A0A087X6M2_POEFO Loading...

LIM domain only protein 3

AlphaFold DB (M3ZS84), UniProt , Accession A0A087X6M2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 156 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
1M37.2Very low70.1Confident239 Ų239128.5 Ų128.5100%1.17762%0.618SS**  093.30-66.4-176.2178.100108.9K3M1-K3 PolarHBondContact O-N 3.16Å; M1-K3 VanDerWaalsContact O-N 3.12Å
2Q38.8Very low72.1Confident196 Ų196127 Ų12792%0.91661%0.612SS**  trans-74.797.6-179.4-67.7163.518.200108.2R4Q2-R4 PolarHBondContact O-N 3.07Å
3K44.9Very low73.6Confident200 Ų200122.3 Ų122.387%0.8759%0.591SS**  trans-65.6101.1171.1-74.5-175.4179.8-179.90106.6M1 E5M1-K3 PolarHBondContact O-N 3.16Å; M1-K3 VanDerWaalsContact O-N 3.12Å; K3-E5 PolarHBondContact O-N 2.89Å
4R55.4Low74.8Confident231 Ų231120.3 Ų120.387%0.87259%0.59SS**  trans-45.2117174.6-79.1-179.2174.9-175.1-2.1108.3Q2 Q6Q2-R4 PolarHBondContact O-N 3.07Å; R4-Q6 PolarHBondContact O-N 3.23Å; R4-Q6 VanDerWaalsContact O-N 3.08Å
5E59.9Low75.6Confident128 Ų128115.8 Ų115.860%0.59857%0.572SS**  trans-55.7116.2165.8-65.8175.294.300106.5K3 S7K3-E5 PolarHBondContact O-N 2.89Å; E5-S7 PolarHBondContact O-N 3.41Å
6Q76.8Confident76.1Confident110 Ų110117 Ų11751%0.51458%0.576SS.*  trans-7964.2-180-76.5-174.864.500109R4 F8 T67R4-Q6 PolarHBondContact O-N 3.23Å; R4-Q6 VanDerWaalsContact O-N 3.08Å; Q6-F8 HydrophobicContact CB-CE2 3.76Å; Q6-F8 HydrophobicContact CB-CZ 4.24Å; Q6-F8 VanDerWaalsContact O-CD2 3.27Å; Q6-F8 WeakPolarHBondContact O-CD2 3.07Å; Q6-F8 VanDerWaalsContact O-CE2 3.32Å; Q6-F8 WeakPolarHBondContact O-CE2 3.07Å; Q6-T67 PolarHBondContact O-N 2.83Å
7S87.1Confident76Confident63 Ų63117.4 Ų117.444%0.44159%0.59SS.*EExtended strand (participates in β ladder)trans-83.5130.617061.50000109E5 L65E5-S7 PolarHBondContact O-N 3.41Å; S7-L65 CarbonylContact C-O 3.58Å; S7-L65 WeakPolarHBondContact CA-O 3.36Å
8F90.9Very high76Confident66 Ų66119.7 Ų119.729%0.28960%0.604SS.*EExtended strand (participates in β ladder)trans-121139.3177.6-61-92.6000110.2Q6 L40 T64 L65 T67Q6-F8 HydrophobicContact CB-CE2 3.76Å; Q6-F8 HydrophobicContact CB-CZ 4.24Å; Q6-F8 VanDerWaalsContact O-CD2 3.27Å; Q6-F8 WeakPolarHBondContact O-CD2 3.07Å; Q6-F8 VanDerWaalsContact O-CE2 3.32Å; Q6-F8 WeakPolarHBondContact O-CE2 3.07Å; F8-L40 HydrophobicContact CB-CD2 4.12Å; F8-L40 HydrophobicContact CD1-CD2 3.71Å; F8-L40 HydrophobicContact CD2-CD2 3.39Å; F8-L40 HydrophobicContact CE1-CD2 3.88Å; F8-L40 HydrophobicContact CE2-CD2 3.55Å; F8-L40 HydrophobicContact CG-CD2 3.45Å; F8-L40 VanDerWaalsContact CG-CD2 3.45Å; F8-L40 HydrophobicContact CZ-CD2 3.8Å; F8-T64 CarbonylContact O-C 3.52Å; F8-T64 WeakPolarHBondContact O-CA 3.43Å; F8-L65 HydrophobicContact CB-CD1 3.85Å; F8-L65 HydrophobicContact CB-CG 4.19Å; F8-L65 HydrophobicContact CD2-CD1 3.9Å; F8-L65 HydrophobicContact CG-CD1 4.28Å; F8-L65 PolarHBondContact N-O 2.87Å; F8-L65 PolarHBondContact O-N 3.37Å; F8-T67 HydrophobicContact CD2-CG2 4.12Å; F8-T67 HydrophobicContact CE2-CG2 4.01Å; F8-T67 VanDerWaalsContact CE2-OG1 3.3Å; F8-T67 WeakPolarHBondContact CE2-OG1 3.39Å
9G92.6Very high76.1Confident48 Ų48115.7 Ų115.750%0.49559%0.591SS.*EExtended strand (participates in β ladder)trans-71.5144.6172.500000112S63G9-S63 CarbonylContact C-O 3.58Å; G9-S63 WeakPolarHBondContact CA-O 3.46Å
10I93.9Very high76.5Confident19 Ų19118.8 Ų118.810%0.09760%0.6CS.*  trans-105.9122.8170.4-54.6172.9000106.9L37 A39 L49 L58 S63 L65I10-L37 HydrophobicContact CG2-CB 4.22Å; I10-L37 HydrophobicContact CG2-CD1 4.29Å; I10-L37 HydrophobicContact CG2-CD2 4.08Å; I10-L37 HydrophobicContact CG2-CG 4.43Å; I10-A39 HydrophobicContact CG1-CB 4.3Å; I10-L49 HydrophobicContact CD1-CD2 4.11Å; I10-L49 HydrophobicContact CG1-CD2 4.26Å; I10-L49 HydrophobicContact CG2-CD2 4Å; I10-L58 HydrophobicContact CD1-CB 3.73Å; I10-S63 PolarHBondContact N-O 2.82Å; I10-L65 HydrophobicContact CD1-CB 4.17Å; I10-L65 HydrophobicContact CD1-CD2 4.26Å; I10-L65 HydrophobicContact CG1-CB 4.43Å; I10-L65 HydrophobicContact CG1-CD2 4.04Å; I10-L65 HydrophobicContact CG1-CG 4.29Å
11Q94Very high76.9Confident113 Ų113116.9 Ų116.953%0.52860%0.596SS.*EExtended strand (participates in β ladder)trans-110.8127.8177-66.2176.5-13.100109.7L37 K38Q11-L37 CarbonylContact O-C 3.55Å; Q11-L37 WeakPolarHBondContact O-CA 3.49Å; Q11-K38 HydrophobicContact CB-CB 4.4Å; Q11-K38 PolarHBondContact N-O 2.84Å; Q11-K38 PolarHBondContact O-N 3.35Å
12M93.1Very high79.5Confident111 Ų111109.5 Ų109.555%0.54756%0.557SS.*EExtended strand (participates in β ladder)trans-87.4129.1169.9-175.3176.9-79.300109.5Y35 L37M12-Y35 HydrophobicContact CG-CD1 4.44Å; M12-Y35 HydrophobicContact SD-CD1 4.41Å; M12-L37 HydrophobicContact CB-CD2 4.11Å; M12-L37 HydrophobicContact CE-CD2 4.16Å; M12-L37 HydrophobicContact CG-CD2 4.36Å
13L91.9Very high82.2Confident66 Ų66102.4 Ų102.435%0.34654%0.537SS..EExtended strand (participates in β ladder)trans-126.1143.2-178.3-57.4175.7000109.9Y35 L36 K38 Y43L13-Y35 CarbonylContact O-C 3.58Å; L13-Y35 WeakPolarHBondContact O-CA 3.34Å; L13-L36 HydrophobicContact CB-CD1 3.99Å; L13-L36 HydrophobicContact CB-CG 4.34Å; L13-L36 HydrophobicContact CD1-CD1 4.05Å; L13-L36 HydrophobicContact CG-CD1 4.41Å; L13-L36 PolarHBondContact N-O 3.35Å; L13-L36 PolarHBondContact O-N 3.47Å; L13-K38 HydrophobicContact CD1-CB 3.92Å; L13-K38 HydrophobicContact CD1-CD 4.25Å; L13-Y43 HydrophobicContact CD1-CE1 4.38Å
14T90.2Very high84.7Confident94 Ų9493 Ų9358%0.57750%0.496SS*.EExtended strand (participates in β ladder)trans-80.6135.3169.349.60000110.6Q16 Y35T14-Q16 PolarHBondContact O-N 3.48Å; T14-Y35 HydrophobicContact CG2-CD1 3.82Å; T14-Y35 HydrophobicContact CG2-CE1 3.56Å
15V86.7Confident86.6Confident53 Ų5383.6 Ų83.632%0.32147%0.468SS..PPolyproline II helixtrans-76.2121.8173.7-177.60000109.3D33 R34 L36V15-D33 WeakPolarHBondContact CB-O 3.47Å; V15-D33 WeakPolarHBondContact CG2-O 3.13Å; V15-R34 PolarHBondContact N-O 3.22Å; V15-L36 HydrophobicContact CG2-CB 4.35Å; V15-L36 HydrophobicContact CG2-CD2 3.66Å; V15-L36 HydrophobicContact CG2-CG 4.08Å
16Q84.2Confident88.3Confident135 Ų13579.6 Ų79.663%0.63146%0.461SS*.PPolyproline II helixtrans-79.6136.5173.4-67.6-179.8-0.700109.8T14 D18 A19T14-Q16 PolarHBondContact O-N 3.48Å; Q16-D18 PolarHBondContact O-N 2.86Å; Q16-A19 HydrophobicContact CB-CB 3.96Å; Q16-A19 PolarHBondContact O-N 3.03Å
17P73.9Confident89.3Confident124 Ų12476.1 Ų76.181%0.80545%0.449SS*.THydrogen-bonded Turntrans-62.8-29-176.322.2-30.7000113.4
18D77Confident89.6Confident158 Ų15880.1 Ų80.185%0.84547%0.465SS*.THydrogen-bonded Turntrans-94-2.7-177.7-51.6-56.7000113.8Q16Q16-D18 PolarHBondContact O-N 2.86Å
19A78.3Confident89.9Confident44 Ų4485.2 Ų85.236%0.36448%0.482SS..SBendtrans-84.5144.5-177.200000112.2Q16Q16-A19 HydrophobicContact CB-CB 3.96Å; Q16-A19 PolarHBondContact O-N 3.03Å
20K83.4Confident90Very high178 Ų17889.7 Ų89.777%0.77449%0.488SS*.PPolyproline II helixtrans-55.5127174.7-172.9175-176.7177.10110.5K22K20-K22 PolarHBondContact O-N 3.15Å
21P84.8Confident90Very high78 Ų7889 Ų8951%0.50649%0.485SS..PPolyproline II helixtrans-55.5131.4-178.3-25.732.2000112K30P21-K30 HydrophobicContact CB-CB 4.38Å; P21-K30 HydrophobicContact CB-CD 4.07Å; P21-K30 HydrophobicContact CB-CG 4.38Å
22K92.5Very high89.9Confident84 Ų8492.4 Ų92.437%0.36550%0.498SS..PPolyproline II helixtrans-86.8143.2178.4-55.6-58.9-179.1175.70110.3K20 K30 I31 L36 Y43K20-K22 PolarHBondContact O-N 3.15Å; K22-K30 WeakPolarHBondContact O-CA 3.49Å; K22-I31 HydrophobicContact CB-CD1 4.46Å; K22-I31 PolarHBondContact O-N 2.59Å; K22-L36 HydrophobicContact CB-CD2 4.31Å; K22-L36 HydrophobicContact CG-CD2 4.2Å; K22-Y43 HydrophobicContact CB-CD2 4.01Å; K22-Y43 HydrophobicContact CB-CG 4.03Å; K22-Y43 HydrophobicContact CD-CD2 4.13Å; K22-Y43 HydrophobicContact CD-CE2 3.84Å; K22-Y43 HydrophobicContact CG-CD2 4.16Å; K22-Y43 HydrophobicContact CG-CE2 4.25Å; K22-Y43 HydrophobicContact CG-CG 4.27Å
23G95.1Very high89.7Confident47 Ų4791 Ų9149%0.48549%0.492SS..BIsolated β-bridgetrans-87.1137174.500000111.2
24C97.1Very high89.7Confident2 Ų296.8 Ų96.81%0.01451%0.509CS..BIsolated β-bridgetrans-79.5126.6174.1175.90000110.8G26 N28 R29 I31 Y43 H45 C48C24-G26 VanDerWaalsContact C-N 3.31Å; C24-G26 PolarHBondContact O-N 2.96Å; C24-G26 PolarHBondContact SG-N 3.25Å; C24-G26 VanDerWaalsContact SG-N 3.41Å; C24-N28 WeakPolarHBondContact O-CA 3.33Å; C24-N28 PolarHBondContact O-N 3.33Å; C24-R29 WeakPolarHBondContact CB-O 3.41Å; C24-R29 PolarHBondContact N-O 2.88Å; C24-I31 HydrophobicContact CB-CD1 4.11Å; C24-I31 HydrophobicContact CB-CG1 3.79Å; C24-Y43 CarbonylContact C-O 3.58Å; C24-Y43 WeakPolarHBondContact CA-O 3.44Å; C24-H45 VanDerWaalsContact CB-CE1 3.41Å; C24-H45 WeakPolarHBondContact CB-CE1 3.36Å; C24-H45 VanDerWaalsContact CB-ND1 3.31Å; C24-H45 WeakPolarHBondContact CB-ND1 3.43Å; C24-H45 PolarHBondContact SG-N 3.42Å; C24-H45 VanDerWaalsContact SG-N 3.44Å; C24-H45 PolarHBondContact SG-ND1 3.38Å; C24-C48 WeakPolarHBondContact SG-CB 3.44Å; C24-C48 VanDerWaalsContact SG-SG 3.66Å
25A96.1Very high89.8Confident34 Ų3496.3 Ų96.328%0.28150%0.498SS..THydrogen-bonded Turntrans-69.7-23178.800000114.5K42 Y43 W44A25-K42 HydrophobicContact CB-CB 3.93Å; A25-K42 HydrophobicContact CB-CD 3.68Å; A25-K42 HydrophobicContact CB-CG 4.35Å; A25-Y43 PolarHBondContact N-O 3.36Å; A25-W44 HydrophobicContact CB-CD2 4.05Å; A25-W44 HydrophobicContact CB-CE3 4.08Å; A25-W44 HydrophobicContact CB-CH2 3.74Å; A25-W44 HydrophobicContact CB-CZ2 3.71Å; A25-W44 HydrophobicContact CB-CZ3 3.93Å
26G94.9Very high90.2Very high44 Ų4494.2 Ų94.245%0.45449%0.485SS..THydrogen-bonded Turntrans-80.3-39.8178.900000114.8C24C24-G26 VanDerWaalsContact C-N 3.31Å; C24-G26 PolarHBondContact O-N 2.96Å; C24-G26 PolarHBondContact SG-N 3.25Å; C24-G26 VanDerWaalsContact SG-N 3.41Å
27C96.6Very high90.7Very high38 Ų3888 Ų8826%0.25746%0.456SS..THydrogen-bonded Turntrans-119.91.6-175.670.40000114.5R29 H45C27-R29 PolarHBondContact O-N 3.43Å; C27-H45 PolarHBondContact SG-CE1 3.5Å; C27-H45 PolarHBondContact SG-ND1 3.31Å; C27-H45 VanDerWaalsContact SG-ND1 3.37Å
28N95.4Very high91.8Very high146 Ų14685.3 Ų85.378%0.78143%0.431SS*.  trans58.410.7-178.9-61.5-38000115.9C24C24-N28 WeakPolarHBondContact O-CA 3.33Å; C24-N28 PolarHBondContact O-N 3.33Å
29R95.6Very high92.6Very high174 Ų17478 Ų7866%0.65739%0.393SS*.SBendtrans-91.7157.1175.3-64.1-177.9-68.5-1740.1111.2C24 C27C24-R29 WeakPolarHBondContact CB-O 3.41Å; C24-R29 PolarHBondContact N-O 2.88Å; C27-R29 PolarHBondContact O-N 3.43Å
30K94.9Very high93.3Very high142 Ų14278 Ų7862%0.61739%0.386SS*.BIsolated β-bridgetrans-68.3135.3172.8-67.8178.8179.9176.60110.1P21 K22 K32P21-K30 HydrophobicContact CB-CB 4.38Å; P21-K30 HydrophobicContact CB-CD 4.07Å; P21-K30 HydrophobicContact CB-CG 4.38Å; K22-K30 WeakPolarHBondContact O-CA 3.49Å; K30-K32 PolarHBondContact O-N 3.29Å
31I94.5Very high93.7Very high5 Ų576.6 Ų76.63%0.02639%0.388CS..PPolyproline II helixtrans-79.6116.7174.5-54.5167.8000108.2K22 C24 D33 L36 H45K22-I31 HydrophobicContact CB-CD1 4.46Å; K22-I31 PolarHBondContact O-N 2.59Å; C24-I31 HydrophobicContact CB-CD1 4.11Å; C24-I31 HydrophobicContact CB-CG1 3.79Å; I31-D33 HydrophobicContact CG2-CB 4.38Å; I31-L36 HydrophobicContact CD1-CB 4.14Å; I31-L36 HydrophobicContact CD1-CD2 4.36Å; I31-L36 HydrophobicContact CG2-CB 3.87Å; I31-L36 HydrophobicContact CG2-CD2 4.41Å; I31-H45 WeakPolarHBondContact CA-NE2 3.37Å; I31-H45 WeakPolarHBondContact CG1-NE2 3.33Å
32K91.3Very high94.2Very high184 Ų18478.6 Ų78.680%0.839%0.388SS*.  trans-112.1-3177.2-63.2-175.7-179.2-177.80112.7K30K30-K32 PolarHBondContact O-N 3.29Å
33D89.9Confident94.4Very high82 Ų8277.8 Ų77.844%0.43938%0.383SS..SBendtrans-68.1160-178.7-57.2-30.9000111V15 I31 Y35 H45V15-D33 WeakPolarHBondContact CB-O 3.47Å; V15-D33 WeakPolarHBondContact CG2-O 3.13Å; I31-D33 HydrophobicContact CG2-CB 4.38Å; D33-Y35 WeakPolarHBondContact CB-O 3.32Å; D33-Y35 PolarHBondContact O-N 2.81Å; D33-H45 IonicContact OD2-CD2 3.25Å; D33-H45 PolarHBondContact OD2-CD2 3.32Å
34R91.1Very high94.5Very high186 Ų18676.7 Ų76.770%0.70237%0.365SS*.SBendtrans-63.6-32.8177-177.6175.5178.5177.6-0.1112.3V15V15-R34 PolarHBondContact N-O 3.22Å
35Y92.4Very high94.5Very high84 Ų8477.6 Ų77.633%0.32937%0.369SS..EExtended strand (participates in β ladder)trans-122.8149-178.5-56-78.6000110.3M12 L13 T14 D33M12-Y35 HydrophobicContact CG-CD1 4.44Å; M12-Y35 HydrophobicContact SD-CD1 4.41Å; L13-Y35 CarbonylContact O-C 3.58Å; L13-Y35 WeakPolarHBondContact O-CA 3.34Å; T14-Y35 HydrophobicContact CG2-CD1 3.82Å; T14-Y35 HydrophobicContact CG2-CE1 3.56Å; D33-Y35 WeakPolarHBondContact CB-O 3.32Å; D33-Y35 PolarHBondContact O-N 2.81Å
36L94.4Very high94.3Very high10 Ų1079 Ų795%0.05237%0.37CS..EExtended strand (participates in β ladder)trans-139.9157.5173.168.378.6000110.7L13 V15 K22 I31 Y43L13-L36 HydrophobicContact CB-CD1 3.99Å; L13-L36 HydrophobicContact CB-CG 4.34Å; L13-L36 HydrophobicContact CD1-CD1 4.05Å; L13-L36 HydrophobicContact CG-CD1 4.41Å; L13-L36 PolarHBondContact N-O 3.35Å; L13-L36 PolarHBondContact O-N 3.47Å; V15-L36 HydrophobicContact CG2-CB 4.35Å; V15-L36 HydrophobicContact CG2-CD2 3.66Å; V15-L36 HydrophobicContact CG2-CG 4.08Å; K22-L36 HydrophobicContact CB-CD2 4.31Å; K22-L36 HydrophobicContact CG-CD2 4.2Å; I31-L36 HydrophobicContact CD1-CB 4.14Å; I31-L36 HydrophobicContact CD1-CD2 4.36Å; I31-L36 HydrophobicContact CG2-CB 3.87Å; I31-L36 HydrophobicContact CG2-CD2 4.41Å; L36-Y43 HydrophobicContact CD1-CD1 3.5Å; L36-Y43 HydrophobicContact CD1-CE1 4.14Å; L36-Y43 HydrophobicContact CD1-CG 4.43Å
37L96.1Very high94.3Very high3 Ų380.8 Ų80.82%0.01637%0.369CS..EExtended strand (participates in β ladder)trans-101.8136.8176.7-57178.7000110.1I10 Q11 M12 Y43 W44 E46 L49I10-L37 HydrophobicContact CG2-CB 4.22Å; I10-L37 HydrophobicContact CG2-CD1 4.29Å; I10-L37 HydrophobicContact CG2-CD2 4.08Å; I10-L37 HydrophobicContact CG2-CG 4.43Å; Q11-L37 CarbonylContact O-C 3.55Å; Q11-L37 WeakPolarHBondContact O-CA 3.49Å; M12-L37 HydrophobicContact CB-CD2 4.11Å; M12-L37 HydrophobicContact CE-CD2 4.16Å; M12-L37 HydrophobicContact CG-CD2 4.36Å; L37-Y43 CarbonylContact O-C 3.55Å; L37-Y43 WeakPolarHBondContact O-CA 3.4Å; L37-W44 HydrophobicContact CB-CB 4.34Å; L37-W44 PolarHBondContact N-O 3.45Å; L37-W44 PolarHBondContact O-N 3.05Å; L37-E46 HydrophobicContact CD1-CG 4.36Å; L37-E46 HydrophobicContact CG-CG 4.24Å; L37-L49 HydrophobicContact CB-CD2 4.23Å; L37-L49 HydrophobicContact CD1-CB 4.13Å; L37-L49 HydrophobicContact CD1-CD2 3.91Å
38K95.6Very high94.4Very high68 Ų6880.5 Ų80.530%0.29637%0.367SS..EExtended strand (participates in β ladder)trans-111.3121.5169.3-173.4-172.6178.3-1680109.3Q11 L13 K42 Y43Q11-K38 HydrophobicContact CB-CB 4.4Å; Q11-K38 PolarHBondContact N-O 2.84Å; Q11-K38 PolarHBondContact O-N 3.35Å; L13-K38 HydrophobicContact CD1-CB 3.92Å; L13-K38 HydrophobicContact CD1-CD 4.25Å; K38-K42 WeakPolarHBondContact CA-O 3.43Å; K38-Y43 HydrophobicContact CB-CD1 4.21Å; K38-Y43 HydrophobicContact CB-CE1 4.28Å; K38-Y43 HydrophobicContact CD-CE1 4.19Å; K38-Y43 HydrophobicContact CG-CD1 4.27Å; K38-Y43 HydrophobicContact CG-CE1 4.08Å
39A95.1Very high94.4Very high4 Ų473.6 Ų73.63%0.03333%0.33CS..EExtended strand (participates in β ladder)trans-158.2150.9175.700000109.9I10 D41 K42 W44 L49 L65I10-A39 HydrophobicContact CG1-CB 4.3Å; A39-D41 PolarHBondContact O-N 2.79Å; A39-K42 PolarHBondContact N-O 3.34Å; A39-K42 CarbonylContact O-C 3.58Å; A39-K42 PolarHBondContact O-N 2.89Å; A39-W44 PolarHBondContact O-NE1 3.12Å; A39-W44 VanDerWaalsContact O-NE1 3.1Å; A39-L49 HydrophobicContact CB-CD2 4.15Å; A39-L65 HydrophobicContact CB-CD2 3.75Å
40L93.3Very high94.5Very high44 Ų4469.4 Ų69.423%0.2332%0.316CS..THydrogen-bonded Turntrans53.637.7-177.8-57.7170.2000112.9F8 K42 L65 T67 I72F8-L40 HydrophobicContact CB-CD2 4.12Å; F8-L40 HydrophobicContact CD1-CD2 3.71Å; F8-L40 HydrophobicContact CD2-CD2 3.39Å; F8-L40 HydrophobicContact CE1-CD2 3.88Å; F8-L40 HydrophobicContact CE2-CD2 3.55Å; F8-L40 HydrophobicContact CG-CD2 3.45Å; F8-L40 VanDerWaalsContact CG-CD2 3.45Å; F8-L40 HydrophobicContact CZ-CD2 3.8Å; L40-K42 WeakPolarHBondContact O-CG 3.38Å; L40-K42 PolarHBondContact O-N 3.34Å; L40-L65 HydrophobicContact CD1-CD1 4.12Å; L40-L65 HydrophobicContact CD2-CD1 4.07Å; L40-L65 HydrophobicContact CG-CD1 4.08Å; L40-T67 HydrophobicContact CD1-CG2 3.82Å; L40-T67 HydrophobicContact CD2-CG2 3.7Å; L40-T67 HydrophobicContact CG-CG2 4.38Å; L40-I72 HydrophobicContact CD1-CD1 3.79Å; L40-I72 HydrophobicContact CD1-CG1 4.09Å
41D92.1Very high94.5Very high150 Ų15062.7 Ų62.780%0.80229%0.287SS*.THydrogen-bonded Turntrans54.520.5-173.7-59.6-47.9000115A39A39-D41 PolarHBondContact O-N 2.79Å
42K95.3Very high94.6Very high120 Ų12065.3 Ų65.352%0.52231%0.31SS..EExtended strand (participates in β ladder)trans-124.6165.1178.8-65.7-175.4-173.3-163.40111.2A25 K38 A39 L40 W44A25-K42 HydrophobicContact CB-CB 3.93Å; A25-K42 HydrophobicContact CB-CD 3.68Å; A25-K42 HydrophobicContact CB-CG 4.35Å; K38-K42 WeakPolarHBondContact CA-O 3.43Å; A39-K42 PolarHBondContact N-O 3.34Å; A39-K42 CarbonylContact O-C 3.58Å; A39-K42 PolarHBondContact O-N 2.89Å; L40-K42 WeakPolarHBondContact O-CG 3.38Å; L40-K42 PolarHBondContact O-N 3.34Å; K42-W44 HydrophobicContact CB-CZ2 4.29Å; K42-W44 HydrophobicContact CD-CZ2 4.46Å
43Y96.1Very high94.8Very high67 Ų6759.3 Ų59.326%0.26329%0.29SS..EExtended strand (participates in β ladder)trans-108.2145.5177.3-58-76.4000110.7L13 K22 C24 A25 L36 L37 K38L13-Y43 HydrophobicContact CD1-CE1 4.38Å; K22-Y43 HydrophobicContact CB-CD2 4.01Å; K22-Y43 HydrophobicContact CB-CG 4.03Å; K22-Y43 HydrophobicContact CD-CD2 4.13Å; K22-Y43 HydrophobicContact CD-CE2 3.84Å; K22-Y43 HydrophobicContact CG-CD2 4.16Å; K22-Y43 HydrophobicContact CG-CE2 4.25Å; K22-Y43 HydrophobicContact CG-CG 4.27Å; C24-Y43 CarbonylContact C-O 3.58Å; C24-Y43 WeakPolarHBondContact CA-O 3.44Å; A25-Y43 PolarHBondContact N-O 3.36Å; L36-Y43 HydrophobicContact CD1-CD1 3.5Å; L36-Y43 HydrophobicContact CD1-CE1 4.14Å; L36-Y43 HydrophobicContact CD1-CG 4.43Å; L37-Y43 CarbonylContact O-C 3.55Å; L37-Y43 WeakPolarHBondContact O-CA 3.4Å; K38-Y43 HydrophobicContact CB-CD1 4.21Å; K38-Y43 HydrophobicContact CB-CE1 4.28Å; K38-Y43 HydrophobicContact CD-CE1 4.19Å; K38-Y43 HydrophobicContact CG-CD1 4.27Å; K38-Y43 HydrophobicContact CG-CE1 4.08Å
44W97.3Very high95.1Very high24 Ų2457.4 Ų57.49%0.09128%0.283CS..EExtended strand (participates in β ladder)trans-142.2145.7-173.6-50.981000110.4A25 L37 A39 K42 L49 I72A25-W44 HydrophobicContact CB-CD2 4.05Å; A25-W44 HydrophobicContact CB-CE3 4.08Å; A25-W44 HydrophobicContact CB-CH2 3.74Å; A25-W44 HydrophobicContact CB-CZ2 3.71Å; A25-W44 HydrophobicContact CB-CZ3 3.93Å; L37-W44 HydrophobicContact CB-CB 4.34Å; L37-W44 PolarHBondContact N-O 3.45Å; L37-W44 PolarHBondContact O-N 3.05Å; A39-W44 PolarHBondContact O-NE1 3.12Å; A39-W44 VanDerWaalsContact O-NE1 3.1Å; K42-W44 HydrophobicContact CB-CZ2 4.29Å; K42-W44 HydrophobicContact CD-CZ2 4.46Å; W44-L49 HydrophobicContact CB-CB 3.86Å; W44-L49 HydrophobicContact CD2-CB 4.33Å; W44-L49 HydrophobicContact CD2-CD1 3.73Å; W44-L49 HydrophobicContact CE3-CB 4.42Å; W44-L49 HydrophobicContact CE3-CD1 4.03Å; W44-L49 HydrophobicContact CG-CB 4.09Å; W44-L49 HydrophobicContact CG-CD1 4.01Å; W44-L49 HydrophobicContact CG-CD2 4.48Å; W44-L49 HydrophobicContact CG-CG 4.41Å; W44-L49 HydrophobicContact CZ2-CD1 4.34Å; W44-L49 HydrophobicContact CZ3-CD1 4.46Å; W44-I72 HydrophobicContact CH2-CD1 3.75Å; W44-I72 HydrophobicContact CZ2-CD1 4.11Å; W44-I72 HydrophobicContact CZ3-CD1 4.47Å
45H96.2Very high95.3Very high21 Ų2154.1 Ų54.110%0.09728%0.279CS..  trans-67153.6157.5-56.7111.5000109.5C24 C27 I31 D33 D47 C48 L49C24-H45 VanDerWaalsContact CB-CE1 3.41Å; C24-H45 WeakPolarHBondContact CB-CE1 3.36Å; C24-H45 VanDerWaalsContact CB-ND1 3.31Å; C24-H45 WeakPolarHBondContact CB-ND1 3.43Å; C24-H45 PolarHBondContact SG-N 3.42Å; C24-H45 VanDerWaalsContact SG-N 3.44Å; C24-H45 PolarHBondContact SG-ND1 3.38Å; C27-H45 PolarHBondContact SG-CE1 3.5Å; C27-H45 PolarHBondContact SG-ND1 3.31Å; C27-H45 VanDerWaalsContact SG-ND1 3.37Å; I31-H45 WeakPolarHBondContact CA-NE2 3.37Å; I31-H45 WeakPolarHBondContact CG1-NE2 3.33Å; D33-H45 IonicContact OD2-CD2 3.25Å; D33-H45 PolarHBondContact OD2-CD2 3.32Å; H45-D47 PolarHBondContact O-N 3.39Å; H45-C48 HydrophobicContact CB-CB 4.01Å; H45-C48 PolarHBondContact ND1-SG 3.46Å; H45-C48 PolarHBondContact O-N 3.17Å; H45-L49 PolarHBondContact O-N 3.48Å
46E93.4Very high95.5Very high64 Ų6451.5 Ų51.530%0.29927%0.273SS..THydrogen-bonded Turntrans-54.3-41.4172.8-65.3-179-17600111.4L37 C48L37-E46 HydrophobicContact CD1-CG 4.36Å; L37-E46 HydrophobicContact CG-CG 4.24Å; E46-C48 VanDerWaalsContact C-N 3.31Å; E46-C48 PolarHBondContact O-N 3.26Å
47D94.8Very high95.6Very high81 Ų8155.4 Ų55.443%0.43329%0.287SS..THydrogen-bonded Turntrans-72.8-15.9177.5-84.9-46.8000115.6H45 K50 R57H45-D47 PolarHBondContact O-N 3.39Å; D47-K50 VanDerWaalsContact O-CD 3.26Å; D47-K50 WeakPolarHBondContact O-CD 3.5Å; D47-K50 WeakPolarHBondContact O-CE 3.4Å; D47-K50 PolarHBondContact O-NZ 2.92Å; D47-R57 IonicContact OD1-CZ 2.63Å; D47-R57 IonicContact OD1-NE 3.26Å; D47-R57 PolarHBondContact OD1-NE 3.02Å; D47-R57 IonicContact OD1-NH1 3.18Å; D47-R57 IonicContact OD1-NH2 3.99Å; D47-R57 PolarHBondContact OD1-NH2 2.99Å; D47-R57 IonicContact OD2-NH2 2.96Å
48C96.8Very high95.5Very high32 Ų3255.4 Ų55.422%0.21629%0.287CS..THydrogen-bonded Turntrans-99.2-23.9-174.5-70.20000112.7C24 H45 E46 K50C24-C48 WeakPolarHBondContact SG-CB 3.44Å; C24-C48 VanDerWaalsContact SG-SG 3.66Å; H45-C48 HydrophobicContact CB-CB 4.01Å; H45-C48 PolarHBondContact ND1-SG 3.46Å; H45-C48 PolarHBondContact O-N 3.17Å; E46-C48 VanDerWaalsContact C-N 3.31Å; E46-C48 PolarHBondContact O-N 3.26Å; C48-K50 PolarHBondContact O-N 3.39Å
49L96.5Very high95.3Very high1 Ų153.5 Ų53.51%0.00529%0.286CS..SBendtrans-87.985.2177.4-171.763.5000110.2I10 L37 A39 W44 H45 L58 L65 I72I10-L49 HydrophobicContact CD1-CD2 4.11Å; I10-L49 HydrophobicContact CG1-CD2 4.26Å; I10-L49 HydrophobicContact CG2-CD2 4Å; L37-L49 HydrophobicContact CB-CD2 4.23Å; L37-L49 HydrophobicContact CD1-CB 4.13Å; L37-L49 HydrophobicContact CD1-CD2 3.91Å; A39-L49 HydrophobicContact CB-CD2 4.15Å; W44-L49 HydrophobicContact CB-CB 3.86Å; W44-L49 HydrophobicContact CD2-CB 4.33Å; W44-L49 HydrophobicContact CD2-CD1 3.73Å; W44-L49 HydrophobicContact CE3-CB 4.42Å; W44-L49 HydrophobicContact CE3-CD1 4.03Å; W44-L49 HydrophobicContact CG-CB 4.09Å; W44-L49 HydrophobicContact CG-CD1 4.01Å; W44-L49 HydrophobicContact CG-CD2 4.48Å; W44-L49 HydrophobicContact CG-CG 4.41Å; W44-L49 HydrophobicContact CZ2-CD1 4.34Å; W44-L49 HydrophobicContact CZ3-CD1 4.46Å; H45-L49 PolarHBondContact O-N 3.48Å; L49-L58 HydrophobicContact CD1-CD1 4.4Å; L49-L58 HydrophobicContact CG-CB 4.21Å; L49-L58 HydrophobicContact CG-CD1 4.24Å; L49-L58 PolarHBondContact O-N 3.31Å; L49-L65 HydrophobicContact CD1-CD2 3.93Å; L49-L65 HydrophobicContact CD2-CD2 4.2Å; L49-L65 HydrophobicContact CG-CD2 4.44Å; L49-I72 HydrophobicContact CD1-CD1 4.48Å; L49-I72 HydrophobicContact CD1-CG2 4.44Å
50K96.6Very high95.2Very high86 Ų8659 Ų5937%0.37431%0.311SS..BIsolated β-bridgetrans-120.7154.2-174.5-65.8-173.4-73.2-150.90112D47 C48 D55 C56 R57D47-K50 VanDerWaalsContact O-CD 3.26Å; D47-K50 WeakPolarHBondContact O-CD 3.5Å; D47-K50 WeakPolarHBondContact O-CE 3.4Å; D47-K50 PolarHBondContact O-NZ 2.92Å; C48-K50 PolarHBondContact O-N 3.39Å; K50-D55 VanDerWaalsContact CD-O 3.29Å; K50-D55 WeakPolarHBondContact CD-O 3.36Å; K50-C56 WeakPolarHBondContact CA-O 3.18Å; K50-R57 HydrophobicContact CD-CG 4.4Å; K50-R57 HydrophobicContact CG-CG 4.27Å
51C96.7Very high95Very high1 Ų161.6 Ų61.61%0.00733%0.329CS..  trans-69131.8171.3-178.20000110.3C53 D55 C56 L58 I72 C74 D77C51-C53 PolarHBondContact O-N 2.88Å; C51-C53 VanDerWaalsContact O-N 3.1Å; C51-C53 PolarHBondContact SG-N 3.14Å; C51-C53 VanDerWaalsContact SG-N 3.42Å; C51-D55 VanDerWaalsContact O-CA 3.31Å; C51-D55 WeakPolarHBondContact O-CA 3.15Å; C51-D55 PolarHBondContact O-N 3.39Å; C51-C56 WeakPolarHBondContact CB-SG 3.33Å; C51-C56 PolarHBondContact N-O 3.5Å; C51-L58 HydrophobicContact CB-CD2 4.12Å; C51-I72 WeakPolarHBondContact CA-O 3.43Å; C51-C74 HydrophobicContact CB-CB 4.2Å; C51-C74 PolarHBondContact SG-N 3.24Å; C51-D77 PolarHBondContact SG-OD2 2.89Å
52A96.4Very high94.8Very high60 Ų6056 Ų5650%0.49631%0.307SS..THydrogen-bonded Turntrans-66-9.3176.900000114.8L71 I72 L73A52-L71 HydrophobicContact CB-CB 4.42Å; A52-L71 HydrophobicContact CB-CD2 4.04Å; A52-I72 PolarHBondContact N-O 2.99Å; A52-L73 HydrophobicContact CB-CD2 4.29Å
53C95.4Very high94.5Very high57 Ų5754.4 Ų54.439%0.38531%0.311SS..THydrogen-bonded Turntrans-110-44.8-179.5-660000113.4C51 L73 D77C51-C53 PolarHBondContact O-N 2.88Å; C51-C53 VanDerWaalsContact O-N 3.1Å; C51-C53 PolarHBondContact SG-N 3.14Å; C51-C53 VanDerWaalsContact SG-N 3.42Å; C53-L73 HydrophobicContact CB-CD2 4.2Å; C53-L73 WeakPolarHBondContact SG-CD2 3.37Å; C53-D77 HydrophobicContact CB-CB 3.97Å; C53-D77 WeakPolarHBondContact CB-OD2 3.26Å
54C95.7Very high94.3Very high43 Ų4354 Ų5429%0.29132%0.315SS..THydrogen-bonded Turntrans-101.2-5.7178.657.30000116.5C56 C74 D77C54-C56 HydrophobicContact CB-CB 4.16Å; C54-C56 WeakPolarHBondContact CB-SG 3.2Å; C54-C56 PolarHBondContact O-N 3.47Å; C54-C56 WeakPolarHBondContact SG-CB 3.49Å; C54-C56 CovalentContact SG-SG 2.08Å; C54-C56 PolarHBondContact SG-SG 3.3Å; C54-C74 VanDerWaalsContact SG-SG 3.62Å; C54-D77 WeakPolarHBondContact CB-OD2 3.36Å; C54-D77 PolarHBondContact N-OD2 2.81Å; C54-D77 PolarHBondContact SG-OD2 3.46Å
55D96.1Very high94.2Very high117 Ų11752.8 Ų52.863%0.62631%0.311SS*.  trans54.95.9-171.2-67.1-47.2000115.3K50 C51K50-D55 VanDerWaalsContact CD-O 3.29Å; K50-D55 WeakPolarHBondContact CD-O 3.36Å; C51-D55 VanDerWaalsContact O-CA 3.31Å; C51-D55 WeakPolarHBondContact O-CA 3.15Å; C51-D55 PolarHBondContact O-N 3.39Å
56C95.8Very high94.2Very high29 Ų2952.5 Ų52.520%0.19631%0.309CS..  trans-60.7136.7173.5510000110.3K50 C51 C54 L58 V61K50-C56 WeakPolarHBondContact CA-O 3.18Å; C51-C56 WeakPolarHBondContact CB-SG 3.33Å; C51-C56 PolarHBondContact N-O 3.5Å; C54-C56 HydrophobicContact CB-CB 4.16Å; C54-C56 WeakPolarHBondContact CB-SG 3.2Å; C54-C56 PolarHBondContact O-N 3.47Å; C54-C56 WeakPolarHBondContact SG-CB 3.49Å; C54-C56 CovalentContact SG-SG 2.08Å; C54-C56 PolarHBondContact SG-SG 3.3Å; C56-L58 PolarHBondContact O-N 3.47Å; C56-V61 HydrophobicContact CB-CG2 4.25Å
57R96Very high94.2Very high92 Ų9250.5 Ų50.535%0.34730%0.301SS..BIsolated β-bridgetrans-72.1116179-67.1172.8-177.91722.4110.1D47 K50 G59 E60 V61D47-R57 IonicContact OD1-CZ 2.63Å; D47-R57 IonicContact OD1-NE 3.26Å; D47-R57 PolarHBondContact OD1-NE 3.02Å; D47-R57 IonicContact OD1-NH1 3.18Å; D47-R57 IonicContact OD1-NH2 3.99Å; D47-R57 PolarHBondContact OD1-NH2 2.99Å; D47-R57 IonicContact OD2-NH2 2.96Å; K50-R57 HydrophobicContact CD-CG 4.4Å; K50-R57 HydrophobicContact CG-CG 4.27Å; R57-G59 VanDerWaalsContact C-N 3.34Å; R57-G59 PolarHBondContact O-N 3.21Å; R57-E60 HydrophobicContact CB-CB 4.27Å; R57-E60 HydrophobicContact CB-CG 4.1Å; R57-E60 VanDerWaalsContact CD-CD 3.43Å; R57-E60 WeakPolarHBondContact CD-OE1 3.37Å; R57-E60 IonicContact CZ-OE1 2.79Å; R57-E60 IonicContact NE-OE1 2.84Å; R57-E60 IonicContact NH1-OE1 3.92Å; R57-E60 PolarHBondContact NH1-OE1 3.41Å; R57-E60 PolarHBondContact O-N 3.18Å; R57-V61 WeakPolarHBondContact O-CG2 3.41Å; R57-V61 PolarHBondContact O-N 3.25Å; R57-V61 VanDerWaalsContact O-N 3.16Å
58L95.3Very high94.1Very high3 Ų350.8 Ų50.82%0.01630%0.298CS..Hα-helixtrans-70.3-32-169.9-68.2167.7000112.7I10 L49 C51 C56 E60 G62 L65 I72 C74I10-L58 HydrophobicContact CD1-CB 3.73Å; L49-L58 HydrophobicContact CD1-CD1 4.4Å; L49-L58 HydrophobicContact CG-CB 4.21Å; L49-L58 HydrophobicContact CG-CD1 4.24Å; L49-L58 PolarHBondContact O-N 3.31Å; C51-L58 HydrophobicContact CB-CD2 4.12Å; C56-L58 PolarHBondContact O-N 3.47Å; L58-E60 VanDerWaalsContact C-N 3.25Å; L58-E60 PolarHBondContact O-N 3.13Å; L58-G62 PolarHBondContact O-N 3.06Å; L58-L65 HydrophobicContact CD1-CB 4.01Å; L58-L65 HydrophobicContact CD1-CD2 4.42Å; L58-I72 HydrophobicContact CD1-CG2 3.39Å; L58-C74 HydrophobicContact CD2-CB 3.66Å
59G91.4Very high93.7Very high27 Ų2752.9 Ų52.928%0.27832%0.318SS..Hα-helixtrans-69.5-19.2175.900000114.4R57R57-G59 VanDerWaalsContact C-N 3.34Å; R57-G59 PolarHBondContact O-N 3.21Å
60E91.1Very high93.3Very high119 Ų11961.1 Ų61.156%0.55636%0.362SS*.Hα-helixtrans-91.1-40.6176.3-67176.9-172.100111.6R57 L58 G62R57-E60 HydrophobicContact CB-CB 4.27Å; R57-E60 HydrophobicContact CB-CG 4.1Å; R57-E60 VanDerWaalsContact CD-CD 3.43Å; R57-E60 WeakPolarHBondContact CD-OE1 3.37Å; R57-E60 IonicContact CZ-OE1 2.79Å; R57-E60 IonicContact NE-OE1 2.84Å; R57-E60 IonicContact NH1-OE1 3.92Å; R57-E60 PolarHBondContact NH1-OE1 3.41Å; R57-E60 PolarHBondContact O-N 3.18Å; L58-E60 VanDerWaalsContact C-N 3.25Å; L58-E60 PolarHBondContact O-N 3.13Å; E60-G62 VanDerWaalsContact C-N 3.34Å; E60-G62 PolarHBondContact O-N 2.95Å
61V89.3Confident93.2Very high99 Ų9960.1 Ų60.160%0.636%0.36SS*.Hα-helixtrans-74.7-24.5-176.1176.30000112.3C56 R57C56-V61 HydrophobicContact CB-CG2 4.25Å; R57-V61 WeakPolarHBondContact O-CG2 3.41Å; R57-V61 PolarHBondContact O-N 3.25Å; R57-V61 VanDerWaalsContact O-N 3.16Å
62G87.8Confident93.1Very high34 Ų3461.7 Ų61.735%0.35137%0.369SS..  trans-177.8-178.4175.500000114L58 E60L58-G62 PolarHBondContact O-N 3.06Å; E60-G62 VanDerWaalsContact C-N 3.34Å; E60-G62 PolarHBondContact O-N 2.95Å
63S89.5Confident93.1Very high86 Ų8658.9 Ų58.960%0.60135%0.345SS*.SBendtrans-94.66.7178.9580000113.5G9 I10G9-S63 CarbonylContact C-O 3.58Å; G9-S63 WeakPolarHBondContact CA-O 3.46Å; I10-S63 PolarHBondContact N-O 2.82Å
64T93.1Very high93Very high57 Ų5756.4 Ų56.435%0.3533%0.329SS..EExtended strand (participates in β ladder)trans-137.6149.1-177.956.80000111.9F8F8-T64 CarbonylContact O-C 3.52Å; F8-T64 WeakPolarHBondContact O-CA 3.43Å
65L94.6Very high92.9Very high0 Ų061.6 Ų61.60%034%0.342CS..EExtended strand (participates in β ladder)trans-125.4163.5168.964.680.6000110.4S7 F8 I10 A39 L40 L49 L58 T67 I72S7-L65 CarbonylContact C-O 3.58Å; S7-L65 WeakPolarHBondContact CA-O 3.36Å; F8-L65 HydrophobicContact CB-CD1 3.85Å; F8-L65 HydrophobicContact CB-CG 4.19Å; F8-L65 HydrophobicContact CD2-CD1 3.9Å; F8-L65 HydrophobicContact CG-CD1 4.28Å; F8-L65 PolarHBondContact N-O 2.87Å; F8-L65 PolarHBondContact O-N 3.37Å; I10-L65 HydrophobicContact CD1-CB 4.17Å; I10-L65 HydrophobicContact CD1-CD2 4.26Å; I10-L65 HydrophobicContact CG1-CB 4.43Å; I10-L65 HydrophobicContact CG1-CD2 4.04Å; I10-L65 HydrophobicContact CG1-CG 4.29Å; A39-L65 HydrophobicContact CB-CD2 3.75Å; L40-L65 HydrophobicContact CD1-CD1 4.12Å; L40-L65 HydrophobicContact CD2-CD1 4.07Å; L40-L65 HydrophobicContact CG-CD1 4.08Å; L49-L65 HydrophobicContact CD1-CD2 3.93Å; L49-L65 HydrophobicContact CD2-CD2 4.2Å; L49-L65 HydrophobicContact CG-CD2 4.44Å; L58-L65 HydrophobicContact CD1-CB 4.01Å; L58-L65 HydrophobicContact CD1-CD2 4.42Å; L65-T67 HydrophobicContact CD1-CG2 3.73Å; L65-I72 HydrophobicContact CB-CG2 4.3Å; L65-I72 HydrophobicContact CD1-CG2 4.16Å; L65-I72 HydrophobicContact CD2-CG2 3.97Å; L65-I72 HydrophobicContact CG-CG2 4.4Å
66Y95Very high92.7Very high14 Ų1463.3 Ų63.36%0.05534%0.34CS..EExtended strand (participates in β ladder)trans-121.2140.9178.3-65.6-99.3000109.6L73 R75 Y78Y66-L73 PolarHBondContact N-O 2.89Å; Y66-L73 PolarHBondContact O-N 2.91Å; Y66-R75 HydrophobicContact CD2-CB 4.3Å; Y66-R75 HydrophobicContact CE2-CB 3.66Å; Y66-R75 HydrophobicContact CE2-CG 3.93Å; Y66-R75 PolarHBondContact OH-NH1 2.85Å; Y66-Y78 AromaticContact CD1-CD1 3.65Å; Y66-Y78 HydrophobicContact CD1-CD1 3.65Å; Y66-Y78 HydrophobicContact CD1-CD2 4.19Å; Y66-Y78 AromaticContact CD1-CE1 3.85Å; Y66-Y78 HydrophobicContact CD1-CE1 3.85Å; Y66-Y78 HydrophobicContact CD1-CE2 4.36Å; Y66-Y78 AromaticContact CD1-CG 3.83Å; Y66-Y78 HydrophobicContact CD1-CG 3.83Å; Y66-Y78 HydrophobicContact CE1-CD1 4.16Å; Y66-Y78 HydrophobicContact CE1-CE1 4.31Å; Y66-Y78 HydrophobicContact CG-CD1 4.02Å; Y66-Y78 HydrophobicContact CG-CD2 4.12Å; Y66-Y78 AromaticContact CG-CG 3.76Å; Y66-Y78 HydrophobicContact CG-CG 3.76Å
67T94.4Very high92.6Very high22 Ų2262.2 Ų62.214%0.13533%0.332CS..EExtended strand (participates in β ladder)trans-120.4135.2170.971.50000112.1Q6 F8 L40 L65 L71 I72Q6-T67 PolarHBondContact O-N 2.83Å; F8-T67 HydrophobicContact CD2-CG2 4.12Å; F8-T67 HydrophobicContact CE2-CG2 4.01Å; F8-T67 VanDerWaalsContact CE2-OG1 3.3Å; F8-T67 WeakPolarHBondContact CE2-OG1 3.39Å; L40-T67 HydrophobicContact CD1-CG2 3.82Å; L40-T67 HydrophobicContact CD2-CG2 3.7Å; L40-T67 HydrophobicContact CG-CG2 4.38Å; L65-T67 HydrophobicContact CD1-CG2 3.73Å; T67-L71 VanDerWaalsContact CA-O 3.25Å; T67-L71 WeakPolarHBondContact CA-O 3.21Å; T67-I72 HydrophobicContact CG2-CG1 4.43Å
68K92.2Very high92.6Very high87 Ų8758.9 Ų58.938%0.37832%0.319SS..EExtended strand (participates in β ladder)trans-161.3142172.8-171.5161173.5-172.60109.6N70 L71 Y78 F82K68-N70 PolarHBondContact O-N 3.06Å; K68-L71 PolarHBondContact N-O 3.23Å; K68-L71 WeakPolarHBondContact O-CB 3.4Å; K68-L71 PolarHBondContact O-N 2.77Å; K68-Y78 HydrophobicContact CB-CD2 4.47Å; K68-Y78 HydrophobicContact CB-CE2 3.98Å; K68-Y78 HydrophobicContact CD-CE2 3.96Å; K68-F82 HydrophobicContact CB-CD2 4.05Å; K68-F82 HydrophobicContact CB-CE2 3.82Å; K68-F82 HydrophobicContact CB-CZ 4.3Å; K68-F82 HydrophobicContact CD-CB 3.95Å; K68-F82 HydrophobicContact CD-CD1 3.76Å; K68-F82 HydrophobicContact CD-CD2 3.73Å; K68-F82 HydrophobicContact CD-CE1 4.14Å; K68-F82 HydrophobicContact CD-CE2 4.1Å; K68-F82 HydrophobicContact CD-CG 3.54Å; K68-F82 HydrophobicContact CD-CZ 4.3Å; K68-F82 HydrophobicContact CG-CD1 4.39Å; K68-F82 HydrophobicContact CG-CD2 4.16Å; K68-F82 HydrophobicContact CG-CE1 4.27Å; K68-F82 HydrophobicContact CG-CE2 4.01Å; K68-F82 HydrophobicContact CG-CG 4.33Å; K68-F82 HydrophobicContact CG-CZ 4.08Å
69A88.7Confident92.4Very high77 Ų7760.6 Ų60.664%0.63633%0.329SS*.THydrogen-bonded Turntrans51.240.8-177.700000113.3L71 F82A69-L71 PolarHBondContact O-N 2.74Å; A69-L71 VanDerWaalsContact O-N 3.16Å; A69-F82 HydrophobicContact CB-CZ 4.49Å
70N88.8Confident92.4Very high173 Ų17366.7 Ų66.793%0.92534%0.343SS*.THydrogen-bonded Turntrans60.715.1-176.2-58.8-29.8000115.6K68K68-N70 PolarHBondContact O-N 3.06Å
71L93.4Very high92.4Very high65 Ų6564.8 Ų64.834%0.3434%0.337SS..EExtended strand (participates in β ladder)trans-98.3141.5174-57.9176000110.7A52 T67 K68 A69 L73A52-L71 HydrophobicContact CB-CB 4.42Å; A52-L71 HydrophobicContact CB-CD2 4.04Å; T67-L71 VanDerWaalsContact CA-O 3.25Å; T67-L71 WeakPolarHBondContact CA-O 3.21Å; K68-L71 PolarHBondContact N-O 3.23Å; K68-L71 WeakPolarHBondContact O-CB 3.4Å; K68-L71 PolarHBondContact O-N 2.77Å; A69-L71 PolarHBondContact O-N 2.74Å; A69-L71 VanDerWaalsContact O-N 3.16Å; L71-L73 HydrophobicContact CB-CD1 4.25Å; L71-L73 HydrophobicContact CB-CD2 4.08Å; L71-L73 HydrophobicContact CB-CG 3.95Å
72I95.3Very high92.4Very high35 Ų3563 Ų6318%0.17932%0.321CS..EExtended strand (participates in β ladder)trans-97.4120.1166.5-55179.6000107.4L40 W44 L49 C51 A52 L58 L65 T67L40-I72 HydrophobicContact CD1-CD1 3.79Å; L40-I72 HydrophobicContact CD1-CG1 4.09Å; W44-I72 HydrophobicContact CH2-CD1 3.75Å; W44-I72 HydrophobicContact CZ2-CD1 4.11Å; W44-I72 HydrophobicContact CZ3-CD1 4.47Å; L49-I72 HydrophobicContact CD1-CD1 4.48Å; L49-I72 HydrophobicContact CD1-CG2 4.44Å; C51-I72 WeakPolarHBondContact CA-O 3.43Å; A52-I72 PolarHBondContact N-O 2.99Å; L58-I72 HydrophobicContact CD1-CG2 3.39Å; L65-I72 HydrophobicContact CB-CG2 4.3Å; L65-I72 HydrophobicContact CD1-CG2 4.16Å; L65-I72 HydrophobicContact CD2-CG2 3.97Å; L65-I72 HydrophobicContact CG-CG2 4.4Å; T67-I72 HydrophobicContact CG2-CG1 4.43Å
73L95.7Very high92.4Very high0 Ų062.5 Ų62.50%032%0.315CS..EExtended strand (participates in β ladder)trans-127.8149.4-169.8-61.7176.2000112.6A52 C53 Y66 L71 Y78 L81 F82A52-L73 HydrophobicContact CB-CD2 4.29Å; C53-L73 HydrophobicContact CB-CD2 4.2Å; C53-L73 WeakPolarHBondContact SG-CD2 3.37Å; Y66-L73 PolarHBondContact N-O 2.89Å; Y66-L73 PolarHBondContact O-N 2.91Å; L71-L73 HydrophobicContact CB-CD1 4.25Å; L71-L73 HydrophobicContact CB-CD2 4.08Å; L71-L73 HydrophobicContact CB-CG 3.95Å; L73-Y78 HydrophobicContact CD1-CD2 4.46Å; L73-L81 HydrophobicContact CD1-CD1 4.09Å; L73-F82 HydrophobicContact CD1-CD2 4.04Å; L73-F82 HydrophobicContact CD1-CE2 3.57Å
74C95.1Very high92.3Very high6 Ų665 Ų654%0.04133%0.326CS..  trans-72.5161.6165.176.80000110C51 C54 L58 R76 D77 Y78C51-C74 HydrophobicContact CB-CB 4.2Å; C51-C74 PolarHBondContact SG-N 3.24Å; C54-C74 VanDerWaalsContact SG-SG 3.62Å; L58-C74 HydrophobicContact CD2-CB 3.66Å; C74-R76 VanDerWaalsContact C-N 3.26Å; C74-R76 PolarHBondContact O-N 3.32Å; C74-D77 PolarHBondContact O-N 2.71Å; C74-D77 VanDerWaalsContact SG-CG 3.58Å; C74-D77 PolarHBondContact SG-N 3.39Å; C74-D77 PolarHBondContact SG-OD2 3.06Å; C74-D77 VanDerWaalsContact SG-OD2 3.35Å; C74-Y78 VanDerWaalsContact O-CB 3.32Å; C74-Y78 WeakPolarHBondContact O-CB 3.43Å; C74-Y78 PolarHBondContact O-N 2.98Å
75R92.5Very high92.2Very high152 Ų15265.8 Ų65.857%0.57433%0.331SS*.Hα-helixtrans-53.4-44.4178.4-174.9179.2175.199.7-3.2112.2Y66 L79Y66-R75 HydrophobicContact CD2-CB 4.3Å; Y66-R75 HydrophobicContact CE2-CB 3.66Å; Y66-R75 HydrophobicContact CE2-CG 3.93Å; Y66-R75 PolarHBondContact OH-NH1 2.85Å; R75-L79 HydrophobicContact CG-CD1 4.07Å; R75-L79 WeakPolarHBondContact O-CB 3.4Å; R75-L79 VanDerWaalsContact O-CG 3.31Å; R75-L79 WeakPolarHBondContact O-CG 3.42Å; R75-L79 PolarHBondContact O-N 3.1Å
76R92.3Very high92Very high152 Ų15267 Ų6757%0.57434%0.343SS*.Hα-helixtrans-62.2-51.2-177.2-175179.967.8-172.7-1.1111.7C74 L79 R80C74-R76 VanDerWaalsContact C-N 3.26Å; C74-R76 PolarHBondContact O-N 3.32Å; R76-L79 PolarHBondContact O-N 3.5Å; R76-R80 WeakPolarHBondContact O-CB 3.34Å; R76-R80 PolarHBondContact O-N 3.09Å
77D94.4Very high92Very high7 Ų771.1 Ų71.14%0.03737%0.367CS..Hα-helixtrans-72.9-32.6-177.7-66.2-27.6000112C51 C53 C54 C74 R80 L81C51-D77 PolarHBondContact SG-OD2 2.89Å; C53-D77 HydrophobicContact CB-CB 3.97Å; C53-D77 WeakPolarHBondContact CB-OD2 3.26Å; C54-D77 WeakPolarHBondContact CB-OD2 3.36Å; C54-D77 PolarHBondContact N-OD2 2.81Å; C54-D77 PolarHBondContact SG-OD2 3.46Å; C74-D77 PolarHBondContact O-N 2.71Å; C74-D77 VanDerWaalsContact SG-CG 3.58Å; C74-D77 PolarHBondContact SG-N 3.39Å; C74-D77 PolarHBondContact SG-OD2 3.06Å; C74-D77 VanDerWaalsContact SG-OD2 3.35Å; D77-R80 PolarHBondContact O-N 2.92Å; D77-L81 WeakPolarHBondContact O-CB 3.41Å; D77-L81 WeakPolarHBondContact O-CG 3.31Å; D77-L81 PolarHBondContact O-N 3.04Å
78Y94.2Very high92.1Very high21 Ų2170.1 Ų70.18%0.08236%0.36CS..Hα-helixtrans-59.2-50.6170.2178.2-95000111.2Y66 K68 L73 C74 R80 L81 F82 G83Y66-Y78 AromaticContact CD1-CD1 3.65Å; Y66-Y78 HydrophobicContact CD1-CD1 3.65Å; Y66-Y78 HydrophobicContact CD1-CD2 4.19Å; Y66-Y78 AromaticContact CD1-CE1 3.85Å; Y66-Y78 HydrophobicContact CD1-CE1 3.85Å; Y66-Y78 HydrophobicContact CD1-CE2 4.36Å; Y66-Y78 AromaticContact CD1-CG 3.83Å; Y66-Y78 HydrophobicContact CD1-CG 3.83Å; Y66-Y78 HydrophobicContact CE1-CD1 4.16Å; Y66-Y78 HydrophobicContact CE1-CE1 4.31Å; Y66-Y78 HydrophobicContact CG-CD1 4.02Å; Y66-Y78 HydrophobicContact CG-CD2 4.12Å; Y66-Y78 AromaticContact CG-CG 3.76Å; Y66-Y78 HydrophobicContact CG-CG 3.76Å; K68-Y78 HydrophobicContact CB-CD2 4.47Å; K68-Y78 HydrophobicContact CB-CE2 3.98Å; K68-Y78 HydrophobicContact CD-CE2 3.96Å; L73-Y78 HydrophobicContact CD1-CD2 4.46Å; C74-Y78 VanDerWaalsContact O-CB 3.32Å; C74-Y78 WeakPolarHBondContact O-CB 3.43Å; C74-Y78 PolarHBondContact O-N 2.98Å; Y78-R80 VanDerWaalsContact C-N 3.34Å; Y78-R80 PolarHBondContact O-N 2.84Å; Y78-L81 PolarHBondContact O-N 3.37Å; Y78-F82 HydrophobicContact CD2-CB 4.48Å; Y78-F82 AromaticContact CD2-CD2 3.82Å; Y78-F82 HydrophobicContact CD2-CD2 3.82Å; Y78-F82 HydrophobicContact CE2-CB 4.26Å; Y78-F82 HydrophobicContact CE2-CD2 4.07Å; Y78-F82 WeakPolarHBondContact O-CA 3.45Å; Y78-F82 VanDerWaalsContact O-CB 3.31Å; Y78-F82 WeakPolarHBondContact O-CB 3.43Å; Y78-F82 PolarHBondContact O-N 3.38Å; Y78-G83 PolarHBondContact O-N 3.1Å
79L92.3Very high92.2Very high40 Ų4067.3 Ų67.321%0.20935%0.354CS..Hα-helixtrans-62.8-41.3176.7-69.9173.9000111.3R75 R76 L81 G83 A97 F98R75-L79 HydrophobicContact CG-CD1 4.07Å; R75-L79 WeakPolarHBondContact O-CB 3.4Å; R75-L79 VanDerWaalsContact O-CG 3.31Å; R75-L79 WeakPolarHBondContact O-CG 3.42Å; R75-L79 PolarHBondContact O-N 3.1Å; R76-L79 PolarHBondContact O-N 3.5Å; L79-L81 VanDerWaalsContact C-N 3.35Å; L79-L81 PolarHBondContact O-N 2.85Å; L79-G83 VanDerWaalsContact O-CA 3.24Å; L79-G83 WeakPolarHBondContact O-CA 3.41Å; L79-G83 PolarHBondContact O-N 3.42Å; L79-A97 WeakPolarHBondContact O-CB 3.45Å; L79-F98 HydrophobicContact CB-CB 3.95Å
80R90.9Very high92.4Very high154 Ų15465.1 Ų65.158%0.58134%0.336SS*.Hα-helixtrans-58.6-43.1177.3-169.9179.293.3160.85.4113.4R76 D77 Y78 F98R76-R80 WeakPolarHBondContact O-CB 3.34Å; R76-R80 PolarHBondContact O-N 3.09Å; D77-R80 PolarHBondContact O-N 2.92Å; Y78-R80 VanDerWaalsContact C-N 3.34Å; Y78-R80 PolarHBondContact O-N 2.84Å; R80-F98 HydrophobicContact CB-CD1 3.75Å; R80-F98 HydrophobicContact CB-CE1 4.16Å; R80-F98 HydrophobicContact CG-CD1 3.88Å; R80-F98 HydrophobicContact CG-CE1 3.74Å
81L90.4Very high92.6Very high80 Ų8059 Ų5942%0.41931%0.306SS..Hα-helixtrans-86.9-31.3-175.8-67.6172.6000113.2L73 D77 Y78 L79L73-L81 HydrophobicContact CD1-CD1 4.09Å; D77-L81 WeakPolarHBondContact O-CB 3.41Å; D77-L81 WeakPolarHBondContact O-CG 3.31Å; D77-L81 PolarHBondContact O-N 3.04Å; Y78-L81 PolarHBondContact O-N 3.37Å; L79-L81 VanDerWaalsContact C-N 3.35Å; L79-L81 PolarHBondContact O-N 2.85Å
82F90.3Very high92.7Very high62 Ų6260.3 Ų60.327%0.27232%0.32SS..Hα-helixtrans-136.8-5.6-163.4-58.5-56000114.9K68 A69 L73 Y78K68-F82 HydrophobicContact CB-CD2 4.05Å; K68-F82 HydrophobicContact CB-CE2 3.82Å; K68-F82 HydrophobicContact CB-CZ 4.3Å; K68-F82 HydrophobicContact CD-CB 3.95Å; K68-F82 HydrophobicContact CD-CD1 3.76Å; K68-F82 HydrophobicContact CD-CD2 3.73Å; K68-F82 HydrophobicContact CD-CE1 4.14Å; K68-F82 HydrophobicContact CD-CE2 4.1Å; K68-F82 HydrophobicContact CD-CG 3.54Å; K68-F82 HydrophobicContact CD-CZ 4.3Å; K68-F82 HydrophobicContact CG-CD1 4.39Å; K68-F82 HydrophobicContact CG-CD2 4.16Å; K68-F82 HydrophobicContact CG-CE1 4.27Å; K68-F82 HydrophobicContact CG-CE2 4.01Å; K68-F82 HydrophobicContact CG-CG 4.33Å; K68-F82 HydrophobicContact CG-CZ 4.08Å; A69-F82 HydrophobicContact CB-CZ 4.49Å; L73-F82 HydrophobicContact CD1-CD2 4.04Å; L73-F82 HydrophobicContact CD1-CE2 3.57Å; Y78-F82 HydrophobicContact CD2-CB 4.48Å; Y78-F82 AromaticContact CD2-CD2 3.82Å; Y78-F82 HydrophobicContact CD2-CD2 3.82Å; Y78-F82 HydrophobicContact CE2-CB 4.26Å; Y78-F82 HydrophobicContact CE2-CD2 4.07Å; Y78-F82 WeakPolarHBondContact O-CA 3.45Å; Y78-F82 VanDerWaalsContact O-CB 3.31Å; Y78-F82 WeakPolarHBondContact O-CB 3.43Å; Y78-F82 PolarHBondContact O-N 3.38Å
83G88.3Confident92.7Very high22 Ų2265.6 Ų65.623%0.22734%0.342CS..SBendtrans-71.7158.6176.300000111.5Y78 L79 T85 A97Y78-G83 PolarHBondContact O-N 3.1Å; L79-G83 VanDerWaalsContact O-CA 3.24Å; L79-G83 WeakPolarHBondContact O-CA 3.41Å; L79-G83 PolarHBondContact O-N 3.42Å; G83-T85 PolarHBondContact O-N 2.95Å; G83-A97 VanDerWaalsContact CA-CB 3.47Å
84V87Confident92.7Very high138 Ų13870.4 Ų70.484%0.83637%0.367SS*.PPolyproline II helixtrans-79.2119.4176.9-178.70000108.9A97V84-A97 WeakPolarHBondContact O-CB 3.4Å
85T89.9Confident92.7Very high74 Ų7470.4 Ų70.445%0.45437%0.367SS..PPolyproline II helixtrans-80.7153.7172.755.60000110.6G83 I95 A97G83-T85 PolarHBondContact O-N 2.95Å; T85-I95 WeakPolarHBondContact CA-O 3.24Å; T85-I95 WeakPolarHBondContact CB-O 3.48Å; T85-A97 HydrophobicContact CG2-CB 4.48Å
86G90.8Very high92.7Very high25 Ų2564.9 Ų64.926%0.25835%0.351SS..EExtended strand (participates in β ladder)trans-124.2178.1174.400000111.9L94 I95G86-L94 CarbonylContact O-C 3.6Å; G86-I95 PolarHBondContact N-O 2.87Å; G86-I95 VanDerWaalsContact N-O 3.1Å; G86-I95 PolarHBondContact O-N 3.39Å
87N95.9Very high92.6Very high101 Ų10158.9 Ų58.954%0.5433%0.334SS..EExtended strand (participates in β ladder)trans-115.2134.1170.2-71.784.9000109.4A89 S92 K93 V108N87-A89 PolarHBondContact O-N 3.38Å; N87-S92 PolarHBondContact ND2-O 2.84Å; N87-S92 VanDerWaalsContact ND2-O 3.14Å; N87-K93 WeakPolarHBondContact CA-O 3.36Å; N87-V108 WeakPolarHBondContact O-CG2 3.29Å
88C95.7Very high92.3Very high1 Ų163.1 Ų63.11%0.00735%0.352CS..  trans-67.7125.6176.5177.10000110.3A90 C91 S92 K93 I95 V108 H110 C113C88-A90 VanDerWaalsContact C-N 3.27Å; C88-A90 PolarHBondContact O-N 2.93Å; C88-C91 VanDerWaalsContact CB-SG 3.59Å; C88-C91 VanDerWaalsContact SG-SG 3.63Å; C88-S92 WeakPolarHBondContact O-CA 3.22Å; C88-S92 PolarHBondContact O-N 3.35Å; C88-K93 PolarHBondContact N-O 3.47Å; C88-I95 HydrophobicContact CB-CD1 3.94Å; C88-I95 HydrophobicContact CB-CG1 3.99Å; C88-V108 CarbonylContact C-O 3.58Å; C88-V108 WeakPolarHBondContact CA-O 3.31Å; C88-H110 VanDerWaalsContact CB-CE1 3.43Å; C88-H110 WeakPolarHBondContact CB-CE1 3.3Å; C88-H110 WeakPolarHBondContact CB-ND1 3.04Å; C88-H110 PolarHBondContact SG-ND1 3.26Å; C88-C113 VanDerWaalsContact SG-CB 3.57Å
89A94.1Very high92.2Very high29 Ų2965.7 Ų65.724%0.2437%0.365CS..THydrogen-bonded Turntrans-66.9-25.6-178.600000113.6N87 N107 V108 Y109N87-A89 PolarHBondContact O-N 3.38Å; A89-N107 HydrophobicContact CB-CB 3.85Å; A89-V108 PolarHBondContact N-O 3.18Å; A89-Y109 HydrophobicContact CB-CD1 4.16Å; A89-Y109 HydrophobicContact CB-CE1 3.53Å; A89-Y109 HydrophobicContact CB-CE2 4.43Å
90A93.2Very high92.1Very high31 Ų3170.8 Ų70.826%0.25639%0.389SS..THydrogen-bonded Turntrans-81.1-45176.700000114.8C88 Y109 C113C88-A90 VanDerWaalsContact C-N 3.27Å; C88-A90 PolarHBondContact O-N 2.93Å; A90-Y109 HydrophobicContact CB-CD1 3.79Å; A90-Y109 HydrophobicContact CB-CE1 4.09Å; A90-C113 HydrophobicContact CB-CB 3.97Å
91C94.1Very high92.3Very high45 Ų4565.5 Ų65.530%0.30437%0.374SS..THydrogen-bonded Turntrans-112.1-1-174.672.30000114.7C88 K93 H110 C113C88-C91 VanDerWaalsContact CB-SG 3.59Å; C88-C91 VanDerWaalsContact SG-SG 3.63Å; C91-K93 PolarHBondContact O-N 3.47Å; C91-H110 PolarHBondContact SG-CE1 3.16Å; C91-H110 PolarHBondContact SG-ND1 2.89Å; C91-H110 VanDerWaalsContact SG-ND1 3.39Å; C91-C113 VanDerWaalsContact SG-SG 3.65Å
92S94.6Very high92.4Very high91 Ų9165.1 Ų65.164%0.63637%0.371SS*.  trans60-2.1-178.3-50.80000116.2N87 C88N87-S92 PolarHBondContact ND2-O 2.84Å; N87-S92 VanDerWaalsContact ND2-O 3.14Å; C88-S92 WeakPolarHBondContact O-CA 3.22Å; C88-S92 PolarHBondContact O-N 3.35Å
93K95.6Very high92.5Very high146 Ų14671 Ų7164%0.63539%0.391SS*.  trans-70.3154.3177.2-61.6178.5-175.91780111.5N87 C88 C91N87-K93 WeakPolarHBondContact CA-O 3.36Å; C88-K93 PolarHBondContact N-O 3.47Å; C91-K93 PolarHBondContact O-N 3.47Å
94L95Very high92.6Very high102 Ų10270.2 Ų70.253%0.53438%0.383SS..EExtended strand (participates in β ladder)trans-66.2131.5177.4-170.878000110.4G86G86-L94 CarbonylContact O-C 3.6Å
95I95.2Very high92.7Very high5 Ų571.7 Ų71.73%0.02638%0.378CS..EExtended strand (participates in β ladder)trans-98.1115.7168.8-52.1-178.2000108.2T85 G86 C88 E99 V101 V108 H110T85-I95 WeakPolarHBondContact CA-O 3.24Å; T85-I95 WeakPolarHBondContact CB-O 3.48Å; G86-I95 PolarHBondContact N-O 2.87Å; G86-I95 VanDerWaalsContact N-O 3.1Å; G86-I95 PolarHBondContact O-N 3.39Å; C88-I95 HydrophobicContact CB-CD1 3.94Å; C88-I95 HydrophobicContact CB-CG1 3.99Å; I95-E99 HydrophobicContact CG2-CB 4.05Å; I95-V101 HydrophobicContact CD1-CG1 3.89Å; I95-V101 HydrophobicContact CG2-CG1 3.42Å; I95-V101 VanDerWaalsContact CG2-CG1 3.42Å; I95-V108 HydrophobicContact CD1-CB 4.13Å; I95-V108 HydrophobicContact CD1-CG2 3.79Å; I95-H110 WeakPolarHBondContact CG1-NE2 3.32Å
96P92.3Very high92.7Very high37 Ų3777 Ų7724%0.2440%0.398CS..  trans-59.2143.9170.5-18.130.9000112.1F98 E99P96-F98 HydrophobicContact CB-CD1 3.7Å; P96-F98 HydrophobicContact CB-CE1 3.26Å; P96-F98 HydrophobicContact CB-CE2 4.4Å; P96-F98 HydrophobicContact CB-CG 4.45Å; P96-F98 HydrophobicContact CB-CZ 3.67Å; P96-F98 HydrophobicContact CG-CE1 4.14Å; P96-F98 HydrophobicContact CG-CZ 4.12Å; P96-F98 PolarHBondContact O-N 2.97Å; P96-E99 HydrophobicContact CB-CB 4.47Å; P96-E99 WeakPolarHBondContact CD-OE2 3.31Å; P96-E99 WeakPolarHBondContact O-CB 3.25Å; P96-E99 PolarHBondContact O-N 3.36Å
97A90.8Very high92.7Very high26 Ų2677.2 Ų77.222%0.21539%0.393CS..THydrogen-bonded Turntrans-66.2-14.9-174.600000115.2L79 G83 V84 T85L79-A97 WeakPolarHBondContact O-CB 3.45Å; G83-A97 VanDerWaalsContact CA-CB 3.47Å; V84-A97 WeakPolarHBondContact O-CB 3.4Å; T85-A97 HydrophobicContact CG2-CB 4.48Å
98F86.9Confident92.6Very high95 Ų9573.6 Ų73.642%0.41737%0.374SS..THydrogen-bonded Turntrans-92.4-9.2175.864.8-92.1000113L79 R80 P96L79-F98 HydrophobicContact CB-CB 3.95Å; R80-F98 HydrophobicContact CB-CD1 3.75Å; R80-F98 HydrophobicContact CB-CE1 4.16Å; R80-F98 HydrophobicContact CG-CD1 3.88Å; R80-F98 HydrophobicContact CG-CE1 3.74Å; P96-F98 HydrophobicContact CB-CD1 3.7Å; P96-F98 HydrophobicContact CB-CE1 3.26Å; P96-F98 HydrophobicContact CB-CE2 4.4Å; P96-F98 HydrophobicContact CB-CG 4.45Å; P96-F98 HydrophobicContact CB-CZ 3.67Å; P96-F98 HydrophobicContact CG-CE1 4.14Å; P96-F98 HydrophobicContact CG-CZ 4.12Å; P96-F98 PolarHBondContact O-N 2.97Å
99E92.1Very high92.6Very high76 Ų7673.5 Ų73.536%0.35537%0.374SS..SBendtrans-77.5142.8-177.8-164.2177150.300110.8I95 P96 H110I95-E99 HydrophobicContact CG2-CB 4.05Å; P96-E99 HydrophobicContact CB-CB 4.47Å; P96-E99 WeakPolarHBondContact CD-OE2 3.31Å; P96-E99 WeakPolarHBondContact O-CB 3.25Å; P96-E99 PolarHBondContact O-N 3.36Å; E99-H110 IonicContact OE1-CD2 2.81Å; E99-H110 PolarHBondContact OE1-CD2 3.36Å; E99-H110 VanDerWaalsContact OE1-CD2 3.25Å; E99-H110 IonicContact OE2-CD2 2.59Å
100M91.2Very high92.6Very high147 Ų14773.2 Ų73.272%0.72437%0.367SS*.  trans-73.8137.2172.3-67.7-175.717600109.9L111M100-L111 HydrophobicContact CB-CD1 4.09Å; M100-L111 HydrophobicContact CB-CG 4.46Å
101V94.3Very high92.7Very high43 Ų4376 Ų7626%0.26138%0.378SS..EExtended strand (participates in β ladder)trans-131.9153.3-174.8-63.40000111.7I95 R103 Y109I95-V101 HydrophobicContact CD1-CG1 3.89Å; I95-V101 HydrophobicContact CG2-CG1 3.42Å; I95-V101 VanDerWaalsContact CG2-CG1 3.42Å; V101-R103 HydrophobicContact CG2-CG 4.27Å; V101-Y109 WeakPolarHBondContact CA-O 2.88Å; V101-Y109 WeakPolarHBondContact CB-O 3.26Å
102M94Very high92.6Very high72 Ų7279 Ų7936%0.35539%0.39SS..EExtended strand (participates in β ladder)trans-89.7140.9162.7-66.1-62-78.400109.5V108 Y109 L111 F114M102-V108 WeakPolarHBondContact O-CA 3.32Å; M102-Y109 PolarHBondContact N-O 3.32Å; M102-Y109 PolarHBondContact O-N 3.3Å; M102-L111 HydrophobicContact CG-CD2 3.83Å; M102-L111 HydrophobicContact SD-CD2 4.18Å; M102-F114 HydrophobicContact CB-CB 3.85Å; M102-F114 HydrophobicContact CB-CD1 4.28Å; M102-F114 HydrophobicContact CB-CD2 3.53Å; M102-F114 HydrophobicContact CB-CE2 4.15Å; M102-F114 HydrophobicContact CB-CG 3.61Å; M102-F114 HydrophobicContact CE-CD1 3.59Å; M102-F114 HydrophobicContact CE-CE1 3.58Å; M102-F114 HydrophobicContact CE-CG 4.15Å; M102-F114 HydrophobicContact CE-CZ 4.13Å; M102-F114 HydrophobicContact CG-CB 3.65Å; M102-F114 HydrophobicContact CG-CD1 3.99Å; M102-F114 HydrophobicContact CG-CD2 4.11Å; M102-F114 HydrophobicContact CG-CG 3.63Å
103R92.6Very high92.6Very high184 Ų18476.1 Ų76.169%0.69437%0.37SS*.EExtended strand (participates in β ladder)trans-120.5130.6175.7-64.9-172.4176.3-95.6-2.9109.9V101 N107 V108V101-R103 HydrophobicContact CG2-CG 4.27Å; R103-N107 WeakPolarHBondContact CA-O 3.25Å; R103-V108 HydrophobicContact CG-CG1 4.22Å
104A90.4Very high92.6Very high7 Ų770 Ų706%0.05834%0.344CS..EExtended strand (participates in β ladder)trans-137.7111.9173.500000109.4E106 N107 Y109 F114 F129A104-E106 PolarHBondContact O-N 2.99Å; A104-N107 PolarHBondContact N-O 3.35Å; A104-N107 PolarHBondContact O-N 3.34Å; A104-N107 VanDerWaalsContact O-N 3.09Å; A104-Y109 HydrophobicContact CB-CE2 4.15Å; A104-F114 HydrophobicContact CB-CE2 4.17Å; A104-F129 HydrophobicContact CB-CE2 3.97Å; A104-F129 HydrophobicContact CB-CZ 4.23Å
105K88.3Confident92.7Very high169 Ų16965.6 Ų65.674%0.73532%0.323SS*.THydrogen-bonded Turntrans52.6-126.5-166.5-54.1-171.8-174.6174.10110.1N107 L131K105-N107 VanDerWaalsContact C-N 3.31Å; K105-N107 PolarHBondContact O-N 2.94Å; K105-L131 HydrophobicContact CB-CD2 4.43Å; K105-L131 HydrophobicContact CD-CD2 3.86Å; K105-L131 HydrophobicContact CG-CD2 4.16Å
106E89.1Confident92.6Very high184 Ų18465.4 Ų65.486%0.8632%0.321SS*.THydrogen-bonded Turntrans-82.5-5179.8-57.1-52.3120.700113.8A104A104-E106 PolarHBondContact O-N 2.99Å
107N91.4Very high92.7Very high31 Ų3166.9 Ų66.917%0.16633%0.325CS..EExtended strand (participates in β ladder)trans-94.9146.8-174.6-66.4-57.9000112.8A89 R103 A104 K105 Y109 N134A89-N107 HydrophobicContact CB-CB 3.85Å; R103-N107 WeakPolarHBondContact CA-O 3.25Å; A104-N107 PolarHBondContact N-O 3.35Å; A104-N107 PolarHBondContact O-N 3.34Å; A104-N107 VanDerWaalsContact O-N 3.09Å; K105-N107 VanDerWaalsContact C-N 3.31Å; K105-N107 PolarHBondContact O-N 2.94Å; N107-Y109 HydrophobicContact CB-CD2 4.33Å; N107-Y109 HydrophobicContact CB-CE2 3.34Å; N107-Y109 WeakPolarHBondContact CB-OH 3.45Å; N107-N134 PolarHBondContact ND2-OD1 3.12Å; N107-N134 PolarHBondContact OD1-OD1 3.18Å
108V94.1Very high92.7Very high24 Ų2470.6 Ų70.615%0.14534%0.341CS..EExtended strand (participates in β ladder)trans-116143173.1-61.20000110.1N87 C88 A89 I95 M102 R103N87-V108 WeakPolarHBondContact O-CG2 3.29Å; C88-V108 CarbonylContact C-O 3.58Å; C88-V108 WeakPolarHBondContact CA-O 3.31Å; A89-V108 PolarHBondContact N-O 3.18Å; I95-V108 HydrophobicContact CD1-CB 4.13Å; I95-V108 HydrophobicContact CD1-CG2 3.79Å; M102-V108 WeakPolarHBondContact O-CA 3.32Å; R103-V108 HydrophobicContact CG-CG1 4.22Å
109Y94.5Very high93Very high0 Ų068.8 Ų68.80%034%0.339CS..EExtended strand (participates in β ladder)trans-136.8145.1-178.3-55.2-97000109.8A89 A90 V101 M102 A104 N107 F114 I136A89-Y109 HydrophobicContact CB-CD1 4.16Å; A89-Y109 HydrophobicContact CB-CE1 3.53Å; A89-Y109 HydrophobicContact CB-CE2 4.43Å; A90-Y109 HydrophobicContact CB-CD1 3.79Å; A90-Y109 HydrophobicContact CB-CE1 4.09Å; V101-Y109 WeakPolarHBondContact CA-O 2.88Å; V101-Y109 WeakPolarHBondContact CB-O 3.26Å; M102-Y109 PolarHBondContact N-O 3.32Å; M102-Y109 PolarHBondContact O-N 3.3Å; A104-Y109 HydrophobicContact CB-CE2 4.15Å; N107-Y109 HydrophobicContact CB-CD2 4.33Å; N107-Y109 HydrophobicContact CB-CE2 3.34Å; N107-Y109 WeakPolarHBondContact CB-OH 3.45Å; Y109-F114 AromaticContact CD2-CD2 3.98Å; Y109-F114 HydrophobicContact CD2-CD2 3.98Å; Y109-F114 HydrophobicContact CD2-CE2 4.35Å; Y109-F114 HydrophobicContact CG-CD2 4.08Å; Y109-I136 HydrophobicContact CD1-CD1 3.7Å; Y109-I136 HydrophobicContact CD2-CD1 4.01Å; Y109-I136 HydrophobicContact CE1-CD1 3.35Å; Y109-I136 HydrophobicContact CE1-CG1 4.1Å; Y109-I136 HydrophobicContact CE2-CD1 3.68Å; Y109-I136 HydrophobicContact CE2-CG1 4.47Å; Y109-I136 HydrophobicContact CG-CD1 4.03Å
110H95.9Very high93.1Very high22 Ų2271.2 Ų71.210%0.10236%0.355CS..EExtended strand (participates in β ladder)trans-59.1153.2161.6-55.4110.5000109.4C88 C91 I95 E99 D112 C113 F114C88-H110 VanDerWaalsContact CB-CE1 3.43Å; C88-H110 WeakPolarHBondContact CB-CE1 3.3Å; C88-H110 WeakPolarHBondContact CB-ND1 3.04Å; C88-H110 PolarHBondContact SG-ND1 3.26Å; C91-H110 PolarHBondContact SG-CE1 3.16Å; C91-H110 PolarHBondContact SG-ND1 2.89Å; C91-H110 VanDerWaalsContact SG-ND1 3.39Å; I95-H110 WeakPolarHBondContact CG1-NE2 3.32Å; E99-H110 IonicContact OE1-CD2 2.81Å; E99-H110 PolarHBondContact OE1-CD2 3.36Å; E99-H110 VanDerWaalsContact OE1-CD2 3.25Å; E99-H110 IonicContact OE2-CD2 2.59Å; H110-D112 PolarHBondContact O-N 2.08Å; H110-C113 HydrophobicContact CB-CB 4Å; H110-C113 PolarHBondContact ND1-SG 2.76Å; H110-C113 PolarHBondContact O-N 2.83Å; H110-F114 PolarHBondContact O-N 3.29Å; H110-F114 VanDerWaalsContact O-N 3.13Å
111L93.9Very high93.2Very high90 Ų9068.9 Ų68.947%0.47134%0.342SS..G310 helixtrans-55.9-42.7175.7-59.3-175.4000111.5M100 M102 C113 F114M100-L111 HydrophobicContact CB-CD1 4.09Å; M100-L111 HydrophobicContact CB-CG 4.46Å; M102-L111 HydrophobicContact CG-CD2 3.83Å; M102-L111 HydrophobicContact SD-CD2 4.18Å; L111-C113 VanDerWaalsContact C-N 3.29Å; L111-C113 PolarHBondContact O-N 2.9Å; L111-F114 PolarHBondContact O-N 2.96Å
112D93.3Very high93.2Very high107 Ų10774.3 Ų74.357%0.57236%0.358SS*.G310 helixtrans-72.6-20.2178-70.8-49.3000114.1H110 R122H110-D112 PolarHBondContact O-N 2.08Å; D112-R122 IonicContact OD1-CZ 3.68Å; D112-R122 VanDerWaalsContact OD1-CZ 3.26Å; D112-R122 IonicContact OD1-NH1 3.98Å; D112-R122 PolarHBondContact OD1-NH1 3.22Å; D112-R122 IonicContact OD1-NH2 2.76Å; D112-R122 PolarHBondContact OD1-NH2 2.87Å
113C94.6Very high93.2Very high32 Ų3272.5 Ų72.522%0.21635%0.348CS..G310 helixtrans-90.9-7.7178.1-64.90000112.8C88 A90 C91 H110 L111 A115C88-C113 VanDerWaalsContact SG-CB 3.57Å; A90-C113 HydrophobicContact CB-CB 3.97Å; C91-C113 VanDerWaalsContact SG-SG 3.65Å; H110-C113 HydrophobicContact CB-CB 4Å; H110-C113 PolarHBondContact ND1-SG 2.76Å; H110-C113 PolarHBondContact O-N 2.83Å; L111-C113 VanDerWaalsContact C-N 3.29Å; L111-C113 PolarHBondContact O-N 2.9Å; C113-A115 VanDerWaalsContact C-N 3.28Å; C113-A115 PolarHBondContact O-N 3.22Å
114F95.4Very high93.1Very high16 Ų1668.2 Ų68.27%0.0735%0.345CS..  trans-84.275.3176.7-163.4-100.1000110.3M102 A104 Y109 H110 L111 F123 F129 I136M102-F114 HydrophobicContact CB-CB 3.85Å; M102-F114 HydrophobicContact CB-CD1 4.28Å; M102-F114 HydrophobicContact CB-CD2 3.53Å; M102-F114 HydrophobicContact CB-CE2 4.15Å; M102-F114 HydrophobicContact CB-CG 3.61Å; M102-F114 HydrophobicContact CE-CD1 3.59Å; M102-F114 HydrophobicContact CE-CE1 3.58Å; M102-F114 HydrophobicContact CE-CG 4.15Å; M102-F114 HydrophobicContact CE-CZ 4.13Å; M102-F114 HydrophobicContact CG-CB 3.65Å; M102-F114 HydrophobicContact CG-CD1 3.99Å; M102-F114 HydrophobicContact CG-CD2 4.11Å; M102-F114 HydrophobicContact CG-CG 3.63Å; A104-F114 HydrophobicContact CB-CE2 4.17Å; Y109-F114 AromaticContact CD2-CD2 3.98Å; Y109-F114 HydrophobicContact CD2-CD2 3.98Å; Y109-F114 HydrophobicContact CD2-CE2 4.35Å; Y109-F114 HydrophobicContact CG-CD2 4.08Å; H110-F114 PolarHBondContact O-N 3.29Å; H110-F114 VanDerWaalsContact O-N 3.13Å; L111-F114 PolarHBondContact O-N 2.96Å; F114-F123 AromaticContact CD1-CD2 3.77Å; F114-F123 HydrophobicContact CD1-CD2 3.77Å; F114-F123 HydrophobicContact CE1-CB 4.41Å; F114-F123 AromaticContact CE1-CD2 3.74Å; F114-F123 HydrophobicContact CE1-CD2 3.74Å; F114-F123 HydrophobicContact CE1-CE2 4.48Å; F114-F123 HydrophobicContact CE1-CG 4.36Å; F114-F123 WeakPolarHBondContact O-CD2 3.49Å; F114-F129 HydrophobicContact CE1-CD1 4.41Å; F114-F129 HydrophobicContact CE1-CE1 4.49Å; F114-F129 HydrophobicContact CZ-CD1 4.1Å; F114-F129 HydrophobicContact CZ-CD2 4.16Å; F114-F129 AromaticContact CZ-CE1 3.92Å; F114-F129 HydrophobicContact CZ-CE1 3.92Å; F114-F129 AromaticContact CZ-CE2 3.98Å; F114-F129 HydrophobicContact CZ-CE2 3.98Å; F114-F129 HydrophobicContact CZ-CG 4.21Å; F114-F129 AromaticContact CZ-CZ 3.87Å; F114-F129 HydrophobicContact CZ-CZ 3.87Å; F114-I136 HydrophobicContact CD2-CD1 3.49Å; F114-I136 VanDerWaalsContact CD2-CD1 3.49Å; F114-I136 HydrophobicContact CE2-CD1 3.5Å; F114-I136 HydrophobicContact CE2-CG1 4.49Å; F114-I136 HydrophobicContact CG-CD1 4.45Å; F114-I136 HydrophobicContact CZ-CD1 4.48Å
115A95.6Very high93.2Very high11 Ų1175.4 Ų75.49%0.09139%0.388CS..BIsolated β-bridgetrans-141.7162.8-179.200000109.7C113 Q117 Q121 R122 F123C113-A115 VanDerWaalsContact C-N 3.28Å; C113-A115 PolarHBondContact O-N 3.22Å; A115-Q117 PolarHBondContact O-N 3Å; A115-Q121 CarbonylContact C-O 3.58Å; A115-Q121 WeakPolarHBondContact CA-O 3.21Å; A115-Q121 WeakPolarHBondContact CB-O 3.44Å; A115-R122 HydrophobicContact CB-CG 4.44Å; A115-F123 VanDerWaalsContact C-CE2 3.45Å
116C94.9Very high93.3Very high0 Ų071 Ų710%039%0.39CS..  trans-60.1126.7172.6-177.60000109.9L118 C119 N120 Q121 F123 I136 C138 D141C116-L118 PolarHBondContact O-N 3Å; C116-C119 VanDerWaalsContact CB-SG 3.51Å; C116-C119 VanDerWaalsContact SG-SG 3.66Å; C116-N120 WeakPolarHBondContact O-CA 3.4Å; C116-N120 PolarHBondContact O-N 3.16Å; C116-Q121 HydrophobicContact CB-CB 4.48Å; C116-Q121 PolarHBondContact N-O 3.4Å; C116-F123 HydrophobicContact CB-CZ 4.12Å; C116-I136 CarbonylContact C-O 3.59Å; C116-I136 WeakPolarHBondContact CA-O 3.38Å; C116-C138 HydrophobicContact CB-CB 4.05Å; C116-C138 PolarHBondContact SG-N 3Å; C116-D141 PolarHBondContact SG-OD2 3.38Å
117Q92.5Very high93.4Very high69 Ų6965.7 Ų65.732%0.32237%0.368SS..THydrogen-bonded Turntrans-79.4-3.6-177.3-68.1-174.6-88.700114.2A115 I136A115-Q117 PolarHBondContact O-N 3Å; Q117-I136 PolarHBondContact N-O 3.38Å; Q117-I136 VanDerWaalsContact OE1-N 3.13Å
118L91.9Very high93.5Very high103 Ų10370.8 Ų70.854%0.53939%0.389SS..THydrogen-bonded Turntrans-97.4-55.6173.6-65.4-176.5000111.6C116 L137 D141C116-L118 PolarHBondContact O-N 3Å; L118-L137 HydrophobicContact CB-CD2 4.41Å; L118-L137 HydrophobicContact CD1-CD2 3.7Å; L118-L137 HydrophobicContact CG-CD2 3.62Å; L118-D141 HydrophobicContact CB-CB 4.42Å; L118-D141 HydrophobicContact CD1-CB 4.13Å
119C93.8Very high93.5Very high58 Ų5873.6 Ų73.639%0.39240%0.399SS..THydrogen-bonded Turntrans-97.2-3.9-178.366.90000115.3C116 Q121 D141C116-C119 VanDerWaalsContact CB-SG 3.51Å; C116-C119 VanDerWaalsContact SG-SG 3.66Å; C119-Q121 PolarHBondContact O-N 3.29Å; C119-Q121 VanDerWaalsContact O-N 3.15Å; C119-Q121 WeakPolarHBondContact SG-CB 3.46Å; C119-D141 WeakPolarHBondContact CB-OD2 3.27Å; C119-D141 PolarHBondContact N-OD2 2.63Å; C119-D141 PolarHBondContact SG-OD2 2.94Å
120N93.9Very high93.5Very high126 Ų12676.5 Ų76.567%0.67441%0.412SS*.  trans59.715.5-174.1-62-50.9000115C116 R122C116-N120 WeakPolarHBondContact O-CA 3.4Å; C116-N120 PolarHBondContact O-N 3.16Å; N120-R122 PolarHBondContact O-N 3.2Å
121Q93.5Very high93.3Very high99 Ų9977.3 Ų77.346%0.46342%0.417SS..PPolyproline II helixtrans-64.9126.3175-178.2177.4-14.600110.7A115 C116 C119A115-Q121 CarbonylContact C-O 3.58Å; A115-Q121 WeakPolarHBondContact CA-O 3.21Å; A115-Q121 WeakPolarHBondContact CB-O 3.44Å; C116-Q121 HydrophobicContact CB-CB 4.48Å; C116-Q121 PolarHBondContact N-O 3.4Å; C119-Q121 PolarHBondContact O-N 3.29Å; C119-Q121 VanDerWaalsContact O-N 3.15Å; C119-Q121 WeakPolarHBondContact SG-CB 3.46Å
122R93.4Very high93Very high157 Ų15775 Ų7559%0.59240%0.403SS*.BIsolated β-bridgetrans-75.9142.2172.3-66.3-179.1174.3-127.4-4.7110.1D112 A115 N120D112-R122 IonicContact OD1-CZ 3.68Å; D112-R122 VanDerWaalsContact OD1-CZ 3.26Å; D112-R122 IonicContact OD1-NH1 3.98Å; D112-R122 PolarHBondContact OD1-NH1 3.22Å; D112-R122 IonicContact OD1-NH2 2.76Å; D112-R122 PolarHBondContact OD1-NH2 2.87Å; A115-R122 HydrophobicContact CB-CG 4.44Å; N120-R122 PolarHBondContact O-N 3.2Å
123F93.3Very high92.6Very high34 Ų3476.5 Ų76.515%0.14941%0.411CS..PPolyproline II helixtrans-87.6136177.2-58.3-70.2000111.5F114 A115 C116 D127 F129 I136 C138F114-F123 AromaticContact CD1-CD2 3.77Å; F114-F123 HydrophobicContact CD1-CD2 3.77Å; F114-F123 HydrophobicContact CE1-CB 4.41Å; F114-F123 AromaticContact CE1-CD2 3.74Å; F114-F123 HydrophobicContact CE1-CD2 3.74Å; F114-F123 HydrophobicContact CE1-CE2 4.48Å; F114-F123 HydrophobicContact CE1-CG 4.36Å; F114-F123 WeakPolarHBondContact O-CD2 3.49Å; A115-F123 VanDerWaalsContact C-CE2 3.45Å; C116-F123 HydrophobicContact CB-CZ 4.12Å; F123-D127 HydrophobicContact CB-CB 4.34Å; F123-D127 HydrophobicContact CD1-CB 4.16Å; F123-F129 HydrophobicContact CD1-CB 4.17Å; F123-F129 HydrophobicContact CE1-CB 3.74Å; F123-F129 HydrophobicContact CE2-CB 4.19Å; F123-F129 HydrophobicContact CZ-CB 3.76Å; F123-I136 HydrophobicContact CD2-CG2 4.49Å; F123-I136 HydrophobicContact CE2-CG2 3.42Å; F123-I136 VanDerWaalsContact CE2-CG2 3.42Å; F123-I136 HydrophobicContact CZ-CG2 3.75Å; F123-C138 HydrophobicContact CE1-CB 3.83Å; F123-C138 HydrophobicContact CZ-CB 4.31Å
124C91.9Very high92Very high93 Ų9378.8 Ų78.863%0.62842%0.421SS*.PPolyproline II helixtrans-92.5163167.2-72.40000110.8G126 D127C124-G126 PolarHBondContact O-N 3.4Å; C124-D127 PolarHBondContact N-OD2 3.23Å; C124-D127 WeakPolarHBondContact O-CB 3.21Å; C124-D127 PolarHBondContact O-N 3.5Å
125V91Very high91.7Very high158 Ų15881.5 Ų81.596%0.95844%0.435SS*.THydrogen-bonded Turntrans-60.6125.3173.8178.60000109.2
126G91Very high91.6Very high76 Ų7681 Ų8178%0.78443%0.43SS*.THydrogen-bonded Turntrans99.6-13.5-177.100000114.3C124C124-G126 PolarHBondContact O-N 3.4Å
127D92.3Very high91.5Very high73 Ų7381.3 Ų81.339%0.3943%0.432SS..  trans-68.3141.1176.9-70.5-11.2000111.5F123 C124F123-D127 HydrophobicContact CB-CB 4.34Å; F123-D127 HydrophobicContact CD1-CB 4.16Å; C124-D127 PolarHBondContact N-OD2 3.23Å; C124-D127 WeakPolarHBondContact O-CB 3.21Å; C124-D127 PolarHBondContact O-N 3.5Å
128K92.7Very high91.6Very high139 Ų13978.3 Ų78.360%0.60442%0.419SS*.  trans-81.4135.3170.5-65.2178.8-174.7171.90109.6F130K128-F130 HydrophobicContact CB-CE2 4.45Å
129F94.4Very high91.7Very high83 Ų8377 Ų7736%0.36441%0.41SS..EExtended strand (participates in β ladder)trans-132.3157.2170.771.9-87.7000109.8A104 F114 F123 I136 L137A104-F129 HydrophobicContact CB-CE2 3.97Å; A104-F129 HydrophobicContact CB-CZ 4.23Å; F114-F129 HydrophobicContact CE1-CD1 4.41Å; F114-F129 HydrophobicContact CE1-CE1 4.49Å; F114-F129 HydrophobicContact CZ-CD1 4.1Å; F114-F129 HydrophobicContact CZ-CD2 4.16Å; F114-F129 AromaticContact CZ-CE1 3.92Å; F114-F129 HydrophobicContact CZ-CE1 3.92Å; F114-F129 AromaticContact CZ-CE2 3.98Å; F114-F129 HydrophobicContact CZ-CE2 3.98Å; F114-F129 HydrophobicContact CZ-CG 4.21Å; F114-F129 AromaticContact CZ-CZ 3.87Å; F114-F129 HydrophobicContact CZ-CZ 3.87Å; F123-F129 HydrophobicContact CD1-CB 4.17Å; F123-F129 HydrophobicContact CE1-CB 3.74Å; F123-F129 HydrophobicContact CE2-CB 4.19Å; F123-F129 HydrophobicContact CZ-CB 3.76Å; F129-I136 HydrophobicContact CB-CG2 4.26Å; F129-I136 HydrophobicContact CD2-CG2 4.09Å; F129-I136 HydrophobicContact CG-CG2 4.5Å; F129-L137 WeakPolarHBondContact CA-O 3.38Å
130F93.4Very high91.7Very high60 Ų6078.1 Ų78.126%0.26342%0.415SS..EExtended strand (participates in β ladder)trans-124.8145.5-179.7-62.7-92000109.8K128 I136 L137 Q139 Y142K128-F130 HydrophobicContact CB-CE2 4.45Å; F130-I136 WeakPolarHBondContact O-CA 3.31Å; F130-L137 PolarHBondContact N-O 3.37Å; F130-L137 PolarHBondContact O-N 3.44Å; F130-Q139 HydrophobicContact CE2-CB 3.93Å; F130-Q139 HydrophobicContact CE2-CG 4Å; F130-Y142 HydrophobicContact CB-CD1 4.13Å; F130-Y142 HydrophobicContact CB-CD2 3.48Å; F130-Y142 VanDerWaalsContact CB-CD2 3.48Å; F130-Y142 HydrophobicContact CB-CE2 3.91Å; F130-Y142 HydrophobicContact CB-CG 3.6Å; F130-Y142 AromaticContact CD1-CD1 3.65Å; F130-Y142 HydrophobicContact CD1-CD1 3.65Å; F130-Y142 HydrophobicContact CD1-CD2 4.36Å; F130-Y142 AromaticContact CD1-CE1 3.6Å; F130-Y142 HydrophobicContact CD1-CE1 3.6Å; F130-Y142 HydrophobicContact CD1-CE2 4.32Å; F130-Y142 HydrophobicContact CD1-CG 4.04Å; F130-Y142 AromaticContact CD1-CZ 3.96Å; F130-Y142 AromaticContact CD2-CD1 3.81Å; F130-Y142 HydrophobicContact CD2-CD1 3.81Å; F130-Y142 AromaticContact CD2-CG 3.78Å; F130-Y142 HydrophobicContact CD2-CG 3.78Å; F130-Y142 AromaticContact CE1-CD1 3.96Å; F130-Y142 HydrophobicContact CE1-CD1 3.96Å; F130-Y142 AromaticContact CE1-CE1 3.9Å; F130-Y142 HydrophobicContact CE1-CE1 3.9Å; F130-Y142 HydrophobicContact CE2-CD1 4.13Å; F130-Y142 AromaticContact CG-CD1 3.57Å; F130-Y142 HydrophobicContact CG-CD1 3.57Å; F130-Y142 AromaticContact CG-CD2 3.89Å; F130-Y142 HydrophobicContact CG-CD2 3.89Å; F130-Y142 AromaticContact CG-CE1 3.98Å; F130-Y142 HydrophobicContact CG-CE1 3.98Å; F130-Y142 HydrophobicContact CG-CE2 4.28Å; F130-Y142 AromaticContact CG-CG 3.52Å; F130-Y142 HydrophobicContact CG-CG 3.52Å; F130-Y142 HydrophobicContact CZ-CD1 4.18Å
131L92.1Very high91.6Very high39 Ų3973.4 Ų73.420%0.20439%0.39CS..EExtended strand (participates in β ladder)trans-115.6109.4176.8-169.477.8000109.4K105 M135 I136K105-L131 HydrophobicContact CB-CD2 4.43Å; K105-L131 HydrophobicContact CD-CD2 3.86Å; K105-L131 HydrophobicContact CG-CD2 4.16Å; L131-M135 WeakPolarHBondContact CA-O 3.41Å; L131-I136 HydrophobicContact CD1-CG1 3.7Å
132K88.2Confident91.6Very high43 Ų4371.7 Ų71.719%0.18738%0.38CS..EExtended strand (participates in β ladder)trans-129.4125.9-178.4-171.5-175.6-174.7-174.60110.3N134 M135 L137 Y142 E149K132-N134 PolarHBondContact O-N 3.06Å; K132-M135 PolarHBondContact N-O 2.85Å; K132-M135 WeakPolarHBondContact O-CA 3.42Å; K132-M135 WeakPolarHBondContact O-CB 3.36Å; K132-M135 PolarHBondContact O-N 3.08Å; K132-L137 HydrophobicContact CB-CD1 4.31Å; K132-Y142 HydrophobicContact CB-CE2 4.3Å; K132-Y142 HydrophobicContact CD-CE2 4.19Å; K132-E149 IonicContact NZ-OE1 3.8Å; K132-E149 PolarHBondContact NZ-OE1 2.86Å; K132-E149 IonicContact NZ-OE2 2.89Å; K132-E149 PolarHBondContact NZ-OE2 2.89Å
133N84.8Confident91.5Very high137 Ų13768.3 Ų68.373%0.73337%0.37SS*.THydrogen-bonded Turntrans49.841.8-176.8-60.6-19.4000113.2M135N133-M135 PolarHBondContact O-N 3.24Å
134N83Confident91.2Very high80 Ų8071.4 Ų71.443%0.42839%0.385SS..THydrogen-bonded Turntrans64.89.3-174.6-139.253.5000115.7N107 K132N107-N134 PolarHBondContact ND2-OD1 3.12Å; N107-N134 PolarHBondContact OD1-OD1 3.18Å; K132-N134 PolarHBondContact O-N 3.06Å
135M88.1Confident90.7Very high73 Ų7368.3 Ų68.336%0.3637%0.369SS..EExtended strand (participates in β ladder)trans-97.7133.3174.7-58-172-58.500111.5L131 K132 N133 L137L131-M135 WeakPolarHBondContact CA-O 3.41Å; K132-M135 PolarHBondContact N-O 2.85Å; K132-M135 WeakPolarHBondContact O-CA 3.42Å; K132-M135 WeakPolarHBondContact O-CB 3.36Å; K132-M135 PolarHBondContact O-N 3.08Å; N133-M135 PolarHBondContact O-N 3.24Å; M135-L137 HydrophobicContact CB-CD2 4.49Å
136I92.6Very high89.8Confident0 Ų064.4 Ų64.40%034%0.342CS..EExtended strand (participates in β ladder)trans-86.1126.3171.5-59.5166.1000108.7Y109 F114 C116 Q117 F123 F129 F130 L131Y109-I136 HydrophobicContact CD1-CD1 3.7Å; Y109-I136 HydrophobicContact CD2-CD1 4.01Å; Y109-I136 HydrophobicContact CE1-CD1 3.35Å; Y109-I136 HydrophobicContact CE1-CG1 4.1Å; Y109-I136 HydrophobicContact CE2-CD1 3.68Å; Y109-I136 HydrophobicContact CE2-CG1 4.47Å; Y109-I136 HydrophobicContact CG-CD1 4.03Å; F114-I136 HydrophobicContact CD2-CD1 3.49Å; F114-I136 VanDerWaalsContact CD2-CD1 3.49Å; F114-I136 HydrophobicContact CE2-CD1 3.5Å; F114-I136 HydrophobicContact CE2-CG1 4.49Å; F114-I136 HydrophobicContact CG-CD1 4.45Å; F114-I136 HydrophobicContact CZ-CD1 4.48Å; C116-I136 CarbonylContact C-O 3.59Å; C116-I136 WeakPolarHBondContact CA-O 3.38Å; Q117-I136 PolarHBondContact N-O 3.38Å; Q117-I136 VanDerWaalsContact OE1-N 3.13Å; F123-I136 HydrophobicContact CD2-CG2 4.49Å; F123-I136 HydrophobicContact CE2-CG2 3.42Å; F123-I136 VanDerWaalsContact CE2-CG2 3.42Å; F123-I136 HydrophobicContact CZ-CG2 3.75Å; F129-I136 HydrophobicContact CB-CG2 4.26Å; F129-I136 HydrophobicContact CD2-CG2 4.09Å; F129-I136 HydrophobicContact CG-CG2 4.5Å; F130-I136 WeakPolarHBondContact O-CA 3.31Å; L131-I136 HydrophobicContact CD1-CG1 3.7Å
137L93.9Very high88.5Confident8 Ų867.9 Ų67.94%0.04234%0.34CS..EExtended strand (participates in β ladder)trans-125.7143.8-178-58.8177.2000110.5L118 F129 F130 K132 M135 Y142L118-L137 HydrophobicContact CB-CD2 4.41Å; L118-L137 HydrophobicContact CD1-CD2 3.7Å; L118-L137 HydrophobicContact CG-CD2 3.62Å; F129-L137 WeakPolarHBondContact CA-O 3.38Å; F130-L137 PolarHBondContact N-O 3.37Å; F130-L137 PolarHBondContact O-N 3.44Å; K132-L137 HydrophobicContact CB-CD1 4.31Å; M135-L137 HydrophobicContact CB-CD2 4.49Å; L137-Y142 HydrophobicContact CD1-CD2 4.21Å
138C94.9Very high87.1Confident6 Ų671.7 Ų71.74%0.04135%0.353CS..EExtended strand (participates in β ladder)trans-72.8167167.272.10000110.4C116 F123 T140 D141 Y142C116-C138 HydrophobicContact CB-CB 4.05Å; C116-C138 PolarHBondContact SG-N 3Å; F123-C138 HydrophobicContact CE1-CB 3.83Å; F123-C138 HydrophobicContact CZ-CB 4.31Å; C138-T140 VanDerWaalsContact C-N 3.33Å; C138-T140 PolarHBondContact O-N 3Å; C138-D141 PolarHBondContact O-N 3.49Å; C138-D141 PolarHBondContact SG-N 3.41Å; C138-D141 PolarHBondContact SG-OD2 3.44Å; C138-D141 VanDerWaalsContact SG-OD2 3.38Å; C138-Y142 VanDerWaalsContact O-CB 3.26Å; C138-Y142 WeakPolarHBondContact O-CB 3.47Å; C138-Y142 PolarHBondContact O-N 3.28Å
139Q93.5Very high85.5Confident76 Ų7671 Ų7136%0.35535%0.352SS..Hα-helixtrans-56.7-46.2-179-177.4174.5-13.600112.4F130 Y142 E143F130-Q139 HydrophobicContact CE2-CB 3.93Å; F130-Q139 HydrophobicContact CE2-CG 4Å; Q139-Y142 PolarHBondContact O-N 3.25Å; Q139-E143 HydrophobicContact CG-CG 4.44Å; Q139-E143 WeakPolarHBondContact CG-OE1 3.5Å; Q139-E143 PolarHBondContact NE2-OE1 2.93Å; Q139-E143 WeakPolarHBondContact O-CB 3.38Å; Q139-E143 WeakPolarHBondContact O-CG 3.45Å; Q139-E143 PolarHBondContact O-N 3.18Å
140T93.4Very high83.4Confident81 Ų8170.2 Ų70.250%0.49737%0.368SS..Hα-helixtrans-60.2-53.9-179.4-50.20000111.9C138 Y142 E143 E144C138-T140 VanDerWaalsContact C-N 3.33Å; C138-T140 PolarHBondContact O-N 3Å; T140-Y142 VanDerWaalsContact C-N 3.27Å; T140-Y142 PolarHBondContact O-N 2.84Å; T140-E143 PolarHBondContact O-N 2.8Å; T140-E144 WeakPolarHBondContact O-CG 3.33Å; T140-E144 PolarHBondContact O-N 2.83Å
141D93Very high81Confident27 Ų2776.5 Ų76.514%0.14439%0.391CS..Hα-helixtrans-64.9-32.3-178.7-76.2-28.7000112.7C116 L118 C119 C138 G145C116-D141 PolarHBondContact SG-OD2 3.38Å; L118-D141 HydrophobicContact CB-CB 4.42Å; L118-D141 HydrophobicContact CD1-CB 4.13Å; C119-D141 WeakPolarHBondContact CB-OD2 3.27Å; C119-D141 PolarHBondContact N-OD2 2.63Å; C119-D141 PolarHBondContact SG-OD2 2.94Å; C138-D141 PolarHBondContact O-N 3.49Å; C138-D141 PolarHBondContact SG-N 3.41Å; C138-D141 PolarHBondContact SG-OD2 3.44Å; C138-D141 VanDerWaalsContact SG-OD2 3.38Å; D141-G145 PolarHBondContact O-N 3.1Å
142Y92.2Very high78.5Confident63 Ų6378.7 Ų78.725%0.24742%0.415CS..Hα-helixtrans-66.8-48.6174.7-179.2-102.9000111.5F130 K132 L137 C138 Q139 T140 G145 L146F130-Y142 HydrophobicContact CB-CD1 4.13Å; F130-Y142 HydrophobicContact CB-CD2 3.48Å; F130-Y142 VanDerWaalsContact CB-CD2 3.48Å; F130-Y142 HydrophobicContact CB-CE2 3.91Å; F130-Y142 HydrophobicContact CB-CG 3.6Å; F130-Y142 AromaticContact CD1-CD1 3.65Å; F130-Y142 HydrophobicContact CD1-CD1 3.65Å; F130-Y142 HydrophobicContact CD1-CD2 4.36Å; F130-Y142 AromaticContact CD1-CE1 3.6Å; F130-Y142 HydrophobicContact CD1-CE1 3.6Å; F130-Y142 HydrophobicContact CD1-CE2 4.32Å; F130-Y142 HydrophobicContact CD1-CG 4.04Å; F130-Y142 AromaticContact CD1-CZ 3.96Å; F130-Y142 AromaticContact CD2-CD1 3.81Å; F130-Y142 HydrophobicContact CD2-CD1 3.81Å; F130-Y142 AromaticContact CD2-CG 3.78Å; F130-Y142 HydrophobicContact CD2-CG 3.78Å; F130-Y142 AromaticContact CE1-CD1 3.96Å; F130-Y142 HydrophobicContact CE1-CD1 3.96Å; F130-Y142 AromaticContact CE1-CE1 3.9Å; F130-Y142 HydrophobicContact CE1-CE1 3.9Å; F130-Y142 HydrophobicContact CE2-CD1 4.13Å; F130-Y142 AromaticContact CG-CD1 3.57Å; F130-Y142 HydrophobicContact CG-CD1 3.57Å; F130-Y142 AromaticContact CG-CD2 3.89Å; F130-Y142 HydrophobicContact CG-CD2 3.89Å; F130-Y142 AromaticContact CG-CE1 3.98Å; F130-Y142 HydrophobicContact CG-CE1 3.98Å; F130-Y142 HydrophobicContact CG-CE2 4.28Å; F130-Y142 AromaticContact CG-CG 3.52Å; F130-Y142 HydrophobicContact CG-CG 3.52Å; F130-Y142 HydrophobicContact CZ-CD1 4.18Å; K132-Y142 HydrophobicContact CB-CE2 4.3Å; K132-Y142 HydrophobicContact CD-CE2 4.19Å; L137-Y142 HydrophobicContact CD1-CD2 4.21Å; C138-Y142 VanDerWaalsContact O-CB 3.26Å; C138-Y142 WeakPolarHBondContact O-CB 3.47Å; C138-Y142 PolarHBondContact O-N 3.28Å; Q139-Y142 PolarHBondContact O-N 3.25Å; T140-Y142 VanDerWaalsContact C-N 3.27Å; T140-Y142 PolarHBondContact O-N 2.84Å; Y142-G145 PolarHBondContact O-N 3.02Å; Y142-L146 HydrophobicContact CD1-CD1 4.04Å; Y142-L146 HydrophobicContact CE1-CD1 3.51Å; Y142-L146 HydrophobicContact CE1-CG 4.3Å; Y142-L146 WeakPolarHBondContact O-CG 3.34Å; Y142-L146 PolarHBondContact O-N 2.87Å; Y142-L146 VanDerWaalsContact O-N 3.12Å
143E91.6Very high76.3Confident86 Ų8681 Ų8140%0.40243%0.434SS..Hα-helixtrans-65-43.1179.4-71.6171.6-176.500111.7Q139 T140 G145 L146 M147Q139-E143 HydrophobicContact CG-CG 4.44Å; Q139-E143 WeakPolarHBondContact CG-OE1 3.5Å; Q139-E143 PolarHBondContact NE2-OE1 2.93Å; Q139-E143 WeakPolarHBondContact O-CB 3.38Å; Q139-E143 WeakPolarHBondContact O-CG 3.45Å; Q139-E143 PolarHBondContact O-N 3.18Å; T140-E143 PolarHBondContact O-N 2.8Å; E143-G145 VanDerWaalsContact C-N 3.34Å; E143-G145 PolarHBondContact O-N 3.26Å; E143-L146 PolarHBondContact O-N 2.81Å; E143-M147 WeakPolarHBondContact O-CG 3.07Å; E143-M147 PolarHBondContact O-N 3.48Å
144E88.1Confident74.2Confident99 Ų9983.6 Ų83.646%0.46344%0.442SS..Hα-helixtrans-62.6-39.3175.1-74.1-170.5-171.500112.6T140 L146 M147 K148T140-E144 WeakPolarHBondContact O-CG 3.33Å; T140-E144 PolarHBondContact O-N 2.83Å; E144-L146 VanDerWaalsContact C-N 3.34Å; E144-L146 PolarHBondContact O-N 2.89Å; E144-M147 PolarHBondContact O-N 2.89Å; E144-K148 PolarHBondContact O-N 2.96Å
145G81Confident72.2Confident27 Ų2786.3 Ų86.328%0.27846%0.461SS..Hα-helixtrans-63.3-38.2175.900000112.9D141 Y142 E143 K148 E149D141-G145 PolarHBondContact O-N 3.1Å; Y142-G145 PolarHBondContact O-N 3.02Å; E143-G145 VanDerWaalsContact C-N 3.34Å; E143-G145 PolarHBondContact O-N 3.26Å; G145-K148 PolarHBondContact O-N 2.95Å; G145-E149 PolarHBondContact O-N 3.38Å
146L72.1Confident69.7Low77 Ų7797.6 Ų97.640%0.40350%0.5SS..Hα-helixtrans-66.3-37.2175.4-69.6176.3000112.3Y142 E143 E144 K148 E149 G150Y142-L146 HydrophobicContact CD1-CD1 4.04Å; Y142-L146 HydrophobicContact CE1-CD1 3.51Å; Y142-L146 HydrophobicContact CE1-CG 4.3Å; Y142-L146 WeakPolarHBondContact O-CG 3.34Å; Y142-L146 PolarHBondContact O-N 2.87Å; Y142-L146 VanDerWaalsContact O-N 3.12Å; E143-L146 PolarHBondContact O-N 2.81Å; E144-L146 VanDerWaalsContact C-N 3.34Å; E144-L146 PolarHBondContact O-N 2.89Å; L146-K148 VanDerWaalsContact C-N 3.29Å; L146-K148 PolarHBondContact O-N 2.86Å; L146-E149 PolarHBondContact O-N 2.89Å; L146-G150 PolarHBondContact O-N 3.02Å
147M63.8Low68.6Low149 Ų149102.5 Ų102.573%0.73453%0.525SS*.Hα-helixtrans-65.6-32.6176.8-67.3-175.5-176.300112.2E143 E144E143-M147 WeakPolarHBondContact O-CG 3.07Å; E143-M147 PolarHBondContact O-N 3.48Å; E144-M147 PolarHBondContact O-N 2.89Å
148K61.5Low67.2Low153 Ų153107.5 Ų107.567%0.66555%0.55SS*.Hα-helixtrans-76-34.7178.1-69.7178.4-175.9170.30113.4E144 G145 L146 G150 Y151E144-K148 PolarHBondContact O-N 2.96Å; G145-K148 PolarHBondContact O-N 2.95Å; L146-K148 VanDerWaalsContact C-N 3.29Å; L146-K148 PolarHBondContact O-N 2.86Å; K148-G150 PolarHBondContact O-N 2.81Å; K148-Y151 PolarHBondContact O-N 2.96Å
149E58.9Low65.7Low123 Ų123113.1 Ų113.158%0.57558%0.578SS**Hα-helixtrans-71.4-19175.5-73.3177.3161.300113.4K132 G145 L146 Y151K132-E149 IonicContact NZ-OE1 3.8Å; K132-E149 PolarHBondContact NZ-OE1 2.86Å; K132-E149 IonicContact NZ-OE2 2.89Å; K132-E149 PolarHBondContact NZ-OE2 2.89Å; G145-E149 PolarHBondContact O-N 3.38Å; L146-E149 PolarHBondContact O-N 2.89Å; E149-Y151 VanDerWaalsContact C-N 3.27Å; E149-Y151 PolarHBondContact O-N 3.36Å
150G50.5Low64.1Low68 Ų68115.3 Ų115.370%0.70159%0.591SS**THydrogen-bonded Turntrans-77.1-5.4171.100000114.9L146 K148L146-G150 PolarHBondContact O-N 3.02Å; K148-G150 PolarHBondContact O-N 2.81Å
151Y43.8Very low62.2Low192 Ų192117.4 Ų117.475%0.75360%0.597SS**  trans-124.763.1-178.5-146.7-89000110.5K148 E149 P153K148-Y151 PolarHBondContact O-N 2.96Å; E149-Y151 VanDerWaalsContact C-N 3.27Å; E149-Y151 PolarHBondContact O-N 3.36Å; Y151-P153 WeakPolarHBondContact O-CD 3.46Å
152A38.6Very low60.2Low85 Ų85123.5 Ų123.570%0.70263%0.628SS**  trans-75.8106.1155.400000107.2Q154A152-Q154 PolarHBondContact O-N 3.45Å; A152-Q154 VanDerWaalsContact O-N 3.07Å
153P43.3Very low57.9Low92 Ų92127.8 Ų127.860%0.59766%0.655SS**  trans-63.5116.1164.928.5-32000106.3Y151 V155Y151-P153 WeakPolarHBondContact O-CD 3.46Å; P153-V155 VanDerWaalsContact C-N 3.3Å; P153-V155 PolarHBondContact O-N 3.24Å
154Q41Very low55.3Low190 Ų190131 Ų13189%0.88867%0.674SS**  trans-60.2101.4163-75.2178.5-4.100106.5A152 R156A152-Q154 PolarHBondContact O-N 3.45Å; A152-Q154 VanDerWaalsContact O-N 3.07Å; Q154-R156 PolarHBondContact O-N 3.27Å; Q154-R156 VanDerWaalsContact O-N 3.16Å
155V40.1Very low52.6Low137 Ų137133.7 Ų133.783%0.8369%0.692SS**  trans-68.7110.5168.1-1700000105.5P153P153-V155 VanDerWaalsContact C-N 3.3Å; P153-V155 PolarHBondContact O-N 3.24Å
156R36.1Very low50Low311 Ų311143.4 Ų143.4100%1.17473%0.729SS**  trans-65.20169-90.7-177.9168.6-179.4-3.5110.9Q154Q154-R156 PolarHBondContact O-N 3.27Å; Q154-R156 VanDerWaalsContact O-N 3.16Å

Retrieved 156 of 156 residues in 325.9 ms (Link to these results)

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