladder)trans-77.885.9165.400000107.8S95 V142 I158 C159 A160 T161S95-A128 WeakPolarHBondContact OG-CA 3.42Å; S95-A128 WeakPolarHBondContact OG-CB 3.15Å; S95-A128 PolarHBondContact OG-O 3.36Å; A128-V142 HydrophobicContact CB-CB 4.31Å; A128-V142 HydrophobicContact CB-CG1 4.39Å; A128-V142 HydrophobicContact CB-CG2 4.1Å; A128-I158 HydrophobicContact CB-CD1 4.23Å; A128-I158 HydrophobicContact CB-CG1 4.29Å; A128-C159 PolarHBondContact N-O 2.61Å; A128-A160 WeakPolarHBondContact O-CA 3.21Å; A128-T161 PolarHBondContact O-N 2.91Å
129N98.9Very high97.6Very high4 Ų451.6 Ų51.62%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-89.3169-167.9-168.336.6000112.8S27 I32 V92 I93 S95 F127 T161 A163S27-N129 PolarHBondContact O-ND2 3.02Å; I32-N129 HydrophobicContact CD1-CB 4.32Å; V92-N129 HydrophobicContact CG1-CB 3.9Å; I93-N129 WeakPolarHBondContact O-CA 3.3Å; I93-N129 WeakPolarHBondContact O-CB 3.23Å; I93-N129 PolarHBondContact O-N 3.16Å; S95-N129 WeakPolarHBondContact CB-O 3.35Å; S95-N129 PolarHBondContact N-O 3.41Å; S95-N129 PolarHBondContact OG-N 3.28Å; S95-N129 PolarHBondContact OG-O 3.4Å; F127-N129 VanDerWaalsContact C-N 3.3Å; F127-N129 PolarHBondContact O-N 2.85Å; F127-N129 VanDerWaalsContact O-N 3.11Å; N129-T161 CarbonylContact C-O 3.56Å; N129-T161 WeakPolarHBondContact CA-O 3.32Å; N129-T161 VanDerWaalsContact CA-OG1 3.3Å; N129-T161 WeakPolarHBondContact CA-OG1 3.48Å; N129-T161 PolarHBondContact OD1-O 3.47Å; N129-T161 PolarHBondContact OD1-OG1 3.23Å; N129-T161 VanDerWaalsContact OD1-OG1 3.13Å; N129-A163 WeakPolarHBondContact OD1-CB 3.32Å; N129-A163 PolarHBondContact OD1-N 2.81Å; N129-A163 VanDerWaalsContact OD1-N 3.08Å
130K98.6Very high97.8Very high37 Ų3748.4 Ų48.416%0.16124%0.237CC..  trans6938.7-179.5-48.8-163.2-169.81740114.3N26 D94 D132 V133 T161N26-K130 PolarHBondContact ND2-NZ 2.94Å; N26-K130 WeakPolarHBondContact O-CE 3.37Å; N26-K130 PolarHBondContact O-NZ 3.13Å; D94-K130 WeakPolarHBondContact OD1-CD 3.18Å; D94-K130 WeakPolarHBondContact OD2-CE 3.12Å; D94-K130 IonicContact OD2-NZ 2.79Å; D94-K130 PolarHBondContact OD2-NZ 3.47Å; K130-D132 VanDerWaalsContact C-OD1 3.26Å; K130-D132 VanDerWaalsContact CA-OD1 3.27Å; K130-D132 WeakPolarHBondContact CA-OD1 3.39Å; K130-D132 PolarHBondContact O-N 3.3Å; K130-V133 HydrophobicContact CB-CG2 3.95Å; K130-V133 WeakPolarHBondContact O-CB 3.49Å; K130-V133 PolarHBondContact O-N 2.92Å; K130-T161 PolarHBondContact N-O 2.93Å
131M98.4Very high97.9Very high72 Ų7250.4 Ų50.436%0.35525%0.247SC..THydrogen-bonded Turntrans-67.8-9.9177.2-66.3-58.1-53.600113.8V133 A136 A160 T161M131-V133 VanDerWaalsContact C-N 3.29Å; M131-A136 HydrophobicContact SD-CB 4.27Å; M131-A160 HydrophobicContact CE-CB 4.47Å; M131-A160 HydrophobicContact CG-CB 3.93Å; M131-A160 HydrophobicContact SD-CB 4.2Å; M131-T161 WeakPolarHBondContact CB-O 3.34Å; M131-T161 WeakPolarHBondContact CG-O 3.38Å; M131-T161 PolarHBondContact N-O 2.84Å
132D97.6Very high98Very high68 Ų6843 Ų4336%0.36422%0.22SC..THydrogen-bonded Turntrans-70.8-23.3168.260-61.7000113.5K130 D162K130-D132 VanDerWaalsContact C-OD1 3.26Å; K130-D132 VanDerWaalsContact CA-OD1 3.27Å; K130-D132 WeakPolarHBondContact CA-OD1 3.39Å; K130-D132 PolarHBondContact O-N 3.3Å; D132-D162 WeakPolarHBondContact CB-OD2 3.17Å
133V97.6Very high98.1Very high60 Ų6043.2 Ų43.236%0.36422%0.222SC..SBendtrans-79132.4-177.1-178.20000110.2A96 K130 M131 D135 A136A96-V133 HydrophobicContact CB-CB 3.97Å; A96-V133 HydrophobicContact CB-CG1 3.66Å; K130-V133 HydrophobicContact CB-CG2 3.95Å; K130-V133 WeakPolarHBondContact O-CB 3.49Å; K130-V133 PolarHBondContact O-N 2.92Å; M131-V133 VanDerWaalsContact C-N 3.29Å; V133-D135 PolarHBondContact O-N 3.03Å; V133-A136 VanDerWaalsContact O-CB 3.25Å; V133-A136 WeakPolarHBondContact O-CB 3.27Å; V133-A136 PolarHBondContact O-N 3.33Å
134R94.3Very high98.1Very high213 Ų21348.8 Ų48.880%0.80425%0.247SC*.THydrogen-bonded Turntrans-57.9137.6174.7-172.1179.1176.81702.2110.2A136R134-A136 PolarHBondContact O-N 3.2Å
135D93.6Very high98.1Very high109 Ų10952.6 Ų52.658%0.58327%0.266SS*.THydrogen-bonded Turntrans66.615.7-179.4-49.8-44.5000115.6K98 V133K98-D135 WeakPolarHBondContact CE-O 3.43Å; K98-D135 PolarHBondContact NZ-O 3.19Å; V133-D135 PolarHBondContact O-N 3.03Å
136A98.1Very high98Very high22 Ų2252.9 Ų52.918%0.18227%0.268CS..PPolyproline II helixtrans-55.4139166.400000111.1M131 V133 R134M131-A136 HydrophobicContact SD-CB 4.27Å; V133-A136 VanDerWaalsContact O-CB 3.25Å; V133-A136 WeakPolarHBondContact O-CB 3.27Å; V133-A136 PolarHBondContact O-N 3.33Å; R134-A136 PolarHBondContact O-N 3.2Å
137L98.5Very high98Very high20 Ų2054.1 Ų54.111%0.10528%0.276CS..PPolyproline II helixtrans-70.6131.4175.8-66.4170.7000109.9S95 K98 M101 K141 V142 M145S95-L137 WeakPolarHBondContact CB-O 3.32Å; S95-L137 WeakPolarHBondContact O-CB 3.43Å; S95-L137 PolarHBondContact O-N 3.44Å; K98-L137 HydrophobicContact CG-CD1 3.96Å; K98-L137 HydrophobicContact CG-CG 4.15Å; M101-L137 HydrophobicContact CE-CD1 3.6Å; L137-K141 HydrophobicContact CB-CB 4.3Å; L137-K141 HydrophobicContact CD2-CB 4.26Å; L137-K141 HydrophobicContact CD2-CD 3.95Å; L137-V142 HydrophobicContact CB-CG2 3.79Å; L137-M145 HydrophobicContact CD1-SD 3.53Å; L137-M145 VanDerWaalsContact CD1-SD 3.53Å
138S98.4Very high98Very high47 Ų4754.1 Ų54.133%0.32928%0.276SS..PPolyproline II helixtrans-56.8151.1168.658.80000111V140 K141 V142S138-V140 PolarHBondContact O-N 3.04Å; S138-V140 VanDerWaalsContact O-N 3.11Å; S138-K141 WeakPolarHBondContact O-CB 3.31Å; S138-K141 PolarHBondContact O-N 2.91Å; S138-K141 WeakPolarHBondContact OG-CG 3.31Å; S138-K141 PolarHBondContact OG-N 2.89Å; S138-V142 PolarHBondContact O-N 3.34Å
139S98.2Very high97.9Very high28 Ų2858 Ų5820%0.19630%0.295CS..Hα-helixtrans-49.4-38.617454.20000113.5K141 V142 S143 I158S139-K141 PolarHBondContact O-N 2.93Å; S139-V142 PolarHBondContact O-N 2.87Å; S139-S143 WeakPolarHBondContact O-CB 3.18Å; S139-S143 PolarHBondContact O-N 3.24Å; S139-I158 WeakPolarHBondContact O-CD1 3.44Å
140V98.4Very high97.9Very high92 Ų9263.2 Ų63.256%0.55832%0.322SS*.Hα-helixtrans-59.7-46.3175.9178.10000112S138 S143 Q144S138-V140 PolarHBondContact O-N 3.04Å; S138-V140 VanDerWaalsContact O-N 3.11Å; V140-S143 WeakPolarHBondContact O-CB 3.4Å; V140-S143 PolarHBondContact O-N 3.2Å; V140-Q144 WeakPolarHBondContact O-CG 3.43Å; V140-Q144 PolarHBondContact O-N 3.42Å
141K98.6Very high97.9Very high114 Ų11462.1 Ų62.150%0.49632%0.318SS..Hα-helixtrans-66.9-41.3177-72.8179.2179.3178.50111.6L137 S138 S139 S143 Q144 M145L137-K141 HydrophobicContact CB-CB 4.3Å; L137-K141 HydrophobicContact CD2-CB 4.26Å; L137-K141 HydrophobicContact CD2-CD 3.95Å; S138-K141 WeakPolarHBondContact O-CB 3.31Å; S138-K141 PolarHBondContact O-N 2.91Å; S138-K141 WeakPolarHBondContact OG-CG 3.31Å; S138-K141 PolarHBondContact OG-N 2.89Å; S139-K141 PolarHBondContact O-N 2.93Å; K141-S143 VanDerWaalsContact C-N 3.32Å; K141-S143 PolarHBondContact O-N 3.28Å; K141-Q144 PolarHBondContact O-N 3.39Å; K141-M145 VanDerWaalsContact O-CG 3.31Å; K141-M145 WeakPolarHBondContact O-CG 3.16Å; K141-M145 PolarHBondContact O-N 2.82Å
142V98.8Very high97.8Very high0 Ų066.5 Ų66.50%034%0.335CS..Hα-helixtrans-59.2-46.3174.8175.80000110.1I93 M101 A128 L137 S138 S139 Q144 M145 L146 I158I93-V142 HydrophobicContact CB-CG1 4.28Å; I93-V142 HydrophobicContact CD1-CG1 4.36Å; I93-V142 HydrophobicContact CG1-CG1 4.31Å; I93-V142 HydrophobicContact CG2-CG1 4.01Å; M101-V142 HydrophobicContact CE-CG1 4.44Å; M101-V142 HydrophobicContact CE-CG2 4.06Å; M101-V142 HydrophobicContact SD-CG1 4.34Å; A128-V142 HydrophobicContact CB-CB 4.31Å; A128-V142 HydrophobicContact CB-CG1 4.39Å; A128-V142 HydrophobicContact CB-CG2 4.1Å; L137-V142 HydrophobicContact CB-CG2 3.79Å; S138-V142 PolarHBondContact O-N 3.34Å; S139-V142 PolarHBondContact O-N 2.87Å; V142-Q144 VanDerWaalsContact C-N 3.35Å; V142-Q144 PolarHBondContact O-N 3.23Å; V142-M145 PolarHBondContact O-N 2.82Å; V142-L146 HydrophobicContact CG1-CD1 4.19Å; V142-L146 WeakPolarHBondContact O-CD1 3.33Å; V142-L146 PolarHBondContact O-N 3.4Å; V142-I158 HydrophobicContact CB-CD1 4.14Å; V142-I158 HydrophobicContact CG1-CD1 3.98Å
143S98.8Very high97.8Very high16 Ų1667 Ų6711%0.11234%0.338CS..Hα-helixtrans-56.6-46.2176.7-177.20000112.4S139 V140 K141 C147 L148S139-S143 WeakPolarHBondContact O-CB 3.18Å; S139-S143 PolarHBondContact O-N 3.24Å; V140-S143 WeakPolarHBondContact O-CB 3.4Å; V140-S143 PolarHBondContact O-N 3.2Å; K141-S143 VanDerWaalsContact C-N 3.32Å; K141-S143 PolarHBondContact O-N 3.28Å; S143-C147 PolarHBondContact O-N 2.86Å; S143-L148 PolarHBondContact O-N 3.33Å
144Q98.6Very high97.8Very high122 Ų12264.4 Ų64.457%0.5732%0.321SS*.Hα-helixtrans-64.2-43.2177.3-71.5171-15.400112V140 K141 V142 L146 C147V140-Q144 WeakPolarHBondContact O-CG 3.43Å; V140-Q144 PolarHBondContact O-N 3.42Å; K141-Q144 PolarHBondContact O-N 3.39Å; V142-Q144 VanDerWaalsContact C-N 3.35Å; V142-Q144 PolarHBondContact O-N 3.23Å; Q144-L146 VanDerWaalsContact C-N 3.34Å; Q144-L146 PolarHBondContact O-N 3.08Å; Q144-C147 PolarHBondContact O-N 2.89Å; Q144-C147 VanDerWaalsContact O-N 3.16Å
145M98.4Very high98Very high80 Ų8055.3 Ų55.339%0.39429%0.29SS..Hα-helixtrans-67.8-33.8-179.1-71.6-175.476.700112.8M101 L137 K141 V142 C147M101-M145 HydrophobicContact CB-CE 3.73Å; M101-M145 HydrophobicContact CG-CB 3.73Å; M101-M145 HydrophobicContact CG-CE 3.65Å; M101-M145 HydrophobicContact CG-CG 4.46Å; M101-M145 HydrophobicContact CG-SD 3.97Å; L137-M145 HydrophobicContact CD1-SD 3.53Å; L137-M145 VanDerWaalsContact CD1-SD 3.53Å; K141-M145 VanDerWaalsContact O-CG 3.31Å; K141-M145 WeakPolarHBondContact O-CG 3.16Å; K141-M145 PolarHBondContact O-N 2.82Å; V142-M145 PolarHBondContact O-N 2.82Å; M145-C147 VanDerWaalsContact C-N 3.3Å
146L98.6Very high98.3Very high6 Ų653.8 Ų53.83%0.03128%0.276CS..Hα-helixtrans-84-6.6174.4-88.864.2000112.9I93 M101 K105 L108 V142 Q144 L148I93-L146 HydrophobicContact CD1-CD2 4.09Å; I93-L146 HydrophobicContact CG1-CD2 3.93Å; M101-L146 HydrophobicContact CG-CD1 3.72Å; M101-L146 HydrophobicContact SD-CD1 3.2Å; M101-L146 WeakPolarHBondContact SD-CD1 3.42Å; K105-L146 HydrophobicContact CB-CG 4.45Å; L108-L146 HydrophobicContact CD2-CB 4.42Å; L108-L146 HydrophobicContact CD2-CD2 4.01Å; L108-L146 HydrophobicContact CD2-CG 4.42Å; V142-L146 HydrophobicContact CG1-CD1 4.19Å; V142-L146 WeakPolarHBondContact O-CD1 3.33Å; V142-L146 PolarHBondContact O-N 3.4Å; Q144-L146 VanDerWaalsContact C-N 3.34Å; Q144-L146 PolarHBondContact O-N 3.08Å; L146-L148 VanDerWaalsContact C-N 3.29Å; L146-L148 HydrophobicContact CB-CD2 3.68Å; L146-L148 HydrophobicContact CB-CG 3.92Å; L146-L148 HydrophobicContact CD2-CD2 4.19Å; L146-L148 PolarHBondContact O-N 3.44Å
147C98.3Very high98.3Very high27 Ų2756.5 Ų56.518%0.18228%0.283CS..THydrogen-bonded Turntrans53.343.2-175-51.30000112.8K105 S143 Q144 M145 E149 N150K105-C147 PolarHBondContact NZ-SG 3.14Å; S143-C147 PolarHBondContact O-N 2.86Å; Q144-C147 PolarHBondContact O-N 2.89Å; Q144-C147 VanDerWaalsContact O-N 3.16Å; M145-C147 VanDerWaalsContact C-N 3.3Å; C147-E149 WeakPolarHBondContact CA-OE1 3.44Å; C147-E149 WeakPolarHBondContact CA-OE2 3.42Å; C147-E149 PolarHBondContact O-N 2.94Å; C147-E149 VanDerWaalsContact O-N 3.12Å; C147-N150 WeakPolarHBondContact CB-ND2 3.33Å; C147-N150 WeakPolarHBondContact O-CB 3.24Å; C147-N150 PolarHBondContact O-N 3.19Å
148L98.6Very high98.3Very high0 Ų056.6 Ų56.60%028%0.283CS..G310 helixtrans-60.5-24.3-176.3-60.5-174.4000112.7L108 F126 S143 L146 N150 I151 W156 I158L108-L148 HydrophobicContact CD2-CD2 3.6Å; F126-L148 HydrophobicContact CD1-CD1 4.4Å; F126-L148 HydrophobicContact CD1-CD2 4.31Å; F126-L148 HydrophobicContact CD2-CD1 3.78Å; F126-L148 HydrophobicContact CD2-CD2 4.34Å; F126-L148 HydrophobicContact CE1-CD2 3.79Å; F126-L148 HydrophobicContact CE2-CD1 4.01Å; F126-L148 HydrophobicContact CE2-CD2 3.8Å; F126-L148 HydrophobicContact CE2-CG 4.47Å; F126-L148 HydrophobicContact CG-CD1 3.97Å; F126-L148 HydrophobicContact CZ-CD1 4.43Å; F126-L148 HydrophobicContact CZ-CD2 3.49Å; F126-L148 VanDerWaalsContact CZ-CD2 3.49Å; S143-L148 PolarHBondContact O-N 3.33Å; L146-L148 VanDerWaalsContact C-N 3.29Å; L146-L148 HydrophobicContact CB-CD2 3.68Å; L146-L148 HydrophobicContact CB-CG 3.92Å; L146-L148 HydrophobicContact CD2-CD2 4.19Å; L146-L148 PolarHBondContact O-N 3.44Å; L148-N150 PolarHBondContact O-N 2.86Å; L148-N150 VanDerWaalsContact O-N 3.12Å; L148-I151 HydrophobicContact CD2-CD1 3.97Å; L148-I151 WeakPolarHBondContact O-CB 3.18Å; L148-I151 PolarHBondContact O-N 3.17Å; L148-W156 HydrophobicContact CB-CD2 4.43Å; L148-W156 HydrophobicContact CB-CE3 4.4Å; L148-W156 HydrophobicContact CB-CH2 3.96Å; L148-W156 HydrophobicContact CB-CZ2 3.97Å; L148-W156 HydrophobicContact CB-CZ3 4.18Å; L148-W156 HydrophobicContact CD1-CE3 4.26Å; L148-W156 HydrophobicContact CD1-CZ3 4.12Å; L148-W156 PolarHBondContact O-NE1 3.41Å; L148-I158 HydrophobicContact CD1-CB 4.48Å; L148-I158 HydrophobicContact CD1-CD1 3.99Å
149E97.7Very high98.3Very high82 Ų8254.5 Ų54.538%0.38327%0.268SS..G310 helixtrans-58.3-21.7172.868.8-78.2-178.700113.4C147 I151 K152C147-E149 WeakPolarHBondContact CA-OE1 3.44Å; C147-E149 WeakPolarHBondContact CA-OE2 3.42Å; C147-E149 PolarHBondContact O-N 2.94Å; C147-E149 VanDerWaalsContact O-N 3.12Å; E149-I151 VanDerWaalsContact C-N 3.27Å; E149-I151 PolarHBondContact O-N 3.26Å; E149-K152 WeakPolarHBondContact O-CD 3.45Å; E149-K152 WeakPolarHBondContact O-CE 3.39Å; E149-K152 PolarHBondContact O-NZ 3.42Å
150N98.1Very high98.3Very high113 Ų11355.1 Ų55.160%0.60428%0.275SS*.G310 helixtrans-76.3-15.2176.8-67-22.2000112.9C147 L148 K152C147-N150 WeakPolarHBondContact CB-ND2 3.33Å; C147-N150 WeakPolarHBondContact O-CB 3.24Å; C147-N150 PolarHBondContact O-N 3.19Å; L148-N150 PolarHBondContact O-N 2.86Å; L148-N150 VanDerWaalsContact O-N 3.12Å; N150-K152 PolarHBondContact O-N 2.89Å; N150-K152 VanDerWaalsContact O-N 3.15Å
151I98.4Very high98.3Very high13 Ų1350.8 Ų50.87%0.06725%0.249CC..  trans-78.999.1175.1-51.1174.1000108.1L112 F126 L148 E149 K154 W156L112-I151 HydrophobicContact CD1-CD1 3.74Å; L112-I151 HydrophobicContact CD1-CG1 3.81Å; F126-I151 HydrophobicContact CE2-CD1 4.2Å; F126-I151 HydrophobicContact CZ-CD1 3.9Å; L148-I151 HydrophobicContact CD2-CD1 3.97Å; L148-I151 WeakPolarHBondContact O-CB 3.18Å; L148-I151 PolarHBondContact O-N 3.17Å; E149-I151 VanDerWaalsContact C-N 3.27Å; E149-I151 PolarHBondContact O-N 3.26Å; I151-K154 HydrophobicContact CG2-CB 3.99Å; I151-K154 HydrophobicContact CG2-CG 4.48Å; I151-W156 PolarHBondContact O-NE1 2.86Å
152K97.4Very high98.3Very high165 Ų16545.6 Ų45.672%0.71723%0.227SC*.  trans-104.6-23.8-177.3-59.5-52.7-167.6-168.10113.7E149 N150E149-K152 WeakPolarHBondContact O-CD 3.45Å; E149-K152 WeakPolarHBondContact O-CE 3.39Å; E149-K152 PolarHBondContact O-NZ 3.42Å; N150-K152 PolarHBondContact O-N 2.89Å; N150-K152 VanDerWaalsContact O-N 3.15Å
153D97Very high98.3Very high78 Ų7845.8 Ų45.842%0.41723%0.228SC..SBendtrans-93.9-7.9-170.567.5-48.7000113.3R121R121-D153 WeakPolarHBondContact CG-O 3.49Å; R121-D153 PolarHBondContact NH1-O 3.37Å
154K97.8Very high98.2Very high5 Ų550.6 Ų50.62%0.02225%0.251CS..SBendtrans-130.2138.7-179-51.3-173.1-162.1-41.70110.7L112 I117 K118 R120 I124 I151L112-K154 HydrophobicContact CD2-CD 4.14Å; I117-K154 PolarHBondContact O-NZ 3.31Å; K118-K154 PolarHBondContact O-NZ 3.48Å; R120-K154 PolarHBondContact O-NZ 2.98Å; I124-K154 HydrophobicContact CD1-CD 3.89Å; I124-K154 HydrophobicContact CG1-CD 4.5Å; I151-K154 HydrophobicContact CG2-CB 3.99Å; I151-K154 HydrophobicContact CG2-CG 4.48Å
155P98.2Very high98.1Very high23 Ų2352.4 Ų52.415%0.14925%0.253CS..  trans-68.3135.9169.928-29.3000109.4P123 I124 W175P123-P155 WeakPolarHBondContact CA-O 3.48Å; P123-P155 HydrophobicContact CB-CG 4.06Å; I124-P155 PolarHBondContact N-O 2.86Å; P155-W175 HydrophobicContact CB-CZ2 4.37Å
156W98.8Very high98.1Very high77 Ų7749.6 Ų49.629%0.29224%0.244SC..EExtended strand (participates in β ladder)trans-141.2155.8177.264-96.6000111.9I124 F126 L148 I151 I158 W175I124-W156 HydrophobicContact CB-CB 4.37Å; I124-W156 WeakPolarHBondContact O-CA 3.5Å; I124-W156 WeakPolarHBondContact O-CB 3.43Å; F126-W156 HydrophobicContact CD2-CB 4.28Å; F126-W156 HydrophobicContact CD2-CE3 4.38Å; F126-W156 HydrophobicContact CE2-CB 3.86Å; F126-W156 HydrophobicContact CE2-CG 4.36Å; L148-W156 HydrophobicContact CB-CD2 4.43Å; L148-W156 HydrophobicContact CB-CE3 4.4Å; L148-W156 HydrophobicContact CB-CH2 3.96Å; L148-W156 HydrophobicContact CB-CZ2 3.97Å; L148-W156 HydrophobicContact CB-CZ3 4.18Å; L148-W156 HydrophobicContact CD1-CE3 4.26Å; L148-W156 HydrophobicContact CD1-CZ3 4.12Å; L148-W156 PolarHBondContact O-NE1 3.41Å; I151-W156 PolarHBondContact O-NE1 2.86Å; W156-I158 HydrophobicContact CZ3-CB 4.49Å; W156-I158 HydrophobicContact CZ3-CG2 4.03Å; W156-W175 VanDerWaalsContact C-CH2 3.45Å; W156-W175 VanDerWaalsContact CA-CH2 3.47Å
157Y98.8Very high98.1Very high79 Ų7953.7 Ų53.731%0.3127%0.266SS..EExtended strand (participates in β ladder)trans-144151.2173.5-171.9-127.2000110.3I124 L125 F126 C159 E171 W175I124-Y157 PolarHBondContact O-N 2.86Å; I124-Y157 VanDerWaalsContact O-N 3.17Å; L125-Y157 HydrophobicContact CD1-CD1 4.18Å; F126-Y157 PolarHBondContact N-O 2.85Å; Y157-C159 VanDerWaalsContact CD1-SG 3.5Å; Y157-C159 WeakPolarHBondContact CE1-SG 3.15Å; Y157-E171 HydrophobicContact CE1-CG 4.39Å; Y157-E171 PolarHBondContact OH-OE1 2.89Å; Y157-W175 HydrophobicContact CD1-CB 3.93Å; Y157-W175 HydrophobicContact CD1-CD2 4.11Å; Y157-W175 AromaticContact CD1-CG 3.79Å; Y157-W175 HydrophobicContact CD1-CG 3.79Å; Y157-W175 HydrophobicContact CE1-CB 4.45Å; Y157-W175 AromaticContact CG-CD2 3.97Å; Y157-W175 HydrophobicContact CG-CD2 3.97Å; Y157-W175 HydrophobicContact CG-CE3 4.48Å; Y157-W175 AromaticContact CG-CG 3.95Å; Y157-W175 HydrophobicContact CG-CG 3.95Å
158I98.8Very high98.1Very high21 Ų2153.5 Ų53.511%0.10827%0.269CS..EExtended strand (participates in β ladder)trans-127.2126178.4-172.9167.7000110.5F126 A128 S139 V142 L148 W156F126-I158 HydrophobicContact CB-CB 3.92Å; F126-I158 HydrophobicContact CB-CD1 4.16Å; F126-I158 HydrophobicContact CB-CG1 3.78Å; F126-I158 WeakPolarHBondContact O-CA 3.39Å; A128-I158 HydrophobicContact CB-CD1 4.23Å; A128-I158 HydrophobicContact CB-CG1 4.29Å; S139-I158 WeakPolarHBondContact O-CD1 3.44Å; V142-I158 HydrophobicContact CB-CD1 4.14Å; V142-I158 HydrophobicContact CG1-CD1 3.98Å; L148-I158 HydrophobicContact CD1-CB 4.48Å; L148-I158 HydrophobicContact CD1-CD1 3.99Å; W156-I158 HydrophobicContact CZ3-CB 4.49Å; W156-I158 HydrophobicContact CZ3-CG2 4.03Å
159C98.3Very high98Very high3 Ų353.7 Ų53.72%0.0227%0.27CS..EExtended strand (participates in β ladder)trans-111.8138.9176.1-64.60000110.2F126 F127 A128 Y157 T161 G172F126-C159 PolarHBondContact O-N 2.85Å; F127-C159 HydrophobicContact CD1-CB 3.91Å; F127-C159 HydrophobicContact CE1-CB 4.04Å; A128-C159 PolarHBondContact N-O 2.61Å; Y157-C159 VanDerWaalsContact CD1-SG 3.5Å; Y157-C159 WeakPolarHBondContact CE1-SG 3.15Å; C159-T161 HydrophobicContact CB-CG2 3.92Å; C159-G172 WeakPolarHBondContact SG-CA 3.48Å
160A98.6Very high98Very high42 Ų4255 Ų5535%0.34728%0.276SS..EExtended strand (participates in β ladder)trans-79127.1164.800000108.5A128 M131A128-A160 WeakPolarHBondContact O-CA 3.21Å; M131-A160 HydrophobicContact CE-CB 4.47Å; M131-A160 HydrophobicContact CG-CB 3.93Å; M131-A160 HydrophobicContact SD-CB 4.2Å
161T98.8Very high98Very high1 Ų154.6 Ų54.61%0.00627%0.27CS..  trans-137149.7-171.865.30000114.7F127 A128 N129 K130 M131 C159 D167 L169F127-T161 HydrophobicContact CB-CG2 4.39Å; F127-T161 HydrophobicContact CD1-CG2 3.28Å; F127-T161 HydrophobicContact CE1-CG2 3.72Å; F127-T161 HydrophobicContact CG-CG2 4.11Å; A128-T161 PolarHBondContact O-N 2.91Å; N129-T161 CarbonylContact C-O 3.56Å; N129-T161 WeakPolarHBondContact CA-O 3.32Å; N129-T161 VanDerWaalsContact CA-OG1 3.3Å; N129-T161 WeakPolarHBondContact CA-OG1 3.48Å; N129-T161 PolarHBondContact OD1-O 3.47Å; N129-T161 PolarHBondContact OD1-OG1 3.23Å; N129-T161 VanDerWaalsContact OD1-OG1 3.13Å; K130-T161 PolarHBondContact N-O 2.93Å; M131-T161 WeakPolarHBondContact CB-O 3.34Å; M131-T161 WeakPolarHBondContact CG-O 3.38Å; M131-T161 PolarHBondContact N-O 2.84Å; C159-T161 HydrophobicContact CB-CG2 3.92Å; T161-D167 VanDerWaalsContact CA-O 3.28Å; T161-D167 WeakPolarHBondContact CA-O 3.41Å; T161-D167 WeakPolarHBondContact CB-O 3.49Å; T161-L169 HydrophobicContact CG2-CD2 3.88Å
162D98.5Very high98Very high5 Ų554 Ų543%0.02727%0.267CS..BIsolated β-bridgetrans-118.9102.4165172.8-12.1000107D132 I164 R165 G166 D167D132-D162 WeakPolarHBondContact CB-OD2 3.17Å; D162-I164 PolarHBondContact O-N 3.33Å; D162-I164 WeakPolarHBondContact OD1-CA 3.45Å; D162-I164 WeakPolarHBondContact OD1-CB 3.34Å; D162-I164 PolarHBondContact OD1-N 3.32Å; D162-R165 HydrophobicContact CB-CB 4.34Å; D162-R165 PolarHBondContact O-N 2.98Å; D162-R165 PolarHBondContact OD1-N 2.96Å; D162-R165 WeakPolarHBondContact OD2-CB 3.44Å; D162-R165 WeakPolarHBondContact OD2-CD 3.04Å; D162-R165 WeakPolarHBondContact OD2-CG 3.28Å; D162-R165 IonicContact OD2-CZ 3.65Å; D162-R165 IonicContact OD2-NE 3.73Å; D162-R165 IonicContact OD2-NH1 2.89Å; D162-R165 PolarHBondContact OD2-NH1 3.18Å; D162-G166 CarbonylContact O-C 3.37Å; D162-G166 WeakPolarHBondContact O-CA 2.85Å; D162-G166 PolarHBondContact O-N 3.4Å; D162-D167 HydrophobicContact CB-CB 4.27Å; D162-D167 PolarHBondContact N-O 2.81Å; D162-D167 PolarHBondContact O-N 2.95Å
163A98.1Very high98.1Very high4 Ų446.2 Ų46.23%0.03323%0.233CC..THydrogen-bonded Turntrans-64.2-23.6-178.400000113.8T31 I32 K35 N129T31-A163 HydrophobicContact CG2-CB 3.73Å; I32-A163 HydrophobicContact CD1-CB 4.46Å; I32-A163 HydrophobicContact CG1-CB 3.48Å; I32-A163 VanDerWaalsContact CG1-CB 3.48Å; K35-A163 WeakPolarHBondContact CG-O 3.29Å; N129-A163 WeakPolarHBondContact OD1-CB 3.32Å; N129-A163 PolarHBondContact OD1-N 2.81Å; N129-A163 VanDerWaalsContact OD1-N 3.08Å
164I96.4Very high98.1Very high117 Ų11745.3 Ų45.360%0.623%0.229SC*.THydrogen-bonded Turntrans-76-48-178.9-59.8171.8000108.9K35 D162K35-I164 PolarHBondContact NZ-O 3.41Å; D162-I164 PolarHBondContact O-N 3.33Å; D162-I164 WeakPolarHBondContact OD1-CA 3.45Å; D162-I164 WeakPolarHBondContact OD1-CB 3.34Å; D162-I164 PolarHBondContact OD1-N 3.32Å
165R96.8Very high98.1Very high160 Ų16047.4 Ų47.460%0.60424%0.237SC*.THydrogen-bonded Turntrans-77.9-31.6177.6-67.4-173.3-178.5113.2-6.4113K35 D162K35-R165 WeakPolarHBondContact CE-O 3.28Å; K35-R165 PolarHBondContact NZ-O 3.3Å; K35-R165 VanDerWaalsContact NZ-O 3.13Å; D162-R165 HydrophobicContact CB-CB 4.34Å; D162-R165 PolarHBondContact O-N 2.98Å; D162-R165 PolarHBondContact OD1-N 2.96Å; D162-R165 WeakPolarHBondContact OD2-CB 3.44Å; D162-R165 WeakPolarHBondContact OD2-CD 3.04Å; D162-R165 WeakPolarHBondContact OD2-CG 3.28Å; D162-R165 IonicContact OD2-CZ 3.65Å; D162-R165 IonicContact OD2-NE 3.73Å; D162-R165 IonicContact OD2-NH1 2.89Å; D162-R165 PolarHBondContact OD2-NH1 3.18Å
166G97.7Very high98.1Very high20 Ų2046.3 Ų46.321%0.20623%0.23CC..THydrogen-bonded Turntrans94.16.7-174.400000113.8D162 L169D162-G166 CarbonylContact O-C 3.37Å; D162-G166 WeakPolarHBondContact O-CA 2.85Å; D162-G166 PolarHBondContact O-N 3.4Å; G166-L169 PolarHBondContact O-N 3.46Å
167D98.4Very high98Very high92 Ų9243.1 Ų43.149%0.49222%0.218SC..BIsolated β-bridgetrans-65.3135.8-177.1-58.8-29.3000110.5T161 D162 L169T161-D167 VanDerWaalsContact CA-O 3.28Å; T161-D167 WeakPolarHBondContact CA-O 3.41Å; T161-D167 WeakPolarHBondContact CB-O 3.49Å; D162-D167 HydrophobicContact CB-CB 4.27Å; D162-D167 PolarHBondContact N-O 2.81Å; D162-D167 PolarHBondContact O-N 2.95Å; D167-L169 PolarHBondContact O-N 2.9Å; D167-L169 VanDerWaalsContact O-N 3.15Å
168G98.1Very high97.9Very high23 Ų2343 Ų4324%0.23722%0.222CC..THydrogen-bonded Turntrans73.8-9.4179.500000115.9G172G168-G172 PolarHBondContact O-N 3Å
169L98.4Very high97.8Very high4 Ų444.1 Ų44.12%0.02123%0.227CC..Hα-helixtrans-67-45.4-177.8-61.9-171.5000112.5I32 K35 L36 F127 T161 G166 D167 E171 G172 V173I32-L169 HydrophobicContact CB-CD2 4.42Å; I32-L169 HydrophobicContact CD1-CD2 4.2Å; I32-L169 HydrophobicContact CG1-CD2 3.95Å; I32-L169 HydrophobicContact CG2-CD1 4.4Å; I32-L169 HydrophobicContact CG2-CD2 3.89Å; K35-L169 HydrophobicContact CB-CD1 3.75Å; K35-L169 HydrophobicContact CG-CD1 3.69Å; L36-L169 HydrophobicContact CD2-CB 4Å; L36-L169 HydrophobicContact CG-CD1 4.48Å; F127-L169 HydrophobicContact CD1-CD2 4.49Å; F127-L169 HydrophobicContact CE1-CD2 4.17Å; F127-L169 HydrophobicContact CE2-CD2 4.4Å; F127-L169 HydrophobicContact CZ-CD2 4.11Å; T161-L169 HydrophobicContact CG2-CD2 3.88Å; G166-L169 PolarHBondContact O-N 3.46Å; D167-L169 PolarHBondContact O-N 2.9Å; D167-L169 VanDerWaalsContact O-N 3.15Å; L169-E171 PolarHBondContact O-N 3.23Å; L169-G172 PolarHBondContact O-N 3.4Å; L169-V173 WeakPolarHBondContact O-CG2 3.02Å; L169-V173 PolarHBondContact O-N 3.12Å; L169-V173 VanDerWaalsContact O-N 3.08Å
170Q97.4Very high97.7Very high109 Ų10944.3 Ų44.351%0.50923%0.228SC..Hα-helixtrans-63-44.3-176.9-171.961.151.700111.4G172 V173 D174Q170-G172 VanDerWaalsContact C-N 3.35Å; Q170-G172 PolarHBondContact O-N 3.41Å; Q170-V173 PolarHBondContact O-N 3.31Å; Q170-D174 PolarHBondContact NE2-OD1 2.9Å; Q170-D174 WeakPolarHBondContact O-CB 2.95Å; Q170-D174 PolarHBondContact O-N 3.44Å
171E97.8Very high97.4Very high106 Ų10644.5 Ų44.550%0.49522%0.223SC..Hα-helixtrans-56.4-47.2177.7-175.2-169.7151.200112Y157 L169 D174 W175Y157-E171 HydrophobicContact CE1-CG 4.39Å; Y157-E171 PolarHBondContact OH-OE1 2.89Å; L169-E171 PolarHBondContact O-N 3.23Å; E171-D174 PolarHBondContact O-N 3.26Å; E171-W175 PolarHBondContact O-N 3.34Å
172G98.4Very high97.1Very high0 Ų049 Ų490%024%0.244CC..Hα-helixtrans-64.6-42.1178.600000112.8L125 C159 G168 L169 Q170 W175 L176L125-G172 VanDerWaalsContact CD2-C 3.42Å; L125-G172 VanDerWaalsContact CD2-O 3.28Å; L125-G172 WeakPolarHBondContact CD2-O 3.49Å; C159-G172 WeakPolarHBondContact SG-CA 3.48Å; G168-G172 PolarHBondContact O-N 3Å; L169-G172 PolarHBondContact O-N 3.4Å; Q170-G172 VanDerWaalsContact C-N 3.35Å; Q170-G172 PolarHBondContact O-N 3.41Å; G172-W175 PolarHBondContact O-N 2.8Å; G172-L176 WeakPolarHBondContact O-CB 3.36Å; G172-L176 PolarHBondContact O-N 3.41Å
173V98.2Very high96.6Very high1 Ų150.9 Ų50.91%0.00626%0.257CS..Hα-helixtrans-67.9-37.3178.6168.90000112L36 F57 T59 F64 F127 L169 Q170 L176 Q177L36-V173 HydrophobicContact CD1-CG2 3.81Å; L36-V173 HydrophobicContact CD2-CG2 3.75Å; L36-V173 HydrophobicContact CG-CG2 4.46Å; F57-V173 HydrophobicContact CE2-CG1 3.86Å; F57-V173 HydrophobicContact CE2-CG2 4.45Å; F57-V173 HydrophobicContact CZ-CG1 4.33Å; F57-V173 HydrophobicContact CZ-CG2 4.34Å; T59-V173 HydrophobicContact CG2-CG1 3.38Å; F64-V173 HydrophobicContact CE2-CG1 4.49Å; F127-V173 HydrophobicContact CZ-CG2 4.44Å; L169-V173 WeakPolarHBondContact O-CG2 3.02Å; L169-V173 PolarHBondContact O-N 3.12Å; L169-V173 VanDerWaalsContact O-N 3.08Å; Q170-V173 PolarHBondContact O-N 3.31Å; V173-L176 PolarHBondContact O-N 3.07Å; V173-Q177 WeakPolarHBondContact O-CB 3.21Å; V173-Q177 PolarHBondContact O-N 2.67Å
174D97.9Very high95.8Very high60 Ų6052 Ų5232%0.32126%0.263SS..Hα-helixtrans-63.1-47175.3-71.2-19.4000110.5Q170 E171 L176 Q177 D178Q170-D174 PolarHBondContact NE2-OD1 2.9Å; Q170-D174 WeakPolarHBondContact O-CB 2.95Å; Q170-D174 PolarHBondContact O-N 3.44Å; E171-D174 PolarHBondContact O-N 3.26Å; D174-L176 VanDerWaalsContact C-N 3.31Å; D174-L176 PolarHBondContact O-N 3.21Å; D174-Q177 WeakPolarHBondContact O-CB 3.49Å; D174-Q177 PolarHBondContact O-N 2.61Å; D174-D178 PolarHBondContact O-N 3.36Å
175W98.3Very high95.1Very high49 Ų4951.5 Ų51.519%0.18626%0.258CS..Hα-helixtrans-57-45.1173.3174.788.7000112P123 L125 P155 W156 Y157 E171 G172 D178 Q179P123-W175 HydrophobicContact CB-CH2 4.08Å; P123-W175 HydrophobicContact CB-CZ3 4.33Å; L125-W175 HydrophobicContact CB-CE3 4.33Å; L125-W175 HydrophobicContact CB-CZ3 4.07Å; L125-W175 HydrophobicContact CD1-CE3 4.05Å; L125-W175 HydrophobicContact CD1-CZ3 4.46Å; P155-W175 HydrophobicContact CB-CZ2 4.37Å; W156-W175 VanDerWaalsContact C-CH2 3.45Å; W156-W175 VanDerWaalsContact CA-CH2 3.47Å; Y157-W175 HydrophobicContact CD1-CB 3.93Å; Y157-W175 HydrophobicContact CD1-CD2 4.11Å; Y157-W175 AromaticContact CD1-CG 3.79Å; Y157-W175 HydrophobicContact CD1-CG 3.79Å; Y157-W175 HydrophobicContact CE1-CB 4.45Å; Y157-W175 AromaticContact CG-CD2 3.97Å; Y157-W175 HydrophobicContact CG-CD2 3.97Å; Y157-W175 HydrophobicContact CG-CE3 4.48Å; Y157-W175 AromaticContact CG-CG 3.95Å; Y157-W175 HydrophobicContact CG-CG 3.95Å; E171-W175 PolarHBondContact O-N 3.34Å; G172-W175 PolarHBondContact O-N 2.8Å; W175-D178 PolarHBondContact O-N 2.86Å; W175-Q179 HydrophobicContact CD2-CG 4.01Å; W175-Q179 HydrophobicContact CE3-CG 4.39Å; W175-Q179 HydrophobicContact CH2-CG 3.91Å; W175-Q179 HydrophobicContact CZ2-CG 3.49Å; W175-Q179 VanDerWaalsContact CZ2-CG 3.49Å; W175-Q179 HydrophobicContact CZ3-CG 4.35Å; W175-Q179 WeakPolarHBondContact O-CG 3.35Å; W175-Q179 PolarHBondContact O-N 2.62Å
176L98.3Very high94.2Very high0 Ų048.7 Ų48.70%026%0.255CS..Hα-helixtrans-63.4-44.9-178.8-171.662.1000111.4F64 A88 I90 P123 L125 G172 V173 D174 D178 Q179 I180F64-L176 HydrophobicContact CE1-CD2 4.22Å; A88-L176 HydrophobicContact CB-CD1 3.88Å; A88-L176 HydrophobicContact CB-CG 4.44Å; I90-L176 HydrophobicContact CD1-CD2 4.05Å; I90-L176 HydrophobicContact CG1-CD2 3.84Å; P123-L176 HydrophobicContact CB-CD1 3.97Å; P123-L176 HydrophobicContact CG-CD1 4Å; L125-L176 HydrophobicContact CB-CD1 4.15Å; L125-L176 HydrophobicContact CB-CD2 4.36Å; L125-L176 HydrophobicContact CD2-CB 4.29Å; L125-L176 HydrophobicContact CD2-CD2 4.28Å; G172-L176 WeakPolarHBondContact O-CB 3.36Å; G172-L176 PolarHBondContact O-N 3.41Å; V173-L176 PolarHBondContact O-N 3.07Å; D174-L176 VanDerWaalsContact C-N 3.31Å; D174-L176 PolarHBondContact O-N 3.21Å; L176-D178 VanDerWaalsContact C-N 3.33Å; L176-D178 PolarHBondContact O-N 3.27Å; L176-Q179 PolarHBondContact O-N 3.11Å; L176-I180 HydrophobicContact CD1-CD1 4.46Å; L176-I180 HydrophobicContact CG-CD1 3.98Å; L176-I180 WeakPolarHBondContact O-CD1 3.13Å; L176-I180 VanDerWaalsContact O-CG1 3.28Å; L176-I180 WeakPolarHBondContact O-CG1 3.47Å; L176-I180 PolarHBondContact O-N 3.41Å; L176-I180 VanDerWaalsContact O-N 3.07Å
177Q96.8Very high93.1Very high10 Ų1052.2 Ų52.25%0.04727%0.269CS..Hα-helixtrans-55.8-49.5175173.1-175.5-9000110.9T59 S61 L62 F64 V173 D174 Q179 I180 I181T59-Q177 PolarHBondContact OG1-OE1 2.73Å; S61-Q177 PolarHBondContact OG-NE2 3.39Å; L62-Q177 HydrophobicContact CD1-CB 4.19Å; L62-Q177 HydrophobicContact CD1-CG 3.74Å; L62-Q177 HydrophobicContact CG-CG 4.04Å; F64-Q177 HydrophobicContact CZ-CB 4.34Å; V173-Q177 WeakPolarHBondContact O-CB 3.21Å; V173-Q177 PolarHBondContact O-N 2.67Å; D174-Q177 WeakPolarHBondContact O-CB 3.49Å; D174-Q177 PolarHBondContact O-N 2.61Å; Q177-Q179 VanDerWaalsContact C-N 3.34Å; Q177-Q179 PolarHBondContact O-N 2.94Å; Q177-I180 PolarHBondContact O-N 3.13Å; Q177-I181 HydrophobicContact CG-CD1 3.68Å; Q177-I181 HydrophobicContact CG-CG1 4.41Å; Q177-I181 WeakPolarHBondContact O-CG1 3.44Å; Q177-I181 PolarHBondContact O-N 3.2Å
178D96.4Very high91.8Very high76 Ų7651.2 Ų51.241%0.40626%0.261SS..Hα-helixtrans-63.8-41.2-176.5-71.8-8000111.5D174 W175 L176 I180 I181 Q182D174-D178 PolarHBondContact O-N 3.36Å; W175-D178 PolarHBondContact O-N 2.86Å; L176-D178 VanDerWaalsContact C-N 3.33Å; L176-D178 PolarHBondContact O-N 3.27Å; D178-I180 VanDerWaalsContact C-N 3.35Å; D178-I180 PolarHBondContact O-N 3.26Å; D178-I181 PolarHBondContact O-N 3.38Å; D178-Q182 WeakPolarHBondContact O-CB 3.48Å; D178-Q182 VanDerWaalsContact O-CG 3.24Å; D178-Q182 WeakPolarHBondContact O-CG 3.27Å; D178-Q182 PolarHBondContact O-N 3.41Å
179Q97.3Very high90.2Very high44 Ų4455.9 Ų55.921%0.20628%0.281CS..Hα-helixtrans-60.7-42.7174.1-71.1-56.1-63.900112.5P123 W175 L176 Q177 S183P123-Q179 HydrophobicContact CB-CB 3.88Å; P123-Q179 HydrophobicContact CB-CG 4.39Å; P123-Q179 HydrophobicContact CG-CB 4.17Å; W175-Q179 HydrophobicContact CD2-CG 4.01Å; W175-Q179 HydrophobicContact CE3-CG 4.39Å; W175-Q179 HydrophobicContact CH2-CG 3.91Å; W175-Q179 HydrophobicContact CZ2-CG 3.49Å; W175-Q179 VanDerWaalsContact CZ2-CG 3.49Å; W175-Q179 HydrophobicContact CZ3-CG 4.35Å; W175-Q179 WeakPolarHBondContact O-CG 3.35Å; W175-Q179 PolarHBondContact O-N 2.62Å; L176-Q179 PolarHBondContact O-N 3.11Å; Q177-Q179 VanDerWaalsContact C-N 3.34Å; Q177-Q179 PolarHBondContact O-N 2.94Å; Q179-S183 WeakPolarHBondContact O-CB 3.15Å; Q179-S183 PolarHBondContact O-N 2.79Å
180I95Very high88.6Confident7 Ų763.5 Ų63.54%0.03632%0.318CS..Hα-helixtrans-65.9-42.9179-67.3156.9000110.8V17 L62 F64 A88 P123 L176 Q177 D178 S183 N184V17-I180 HydrophobicContact CG1-CD1 3.95Å; V17-I180 HydrophobicContact CG1-CG2 4.25Å; V17-I180 HydrophobicContact CG2-CG2 3.99Å; L62-I180 HydrophobicContact CD1-CB 4.23Å; L62-I180 HydrophobicContact CD1-CD1 4.36Å; L62-I180 HydrophobicContact CD1-CG2 4.1Å; F64-I180 HydrophobicContact CE1-CD1 3.92Å; F64-I180 HydrophobicContact CZ-CD1 4.35Å; A88-I180 HydrophobicContact CB-CD1 4.12Å; A88-I180 HydrophobicContact CB-CG1 4.39Å; P123-I180 HydrophobicContact CG-CG1 4.02Å; L176-I180 HydrophobicContact CD1-CD1 4.46Å; L176-I180 HydrophobicContact CG-CD1 3.98Å; L176-I180 WeakPolarHBondContact O-CD1 3.13Å; L176-I180 VanDerWaalsContact O-CG1 3.28Å; L176-I180 WeakPolarHBondContact O-CG1 3.47Å; L176-I180 PolarHBondContact O-N 3.41Å; L176-I180 VanDerWaalsContact O-N 3.07Å; Q177-I180 PolarHBondContact O-N 3.13Å; D178-I180 VanDerWaalsContact C-N 3.35Å; D178-I180 PolarHBondContact O-N 3.26Å; I180-S183 PolarHBondContact O-N 3.19Å; I180-N184 PolarHBondContact O-N 2.84Å; I180-N184 VanDerWaalsContact O-N 3.09Å; I180-N184 PolarHBondContact O-ND2 3.06Å
181I93.1Very high86.7Confident47 Ų4763 Ų6324%0.24133%0.327CS..Hα-helixtrans-63.1-47.3178.7-69171.1000110.5L62 Q177 D178 S183 N184 Q185L62-I181 HydrophobicContact CD1-CG1 4.39Å; L62-I181 HydrophobicContact CD2-CG1 4.45Å; Q177-I181 HydrophobicContact CG-CD1 3.68Å; Q177-I181 HydrophobicContact CG-CG1 4.41Å; Q177-I181 WeakPolarHBondContact O-CG1 3.44Å; Q177-I181 PolarHBondContact O-N 3.2Å; D178-I181 PolarHBondContact O-N 3.38Å; I181-S183 PolarHBondContact O-N 2.65Å; I181-N184 PolarHBondContact O-N 3.26Å; I181-Q185 WeakPolarHBondContact O-CG 3.39Å; I181-Q185 PolarHBondContact O-N 3.18Å; I181-Q185 VanDerWaalsContact O-N 3.11Å
182Q90.9Very high84.4Confident95 Ų9564.6 Ų64.644%0.44436%0.358SS..Hα-helixtrans-61.3-43.9178.1-71.2171.923.600112.1D178 N184 Q185 N186D178-Q182 WeakPolarHBondContact O-CB 3.48Å; D178-Q182 VanDerWaalsContact O-CG 3.24Å; D178-Q182 WeakPolarHBondContact O-CG 3.27Å; D178-Q182 PolarHBondContact O-N 3.41Å; Q182-N184 VanDerWaalsContact C-N 3.29Å; Q182-N184 PolarHBondContact O-N 2.73Å; Q182-Q185 PolarHBondContact O-N 2.84Å; Q182-N186 PolarHBondContact O-N 2.97Å; Q182-N186 VanDerWaalsContact O-N 3.08Å
183S88.4Confident83.7Confident44 Ų4467.8 Ų67.831%0.30838%0.376SS..Hα-helixtrans-61.6-38177.6-176.10000112.3Q179 I180 I181 N187Q179-S183 WeakPolarHBondContact O-CB 3.15Å; Q179-S183 PolarHBondContact O-N 2.79Å; I180-S183 PolarHBondContact O-N 3.19Å; I181-S183 PolarHBondContact O-N 2.65Å; S183-N187 VanDerWaalsContact O-CG 3.29Å; S183-N187 PolarHBondContact O-N 3.02Å; S183-N187 PolarHBondContact O-ND2 2.84Å
184N82Confident82.9Confident29 Ų2971.3 Ų71.316%0.15540%0.395CS..Hα-helixtrans-66.7-43.6178.3-72.3-41.6000111.7K15 I180 I181 Q182 N186 N187 E188K15-N184 PolarHBondContact NZ-ND2 3.07Å; K15-N184 PolarHBondContact NZ-OD1 3.09Å; I180-N184 PolarHBondContact O-N 2.84Å; I180-N184 VanDerWaalsContact O-N 3.09Å; I180-N184 PolarHBondContact O-ND2 3.06Å; I181-N184 PolarHBondContact O-N 3.26Å; Q182-N184 VanDerWaalsContact C-N 3.29Å; Q182-N184 PolarHBondContact O-N 2.73Å; N184-N186 VanDerWaalsContact C-N 3.35Å; N184-N186 PolarHBondContact O-N 3.29Å; N184-N187 PolarHBondContact O-N 3.35Å; N184-E188 WeakPolarHBondContact O-CG 3.26Å; N184-E188 PolarHBondContact O-N 3.46Å; N184-E188 VanDerWaalsContact O-N 3.11Å
185Q80.9Confident82.1Confident105 Ų10571.9 Ų71.949%0.49140%0.399SS..Hα-helixtrans-62.1-41.5178.1-70.1172.9-7.500112.2I181 Q182 N187 E188 N189I181-Q185 WeakPolarHBondContact O-CG 3.39Å; I181-Q185 PolarHBondContact O-N 3.18Å; I181-Q185 VanDerWaalsContact O-N 3.11Å; Q182-Q185 PolarHBondContact O-N 2.84Å; Q185-N187 PolarHBondContact O-N 3.48Å; Q185-E188 PolarHBondContact O-N 3.35Å; Q185-N189 PolarHBondContact O-N 3.37Å; Q185-N189 VanDerWaalsContact O-N 3.13Å; Q185-N189 PolarHBondContact O-ND2 2.86Å
186N77.6Confident81.2Confident102 Ų10273.3 Ų73.355%0.54541%0.412SS..Hα-helixtrans-64.4-40.2178.1-71.5-18.9000112.4Q182 N184 N189 M190Q182-N186 PolarHBondContact O-N 2.97Å; Q182-N186 VanDerWaalsContact O-N 3.08Å; N184-N186 VanDerWaalsContact C-N 3.35Å; N184-N186 PolarHBondContact O-N 3.29Å; N186-N189 PolarHBondContact O-N 3.4Å; N186-M190 PolarHBondContact O-N 3.07Å
187N74.6Confident80.1Confident94 Ų9477.9 Ų77.950%0.50344%0.438SS..Hα-helixtrans-65.6-39177.4-70.7-21.4000111.9S183 N184 Q185 M190 S191S183-N187 VanDerWaalsContact O-CG 3.29Å; S183-N187 PolarHBondContact O-N 3.02Å; S183-N187 PolarHBondContact O-ND2 2.84Å; N184-N187 PolarHBondContact O-N 3.35Å; Q185-N187 PolarHBondContact O-N 3.48Å; N187-M190 PolarHBondContact O-N 3.1Å; N187-S191 PolarHBondContact O-N 3.11Å; N187-S191 PolarHBondContact O-OG 2.7Å
188E71.9Confident79Confident71 Ų7182.4 Ų82.433%0.33246%0.464SS..Hα-helixtrans-62.4-45175.9-73.8176.8-150.800111.7N184 Q185 M190 S191 A192N184-E188 WeakPolarHBondContact O-CG 3.26Å; N184-E188 PolarHBondContact O-N 3.46Å; N184-E188 VanDerWaalsContact O-N 3.11Å; Q185-E188 PolarHBondContact O-N 3.35Å; E188-M190 VanDerWaalsContact C-N 3.28Å; E188-M190 PolarHBondContact O-N 3.43Å; E188-S191 PolarHBondContact O-N 3.23Å; E188-S191 PolarHBondContact O-OG 3.49Å; E188-A192 PolarHBondContact O-N 3.01Å
189N65.6Low77.7Confident120 Ų12082.9 Ų82.964%0.64247%0.468SS*.Hα-helixtrans-66.1-27.3-179.5-69.8-25.8000113.8Q185 N186 S191Q185-N189 PolarHBondContact O-N 3.37Å; Q185-N189 VanDerWaalsContact O-N 3.13Å; Q185-N189 PolarHBondContact O-ND2 2.86Å; N186-N189 PolarHBondContact O-N 3.4Å; N189-S191 VanDerWaalsContact C-N 3.35Å
190M63.1Low76.2Confident164 Ų16485.8 Ų85.881%0.80849%0.488SS*.Hα-helixtrans-82.6-14.9177.9-124.4163.560.800113.3N186 N187 E188N186-M190 PolarHBondContact O-N 3.07Å; N187-M190 PolarHBondContact O-N 3.1Å; E188-M190 VanDerWaalsContact C-N 3.28Å; E188-M190 PolarHBondContact O-N 3.43Å
191S57.3Low74.7Confident100 Ų10092.4 Ų92.470%0.69953%0.526SS*.  trans-101.7-3.1-17866.60000114.1N187 E188 N189N187-S191 PolarHBondContact O-N 3.11Å; N187-S191 PolarHBondContact O-OG 2.7Å; E188-S191 PolarHBondContact O-N 3.23Å; E188-S191 PolarHBondContact O-OG 3.49Å; N189-S191 VanDerWaalsContact C-N 3.35Å
192A50.5Low73Confident138 Ų13896.5 Ų96.5100%1.14155%0.552SS**  trans-99.80176.400000110.7E188E188-A192 PolarHBondContact O-N 3.01Å

Retrieved 192 of 192 residues in 126.3 ms (Link to these results)

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