A0A087X7H3_POEFO Loading...

Nuclear receptor 2C2-associated protein

AlphaFold DB , UniProt , Accession A0A087X7H3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 141 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
1M64Low91.4Very high209 Ų20981.4 Ų81.4100%1.0345%0.454SS*.  0123.50-86.7-147.3-79.700105.8S3 E138M1-S3 PolarHBondContact O-N 2.84Å; M1-E138 PolarHBondContact N-OE1 2.97Å
2A81.9Confident91.9Very high58 Ų5876.8 Ų76.848%0.47943%0.432SS..  trans-60133.5178.800000110.1S60 G137A2-S60 WeakPolarHBondContact CB-OG 3.28Å; A2-G137 WeakPolarHBondContact CA-O 3.47Å
3S92.9Very high92.4Very high56 Ų5681.8 Ų81.839%0.39244%0.44SS..EExtended strand (participates in β ladder)trans-132.7164-177.764.20000109.6M1 L5 L136 G137M1-S3 PolarHBondContact O-N 2.84Å; S3-L5 PolarHBondContact O-N 2.53Å; S3-L136 CarbonylContact O-C 3.51Å; S3-L136 VanDerWaalsContact O-CA 3.32Å; S3-L136 WeakPolarHBondContact O-CA 3.46Å; S3-G137 PolarHBondContact N-O 2.98Å; S3-G137 PolarHBondContact O-N 3.34Å; S3-G137 PolarHBondContact OG-O 3.01Å
4Q95.4Very high92.8Very high110 Ų11077.7 Ų77.751%0.51442%0.419SS..EExtended strand (participates in β ladder)trans-60.2123.7173.7-178166.841.700110.8D134 L136Q4-D134 VanDerWaalsContact CG-OD1 3.26Å; Q4-D134 WeakPolarHBondContact CG-OD1 3.3Å; Q4-D134 VanDerWaalsContact NE2-CG 3.26Å; Q4-D134 PolarHBondContact NE2-OD1 3.17Å; Q4-D134 PolarHBondContact NE2-OD2 3.31Å; Q4-L136 HydrophobicContact CB-CD2 4.25Å
5L96.4Very high93.1Very high1 Ų175.1 Ų75.11%0.00541%0.41CS..  trans-89.4-29.2179.9-66.3-176.5000112.4S3 F53 V57 V59 I135 K139S3-L5 PolarHBondContact O-N 2.53Å; L5-F53 HydrophobicContact CB-CD1 4.26Å; L5-F53 HydrophobicContact CB-CE1 3.75Å; L5-F53 HydrophobicContact CB-CZ 4.34Å; L5-V57 HydrophobicContact CD1-CB 3.73Å; L5-V57 HydrophobicContact CD1-CG1 4.17Å; L5-V57 HydrophobicContact CD1-CG2 3.84Å; L5-V57 HydrophobicContact CD2-CB 4.11Å; L5-V57 HydrophobicContact CD2-CG1 3.84Å; L5-V57 HydrophobicContact CG-CB 4.47Å; L5-V57 HydrophobicContact CG-CG1 4.42Å; L5-V59 HydrophobicContact CD1-CG2 4.21Å; L5-I135 HydrophobicContact CB-CG2 4.45Å; L5-I135 WeakPolarHBondContact CB-O 3.32Å; L5-I135 HydrophobicContact CD1-CG2 4.02Å; L5-I135 PolarHBondContact N-O 3.43Å; L5-K139 HydrophobicContact CD2-CG 4.01Å
6I96Very high93.4Very high21 Ų2172.3 Ų72.311%0.10840%0.397CS..  trans-70.7133.9176.3-56.6-176.8000109.4T10 F31 L51 F53 I135I6-T10 HydrophobicContact CG2-CG2 4.32Å; I6-F31 HydrophobicContact CD1-CD1 3.91Å; I6-F31 HydrophobicContact CD1-CE1 3.67Å; I6-F31 HydrophobicContact CG2-CD1 4.23Å; I6-L51 HydrophobicContact CD1-CD1 3.83Å; I6-L51 HydrophobicContact CG1-CD1 4.26Å; I6-F53 HydrophobicContact CG1-CE1 4.45Å; I6-I135 HydrophobicContact CD1-CG1 4.1Å; I6-I135 HydrophobicContact CG1-CB 4.29Å; I6-I135 HydrophobicContact CG1-CG1 4.28Å
7C94.4Very high93.7Very high44 Ų4469.2 Ų69.230%0.29738%0.38SS..  trans-144.8179.4175.867.30000110.8E9 T10C7-E9 PolarHBondContact O-N 2.86Å; C7-E9 VanDerWaalsContact O-N 3.11Å; C7-T10 PolarHBondContact N-OG1 3.26Å; C7-T10 VanDerWaalsContact O-CB 3.26Å; C7-T10 WeakPolarHBondContact O-CB 3.31Å; C7-T10 PolarHBondContact O-N 2.98Å; C7-T10 PolarHBondContact O-OG1 2.71Å
8S93.9Very high93.9Very high127 Ų12766.8 Ų66.889%0.88837%0.367SS*.THydrogen-bonded Turntrans-59.8-22.318054.50000114.5
9E95.8Very high94.1Very high139 Ų13970 Ų7065%0.6538%0.384SS*.THydrogen-bonded Turntrans-90.7-10.5178.1-61.5178.5172.200112.7C7 Q11 P54C7-E9 PolarHBondContact O-N 2.86Å; C7-E9 VanDerWaalsContact O-N 3.11Å; E9-Q11 PolarHBondContact O-N 3.5Å; E9-P54 HydrophobicContact CB-CB 4.01Å; E9-P54 HydrophobicContact CB-CG 4.11Å
10T96.9Very high94.2Very high19 Ų1977.7 Ų77.712%0.11741%0.406CS..  trans-67.2119.7177.9-59.40000109.6I6 C7 L51 E52 F53I6-T10 HydrophobicContact CG2-CG2 4.32Å; C7-T10 PolarHBondContact N-OG1 3.26Å; C7-T10 VanDerWaalsContact O-CB 3.26Å; C7-T10 WeakPolarHBondContact O-CB 3.31Å; C7-T10 PolarHBondContact O-N 2.98Å; C7-T10 PolarHBondContact O-OG1 2.71Å; T10-L51 HydrophobicContact CG2-CB 4.29Å; T10-L51 HydrophobicContact CG2-CD2 4.43Å; T10-E52 WeakPolarHBondContact CA-O 3.49Å; T10-F53 HydrophobicContact CG2-CD1 4.21Å; T10-F53 HydrophobicContact CG2-CE1 4.44Å
11Q97.6Very high94.4Very high111 Ų11176 Ų7652%0.51940%0.398SS..EExtended strand (participates in β ladder)trans-82.3138.3173.9-59.8-170.99.500109.5E9 L51 E52E9-Q11 PolarHBondContact O-N 3.5Å; Q11-L51 CarbonylContact O-C 3.57Å; Q11-L51 WeakPolarHBondContact O-CA 3.21Å; Q11-E52 HydrophobicContact CB-CB 4.26Å; Q11-E52 PolarHBondContact N-O 2.84Å; Q11-E52 PolarHBondContact O-N 2.95Å
12S97.7Very high95.9Very high27 Ų2770 Ų7019%0.18937%0.373CS..EExtended strand (participates in β ladder)trans-122.8148.1176.357.20000111.1K27 L50S12-K27 WeakPolarHBondContact O-CE 3.22Å; S12-K27 WeakPolarHBondContact OG-CD 3.33Å; S12-K27 WeakPolarHBondContact OG-CE 3.06Å; S12-L50 CarbonylContact C-O 3.58Å; S12-L50 VanDerWaalsContact CA-O 3.28Å; S12-L50 WeakPolarHBondContact CA-O 3.26Å
13R98Very high96.6Very high141 Ų14175.9 Ų75.953%0.53239%0.388SS..EExtended strand (participates in β ladder)trans-137.8153.1168.7-59.3-176.3-170171.25.2108.8W48 V49 L50R13-W48 HydrophobicContact CB-CH2 4.12Å; R13-W48 HydrophobicContact CB-CZ3 3.87Å; R13-V49 WeakPolarHBondContact O-CA 3.44Å; R13-L50 HydrophobicContact CB-CB 4.3Å; R13-L50 PolarHBondContact N-O 3.17Å; R13-L50 PolarHBondContact O-N 2.86Å
14V98.5Very high96.8Very high25 Ų2578.9 Ų78.915%0.15240%0.396CS..EExtended strand (participates in β ladder)trans-132.4153.7177.3-66.50000109.1S16 V17 K27 M30 W39 W48 V49V14-S16 VanDerWaalsContact C-N 3.34Å; V14-S16 PolarHBondContact O-N 2.9Å; V14-V17 HydrophobicContact CG2-CG2 3.98Å; V14-K27 HydrophobicContact CB-CB 4.47Å; V14-K27 HydrophobicContact CG1-CB 3.53Å; V14-K27 HydrophobicContact CG1-CD 4.33Å; V14-K27 HydrophobicContact CG2-CB 4.08Å; V14-K27 HydrophobicContact CG2-CD 4.37Å; V14-M30 HydrophobicContact CG1-CE 3.87Å; V14-W39 HydrophobicContact CB-CZ2 3.76Å; V14-W39 HydrophobicContact CG1-CD2 4.12Å; V14-W39 HydrophobicContact CG1-CG 4.46Å; V14-W39 HydrophobicContact CG1-CZ2 4.03Å; V14-W48 WeakPolarHBondContact CA-O 3.29Å; V14-V49 HydrophobicContact CG1-CG1 4.33Å; V14-V49 HydrophobicContact CG1-CG2 4.14Å
15S97.7Very high96.9Very high39 Ų3976.1 Ų76.127%0.27338%0.382SS..SBendtrans-57.1-45177.646.20000113.1Q47 W48S15-Q47 WeakPolarHBondContact OG-CA 3.22Å; S15-Q47 PolarHBondContact OG-OE1 2.94Å; S15-W48 PolarHBondContact N-O 2.91Å; S15-W48 PolarHBondContact OG-N 2.98Å
16S97.6Very high97Very high29 Ų2976.1 Ų76.120%0.20338%0.382CS..  trans-158.7168.7-173.668.30000111.2V14 W39 S41 D42 Q47V14-S16 VanDerWaalsContact C-N 3.34Å; V14-S16 PolarHBondContact O-N 2.9Å; S16-W39 PolarHBondContact O-NE1 3.28Å; S16-S41 WeakPolarHBondContact OG-CB 3.25Å; S16-D42 PolarHBondContact OG-N 2.93Å; S16-Q47 PolarHBondContact OG-OE1 3.02Å
17V98.1Very high97Very high20 Ų2078.5 Ų78.512%0.12139%0.392CS..  trans-138.5132.2171.8175.90000107.3V14 N19 R20 V22 F25 N40V14-V17 HydrophobicContact CG2-CG2 3.98Å; V17-N19 PolarHBondContact O-N 2.85Å; V17-R20 WeakPolarHBondContact O-CA 3.4Å; V17-R20 PolarHBondContact O-N 2.87Å; V17-V22 HydrophobicContact CG1-CG2 4.5Å; V17-V22 HydrophobicContact CG2-CG2 4.5Å; V17-F25 HydrophobicContact CG1-CB 3.93Å; V17-F25 WeakPolarHBondContact CG1-O 3.15Å; V17-N40 CarbonylContact C-O 3.5Å; V17-N40 WeakPolarHBondContact CA-O 3.08Å
18L98Very high97.2Very high27 Ų2782.4 Ų82.414%0.14140%0.404CS..G310 helixtrans-49.9123.9-179.2-178.666000111R20 D21 F25 N40L18-R20 PolarHBondContact O-N 2.82Å; L18-D21 PolarHBondContact O-N 3.23Å; L18-F25 HydrophobicContact CB-CD2 4.07Å; L18-F25 HydrophobicContact CB-CG 4.42Å; L18-F25 HydrophobicContact CD2-CD2 4.1Å; L18-F25 HydrophobicContact CD2-CE2 3.96Å; L18-F25 HydrophobicContact CD2-CZ 4.38Å; L18-F25 HydrophobicContact CG-CD2 4.42Å; L18-N40 HydrophobicContact CB-CB 4.15Å; L18-N40 PolarHBondContact N-O 3.45Å
19N96.9Very high97.3Very high127 Ų12777.2 Ų77.268%0.67937%0.365SS*.G310 helixtrans53.518.2-178-63.2-39.5000114.9V17 D21V17-N19 PolarHBondContact O-N 2.85Å; N19-D21 PolarHBondContact O-N 2.88Å; N19-D21 VanDerWaalsContact O-N 3.17Å
20R96.8Very high97.4Very high223 Ų22370.7 Ų70.784%0.84234%0.335SS*.G310 helixtrans57.220-170.4-49.9177.1-177.2-170.1-0.8113.5V17 L18 V22V17-R20 WeakPolarHBondContact O-CA 3.4Å; V17-R20 PolarHBondContact O-N 2.87Å; L18-R20 PolarHBondContact O-N 2.82Å; R20-V22 VanDerWaalsContact C-N 3.32Å; R20-V22 PolarHBondContact O-N 2.92Å
21D97.4Very high97.4Very high43 Ų4372.7 Ų72.723%0.2334%0.342CS..  trans-82.478-179.8-167.9-14.7000111.1L18 N19 K23 Q24 F25L18-D21 PolarHBondContact O-N 3.23Å; N19-D21 PolarHBondContact O-N 2.88Å; N19-D21 VanDerWaalsContact O-N 3.17Å; D21-K23 PolarHBondContact O-N 2.99Å; D21-K23 WeakPolarHBondContact OD1-CB 3.42Å; D21-K23 PolarHBondContact OD1-N 3.47Å; D21-K23 VanDerWaalsContact OD1-N 3.08Å; D21-Q24 PolarHBondContact O-N 2.82Å; D21-Q24 PolarHBondContact OD1-N 2.83Å; D21-Q24 VanDerWaalsContact OD1-N 3.13Å; D21-Q24 PolarHBondContact OD2-NE2 3.11Å; D21-F25 HydrophobicContact CB-CD2 4.2Å; D21-F25 PolarHBondContact O-N 3.37Å
22V96.5Very high97.3Very high83 Ų8370.6 Ų70.650%0.50333%0.334SS..Hα-helixtrans-64.8-19178-174.90000112.1V17 R20 G26V17-V22 HydrophobicContact CG1-CG2 4.5Å; V17-V22 HydrophobicContact CG2-CG2 4.5Å; R20-V22 VanDerWaalsContact C-N 3.32Å; R20-V22 PolarHBondContact O-N 2.92Å; V22-G26 WeakPolarHBondContact O-CA 3.38Å; V22-G26 PolarHBondContact O-N 3.34Å
23K96.8Very high97.1Very high181 Ų18175.5 Ų75.579%0.78737%0.367SS*.Hα-helixtrans-75.5-32.4179.7-67.2-177.3179.4178.80111.8D21 F29D21-K23 PolarHBondContact O-N 2.99Å; D21-K23 WeakPolarHBondContact OD1-CB 3.42Å; D21-K23 PolarHBondContact OD1-N 3.47Å; D21-K23 VanDerWaalsContact OD1-N 3.08Å; K23-F29 WeakPolarHBondContact O-CE2 3.36Å; K23-F29 WeakPolarHBondContact O-CZ 3.33Å
24Q96.4Very high96.9Very high120 Ų12071.9 Ų71.956%0.56136%0.358SS*.Hα-helixtrans-104.4-31.2-178.9-65-171.873.400113.6D21 F29D21-Q24 PolarHBondContact O-N 2.82Å; D21-Q24 PolarHBondContact OD1-N 2.83Å; D21-Q24 VanDerWaalsContact OD1-N 3.13Å; D21-Q24 PolarHBondContact OD2-NE2 3.11Å; Q24-F29 WeakPolarHBondContact O-CD2 3.48Å; Q24-F29 VanDerWaalsContact O-CE2 3.23Å; Q24-F29 WeakPolarHBondContact O-CE2 3.26Å
25F98Very high96.6Very high51 Ų5178.3 Ų78.322%0.22439%0.387CS..Hα-helixtrans-128.120.3-171-57.1-57.7000113.9V17 L18 D21 C38 W39 N40V17-F25 HydrophobicContact CG1-CB 3.93Å; V17-F25 WeakPolarHBondContact CG1-O 3.15Å; L18-F25 HydrophobicContact CB-CD2 4.07Å; L18-F25 HydrophobicContact CB-CG 4.42Å; L18-F25 HydrophobicContact CD2-CD2 4.1Å; L18-F25 HydrophobicContact CD2-CE2 3.96Å; L18-F25 HydrophobicContact CD2-CZ 4.38Å; L18-F25 HydrophobicContact CG-CD2 4.42Å; D21-F25 HydrophobicContact CB-CD2 4.2Å; D21-F25 PolarHBondContact O-N 3.37Å; F25-C38 CarbonylContact C-O 3.47Å; F25-C38 WeakPolarHBondContact CA-O 3.21Å; F25-W39 WeakPolarHBondContact O-CA 3.45Å; F25-W39 VanDerWaalsContact O-CD1 3.31Å; F25-N40 HydrophobicContact CB-CB 3.79Å; F25-N40 HydrophobicContact CD1-CB 3.7Å; F25-N40 HydrophobicContact CG-CB 3.82Å; F25-N40 PolarHBondContact O-N 2.96Å
26G97.6Very high96.5Very high1 Ų184.8 Ų84.81%0.0141%0.413CS..  trans-71.2150.4-175.900000113.9V22 K28 F29V22-G26 WeakPolarHBondContact O-CA 3.38Å; V22-G26 PolarHBondContact O-N 3.34Å; G26-K28 PolarHBondContact O-N 3.27Å; G26-F29 WeakPolarHBondContact O-CB 3.27Å; G26-F29 WeakPolarHBondContact O-CD2 3.42Å; G26-F29 PolarHBondContact O-N 2.82Å
27K97.3Very high96.5Very high72 Ų7284.8 Ų84.831%0.31341%0.411SS..G310 helixtrans-48.6-26.7177.365.8-177.7-178.6-81.50116.5S12 V14 F29 M30 F31S12-K27 WeakPolarHBondContact O-CE 3.22Å; S12-K27 WeakPolarHBondContact OG-CD 3.33Å; S12-K27 WeakPolarHBondContact OG-CE 3.06Å; V14-K27 HydrophobicContact CB-CB 4.47Å; V14-K27 HydrophobicContact CG1-CB 3.53Å; V14-K27 HydrophobicContact CG1-CD 4.33Å; V14-K27 HydrophobicContact CG2-CB 4.08Å; V14-K27 HydrophobicContact CG2-CD 4.37Å; K27-F29 PolarHBondContact O-N 2.81Å; K27-M30 HydrophobicContact CB-CE 3.83Å; K27-M30 WeakPolarHBondContact O-CE 3.26Å; K27-M30 PolarHBondContact O-N 2.85Å; K27-F31 WeakPolarHBondContact O-CD2 3.18Å; K27-F31 VanDerWaalsContact O-CE2 3.26Å; K27-F31 WeakPolarHBondContact O-CE2 3.35Å
28K96.8Very high96.5Very high125 Ų12584.3 Ų84.354%0.54341%0.409SS..G310 helixtrans-60-28.5179.866173.1-174.7164.80112.3G26 M30 F31G26-K28 PolarHBondContact O-N 3.27Å; K28-M30 PolarHBondContact O-N 3.38Å; K28-F31 PolarHBondContact O-N 2.81Å; K28-F31 VanDerWaalsContact O-N 3.12Å
29F97.9Very high96.5Very high19 Ų1983 Ų838%0.08340%0.402CS..G310 helixtrans-71.5-14-178-62.8-49.5000113K23 Q24 G26 K27 F31 D32 T37 C38 Y131K23-F29 WeakPolarHBondContact O-CE2 3.36Å; K23-F29 WeakPolarHBondContact O-CZ 3.33Å; Q24-F29 WeakPolarHBondContact O-CD2 3.48Å; Q24-F29 VanDerWaalsContact O-CE2 3.23Å; Q24-F29 WeakPolarHBondContact O-CE2 3.26Å; G26-F29 WeakPolarHBondContact O-CB 3.27Å; G26-F29 WeakPolarHBondContact O-CD2 3.42Å; G26-F29 PolarHBondContact O-N 2.82Å; K27-F29 PolarHBondContact O-N 2.81Å; F29-F31 PolarHBondContact O-N 2.8Å; F29-D32 WeakPolarHBondContact CD1-OD2 3.28Å; F29-D32 VanDerWaalsContact O-OD1 3.07Å; F29-T37 HydrophobicContact CD1-CG2 3.93Å; F29-T37 HydrophobicContact CE1-CG2 4Å; F29-T37 HydrophobicContact CG-CG2 4.47Å; F29-C38 WeakPolarHBondContact CD2-O 3.5Å; F29-Y131 VanDerWaalsContact O-O 3.11Å
30M97.8Very high96.6Very high2 Ų277.8 Ų77.81%0.0137%0.374CS..G310 helixtrans-72.2-12.2170.3-63.8-175.3-7500113.1V14 K27 K28 W39 V49 V130 S132 L133V14-M30 HydrophobicContact CG1-CE 3.87Å; K27-M30 HydrophobicContact CB-CE 3.83Å; K27-M30 WeakPolarHBondContact O-CE 3.26Å; K27-M30 PolarHBondContact O-N 2.85Å; K28-M30 PolarHBondContact O-N 3.38Å; M30-W39 HydrophobicContact CE-CB 4.1Å; M30-W39 HydrophobicContact CE-CD2 4.21Å; M30-W39 HydrophobicContact CE-CE3 4.22Å; M30-W39 HydrophobicContact CE-CG 4.17Å; M30-W39 HydrophobicContact CG-CB 3.51Å; M30-W39 HydrophobicContact CG-CG 4.48Å; M30-W39 HydrophobicContact SD-CB 3.83Å; M30-W39 HydrophobicContact SD-CD2 4.09Å; M30-W39 HydrophobicContact SD-CE3 3.63Å; M30-W39 HydrophobicContact SD-CG 4.21Å; M30-V49 HydrophobicContact CE-CG1 3.94Å; M30-V49 HydrophobicContact CE-CG2 3.89Å; M30-V49 HydrophobicContact SD-CG2 4.02Å; M30-V130 HydrophobicContact CG-CB 4.04Å; M30-V130 HydrophobicContact CG-CG1 3.88Å; M30-V130 HydrophobicContact SD-CB 3.87Å; M30-V130 HydrophobicContact SD-CG1 3.82Å; M30-V130 HydrophobicContact SD-CG2 4.49Å; M30-S132 WeakPolarHBondContact O-CA 3.33Å; M30-L133 HydrophobicContact CB-CB 4.02Å; M30-L133 PolarHBondContact O-N 2.93Å; M30-L133 HydrophobicContact SD-CB 4.28Å; M30-L133 HydrophobicContact SD-CD2 4.26Å
31F96.8Very high96.7Very high60 Ų6067.2 Ų67.226%0.26333%0.334SS..SBendtrans-126.22.6-169-43.8-63000113.5I6 K27 K28 F29 L51 L133I6-F31 HydrophobicContact CD1-CD1 3.91Å; I6-F31 HydrophobicContact CD1-CE1 3.67Å; I6-F31 HydrophobicContact CG2-CD1 4.23Å; K27-F31 WeakPolarHBondContact O-CD2 3.18Å; K27-F31 VanDerWaalsContact O-CE2 3.26Å; K27-F31 WeakPolarHBondContact O-CE2 3.35Å; K28-F31 PolarHBondContact O-N 2.81Å; K28-F31 VanDerWaalsContact O-N 3.12Å; F29-F31 PolarHBondContact O-N 2.8Å; F31-L51 HydrophobicContact CE1-CD2 4.29Å; F31-L51 HydrophobicContact CZ-CD2 3.79Å; F31-L133 WeakPolarHBondContact CD1-O 3.26Å; F31-L133 HydrophobicContact CE1-CB 4.08Å; F31-L133 HydrophobicContact CE1-CD2 4.01Å; F31-L133 HydrophobicContact CE1-CG 4.1Å; F31-L133 HydrophobicContact CZ-CD2 4.31Å
32D95.6Very high96.7Very high68 Ų6867.5 Ų67.536%0.36434%0.336SS..SBendtrans-943.4-173.173.6-13.6000114F29 N34 T37F29-D32 WeakPolarHBondContact CD1-OD2 3.28Å; F29-D32 VanDerWaalsContact O-OD1 3.07Å; D32-N34 PolarHBondContact O-N 2.88Å; D32-N34 WeakPolarHBondContact OD1-CB 3.49Å; D32-N34 PolarHBondContact OD1-N 2.82Å; D32-N34 VanDerWaalsContact OD1-N 3.08Å; D32-T37 PolarHBondContact OD1-OG1 3.42Å; D32-T37 PolarHBondContact OD2-OG1 2.74Å
33C92.8Very high96.6Very high130 Ų13069.6 Ų69.688%0.87834%0.34SS*.  trans56.726.5-178.8-56.50000113.5
34N94.6Very high96.3Very high65 Ų6562.4 Ų62.435%0.34832%0.317SS..  trans-107.7116177-178.11.6000110.8D32 E36 T37D32-N34 PolarHBondContact O-N 2.88Å; D32-N34 WeakPolarHBondContact OD1-CB 3.49Å; D32-N34 PolarHBondContact OD1-N 2.82Å; D32-N34 VanDerWaalsContact OD1-N 3.08Å; N34-E36 PolarHBondContact O-N 2.88Å; N34-E36 WeakPolarHBondContact OD1-CB 3.24Å; N34-E36 PolarHBondContact OD1-N 2.78Å; N34-T37 WeakPolarHBondContact CB-OG1 3.19Å; N34-T37 PolarHBondContact O-N 2.82Å; N34-T37 PolarHBondContact O-OG1 2.78Å
35E92.3Very high95.9Very high160 Ų16063.5 Ų63.575%0.74833%0.327SS*.THydrogen-bonded Turntrans-68.3-13-178.4-59.9-176.8173.500113.5Y131E35-Y131 VanDerWaalsContact O-CD1 3.3Å; E35-Y131 WeakPolarHBondContact O-CD1 3.44Å; E35-Y131 WeakPolarHBondContact O-CE1 3.32Å
36E94.4Very high95.5Very high175 Ų17569.5 Ų69.582%0.81835%0.348SS*.THydrogen-bonded Turntrans-92.7-11.5179.7-59.4-172.9165.400113.5N34N34-E36 PolarHBondContact O-N 2.88Å; N34-E36 WeakPolarHBondContact OD1-CB 3.24Å; N34-E36 PolarHBondContact OD1-N 2.78Å
37T97.6Very high95.4Very high28 Ų2869.9 Ų69.917%0.17235%0.35CS..  trans-115.6146.9-177.553.80000111.5F29 D32 N34 Y131F29-T37 HydrophobicContact CD1-CG2 3.93Å; F29-T37 HydrophobicContact CE1-CG2 4Å; F29-T37 HydrophobicContact CG-CG2 4.47Å; D32-T37 PolarHBondContact OD1-OG1 3.42Å; D32-T37 PolarHBondContact OD2-OG1 2.74Å; N34-T37 WeakPolarHBondContact CB-OG1 3.19Å; N34-T37 PolarHBondContact O-N 2.82Å; N34-T37 PolarHBondContact O-OG1 2.78Å; T37-Y131 VanDerWaalsContact O-CD1 3.31Å; T37-Y131 WeakPolarHBondContact O-CD1 3.39Å
38C98.3Very high95.5Very high10 Ų1069.7 Ų69.77%0.06835%0.347CS..  trans-144.9159.1-176.963.10000112.4F25 F29 V129 V130 Y131F25-C38 CarbonylContact C-O 3.47Å; F25-C38 WeakPolarHBondContact CA-O 3.21Å; F29-C38 WeakPolarHBondContact CD2-O 3.5Å; C38-V129 HydrophobicContact CB-CG1 3.84Å; C38-V130 WeakPolarHBondContact CA-O 3.3Å; C38-V130 WeakPolarHBondContact CB-O 3.47Å; C38-Y131 HydrophobicContact CB-CD1 3.72Å; C38-Y131 HydrophobicContact CB-CE1 3.78Å; C38-Y131 HydrophobicContact CB-CG 4.14Å
39W98.6Very high95.6Very high0 Ų063.8 Ų63.80%032%0.321CS..EExtended strand (participates in β ladder)trans-81.5129.9154.5171.957000109V14 S16 F25 M30 Q47 V49 F118 I128 V129 V130V14-W39 HydrophobicContact CB-CZ2 3.76Å; V14-W39 HydrophobicContact CG1-CD2 4.12Å; V14-W39 HydrophobicContact CG1-CG 4.46Å; V14-W39 HydrophobicContact CG1-CZ2 4.03Å; S16-W39 PolarHBondContact O-NE1 3.28Å; F25-W39 WeakPolarHBondContact O-CA 3.45Å; F25-W39 VanDerWaalsContact O-CD1 3.31Å; M30-W39 HydrophobicContact CE-CB 4.1Å; M30-W39 HydrophobicContact CE-CD2 4.21Å; M30-W39 HydrophobicContact CE-CE3 4.22Å; M30-W39 HydrophobicContact CE-CG 4.17Å; M30-W39 HydrophobicContact CG-CB 3.51Å; M30-W39 HydrophobicContact CG-CG 4.48Å; M30-W39 HydrophobicContact SD-CB 3.83Å; M30-W39 HydrophobicContact SD-CD2 4.09Å; M30-W39 HydrophobicContact SD-CE3 3.63Å; M30-W39 HydrophobicContact SD-CG 4.21Å; W39-Q47 HydrophobicContact CH2-CB 4.29Å; W39-V49 HydrophobicContact CE3-CG2 4.13Å; W39-V49 HydrophobicContact CH2-CG2 4.11Å; W39-V49 HydrophobicContact CZ3-CG2 3.73Å; W39-F118 HydrophobicContact CH2-CD2 4.22Å; W39-F118 AromaticContact CH2-CE2 3.76Å; W39-F118 HydrophobicContact CH2-CE2 3.76Å; W39-F118 HydrophobicContact CZ3-CD2 4.26Å; W39-F118 AromaticContact CZ3-CE2 3.49Å; W39-F118 HydrophobicContact CZ3-CE2 3.49Å; W39-F118 VanDerWaalsContact CZ3-CE2 3.49Å; W39-F118 HydrophobicContact CZ3-CZ 4.2Å; W39-I128 HydrophobicContact CH2-CG2 4.47Å; W39-I128 HydrophobicContact CZ3-CB 4.43Å; W39-I128 HydrophobicContact CZ3-CG2 3.9Å; W39-V129 WeakPolarHBondContact O-CA 3.2Å; W39-V130 HydrophobicContact CE3-CB 4.08Å; W39-V130 HydrophobicContact CE3-CG2 3.87Å; W39-V130 HydrophobicContact CZ3-CG2 4.04Å; W39-V130 PolarHBondContact N-O 3.21Å; W39-V130 PolarHBondContact O-N 2.74Å
40N98.5Very high95.6Very high18 Ų1864 Ų6410%0.09632%0.323CS..EExtended strand (participates in β ladder)trans-123118174.1-168.2-26.7000108V17 L18 F25 V129V17-N40 CarbonylContact C-O 3.5Å; V17-N40 WeakPolarHBondContact CA-O 3.08Å; L18-N40 HydrophobicContact CB-CB 4.15Å; L18-N40 PolarHBondContact N-O 3.45Å; F25-N40 HydrophobicContact CB-CB 3.79Å; F25-N40 HydrophobicContact CD1-CB 3.7Å; F25-N40 HydrophobicContact CG-CB 3.82Å; F25-N40 PolarHBondContact O-N 2.96Å; N40-V129 HydrophobicContact CB-CG2 4.28Å
41S98.3Very high95.6Very high0 Ų064 Ų640%032%0.323CS..PPolyproline II helixtrans-71.2156.917684.40000110.7S16 Q47 R127 I128S16-S41 WeakPolarHBondContact OG-CB 3.25Å; S41-Q47 WeakPolarHBondContact OG-CG 3.16Å; S41-R127 WeakPolarHBondContact OG-CA 3.49Å; S41-I128 PolarHBondContact N-O 2.88Å; S41-I128 PolarHBondContact OG-N 3.1Å
42D97.1Very high95.7Very high50 Ų5064 Ų6427%0.26732%0.324SS..PPolyproline II helixtrans-71.7172163.1-149.2-18.6000110S16 Q47S16-D42 PolarHBondContact OG-N 2.93Å; D42-Q47 PolarHBondContact O-NE2 3.21Å; D42-Q47 VanDerWaalsContact O-NE2 3.08Å
43Q95.3Very high95.7Very high127 Ų12761.2 Ų61.259%0.59331%0.309SS*.SBendtrans-60.9148.317263.9-178.61.700111.5F125 R127Q43-F125 WeakPolarHBondContact CA-O 3.31Å; Q43-F125 HydrophobicContact CB-CB 4.02Å; Q43-F125 WeakPolarHBondContact CB-O 3.36Å; Q43-R127 HydrophobicContact CB-CG 4.38Å
44G91.3Very high95.9Very high29 Ų2958.1 Ų58.130%0.29929%0.287SS..SBendtrans137.2164.6175.700000113.3Q47 F125 G126G44-Q47 PolarHBondContact O-NE2 3.17Å; G44-F125 PolarHBondContact N-O 3.25Å; G44-G126 CarbonylContact O-C 3.59Å; G44-G126 VanDerWaalsContact O-O 3.08Å
45D87.3Confident95.9Very high143 Ų14358.9 Ų58.977%0.76529%0.289SS*.SBendtrans-83.2150.9-176.5-59.9-33.6000111.9
46R88.8Confident96.1Very high178 Ų17852.5 Ų52.567%0.67226%0.261SS*.SBendtrans57.154.3170.1-57.2178.8179-179.2-1.5113.7F118R46-F118 WeakPolarHBondContact CA-O 3.46Å
47Q97.1Very high96.2Very high9 Ų944.2 Ų44.24%0.04222%0.223CC..EExtended strand (participates in β ladder)trans-61.4154.4170.8-55-63.8-22.400110.1S15 S16 W39 S41 D42 G44 F118 I128S15-Q47 WeakPolarHBondContact OG-CA 3.22Å; S15-Q47 PolarHBondContact OG-OE1 2.94Å; S16-Q47 PolarHBondContact OG-OE1 3.02Å; W39-Q47 HydrophobicContact CH2-CB 4.29Å; S41-Q47 WeakPolarHBondContact OG-CG 3.16Å; D42-Q47 PolarHBondContact O-NE2 3.21Å; D42-Q47 VanDerWaalsContact O-NE2 3.08Å; G44-Q47 PolarHBondContact O-NE2 3.17Å; Q47-F118 HydrophobicContact CB-CD2 3.98Å; Q47-F118 WeakPolarHBondContact O-CB 3.26Å; Q47-F118 VanDerWaalsContact O-CD2 3.28Å; Q47-F118 WeakPolarHBondContact O-CD2 3.46Å; Q47-F118 PolarHBondContact O-N 2.81Å; Q47-I128 HydrophobicContact CB-CB 4.38Å; Q47-I128 HydrophobicContact CB-CG1 3.96Å; Q47-I128 HydrophobicContact CG-CG1 4.06Å
48W98.4Very high96.1Very high67 Ų6747.6 Ų47.625%0.25424%0.235SC..EExtended strand (participates in β ladder)trans-151.3154.4-177.956.6-98.3000113R13 V14 S15 L50 K115 I116 L117R13-W48 HydrophobicContact CB-CH2 4.12Å; R13-W48 HydrophobicContact CB-CZ3 3.87Å; V14-W48 WeakPolarHBondContact CA-O 3.29Å; S15-W48 PolarHBondContact N-O 2.91Å; S15-W48 PolarHBondContact OG-N 2.98Å; W48-L50 HydrophobicContact CE3-CB 3.88Å; W48-L50 HydrophobicContact CZ3-CB 3.59Å; W48-K115 HydrophobicContact CB-CG 4.45Å; W48-I116 CarbonylContact C-O 3.58Å; W48-I116 WeakPolarHBondContact CA-O 3.46Å; W48-I116 VanDerWaalsContact CB-O 3.24Å; W48-I116 WeakPolarHBondContact CB-O 3.47Å; W48-L117 HydrophobicContact CB-CD2 4.43Å; W48-L117 HydrophobicContact CB-CG 4.44Å
49V98.6Very high96Very high1 Ų147.4 Ų47.41%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-117133165.8-174.40000108.5R13 V14 M30 W39 L51 K115 I116 F118 L133R13-V49 WeakPolarHBondContact O-CA 3.44Å; V14-V49 HydrophobicContact CG1-CG1 4.33Å; V14-V49 HydrophobicContact CG1-CG2 4.14Å; M30-V49 HydrophobicContact CE-CG1 3.94Å; M30-V49 HydrophobicContact CE-CG2 3.89Å; M30-V49 HydrophobicContact SD-CG2 4.02Å; W39-V49 HydrophobicContact CE3-CG2 4.13Å; W39-V49 HydrophobicContact CH2-CG2 4.11Å; W39-V49 HydrophobicContact CZ3-CG2 3.73Å; V49-L51 HydrophobicContact CG1-CD2 4.15Å; V49-L51 HydrophobicContact CG1-CG 4.35Å; V49-K115 CarbonylContact O-C 3.58Å; V49-K115 VanDerWaalsContact O-CA 3.32Å; V49-K115 WeakPolarHBondContact O-CA 3.48Å; V49-I116 PolarHBondContact N-O 3.08Å; V49-I116 PolarHBondContact O-N 3.2Å; V49-F118 HydrophobicContact CG2-CE2 3.79Å; V49-F118 HydrophobicContact CG2-CZ 3.94Å; V49-L133 HydrophobicContact CB-CD2 4.31Å; V49-L133 HydrophobicContact CG1-CD2 3.82Å; V49-L133 HydrophobicContact CG2-CD2 4.44Å
50L98.3Very high96Very high24 Ų2449.4 Ų49.413%0.12625%0.248CC..EExtended strand (participates in β ladder)trans-115.4132.2173174.669.8000108.4S12 R13 W48 F86 K113 V114 K115S12-L50 CarbonylContact C-O 3.58Å; S12-L50 VanDerWaalsContact CA-O 3.28Å; S12-L50 WeakPolarHBondContact CA-O 3.26Å; R13-L50 HydrophobicContact CB-CB 4.3Å; R13-L50 PolarHBondContact N-O 3.17Å; R13-L50 PolarHBondContact O-N 2.86Å; W48-L50 HydrophobicContact CE3-CB 3.88Å; W48-L50 HydrophobicContact CZ3-CB 3.59Å; L50-F86 HydrophobicContact CD1-CE1 3.93Å; L50-F86 HydrophobicContact CD1-CE2 4.46Å; L50-F86 HydrophobicContact CD1-CZ 3.47Å; L50-F86 VanDerWaalsContact CD1-CZ 3.47Å; L50-K113 HydrophobicContact CD1-CB 4.33Å; L50-V114 CarbonylContact C-O 3.5Å; L50-V114 WeakPolarHBondContact CA-O 3.42Å; L50-V114 WeakPolarHBondContact CD1-O 3.44Å; L50-K115 HydrophobicContact CD1-CB 3.98Å; L50-K115 HydrophobicContact CD1-CG 4.45Å
51L98.2Very high95.9Very high2 Ų250.5 Ų50.51%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-121136.2174.1-55.7172.3000109I6 T10 Q11 F31 V49 F53 K113 V114 L133 I135I6-L51 HydrophobicContact CD1-CD1 3.83Å; I6-L51 HydrophobicContact CG1-CD1 4.26Å; T10-L51 HydrophobicContact CG2-CB 4.29Å; T10-L51 HydrophobicContact CG2-CD2 4.43Å; Q11-L51 CarbonylContact O-C 3.57Å; Q11-L51 WeakPolarHBondContact O-CA 3.21Å; F31-L51 HydrophobicContact CE1-CD2 4.29Å; F31-L51 HydrophobicContact CZ-CD2 3.79Å; V49-L51 HydrophobicContact CG1-CD2 4.15Å; V49-L51 HydrophobicContact CG1-CG 4.35Å; L51-F53 HydrophobicContact CB-CZ 4.44Å; L51-K113 CarbonylContact O-C 3.52Å; L51-K113 WeakPolarHBondContact O-CA 3.41Å; L51-V114 HydrophobicContact CB-CG2 3.82Å; L51-V114 HydrophobicContact CD1-CG2 4.15Å; L51-V114 HydrophobicContact CG-CG2 4.39Å; L51-V114 PolarHBondContact N-O 2.88Å; L51-V114 PolarHBondContact O-N 3.37Å; L51-L133 HydrophobicContact CD1-CD2 4.26Å; L51-I135 HydrophobicContact CD1-CD1 4.41Å; L51-I135 HydrophobicContact CD1-CG1 3.71Å
52E97.8Very high95.9Very high59 Ų5950.5 Ų50.528%0.27625%0.252SS..EExtended strand (participates in β ladder)trans-121.6117.1174.8172.4166.5-164.600108.1T10 Q11 K113T10-E52 WeakPolarHBondContact CA-O 3.49Å; Q11-E52 HydrophobicContact CB-CB 4.26Å; Q11-E52 PolarHBondContact N-O 2.84Å; Q11-E52 PolarHBondContact O-N 2.95Å; E52-K113 HydrophobicContact CB-CD 4.49Å; E52-K113 HydrophobicContact CB-CG 4.04Å; E52-K113 HydrophobicContact CG-CD 4.38Å; E52-K113 HydrophobicContact CG-CG 3.99Å; E52-K113 VanDerWaalsContact OE1-CE 3.3Å; E52-K113 WeakPolarHBondContact OE1-CE 3.5Å; E52-K113 IonicContact OE1-NZ 2.89Å
53F97.1Very high96Very high11 Ų1150.8 Ų50.85%0.04825%0.251CS..EExtended strand (participates in β ladder)trans-85.2148.3-175.8-59-74.3000110.3L5 I6 T10 L51 Q55 V57 D112 V114 I135L5-F53 HydrophobicContact CB-CD1 4.26Å; L5-F53 HydrophobicContact CB-CE1 3.75Å; L5-F53 HydrophobicContact CB-CZ 4.34Å; I6-F53 HydrophobicContact CG1-CE1 4.45Å; T10-F53 HydrophobicContact CG2-CD1 4.21Å; T10-F53 HydrophobicContact CG2-CE1 4.44Å; L51-F53 HydrophobicContact CB-CZ 4.44Å; F53-Q55 VanDerWaalsContact CB-O 3.27Å; F53-Q55 WeakPolarHBondContact CB-O 3.46Å; F53-Q55 PolarHBondContact O-N 2.89Å; F53-V57 HydrophobicContact CB-CG1 4.2Å; F53-V57 HydrophobicContact CD1-CG1 4.47Å; F53-V57 HydrophobicContact CD2-CG1 4.43Å; F53-V57 HydrophobicContact CD2-CG2 3.44Å; F53-V57 VanDerWaalsContact CD2-CG2 3.44Å; F53-V57 HydrophobicContact CE2-CG2 3.58Å; F53-V57 HydrophobicContact CG-CG1 4.13Å; F53-V57 HydrophobicContact CG-CG2 3.98Å; F53-V57 HydrophobicContact CZ-CG2 4.25Å; F53-D112 WeakPolarHBondContact CD2-O 3.34Å; F53-D112 PolarHBondContact N-O 3.39Å; F53-V114 HydrophobicContact CE2-CB 4.3Å; F53-V114 HydrophobicContact CE2-CG1 3.92Å; F53-V114 HydrophobicContact CE2-CG2 3.55Å; F53-V114 HydrophobicContact CZ-CG2 3.69Å; F53-I135 HydrophobicContact CZ-CB 4.47Å; F53-I135 HydrophobicContact CZ-CG2 4.25Å
54P95.6Very high96.1Very high65 Ų6544.7 Ų44.742%0.42222%0.223SC..EExtended strand (participates in β ladder)trans-66.8-15.8178.428.4-36.6000113.2E9E9-P54 HydrophobicContact CB-CB 4.01Å; E9-P54 HydrophobicContact CB-CG 4.11Å
55Q94.8Very high96.4Very high81 Ų8145.2 Ų45.238%0.37922%0.217SC..EExtended strand (participates in β ladder)trans-149.3165.7176.165.5-171.4-15.100110.1F53 K139F53-Q55 VanDerWaalsContact CB-O 3.27Å; F53-Q55 WeakPolarHBondContact CB-O 3.46Å; F53-Q55 PolarHBondContact O-N 2.89Å; Q55-K139 VanDerWaalsContact NE2-CG 3.27Å
56S96.3Very high97Very high25 Ų2538.4 Ų38.418%0.17518%0.181CC..EExtended strand (participates in β ladder)trans-60.1139.6176.3-62.50000111.8V111 D112 T140S56-V111 WeakPolarHBondContact CA-O 3.26Å; S56-D112 WeakPolarHBondContact CA-OD1 3.5Å; S56-D112 VanDerWaalsContact CB-OD1 3.31Å; S56-D112 WeakPolarHBondContact CB-OD1 3.4Å; S56-D112 PolarHBondContact N-OD1 3.16Å; S56-D112 PolarHBondContact OG-OD1 3.27Å; S56-T140 WeakPolarHBondContact CB-OG1 3.4Å; S56-T140 PolarHBondContact O-N 2.95Å; S56-T140 PolarHBondContact O-OG1 3.24Å
57V96.6Very high97.4Very high2 Ų232.4 Ų32.41%0.01216%0.16CC..EExtended strand (participates in β ladder)trans-135.5158.5-178.7-59.70000111.4L5 F53 V59 T110 V111 E138 K139L5-V57 HydrophobicContact CD1-CB 3.73Å; L5-V57 HydrophobicContact CD1-CG1 4.17Å; L5-V57 HydrophobicContact CD1-CG2 3.84Å; L5-V57 HydrophobicContact CD2-CB 4.11Å; L5-V57 HydrophobicContact CD2-CG1 3.84Å; L5-V57 HydrophobicContact CG-CB 4.47Å; L5-V57 HydrophobicContact CG-CG1 4.42Å; F53-V57 HydrophobicContact CB-CG1 4.2Å; F53-V57 HydrophobicContact CD1-CG1 4.47Å; F53-V57 HydrophobicContact CD2-CG1 4.43Å; F53-V57 HydrophobicContact CD2-CG2 3.44Å; F53-V57 VanDerWaalsContact CD2-CG2 3.44Å; F53-V57 HydrophobicContact CE2-CG2 3.58Å; F53-V57 HydrophobicContact CG-CG1 4.13Å; F53-V57 HydrophobicContact CG-CG2 3.98Å; F53-V57 HydrophobicContact CZ-CG2 4.25Å; V57-V59 HydrophobicContact CG2-CG2 4.35Å; V57-T110 CarbonylContact O-C 3.54Å; V57-T110 WeakPolarHBondContact O-CA 3.43Å; V57-V111 HydrophobicContact CG2-CG2 4.08Å; V57-V111 PolarHBondContact N-O 3.08Å; V57-V111 PolarHBondContact O-N 2.95Å; V57-E138 CarbonylContact C-O 3.51Å; V57-E138 WeakPolarHBondContact CA-O 3.32Å; V57-K139 HydrophobicContact CG1-CG 4.36Å
58K96.1Very high97.4Very high99 Ų9933.4 Ų33.443%0.4317%0.173SC..EExtended strand (participates in β ladder)trans-111.8116.8163.9-71.3-177.8179.4-177.60108.7T110 G137 E138 T140K58-T110 WeakPolarHBondContact CE-OG1 3.43Å; K58-T110 WeakPolarHBondContact CG-OG1 3.38Å; K58-G137 CarbonylContact O-C 3.53Å; K58-G137 WeakPolarHBondContact O-CA 3.39Å; K58-E138 PolarHBondContact N-O 2.87Å; K58-E138 PolarHBondContact O-N 3.32Å; K58-T140 HydrophobicContact CD-CG2 4.3Å; K58-T140 HydrophobicContact CG-CG2 3.94Å
59V96.8Very high97.3Very high6 Ų631.6 Ų31.64%0.03618%0.176CC..EExtended strand (participates in β ladder)trans-79.6135.5-179.8-1770000110.2L5 V57 L77 I105 A108 V111 V114 I135L5-V59 HydrophobicContact CD1-CG2 4.21Å; V57-V59 HydrophobicContact CG2-CG2 4.35Å; V59-L77 HydrophobicContact CG1-CD2 4.37Å; V59-I105 HydrophobicContact CG1-CD1 3.83Å; V59-I105 HydrophobicContact CG1-CG1 4.48Å; V59-A108 HydrophobicContact CB-CB 4.42Å; V59-A108 WeakPolarHBondContact O-CB 3.5Å; V59-V111 HydrophobicContact CG2-CG2 4.29Å; V59-V114 HydrophobicContact CG2-CG1 3.96Å; V59-I135 HydrophobicContact CB-CG2 4.39Å; V59-I135 HydrophobicContact CG1-CG2 3.61Å; V59-I135 HydrophobicContact CG2-CG2 3.96Å
60S97Very high97.2Very high42 Ų4233.6 Ų33.629%0.29418%0.184SC..EExtended strand (participates in β ladder)trans-119.7-21.5175.965.40000113.5A2 I105 L136 G137A2-S60 WeakPolarHBondContact CB-OG 3.28Å; S60-I105 PolarHBondContact O-N 2.92Å; S60-L136 PolarHBondContact N-O 3.2Å; S60-L136 PolarHBondContact OG-O 3.32Å; S60-G137 WeakPolarHBondContact OG-CA 3.39Å; S60-G137 PolarHBondContact OG-N 2.74Å
61E97.9Very high97.2Very high40 Ų4032.4 Ų32.419%0.18718%0.178CC..EExtended strand (participates in β ladder)trans-157141.8-178.3-161-177.2162.900111.2K63 S102 F103 L136E61-K63 HydrophobicContact CG-CG 4.45Å; E61-K63 WeakPolarHBondContact OE1-CE 3.32Å; E61-S102 WeakPolarHBondContact OE1-CB 3.38Å; E61-S102 PolarHBondContact OE1-OG 2.93Å; E61-F103 WeakPolarHBondContact CA-O 3.13Å; E61-L136 HydrophobicContact CB-CB 4.03Å; E61-L136 HydrophobicContact CB-CG 4.43Å; E61-L136 PolarHBondContact N-O 2.76Å; E61-L136 PolarHBondContact O-N 3.12Å; E61-L136 WeakPolarHBondContact OE2-CD1 3.3Å
62V98.3Very high97.1Very high0 Ų032.3 Ų32.30%018%0.178CC..EExtended strand (participates in β ladder)trans-108.1131.6165.8174.70000107.9L64 L77 F92 F103 I105 I116 L133 I135V62-L64 HydrophobicContact CG1-CD1 3.76Å; V62-L64 HydrophobicContact CG1-CG 3.97Å; V62-L77 HydrophobicContact CG2-CD1 4.29Å; V62-L77 HydrophobicContact CG2-CD2 4.05Å; V62-F92 HydrophobicContact CB-CZ 4.4Å; V62-F92 HydrophobicContact CG1-CZ 3.99Å; V62-F92 HydrophobicContact CG2-CE1 4.42Å; V62-F103 HydrophobicContact CB-CB 4.45Å; V62-F103 PolarHBondContact N-O 3.18Å; V62-F103 PolarHBondContact O-N 3.22Å; V62-I105 HydrophobicContact CG2-CD1 3.78Å; V62-I116 HydrophobicContact CG1-CD1 4.18Å; V62-L133 HydrophobicContact CG1-CD1 4.21Å; V62-I135 HydrophobicContact CB-CD1 4.21Å; V62-I135 HydrophobicContact CG1-CD1 4.09Å; V62-I135 HydrophobicContact CG2-CD1 3.65Å
63K98.3Very high97Very high56 Ų5635.1 Ų35.124%0.24319%0.189CC..EExtended strand (participates in β ladder)trans-114.6130.2171.2-60.8-174173.5-177.90109.8E61 L100 Q101 S102 L133 D134 L136E61-K63 HydrophobicContact CG-CG 4.45Å; E61-K63 WeakPolarHBondContact OE1-CE 3.32Å; K63-L100 HydrophobicContact CB-CD1 4.22Å; K63-Q101 CarbonylContact C-O 3.57Å; K63-Q101 VanDerWaalsContact CA-O 3.26Å; K63-Q101 WeakPolarHBondContact CA-O 3.38Å; K63-S102 WeakPolarHBondContact CE-OG 3.35Å; K63-L133 WeakPolarHBondContact O-CA 3.48Å; K63-D134 HydrophobicContact CB-CB 4.19Å; K63-D134 PolarHBondContact N-O 3.39Å; K63-D134 PolarHBondContact O-N 2.75Å; K63-L136 HydrophobicContact CD-CD1 4.35Å
64L97.8Very high97Very high0 Ų035 Ų350%019%0.19CC..EExtended strand (participates in β ladder)trans-140137.5-175.2-87.4163.9000110.6V62 F66 F92 Q101 F103 F118 V130 S132 L133V62-L64 HydrophobicContact CG1-CD1 3.76Å; V62-L64 HydrophobicContact CG1-CG 3.97Å; L64-F66 HydrophobicContact CB-CD2 4.43Å; L64-F66 HydrophobicContact CB-CE2 3.89Å; L64-F66 HydrophobicContact CB-CZ 4.44Å; L64-F66 HydrophobicContact CD1-CE2 4.09Å; L64-F66 HydrophobicContact CD1-CZ 4Å; L64-F66 HydrophobicContact CD2-CZ 4.36Å; L64-F66 HydrophobicContact CG-CE2 4.43Å; L64-F92 HydrophobicContact CD1-CE2 3.77Å; L64-F92 HydrophobicContact CD1-CZ 3.93Å; L64-Q101 PolarHBondContact N-O 2.9Å; L64-Q101 PolarHBondContact O-N 2.78Å; L64-F103 HydrophobicContact CB-CE2 4.26Å; L64-F118 HydrophobicContact CD1-CE1 4.44Å; L64-V130 HydrophobicContact CD2-CG1 3.75Å; L64-V130 HydrophobicContact CD2-CG2 4.38Å; L64-S132 CarbonylContact C-O 3.6Å; L64-S132 WeakPolarHBondContact CA-O 3.43Å; L64-L133 HydrophobicContact CD2-CB 4.05Å; L64-L133 HydrophobicContact CD2-CD1 3.6Å; L64-L133 HydrophobicContact CD2-CG 4.31Å; L64-L133 HydrophobicContact CG-CD1 3.84Å
65Q98.4Very high97.1Very high39 Ų3931.9 Ų31.918%0.18217%0.169CC..EExtended strand (participates in β ladder)trans-122.2111.6170.3-173.7178.319.700109.1N98 L100 V130 Y131 S132Q65-N98 WeakPolarHBondContact CG-O 3.48Å; Q65-N98 PolarHBondContact NE2-O 3.34Å; Q65-L100 HydrophobicContact CB-CD1 4.02Å; Q65-V130 WeakPolarHBondContact O-CA 3.3Å; Q65-Y131 PolarHBondContact O-N 3.32Å; Q65-S132 PolarHBondContact N-O 2.83Å
66F98.2Very high97.2Very high0 Ų031.2 Ų31.20%016%0.164CC..EExtended strand (participates in β ladder)trans-90.5168.6176.9-68.5-82.1000111.6L64 S71 A72 P94 N98 F118 I128 V129 V130L64-F66 HydrophobicContact CB-CD2 4.43Å; L64-F66 HydrophobicContact CB-CE2 3.89Å; L64-F66 HydrophobicContact CB-CZ 4.44Å; L64-F66 HydrophobicContact CD1-CE2 4.09Å; L64-F66 HydrophobicContact CD1-CZ 4Å; L64-F66 HydrophobicContact CD2-CZ 4.36Å; L64-F66 HydrophobicContact CG-CE2 4.43Å; F66-S71 WeakPolarHBondContact CB-OG 3.24Å; F66-A72 HydrophobicContact CE1-CB 4.16Å; F66-A72 HydrophobicContact CZ-CB 4.01Å; F66-P94 HydrophobicContact CD2-CB 3.98Å; F66-P94 HydrophobicContact CD2-CG 4.38Å; F66-P94 HydrophobicContact CE2-CB 3.66Å; F66-P94 HydrophobicContact CE2-CG 3.57Å; F66-P94 HydrophobicContact CZ-CG 4.16Å; F66-N98 WeakPolarHBondContact O-CA 3.38Å; F66-F118 HydrophobicContact CE1-CD1 4.23Å; F66-F118 HydrophobicContact CE1-CE1 4Å; F66-F118 HydrophobicContact CZ-CD1 4.14Å; F66-F118 AromaticContact CZ-CE1 3.84Å; F66-F118 HydrophobicContact CZ-CE1 3.84Å; F66-I128 HydrophobicContact CD1-CG2 4.17Å; F66-I128 HydrophobicContact CE1-CG2 3.83Å; F66-V129 VanDerWaalsContact CA-O 3.3Å; F66-V129 WeakPolarHBondContact CA-O 3.42Å; F66-V130 HydrophobicContact CD1-CG2 3.9Å; F66-V130 HydrophobicContact CE1-CG2 3.78Å
67Q97.6Very high97.3Very high52 Ų5230 Ų3024%0.24316%0.155CC..PPolyproline II helixtrans-88.7129.5156.3-166.9172.8-79.200109.7G69 F70 S71 N98 V129 Y131Q67-G69 PolarHBondContact O-N 2.87Å; Q67-F70 HydrophobicContact CB-CB 4.34Å; Q67-F70 HydrophobicContact CB-CD2 4.32Å; Q67-F70 HydrophobicContact CG-CD2 4.14Å; Q67-F70 CarbonylContact O-C 3.4Å; Q67-F70 WeakPolarHBondContact O-CA 3.34Å; Q67-F70 PolarHBondContact O-N 2.9Å; Q67-S71 PolarHBondContact O-N 3.37Å; Q67-S71 PolarHBondContact O-OG 2.86Å; Q67-N98 WeakPolarHBondContact CA-OD1 3.42Å; Q67-V129 HydrophobicContact CB-CB 3.73Å; Q67-V129 HydrophobicContact CB-CG1 3.77Å; Q67-V129 PolarHBondContact N-O 2.89Å; Q67-Y131 HydrophobicContact CB-CD2 4.45Å; Q67-Y131 HydrophobicContact CB-CE2 3.73Å; Q67-Y131 HydrophobicContact CG-CE2 4.08Å; Q67-Y131 PolarHBondContact OE1-OH 2.6Å
68G96.4Very high97.4Very high30 Ų3031 Ų3131%0.30916%0.16SC..THydrogen-bonded Turntrans-54.5135170.600000111.6F70 D96 N98G68-F70 VanDerWaalsContact C-N 3.28Å; G68-D96 WeakPolarHBondContact CA-OD1 3.44Å; G68-N98 PolarHBondContact N-OD1 3.19Å
69G96.9Very high97.4Very high30 Ų3026.3 Ų26.331%0.30914%0.139SC..THydrogen-bonded Turntrans83.3-5.6-170.600000114.8Q67 D96 T122 D123Q67-G69 PolarHBondContact O-N 2.87Å; G69-D96 PolarHBondContact N-OD1 2.97Å; G69-D96 PolarHBondContact N-OD2 3.04Å; G69-T122 PolarHBondContact O-OG1 2.97Å; G69-D123 WeakPolarHBondContact O-CA 3.37Å; G69-D123 WeakPolarHBondContact O-CB 3.47Å; G69-D123 PolarHBondContact O-N 2.82Å
70F97.4Very high97.4Very high42 Ų4226.3 Ų26.318%0.18414%0.139CC..SBendtrans-134.523.9179.1-59-96.4000112Q67 G68 T122 D123 R127 I128 V129Q67-F70 HydrophobicContact CB-CB 4.34Å; Q67-F70 HydrophobicContact CB-CD2 4.32Å; Q67-F70 HydrophobicContact CG-CD2 4.14Å; Q67-F70 CarbonylContact O-C 3.4Å; Q67-F70 WeakPolarHBondContact O-CA 3.34Å; Q67-F70 PolarHBondContact O-N 2.9Å; G68-F70 VanDerWaalsContact C-N 3.28Å; F70-T122 PolarHBondContact N-OG1 3.38Å; F70-D123 HydrophobicContact CD1-CB 3.87Å; F70-D123 HydrophobicContact CE1-CB 4.29Å; F70-D123 HydrophobicContact CG-CB 4.49Å; F70-R127 HydrophobicContact CD1-CB 4.05Å; F70-R127 HydrophobicContact CE1-CB 4.5Å; F70-I128 WeakPolarHBondContact O-CA 3.44Å; F70-V129 HydrophobicContact CB-CB 3.91Å; F70-V129 HydrophobicContact CB-CG2 3.7Å; F70-V129 HydrophobicContact CD1-CG2 3.93Å; F70-V129 HydrophobicContact CG-CB 4.45Å; F70-V129 HydrophobicContact CG-CG2 3.8Å; F70-V129 PolarHBondContact O-N 2.98Å
71S97.2Very high97.3Very high0 Ų032 Ų320%015%0.154CC..  trans-85.2150.7-178.3-49.10000110.6F66 Q67 D96 S121 T122F66-S71 WeakPolarHBondContact CB-OG 3.24Å; Q67-S71 PolarHBondContact O-N 3.37Å; Q67-S71 PolarHBondContact O-OG 2.86Å; S71-D96 VanDerWaalsContact CB-OD1 3.26Å; S71-D96 WeakPolarHBondContact CB-OD1 3.42Å; S71-D96 PolarHBondContact OG-OD1 2.84Å; S71-S121 CarbonylContact O-C 3.56Å; S71-S121 WeakPolarHBondContact O-CA 3.47Å; S71-T122 PolarHBondContact N-OG1 2.89Å; S71-T122 PolarHBondContact O-N 2.78Å; S71-T122 PolarHBondContact O-OG1 2.87Å
72A96.8Very high96.7Very high0 Ų036.9 Ų36.90%018%0.175CC..EExtended strand (participates in β ladder)trans-71.7134.9167.300000109.9F66 C75 P94 F118 N120 I128F66-A72 HydrophobicContact CE1-CB 4.16Å; F66-A72 HydrophobicContact CZ-CB 4.01Å; A72-C75 VanDerWaalsContact CB-SG 3.51Å; A72-P94 WeakPolarHBondContact O-CD 3.42Å; A72-F118 HydrophobicContact CB-CB 3.83Å; A72-F118 HydrophobicContact CB-CD1 3.67Å; A72-F118 HydrophobicContact CB-CG 4.13Å; A72-N120 CarbonylContact C-O 3.53Å; A72-N120 VanDerWaalsContact CA-O 3.28Å; A72-N120 WeakPolarHBondContact CA-O 3.11Å; A72-I128 HydrophobicContact CB-CD1 4.02Å
73K95.6Very high96.1Very high117 Ų11743.6 Ų43.651%0.50921%0.211SC..EExtended strand (participates in β ladder)trans-77.9-29.3172.4-62.8175.6177.3157.40112.3Y93 N120 S121 T122K73-Y93 WeakPolarHBondContact O-CD1 3.19Å; K73-N120 HydrophobicContact CB-CB 4.16Å; K73-N120 HydrophobicContact CD-CB 4.26Å; K73-N120 PolarHBondContact N-O 3Å; K73-S121 WeakPolarHBondContact CE-O 3.02Å; K73-S121 PolarHBondContact NZ-O 3.19Å; K73-S121 VanDerWaalsContact NZ-O 3.13Å; K73-T122 HydrophobicContact CD-CG2 4.44Å; K73-T122 HydrophobicContact CG-CG2 3.72Å
74A96.9Very high95.6Very high8 Ų842.9 Ų42.97%0.06622%0.219CC..EExtended strand (participates in β ladder)trans-147.6135.7177.200000108.8Y93 E119A74-Y93 HydrophobicContact CB-CD1 4.01Å; A74-Y93 HydrophobicContact CB-CE1 3.95Å; A74-E119 PolarHBondContact O-N 3.29Å
75C97.8Very high95.4Very high0 Ų050 Ų500%026%0.257CS..EExtended strand (participates in β ladder)trans-120.3134.4177.2-65.10000109.4A72 Q91 F92 I116 L117A72-C75 VanDerWaalsContact CB-SG 3.51Å; C75-Q91 WeakPolarHBondContact O-CA 3.23Å; C75-Q91 WeakPolarHBondContact O-CG 3.38Å; C75-F92 HydrophobicContact CB-CD1 4.12Å; C75-F92 HydrophobicContact CB-CD2 3.55Å; C75-F92 HydrophobicContact CB-CE1 3.8Å; C75-F92 HydrophobicContact CB-CE2 3.19Å; C75-F92 HydrophobicContact CB-CG 4.01Å; C75-F92 HydrophobicContact CB-CZ 3.32Å; C75-F92 PolarHBondContact N-O 3.35Å; C75-F92 PolarHBondContact O-N 2.92Å; C75-F92 VanDerWaalsContact SG-CE2 3.54Å; C75-I116 HydrophobicContact CB-CG2 4.41Å; C75-L117 CarbonylContact C-O 3.55Å; C75-L117 VanDerWaalsContact CA-O 3.24Å; C75-L117 WeakPolarHBondContact CA-O 3.39Å
76R97.8Very high95.3Very high68 Ų6851.7 Ų51.726%0.25726%0.264SS..EExtended strand (participates in β ladder)trans-109.9121.9168.4-170.9170.368.2-146.511109.2E78 E88 I116 L117 E119R76-E78 HydrophobicContact CG-CG 4.21Å; R76-E78 IonicContact CZ-OE1 3.93Å; R76-E78 IonicContact NE-OE1 3.58Å; R76-E78 PolarHBondContact NE-OE1 3.22Å; R76-E78 IonicContact NH2-OE1 3.62Å; R76-E78 PolarHBondContact NH2-OE1 2.94Å; R76-E88 WeakPolarHBondContact CD-OE2 3.5Å; R76-E88 HydrophobicContact CG-CG 3.85Å; R76-I116 WeakPolarHBondContact O-CA 3.36Å; R76-L117 HydrophobicContact CB-CB 4.38Å; R76-L117 PolarHBondContact N-O 2.56Å; R76-L117 PolarHBondContact O-N 2.81Å; R76-E119 IonicContact CZ-OE1 2.84Å; R76-E119 IonicContact NH1-OE1 3.17Å; R76-E119 PolarHBondContact NH1-OE1 2.84Å
77L98Very high95.1Very high0 Ų055.4 Ų55.40%029%0.287CS..EExtended strand (participates in β ladder)trans-90.8123.6168.3-172.474.9000108.7V59 V62 L89 S90 F92 I105 V114 I116V59-L77 HydrophobicContact CG1-CD2 4.37Å; V62-L77 HydrophobicContact CG2-CD1 4.29Å; V62-L77 HydrophobicContact CG2-CD2 4.05Å; L77-L89 HydrophobicContact CD2-CB 4.09Å; L77-L89 HydrophobicContact CD2-CD1 3.8Å; L77-L89 HydrophobicContact CG-CB 4.3Å; L77-L89 HydrophobicContact CG-CD1 4.08Å; L77-L89 PolarHBondContact O-N 2.89Å; L77-S90 PolarHBondContact N-O 2.86Å; L77-S90 PolarHBondContact O-N 3.49Å; L77-F92 HydrophobicContact CB-CE1 4.23Å; L77-I105 HydrophobicContact CD2-CD1 3.09Å; L77-I105 HydrophobicContact CG-CD1 4.4Å; L77-V114 HydrophobicContact CD1-CB 4.19Å; L77-I116 HydrophobicContact CD1-CD1 4.49Å; L77-I116 HydrophobicContact CD1-CG1 3.52Å
78E97.6Very high95.1Very high23 Ų2358.5 Ų58.511%0.10730%0.302CS..EExtended strand (participates in β ladder)trans-114.9156.1170.4-60.2173.8172.100109.7R76 F86 T87 V114 K115 L117R76-E78 HydrophobicContact CG-CG 4.21Å; R76-E78 IonicContact CZ-OE1 3.93Å; R76-E78 IonicContact NE-OE1 3.58Å; R76-E78 PolarHBondContact NE-OE1 3.22Å; R76-E78 IonicContact NH2-OE1 3.62Å; R76-E78 PolarHBondContact NH2-OE1 2.94Å; E78-F86 HydrophobicContact CB-CB 4.01Å; E78-F86 HydrophobicContact CB-CD1 3.9Å; E78-F86 HydrophobicContact CB-CG 4.37Å; E78-T87 CarbonylContact C-O 3.56Å; E78-T87 WeakPolarHBondContact CA-O 3.38Å; E78-V114 CarbonylContact O-C 3.57Å; E78-V114 VanDerWaalsContact O-CA 3.26Å; E78-V114 WeakPolarHBondContact O-CA 3.41Å; E78-K115 HydrophobicContact CB-CB 4.48Å; E78-K115 PolarHBondContact N-O 2.93Å; E78-K115 PolarHBondContact O-N 2.77Å; E78-L117 HydrophobicContact CG-CD1 3.87Å; E78-L117 WeakPolarHBondContact OE1-CD1 3.43Å; E78-L117 VanDerWaalsContact OE2-CD1 3.3Å; E78-L117 WeakPolarHBondContact OE2-CD1 3.28Å
79G97.2Very high95Very high0 Ų058.2 Ų58.20%029%0.293CS..EExtended strand (participates in β ladder)trans-146.4157.8171.900000112T87 K113G79-T87 PolarHBondContact N-O 3.13Å; G79-T87 PolarHBondContact O-N 3.47Å; G79-T87 PolarHBondContact O-OG1 2.73Å; G79-K113 WeakPolarHBondContact CA-O 3.42Å
80C96Very high95.1Very high5 Ų558.1 Ų58.13%0.03429%0.287CS..EExtended strand (participates in β ladder)trans-141.8157.4177750000110.6D85 F86 D112 K113C80-D85 VanDerWaalsContact CB-O 3.29Å; C80-D85 WeakPolarHBondContact CB-O 3.35Å; C80-F86 HydrophobicContact CB-CD1 4.12Å; C80-F86 HydrophobicContact CB-CE1 4.26Å; C80-F86 HydrophobicContact CB-CG 4.25Å; C80-D112 PolarHBondContact O-N 3.19Å; C80-K113 PolarHBondContact N-O 2.62Å; C80-K113 PolarHBondContact O-N 2.88Å; C80-K113 VanDerWaalsContact O-N 3.17Å
81R94.2Very high95Very high161 Ų16159.9 Ų59.961%0.60830%0.296SS*.SBendtrans-99.3129.9169.8-162.4179.6-175.9-165.13.6108.6D83 G84 D112R81-D83 PolarHBondContact O-N 2.96Å; R81-G84 PolarHBondContact O-N 2.79Å; R81-D112 VanDerWaalsContact CG-OD2 3.25Å; R81-D112 WeakPolarHBondContact CG-OD2 3.32Å
82K87.1Confident95Very high143 Ų14360.5 Ų60.562%0.62230%0.299SS*.THydrogen-bonded Turntrans48.7-125.9-176.6-59-178.8178.7-177.20111.3D112 K113K82-D112 WeakPolarHBondContact CG-OD2 3.48Å; K82-D112 PolarHBondContact N-OD2 2.84Å; K82-K113 WeakPolarHBondContact O-CE 3.44Å; K82-K113 PolarHBondContact O-NZ 2.89Å
83D84.4Confident95.1Very high142 Ų14267.3 Ų67.376%0.75933%0.326SS*.THydrogen-bonded Turntrans-100.826.1178-57-46.8000112.5R81 K113R81-D83 PolarHBondContact O-N 2.96Å; D83-K113 IonicContact OD1-NZ 2.78Å; D83-K113 PolarHBondContact OD1-NZ 2.93Å
84G88.9Confident95.2Very high40 Ų4062.4 Ų62.441%0.41231%0.306SS..SBendtrans-73.3175.617100000112.9R81R81-G84 PolarHBondContact O-N 2.79Å
85D92.9Very high95.2Very high150 Ų15068.2 Ų68.280%0.80233%0.331SS*.  trans-71.2146.9177.3-64.2-47.2000111.9C80 T87C80-D85 VanDerWaalsContact CB-O 3.29Å; C80-D85 WeakPolarHBondContact CB-O 3.35Å; D85-T87 PolarHBondContact O-N 3.04Å
86F95.7Very high95.2Very high74 Ų7472 Ų7233%0.32535%0.352SS..  trans-71.6126.5172.9-81.1-83.1000110.4L50 E78 C80 K113 K115L50-F86 HydrophobicContact CD1-CE1 3.93Å; L50-F86 HydrophobicContact CD1-CE2 4.46Å; L50-F86 HydrophobicContact CD1-CZ 3.47Å; L50-F86 VanDerWaalsContact CD1-CZ 3.47Å; E78-F86 HydrophobicContact CB-CB 4.01Å; E78-F86 HydrophobicContact CB-CD1 3.9Å; E78-F86 HydrophobicContact CB-CG 4.37Å; C80-F86 HydrophobicContact CB-CD1 4.12Å; C80-F86 HydrophobicContact CB-CE1 4.26Å; C80-F86 HydrophobicContact CB-CG 4.25Å; F86-K113 HydrophobicContact CE1-CB 4.22Å; F86-K113 HydrophobicContact CZ-CB 4.1Å; F86-K115 HydrophobicContact CD1-CB 4.01Å; F86-K115 HydrophobicContact CE1-CB 3.75Å; F86-K115 HydrophobicContact CZ-CB 4.35Å
87T95.4Very high95.1Very high79 Ų7970.6 Ų70.649%0.48535%0.349SS..EExtended strand (participates in β ladder)trans-113.4142.9173.256.70000109.9E78 G79 D85 L89E78-T87 CarbonylContact C-O 3.56Å; E78-T87 WeakPolarHBondContact CA-O 3.38Å; G79-T87 PolarHBondContact N-O 3.13Å; G79-T87 PolarHBondContact O-N 3.47Å; G79-T87 PolarHBondContact O-OG1 2.73Å; D85-T87 PolarHBondContact O-N 3.04Å; T87-L89 PolarHBondContact O-N 3.29Å
88E96.3Very high95Very high117 Ų11775.2 Ų75.255%0.54737%0.374SS..EExtended strand (participates in β ladder)trans-61.7128.1175.5-172.1176.3137.200110.9R76R76-E88 WeakPolarHBondContact CD-OE2 3.5Å; R76-E88 HydrophobicContact CG-CG 3.85Å
89L96Very high95Very high24 Ų2477.8 Ų77.813%0.12639%0.394CS..EExtended strand (participates in β ladder)trans-100.5-39175-54.7-178.1000111.2L77 T87 P109 V111 V114L77-L89 HydrophobicContact CD2-CB 4.09Å; L77-L89 HydrophobicContact CD2-CD1 3.8Å; L77-L89 HydrophobicContact CG-CB 4.3Å; L77-L89 HydrophobicContact CG-CD1 4.08Å; L77-L89 PolarHBondContact O-N 2.89Å; T87-L89 PolarHBondContact O-N 3.29Å; L89-P109 HydrophobicContact CD2-CG 3.57Å; L89-V111 HydrophobicContact CD1-CG1 4.43Å; L89-V111 HydrophobicContact CD2-CG1 4.29Å; L89-V114 HydrophobicContact CD1-CG1 4.21Å
90S97Very high95Very high27 Ų2782.4 Ų82.419%0.18942%0.418CS..EExtended strand (participates in β ladder)trans-166.1159.3-177.8-176.60000111.2L77L77-S90 PolarHBondContact N-O 2.86Å; L77-S90 PolarHBondContact O-N 3.49Å
91Q97.1Very high95.1Very high80 Ų8083.3 Ų83.337%0.37442%0.421SS..EExtended strand (participates in β ladder)trans-124.5136.3168.3-165.8-178.324.100109.3C75 Y93C75-Q91 WeakPolarHBondContact O-CA 3.23Å; C75-Q91 WeakPolarHBondContact O-CG 3.38Å; Q91-Y93 HydrophobicContact CG-CE2 4.41Å; Q91-Y93 PolarHBondContact NE2-OH 3.01Å; Q91-Y93 PolarHBondContact OE1-OH 2.86Å; Q91-Y93 VanDerWaalsContact OE1-OH 3.04Å
92F97.4Very high95.3Very high12 Ų1278.4 Ų78.45%0.05341%0.412CS..EExtended strand (participates in β ladder)trans-143.1160.3-179.758.5-91.2000112.1V62 L64 C75 L77 P94 F103 I116V62-F92 HydrophobicContact CB-CZ 4.4Å; V62-F92 HydrophobicContact CG1-CZ 3.99Å; V62-F92 HydrophobicContact CG2-CE1 4.42Å; L64-F92 HydrophobicContact CD1-CE2 3.77Å; L64-F92 HydrophobicContact CD1-CZ 3.93Å; C75-F92 HydrophobicContact CB-CD1 4.12Å; C75-F92 HydrophobicContact CB-CD2 3.55Å; C75-F92 HydrophobicContact CB-CE1 3.8Å; C75-F92 HydrophobicContact CB-CE2 3.19Å; C75-F92 HydrophobicContact CB-CG 4.01Å; C75-F92 HydrophobicContact CB-CZ 3.32Å; C75-F92 PolarHBondContact N-O 3.35Å; C75-F92 PolarHBondContact O-N 2.92Å; C75-F92 VanDerWaalsContact SG-CE2 3.54Å; L77-F92 HydrophobicContact CB-CE1 4.23Å; F92-P94 HydrophobicContact CD2-CG 4.2Å; F92-P94 HydrophobicContact CE2-CG 4.31Å; F92-F103 HydrophobicContact CB-CB 4.07Å; F92-F103 HydrophobicContact CB-CD1 3.61Å; F92-F103 HydrophobicContact CB-CE1 4.29Å; F92-F103 HydrophobicContact CB-CG 3.93Å; F92-F103 HydrophobicContact CD1-CB 4.29Å; F92-F103 HydrophobicContact CD2-CB 4.06Å; F92-F103 AromaticContact CD2-CD1 3.59Å; F92-F103 HydrophobicContact CD2-CD1 3.59Å; F92-F103 AromaticContact CD2-CD2 3.53Å; F92-F103 HydrophobicContact CD2-CD2 3.53Å; F92-F103 AromaticContact CD2-CE1 3.83Å; F92-F103 HydrophobicContact CD2-CE1 3.83Å; F92-F103 AromaticContact CD2-CE2 3.79Å; F92-F103 HydrophobicContact CD2-CE2 3.79Å; F92-F103 AromaticContact CD2-CG 3.42Å; F92-F103 HydrophobicContact CD2-CG 3.42Å; F92-F103 VanDerWaalsContact CD2-CG 3.42Å; F92-F103 AromaticContact CD2-CZ 3.93Å; F92-F103 HydrophobicContact CD2-CZ 3.93Å; F92-F103 AromaticContact CE2-CD2 3.64Å; F92-F103 HydrophobicContact CE2-CD2 3.64Å; F92-F103 AromaticContact CE2-CE2 3.88Å; F92-F103 HydrophobicContact CE2-CE2 3.88Å; F92-F103 AromaticContact CE2-CG 3.99Å; F92-F103 HydrophobicContact CE2-CG 3.99Å; F92-F103 HydrophobicContact CE2-CZ 4.4Å; F92-F103 HydrophobicContact CG-CB 3.9Å; F92-F103 AromaticContact CG-CD1 3.86Å; F92-F103 HydrophobicContact CG-CD1 3.86Å; F92-F103 HydrophobicContact CG-CD2 4.25Å; F92-F103 HydrophobicContact CG-CE1 4.47Å; F92-F103 AromaticContact CG-CG 3.72Å; F92-F103 HydrophobicContact CG-CG 3.72Å; F92-F103 HydrophobicContact CZ-CD2 4.45Å; F92-I116 HydrophobicContact CZ-CG2 4.21Å
93Y97.7Very high95.8Very high144 Ų14472.7 Ų72.757%0.56539%0.387SS*.  trans-128.795.3-167.8-57.4-89.6000109.6K73 A74 Q91K73-Y93 WeakPolarHBondContact O-CD1 3.19Å; A74-Y93 HydrophobicContact CB-CD1 4.01Å; A74-Y93 HydrophobicContact CB-CE1 3.95Å; Q91-Y93 HydrophobicContact CG-CE2 4.41Å; Q91-Y93 PolarHBondContact NE2-OH 3.01Å; Q91-Y93 PolarHBondContact OE1-OH 2.86Å; Q91-Y93 VanDerWaalsContact OE1-OH 3.04Å
94P97.4Very high96.4Very high14 Ų1470.8 Ų70.89%0.09138%0.382CS..  trans-66146.9176.7-19.331.5000112.6F66 A72 F92 F103F66-P94 HydrophobicContact CD2-CB 3.98Å; F66-P94 HydrophobicContact CD2-CG 4.38Å; F66-P94 HydrophobicContact CE2-CB 3.66Å; F66-P94 HydrophobicContact CE2-CG 3.57Å; F66-P94 HydrophobicContact CZ-CG 4.16Å; A72-P94 WeakPolarHBondContact O-CD 3.42Å; F92-P94 HydrophobicContact CD2-CG 4.2Å; F92-P94 HydrophobicContact CE2-CG 4.31Å; P94-F103 HydrophobicContact CB-CZ 3.9Å; P94-F103 HydrophobicContact CG-CE2 4.39Å; P94-F103 HydrophobicContact CG-CZ 3.87Å
95E97.4Very high96.7Very high129 Ų12969.4 Ų69.460%0.60337%0.366SS*.  trans-76.5148165-65-172.917200110.6N97 Q101E95-N97 VanDerWaalsContact C-N 3.3Å; E95-N97 WeakPolarHBondContact CB-ND2 3.16Å; E95-N97 PolarHBondContact O-N 3.05Å; E95-N97 PolarHBondContact OE2-ND2 3.08Å; E95-Q101 PolarHBondContact O-NE2 3.31Å
96D97Very high96.5Very high80 Ų8070.6 Ų70.643%0.42837%0.366SS..SBendtrans-8273.5178.7-167.126.6000111.8G68 G69 S71 T122G68-D96 WeakPolarHBondContact CA-OD1 3.44Å; G69-D96 PolarHBondContact N-OD1 2.97Å; G69-D96 PolarHBondContact N-OD2 3.04Å; S71-D96 VanDerWaalsContact CB-OD1 3.26Å; S71-D96 WeakPolarHBondContact CB-OD1 3.42Å; S71-D96 PolarHBondContact OG-OD1 2.84Å; D96-T122 HydrophobicContact CB-CG2 3.99Å; D96-T122 PolarHBondContact OD1-OG1 3.22Å; D96-T122 VanDerWaalsContact OD1-OG1 3.1Å; D96-T122 WeakPolarHBondContact OD2-CB 3.43Å; D96-T122 PolarHBondContact OD2-OG1 3.07Å
97N96.1Very high95.8Very high38 Ų3876.4 Ų76.420%0.20340%0.395CS..SBendtrans-147.7177.7-179.166.840.7000111.9E95 C99 Q101E95-N97 VanDerWaalsContact C-N 3.3Å; E95-N97 WeakPolarHBondContact CB-ND2 3.16Å; E95-N97 PolarHBondContact O-N 3.05Å; E95-N97 PolarHBondContact OE2-ND2 3.08Å; N97-C99 VanDerWaalsContact OD1-CB 3.32Å; N97-C99 WeakPolarHBondContact OD1-CB 3.47Å; N97-C99 PolarHBondContact OD1-N 3.08Å; N97-Q101 PolarHBondContact OD1-NE2 2.88Å
98N95.9Very high95.4Very high97 Ų9773.4 Ų73.452%0.51938%0.377SS..SBendtrans-94.58.8-179.1-61.6-31.5000113.5Q65 F66 Q67 G68Q65-N98 WeakPolarHBondContact CG-O 3.48Å; Q65-N98 PolarHBondContact NE2-O 3.34Å; F66-N98 WeakPolarHBondContact O-CA 3.38Å; Q67-N98 WeakPolarHBondContact CA-OD1 3.42Å; G68-N98 PolarHBondContact N-OD1 3.19Å
99C97.1Very high95.2Very high78 Ų7871.1 Ų71.153%0.52737%0.373SS..SBendtrans-78.8147-177.8-63.70000110.1N97 Q101N97-C99 VanDerWaalsContact OD1-CB 3.32Å; N97-C99 WeakPolarHBondContact OD1-CB 3.47Å; N97-C99 PolarHBondContact OD1-N 3.08Å; C99-Q101 PolarHBondContact O-N 2.89Å
100L97.9Very high95.2Very high96 Ų9672 Ų7250%0.50338%0.379SS..EExtended strand (participates in β ladder)trans-66.1122.4164-177.567.8000108.7K63 Q65K63-L100 HydrophobicContact CB-CD1 4.22Å; Q65-L100 HydrophobicContact CB-CD1 4.02Å
101Q97.9Very high95.2Very high24 Ų2470.8 Ų70.811%0.11237%0.371CS..EExtended strand (participates in β ladder)trans-113.2145.4-178.3-64175.656.900110.3K63 L64 E95 N97 C99 F103K63-Q101 CarbonylContact C-O 3.57Å; K63-Q101 VanDerWaalsContact CA-O 3.26Å; K63-Q101 WeakPolarHBondContact CA-O 3.38Å; L64-Q101 PolarHBondContact N-O 2.9Å; L64-Q101 PolarHBondContact O-N 2.78Å; E95-Q101 PolarHBondContact O-NE2 3.31Å; N97-Q101 PolarHBondContact OD1-NE2 2.88Å; C99-Q101 PolarHBondContact O-N 2.89Å; Q101-F103 HydrophobicContact CB-CE2 3.71Å; Q101-F103 HydrophobicContact CB-CZ 3.6Å
102S98.1Very high95.2Very high59 Ų5968 Ų6841%0.41336%0.358SS..EExtended strand (participates in β ladder)trans-119.6125.6-173.8-93.70000110E61 K63E61-S102 WeakPolarHBondContact OE1-CB 3.38Å; E61-S102 PolarHBondContact OE1-OG 2.93Å; K63-S102 WeakPolarHBondContact CE-OG 3.35Å
103F97.9Very high95.2Very high23 Ų2368.7 Ų68.710%0.10136%0.362CS..EExtended strand (participates in β ladder)trans-122.897.8-177.3-54.1-76.4000109.8E61 V62 L64 F92 P94 Q101E61-F103 WeakPolarHBondContact CA-O 3.13Å; V62-F103 HydrophobicContact CB-CB 4.45Å; V62-F103 PolarHBondContact N-O 3.18Å; V62-F103 PolarHBondContact O-N 3.22Å; L64-F103 HydrophobicContact CB-CE2 4.26Å; F92-F103 HydrophobicContact CB-CB 4.07Å; F92-F103 HydrophobicContact CB-CD1 3.61Å; F92-F103 HydrophobicContact CB-CE1 4.29Å; F92-F103 HydrophobicContact CB-CG 3.93Å; F92-F103 HydrophobicContact CD1-CB 4.29Å; F92-F103 HydrophobicContact CD2-CB 4.06Å; F92-F103 AromaticContact CD2-CD1 3.59Å; F92-F103 HydrophobicContact CD2-CD1 3.59Å; F92-F103 AromaticContact CD2-CD2 3.53Å; F92-F103 HydrophobicContact CD2-CD2 3.53Å; F92-F103 AromaticContact CD2-CE1 3.83Å; F92-F103 HydrophobicContact CD2-CE1 3.83Å; F92-F103 AromaticContact CD2-CE2 3.79Å; F92-F103 HydrophobicContact CD2-CE2 3.79Å; F92-F103 AromaticContact CD2-CG 3.42Å; F92-F103 HydrophobicContact CD2-CG 3.42Å; F92-F103 VanDerWaalsContact CD2-CG 3.42Å; F92-F103 AromaticContact CD2-CZ 3.93Å; F92-F103 HydrophobicContact CD2-CZ 3.93Å; F92-F103 AromaticContact CE2-CD2 3.64Å; F92-F103 HydrophobicContact CE2-CD2 3.64Å; F92-F103 AromaticContact CE2-CE2 3.88Å; F92-F103 HydrophobicContact CE2-CE2 3.88Å; F92-F103 AromaticContact CE2-CG 3.99Å; F92-F103 HydrophobicContact CE2-CG 3.99Å; F92-F103 HydrophobicContact CE2-CZ 4.4Å; F92-F103 HydrophobicContact CG-CB 3.9Å; F92-F103 AromaticContact CG-CD1 3.86Å; F92-F103 HydrophobicContact CG-CD1 3.86Å; F92-F103 HydrophobicContact CG-CD2 4.25Å; F92-F103 HydrophobicContact CG-CE1 4.47Å; F92-F103 AromaticContact CG-CG 3.72Å; F92-F103 HydrophobicContact CG-CG 3.72Å; F92-F103 HydrophobicContact CZ-CD2 4.45Å; P94-F103 HydrophobicContact CB-CZ 3.9Å; P94-F103 HydrophobicContact CG-CE2 4.39Å; P94-F103 HydrophobicContact CG-CZ 3.87Å; Q101-F103 HydrophobicContact CB-CE2 3.71Å; Q101-F103 HydrophobicContact CB-CZ 3.6Å
104P97.1Very high95.2Very high101 Ų10161.9 Ų61.966%0.65634%0.335SS*.EExtended strand (participates in β ladder)trans-63.4145.3176.2-21.533.3000111.9
105I94.9Very high95.3Very high12 Ų1263.5 Ų63.56%0.06234%0.34CS..  trans-120.1122.4179.4-52.6-158.1000108.8V59 S60 V62 L77 A108V59-I105 HydrophobicContact CG1-CD1 3.83Å; V59-I105 HydrophobicContact CG1-CG1 4.48Å; S60-I105 PolarHBondContact O-N 2.92Å; V62-I105 HydrophobicContact CG2-CD1 3.78Å; L77-I105 HydrophobicContact CD2-CD1 3.09Å; L77-I105 HydrophobicContact CG-CD1 4.4Å; I105-A108 HydrophobicContact CG2-CB 3.98Å
106Q88.5Confident95.3Very high174 Ų17457.4 Ų57.481%0.81331%0.312SS*.SBendtrans-88.6130-179.8-62.5-177.18.100109.4A108Q106-A108 PolarHBondContact O-N 2.96Å
107E81.1Confident95.4Very high197 Ų19754.5 Ų54.592%0.92130%0.296SS*.SBendtrans50.546.1167.1-58.6-173.4171.800115.4
108A87.3Confident95.5Very high15 Ų1552.8 Ų52.812%0.12429%0.287CS..PPolyproline II helixtrans-66.7134.4177.300000112V59 I105 Q106V59-A108 HydrophobicContact CB-CB 4.42Å; V59-A108 WeakPolarHBondContact O-CB 3.5Å; I105-A108 HydrophobicContact CG2-CB 3.98Å; Q106-A108 PolarHBondContact O-N 2.96Å
109P93.1Very high95.3Very high70 Ų7050.3 Ų50.346%0.45527%0.273SS..PPolyproline II helixtrans-61.3162.7167.627.2-36.7000111.5L89 V111L89-P109 HydrophobicContact CD2-CG 3.57Å; P109-V111 HydrophobicContact CG-CG1 4.48Å; P109-V111 PolarHBondContact O-N 3.4Å
110T95.6Very high94.8Very high41 Ų4151.1 Ų51.125%0.25227%0.272SS..EExtended strand (participates in β ladder)trans-70.9126.3172.3-64.50000110.4V57 K58 T140V57-T110 CarbonylContact O-C 3.54Å; V57-T110 WeakPolarHBondContact O-CA 3.43Å; K58-T110 WeakPolarHBondContact CE-OG1 3.43Å; K58-T110 WeakPolarHBondContact CG-OG1 3.38Å; T110-T140 HydrophobicContact CG2-CG2 4.03Å
111V97Very high94.6Very high3 Ų347.3 Ų47.32%0.01825%0.253CS..EExtended strand (participates in β ladder)trans-132155.4-174.8-64.40000111.3S56 V57 V59 L89 P109 V114S56-V111 WeakPolarHBondContact CA-O 3.26Å; V57-V111 HydrophobicContact CG2-CG2 4.08Å; V57-V111 PolarHBondContact N-O 3.08Å; V57-V111 PolarHBondContact O-N 2.95Å; V59-V111 HydrophobicContact CG2-CG2 4.29Å; L89-V111 HydrophobicContact CD1-CG1 4.43Å; L89-V111 HydrophobicContact CD2-CG1 4.29Å; P109-V111 HydrophobicContact CG-CG1 4.48Å; P109-V111 PolarHBondContact O-N 3.4Å; V111-V114 HydrophobicContact CG2-CG1 3.73Å
112D97.1Very high94.4Very high21 Ų2148 Ų4811%0.11226%0.258CS..EExtended strand (participates in β ladder)trans-105-26.5173.7-60.2-46.5000111.2F53 S56 C80 R81 K82F53-D112 WeakPolarHBondContact CD2-O 3.34Å; F53-D112 PolarHBondContact N-O 3.39Å; S56-D112 WeakPolarHBondContact CA-OD1 3.5Å; S56-D112 VanDerWaalsContact CB-OD1 3.31Å; S56-D112 WeakPolarHBondContact CB-OD1 3.4Å; S56-D112 PolarHBondContact N-OD1 3.16Å; S56-D112 PolarHBondContact OG-OD1 3.27Å; C80-D112 PolarHBondContact O-N 3.19Å; R81-D112 VanDerWaalsContact CG-OD2 3.25Å; R81-D112 WeakPolarHBondContact CG-OD2 3.32Å; K82-D112 WeakPolarHBondContact CG-OD2 3.48Å; K82-D112 PolarHBondContact N-OD2 2.84Å
113K97.9Very high94.3Very high27 Ų2746.2 Ų46.212%0.11724%0.244CC..EExtended strand (participates in β ladder)trans-131.3145.5178.5-47.9178.5-169.4168.10110L50 L51 E52 G79 C80 K82 D83 F86L50-K113 HydrophobicContact CD1-CB 4.33Å; L51-K113 CarbonylContact O-C 3.52Å; L51-K113 WeakPolarHBondContact O-CA 3.41Å; E52-K113 HydrophobicContact CB-CD 4.49Å; E52-K113 HydrophobicContact CB-CG 4.04Å; E52-K113 HydrophobicContact CG-CD 4.38Å; E52-K113 HydrophobicContact CG-CG 3.99Å; E52-K113 VanDerWaalsContact OE1-CE 3.3Å; E52-K113 WeakPolarHBondContact OE1-CE 3.5Å; E52-K113 IonicContact OE1-NZ 2.89Å; G79-K113 WeakPolarHBondContact CA-O 3.42Å; C80-K113 PolarHBondContact N-O 2.62Å; C80-K113 PolarHBondContact O-N 2.88Å; C80-K113 VanDerWaalsContact O-N 3.17Å; K82-K113 WeakPolarHBondContact O-CE 3.44Å; K82-K113 PolarHBondContact O-NZ 2.89Å; D83-K113 IonicContact OD1-NZ 2.78Å; D83-K113 PolarHBondContact OD1-NZ 2.93Å; F86-K113 HydrophobicContact CE1-CB 4.22Å; F86-K113 HydrophobicContact CZ-CB 4.1Å
114V97.9Very high94.1Very high1 Ų153.1 Ų53.11%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-130140171.8-670000110.8L50 L51 F53 V59 L77 E78 L89 V111L50-V114 CarbonylContact C-O 3.5Å; L50-V114 WeakPolarHBondContact CA-O 3.42Å; L50-V114 WeakPolarHBondContact CD1-O 3.44Å; L51-V114 HydrophobicContact CB-CG2 3.82Å; L51-V114 HydrophobicContact CD1-CG2 4.15Å; L51-V114 HydrophobicContact CG-CG2 4.39Å; L51-V114 PolarHBondContact N-O 2.88Å; L51-V114 PolarHBondContact O-N 3.37Å; F53-V114 HydrophobicContact CE2-CB 4.3Å; F53-V114 HydrophobicContact CE2-CG1 3.92Å; F53-V114 HydrophobicContact CE2-CG2 3.55Å; F53-V114 HydrophobicContact CZ-CG2 3.69Å; V59-V114 HydrophobicContact CG2-CG1 3.96Å; L77-V114 HydrophobicContact CD1-CB 4.19Å; E78-V114 CarbonylContact O-C 3.57Å; E78-V114 VanDerWaalsContact O-CA 3.26Å; E78-V114 WeakPolarHBondContact O-CA 3.41Å; L89-V114 HydrophobicContact CD1-CG1 4.21Å; V111-V114 HydrophobicContact CG2-CG1 3.73Å
115K98.3Very high94Very high47 Ų4753.9 Ų53.920%0.20428%0.275CS..EExtended strand (participates in β ladder)trans-125122.4178.8-171.5-178.5-179.5-175.20109.4W48 V49 L50 E78 F86 L117W48-K115 HydrophobicContact CB-CG 4.45Å; V49-K115 CarbonylContact O-C 3.58Å; V49-K115 VanDerWaalsContact O-CA 3.32Å; V49-K115 WeakPolarHBondContact O-CA 3.48Å; L50-K115 HydrophobicContact CD1-CB 3.98Å; L50-K115 HydrophobicContact CD1-CG 4.45Å; E78-K115 HydrophobicContact CB-CB 4.48Å; E78-K115 PolarHBondContact N-O 2.93Å; E78-K115 PolarHBondContact O-N 2.77Å; F86-K115 HydrophobicContact CD1-CB 4.01Å; F86-K115 HydrophobicContact CE1-CB 3.75Å; F86-K115 HydrophobicContact CZ-CB 4.35Å; K115-L117 HydrophobicContact CD-CD1 4.41Å; K115-L117 HydrophobicContact CD-CG 4.41Å; K115-L117 HydrophobicContact CG-CG 4.45Å
116I98.4Very high94Very high2 Ų253.9 Ų53.91%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-96.5118.3170.9-54.8166.7000106.9W48 V49 V62 C75 R76 L77 F92 F118 L133 I135W48-I116 CarbonylContact C-O 3.58Å; W48-I116 WeakPolarHBondContact CA-O 3.46Å; W48-I116 VanDerWaalsContact CB-O 3.24Å; W48-I116 WeakPolarHBondContact CB-O 3.47Å; V49-I116 PolarHBondContact N-O 3.08Å; V49-I116 PolarHBondContact O-N 3.2Å; V62-I116 HydrophobicContact CG1-CD1 4.18Å; C75-I116 HydrophobicContact CB-CG2 4.41Å; R76-I116 WeakPolarHBondContact O-CA 3.36Å; L77-I116 HydrophobicContact CD1-CD1 4.49Å; L77-I116 HydrophobicContact CD1-CG1 3.52Å; F92-I116 HydrophobicContact CZ-CG2 4.21Å; I116-F118 HydrophobicContact CB-CE1 4.46Å; I116-F118 HydrophobicContact CB-CZ 4.4Å; I116-F118 HydrophobicContact CG2-CD1 4.06Å; I116-F118 HydrophobicContact CG2-CE1 3.49Å; I116-F118 VanDerWaalsContact CG2-CE1 3.49Å; I116-F118 HydrophobicContact CG2-CZ 3.89Å; I116-L133 HydrophobicContact CD1-CD1 3.58Å; I116-L133 HydrophobicContact CD1-CD2 4.1Å; I116-I135 HydrophobicContact CD1-CD1 4.34Å
117L98.1Very high94.4Very high18 Ų1848.5 Ų48.59%0.09425%0.25CC..EExtended strand (participates in β ladder)trans-99.1127.5171-69.5127.9000109.5W48 C75 R76 E78 K115W48-L117 HydrophobicContact CB-CD2 4.43Å; W48-L117 HydrophobicContact CB-CG 4.44Å; C75-L117 CarbonylContact C-O 3.55Å; C75-L117 VanDerWaalsContact CA-O 3.24Å; C75-L117 WeakPolarHBondContact CA-O 3.39Å; R76-L117 HydrophobicContact CB-CB 4.38Å; R76-L117 PolarHBondContact N-O 2.56Å; R76-L117 PolarHBondContact O-N 2.81Å; E78-L117 HydrophobicContact CG-CD1 3.87Å; E78-L117 WeakPolarHBondContact OE1-CD1 3.43Å; E78-L117 VanDerWaalsContact OE2-CD1 3.3Å; E78-L117 WeakPolarHBondContact OE2-CD1 3.28Å; K115-L117 HydrophobicContact CD-CD1 4.41Å; K115-L117 HydrophobicContact CD-CG 4.41Å; K115-L117 HydrophobicContact CG-CG 4.45Å
118F97.4Very high95.2Very high3 Ų339.2 Ų39.21%0.01321%0.206CC..EExtended strand (participates in β ladder)trans-9592.5173-51.2-62000108.2W39 R46 Q47 V49 L64 F66 A72 I116 N120 I128 V130W39-F118 HydrophobicContact CH2-CD2 4.22Å; W39-F118 AromaticContact CH2-CE2 3.76Å; W39-F118 HydrophobicContact CH2-CE2 3.76Å; W39-F118 HydrophobicContact CZ3-CD2 4.26Å; W39-F118 AromaticContact CZ3-CE2 3.49Å; W39-F118 HydrophobicContact CZ3-CE2 3.49Å; W39-F118 VanDerWaalsContact CZ3-CE2 3.49Å; W39-F118 HydrophobicContact CZ3-CZ 4.2Å; R46-F118 WeakPolarHBondContact CA-O 3.46Å; Q47-F118 HydrophobicContact CB-CD2 3.98Å; Q47-F118 WeakPolarHBondContact O-CB 3.26Å; Q47-F118 VanDerWaalsContact O-CD2 3.28Å; Q47-F118 WeakPolarHBondContact O-CD2 3.46Å; Q47-F118 PolarHBondContact O-N 2.81Å; V49-F118 HydrophobicContact CG2-CE2 3.79Å; V49-F118 HydrophobicContact CG2-CZ 3.94Å; L64-F118 HydrophobicContact CD1-CE1 4.44Å; F66-F118 HydrophobicContact CE1-CD1 4.23Å; F66-F118 HydrophobicContact CE1-CE1 4Å; F66-F118 HydrophobicContact CZ-CD1 4.14Å; F66-F118 AromaticContact CZ-CE1 3.84Å; F66-F118 HydrophobicContact CZ-CE1 3.84Å; A72-F118 HydrophobicContact CB-CB 3.83Å; A72-F118 HydrophobicContact CB-CD1 3.67Å; A72-F118 HydrophobicContact CB-CG 4.13Å; I116-F118 HydrophobicContact CB-CE1 4.46Å; I116-F118 HydrophobicContact CB-CZ 4.4Å; I116-F118 HydrophobicContact CG2-CD1 4.06Å; I116-F118 HydrophobicContact CG2-CE1 3.49Å; I116-F118 VanDerWaalsContact CG2-CE1 3.49Å; I116-F118 HydrophobicContact CG2-CZ 3.89Å; F118-N120 VanDerWaalsContact C-N 3.33Å; F118-N120 PolarHBondContact O-N 3.32Å; F118-I128 HydrophobicContact CB-CD1 3.99Å; F118-I128 HydrophobicContact CB-CG1 3.87Å; F118-I128 HydrophobicContact CD2-CB 4.37Å; F118-I128 HydrophobicContact CD2-CG1 4.11Å; F118-I128 HydrophobicContact CD2-CG2 3.96Å; F118-I128 HydrophobicContact CE2-CG2 4.11Å; F118-I128 HydrophobicContact CG-CD1 4.4Å; F118-I128 HydrophobicContact CG-CG1 4.11Å; F118-I128 HydrophobicContact CG-CG2 4.23Å; F118-I128 HydrophobicContact CZ-CG2 4.49Å; F118-V130 HydrophobicContact CZ-CG2 4.46Å
119E91.7Very high95.8Very high45 Ų4538.5 Ų38.521%0.2120%0.201CC..EExtended strand (participates in β ladder)trans-70.8-29-165.5-65.5-169.6125.400113.3A74 R76A74-E119 PolarHBondContact O-N 3.29Å; R76-E119 IonicContact CZ-OE1 2.84Å; R76-E119 IonicContact NH1-OE1 3.17Å; R76-E119 PolarHBondContact NH1-OE1 2.84Å
120N88.6Confident96Very high95 Ų9535.2 Ų35.251%0.50818%0.179SC..EExtended strand (participates in β ladder)trans-148.1139.8178.5-59.3-75.4000109.3A72 K73 F118A72-N120 CarbonylContact C-O 3.53Å; A72-N120 VanDerWaalsContact CA-O 3.28Å; A72-N120 WeakPolarHBondContact CA-O 3.11Å; K73-N120 HydrophobicContact CB-CB 4.16Å; K73-N120 HydrophobicContact CD-CB 4.26Å; K73-N120 PolarHBondContact N-O 3Å; F118-N120 VanDerWaalsContact C-N 3.33Å; F118-N120 PolarHBondContact O-N 3.32Å
121S93.1Very high96.1Very high16 Ų1635.7 Ų35.711%0.11218%0.176CC..EExtended strand (participates in β ladder)trans-100.6157.8173.9-173.20000112.2S71 K73 D123 R127S71-S121 CarbonylContact O-C 3.56Å; S71-S121 WeakPolarHBondContact O-CA 3.47Å; K73-S121 WeakPolarHBondContact CE-O 3.02Å; K73-S121 PolarHBondContact NZ-O 3.19Å; K73-S121 VanDerWaalsContact NZ-O 3.13Å; S121-D123 VanDerWaalsContact C-N 3.34Å; S121-D123 PolarHBondContact OG-N 3.29Å; S121-R127 WeakPolarHBondContact CB-O 3.41Å; S121-R127 PolarHBondContact OG-O 3.3Å
122T94Very high96.2Very high37 Ų3737.2 Ų37.223%0.22719%0.187CC..SBendtrans-75.8-23163.356.10000112.6G69 F70 S71 K73 D96G69-T122 PolarHBondContact O-OG1 2.97Å; F70-T122 PolarHBondContact N-OG1 3.38Å; S71-T122 PolarHBondContact N-OG1 2.89Å; S71-T122 PolarHBondContact O-N 2.78Å; S71-T122 PolarHBondContact O-OG1 2.87Å; K73-T122 HydrophobicContact CD-CG2 4.44Å; K73-T122 HydrophobicContact CG-CG2 3.72Å; D96-T122 HydrophobicContact CB-CG2 3.99Å; D96-T122 PolarHBondContact OD1-OG1 3.22Å; D96-T122 VanDerWaalsContact OD1-OG1 3.1Å; D96-T122 WeakPolarHBondContact OD2-CB 3.43Å; D96-T122 PolarHBondContact OD2-OG1 3.07Å
123D96.3Very high96.3Very high22 Ų2236.4 Ų36.412%0.11818%0.183CC..SBendtrans-71.8139.1171.5176.561.9000111.4G69 F70 S121 F125 G126 R127G69-D123 WeakPolarHBondContact O-CA 3.37Å; G69-D123 WeakPolarHBondContact O-CB 3.47Å; G69-D123 PolarHBondContact O-N 2.82Å; F70-D123 HydrophobicContact CD1-CB 3.87Å; F70-D123 HydrophobicContact CE1-CB 4.29Å; F70-D123 HydrophobicContact CG-CB 4.49Å; S121-D123 VanDerWaalsContact C-N 3.34Å; S121-D123 PolarHBondContact OG-N 3.29Å; D123-F125 PolarHBondContact O-N 2.92Å; D123-F125 WeakPolarHBondContact OD2-CA 3.38Å; D123-F125 WeakPolarHBondContact OD2-CB 3.42Å; D123-F125 PolarHBondContact OD2-N 3.06Å; D123-G126 PolarHBondContact O-N 3.4Å; D123-G126 VanDerWaalsContact O-N 3.16Å; D123-G126 PolarHBondContact OD2-N 3.03Å; D123-R127 HydrophobicContact CB-CB 4.41Å; D123-R127 IonicContact OD1-CZ 2.88Å; D123-R127 IonicContact OD1-NE 3.57Å; D123-R127 IonicContact OD1-NH2 3.67Å; D123-R127 PolarHBondContact OD1-NH2 3.34Å; D123-R127 WeakPolarHBondContact OD2-CB 3.36Å; D123-R127 IonicContact OD2-CZ 2.74Å; D123-R127 PolarHBondContact OD2-N 3.13Å; D123-R127 VanDerWaalsContact OD2-N 3.08Å; D123-R127 IonicContact OD2-NE 3.6Å; D123-R127 PolarHBondContact OD2-NE 3.03Å; D123-R127 IonicContact OD2-NH2 2.78Å
124L93.2Very high96.2Very high168 Ų16836.4 Ų36.488%0.8818%0.184SC*.THydrogen-bonded Turntrans-67.1-19.1-178.4-64.3177.7000113.8
125F94.2Very high96.2Very high118 Ų11836.3 Ų36.352%0.51818%0.184SC..THydrogen-bonded Turntrans-102.27.7178.6-56.1-79.6000112.8Q43 G44 D123 R127Q43-F125 WeakPolarHBondContact CA-O 3.31Å; Q43-F125 HydrophobicContact CB-CB 4.02Å; Q43-F125 WeakPolarHBondContact CB-O 3.36Å; G44-F125 PolarHBondContact N-O 3.25Å; D123-F125 PolarHBondContact O-N 2.92Å; D123-F125 WeakPolarHBondContact OD2-CA 3.38Å; D123-F125 WeakPolarHBondContact OD2-CB 3.42Å; D123-F125 PolarHBondContact OD2-N 3.06Å; F125-R127 VanDerWaalsContact C-N 3.28Å; F125-R127 PolarHBondContact O-N 3.45Å
126G95.2Very high96.2Very high11 Ų1135.2 Ų35.211%0.11318%0.18CC..  trans77.58.917800000114.5G44 D123G44-G126 CarbonylContact O-C 3.59Å; G44-G126 VanDerWaalsContact O-O 3.08Å; D123-G126 PolarHBondContact O-N 3.4Å; D123-G126 VanDerWaalsContact O-N 3.16Å; D123-G126 PolarHBondContact OD2-N 3.03Å
127R97.3Very high96.1Very high62 Ų6235.1 Ų35.123%0.23418%0.18CC..  trans-69.6147.8-178.9-65.4171.9-67.4175.92.6111.3S41 Q43 F70 S121 D123 F125S41-R127 WeakPolarHBondContact OG-CA 3.49Å; Q43-R127 HydrophobicContact CB-CG 4.38Å; F70-R127 HydrophobicContact CD1-CB 4.05Å; F70-R127 HydrophobicContact CE1-CB 4.5Å; S121-R127 WeakPolarHBondContact CB-O 3.41Å; S121-R127 PolarHBondContact OG-O 3.3Å; D123-R127 HydrophobicContact CB-CB 4.41Å; D123-R127 IonicContact OD1-CZ 2.88Å; D123-R127 IonicContact OD1-NE 3.57Å; D123-R127 IonicContact OD1-NH2 3.67Å; D123-R127 PolarHBondContact OD1-NH2 3.34Å; D123-R127 WeakPolarHBondContact OD2-CB 3.36Å; D123-R127 IonicContact OD2-CZ 2.74Å; D123-R127 PolarHBondContact OD2-N 3.13Å; D123-R127 VanDerWaalsContact OD2-N 3.08Å; D123-R127 IonicContact OD2-NE 3.6Å; D123-R127 PolarHBondContact OD2-NE 3.03Å; D123-R127 IonicContact OD2-NH2 2.78Å; F125-R127 VanDerWaalsContact C-N 3.28Å; F125-R127 PolarHBondContact O-N 3.45Å
128I98.3Very high95.9Very high2 Ų239 Ų391%0.0120%0.197CC..  trans-123.9133.4174.9-63-64.7000108.7W39 S41 Q47 F66 F70 A72 F118 V130W39-I128 HydrophobicContact CH2-CG2 4.47Å; W39-I128 HydrophobicContact CZ3-CB 4.43Å; W39-I128 HydrophobicContact CZ3-CG2 3.9Å; S41-I128 PolarHBondContact N-O 2.88Å; S41-I128 PolarHBondContact OG-N 3.1Å; Q47-I128 HydrophobicContact CB-CB 4.38Å; Q47-I128 HydrophobicContact CB-CG1 3.96Å; Q47-I128 HydrophobicContact CG-CG1 4.06Å; F66-I128 HydrophobicContact CD1-CG2 4.17Å; F66-I128 HydrophobicContact CE1-CG2 3.83Å; F70-I128 WeakPolarHBondContact O-CA 3.44Å; A72-I128 HydrophobicContact CB-CD1 4.02Å; F118-I128 HydrophobicContact CB-CD1 3.99Å; F118-I128 HydrophobicContact CB-CG1 3.87Å; F118-I128 HydrophobicContact CD2-CB 4.37Å; F118-I128 HydrophobicContact CD2-CG1 4.11Å; F118-I128 HydrophobicContact CD2-CG2 3.96Å; F118-I128 HydrophobicContact CE2-CG2 4.11Å; F118-I128 HydrophobicContact CG-CD1 4.4Å; F118-I128 HydrophobicContact CG-CG1 4.11Å; F118-I128 HydrophobicContact CG-CG2 4.23Å; F118-I128 HydrophobicContact CZ-CG2 4.49Å; I128-V130 HydrophobicContact CG2-CG2 3.84Å
129V98.3Very high95.7Very high0 Ų043.3 Ų43.30%022%0.216CC..EExtended strand (participates in β ladder)trans-123122.6174.9-177.20000109.2C38 W39 N40 F66 Q67 F70 Y131C38-V129 HydrophobicContact CB-CG1 3.84Å; W39-V129 WeakPolarHBondContact O-CA 3.2Å; N40-V129 HydrophobicContact CB-CG2 4.28Å; F66-V129 VanDerWaalsContact CA-O 3.3Å; F66-V129 WeakPolarHBondContact CA-O 3.42Å; Q67-V129 HydrophobicContact CB-CB 3.73Å; Q67-V129 HydrophobicContact CB-CG1 3.77Å; Q67-V129 PolarHBondContact N-O 2.89Å; F70-V129 HydrophobicContact CB-CB 3.91Å; F70-V129 HydrophobicContact CB-CG2 3.7Å; F70-V129 HydrophobicContact CD1-CG2 3.93Å; F70-V129 HydrophobicContact CG-CB 4.45Å; F70-V129 HydrophobicContact CG-CG2 3.8Å; F70-V129 PolarHBondContact O-N 2.98Å; V129-Y131 HydrophobicContact CG1-CE2 4.29Å
130V98.5Very high95.4Very high0 Ų043 Ų430%022%0.217CC..EExtended strand (participates in β ladder)trans-125.1121-179-178.30000109.3M30 C38 W39 L64 Q65 F66 F118 I128 S132 L133M30-V130 HydrophobicContact CG-CB 4.04Å; M30-V130 HydrophobicContact CG-CG1 3.88Å; M30-V130 HydrophobicContact SD-CB 3.87Å; M30-V130 HydrophobicContact SD-CG1 3.82Å; M30-V130 HydrophobicContact SD-CG2 4.49Å; C38-V130 WeakPolarHBondContact CA-O 3.3Å; C38-V130 WeakPolarHBondContact CB-O 3.47Å; W39-V130 HydrophobicContact CE3-CB 4.08Å; W39-V130 HydrophobicContact CE3-CG2 3.87Å; W39-V130 HydrophobicContact CZ3-CG2 4.04Å; W39-V130 PolarHBondContact N-O 3.21Å; W39-V130 PolarHBondContact O-N 2.74Å; L64-V130 HydrophobicContact CD2-CG1 3.75Å; L64-V130 HydrophobicContact CD2-CG2 4.38Å; Q65-V130 WeakPolarHBondContact O-CA 3.3Å; F66-V130 HydrophobicContact CD1-CG2 3.9Å; F66-V130 HydrophobicContact CE1-CG2 3.78Å; F118-V130 HydrophobicContact CZ-CG2 4.46Å; I128-V130 HydrophobicContact CG2-CG2 3.84Å; V130-S132 WeakPolarHBondContact CG1-O 3.16Å; V130-L133 HydrophobicContact CG1-CB 4.3Å
131Y98.4Very high94.1Very high51 Ų5147.3 Ų47.320%0.226%0.255CS..EExtended strand (participates in β ladder)trans-84.5-39.4174.3-74.4-80.5000111.8F29 E35 T37 C38 Q65 Q67 V129F29-Y131 VanDerWaalsContact O-O 3.11Å; E35-Y131 VanDerWaalsContact O-CD1 3.3Å; E35-Y131 WeakPolarHBondContact O-CD1 3.44Å; E35-Y131 WeakPolarHBondContact O-CE1 3.32Å; T37-Y131 VanDerWaalsContact O-CD1 3.31Å; T37-Y131 WeakPolarHBondContact O-CD1 3.39Å; C38-Y131 HydrophobicContact CB-CD1 3.72Å; C38-Y131 HydrophobicContact CB-CE1 3.78Å; C38-Y131 HydrophobicContact CB-CG 4.14Å; Q65-Y131 PolarHBondContact O-N 3.32Å; Q67-Y131 HydrophobicContact CB-CD2 4.45Å; Q67-Y131 HydrophobicContact CB-CE2 3.73Å; Q67-Y131 HydrophobicContact CG-CE2 4.08Å; Q67-Y131 PolarHBondContact OE1-OH 2.6Å; V129-Y131 HydrophobicContact CG1-CE2 4.29Å
132S98Very high94.1Very high35 Ų3548.9 Ų48.925%0.24526%0.262CS..EExtended strand (participates in β ladder)trans-141.9133.7-177-175.90000110.8M30 L64 Q65 V130M30-S132 WeakPolarHBondContact O-CA 3.33Å; L64-S132 CarbonylContact C-O 3.6Å; L64-S132 WeakPolarHBondContact CA-O 3.43Å; Q65-S132 PolarHBondContact N-O 2.83Å; V130-S132 WeakPolarHBondContact CG1-O 3.16Å
133L98.3Very high94.1Very high4 Ų449.5 Ų49.52%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-132.4125.4171.5169.660.6000109M30 F31 V49 L51 V62 K63 L64 I116 V130 I135M30-L133 HydrophobicContact CB-CB 4.02Å; M30-L133 PolarHBondContact O-N 2.93Å; M30-L133 HydrophobicContact SD-CB 4.28Å; M30-L133 HydrophobicContact SD-CD2 4.26Å; F31-L133 WeakPolarHBondContact CD1-O 3.26Å; F31-L133 HydrophobicContact CE1-CB 4.08Å; F31-L133 HydrophobicContact CE1-CD2 4.01Å; F31-L133 HydrophobicContact CE1-CG 4.1Å; F31-L133 HydrophobicContact CZ-CD2 4.31Å; V49-L133 HydrophobicContact CB-CD2 4.31Å; V49-L133 HydrophobicContact CG1-CD2 3.82Å; V49-L133 HydrophobicContact CG2-CD2 4.44Å; L51-L133 HydrophobicContact CD1-CD2 4.26Å; V62-L133 HydrophobicContact CG1-CD1 4.21Å; K63-L133 WeakPolarHBondContact O-CA 3.48Å; L64-L133 HydrophobicContact CD2-CB 4.05Å; L64-L133 HydrophobicContact CD2-CD1 3.6Å; L64-L133 HydrophobicContact CD2-CG 4.31Å; L64-L133 HydrophobicContact CG-CD1 3.84Å; I116-L133 HydrophobicContact CD1-CD1 3.58Å; I116-L133 HydrophobicContact CD1-CD2 4.1Å; V130-L133 HydrophobicContact CG1-CB 4.3Å; L133-I135 HydrophobicContact CD1-CD1 4.16Å
134D97.6Very high94Very high27 Ų2751.1 Ų51.114%0.14427%0.272CS..EExtended strand (participates in β ladder)trans-134151.8171.3-162.119.2000111.9Q4 K63 L136Q4-D134 VanDerWaalsContact CG-OD1 3.26Å; Q4-D134 WeakPolarHBondContact CG-OD1 3.3Å; Q4-D134 VanDerWaalsContact NE2-CG 3.26Å; Q4-D134 PolarHBondContact NE2-OD1 3.17Å; Q4-D134 PolarHBondContact NE2-OD2 3.31Å; K63-D134 HydrophobicContact CB-CB 4.19Å; K63-D134 PolarHBondContact N-O 3.39Å; K63-D134 PolarHBondContact O-N 2.75Å; D134-L136 WeakPolarHBondContact OD2-CD2 3.39Å
135I97.7Very high94.1Very high0 Ų044.2 Ų44.20%024%0.236CC..EExtended strand (participates in β ladder)trans-126.7120.8176.7-53.5-68.4000107.7L5 I6 L51 F53 V59 V62 I116 L133L5-I135 HydrophobicContact CB-CG2 4.45Å; L5-I135 WeakPolarHBondContact CB-O 3.32Å; L5-I135 HydrophobicContact CD1-CG2 4.02Å; L5-I135 PolarHBondContact N-O 3.43Å; I6-I135 HydrophobicContact CD1-CG1 4.1Å; I6-I135 HydrophobicContact CG1-CB 4.29Å; I6-I135 HydrophobicContact CG1-CG1 4.28Å; L51-I135 HydrophobicContact CD1-CD1 4.41Å; L51-I135 HydrophobicContact CD1-CG1 3.71Å; F53-I135 HydrophobicContact CZ-CB 4.47Å; F53-I135 HydrophobicContact CZ-CG2 4.25Å; V59-I135 HydrophobicContact CB-CG2 4.39Å; V59-I135 HydrophobicContact CG1-CG2 3.61Å; V59-I135 HydrophobicContact CG2-CG2 3.96Å; V62-I135 HydrophobicContact CB-CD1 4.21Å; V62-I135 HydrophobicContact CG1-CD1 4.09Å; V62-I135 HydrophobicContact CG2-CD1 3.65Å; I116-I135 HydrophobicContact CD1-CD1 4.34Å; L133-I135 HydrophobicContact CD1-CD1 4.16Å
136L97.6Very high94.1Very high24 Ų2439.6 Ų39.613%0.12622%0.219CC..EExtended strand (participates in β ladder)trans-102.2151.8175.2-51.1-172.3000111.3S3 Q4 S60 E61 K63 D134S3-L136 CarbonylContact O-C 3.51Å; S3-L136 VanDerWaalsContact O-CA 3.32Å; S3-L136 WeakPolarHBondContact O-CA 3.46Å; Q4-L136 HydrophobicContact CB-CD2 4.25Å; S60-L136 PolarHBondContact N-O 3.2Å; S60-L136 PolarHBondContact OG-O 3.32Å; E61-L136 HydrophobicContact CB-CB 4.03Å; E61-L136 HydrophobicContact CB-CG 4.43Å; E61-L136 PolarHBondContact N-O 2.76Å; E61-L136 PolarHBondContact O-N 3.12Å; E61-L136 WeakPolarHBondContact OE2-CD1 3.3Å; K63-L136 HydrophobicContact CD-CD1 4.35Å; D134-L136 WeakPolarHBondContact OD2-CD2 3.39Å
137G96.3Very high94Very high0 Ų041.5 Ų41.50%023%0.226CC..EExtended strand (participates in β ladder)trans163.9-154.6177.100000113.1A2 S3 K58 S60A2-G137 WeakPolarHBondContact CA-O 3.47Å; S3-G137 PolarHBondContact N-O 2.98Å; S3-G137 PolarHBondContact O-N 3.34Å; S3-G137 PolarHBondContact OG-O 3.01Å; K58-G137 CarbonylContact O-C 3.53Å; K58-G137 WeakPolarHBondContact O-CA 3.39Å; S60-G137 WeakPolarHBondContact OG-CA 3.39Å; S60-G137 PolarHBondContact OG-N 2.74Å
138E95.3Very high93.8Very high98 Ų9840 Ų4046%0.45823%0.225SC..EExtended strand (participates in β ladder)trans-123.7132.6-177-59.3-169.4153.100110.8M1 V57 K58M1-E138 PolarHBondContact N-OE1 2.97Å; V57-E138 CarbonylContact C-O 3.51Å; V57-E138 WeakPolarHBondContact CA-O 3.32Å; K58-E138 PolarHBondContact N-O 2.87Å; K58-E138 PolarHBondContact O-N 3.32Å
139K92.9Very high93.4Very high95 Ų9542.9 Ų42.941%0.41324%0.242SC..EExtended strand (participates in β ladder)trans-73.4127.7171.2-70.2161.6172.3-174.30108L5 Q55 V57L5-K139 HydrophobicContact CD2-CG 4.01Å; Q55-K139 VanDerWaalsContact NE2-CG 3.27Å; V57-K139 HydrophobicContact CG1-CG 4.36Å
140T84.1Confident93Very high39 Ų3946.5 Ų46.524%0.23926%0.262CS..  trans-91111.3175.256.60000108.5S56 K58 T110S56-T140 WeakPolarHBondContact CB-OG1 3.4Å; S56-T140 PolarHBondContact O-N 2.95Å; S56-T140 PolarHBondContact O-OG1 3.24Å; K58-T140 HydrophobicContact CD-CG2 4.3Å; K58-T140 HydrophobicContact CG-CG2 3.94Å; T110-T140 HydrophobicContact CG2-CG2 4.03Å
141S61.7Low92.5Very high185 Ų18550.7 Ų50.7100%1.29429%0.285SS*.  trans-63.30173.9-52.70000113.2

Retrieved 141 of 141 residues in 1687.2 ms (Link to these results)

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