G4VFF2_SCHMA Loading...

Putative gtp-binding protein rit

AlphaFold DB , UniProt , Accession G4VFF2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 199 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
1M33.8Very low44.6Very low246 Ų246141.4 Ų141.4100%1.21278%0.775SS**  087.60-72.2-172.8173.800109.7
2T35.7Very low47.3Very low138 Ų138143.3 Ų143.385%0.84778%0.784SS**  trans-117.986.9165.434.10000106.1K4T2-K4 PolarHBondContact O-N 3.04Å
3S38.6Very low50.3Low109 Ų109139.8 Ų139.876%0.76275%0.752SS**  trans-58.2109.7165.8174.90000106.3R5S3-R5 PolarHBondContact O-N 2.72Å
4K44.7Very low53.4Low202 Ų202134.2 Ų134.288%0.87873%0.727SS**  trans-60.992.6168.4-81-179.6177.3173.40106.2T2 L6T2-K4 PolarHBondContact O-N 3.04Å; K4-L6 PolarHBondContact O-N 3.24Å; K4-L6 VanDerWaalsContact O-N 3.17Å
5R39.7Very low56.2Low230 Ų230128.5 Ų128.587%0.86870%0.695SS**PPolyproline II helixtrans-57.3121.1166.5-81.1-174.6178.4-172.80106.2S3S3-R5 PolarHBondContact O-N 2.72Å
6L48.9Very low58.8Low99 Ų99121.9 Ų121.952%0.51866%0.658SS.*PPolyproline II helixtrans-51.2126.6167.1-75.9153.1000107.2K4 A8 I53K4-L6 PolarHBondContact O-N 3.24Å; K4-L6 VanDerWaalsContact O-N 3.17Å; L6-A8 PolarHBondContact O-N 2.94Å; L6-I53 HydrophobicContact CD2-CD1 3.34Å
7P43.3Very low61.1Low109 Ų109119.4 Ų119.471%0.70864%0.639SS**PPolyproline II helixtrans-50.1130.3175.4-23.531.6000108.4D9P7-D9 PolarHBondContact O-N 2.79Å
8A47.7Very low63.1Low105 Ų105112.8 Ų112.887%0.86860%0.604SS**  trans-72.533.2176.500000111.9L6 T10L6-A8 PolarHBondContact O-N 2.94Å; A8-T10 PolarHBondContact O-N 2.7Å
9D51.2Low65Low140 Ų140107.1 Ų107.175%0.74957%0.573SS**  trans-83.2114169.6-137.20.1000105.8P7 C11P7-D9 PolarHBondContact O-N 2.79Å; D9-C11 PolarHBondContact O-N 3.47Å
10T49.3Very low66.7Low124 Ų124101.7 Ų101.776%0.76155%0.545SS*.  trans-61.575.7-177.546.20000110.2A8 D12A8-T10 PolarHBondContact O-N 2.7Å; T10-D12 PolarHBondContact O-N 2.79Å
11C58.2Low68.2Low53 Ų5396.9 Ų96.936%0.35852%0.519SS..  trans-79.697.4165.9-167.90000105.8D9 R13 M64D9-C11 PolarHBondContact O-N 3.47Å; C11-R13 PolarHBondContact O-N 2.93Å; C11-R13 WeakPolarHBondContact SG-CD 3.43Å; C11-R13 WeakPolarHBondContact SG-CG 3.35Å; C11-M64 HydrophobicContact CB-CE 4.38Å
12D76.3Confident71.2Confident165 Ų16585.2 Ų85.288%0.88246%0.461SS*.  trans-61.112.4175.6-83.7-19.6000113.7T10T10-D12 PolarHBondContact O-N 2.79Å
13R86.5Confident74.1Confident97 Ų9779.7 Ų79.737%0.36643%0.427SS..SBendtrans-79.2134.6179.5-63.1-179.5-168.7168.5-1.3109.9C11 L15 N55 L62C11-R13 PolarHBondContact O-N 2.93Å; C11-R13 WeakPolarHBondContact SG-CD 3.43Å; C11-R13 WeakPolarHBondContact SG-CG 3.35Å; R13-L15 PolarHBondContact O-N 2.82Å; R13-N55 PolarHBondContact NH1-OD1 3.23Å; R13-L62 HydrophobicContact CG-CB 4.43Å
14P94.2Very high76.7Confident62 Ų6275.3 Ų75.340%0.40340%0.399SS..PPolyproline II helixtrans-53.6132.7173-25.734000111.9Y16 C63 M64P14-Y16 HydrophobicContact CB-CE1 4.5Å; P14-Y16 HydrophobicContact CB-CE2 4.01Å; P14-C63 WeakPolarHBondContact O-CA 3.11Å; P14-C63 WeakPolarHBondContact O-CB 3.41Å; P14-M64 PolarHBondContact O-N 3.15Å
15L95.6Very high79.1Confident48 Ų4868.6 Ų68.625%0.25139%0.387SS..EExtended strand (participates in β ladder)trans-100.9125.3173.3-179.868.1000109.6R13 I53 M64 Q88R13-L15 PolarHBondContact O-N 2.82Å; L15-I53 HydrophobicContact CD1-CD1 4.31Å; L15-M64 WeakPolarHBondContact CA-O 3.44Å; L15-M64 HydrophobicContact CB-CE 4.33Å; L15-M64 HydrophobicContact CD1-CB 3.61Å; L15-M64 HydrophobicContact CD1-CE 4.25Å; L15-Q88 PolarHBondContact O-OE1 3.17Å
16Y96.9Very high81.8Confident24 Ų2457.6 Ų57.69%0.09435%0.345CS..EExtended strand (participates in β ladder)trans-111.1115.6176-59.3-66.8000110.7P14 C63 M64 Y66 V174 I177 R178P14-Y16 HydrophobicContact CB-CE1 4.5Å; P14-Y16 HydrophobicContact CB-CE2 4.01Å; Y16-C63 HydrophobicContact CD2-CB 3.86Å; Y16-C63 HydrophobicContact CE2-CB 3.54Å; Y16-M64 PolarHBondContact N-O 2.8Å; Y16-Y66 PolarHBondContact O-N 3.22Å; Y16-V174 HydrophobicContact CD2-CB 4.42Å; Y16-V174 HydrophobicContact CD2-CG1 3.61Å; Y16-V174 HydrophobicContact CD2-CG2 4.02Å; Y16-V174 HydrophobicContact CE2-CG1 3.5Å; Y16-V174 HydrophobicContact CG-CG1 4.25Å; Y16-V174 HydrophobicContact CG-CG2 4.3Å; Y16-I177 HydrophobicContact CD1-CB 4.29Å; Y16-I177 HydrophobicContact CD1-CG2 3.67Å; Y16-I177 HydrophobicContact CE1-CG2 3.97Å; Y16-R178 HydrophobicContact CE1-CG 4.21Å; Y16-R178 VanDerWaalsContact OH-CG 3.27Å; Y16-R178 WeakPolarHBondContact OH-CG 3.49Å; Y16-R178 PolarHBondContact OH-NE 2.79Å
17K97.4Very high84.1Confident79 Ų7953.4 Ų53.434%0.34333%0.326SS..EExtended strand (participates in β ladder)trans-89.8107178.3-63.7179.2-178.8179.20110.4Y66 Q88 G89K17-Y66 CarbonylContact C-O 3.51Å; K17-Y66 VanDerWaalsContact CA-O 3.32Å; K17-Y66 WeakPolarHBondContact CA-O 3.27Å; K17-Y66 HydrophobicContact CB-CD1 4.35Å; K17-Y66 HydrophobicContact CG-CD1 4.09Å; K17-Y66 HydrophobicContact CG-CG 4.45Å; K17-Q88 HydrophobicContact CB-CG 4.41Å; K17-Q88 WeakPolarHBondContact O-CA 3.48Å; K17-Q88 WeakPolarHBondContact O-CB 3.48Å; K17-Q88 PolarHBondContact O-N 2.79Å; K17-G89 PolarHBondContact O-N 2.91Å
18I98.4Very high86.7Confident0 Ų048.8 Ų48.80%030%0.295CS..EExtended strand (participates in β ladder)trans-107137.1179.3-59.7169.2000108.4L65 Y66 V67 L68 G89 I91 F170 M173 V174 I177I18-L65 HydrophobicContact CD1-CD2 4.16Å; I18-L65 HydrophobicContact CD1-CG 4.35Å; I18-Y66 PolarHBondContact N-O 3.35Å; I18-V67 HydrophobicContact CB-CG2 4.2Å; I18-V67 CarbonylContact O-C 3.56Å; I18-V67 WeakPolarHBondContact O-CA 3.35Å; I18-L68 PolarHBondContact O-N 3.18Å; I18-G89 WeakPolarHBondContact CA-O 3.43Å; I18-I91 HydrophobicContact CG2-CD1 3.85Å; I18-I91 HydrophobicContact CG2-CG1 4.08Å; I18-F170 HydrophobicContact CD1-CD1 4.34Å; I18-F170 HydrophobicContact CG2-CE1 4.5Å; I18-M173 HydrophobicContact CD1-CB 4.04Å; I18-M173 HydrophobicContact CD1-CG 3.68Å; I18-M173 HydrophobicContact CG1-CG 3.74Å; I18-M173 HydrophobicContact CG2-CG 4.03Å; I18-V174 HydrophobicContact CD1-CG2 4.18Å; I18-I177 HydrophobicContact CG1-CD1 4.12Å
19V98.3Very high89Confident4 Ų444.3 Ų44.32%0.02426%0.257CS..EExtended strand (participates in β ladder)trans-117.9128176.3-174.80000108.9V21 L68 T70 G89 F90 I91V19-V21 HydrophobicContact CG1-CG1 3.91Å; V19-L68 HydrophobicContact CG1-CD2 4.4Å; V19-L68 HydrophobicContact CG2-CB 4.43Å; V19-T70 HydrophobicContact CG1-CG2 3.63Å; V19-G89 PolarHBondContact N-O 3.26Å; V19-F90 HydrophobicContact CB-CD1 3.72Å; V19-F90 HydrophobicContact CB-CE1 3.72Å; V19-F90 HydrophobicContact CG1-CD1 4.39Å; V19-F90 HydrophobicContact CG1-CE1 4.38Å; V19-F90 HydrophobicContact CG2-CD1 4.35Å; V19-F90 HydrophobicContact CG2-CE1 3.86Å; V19-F90 WeakPolarHBondContact O-CA 3.49Å; V19-I91 PolarHBondContact O-N 3.4Å
20V98.6Very high91.2Very high0 Ų038 Ų380%022%0.224CC..EExtended strand (participates in β ladder)trans-98.8122.8177.8-170.30000108.3K28 V67 L68 T70 I91 V93 F170V20-K28 HydrophobicContact CG1-CB 3.75Å; V20-K28 HydrophobicContact CG1-CD 4.25Å; V20-K28 HydrophobicContact CG1-CG 3.92Å; V20-V67 HydrophobicContact CG2-CG1 3.78Å; V20-L68 PolarHBondContact N-O 2.96Å; V20-T70 PolarHBondContact O-OG1 2.99Å; V20-I91 HydrophobicContact CG1-CB 4.49Å; V20-V93 HydrophobicContact CG1-CG2 3.62Å; V20-F170 HydrophobicContact CG2-CE1 4.22Å; V20-F170 HydrophobicContact CG2-CZ 4.36Å
21V98.1Very high93.5Very high0 Ų032.1 Ų32.10%019%0.188CC..EExtended strand (participates in β ladder)trans-131.1167.6-177.5-57.20000110.4V19 K28 R80 M84 I91 I92 V93 F108 I112V19-V21 HydrophobicContact CG1-CG1 3.91Å; V21-K28 VanDerWaalsContact C-CD 3.45Å; V21-R80 HydrophobicContact CG1-CG 4.28Å; V21-M84 HydrophobicContact CB-CE 4.45Å; V21-M84 HydrophobicContact CG1-CE 3.94Å; V21-I91 PolarHBondContact N-O 2.91Å; V21-I92 HydrophobicContact CG2-CB 4.33Å; V21-I92 HydrophobicContact CG2-CG1 3.89Å; V21-I92 HydrophobicContact CG2-CG2 4.46Å; V21-V93 PolarHBondContact O-N 3.42Å; V21-F108 HydrophobicContact CB-CD1 4Å; V21-F108 HydrophobicContact CB-CE1 4.4Å; V21-F108 HydrophobicContact CG2-CB 4.22Å; V21-F108 HydrophobicContact CG2-CD1 4.14Å; V21-F108 HydrophobicContact CG2-CG 4.37Å; V21-I112 HydrophobicContact CG2-CD1 4.08Å
22G97.9Very high95.4Very high1 Ų129.6 Ų29.61%0.0117%0.171CC..  trans138.1163.5-172.500000110.7K28 G72 V93 F108G22-K28 WeakPolarHBondContact O-CE 3.46Å; G22-K28 PolarHBondContact O-NZ 3.12Å; G22-G72 WeakPolarHBondContact O-CA 3.43Å; G22-V93 VanDerWaalsContact CA-O 3.3Å; G22-V93 WeakPolarHBondContact CA-O 3.47Å; G22-F108 VanDerWaalsContact C-CE2 3.48Å
23D96.5Very high96.4Very high23 Ų2322.3 Ų22.312%0.12313%0.132CC..SBendtrans-62.7169.1-173-160.412000113.2V26 K28 F108D23-V26 HydrophobicContact CB-CG1 4.05Å; D23-V26 WeakPolarHBondContact O-CG1 3.39Å; D23-V26 VanDerWaalsContact O-CG2 3.31Å; D23-V26 WeakPolarHBondContact O-CG2 3.32Å; D23-K28 PolarHBondContact O-NZ 3.03Å; D23-F108 HydrophobicContact CB-CE2 4.47Å
24G94.1Very high96.9Very high16 Ų1618 Ų1817%0.16512%0.116CC..THydrogen-bonded Turntrans-54.2142173.100000112.1V26G24-V26 PolarHBondContact O-N 3.5Å
25G93.9Very high97Very high61 Ų6115.3 Ų15.363%0.62910%0.098SC*.THydrogen-bonded Turntrans71.9-0.3171.300000117.1G27 K129G25-G27 PolarHBondContact O-N 3.04Å; G25-K129 VanDerWaalsContact O-CE 3.28Å; G25-K129 WeakPolarHBondContact O-CE 3.15Å; G25-K129 PolarHBondContact O-NZ 2.87Å
26V96.9Very high97.1Very high0 Ų014.3 Ų14.30%09%0.092CC..SBendtrans-70.7-14.5-179.8-55.90000114.3D23 G24 K28 V93 S101 N128 K129D23-V26 HydrophobicContact CB-CG1 4.05Å; D23-V26 WeakPolarHBondContact O-CG1 3.39Å; D23-V26 VanDerWaalsContact O-CG2 3.31Å; D23-V26 WeakPolarHBondContact O-CG2 3.32Å; G24-V26 PolarHBondContact O-N 3.5Å; V26-K28 HydrophobicContact CG2-CD 4.3Å; V26-K28 HydrophobicContact CG2-CG 3.61Å; V26-V93 HydrophobicContact CB-CG1 4.26Å; V26-V93 HydrophobicContact CG2-CB 3.91Å; V26-V93 HydrophobicContact CG2-CG1 3.79Å; V26-S101 VanDerWaalsContact CG1-CB 3.42Å; V26-N128 PolarHBondContact O-ND2 3.34Å; V26-K129 WeakPolarHBondContact O-CE 3.44Å
27G97Very high97.1Very high11 Ų1118 Ų1811%0.11311%0.11CC..SBendtrans96.629177.600000115.7G25 A30 L31G25-G27 PolarHBondContact O-N 3.04Å; G27-A30 PolarHBondContact O-N 2.91Å; G27-L31 WeakPolarHBondContact O-CG 3.32Å; G27-L31 PolarHBondContact O-N 2.87Å
28K97.6Very high97Very high12 Ų1220.6 Ų20.65%0.05212%0.117CC..Hα-helixtrans-56-49.5174.3-57.7-176.2-65.1-730112.4V20 V21 G22 D23 V26 L31 T32 D69 T70 V93V20-K28 HydrophobicContact CG1-CB 3.75Å; V20-K28 HydrophobicContact CG1-CD 4.25Å; V20-K28 HydrophobicContact CG1-CG 3.92Å; V21-K28 VanDerWaalsContact C-CD 3.45Å; G22-K28 WeakPolarHBondContact O-CE 3.46Å; G22-K28 PolarHBondContact O-NZ 3.12Å; D23-K28 PolarHBondContact O-NZ 3.03Å; V26-K28 HydrophobicContact CG2-CD 4.3Å; V26-K28 HydrophobicContact CG2-CG 3.61Å; K28-L31 PolarHBondContact O-N 2.88Å; K28-T32 WeakPolarHBondContact O-CB 3.39Å; K28-T32 PolarHBondContact O-N 3.32Å; K28-T32 PolarHBondContact O-OG1 3.09Å; K28-D69 WeakPolarHBondContact CB-OD1 3.44Å; K28-T70 WeakPolarHBondContact CE-O 3.49Å; K28-V93 HydrophobicContact CG-CB 4.13Å; K28-V93 HydrophobicContact CG-CG2 4.21Å
29S96.5Very high96.8Very high11 Ų1124.3 Ų24.38%0.07714%0.136CC..Hα-helixtrans-64.3-43.7177.3-44.30000111.1L31 T32 I33 T47 D69S29-L31 PolarHBondContact O-N 3.2Å; S29-T32 PolarHBondContact O-N 2.86Å; S29-I33 VanDerWaalsContact O-CB 3.32Å; S29-I33 WeakPolarHBondContact O-CB 3.47Å; S29-I33 VanDerWaalsContact O-CG1 3.25Å; S29-I33 WeakPolarHBondContact O-CG1 3.18Å; S29-I33 PolarHBondContact O-N 2.79Å; S29-T47 PolarHBondContact OG-OG1 3.15Å; S29-D69 WeakPolarHBondContact CA-OD2 3.3Å; S29-D69 WeakPolarHBondContact CB-OD2 3.44Å; S29-D69 PolarHBondContact OG-OD2 2.88Å
30A97Very high96.6Very high7 Ų727.8 Ų27.86%0.05815%0.15CC..Hα-helixtrans-58.9-44.5176.300000112.4G27 Q34 F40 A159G27-A30 PolarHBondContact O-N 2.91Å; A30-Q34 WeakPolarHBondContact O-CB 3.46Å; A30-Q34 PolarHBondContact O-N 2.88Å; A30-F40 HydrophobicContact CB-CD2 4.14Å; A30-F40 HydrophobicContact CB-CE2 3.9Å; A30-A159 HydrophobicContact CB-CB 3.74Å
31L98.4Very high96.1Very high0 Ų030.5 Ų30.50%017%0.165CC..Hα-helixtrans-64.1-42.7175.6-73.4169.1000112.2G27 K28 S29 Y35 V93 N128 A159 V166 M169G27-L31 WeakPolarHBondContact O-CG 3.32Å; G27-L31 PolarHBondContact O-N 2.87Å; K28-L31 PolarHBondContact O-N 2.88Å; S29-L31 PolarHBondContact O-N 3.2Å; L31-Y35 PolarHBondContact O-N 3.44Å; L31-V93 HydrophobicContact CD1-CG1 3.88Å; L31-V93 HydrophobicContact CD1-CG2 4.15Å; L31-N128 HydrophobicContact CD1-CB 4.15Å; L31-A159 HydrophobicContact CD2-CB 4.03Å; L31-A159 HydrophobicContact CG-CB 4.31Å; L31-V166 HydrophobicContact CD2-CG2 3.84Å; L31-V166 WeakPolarHBondContact O-CG1 3.16Å; L31-M169 HydrophobicContact CB-CE 4.33Å; L31-M169 HydrophobicContact CD1-CE 4.19Å; L31-M169 HydrophobicContact CD2-CE 4.47Å
32T97.7Very high95.4Very high0 Ų038.6 Ų38.60%020%0.203CC..Hα-helixtrans-65.8-52-179.8-55.90000110.5K28 S29 Q34 Y35 F36 Y52 V67 D69K28-T32 WeakPolarHBondContact O-CB 3.39Å; K28-T32 PolarHBondContact O-N 3.32Å; K28-T32 PolarHBondContact O-OG1 3.09Å; S29-T32 PolarHBondContact O-N 2.86Å; T32-Q34 VanDerWaalsContact C-N 3.3Å; T32-Q34 PolarHBondContact O-N 3.1Å; T32-Y35 WeakPolarHBondContact O-CB 3.31Å; T32-Y35 PolarHBondContact O-N 2.89Å; T32-Y35 VanDerWaalsContact O-N 3.13Å; T32-F36 HydrophobicContact CG2-CD2 3.88Å; T32-F36 HydrophobicContact CG2-CE2 4.03Å; T32-F36 VanDerWaalsContact O-CD2 3.29Å; T32-F36 WeakPolarHBondContact O-CD2 3.49Å; T32-F36 PolarHBondContact O-N 2.95Å; T32-Y52 HydrophobicContact CG2-CD2 3.45Å; T32-Y52 VanDerWaalsContact CG2-CD2 3.45Å; T32-Y52 HydrophobicContact CG2-CE2 3.75Å; T32-Y52 HydrophobicContact CG2-CG 3.98Å; T32-V67 HydrophobicContact CG2-CG1 3.88Å; T32-D69 HydrophobicContact CG2-CB 4.46Å
33I96.1Very high94.6Very high13 Ų1347.2 Ų47.27%0.06724%0.243CC..Hα-helixtrans-60.6-41.3177.8-66.6169.5000110.6S29 Y35 F36 Q37 R38 M39 L41S29-I33 VanDerWaalsContact O-CB 3.32Å; S29-I33 WeakPolarHBondContact O-CB 3.47Å; S29-I33 VanDerWaalsContact O-CG1 3.25Å; S29-I33 WeakPolarHBondContact O-CG1 3.18Å; S29-I33 PolarHBondContact O-N 2.79Å; I33-Y35 VanDerWaalsContact C-N 3.3Å; I33-Y35 PolarHBondContact O-N 2.63Å; I33-F36 PolarHBondContact O-N 3.36Å; I33-Q37 HydrophobicContact CG2-CB 4.18Å; I33-Q37 HydrophobicContact CG2-CG 4.5Å; I33-Q37 WeakPolarHBondContact O-CA 3.45Å; I33-Q37 WeakPolarHBondContact O-CB 3.32Å; I33-Q37 PolarHBondContact O-N 3.1Å; I33-R38 PolarHBondContact O-N 3.12Å; I33-M39 HydrophobicContact CG2-CG 3.63Å; I33-M39 HydrophobicContact CG2-SD 4.43Å; I33-L41 HydrophobicContact CD1-CD1 3.75Å; I33-L41 HydrophobicContact CG2-CD1 4.5Å
34Q97.3Very high93.9Very high6 Ų650.3 Ų50.33%0.02826%0.256CS..Hα-helixtrans-62.8-37.1177.4-179.462.4-48.900112.3A30 T32 R38 M39 A159 P163 V166A30-Q34 WeakPolarHBondContact O-CB 3.46Å; A30-Q34 PolarHBondContact O-N 2.88Å; T32-Q34 VanDerWaalsContact C-N 3.3Å; T32-Q34 PolarHBondContact O-N 3.1Å; Q34-R38 WeakPolarHBondContact O-CA 3.48Å; Q34-R38 PolarHBondContact O-N 3.36Å; Q34-R38 VanDerWaalsContact OE1-CA 3.28Å; Q34-M39 WeakPolarHBondContact CA-O 3.36Å; Q34-M39 PolarHBondContact N-O 3.15Å; Q34-M39 PolarHBondContact OE1-O 3.43Å; Q34-A159 HydrophobicContact CB-CB 4.28Å; Q34-A159 WeakPolarHBondContact CG-O 3.5Å; Q34-A159 PolarHBondContact NE2-O 3.35Å; Q34-P163 HydrophobicContact CG-CB 3.83Å; Q34-P163 HydrophobicContact CG-CG 4.39Å; Q34-V166 HydrophobicContact CB-CG1 4.39Å; Q34-V166 HydrophobicContact CG-CG1 4.3Å; Q34-V166 HydrophobicContact CG-CG2 4.14Å
35Y97.8Very high93.5Very high5 Ų556.3 Ų56.32%0.0229%0.285CS..Hα-helixtrans-66.6-50.2174.8-176.8-111.7000112.4L31 T32 I33 R38 L65 D167 F170 H171L31-Y35 PolarHBondContact O-N 3.44Å; T32-Y35 WeakPolarHBondContact O-CB 3.31Å; T32-Y35 PolarHBondContact O-N 2.89Å; T32-Y35 VanDerWaalsContact O-N 3.13Å; I33-Y35 VanDerWaalsContact C-N 3.3Å; I33-Y35 PolarHBondContact O-N 2.63Å; Y35-R38 PolarHBondContact O-NE 3.34Å; Y35-L65 HydrophobicContact CE1-CD2 3.9Å; Y35-L65 WeakPolarHBondContact OH-CD2 3.27Å; Y35-D167 HydrophobicContact CD2-CB 4.42Å; Y35-D167 HydrophobicContact CE2-CB 4.26Å; Y35-F170 HydrophobicContact CD1-CB 4.41Å; Y35-F170 AromaticContact CD1-CD2 3.8Å; Y35-F170 HydrophobicContact CD1-CD2 3.8Å; Y35-F170 HydrophobicContact CD1-CE2 4.18Å; Y35-F170 HydrophobicContact CD1-CG 4.01Å; Y35-F170 HydrophobicContact CD2-CB 4.19Å; Y35-F170 AromaticContact CD2-CD2 3.62Å; Y35-F170 HydrophobicContact CD2-CD2 3.62Å; Y35-F170 HydrophobicContact CD2-CE2 4.4Å; Y35-F170 HydrophobicContact CD2-CG 4.2Å; Y35-F170 HydrophobicContact CE1-CB 4.13Å; Y35-F170 HydrophobicContact CE1-CD2 4.37Å; Y35-F170 HydrophobicContact CE1-CG 4.18Å; Y35-F170 HydrophobicContact CE2-CB 3.9Å; Y35-F170 HydrophobicContact CE2-CD2 4.22Å; Y35-F170 HydrophobicContact CE2-CG 4.37Å; Y35-F170 HydrophobicContact CG-CB 4.44Å; Y35-F170 AromaticContact CG-CD2 3.38Å; Y35-F170 HydrophobicContact CG-CD2 3.38Å; Y35-F170 AromaticContact CG-CE2 3.79Å; Y35-F170 HydrophobicContact CG-CE2 3.79Å; Y35-F170 HydrophobicContact CG-CG 4.02Å; Y35-H171 AromaticContact CE2-NE2 3.76Å; Y35-H171 AromaticContact CZ-NE2 3.83Å; Y35-H171 PolarHBondContact OH-CD2 2.72Å; Y35-H171 VanDerWaalsContact OH-CD2 3.31Å; Y35-H171 PolarHBondContact OH-NE2 3.08Å
36F97Very high93.2Very high28 Ų2859 Ų5912%0.12329%0.291CS..Hα-helixtrans-81.5-36.3-172.1-78.6-86.4000114.2T32 I33 Y52 Q54 V67T32-F36 HydrophobicContact CG2-CD2 3.88Å; T32-F36 HydrophobicContact CG2-CE2 4.03Å; T32-F36 VanDerWaalsContact O-CD2 3.29Å; T32-F36 WeakPolarHBondContact O-CD2 3.49Å; T32-F36 PolarHBondContact O-N 2.95Å; I33-F36 PolarHBondContact O-N 3.36Å; F36-Y52 HydrophobicContact CB-CD1 3.86Å; F36-Y52 HydrophobicContact CD1-CD1 4.36Å; F36-Y52 HydrophobicContact CD1-CG 4.43Å; F36-Y52 HydrophobicContact CD2-CD1 4Å; F36-Y52 AromaticContact CD2-CG 3.82Å; F36-Y52 HydrophobicContact CD2-CG 3.82Å; F36-Y52 VanDerWaalsContact CE2-CB 3.41Å; F36-Y52 HydrophobicContact CE2-CG 4.13Å; F36-Y52 AromaticContact CG-CD1 3.82Å; F36-Y52 HydrophobicContact CG-CD1 3.82Å; F36-Y52 HydrophobicContact CG-CG 4.01Å; F36-Y52 VanDerWaalsContact CZ-CB 3.42Å; F36-Q54 HydrophobicContact CD1-CB 3.58Å; F36-Q54 HydrophobicContact CD1-CG 4.46Å; F36-Q54 HydrophobicContact CE1-CB 3.36Å; F36-V67 HydrophobicContact CE2-CB 3.57Å; F36-V67 HydrophobicContact CE2-CG1 4.23Å; F36-V67 HydrophobicContact CE2-CG2 3.57Å; F36-V67 HydrophobicContact CZ-CB 3.75Å; F36-V67 HydrophobicContact CZ-CG2 3.56Å
37Q95.6Very high92.6Very high100 Ų10060.8 Ų60.847%0.46730%0.302SS..Hα-helixtrans-116.1-6.7-169.1-59.3-177.35.900113.4I33 M39I33-Q37 HydrophobicContact CG2-CB 4.18Å; I33-Q37 HydrophobicContact CG2-CG 4.5Å; I33-Q37 WeakPolarHBondContact O-CA 3.45Å; I33-Q37 WeakPolarHBondContact O-CB 3.32Å; I33-Q37 PolarHBondContact O-N 3.1Å; Q37-M39 HydrophobicContact CB-CG 3.92Å; Q37-M39 HydrophobicContact CB-SD 4.18Å; Q37-M39 PolarHBondContact O-N 3.4Å; Q37-M39 PolarHBondContact OE1-SD 2.48Å
38R96.1Very high92Very high134 Ų13464.7 Ų64.751%0.50632%0.319SS..SBendtrans57.537.6179.2-49.3-55.8-178.2173.7-0.9112.8I33 Q34 Y35 D167I33-R38 PolarHBondContact O-N 3.12Å; Q34-R38 WeakPolarHBondContact O-CA 3.48Å; Q34-R38 PolarHBondContact O-N 3.36Å; Q34-R38 VanDerWaalsContact OE1-CA 3.28Å; Y35-R38 PolarHBondContact O-NE 3.34Å; R38-D167 IonicContact CZ-OD1 2.82Å; R38-D167 VanDerWaalsContact CZ-OD1 3.29Å; R38-D167 IonicContact CZ-OD2 3.15Å; R38-D167 IonicContact NH1-OD1 3.8Å; R38-D167 PolarHBondContact NH1-OD1 3.42Å; R38-D167 IonicContact NH1-OD2 3.75Å; R38-D167 PolarHBondContact NH1-OD2 3.08Å; R38-D167 IonicContact NH2-OD1 3.26Å; R38-D167 PolarHBondContact NH2-OD1 3.28Å
39M94.6Very high91.6Very high79 Ų7968 Ų6839%0.38934%0.335SS..  trans-139155.5176.668.5-174.6-55.400112.1I33 Q34 Q37 L41I33-M39 HydrophobicContact CG2-CG 3.63Å; I33-M39 HydrophobicContact CG2-SD 4.43Å; Q34-M39 WeakPolarHBondContact CA-O 3.36Å; Q34-M39 PolarHBondContact N-O 3.15Å; Q34-M39 PolarHBondContact OE1-O 3.43Å; Q37-M39 HydrophobicContact CB-CG 3.92Å; Q37-M39 HydrophobicContact CB-SD 4.18Å; Q37-M39 PolarHBondContact O-N 3.4Å; Q37-M39 PolarHBondContact OE1-SD 2.48Å; M39-L41 HydrophobicContact CE-CD2 3.49Å; M39-L41 VanDerWaalsContact CE-CD2 3.49Å; M39-L41 HydrophobicContact CE-CG 4.4Å; M39-L41 HydrophobicContact SD-CD2 4.47Å
40F93Very high91.5Very high76 Ų7670.9 Ų70.933%0.33335%0.349SS..  trans-114.3122.6172.2178.4-105.5000109.3A30 E42 A159A30-F40 HydrophobicContact CB-CD2 4.14Å; A30-F40 HydrophobicContact CB-CE2 3.9Å; F40-E42 HydrophobicContact CD1-CG 4.19Å; F40-E42 HydrophobicContact CE1-CG 3.98Å; F40-A159 HydrophobicContact CD2-CB 3.9Å; F40-A159 HydrophobicContact CE2-CB 4.14Å
41L88.5Confident91.5Very high58 Ų5873.4 Ų73.430%0.30437%0.367SS..  trans-94.2113.3174.6-62.8178.3000109.1I33 M39 E43 H44I33-L41 HydrophobicContact CD1-CD1 3.75Å; I33-L41 HydrophobicContact CG2-CD1 4.5Å; M39-L41 HydrophobicContact CE-CD2 3.49Å; M39-L41 VanDerWaalsContact CE-CD2 3.49Å; M39-L41 HydrophobicContact CE-CG 4.4Å; M39-L41 HydrophobicContact SD-CD2 4.47Å; L41-E43 VanDerWaalsContact C-N 3.33Å; L41-H44 HydrophobicContact CB-CB 4.5Å; L41-H44 HydrophobicContact CD1-CB 4.42Å
42E83.3Confident91.4Very high170 Ų17074.8 Ų74.879%0.79437%0.372SS*.SBendtrans-63.4-41.6178.2-65.3-170.2165.700111.7F40F40-E42 HydrophobicContact CD1-CG 4.19Å; F40-E42 HydrophobicContact CE1-CG 3.98Å
43E82.4Confident91.3Very high182 Ų18278.7 Ų78.785%0.8539%0.392SS*.SBendtrans-123.5136.1176.2-63.8-176.6174.500109.5L41L41-E43 VanDerWaalsContact C-N 3.33Å
44H80.3Confident91.3Very high87 Ų8781.2 Ų81.240%0.40340%0.403SS..  trans-155.8154.3173.855.4-79.7000109.8L41L41-H44 HydrophobicContact CB-CB 4.5Å; L41-H44 HydrophobicContact CD1-CB 4.42Å
45D86Confident91.2Very high143 Ų14385.2 Ų85.277%0.76543%0.425SS*.PPolyproline II helixtrans-65.8150.2178.1-68.7-37.3000111.5T47D45-T47 PolarHBondContact O-N 3.15Å
46P87.2Confident91.1Very high118 Ų11885.5 Ų85.577%0.76643%0.429SS*.PPolyproline II helixtrans-55.7125.4172.3-25.734.7000112.2
47T84.4Confident91Very high37 Ų3789.8 Ų89.823%0.22745%0.449CS..PPolyproline II helixtrans-74.5132.6179.7-54.10000111.4S29 D45 D50 A71S29-T47 PolarHBondContact OG-OG1 3.15Å; D45-T47 PolarHBondContact O-N 3.15Å; T47-D50 HydrophobicContact CG2-CB 4.47Å; T47-A71 VanDerWaalsContact O-CA 3.28Å; T47-A71 WeakPolarHBondContact O-CA 3.46Å; T47-A71 VanDerWaalsContact O-CB 3.23Å; T47-A71 WeakPolarHBondContact O-CB 3.28Å
48I84.6Confident91.1Very high92 Ų9285.1 Ų85.147%0.47243%0.427SS..SBendtrans-84.9-59.7161.8-61.7178.5000108.4A71 F76 M79I48-A71 VanDerWaalsContact O-CB 3.3Å; I48-A71 WeakPolarHBondContact O-CB 3.27Å; I48-A71 PolarHBondContact O-N 3.18Å; I48-F76 HydrophobicContact CB-CE1 4.39Å; I48-F76 HydrophobicContact CD1-CE1 4.32Å; I48-F76 HydrophobicContact CD1-CZ 4.39Å; I48-F76 HydrophobicContact CG1-CE1 3.98Å; I48-F76 HydrophobicContact CG1-CZ 3.9Å; I48-F76 HydrophobicContact CG2-CD1 4.01Å; I48-F76 HydrophobicContact CG2-CE1 3.8Å; I48-M79 HydrophobicContact CG2-CE 4.4Å; I48-M79 HydrophobicContact CG2-SD 3.92Å
49E90.4Very high91.1Very high83 Ų8382.8 Ų82.839%0.38843%0.425SS..EExtended strand (participates in β ladder)trans-159.7148.4170.562.8-168.8-147.800109.2D69 Y83E49-D69 WeakPolarHBondContact CA-O 3.47Å; E49-Y83 HydrophobicContact CB-CE2 4.44Å; E49-Y83 PolarHBondContact OE1-OH 3.15Å; E49-Y83 WeakPolarHBondContact OE2-CE2 3.36Å; E49-Y83 PolarHBondContact OE2-OH 2.82Å
50D94.5Very high91.1Very high71 Ų7186 Ų8638%0.3844%0.443SS..EExtended strand (participates in β ladder)trans-146.4149.5167.8-162.33.5000110.2T47 Y52 D69T47-D50 HydrophobicContact CG2-CB 4.47Å; D50-Y52 HydrophobicContact CB-CE2 3.87Å; D50-Y52 WeakPolarHBondContact OD2-CE2 3.44Å; D50-Y52 VanDerWaalsContact OD2-CZ 3.24Å; D50-Y52 PolarHBondContact OD2-OH 3.29Å; D50-D69 PolarHBondContact N-O 2.88Å; D50-D69 PolarHBondContact O-N 3.26Å
51S95.3Very high91.2Very high60 Ų6087.4 Ų87.442%0.4245%0.451SS..EExtended strand (participates in β ladder)trans-127.9130.9-173.168.70000111.6V67S51-V67 WeakPolarHBondContact CA-O 3.24Å
52Y97Very high91.6Very high29 Ų2988.8 Ų88.811%0.11446%0.458CS..EExtended strand (participates in β ladder)trans-122.5141.1-177.5-63.2-100.9000109.7T32 F36 D50 Y66 V67T32-Y52 HydrophobicContact CG2-CD2 3.45Å; T32-Y52 VanDerWaalsContact CG2-CD2 3.45Å; T32-Y52 HydrophobicContact CG2-CE2 3.75Å; T32-Y52 HydrophobicContact CG2-CG 3.98Å; F36-Y52 HydrophobicContact CB-CD1 3.86Å; F36-Y52 HydrophobicContact CD1-CD1 4.36Å; F36-Y52 HydrophobicContact CD1-CG 4.43Å; F36-Y52 HydrophobicContact CD2-CD1 4Å; F36-Y52 AromaticContact CD2-CG 3.82Å; F36-Y52 HydrophobicContact CD2-CG 3.82Å; F36-Y52 VanDerWaalsContact CE2-CB 3.41Å; F36-Y52 HydrophobicContact CE2-CG 4.13Å; F36-Y52 AromaticContact CG-CD1 3.82Å; F36-Y52 HydrophobicContact CG-CD1 3.82Å; F36-Y52 HydrophobicContact CG-CG 4.01Å; F36-Y52 VanDerWaalsContact CZ-CB 3.42Å; D50-Y52 HydrophobicContact CB-CE2 3.87Å; D50-Y52 WeakPolarHBondContact OD2-CE2 3.44Å; D50-Y52 VanDerWaalsContact OD2-CZ 3.24Å; D50-Y52 PolarHBondContact OD2-OH 3.29Å; Y52-Y66 CarbonylContact O-C 2.92Å; Y52-Y66 WeakPolarHBondContact O-CA 3.39Å; Y52-V67 PolarHBondContact N-O 2.92Å; Y52-V67 PolarHBondContact O-N 2.74Å
53I96.6Very high92.2Very high81 Ų8180.7 Ų80.742%0.41542%0.421SS..EExtended strand (participates in β ladder)trans-133.8132.3174.2-170.6167.5000111L6 L15 M64 L65L6-I53 HydrophobicContact CD2-CD1 3.34Å; L15-I53 HydrophobicContact CD1-CD1 4.31Å; I53-M64 HydrophobicContact CD1-SD 4.45Å; I53-L65 VanDerWaalsContact CA-O 3.27Å; I53-L65 WeakPolarHBondContact CA-O 3.35Å
54Q94.6Very high92.9Very high66 Ų6673.7 Ų73.731%0.30839%0.388SS..EExtended strand (participates in β ladder)trans-149143.9-179.5-1771718.700110.8F36 M64 L65F36-Q54 HydrophobicContact CD1-CB 3.58Å; F36-Q54 HydrophobicContact CD1-CG 4.46Å; F36-Q54 HydrophobicContact CE1-CB 3.36Å; Q54-M64 WeakPolarHBondContact O-CA 3.44Å; Q54-L65 PolarHBondContact N-O 3.12Å; Q54-L65 VanDerWaalsContact N-O 3.15Å; Q54-L65 PolarHBondContact O-N 3.44Å
55N95.3Very high93.7Very high91 Ų9169.6 Ų69.649%0.48737%0.369SS..EExtended strand (participates in β ladder)trans-73.5132.3167.3-69.7-67.1000109.4R13 C63R13-N55 PolarHBondContact NH1-OD1 3.23Å; N55-C63 WeakPolarHBondContact CA-O 2.9Å
56A95.5Very high94.3Very high11 Ų1165.8 Ų65.89%0.09135%0.345CS..EExtended strand (participates in β ladder)trans-131.3151.2174.300000110.6I58 L62 C63 L65A56-I58 HydrophobicContact CB-CD1 4.16Å; A56-I58 HydrophobicContact CB-CG1 4.15Å; A56-L62 WeakPolarHBondContact O-CA 3.48Å; A56-C63 PolarHBondContact N-O 2.95Å; A56-C63 PolarHBondContact O-N 3.07Å; A56-L65 HydrophobicContact CB-CD1 3.71Å
57E96.6Very high94.8Very high118 Ų11860.2 Ų60.255%0.55131%0.308SS*.EExtended strand (participates in β ladder)trans-109.1113.4166.4-170.7175.3178.900107.8L62E57-L62 HydrophobicContact CB-CD2 3.96Å; E57-L62 HydrophobicContact CG-CD2 4.17Å
58I96.8Very high95.5Very high1 Ų158.8 Ų58.81%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-126118.5-177.5-59.7169000106.9A56 N60 E61 L65 H171 V174 R175 R178A56-I58 HydrophobicContact CB-CD1 4.16Å; A56-I58 HydrophobicContact CB-CG1 4.15Å; I58-N60 VanDerWaalsContact C-N 3.31Å; I58-N60 PolarHBondContact O-N 2.92Å; I58-E61 PolarHBondContact N-O 2.82Å; I58-E61 VanDerWaalsContact N-O 3.12Å; I58-E61 PolarHBondContact O-N 3.22Å; I58-E61 VanDerWaalsContact O-N 3.15Å; I58-L65 HydrophobicContact CD1-CD1 3.97Å; I58-H171 HydrophobicContact CD1-CB 4.25Å; I58-H171 HydrophobicContact CG1-CB 4.36Å; I58-H171 HydrophobicContact CG2-CB 4.16Å; I58-V174 HydrophobicContact CD1-CB 3.78Å; I58-V174 HydrophobicContact CD1-CG1 3.94Å; I58-V174 HydrophobicContact CD1-CG2 3.68Å; I58-R175 HydrophobicContact CG2-CG 4.42Å; I58-R178 PolarHBondContact O-NH1 3.49Å
59D96.2Very high96Very high85 Ų8554.5 Ų54.546%0.45528%0.277SS..THydrogen-bonded Turntrans55.544.2-176.5-50.2-33.9000112.3E61 R175D59-E61 PolarHBondContact O-N 3.15Å; D59-R175 IonicContact OD1-CZ 3.29Å; D59-R175 IonicContact OD1-NE 2.95Å; D59-R175 PolarHBondContact OD1-NE 3.41Å; D59-R175 VanDerWaalsContact OD1-NE 3.15Å; D59-R175 IonicContact OD1-NH2 2.77Å; D59-R175 PolarHBondContact OD1-NH2 3.25Å; D59-R175 WeakPolarHBondContact OD2-CD 3.18Å; D59-R175 VanDerWaalsContact OD2-CG 3.28Å; D59-R175 WeakPolarHBondContact OD2-CG 3.32Å; D59-R175 IonicContact OD2-CZ 3.2Å; D59-R175 IonicContact OD2-NE 3.12Å; D59-R175 PolarHBondContact OD2-NE 2.73Å; D59-R175 IonicContact OD2-NH2 3.12Å
60N94.7Very high96.2Very high146 Ų14650.7 Ų50.778%0.78126%0.26SS*.THydrogen-bonded Turntrans61.814.6-177.4-51-31.6000115.1I58I58-N60 VanDerWaalsContact C-N 3.31Å; I58-N60 PolarHBondContact O-N 2.92Å
61E95.6Very high96.1Very high106 Ų10647.4 Ų47.450%0.49524%0.242SC..EExtended strand (participates in β ladder)trans-110.8117174.3-71.6-178.4-172.100110.2I58 D59 C63 R178I58-E61 PolarHBondContact N-O 2.82Å; I58-E61 VanDerWaalsContact N-O 3.12Å; I58-E61 PolarHBondContact O-N 3.22Å; I58-E61 VanDerWaalsContact O-N 3.15Å; D59-E61 PolarHBondContact O-N 3.15Å; E61-C63 PolarHBondContact O-N 3.34Å; E61-R178 VanDerWaalsContact CB-NH2 3.28Å; E61-R178 PolarHBondContact O-NH2 3.17Å; E61-R178 IonicContact OE2-CZ 3.85Å; E61-R178 IonicContact OE2-NE 3.83Å; E61-R178 PolarHBondContact OE2-NE 3.42Å; E61-R178 IonicContact OE2-NH1 3.5Å; E61-R178 IonicContact OE2-NH2 2.73Å; E61-R178 PolarHBondContact OE2-NH2 3.39Å
62L95.9Very high95.5Very high87 Ų8744.8 Ų44.846%0.45523%0.225SC..EExtended strand (participates in β ladder)trans-67.4129.1173.3-67.5174.3000110.7R13 A56 E57R13-L62 HydrophobicContact CG-CB 4.43Å; A56-L62 WeakPolarHBondContact O-CA 3.48Å; E57-L62 HydrophobicContact CB-CD2 3.96Å; E57-L62 HydrophobicContact CG-CD2 4.17Å
63C96.4Very high95.2Very high1 Ų148 Ų481%0.00724%0.241CC..EExtended strand (participates in β ladder)trans-145.5172.9177.5640000111.3P14 Y16 N55 A56 E61P14-C63 WeakPolarHBondContact O-CA 3.11Å; P14-C63 WeakPolarHBondContact O-CB 3.41Å; Y16-C63 HydrophobicContact CD2-CB 3.86Å; Y16-C63 HydrophobicContact CE2-CB 3.54Å; N55-C63 WeakPolarHBondContact CA-O 2.9Å; A56-C63 PolarHBondContact N-O 2.95Å; A56-C63 PolarHBondContact O-N 3.07Å; E61-C63 PolarHBondContact O-N 3.34Å
64M97Very high94.8Very high34 Ų3448.3 Ų48.317%0.16724%0.241CC..EExtended strand (participates in β ladder)trans-114131.8170.1-65.6-175.2-64.800109.2C11 P14 L15 Y16 I53 Q54C11-M64 HydrophobicContact CB-CE 4.38Å; P14-M64 PolarHBondContact O-N 3.15Å; L15-M64 WeakPolarHBondContact CA-O 3.44Å; L15-M64 HydrophobicContact CB-CE 4.33Å; L15-M64 HydrophobicContact CD1-CB 3.61Å; L15-M64 HydrophobicContact CD1-CE 4.25Å; Y16-M64 PolarHBondContact N-O 2.8Å; I53-M64 HydrophobicContact CD1-SD 4.45Å; Q54-M64 WeakPolarHBondContact O-CA 3.44Å
65L97.8Very high94.7Very high1 Ų152.3 Ų52.31%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-98.5125.5169.7-80.666.5000108I18 Y35 I53 Q54 A56 I58 V67 F170 V174I18-L65 HydrophobicContact CD1-CD2 4.16Å; I18-L65 HydrophobicContact CD1-CG 4.35Å; Y35-L65 HydrophobicContact CE1-CD2 3.9Å; Y35-L65 WeakPolarHBondContact OH-CD2 3.27Å; I53-L65 VanDerWaalsContact CA-O 3.27Å; I53-L65 WeakPolarHBondContact CA-O 3.35Å; Q54-L65 PolarHBondContact N-O 3.12Å; Q54-L65 VanDerWaalsContact N-O 3.15Å; Q54-L65 PolarHBondContact O-N 3.44Å; A56-L65 HydrophobicContact CB-CD1 3.71Å; I58-L65 HydrophobicContact CD1-CD1 3.97Å; L65-V67 HydrophobicContact CB-CG2 4.45Å; L65-F170 HydrophobicContact CD2-CB 4.23Å; L65-V174 HydrophobicContact CD1-CG2 3.96Å; L65-V174 HydrophobicContact CD2-CG2 4.08Å; L65-V174 HydrophobicContact CG-CG2 3.96Å
66Y97.8Very high94.5Very high64 Ų6451.1 Ų51.125%0.25125%0.25SC..EExtended strand (participates in β ladder)trans-106.1107.2165.1177.2-85.6000107.3Y16 K17 I18 Y52 L68Y16-Y66 PolarHBondContact O-N 3.22Å; K17-Y66 CarbonylContact C-O 3.51Å; K17-Y66 VanDerWaalsContact CA-O 3.32Å; K17-Y66 WeakPolarHBondContact CA-O 3.27Å; K17-Y66 HydrophobicContact CB-CD1 4.35Å; K17-Y66 HydrophobicContact CG-CD1 4.09Å; K17-Y66 HydrophobicContact CG-CG 4.45Å; I18-Y66 PolarHBondContact N-O 3.35Å; Y52-Y66 CarbonylContact O-C 2.92Å; Y52-Y66 WeakPolarHBondContact O-CA 3.39Å; Y66-L68 HydrophobicContact CE1-CB 4.32Å
67V98.2Very high94.3Very high0 Ų052.1 Ų52.10%026%0.257CS..EExtended strand (participates in β ladder)trans-105.9127.4-180178.10000108.6I18 V20 T32 F36 S51 Y52 L65 F170I18-V67 HydrophobicContact CB-CG2 4.2Å; I18-V67 CarbonylContact O-C 3.56Å; I18-V67 WeakPolarHBondContact O-CA 3.35Å; V20-V67 HydrophobicContact CG2-CG1 3.78Å; T32-V67 HydrophobicContact CG2-CG1 3.88Å; F36-V67 HydrophobicContact CE2-CB 3.57Å; F36-V67 HydrophobicContact CE2-CG1 4.23Å; F36-V67 HydrophobicContact CE2-CG2 3.57Å; F36-V67 HydrophobicContact CZ-CB 3.75Å; F36-V67 HydrophobicContact CZ-CG2 3.56Å; S51-V67 WeakPolarHBondContact CA-O 3.24Å; Y52-V67 PolarHBondContact N-O 2.92Å; Y52-V67 PolarHBondContact O-N 2.74Å; L65-V67 HydrophobicContact CB-CG2 4.45Å; V67-F170 HydrophobicContact CB-CE1 4.42Å; V67-F170 HydrophobicContact CG1-CE1 3.75Å; V67-F170 HydrophobicContact CG1-CZ 4.26Å; V67-F170 HydrophobicContact CG2-CD1 3.96Å; V67-F170 HydrophobicContact CG2-CE1 3.73Å
68L97.6Very high94.1Very high7 Ų749.9 Ų49.94%0.03726%0.258CS..EExtended strand (participates in β ladder)trans-105.3115.5171.3-170.778.5000109.4I18 V19 V20 Y66 T70 Y83I18-L68 PolarHBondContact O-N 3.18Å; V19-L68 HydrophobicContact CG1-CD2 4.4Å; V19-L68 HydrophobicContact CG2-CB 4.43Å; V20-L68 PolarHBondContact N-O 2.96Å; Y66-L68 HydrophobicContact CE1-CB 4.32Å; L68-T70 HydrophobicContact CD2-CG2 4.02Å; L68-T70 HydrophobicContact CG-CG2 4.21Å; L68-Y83 VanDerWaalsContact CD2-CB 3.47Å; L68-Y83 HydrophobicContact CD2-CD1 3.23Å; L68-Y83 HydrophobicContact CD2-CD2 3.36Å; L68-Y83 HydrophobicContact CD2-CE1 3.73Å; L68-Y83 HydrophobicContact CD2-CE2 3.81Å; L68-Y83 HydrophobicContact CD2-CG 3.04Å
69D95.9Very high93.9Very high2 Ų253.3 Ų53.31%0.01128%0.275CS..EExtended strand (participates in β ladder)trans-84.1136.5166.5-175.929.4000109.3K28 S29 T32 E49 D50K28-D69 WeakPolarHBondContact CB-OD1 3.44Å; S29-D69 WeakPolarHBondContact CA-OD2 3.3Å; S29-D69 WeakPolarHBondContact CB-OD2 3.44Å; S29-D69 PolarHBondContact OG-OD2 2.88Å; T32-D69 HydrophobicContact CG2-CB 4.46Å; E49-D69 WeakPolarHBondContact CA-O 3.47Å; D50-D69 PolarHBondContact N-O 2.88Å; D50-D69 PolarHBondContact O-N 3.26Å
70T94.5Very high93.8Very high3 Ų349.4 Ų49.42%0.01825%0.254CS..EExtended strand (participates in β ladder)trans-124154.5-171.267.30000112.1V19 V20 K28 L68 G72 Y83V19-T70 HydrophobicContact CG1-CG2 3.63Å; V20-T70 PolarHBondContact O-OG1 2.99Å; K28-T70 WeakPolarHBondContact CE-O 3.49Å; L68-T70 HydrophobicContact CD2-CG2 4.02Å; L68-T70 HydrophobicContact CG-CG2 4.21Å; T70-G72 PolarHBondContact O-N 2.86Å; T70-Y83 HydrophobicContact CG2-CD2 4.37Å
71A92.1Very high93.7Very high2 Ų246.2 Ų46.22%0.01723%0.234CC..  trans-58.5135.8167.400000111.8T47 I48 F76 R80T47-A71 VanDerWaalsContact O-CA 3.28Å; T47-A71 WeakPolarHBondContact O-CA 3.46Å; T47-A71 VanDerWaalsContact O-CB 3.23Å; T47-A71 WeakPolarHBondContact O-CB 3.28Å; I48-A71 VanDerWaalsContact O-CB 3.3Å; I48-A71 WeakPolarHBondContact O-CB 3.27Å; I48-A71 PolarHBondContact O-N 3.18Å; A71-F76 HydrophobicContact CB-CB 3.59Å; A71-F76 HydrophobicContact CB-CD2 3.43Å; A71-F76 VanDerWaalsContact CB-CD2 3.43Å; A71-F76 HydrophobicContact CB-CE2 4.23Å; A71-F76 HydrophobicContact CB-CG 3.6Å; A71-R80 PolarHBondContact O-NH1 2.92Å
72G83.8Confident93.7Very high5 Ų546.2 Ų46.25%0.05223%0.234CC..  trans-82.6-22.6172.200000114.1G22 T70G22-G72 WeakPolarHBondContact O-CA 3.43Å; T70-G72 PolarHBondContact O-N 2.86Å
73Q89.4Confident93.6Very high97 Ų9743.5 Ų43.545%0.45322%0.218SC..SBendtrans-72.5155.8-173.7-52.4-63.9-5.200112.4E75 F76 R80Q73-E75 VanDerWaalsContact CB-OE2 3.29Å; Q73-E75 WeakPolarHBondContact CB-OE2 3.42Å; Q73-E75 PolarHBondContact O-N 3.43Å; Q73-F76 HydrophobicContact CB-CD2 4.08Å; Q73-F76 HydrophobicContact CB-CE2 4.41Å; Q73-F76 PolarHBondContact O-N 3.43Å; Q73-R80 PolarHBondContact O-NH1 2.87Å
74E89Confident93.5Very high87 Ų8743.5 Ų43.541%0.40722%0.218SC..G310 helixtrans-74.8-27.8-171.4-16956.3-165.800113.6F76 S77 R80 R107E74-F76 PolarHBondContact O-N 2.98Å; E74-F76 VanDerWaalsContact O-N 3.08Å; E74-S77 VanDerWaalsContact O-CB 3.25Å; E74-S77 WeakPolarHBondContact O-CB 3.45Å; E74-S77 PolarHBondContact O-N 3.33Å; E74-S77 PolarHBondContact O-OG 2.94Å; E74-R80 IonicContact OE2-NH2 3.6Å; E74-R80 PolarHBondContact OE2-NH2 3.38Å; E74-R107 VanDerWaalsContact CD-NH1 3.25Å; E74-R107 IonicContact OE1-NH1 3.94Å; E74-R107 PolarHBondContact OE1-NH1 2.87Å; E74-R107 IonicContact OE2-CZ 3.89Å; E74-R107 IonicContact OE2-NH1 3.47Å; E74-R107 PolarHBondContact OE2-NH1 2.64Å; E74-R107 IonicContact OE2-NH2 3.39Å; E74-R107 PolarHBondContact OE2-NH2 3.43Å
75E92.1Very high93.4Very high151 Ų15147.8 Ų47.871%0.70623%0.232SC*.G310 helixtrans-62.9-18.1178.4-58.876.1-163.500112.3Q73Q73-E75 VanDerWaalsContact CB-OE2 3.29Å; Q73-E75 WeakPolarHBondContact CB-OE2 3.42Å; Q73-E75 PolarHBondContact O-N 3.43Å
76F91.4Very high93.1Very high65 Ų6552.1 Ų52.129%0.28525%0.254SS..G310 helixtrans-101.99.6177.8-58.2-76.2000114I48 A71 Q73 E74 A78 M79 R80I48-F76 HydrophobicContact CB-CE1 4.39Å; I48-F76 HydrophobicContact CD1-CE1 4.32Å; I48-F76 HydrophobicContact CD1-CZ 4.39Å; I48-F76 HydrophobicContact CG1-CE1 3.98Å; I48-F76 HydrophobicContact CG1-CZ 3.9Å; I48-F76 HydrophobicContact CG2-CD1 4.01Å; I48-F76 HydrophobicContact CG2-CE1 3.8Å; A71-F76 HydrophobicContact CB-CB 3.59Å; A71-F76 HydrophobicContact CB-CD2 3.43Å; A71-F76 VanDerWaalsContact CB-CD2 3.43Å; A71-F76 HydrophobicContact CB-CE2 4.23Å; A71-F76 HydrophobicContact CB-CG 3.6Å; Q73-F76 HydrophobicContact CB-CD2 4.08Å; Q73-F76 HydrophobicContact CB-CE2 4.41Å; Q73-F76 PolarHBondContact O-N 3.43Å; E74-F76 PolarHBondContact O-N 2.98Å; E74-F76 VanDerWaalsContact O-N 3.08Å; F76-A78 PolarHBondContact O-N 3.1Å; F76-M79 PolarHBondContact O-N 2.97Å; F76-R80 PolarHBondContact O-N 2.85Å
77S91.3Very high93Very high33 Ų3349.1 Ų49.123%0.23124%0.243CC..Hα-helixtrans-52.7-47.7-178.951.50000113.6E74 M79 R80 E81E74-S77 VanDerWaalsContact O-CB 3.25Å; E74-S77 WeakPolarHBondContact O-CB 3.45Å; E74-S77 PolarHBondContact O-N 3.33Å; E74-S77 PolarHBondContact O-OG 2.94Å; S77-M79 VanDerWaalsContact C-N 3.3Å; S77-M79 PolarHBondContact O-N 3.35Å; S77-R80 WeakPolarHBondContact O-CB 3.47Å; S77-R80 PolarHBondContact O-N 3.03Å; S77-R80 VanDerWaalsContact O-N 3.14Å; S77-E81 WeakPolarHBondContact O-CG 3.37Å; S77-E81 PolarHBondContact O-N 3.29Å
78A92.9Very high92.9Very high70 Ų7051.8 Ų51.858%0.57926%0.256SS*.Hα-helixtrans-60.9-37.6-179.400000113.3F76 Q82F76-A78 PolarHBondContact O-N 3.1Å; A78-Q82 PolarHBondContact O-N 3.14Å
79M92.4Very high92.9Very high73 Ų7351.5 Ų51.536%0.3625%0.254SS..Hα-helixtrans-69.8-44.7175.5178.8-177.1-80.100110.5I48 F76 S77 E81 Q82 Y83I48-M79 HydrophobicContact CG2-CE 4.4Å; I48-M79 HydrophobicContact CG2-SD 3.92Å; F76-M79 PolarHBondContact O-N 2.97Å; S77-M79 VanDerWaalsContact C-N 3.3Å; S77-M79 PolarHBondContact O-N 3.35Å; M79-E81 VanDerWaalsContact C-N 3.33Å; M79-E81 PolarHBondContact O-N 2.92Å; M79-Q82 VanDerWaalsContact O-CB 3.32Å; M79-Q82 WeakPolarHBondContact O-CB 3.48Å; M79-Q82 PolarHBondContact O-N 3.19Å; M79-Q82 VanDerWaalsContact O-N 3.08Å; M79-Y83 HydrophobicContact CG-CD2 4.3Å; M79-Y83 HydrophobicContact CG-CE2 3.57Å; M79-Y83 VanDerWaalsContact O-CD2 3.24Å; M79-Y83 WeakPolarHBondContact O-CD2 3.39Å; M79-Y83 PolarHBondContact O-N 3.31Å; M79-Y83 HydrophobicContact SD-CE2 4.39Å
80R93.7Very high93Very high4 Ų451.4 Ų51.42%0.01525%0.253CS..Hα-helixtrans-58.3-40.9175.3-179173.661.9-118.14.6112.5V21 A71 Q73 E74 F76 S77 Q82 Y83 M84 E111V21-R80 HydrophobicContact CG1-CG 4.28Å; A71-R80 PolarHBondContact O-NH1 2.92Å; Q73-R80 PolarHBondContact O-NH1 2.87Å; E74-R80 IonicContact OE2-NH2 3.6Å; E74-R80 PolarHBondContact OE2-NH2 3.38Å; F76-R80 PolarHBondContact O-N 2.85Å; S77-R80 WeakPolarHBondContact O-CB 3.47Å; S77-R80 PolarHBondContact O-N 3.03Å; S77-R80 VanDerWaalsContact O-N 3.14Å; R80-Q82 VanDerWaalsContact C-N 3.29Å; R80-Q82 PolarHBondContact O-N 3.34Å; R80-Y83 WeakPolarHBondContact O-CB 3.27Å; R80-Y83 PolarHBondContact O-N 2.89Å; R80-Y83 VanDerWaalsContact O-N 3.1Å; R80-M84 HydrophobicContact CG-CE 3.68Å; R80-M84 HydrophobicContact CG-SD 4.44Å; R80-M84 WeakPolarHBondContact O-CG 3.02Å; R80-M84 PolarHBondContact O-N 3.4Å; R80-E111 IonicContact CZ-OE2 2.96Å; R80-E111 IonicContact NE-OE2 2.62Å; R80-E111 PolarHBondContact NE-OE2 3.42Å; R80-E111 IonicContact NH2-OE1 3.29Å; R80-E111 IonicContact NH2-OE2 2.86Å; R80-E111 PolarHBondContact NH2-OE2 3.08Å
81E93.6Very high93.2Very high79 Ų7951.2 Ų51.237%0.36925%0.252SS..Hα-helixtrans-61.2-35.5175-73.6-172.6179.300113S77 M79 Y83 M84 R85S77-E81 WeakPolarHBondContact O-CG 3.37Å; S77-E81 PolarHBondContact O-N 3.29Å; M79-E81 VanDerWaalsContact C-N 3.33Å; M79-E81 PolarHBondContact O-N 2.92Å; E81-Y83 VanDerWaalsContact C-N 3.25Å; E81-Y83 PolarHBondContact O-N 3.03Å; E81-M84 PolarHBondContact O-N 2.96Å; E81-R85 PolarHBondContact O-N 3.17Å; E81-R85 IonicContact OE2-NH1 3.6Å
82Q94.8Very high93.5Very high105 Ų10551.2 Ų51.249%0.49125%0.252SS..Hα-helixtrans-61.1-39.4174.9-178.2178.9-48.900111.2A78 M79 R80 R85 I86A78-Q82 PolarHBondContact O-N 3.14Å; M79-Q82 VanDerWaalsContact O-CB 3.32Å; M79-Q82 WeakPolarHBondContact O-CB 3.48Å; M79-Q82 PolarHBondContact O-N 3.19Å; M79-Q82 VanDerWaalsContact O-N 3.08Å; R80-Q82 VanDerWaalsContact C-N 3.29Å; R80-Q82 PolarHBondContact O-N 3.34Å; Q82-R85 PolarHBondContact O-N 3.03Å; Q82-I86 PolarHBondContact O-N 3.18Å
83Y94Very high94.2Very high31 Ų3151 Ų5112%0.12225%0.25CC..Hα-helixtrans-71.7-37.7176.2-59.8-48.9000112.9E49 L68 T70 M79 R80 E81 R85 I86 G87E49-Y83 HydrophobicContact CB-CE2 4.44Å; E49-Y83 PolarHBondContact OE1-OH 3.15Å; E49-Y83 WeakPolarHBondContact OE2-CE2 3.36Å; E49-Y83 PolarHBondContact OE2-OH 2.82Å; L68-Y83 VanDerWaalsContact CD2-CB 3.47Å; L68-Y83 HydrophobicContact CD2-CD1 3.23Å; L68-Y83 HydrophobicContact CD2-CD2 3.36Å; L68-Y83 HydrophobicContact CD2-CE1 3.73Å; L68-Y83 HydrophobicContact CD2-CE2 3.81Å; L68-Y83 HydrophobicContact CD2-CG 3.04Å; T70-Y83 HydrophobicContact CG2-CD2 4.37Å; M79-Y83 HydrophobicContact CG-CD2 4.3Å; M79-Y83 HydrophobicContact CG-CE2 3.57Å; M79-Y83 VanDerWaalsContact O-CD2 3.24Å; M79-Y83 WeakPolarHBondContact O-CD2 3.39Å; M79-Y83 PolarHBondContact O-N 3.31Å; M79-Y83 HydrophobicContact SD-CE2 4.39Å; R80-Y83 WeakPolarHBondContact O-CB 3.27Å; R80-Y83 PolarHBondContact O-N 2.89Å; R80-Y83 VanDerWaalsContact O-N 3.1Å; E81-Y83 VanDerWaalsContact C-N 3.25Å; E81-Y83 PolarHBondContact O-N 3.03Å; Y83-R85 VanDerWaalsContact C-N 3.26Å; Y83-R85 PolarHBondContact O-N 3.44Å; Y83-I86 HydrophobicContact CD1-CD1 4.17Å; Y83-I86 WeakPolarHBondContact O-CG1 3.22Å; Y83-I86 PolarHBondContact O-N 2.74Å; Y83-I86 VanDerWaalsContact O-N 3.15Å; Y83-G87 PolarHBondContact O-N 3Å
84M94.7Very high94.7Very high0 Ų046.4 Ų46.40%023%0.228CC..Hα-helixtrans-59.3-35.9170.5-67.8173.7177.500112.2V21 R80 E81 I86 F90 F108 E111 I112 C115 K116V21-M84 HydrophobicContact CB-CE 4.45Å; V21-M84 HydrophobicContact CG1-CE 3.94Å; R80-M84 HydrophobicContact CG-CE 3.68Å; R80-M84 HydrophobicContact CG-SD 4.44Å; R80-M84 WeakPolarHBondContact O-CG 3.02Å; R80-M84 PolarHBondContact O-N 3.4Å; E81-M84 PolarHBondContact O-N 2.96Å; M84-I86 PolarHBondContact O-N 2.92Å; M84-F90 HydrophobicContact CB-CE1 4.19Å; M84-F90 HydrophobicContact CB-CZ 4.42Å; M84-F90 HydrophobicContact CG-CE1 4.06Å; M84-F90 VanDerWaalsContact O-CZ 3.27Å; M84-F90 WeakPolarHBondContact O-CZ 3.41Å; M84-F108 HydrophobicContact CE-CD1 4.29Å; M84-E111 HydrophobicContact CE-CB 3.99Å; M84-E111 HydrophobicContact SD-CB 3.77Å; M84-I112 HydrophobicContact CE-CG1 3.82Å; M84-I112 HydrophobicContact CG-CG1 4.03Å; M84-I112 HydrophobicContact SD-CG1 3.87Å; M84-C115 HydrophobicContact CB-CB 3.73Å; M84-K116 WeakPolarHBondContact O-CE 3.1Å; M84-K116 PolarHBondContact O-NZ 3.35Å; M84-K116 VanDerWaalsContact O-NZ 3.09Å
85R93.8Very high95.1Very high124 Ų12442.3 Ų42.347%0.46821%0.209SC..Hα-helixtrans-63.9-38.6174.8-74.2-177.2-74-88.24.6113E81 Q82 Y83 C115 K116E81-R85 PolarHBondContact O-N 3.17Å; E81-R85 IonicContact OE2-NH1 3.6Å; Q82-R85 PolarHBondContact O-N 3.03Å; Y83-R85 VanDerWaalsContact C-N 3.26Å; Y83-R85 PolarHBondContact O-N 3.44Å; R85-C115 HydrophobicContact CG-CB 4.14Å; R85-K116 PolarHBondContact O-NZ 2.9Å
86I92.1Very high95.4Very high92 Ų9235.1 Ų35.147%0.47218%0.175SC..Hα-helixtrans-95.4-16.7-174.766.3170000115.4Q82 Y83 M84Q82-I86 PolarHBondContact O-N 3.18Å; Y83-I86 HydrophobicContact CD1-CD1 4.17Å; Y83-I86 WeakPolarHBondContact O-CG1 3.22Å; Y83-I86 PolarHBondContact O-N 2.74Å; Y83-I86 VanDerWaalsContact O-N 3.15Å; M84-I86 PolarHBondContact O-N 2.92Å
87G95Very high95.8Very high1 Ų133 Ų331%0.0117%0.168CC..  trans-67.6144.1-177.500000113.9Y83 K116 Y121Y83-G87 PolarHBondContact O-N 3Å; G87-K116 WeakPolarHBondContact O-CE 3.39Å; G87-K116 PolarHBondContact O-NZ 2.9Å; G87-Y121 WeakPolarHBondContact O-CE1 3.29Å; G87-Y121 PolarHBondContact O-OH 3.05Å
88Q96Very high96.1Very high57 Ų5733.8 Ų33.827%0.26617%0.17SC..SBendtrans-93.3-25.6175.9-70.4168.6-73.300112.7L15 K17 Y121 P122 I177L15-Q88 PolarHBondContact O-OE1 3.17Å; K17-Q88 HydrophobicContact CB-CG 4.41Å; K17-Q88 WeakPolarHBondContact O-CA 3.48Å; K17-Q88 WeakPolarHBondContact O-CB 3.48Å; K17-Q88 PolarHBondContact O-N 2.79Å; Q88-Y121 WeakPolarHBondContact O-CE1 3.35Å; Q88-P122 WeakPolarHBondContact O-CD 3.49Å; Q88-P122 WeakPolarHBondContact O-CG 3.4Å; Q88-I177 HydrophobicContact CB-CD1 4.13Å; Q88-I177 HydrophobicContact CB-CG1 4.5Å; Q88-I177 HydrophobicContact CB-CG2 4.2Å
89G97.6Very high96.4Very high0 Ų032.5 Ų32.50%016%0.156CC..EExtended strand (participates in β ladder)trans-148.7156.9171.300000112.3K17 I18 V19 P122 M173K17-G89 PolarHBondContact O-N 2.91Å; I18-G89 WeakPolarHBondContact CA-O 3.43Å; V19-G89 PolarHBondContact N-O 3.26Å; G89-P122 CarbonylContact C-O 3.51Å; G89-P122 WeakPolarHBondContact CA-O 3.33Å; G89-M173 VanDerWaalsContact CA-SD 3.59Å
90F98.4Very high96.7Very high0 Ų034.8 Ų34.80%017%0.165CC..EExtended strand (participates in β ladder)trans-130130.1-172.6-58.6-82.8000112.4V19 M84 I112 K116 Y121 P122 M123 I124 M173V19-F90 HydrophobicContact CB-CD1 3.72Å; V19-F90 HydrophobicContact CB-CE1 3.72Å; V19-F90 HydrophobicContact CG1-CD1 4.39Å; V19-F90 HydrophobicContact CG1-CE1 4.38Å; V19-F90 HydrophobicContact CG2-CD1 4.35Å; V19-F90 HydrophobicContact CG2-CE1 3.86Å; V19-F90 WeakPolarHBondContact O-CA 3.49Å; M84-F90 HydrophobicContact CB-CE1 4.19Å; M84-F90 HydrophobicContact CB-CZ 4.42Å; M84-F90 HydrophobicContact CG-CE1 4.06Å; M84-F90 VanDerWaalsContact O-CZ 3.27Å; M84-F90 WeakPolarHBondContact O-CZ 3.41Å; F90-I112 HydrophobicContact CB-CD1 3.61Å; F90-I112 HydrophobicContact CB-CG1 4.4Å; F90-I112 HydrophobicContact CD1-CD1 4.08Å; F90-I112 HydrophobicContact CD1-CG1 4.06Å; F90-I112 HydrophobicContact CD1-CG2 4.47Å; F90-I112 HydrophobicContact CD2-CD1 4.41Å; F90-I112 HydrophobicContact CD2-CG1 4.42Å; F90-I112 HydrophobicContact CD2-CG2 3.43Å; F90-I112 VanDerWaalsContact CD2-CG2 3.43Å; F90-I112 HydrophobicContact CE2-CG2 3.66Å; F90-I112 HydrophobicContact CG-CD1 3.77Å; F90-I112 HydrophobicContact CG-CG1 4.02Å; F90-I112 HydrophobicContact CG-CG2 3.89Å; F90-I112 HydrophobicContact CZ-CG2 4.34Å; F90-K116 HydrophobicContact CE2-CD 4.49Å; F90-K116 VanDerWaalsContact CE2-CE 3.47Å; F90-K116 HydrophobicContact CE2-CG 4.26Å; F90-Y121 AromaticContact CD2-CD1 3.83Å; F90-Y121 HydrophobicContact CD2-CD1 3.83Å; F90-Y121 HydrophobicContact CD2-CE1 4.14Å; F90-Y121 AromaticContact CE2-CD1 3.51Å; F90-Y121 HydrophobicContact CE2-CD1 3.51Å; F90-Y121 AromaticContact CE2-CE1 3.48Å; F90-Y121 HydrophobicContact CE2-CE1 3.48Å; F90-Y121 VanDerWaalsContact CE2-CE1 3.48Å; F90-Y121 HydrophobicContact CZ-CE1 4.45Å; F90-P122 PolarHBondContact N-O 3.45Å; F90-M123 HydrophobicContact CB-CG 4.16Å; F90-M123 HydrophobicContact CD2-CG 4.43Å; F90-M123 CarbonylContact O-C 3.59Å; F90-M123 WeakPolarHBondContact O-CA 3.33Å; F90-I124 PolarHBondContact O-N 3.31Å; F90-M173 VanDerWaalsContact C-CE 3.49Å; F90-M173 WeakPolarHBondContact O-CE 3.24Å
91I98.9Very high96.9Very high0 Ų034.6 Ų34.60%017%0.165CC..EExtended strand (participates in β ladder)trans-105.5113.4172-59.7171.6000106.6I18 V19 V20 V21 V93 A126 M169 F170 M173I18-I91 HydrophobicContact CG2-CD1 3.85Å; I18-I91 HydrophobicContact CG2-CG1 4.08Å; V19-I91 PolarHBondContact O-N 3.4Å; V20-I91 HydrophobicContact CG1-CB 4.49Å; V21-I91 PolarHBondContact N-O 2.91Å; I91-V93 HydrophobicContact CG2-CG2 3.78Å; I91-A126 HydrophobicContact CG2-CB 3.85Å; I91-M169 HydrophobicContact CD1-CE 4.02Å; I91-M169 HydrophobicContact CD1-CG 3.97Å; I91-M169 HydrophobicContact CD1-SD 4.14Å; I91-M169 HydrophobicContact CG2-CE 4.3Å; I91-M169 HydrophobicContact CG2-CG 4.29Å; I91-M169 HydrophobicContact CG2-SD 3.53Å; I91-M169 VanDerWaalsContact CG2-SD 3.53Å; I91-F170 HydrophobicContact CD1-CD1 3.8Å; I91-F170 HydrophobicContact CD1-CE1 3.68Å; I91-F170 HydrophobicContact CD1-CZ 4.33Å; I91-M173 HydrophobicContact CG1-CE 3.78Å
92I98.7Very high97.1Very high2 Ų232.2 Ų32.21%0.0115%0.153CC..EExtended strand (participates in β ladder)trans-92.8114174.2-51.1174.2000107V21 V105 F108 H109 I112 M123 I124 L125 A126V21-I92 HydrophobicContact CG2-CB 4.33Å; V21-I92 HydrophobicContact CG2-CG1 3.89Å; V21-I92 HydrophobicContact CG2-CG2 4.46Å; I92-V105 HydrophobicContact CG2-CB 4.38Å; I92-V105 HydrophobicContact CG2-CG1 4.05Å; I92-V105 HydrophobicContact CG2-CG2 4.29Å; I92-F108 HydrophobicContact CD1-CB 4.49Å; I92-F108 HydrophobicContact CG2-CB 3.95Å; I92-H109 HydrophobicContact CD1-CB 3.85Å; I92-I112 HydrophobicContact CD1-CD1 3.9Å; I92-I112 HydrophobicContact CG1-CD1 3.88Å; I92-M123 HydrophobicContact CD1-SD 4.38Å; I92-I124 PolarHBondContact N-O 2.98Å; I92-L125 HydrophobicContact CB-CD1 4.39Å; I92-L125 HydrophobicContact CG2-CD1 4.45Å; I92-L125 WeakPolarHBondContact O-CD1 3.22Å; I92-A126 PolarHBondContact O-N 3.25Å
93V98.9Very high97.3Very high0 Ų033.9 Ų33.90%016%0.161CC..EExtended strand (participates in β ladder)trans-104.2132-175.9-170.90000109.6V20 V21 G22 V26 K28 L31 I91 A126 N128V20-V93 HydrophobicContact CG1-CG2 3.62Å; V21-V93 PolarHBondContact O-N 3.42Å; G22-V93 VanDerWaalsContact CA-O 3.3Å; G22-V93 WeakPolarHBondContact CA-O 3.47Å; V26-V93 HydrophobicContact CB-CG1 4.26Å; V26-V93 HydrophobicContact CG2-CB 3.91Å; V26-V93 HydrophobicContact CG2-CG1 3.79Å; K28-V93 HydrophobicContact CG-CB 4.13Å; K28-V93 HydrophobicContact CG-CG2 4.21Å; L31-V93 HydrophobicContact CD1-CG1 3.88Å; L31-V93 HydrophobicContact CD1-CG2 4.15Å; I91-V93 HydrophobicContact CG2-CG2 3.78Å; V93-A126 WeakPolarHBondContact CA-O 3.43Å; V93-A126 HydrophobicContact CG2-CB 4.31Å; V93-N128 HydrophobicContact CG1-CB 3.77Å
94Y98.9Very high97.5Very high0 Ų034.8 Ų34.80%017%0.166CC..EExtended strand (participates in β ladder)trans-125.3162.1163.177.8-84.1000109.6V96 S101 F102 V105 L125 A126 A127 N128 V138 G143 Y154Y94-V96 HydrophobicContact CE2-CG1 4.26Å; Y94-S101 WeakPolarHBondContact CB-O 3.25Å; Y94-F102 HydrophobicContact CD1-CD2 4.19Å; Y94-F102 HydrophobicContact CD2-CB 3.77Å; Y94-F102 AromaticContact CD2-CD2 3.81Å; Y94-F102 HydrophobicContact CD2-CD2 3.81Å; Y94-F102 HydrophobicContact CD2-CG 4.25Å; Y94-F102 AromaticContact CE1-CD2 4Å; Y94-F102 HydrophobicContact CE1-CD2 4Å; Y94-F102 HydrophobicContact CE1-CE2 4.39Å; Y94-F102 HydrophobicContact CE2-CB 4.21Å; Y94-F102 AromaticContact CE2-CD2 3.62Å; Y94-F102 HydrophobicContact CE2-CD2 3.62Å; Y94-F102 HydrophobicContact CE2-CE2 4.42Å; Y94-F102 HydrophobicContact CE2-CG 4.27Å; Y94-F102 HydrophobicContact CG-CB 4.28Å; Y94-F102 HydrophobicContact CG-CD2 4.08Å; Y94-F102 AromaticContact CZ-CD2 3.7Å; Y94-V105 HydrophobicContact CD1-CG2 4.06Å; Y94-V105 HydrophobicContact CG-CG2 4.19Å; Y94-L125 HydrophobicContact CD1-CD1 3.73Å; Y94-L125 HydrophobicContact CD1-CG 4.34Å; Y94-L125 HydrophobicContact CE1-CD1 4.03Å; Y94-L125 HydrophobicContact CE1-CD2 4.41Å; Y94-L125 HydrophobicContact CE1-CG 4.13Å; Y94-A126 WeakPolarHBondContact CD1-O 3.46Å; Y94-A126 PolarHBondContact N-O 2.84Å; Y94-A127 HydrophobicContact CD1-CB 4.35Å; Y94-A127 HydrophobicContact CE1-CB 3.48Å; Y94-A127 VanDerWaalsContact CE1-CB 3.48Å; Y94-A127 HydrophobicContact CE2-CB 4.16Å; Y94-A127 VanDerWaalsContact OH-CB 3.25Å; Y94-A127 WeakPolarHBondContact OH-CB 3.24Å; Y94-N128 WeakPolarHBondContact O-CB 3.28Å; Y94-N128 PolarHBondContact O-N 2.87Å; Y94-V138 HydrophobicContact CE2-CB 4.04Å; Y94-V138 HydrophobicContact CE2-CG1 3.8Å; Y94-V138 HydrophobicContact CE2-CG2 4.47Å; Y94-G143 WeakPolarHBondContact OH-CA 3.22Å; Y94-Y154 HydrophobicContact CE1-CE2 4.17Å; Y94-Y154 PolarHBondContact OH-OH 2.98Å
95S98.7Very high97.7Very high1 Ų134.9 Ų34.91%0.00717%0.167CC..EExtended strand (participates in β ladder)trans-97.7132.3174.6179.90000110.1T97 D98 S101 K129S95-T97 PolarHBondContact O-N 3.47Å; S95-T97 VanDerWaalsContact O-N 3.09Å; S95-T97 PolarHBondContact OG-N 2.72Å; S95-T97 PolarHBondContact OG-OG1 2.94Å; S95-D98 PolarHBondContact O-N 3.19Å; S95-S101 PolarHBondContact N-OG 3.44Å; S95-S101 PolarHBondContact O-OG 3.34Å; S95-K129 VanDerWaalsContact OG-CD 3.27Å; S95-K129 WeakPolarHBondContact OG-CD 3.42Å
96V98.8Very high97.9Very high0 Ų032.1 Ų32.10%016%0.159CC..THydrogen-bonded Turntrans-65.1-14.6176.2-57.80000113Y94 A127 N128 K129 I130 R136 Q137 V138Y94-V96 HydrophobicContact CE2-CG1 4.26Å; V96-A127 HydrophobicContact CG1-CB 3.81Å; V96-N128 WeakPolarHBondContact CG2-O 3.3Å; V96-N128 PolarHBondContact N-O 2.96Å; V96-K129 WeakPolarHBondContact CG2-O 3.49Å; V96-I130 HydrophobicContact CG1-CG2 4.02Å; V96-I130 HydrophobicContact CG2-CG2 4.42Å; V96-R136 HydrophobicContact CB-CG 4.19Å; V96-R136 HydrophobicContact CG2-CB 4.45Å; V96-R136 HydrophobicContact CG2-CG 4.33Å; V96-Q137 PolarHBondContact O-N 3.41Å; V96-V138 PolarHBondContact O-N 3.05Å
97T98.6Very high98.1Very high22 Ų2230.5 Ų30.514%0.13515%0.147CC..THydrogen-bonded Turntrans-92-2.5176.671.70000113.6S95 K129 L132 Q135 Q137S95-T97 PolarHBondContact O-N 3.47Å; S95-T97 VanDerWaalsContact O-N 3.09Å; S95-T97 PolarHBondContact OG-N 2.72Å; S95-T97 PolarHBondContact OG-OG1 2.94Å; T97-K129 HydrophobicContact CG2-CB 4.47Å; T97-L132 HydrophobicContact CG2-CB 3.73Å; T97-L132 HydrophobicContact CG2-CD1 3.92Å; T97-L132 HydrophobicContact CG2-CG 4.46Å; T97-Q135 WeakPolarHBondContact CA-O 3.35Å; T97-Q135 WeakPolarHBondContact CB-O 3.22Å; T97-Q135 HydrophobicContact CG2-CB 3.88Å; T97-Q137 PolarHBondContact O-NE2 3.4Å
98D98.4Very high98.1Very high48 Ų4830.5 Ų30.526%0.25715%0.147SC..  trans-133.596.5-172.1-179.1-1.4000110.9S95 Q100 S101 F102S95-D98 PolarHBondContact O-N 3.19Å; D98-Q100 VanDerWaalsContact C-N 3.27Å; D98-Q100 PolarHBondContact O-N 2.91Å; D98-Q100 WeakPolarHBondContact OD1-CB 3.32Å; D98-Q100 PolarHBondContact OD1-N 2.94Å; D98-S101 PolarHBondContact O-N 3.04Å; D98-S101 PolarHBondContact O-OG 3.03Å; D98-S101 PolarHBondContact OD1-N 3.32Å; D98-F102 PolarHBondContact O-N 3.36Å
99P98.4Very high98.2Very high44 Ų4429.2 Ų29.229%0.28614%0.141SC..Hα-helixtrans-59-33.2178.2-2636.3000114.1S101 F102 E103 Q137 V138P99-S101 VanDerWaalsContact C-N 3.35Å; P99-S101 PolarHBondContact O-N 2.76Å; P99-F102 WeakPolarHBondContact O-CB 3.15Å; P99-F102 PolarHBondContact O-N 3.47Å; P99-F102 VanDerWaalsContact O-N 3.14Å; P99-E103 PolarHBondContact O-N 3.37Å; P99-E103 VanDerWaalsContact O-N 3.08Å; P99-Q137 HydrophobicContact CG-CB 3.61Å; P99-Q137 HydrophobicContact CG-CG 4.43Å; P99-V138 HydrophobicContact CB-CG2 4.46Å; P99-V138 HydrophobicContact CG-CG2 4.48Å
100Q98.3Very high98.1Very high120 Ų12034.5 Ų34.556%0.56116%0.164SC*.Hα-helixtrans-64.1-44.4179.1-178.7-178.7-16.500110.1D98 F102 E103 E104D98-Q100 VanDerWaalsContact C-N 3.27Å; D98-Q100 PolarHBondContact O-N 2.91Å; D98-Q100 WeakPolarHBondContact OD1-CB 3.32Å; D98-Q100 PolarHBondContact OD1-N 2.94Å; Q100-F102 PolarHBondContact O-N 3.13Å; Q100-F102 VanDerWaalsContact O-N 3.17Å; Q100-E103 WeakPolarHBondContact O-CB 3.2Å; Q100-E103 PolarHBondContact O-N 2.89Å; Q100-E103 VanDerWaalsContact O-N 3.07Å; Q100-E104 WeakPolarHBondContact O-CG 3.21Å; Q100-E104 PolarHBondContact O-N 2.97Å; Q100-E104 VanDerWaalsContact O-N 3.08Å
101S98.5Very high97.9Very high1 Ų135.5 Ų35.51%0.00717%0.169CC..Hα-helixtrans-59.9-29176.477.60000113.5V26 Y94 S95 D98 P99V26-S101 VanDerWaalsContact CG1-CB 3.42Å; Y94-S101 WeakPolarHBondContact CB-O 3.25Å; S95-S101 PolarHBondContact N-OG 3.44Å; S95-S101 PolarHBondContact O-OG 3.34Å; D98-S101 PolarHBondContact O-N 3.04Å; D98-S101 PolarHBondContact O-OG 3.03Å; D98-S101 PolarHBondContact OD1-N 3.32Å; P99-S101 VanDerWaalsContact C-N 3.35Å; P99-S101 PolarHBondContact O-N 2.76Å
102F98.8Very high97.7Very high29 Ų2935.5 Ų35.513%0.12717%0.169CC..Hα-helixtrans-74.2-39.1175.5177.3-108.6000112.2Y94 D98 P99 Q100 E104 V105 V138 E142 L146Y94-F102 HydrophobicContact CD1-CD2 4.19Å; Y94-F102 HydrophobicContact CD2-CB 3.77Å; Y94-F102 AromaticContact CD2-CD2 3.81Å; Y94-F102 HydrophobicContact CD2-CD2 3.81Å; Y94-F102 HydrophobicContact CD2-CG 4.25Å; Y94-F102 AromaticContact CE1-CD2 4Å; Y94-F102 HydrophobicContact CE1-CD2 4Å; Y94-F102 HydrophobicContact CE1-CE2 4.39Å; Y94-F102 HydrophobicContact CE2-CB 4.21Å; Y94-F102 AromaticContact CE2-CD2 3.62Å; Y94-F102 HydrophobicContact CE2-CD2 3.62Å; Y94-F102 HydrophobicContact CE2-CE2 4.42Å; Y94-F102 HydrophobicContact CE2-CG 4.27Å; Y94-F102 HydrophobicContact CG-CB 4.28Å; Y94-F102 HydrophobicContact CG-CD2 4.08Å; Y94-F102 AromaticContact CZ-CD2 3.7Å; D98-F102 PolarHBondContact O-N 3.36Å; P99-F102 WeakPolarHBondContact O-CB 3.15Å; P99-F102 PolarHBondContact O-N 3.47Å; P99-F102 VanDerWaalsContact O-N 3.14Å; Q100-F102 PolarHBondContact O-N 3.13Å; Q100-F102 VanDerWaalsContact O-N 3.17Å; F102-E104 VanDerWaalsContact C-N 3.27Å; F102-E104 PolarHBondContact O-N 2.8Å; F102-V105 WeakPolarHBondContact O-CB 3.47Å; F102-V105 WeakPolarHBondContact O-CG2 3.28Å; F102-V105 PolarHBondContact O-N 2.99Å; F102-V138 HydrophobicContact CB-CG1 4.44Å; F102-V138 HydrophobicContact CB-CG2 3.93Å; F102-V138 HydrophobicContact CD1-CG1 4.09Å; F102-V138 HydrophobicContact CD1-CG2 4.44Å; F102-V138 HydrophobicContact CD2-CG1 3.87Å; F102-V138 HydrophobicContact CE1-CG1 4.27Å; F102-V138 HydrophobicContact CE2-CG1 4.05Å; F102-V138 HydrophobicContact CG-CG1 3.87Å; F102-V138 HydrophobicContact CG-CG2 4.18Å; F102-V138 HydrophobicContact CZ-CG1 4.24Å; F102-E142 HydrophobicContact CE1-CB 4.43Å; F102-E142 HydrophobicContact CZ-CB 4.1Å; F102-L146 HydrophobicContact CD2-CD2 3.94Å; F102-L146 HydrophobicContact CE1-CD2 4.36Å; F102-L146 HydrophobicContact CE2-CB 3.92Å; F102-L146 HydrophobicContact CE2-CD2 3.36Å; F102-L146 HydrophobicContact CE2-CG 4.27Å; F102-L146 HydrophobicContact CZ-CB 3.77Å; F102-L146 HydrophobicContact CZ-CD2 3.62Å; F102-L146 HydrophobicContact CZ-CG 4.3Å
103E98.2Very high97.5Very high140 Ų14037.2 Ų37.265%0.65418%0.18SC*.Hα-helixtrans-61.9-37.5173.8-68.1178.4-179.500111.7P99 Q100 V105P99-E103 PolarHBondContact O-N 3.37Å; P99-E103 VanDerWaalsContact O-N 3.08Å; Q100-E103 WeakPolarHBondContact O-CB 3.2Å; Q100-E103 PolarHBondContact O-N 2.89Å; Q100-E103 VanDerWaalsContact O-N 3.07Å; E103-V105 VanDerWaalsContact C-N 3.27Å; E103-V105 PolarHBondContact O-N 3.46Å
104E98Very high97.2Very high50 Ų5046.7 Ų46.723%0.23422%0.216CC..THydrogen-bonded Turntrans-68.6-19179.8-69.8-64109.300114Q100 F102 Q106 R107 F108Q100-E104 WeakPolarHBondContact O-CG 3.21Å; Q100-E104 PolarHBondContact O-N 2.97Å; Q100-E104 VanDerWaalsContact O-N 3.08Å; F102-E104 VanDerWaalsContact C-N 3.27Å; F102-E104 PolarHBondContact O-N 2.8Å; E104-Q106 VanDerWaalsContact C-N 3.26Å; E104-Q106 PolarHBondContact O-N 3.39Å; E104-R107 VanDerWaalsContact O-CB 3.3Å; E104-R107 WeakPolarHBondContact O-CB 3.48Å; E104-R107 PolarHBondContact O-N 3Å; E104-R107 IonicContact OE2-CZ 2.72Å; E104-R107 IonicContact OE2-NE 3.65Å; E104-R107 PolarHBondContact OE2-NE 2.51Å; E104-R107 IonicContact OE2-NH2 3.43Å; E104-R107 PolarHBondContact OE2-NH2 3.39Å; E104-F108 HydrophobicContact CB-CD2 4.32Å; E104-F108 HydrophobicContact CB-CE2 4.02Å; E104-F108 VanDerWaalsContact O-CD2 3.28Å; E104-F108 WeakPolarHBondContact O-CD2 2.84Å; E104-F108 PolarHBondContact O-N 3.27Å
105V98.6Very high96.9Very high1 Ų148 Ų481%0.00623%0.225CC..Hα-helixtrans-52.7-43.6-179.5169.20000112I92 Y94 F102 E103 R107 F108 H109 L125 L146 L150I92-V105 HydrophobicContact CG2-CB 4.38Å; I92-V105 HydrophobicContact CG2-CG1 4.05Å; I92-V105 HydrophobicContact CG2-CG2 4.29Å; Y94-V105 HydrophobicContact CD1-CG2 4.06Å; Y94-V105 HydrophobicContact CG-CG2 4.19Å; F102-V105 WeakPolarHBondContact O-CB 3.47Å; F102-V105 WeakPolarHBondContact O-CG2 3.28Å; F102-V105 PolarHBondContact O-N 2.99Å; E103-V105 VanDerWaalsContact C-N 3.27Å; E103-V105 PolarHBondContact O-N 3.46Å; V105-R107 VanDerWaalsContact C-N 3.25Å; V105-R107 PolarHBondContact O-N 2.67Å; V105-F108 PolarHBondContact O-N 2.78Å; V105-H109 WeakPolarHBondContact O-CB 3.23Å; V105-H109 PolarHBondContact O-N 2.94Å; V105-L125 HydrophobicContact CB-CD1 4.38Å; V105-L125 HydrophobicContact CG1-CD1 3.53Å; V105-L125 HydrophobicContact CG1-CD2 4.23Å; V105-L125 HydrophobicContact CG2-CD1 3.85Å; V105-L146 HydrophobicContact CB-CD2 3.89Å; V105-L146 HydrophobicContact CG1-CD2 3.75Å; V105-L146 HydrophobicContact CG2-CD2 4.43Å; V105-L150 HydrophobicContact CG1-CD1 3.76Å
106Q97.8Very high96.5Very high67 Ų6749.6 Ų49.631%0.31323%0.232SC..Hα-helixtrans-66.1-30.7-178.9-67.6-171.852.500112.4E104 K110 L146 L150E104-Q106 VanDerWaalsContact C-N 3.26Å; E104-Q106 PolarHBondContact O-N 3.39Å; Q106-K110 WeakPolarHBondContact O-CB 3.25Å; Q106-K110 VanDerWaalsContact O-CG 3.24Å; Q106-K110 WeakPolarHBondContact O-CG 3.3Å; Q106-K110 PolarHBondContact O-N 3.36Å; Q106-L146 HydrophobicContact CG-CD1 3.84Å; Q106-L150 HydrophobicContact CG-CD2 4.39Å
107R96.3Very high95.7Very high58 Ų5857 Ų5722%0.21927%0.272CS..Hα-helixtrans-67.8-51.4175.8-175.5-177.668.9114.1-27.9110.3E74 E104 V105 H109 K110 E111E74-R107 VanDerWaalsContact CD-NH1 3.25Å; E74-R107 IonicContact OE1-NH1 3.94Å; E74-R107 PolarHBondContact OE1-NH1 2.87Å; E74-R107 IonicContact OE2-CZ 3.89Å; E74-R107 IonicContact OE2-NH1 3.47Å; E74-R107 PolarHBondContact OE2-NH1 2.64Å; E74-R107 IonicContact OE2-NH2 3.39Å; E74-R107 PolarHBondContact OE2-NH2 3.43Å; E104-R107 VanDerWaalsContact O-CB 3.3Å; E104-R107 WeakPolarHBondContact O-CB 3.48Å; E104-R107 PolarHBondContact O-N 3Å; E104-R107 IonicContact OE2-CZ 2.72Å; E104-R107 IonicContact OE2-NE 3.65Å; E104-R107 PolarHBondContact OE2-NE 2.51Å; E104-R107 IonicContact OE2-NH2 3.43Å; E104-R107 PolarHBondContact OE2-NH2 3.39Å; V105-R107 VanDerWaalsContact C-N 3.25Å; V105-R107 PolarHBondContact O-N 2.67Å; R107-H109 VanDerWaalsContact C-N 3.3Å; R107-H109 PolarHBondContact O-N 3.48Å; R107-K110 WeakPolarHBondContact O-CB 3.29Å; R107-K110 PolarHBondContact O-N 3.2Å; R107-K110 VanDerWaalsContact O-N 3.09Å; R107-E111 IonicContact CZ-OE1 3.2Å; R107-E111 IonicContact NE-OE1 2.65Å; R107-E111 IonicContact NH1-OE1 2.67Å; R107-E111 PolarHBondContact NH1-OE1 3.25Å; R107-E111 WeakPolarHBondContact O-CG 3.48Å; R107-E111 PolarHBondContact O-N 2.77Å
108F96.7Very high94.5Very high0 Ų057.5 Ų57.50%028%0.275CS..Hα-helixtrans-57.5-42.7176-71.9-73.5000112.1V21 G22 D23 M84 I92 E104 V105 K110 E111 I112V21-F108 HydrophobicContact CB-CD1 4Å; V21-F108 HydrophobicContact CB-CE1 4.4Å; V21-F108 HydrophobicContact CG2-CB 4.22Å; V21-F108 HydrophobicContact CG2-CD1 4.14Å; V21-F108 HydrophobicContact CG2-CG 4.37Å; G22-F108 VanDerWaalsContact C-CE2 3.48Å; D23-F108 HydrophobicContact CB-CE2 4.47Å; M84-F108 HydrophobicContact CE-CD1 4.29Å; I92-F108 HydrophobicContact CD1-CB 4.49Å; I92-F108 HydrophobicContact CG2-CB 3.95Å; E104-F108 HydrophobicContact CB-CD2 4.32Å; E104-F108 HydrophobicContact CB-CE2 4.02Å; E104-F108 VanDerWaalsContact O-CD2 3.28Å; E104-F108 WeakPolarHBondContact O-CD2 2.84Å; E104-F108 PolarHBondContact O-N 3.27Å; V105-F108 PolarHBondContact O-N 2.78Å; F108-K110 VanDerWaalsContact C-N 3.34Å; F108-K110 PolarHBondContact O-N 3.47Å; F108-E111 PolarHBondContact O-N 2.89Å; F108-I112 WeakPolarHBondContact O-CD1 3.36Å; F108-I112 WeakPolarHBondContact O-CG1 3.36Å; F108-I112 PolarHBondContact O-N 3.5Å
109H96.7Very high93.2Very high30 Ų3058.7 Ų58.714%0.13930%0.299CS..Hα-helixtrans-59.1-43.9175.7-179.7-84.4000112.2I92 V105 R107 S113 M123 L150I92-H109 HydrophobicContact CD1-CB 3.85Å; V105-H109 WeakPolarHBondContact O-CB 3.23Å; V105-H109 PolarHBondContact O-N 2.94Å; R107-H109 VanDerWaalsContact C-N 3.3Å; R107-H109 PolarHBondContact O-N 3.48Å; H109-S113 WeakPolarHBondContact O-CB 3.42Å; H109-S113 PolarHBondContact O-N 2.73Å; H109-S113 PolarHBondContact O-OG 3.36Å; H109-M123 VanDerWaalsContact CD2-SD 3.56Å; H109-L150 HydrophobicContact CB-CD1 4.29Å; H109-L150 HydrophobicContact CB-CD2 4.4Å
110K94.8Very high92.2Very high112 Ų11260 Ų6049%0.48731%0.309SS..Hα-helixtrans-66.2-40.5176.5-74.3169.3-174.4170.20112Q106 R107 F108 S113 R114Q106-K110 WeakPolarHBondContact O-CB 3.25Å; Q106-K110 VanDerWaalsContact O-CG 3.24Å; Q106-K110 WeakPolarHBondContact O-CG 3.3Å; Q106-K110 PolarHBondContact O-N 3.36Å; R107-K110 WeakPolarHBondContact O-CB 3.29Å; R107-K110 PolarHBondContact O-N 3.2Å; R107-K110 VanDerWaalsContact O-N 3.09Å; F108-K110 VanDerWaalsContact C-N 3.34Å; F108-K110 PolarHBondContact O-N 3.47Å; K110-S113 PolarHBondContact O-N 3.5Å; K110-R114 WeakPolarHBondContact O-CB 3.23Å; K110-R114 VanDerWaalsContact O-CG 3.22Å; K110-R114 WeakPolarHBondContact O-CG 3.44Å; K110-R114 PolarHBondContact O-N 2.87Å
111E94.4Very high91.9Very high21 Ų2156.8 Ų56.810%0.09829%0.293CS..Hα-helixtrans-59.9-47.3175.7-73.4174.6-166.900111.4R80 M84 R107 F108 R114 C115R80-E111 IonicContact CZ-OE2 2.96Å; R80-E111 IonicContact NE-OE2 2.62Å; R80-E111 PolarHBondContact NE-OE2 3.42Å; R80-E111 IonicContact NH2-OE1 3.29Å; R80-E111 IonicContact NH2-OE2 2.86Å; R80-E111 PolarHBondContact NH2-OE2 3.08Å; M84-E111 HydrophobicContact CE-CB 3.99Å; M84-E111 HydrophobicContact SD-CB 3.77Å; R107-E111 IonicContact CZ-OE1 3.2Å; R107-E111 IonicContact NE-OE1 2.65Å; R107-E111 IonicContact NH1-OE1 2.67Å; R107-E111 PolarHBondContact NH1-OE1 3.25Å; R107-E111 WeakPolarHBondContact O-CG 3.48Å; R107-E111 PolarHBondContact O-N 2.77Å; F108-E111 PolarHBondContact O-N 2.89Å; E111-R114 PolarHBondContact O-N 3.3Å; E111-C115 PolarHBondContact O-N 3.36Å; E111-C115 PolarHBondContact O-SG 3.31Å
112I95.3Very high91.8Very high0 Ų056.8 Ų56.80%029%0.293CS..Hα-helixtrans-60-49.9176.2-66.7160.2000110.4V21 M84 F90 I92 F108 R114 C115 K116 M123V21-I112 HydrophobicContact CG2-CD1 4.08Å; M84-I112 HydrophobicContact CE-CG1 3.82Å; M84-I112 HydrophobicContact CG-CG1 4.03Å; M84-I112 HydrophobicContact SD-CG1 3.87Å; F90-I112 HydrophobicContact CB-CD1 3.61Å; F90-I112 HydrophobicContact CB-CG1 4.4Å; F90-I112 HydrophobicContact CD1-CD1 4.08Å; F90-I112 HydrophobicContact CD1-CG1 4.06Å; F90-I112 HydrophobicContact CD1-CG2 4.47Å; F90-I112 HydrophobicContact CD2-CD1 4.41Å; F90-I112 HydrophobicContact CD2-CG1 4.42Å; F90-I112 HydrophobicContact CD2-CG2 3.43Å; F90-I112 VanDerWaalsContact CD2-CG2 3.43Å; F90-I112 HydrophobicContact CE2-CG2 3.66Å; F90-I112 HydrophobicContact CG-CD1 3.77Å; F90-I112 HydrophobicContact CG-CG1 4.02Å; F90-I112 HydrophobicContact CG-CG2 3.89Å; F90-I112 HydrophobicContact CZ-CG2 4.34Å; I92-I112 HydrophobicContact CD1-CD1 3.9Å; I92-I112 HydrophobicContact CG1-CD1 3.88Å; F108-I112 WeakPolarHBondContact O-CD1 3.36Å; F108-I112 WeakPolarHBondContact O-CG1 3.36Å; F108-I112 PolarHBondContact O-N 3.5Å; I112-R114 VanDerWaalsContact C-N 3.29Å; I112-R114 PolarHBondContact O-N 2.81Å; I112-C115 PolarHBondContact O-N 3.41Å; I112-C115 VanDerWaalsContact O-N 3.1Å; I112-K116 HydrophobicContact CG2-CG 4.31Å; I112-K116 WeakPolarHBondContact O-CG 3.41Å; I112-K116 PolarHBondContact O-N 2.99Å; I112-M123 HydrophobicContact CB-CE 4.49Å; I112-M123 HydrophobicContact CB-SD 4.17Å; I112-M123 HydrophobicContact CD1-SD 4.06Å; I112-M123 HydrophobicContact CG2-CE 3.82Å; I112-M123 HydrophobicContact CG2-CG 4.39Å; I112-M123 HydrophobicContact CG2-SD 3.79Å
113S93.8Very high91.8Very high37 Ų3755.9 Ų55.926%0.25929%0.289SS..Hα-helixtrans-58.5-41.6-178.9-59.20000111.8H109 K110 K116 D117H109-S113 WeakPolarHBondContact O-CB 3.42Å; H109-S113 PolarHBondContact O-N 2.73Å; H109-S113 PolarHBondContact O-OG 3.36Å; K110-S113 PolarHBondContact O-N 3.5Å; S113-K116 PolarHBondContact O-N 3.44Å; S113-D117 PolarHBondContact O-N 3.2Å
114R92.7Very high91.8Very high200 Ų20049.3 Ų49.376%0.75526%0.258SS*.Hα-helixtrans-64.2-42.5174.8-73.4170.9-179.5-175.10.9112.2K110 E111 I112 K116K110-R114 WeakPolarHBondContact O-CB 3.23Å; K110-R114 VanDerWaalsContact O-CG 3.22Å; K110-R114 WeakPolarHBondContact O-CG 3.44Å; K110-R114 PolarHBondContact O-N 2.87Å; E111-R114 PolarHBondContact O-N 3.3Å; I112-R114 VanDerWaalsContact C-N 3.29Å; I112-R114 PolarHBondContact O-N 2.81Å; R114-K116 VanDerWaalsContact C-N 3.29Å; R114-K116 PolarHBondContact O-N 2.77Å
115C92.8Very high91.9Very high28 Ų2847 Ų4719%0.18925%0.248CC..Hα-helixtrans-69.2-26.1179.7-71.10000113.4M84 R85 E111 I112M84-C115 HydrophobicContact CB-CB 3.73Å; R85-C115 HydrophobicContact CG-CB 4.14Å; E111-C115 PolarHBondContact O-N 3.36Å; E111-C115 PolarHBondContact O-SG 3.31Å; I112-C115 PolarHBondContact O-N 3.41Å; I112-C115 VanDerWaalsContact O-N 3.1Å
116K91.1Very high91.9Very high33 Ų3347 Ų4714%0.14325%0.247CC..Hα-helixtrans-94.5-17.3-176.7-68.3-56.1-169.9-176.10115.5M84 R85 G87 F90 I112 S113 R114 C118 Y121M84-K116 WeakPolarHBondContact O-CE 3.1Å; M84-K116 PolarHBondContact O-NZ 3.35Å; M84-K116 VanDerWaalsContact O-NZ 3.09Å; R85-K116 PolarHBondContact O-NZ 2.9Å; G87-K116 WeakPolarHBondContact O-CE 3.39Å; G87-K116 PolarHBondContact O-NZ 2.9Å; F90-K116 HydrophobicContact CE2-CD 4.49Å; F90-K116 VanDerWaalsContact CE2-CE 3.47Å; F90-K116 HydrophobicContact CE2-CG 4.26Å; I112-K116 HydrophobicContact CG2-CG 4.31Å; I112-K116 WeakPolarHBondContact O-CG 3.41Å; I112-K116 PolarHBondContact O-N 2.99Å; S113-K116 PolarHBondContact O-N 3.44Å; R114-K116 VanDerWaalsContact C-N 3.29Å; R114-K116 PolarHBondContact O-N 2.77Å; K116-C118 VanDerWaalsContact CB-SG 3.56Å; K116-C118 PolarHBondContact O-N 2.95Å; K116-C118 VanDerWaalsContact O-N 3.12Å; K116-Y121 HydrophobicContact CB-CD2 4.13Å; K116-Y121 HydrophobicContact CB-CE2 4.49Å; K116-Y121 HydrophobicContact CB-CG 4.2Å; K116-Y121 HydrophobicContact CD-CD1 4.18Å; K116-Y121 HydrophobicContact CD-CD2 4.2Å; K116-Y121 HydrophobicContact CD-CE1 3.88Å; K116-Y121 HydrophobicContact CD-CE2 3.81Å; K116-Y121 HydrophobicContact CD-CG 4.34Å; K116-Y121 WeakPolarHBondContact CE-OH 3.42Å; K116-Y121 HydrophobicContact CG-CD1 3.85Å; K116-Y121 HydrophobicContact CG-CD2 4.03Å; K116-Y121 HydrophobicContact CG-CE1 4.07Å; K116-Y121 HydrophobicContact CG-CE2 4.17Å; K116-Y121 HydrophobicContact CG-CG 3.83Å; K116-Y121 PolarHBondContact NZ-OH 2.91Å; K116-Y121 VanDerWaalsContact NZ-OH 3.1Å
117D82.5Confident91.9Very high157 Ų15743.8 Ų43.884%0.8423%0.232SC*.THydrogen-bonded Turntrans50.835.4177.9-161.925.9000113.1S113S113-D117 PolarHBondContact O-N 3.2Å
118C73.5Confident92Very high31 Ų3141.1 Ų41.121%0.20922%0.223CC..SBendtrans-139150.9-178.665.80000111.1K116 S120 Y121 C196K116-C118 VanDerWaalsContact CB-SG 3.56Å; K116-C118 PolarHBondContact O-N 2.95Å; K116-C118 VanDerWaalsContact O-N 3.12Å; C118-S120 PolarHBondContact O-N 3.37Å; C118-Y121 WeakPolarHBondContact SG-CD2 3.34Å; C118-C196 HydrophobicContact CB-CB 4.37Å
119G69.3Low92.1Very high74 Ų7443.8 Ų43.876%0.76323%0.234SC*.SBendtrans-67.8-33-174.700000115.1
120S78.6Confident92.2Very high71 Ų7143.9 Ų43.950%0.49724%0.235SC..  trans-143.1139.7175.6179.30000109.6C118C118-S120 PolarHBondContact O-N 3.37Å
121Y92.1Very high92.3Very high52 Ų5241.4 Ų41.420%0.20423%0.228CC..  trans-144.3154.2-178.2-153.1-98.5000109.5G87 Q88 F90 K116 C118 M123G87-Y121 WeakPolarHBondContact O-CE1 3.29Å; G87-Y121 PolarHBondContact O-OH 3.05Å; Q88-Y121 WeakPolarHBondContact O-CE1 3.35Å; F90-Y121 AromaticContact CD2-CD1 3.83Å; F90-Y121 HydrophobicContact CD2-CD1 3.83Å; F90-Y121 HydrophobicContact CD2-CE1 4.14Å; F90-Y121 AromaticContact CE2-CD1 3.51Å; F90-Y121 HydrophobicContact CE2-CD1 3.51Å; F90-Y121 AromaticContact CE2-CE1 3.48Å; F90-Y121 HydrophobicContact CE2-CE1 3.48Å; F90-Y121 VanDerWaalsContact CE2-CE1 3.48Å; F90-Y121 HydrophobicContact CZ-CE1 4.45Å; K116-Y121 HydrophobicContact CB-CD2 4.13Å; K116-Y121 HydrophobicContact CB-CE2 4.49Å; K116-Y121 HydrophobicContact CB-CG 4.2Å; K116-Y121 HydrophobicContact CD-CD1 4.18Å; K116-Y121 HydrophobicContact CD-CD2 4.2Å; K116-Y121 HydrophobicContact CD-CE1 3.88Å; K116-Y121 HydrophobicContact CD-CE2 3.81Å; K116-Y121 HydrophobicContact CD-CG 4.34Å; K116-Y121 WeakPolarHBondContact CE-OH 3.42Å; K116-Y121 HydrophobicContact CG-CD1 3.85Å; K116-Y121 HydrophobicContact CG-CD2 4.03Å; K116-Y121 HydrophobicContact CG-CE1 4.07Å; K116-Y121 HydrophobicContact CG-CE2 4.17Å; K116-Y121 HydrophobicContact CG-CG 3.83Å; K116-Y121 PolarHBondContact NZ-OH 2.91Å; K116-Y121 VanDerWaalsContact NZ-OH 3.1Å; C118-Y121 WeakPolarHBondContact SG-CD2 3.34Å; Y121-M123 PolarHBondContact O-N 3.19Å
122P96.7Very high92.5Very high2 Ų242.7 Ų42.71%0.01324%0.235CC..  trans-64.3112.9-173.5-25.840.7000110.7Q88 G89 F90 M173 I176 I177 L180Q88-P122 WeakPolarHBondContact O-CD 3.49Å; Q88-P122 WeakPolarHBondContact O-CG 3.4Å; G89-P122 CarbonylContact C-O 3.51Å; G89-P122 WeakPolarHBondContact CA-O 3.33Å; F90-P122 PolarHBondContact N-O 3.45Å; P122-M173 HydrophobicContact CB-SD 4.05Å; P122-I176 HydrophobicContact CB-CB 4.35Å; P122-I176 HydrophobicContact CB-CG2 3.65Å; P122-I176 HydrophobicContact CG-CG2 4.25Å; P122-I177 HydrophobicContact CB-CG1 3.86Å; P122-I177 HydrophobicContact CG-CG1 4.09Å; P122-L180 VanDerWaalsContact CD-CD1 3.48Å; P122-L180 HydrophobicContact CG-CD1 3.31Å; P122-L180 HydrophobicContact CG-CG 3.89Å
123M97.9Very high92.5Very high9 Ų946.3 Ų46.34%0.04426%0.26CS..EExtended strand (participates in β ladder)trans-137.7146.2-179.8-67.3-171.2-117.900109.4F90 I92 H109 I112 Y121 V152 P153F90-M123 HydrophobicContact CB-CG 4.16Å; F90-M123 HydrophobicContact CD2-CG 4.43Å; F90-M123 CarbonylContact O-C 3.59Å; F90-M123 WeakPolarHBondContact O-CA 3.33Å; I92-M123 HydrophobicContact CD1-SD 4.38Å; H109-M123 VanDerWaalsContact CD2-SD 3.56Å; I112-M123 HydrophobicContact CB-CE 4.49Å; I112-M123 HydrophobicContact CB-SD 4.17Å; I112-M123 HydrophobicContact CD1-SD 4.06Å; I112-M123 HydrophobicContact CG2-CE 3.82Å; I112-M123 HydrophobicContact CG2-CG 4.39Å; I112-M123 HydrophobicContact CG2-SD 3.79Å; Y121-M123 PolarHBondContact O-N 3.19Å; M123-V152 HydrophobicContact CB-CB 4.37Å; M123-V152 HydrophobicContact CB-CG1 3.62Å; M123-P153 VanDerWaalsContact O-CD 3.3Å; M123-P153 WeakPolarHBondContact O-CD 3.5Å
124I98.7Very high92.7Very high3 Ų353.4 Ų53.42%0.01529%0.289CS..EExtended strand (participates in β ladder)trans-130135.4168.4-69.6177.4000107.5F90 I92 P153 I155 D172 M173 I176F90-I124 PolarHBondContact O-N 3.31Å; I92-I124 PolarHBondContact N-O 2.98Å; I124-P153 HydrophobicContact CG1-CB 4.44Å; I124-I155 HydrophobicContact CG2-CG2 3.62Å; I124-D172 HydrophobicContact CD1-CB 3.96Å; I124-M173 HydrophobicContact CB-CE 3.89Å; I124-M173 HydrophobicContact CD1-CB 4.07Å; I124-M173 HydrophobicContact CD1-CE 3.93Å; I124-M173 HydrophobicContact CG1-CE 3.65Å; I124-I176 HydrophobicContact CD1-CD1 3.69Å; I124-I176 HydrophobicContact CG1-CD1 3.52Å
125L98.9Very high93Very high1 Ų149.5 Ų49.51%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-90.3116167.1-179.455.9000109.3I92 Y94 V105 L146 A147 V152 P153 Y154 I155I92-L125 HydrophobicContact CB-CD1 4.39Å; I92-L125 HydrophobicContact CG2-CD1 4.45Å; I92-L125 WeakPolarHBondContact O-CD1 3.22Å; Y94-L125 HydrophobicContact CD1-CD1 3.73Å; Y94-L125 HydrophobicContact CD1-CG 4.34Å; Y94-L125 HydrophobicContact CE1-CD1 4.03Å; Y94-L125 HydrophobicContact CE1-CD2 4.41Å; Y94-L125 HydrophobicContact CE1-CG 4.13Å; V105-L125 HydrophobicContact CB-CD1 4.38Å; V105-L125 HydrophobicContact CG1-CD1 3.53Å; V105-L125 HydrophobicContact CG1-CD2 4.23Å; V105-L125 HydrophobicContact CG2-CD1 3.85Å; L125-L146 HydrophobicContact CD2-CB 4.42Å; L125-L146 HydrophobicContact CD2-CD2 4.26Å; L125-L146 HydrophobicContact CD2-CG 4.26Å; L125-A147 HydrophobicContact CB-CB 4.44Å; L125-A147 HydrophobicContact CD2-CB 4.03Å; L125-V152 HydrophobicContact CB-CG2 3.89Å; L125-P153 PolarHBondContact N-O 2.81Å; L125-Y154 HydrophobicContact CB-CD2 4.49Å; L125-Y154 HydrophobicContact CD2-CD2 4.2Å; L125-Y154 HydrophobicContact CG-CD2 4.16Å; L125-Y154 WeakPolarHBondContact O-CA 3.47Å; L125-I155 PolarHBondContact O-N 3.29Å
126A98.9Very high93.2Very high0 Ų051.6 Ų51.60%028%0.283CS..EExtended strand (participates in β ladder)trans-107.6120.4179.600000111.1I91 I92 V93 Y94 I155 M169I91-A126 HydrophobicContact CG2-CB 3.85Å; I92-A126 PolarHBondContact O-N 3.25Å; V93-A126 WeakPolarHBondContact CA-O 3.43Å; V93-A126 HydrophobicContact CG2-CB 4.31Å; Y94-A126 WeakPolarHBondContact CD1-O 3.46Å; Y94-A126 PolarHBondContact N-O 2.84Å; A126-I155 CarbonylContact C-O 3.58Å; A126-I155 WeakPolarHBondContact CA-O 3.28Å; A126-I155 HydrophobicContact CB-CG2 4.14Å; A126-M169 HydrophobicContact CB-SD 3.54Å; A126-M169 VanDerWaalsContact CB-SD 3.54Å
127A98.9Very high93.6Very high0 Ų056.2 Ų56.20%031%0.305CS..EExtended strand (participates in β ladder)trans-94.9104.3173.900000109.5Y94 V96 Y154 I155 E156 T157Y94-A127 HydrophobicContact CD1-CB 4.35Å; Y94-A127 HydrophobicContact CE1-CB 3.48Å; Y94-A127 VanDerWaalsContact CE1-CB 3.48Å; Y94-A127 HydrophobicContact CE2-CB 4.16Å; Y94-A127 VanDerWaalsContact OH-CB 3.25Å; Y94-A127 WeakPolarHBondContact OH-CB 3.24Å; V96-A127 HydrophobicContact CG1-CB 3.81Å; A127-Y154 HydrophobicContact CB-CE2 3.71Å; A127-Y154 WeakPolarHBondContact CB-OH 3.37Å; A127-I155 PolarHBondContact N-O 3.43Å; A127-E156 HydrophobicContact CB-CG 4.3Å; A127-E156 CarbonylContact O-C 3.49Å; A127-E156 WeakPolarHBondContact O-CA 3.42Å; A127-T157 PolarHBondContact O-N 2.79Å
128N98.8Very high94.4Very high3 Ų348.9 Ų48.92%0.01627%0.266CS..EExtended strand (participates in β ladder)trans-96.4166.2-172.2-166.234.2000113.3V26 L31 V93 Y94 V96 T157V26-N128 PolarHBondContact O-ND2 3.34Å; L31-N128 HydrophobicContact CD1-CB 4.15Å; V93-N128 HydrophobicContact CG1-CB 3.77Å; Y94-N128 WeakPolarHBondContact O-CB 3.28Å; Y94-N128 PolarHBondContact O-N 2.87Å; V96-N128 WeakPolarHBondContact CG2-O 3.3Å; V96-N128 PolarHBondContact N-O 2.96Å; N128-T157 CarbonylContact C-O 3.59Å; N128-T157 WeakPolarHBondContact CA-O 3.3Å; N128-T157 WeakPolarHBondContact CA-OG1 3.48Å; N128-T157 PolarHBondContact OD1-O 3.36Å; N128-T157 PolarHBondContact OD1-OG1 3.35Å; N128-T157 VanDerWaalsContact OD1-OG1 3.14Å
129K98.1Very high95.5Very high56 Ų5649.4 Ų49.424%0.24327%0.27CS..  trans67.633178.5-45.9-166.1-164.1174.90114.3G25 V26 S95 V96 T97 D131 L132 T157G25-K129 VanDerWaalsContact O-CE 3.28Å; G25-K129 WeakPolarHBondContact O-CE 3.15Å; G25-K129 PolarHBondContact O-NZ 2.87Å; V26-K129 WeakPolarHBondContact O-CE 3.44Å; S95-K129 VanDerWaalsContact OG-CD 3.27Å; S95-K129 WeakPolarHBondContact OG-CD 3.42Å; V96-K129 WeakPolarHBondContact CG2-O 3.49Å; T97-K129 HydrophobicContact CG2-CB 4.47Å; K129-D131 WeakPolarHBondContact CA-OD1 3.49Å; K129-D131 PolarHBondContact O-N 3.42Å; K129-D131 VanDerWaalsContact O-N 3.17Å; K129-L132 HydrophobicContact CB-CD1 4.15Å; K129-L132 HydrophobicContact CB-CG 4.41Å; K129-L132 HydrophobicContact CD-CD1 4.12Å; K129-L132 WeakPolarHBondContact O-CB 3.46Å; K129-L132 PolarHBondContact O-N 3.09Å; K129-T157 PolarHBondContact N-O 2.81Å; K129-T157 VanDerWaalsContact N-O 3.14Å
130I98.6Very high96.9Very high31 Ų3149.8 Ų49.816%0.15925%0.252CS..THydrogen-bonded Turntrans-65.8-16.6179.670.4177.9000113.7V96 L132 E156 T157 V164V96-I130 HydrophobicContact CG1-CG2 4.02Å; V96-I130 HydrophobicContact CG2-CG2 4.42Å; I130-L132 PolarHBondContact O-N 3.07Å; I130-E156 HydrophobicContact CD1-CB 3.9Å; I130-E156 HydrophobicContact CG2-CB 3.88Å; I130-E156 HydrophobicContact CG2-CG 4.22Å; I130-T157 PolarHBondContact N-O 2.8Å; I130-V164 HydrophobicContact CD1-CB 4.11Å; I130-V164 HydrophobicContact CD1-CG1 3.82Å
131D97.8Very high97.9Very high61 Ų6153.9 Ų53.933%0.32626%0.263SS..THydrogen-bonded Turntrans-62.3-26.7170.658.7-72000112.3K129 S133 S158 K160K129-D131 WeakPolarHBondContact CA-OD1 3.49Å; K129-D131 PolarHBondContact O-N 3.42Å; K129-D131 VanDerWaalsContact O-N 3.17Å; D131-S133 PolarHBondContact O-N 3.4Å; D131-S158 WeakPolarHBondContact OD1-CB 3.37Å; D131-S158 PolarHBondContact OD1-OG 3.22Å; D131-K160 HydrophobicContact CB-CB 4.44Å; D131-K160 HydrophobicContact CB-CD 4.44Å; D131-K160 WeakPolarHBondContact OD2-CD 3.43Å
132L97.1Very high98.2Very high48 Ų4854.8 Ų54.825%0.25127%0.269SS..  trans-84.449176.2-56.3-178.8000111.6T97 K129 I130 Q134 Q135 R136T97-L132 HydrophobicContact CG2-CB 3.73Å; T97-L132 HydrophobicContact CG2-CD1 3.92Å; T97-L132 HydrophobicContact CG2-CG 4.46Å; K129-L132 HydrophobicContact CB-CD1 4.15Å; K129-L132 HydrophobicContact CB-CG 4.41Å; K129-L132 HydrophobicContact CD-CD1 4.12Å; K129-L132 WeakPolarHBondContact O-CB 3.46Å; K129-L132 PolarHBondContact O-N 3.09Å; I130-L132 PolarHBondContact O-N 3.07Å; L132-Q134 VanDerWaalsContact C-N 3.26Å; L132-Q134 PolarHBondContact O-N 3.36Å; L132-Q134 VanDerWaalsContact O-N 3.15Å; L132-Q135 HydrophobicContact CB-CB 4.24Å; L132-Q135 CarbonylContact O-C 3.59Å; L132-Q135 WeakPolarHBondContact O-CA 3.43Å; L132-Q135 PolarHBondContact O-N 2.95Å; L132-R136 PolarHBondContact O-N 3.33Å
133S96.2Very high98.3Very high75 Ų7554.7 Ų54.752%0.52427%0.269SS..G310 helixtrans-53-38.4-173.957.90000114.2D131 Q135 R136D131-S133 PolarHBondContact O-N 3.4Å; S133-Q135 VanDerWaalsContact C-N 3.25Å; S133-Q135 PolarHBondContact O-N 3.19Å; S133-R136 WeakPolarHBondContact O-CB 3.28Å; S133-R136 PolarHBondContact O-N 2.95Å
134Q97.6Very high98.4Very high186 Ų18658.6 Ų58.687%0.86929%0.286SS*.G310 helixtrans-71.5-17.7178.1-60.7-61.2-35.600113.8L132L132-Q134 VanDerWaalsContact C-N 3.26Å; L132-Q134 PolarHBondContact O-N 3.36Å; L132-Q134 VanDerWaalsContact O-N 3.15Å
135Q98.1Very high98.4Very high118 Ų11866.4 Ų66.455%0.55132%0.315SS*.G310 helixtrans-105.14.4178.4-56.4178.119.100111.8T97 L132 S133 Q137T97-Q135 WeakPolarHBondContact CA-O 3.35Å; T97-Q135 WeakPolarHBondContact CB-O 3.22Å; T97-Q135 HydrophobicContact CG2-CB 3.88Å; L132-Q135 HydrophobicContact CB-CB 4.24Å; L132-Q135 CarbonylContact O-C 3.59Å; L132-Q135 WeakPolarHBondContact O-CA 3.43Å; L132-Q135 PolarHBondContact O-N 2.95Å; S133-Q135 VanDerWaalsContact C-N 3.25Å; S133-Q135 PolarHBondContact O-N 3.19Å; Q135-Q137 PolarHBondContact O-N 3.19Å
136R98.7Very high98.4Very high73 Ų7367 Ų6728%0.27532%0.318SS..  trans-63125.9179.4177.9177.9-73.1-10914.7109.8V96 L132 S133 V138 E156V96-R136 HydrophobicContact CB-CG 4.19Å; V96-R136 HydrophobicContact CG2-CB 4.45Å; V96-R136 HydrophobicContact CG2-CG 4.33Å; L132-R136 PolarHBondContact O-N 3.33Å; S133-R136 WeakPolarHBondContact O-CB 3.28Å; S133-R136 PolarHBondContact O-N 2.95Å; R136-V138 WeakPolarHBondContact CD-O 3.42Å; R136-V138 WeakPolarHBondContact CG-O 3.35Å; R136-V138 PolarHBondContact NH1-O 2.79Å; R136-V138 VanDerWaalsContact NH1-O 3.07Å; R136-E156 IonicContact CZ-OE1 3.2Å; R136-E156 IonicContact NH1-OE1 2.76Å; R136-E156 PolarHBondContact NH1-OE1 3.08Å; R136-E156 VanDerWaalsContact NH2-CD 3.3Å; R136-E156 IonicContact NH2-OE1 2.73Å; R136-E156 PolarHBondContact NH2-OE1 3.06Å; R136-E156 IonicContact NH2-OE2 3.16Å; R136-E156 PolarHBondContact NH2-OE2 2.75Å; R136-E156 VanDerWaalsContact NH2-OE2 3.16Å
137Q98.7Very high98.3Very high130 Ų13067.1 Ų67.161%0.60732%0.319SS*.  trans-115.4-16.2175.2-60.5-169.665.600112.6V96 T97 P99 Q135V96-Q137 PolarHBondContact O-N 3.41Å; T97-Q137 PolarHBondContact O-NE2 3.4Å; P99-Q137 HydrophobicContact CG-CB 3.61Å; P99-Q137 HydrophobicContact CG-CG 4.43Å; Q135-Q137 PolarHBondContact O-N 3.19Å
138V98.7Very high98.3Very high3 Ų372.3 Ų72.32%0.01835%0.351CS..SBendtrans-116.4119.6174.5-175.20000109.5Y94 V96 P99 F102 R136 E142Y94-V138 HydrophobicContact CE2-CB 4.04Å; Y94-V138 HydrophobicContact CE2-CG1 3.8Å; Y94-V138 HydrophobicContact CE2-CG2 4.47Å; V96-V138 PolarHBondContact O-N 3.05Å; P99-V138 HydrophobicContact CB-CG2 4.46Å; P99-V138 HydrophobicContact CG-CG2 4.48Å; F102-V138 HydrophobicContact CB-CG1 4.44Å; F102-V138 HydrophobicContact CB-CG2 3.93Å; F102-V138 HydrophobicContact CD1-CG1 4.09Å; F102-V138 HydrophobicContact CD1-CG2 4.44Å; F102-V138 HydrophobicContact CD2-CG1 3.87Å; F102-V138 HydrophobicContact CE1-CG1 4.27Å; F102-V138 HydrophobicContact CE2-CG1 4.05Å; F102-V138 HydrophobicContact CG-CG1 3.87Å; F102-V138 HydrophobicContact CG-CG2 4.18Å; F102-V138 HydrophobicContact CZ-CG1 4.24Å; R136-V138 WeakPolarHBondContact CD-O 3.42Å; R136-V138 WeakPolarHBondContact CG-O 3.35Å; R136-V138 PolarHBondContact NH1-O 2.79Å; R136-V138 VanDerWaalsContact NH1-O 3.07Å; V138-E142 HydrophobicContact CG1-CB 4.04Å
139S98.5Very high98.3Very high42 Ų4279.8 Ų79.829%0.29438%0.38SS..  trans-70.8157.5179.867.10000112.2E141 E142 G143S139-E141 PolarHBondContact O-N 3.2Å; S139-E142 WeakPolarHBondContact CB-OE2 3.45Å; S139-E142 PolarHBondContact N-OE2 2.83Å; S139-E142 PolarHBondContact O-N 2.65Å; S139-E142 VanDerWaalsContact OG-CG 3.24Å; S139-E142 WeakPolarHBondContact OG-CG 3.43Å; S139-E142 PolarHBondContact OG-N 3.16Å; S139-E142 VanDerWaalsContact OG-N 3.15Å; S139-E142 PolarHBondContact OG-OE2 2.96Å; S139-G143 PolarHBondContact O-N 3.44Å; S139-G143 VanDerWaalsContact O-N 3.16Å
140E98.6Very high98.2Very high82 Ų8278 Ų7838%0.38337%0.373SS..Hα-helixtrans-61.4-34.1172.7-164.7-166.6-175.800111.2G143 K144 Y154 E156E140-G143 PolarHBondContact O-N 2.86Å; E140-K144 VanDerWaalsContact CD-CE 3.45Å; E140-K144 HydrophobicContact CG-CD 4.25Å; E140-K144 WeakPolarHBondContact O-CB 3.37Å; E140-K144 WeakPolarHBondContact O-CG 3.24Å; E140-K144 PolarHBondContact O-N 2.95Å; E140-K144 WeakPolarHBondContact OE1-CE 3.33Å; E140-K144 IonicContact OE1-NZ 3.05Å; E140-K144 PolarHBondContact OE1-NZ 2.62Å; E140-K144 IonicContact OE2-NZ 3.91Å; E140-K144 PolarHBondContact OE2-NZ 3.01Å; E140-Y154 HydrophobicContact CG-CE1 3.76Å; E140-E156 HydrophobicContact CG-CG 4.11Å
141E98.7Very high98.1Very high156 Ų15684.5 Ų84.573%0.72940%0.402SS*.Hα-helixtrans-63.7-44.6177.6-174.7177.4176.300111.9S139 G143 K144 R145S139-E141 PolarHBondContact O-N 3.2Å; E141-G143 VanDerWaalsContact C-N 3.34Å; E141-G143 PolarHBondContact O-N 2.67Å; E141-K144 PolarHBondContact O-N 2.97Å; E141-R145 VanDerWaalsContact O-CB 3.24Å; E141-R145 WeakPolarHBondContact O-CB 3.47Å; E141-R145 PolarHBondContact O-N 2.87Å
142E98.7Very high98Very high71 Ų7182.4 Ų82.433%0.33239%0.392SS..Hα-helixtrans-61.4-43.7174.6-73164.8117.200111.7F102 V138 S139 R145 L146F102-E142 HydrophobicContact CE1-CB 4.43Å; F102-E142 HydrophobicContact CZ-CB 4.1Å; V138-E142 HydrophobicContact CG1-CB 4.04Å; S139-E142 WeakPolarHBondContact CB-OE2 3.45Å; S139-E142 PolarHBondContact N-OE2 2.83Å; S139-E142 PolarHBondContact O-N 2.65Å; S139-E142 VanDerWaalsContact OG-CG 3.24Å; S139-E142 WeakPolarHBondContact OG-CG 3.43Å; S139-E142 PolarHBondContact OG-N 3.16Å; S139-E142 VanDerWaalsContact OG-N 3.15Å; S139-E142 PolarHBondContact OG-OE2 2.96Å; E142-R145 PolarHBondContact O-N 2.97Å; E142-L146 PolarHBondContact O-N 3.42Å
143G98.7Very high98.1Very high0 Ų083.4 Ų83.40%040%0.401CS..Hα-helixtrans-57.6-51.5174.800000112.9Y94 S139 E140 E141 R145 L146 A147 Y154Y94-G143 WeakPolarHBondContact OH-CA 3.22Å; S139-G143 PolarHBondContact O-N 3.44Å; S139-G143 VanDerWaalsContact O-N 3.16Å; E140-G143 PolarHBondContact O-N 2.86Å; E141-G143 VanDerWaalsContact C-N 3.34Å; E141-G143 PolarHBondContact O-N 2.67Å; G143-R145 PolarHBondContact O-N 2.92Å; G143-L146 PolarHBondContact O-N 3.38Å; G143-A147 WeakPolarHBondContact O-CB 3.5Å; G143-A147 PolarHBondContact O-N 2.89Å; G143-Y154 VanDerWaalsContact CA-CE2 3.47Å
144K98.8Very high98.2Very high92 Ų9281.9 Ų81.940%0.438%0.384SS..Hα-helixtrans-62.4-40177.3-75.2173.4178.5162.70112.5E140 E141 A147 T148 Y154E140-K144 VanDerWaalsContact CD-CE 3.45Å; E140-K144 HydrophobicContact CG-CD 4.25Å; E140-K144 WeakPolarHBondContact O-CB 3.37Å; E140-K144 WeakPolarHBondContact O-CG 3.24Å; E140-K144 PolarHBondContact O-N 2.95Å; E140-K144 WeakPolarHBondContact OE1-CE 3.33Å; E140-K144 IonicContact OE1-NZ 3.05Å; E140-K144 PolarHBondContact OE1-NZ 2.62Å; E140-K144 IonicContact OE2-NZ 3.91Å; E140-K144 PolarHBondContact OE2-NZ 3.01Å; E141-K144 PolarHBondContact O-N 2.97Å; K144-A147 PolarHBondContact O-N 3.32Å; K144-T148 WeakPolarHBondContact O-CB 3.35Å; K144-T148 PolarHBondContact O-N 2.88Å; K144-T148 PolarHBondContact O-OG1 3.25Å; K144-Y154 HydrophobicContact CG-CD1 3.62Å; K144-Y154 HydrophobicContact CG-CE1 3.96Å; K144-Y154 HydrophobicContact CG-CG 4.12Å
145R98.8Very high98.3Very high166 Ų16673.7 Ų73.763%0.62635%0.346SS*.Hα-helixtrans-63.1-45176.7-176.6177.962.3113.3-0.3111E141 E142 G143 T148 Y149E141-R145 VanDerWaalsContact O-CB 3.24Å; E141-R145 WeakPolarHBondContact O-CB 3.47Å; E141-R145 PolarHBondContact O-N 2.87Å; E142-R145 PolarHBondContact O-N 2.97Å; G143-R145 PolarHBondContact O-N 2.92Å; R145-T148 PolarHBondContact O-N 3.18Å; R145-Y149 PolarHBondContact O-N 3.14Å
146L98.6Very high98.3Very high15 Ų1569.6 Ų69.68%0.07933%0.327CS..Hα-helixtrans-65.1-43.8176.2-178.660.7000111.5F102 V105 Q106 L125 E142 G143 T148 Y149 L150F102-L146 HydrophobicContact CD2-CD2 3.94Å; F102-L146 HydrophobicContact CE1-CD2 4.36Å; F102-L146 HydrophobicContact CE2-CB 3.92Å; F102-L146 HydrophobicContact CE2-CD2 3.36Å; F102-L146 HydrophobicContact CE2-CG 4.27Å; F102-L146 HydrophobicContact CZ-CB 3.77Å; F102-L146 HydrophobicContact CZ-CD2 3.62Å; F102-L146 HydrophobicContact CZ-CG 4.3Å; V105-L146 HydrophobicContact CB-CD2 3.89Å; V105-L146 HydrophobicContact CG1-CD2 3.75Å; V105-L146 HydrophobicContact CG2-CD2 4.43Å; Q106-L146 HydrophobicContact CG-CD1 3.84Å; L125-L146 HydrophobicContact CD2-CB 4.42Å; L125-L146 HydrophobicContact CD2-CD2 4.26Å; L125-L146 HydrophobicContact CD2-CG 4.26Å; E142-L146 PolarHBondContact O-N 3.42Å; G143-L146 PolarHBondContact O-N 3.38Å; L146-T148 VanDerWaalsContact C-N 3.3Å; L146-T148 PolarHBondContact O-N 2.99Å; L146-Y149 HydrophobicContact CD1-CD1 4.16Å; L146-Y149 WeakPolarHBondContact O-CB 3.49Å; L146-Y149 PolarHBondContact O-N 2.81Å; L146-L150 HydrophobicContact CD1-CD1 3.96Å; L146-L150 HydrophobicContact CD1-CG 4.02Å; L146-L150 HydrophobicContact CD2-CD1 4.47Å; L146-L150 HydrophobicContact CG-CD1 3.9Å; L146-L150 HydrophobicContact CG-CG 4.32Å; L146-L150 WeakPolarHBondContact O-CB 3.46Å; L146-L150 WeakPolarHBondContact O-CG 3.34Å; L146-L150 PolarHBondContact O-N 3.02Å
147A98.6Very high98.3Very high2 Ų266.1 Ų66.12%0.01731%0.314CS..Hα-helixtrans-59.4-41.5176.800000112.2L125 G143 K144 L150 Q151 V152 Y154L125-A147 HydrophobicContact CB-CB 4.44Å; L125-A147 HydrophobicContact CD2-CB 4.03Å; G143-A147 WeakPolarHBondContact O-CB 3.5Å; G143-A147 PolarHBondContact O-N 2.89Å; K144-A147 PolarHBondContact O-N 3.32Å; A147-L150 CarbonylContact O-C 3.51Å; A147-L150 PolarHBondContact O-N 3.41Å; A147-Q151 PolarHBondContact O-N 2.91Å; A147-V152 CarbonylContact C-O 3.59Å; A147-V152 HydrophobicContact CB-CG2 4.33Å; A147-V152 WeakPolarHBondContact CB-O 3.31Å; A147-V152 PolarHBondContact O-N 2.85Å; A147-Y154 HydrophobicContact CB-CD2 4.19Å; A147-Y154 HydrophobicContact CB-CG 4.33Å
148T98.4Very high98.3Very high108 Ų10860 Ų6066%0.66329%0.286SS*.Hα-helixtrans-62.6-45.6174.8-57.40000111.2K144 R145 L146 L150 Q151K144-T148 WeakPolarHBondContact O-CB 3.35Å; K144-T148 PolarHBondContact O-N 2.88Å; K144-T148 PolarHBondContact O-OG1 3.25Å; R145-T148 PolarHBondContact O-N 3.18Å; L146-T148 VanDerWaalsContact C-N 3.3Å; L146-T148 PolarHBondContact O-N 2.99Å; T148-L150 VanDerWaalsContact C-N 3.31Å; T148-L150 PolarHBondContact O-N 2.99Å; T148-Q151 PolarHBondContact O-N 3.13Å; T148-Q151 VanDerWaalsContact O-N 3.16Å
149Y97.7Very high98.3Very high161 Ų16160 Ų6063%0.63129%0.286SS*.Hα-helixtrans-60.5-40.4176172.1-103.4000112.3R145 L146 Q151R145-Y149 PolarHBondContact O-N 3.14Å; L146-Y149 HydrophobicContact CD1-CD1 4.16Å; L146-Y149 WeakPolarHBondContact O-CB 3.49Å; L146-Y149 PolarHBondContact O-N 2.81Å; Y149-Q151 VanDerWaalsContact C-N 3.31Å
150L96.4Very high98.2Very high18 Ų1862.4 Ų62.49%0.09429%0.291CS..Hα-helixtrans-81.8-5.9178-63.7179.4000113.7V105 Q106 H109 L146 A147 T148 V152V105-L150 HydrophobicContact CG1-CD1 3.76Å; Q106-L150 HydrophobicContact CG-CD2 4.39Å; H109-L150 HydrophobicContact CB-CD1 4.29Å; H109-L150 HydrophobicContact CB-CD2 4.4Å; L146-L150 HydrophobicContact CD1-CD1 3.96Å; L146-L150 HydrophobicContact CD1-CG 4.02Å; L146-L150 HydrophobicContact CD2-CD1 4.47Å; L146-L150 HydrophobicContact CG-CD1 3.9Å; L146-L150 HydrophobicContact CG-CG 4.32Å; L146-L150 WeakPolarHBondContact O-CB 3.46Å; L146-L150 WeakPolarHBondContact O-CG 3.34Å; L146-L150 PolarHBondContact O-N 3.02Å; A147-L150 CarbonylContact O-C 3.51Å; A147-L150 PolarHBondContact O-N 3.41Å; T148-L150 VanDerWaalsContact C-N 3.31Å; T148-L150 PolarHBondContact O-N 2.99Å; L150-V152 VanDerWaalsContact C-N 3.32Å; L150-V152 HydrophobicContact CB-CG2 4.06Å; L150-V152 PolarHBondContact O-N 3.25Å
151Q96.1Very high97.8Very high167 Ų16764.4 Ų64.478%0.7830%0.304SS*.THydrogen-bonded Turntrans57.639.7-176.7-54.3-179-3.300113.8A147 T148 Y149A147-Q151 PolarHBondContact O-N 2.91Å; T148-Q151 PolarHBondContact O-N 3.13Å; T148-Q151 VanDerWaalsContact O-N 3.16Å; Y149-Q151 VanDerWaalsContact C-N 3.31Å
152V97.1Very high97.7Very high18 Ų1861.9 Ų61.911%0.10930%0.301CS..  trans-122.8151.3177.3-59.30000110.8M123 L125 A147 L150M123-V152 HydrophobicContact CB-CB 4.37Å; M123-V152 HydrophobicContact CB-CG1 3.62Å; L125-V152 HydrophobicContact CB-CG2 3.89Å; A147-V152 CarbonylContact C-O 3.59Å; A147-V152 HydrophobicContact CB-CG2 4.33Å; A147-V152 WeakPolarHBondContact CB-O 3.31Å; A147-V152 PolarHBondContact O-N 2.85Å; L150-V152 VanDerWaalsContact C-N 3.32Å; L150-V152 HydrophobicContact CB-CG2 4.06Å; L150-V152 PolarHBondContact O-N 3.25Å
153P98.4Very high97.6Very high68 Ų6860.8 Ų60.844%0.44230%0.301SS..  trans-61147.2169.7-23.135.7000112M123 I124 L125 I176M123-P153 VanDerWaalsContact O-CD 3.3Å; M123-P153 WeakPolarHBondContact O-CD 3.5Å; I124-P153 HydrophobicContact CG1-CB 4.44Å; L125-P153 PolarHBondContact N-O 2.81Å; P153-I176 HydrophobicContact CG-CD1 3.87Å
154Y98.8Very high97.6Very high43 Ų4363.4 Ų63.417%0.16932%0.317CS..EExtended strand (participates in β ladder)trans-109.6139.8175.2-179.5-102000110.6Y94 L125 A127 E140 G143 K144 A147 E156Y94-Y154 HydrophobicContact CE1-CE2 4.17Å; Y94-Y154 PolarHBondContact OH-OH 2.98Å; L125-Y154 HydrophobicContact CB-CD2 4.49Å; L125-Y154 HydrophobicContact CD2-CD2 4.2Å; L125-Y154 HydrophobicContact CG-CD2 4.16Å; L125-Y154 WeakPolarHBondContact O-CA 3.47Å; A127-Y154 HydrophobicContact CB-CE2 3.71Å; A127-Y154 WeakPolarHBondContact CB-OH 3.37Å; E140-Y154 HydrophobicContact CG-CE1 3.76Å; G143-Y154 VanDerWaalsContact CA-CE2 3.47Å; K144-Y154 HydrophobicContact CG-CD1 3.62Å; K144-Y154 HydrophobicContact CG-CE1 3.96Å; K144-Y154 HydrophobicContact CG-CG 4.12Å; A147-Y154 HydrophobicContact CB-CD2 4.19Å; A147-Y154 HydrophobicContact CB-CG 4.33Å; Y154-E156 HydrophobicContact CE1-CG 3.62Å; Y154-E156 PolarHBondContact OH-OE1 3.31Å
155I98.9Very high97.6Very high15 Ų1562.2 Ų62.28%0.07731%0.314CS..EExtended strand (participates in β ladder)trans-143.9133.2172.2-166164.8000111I124 L125 A126 A127 T157 N165 K168 M169I124-I155 HydrophobicContact CG2-CG2 3.62Å; L125-I155 PolarHBondContact O-N 3.29Å; A126-I155 CarbonylContact C-O 3.58Å; A126-I155 WeakPolarHBondContact CA-O 3.28Å; A126-I155 HydrophobicContact CB-CG2 4.14Å; A127-I155 PolarHBondContact N-O 3.43Å; I155-T157 HydrophobicContact CG1-CG2 4.43Å; I155-T157 HydrophobicContact CG2-CG2 4.16Å; I155-N165 HydrophobicContact CD1-CB 3.82Å; I155-N165 HydrophobicContact CG1-CB 3.93Å; I155-K168 HydrophobicContact CD1-CB 4.26Å; I155-K168 HydrophobicContact CD1-CD 4.12Å; I155-K168 HydrophobicContact CD1-CG 3.84Å; I155-M169 HydrophobicContact CD1-CB 4.14Å; I155-M169 HydrophobicContact CG2-CB 4.26Å; I155-M169 HydrophobicContact CG2-CG 4.01Å; I155-M169 HydrophobicContact CG2-SD 4.44Å
156E98.9Very high97.6Very high32 Ų3254.4 Ų54.415%0.1529%0.285CS..EExtended strand (participates in β ladder)trans-85.8133.7169.2-71.3-143.613600110.1A127 I130 R136 E140 Y154 N165A127-E156 HydrophobicContact CB-CG 4.3Å; A127-E156 CarbonylContact O-C 3.49Å; A127-E156 WeakPolarHBondContact O-CA 3.42Å; I130-E156 HydrophobicContact CD1-CB 3.9Å; I130-E156 HydrophobicContact CG2-CB 3.88Å; I130-E156 HydrophobicContact CG2-CG 4.22Å; R136-E156 IonicContact CZ-OE1 3.2Å; R136-E156 IonicContact NH1-OE1 2.76Å; R136-E156 PolarHBondContact NH1-OE1 3.08Å; R136-E156 VanDerWaalsContact NH2-CD 3.3Å; R136-E156 IonicContact NH2-OE1 2.73Å; R136-E156 PolarHBondContact NH2-OE1 3.06Å; R136-E156 IonicContact NH2-OE2 3.16Å; R136-E156 PolarHBondContact NH2-OE2 2.75Å; R136-E156 VanDerWaalsContact NH2-OE2 3.16Å; E140-E156 HydrophobicContact CG-CG 4.11Å; Y154-E156 HydrophobicContact CE1-CG 3.62Å; Y154-E156 PolarHBondContact OH-OE1 3.31Å; E156-N165 VanDerWaalsContact O-CB 3.22Å; E156-N165 WeakPolarHBondContact O-CB 3.41Å; E156-N165 PolarHBondContact O-ND2 3.47Å
157T98.9Very high97.6Very high0 Ų055.9 Ų55.90%029%0.293CS..  trans-131.8153.1-177.763.30000112.6A127 N128 K129 I130 I155 V164 N165 M169A127-T157 PolarHBondContact O-N 2.79Å; N128-T157 CarbonylContact C-O 3.59Å; N128-T157 WeakPolarHBondContact CA-O 3.3Å; N128-T157 WeakPolarHBondContact CA-OG1 3.48Å; N128-T157 PolarHBondContact OD1-O 3.36Å; N128-T157 PolarHBondContact OD1-OG1 3.35Å; N128-T157 VanDerWaalsContact OD1-OG1 3.14Å; K129-T157 PolarHBondContact N-O 2.81Å; K129-T157 VanDerWaalsContact N-O 3.14Å; I130-T157 PolarHBondContact N-O 2.8Å; I155-T157 HydrophobicContact CG1-CG2 4.43Å; I155-T157 HydrophobicContact CG2-CG2 4.16Å; T157-V164 VanDerWaalsContact CA-O 3.28Å; T157-V164 WeakPolarHBondContact CA-O 3.48Å; T157-N165 HydrophobicContact CG2-CB 4.2Å; T157-M169 HydrophobicContact CG2-CB 4.36Å; T157-M169 HydrophobicContact CG2-SD 3.94Å
158S98.5Very high97.6Very high1 Ų160.6 Ų60.61%0.00731%0.313CS..BIsolated β-bridgetrans-135.2129.7160.1178.80000109.3D131 K160 P163 V164 V166D131-S158 WeakPolarHBondContact OD1-CB 3.37Å; D131-S158 PolarHBondContact OD1-OG 3.22Å; S158-K160 VanDerWaalsContact C-N 3.33Å; S158-K160 WeakPolarHBondContact OG-CB 3.41Å; S158-K160 PolarHBondContact OG-N 3.37Å; S158-K160 VanDerWaalsContact OG-N 3.13Å; S158-P163 WeakPolarHBondContact O-CA 3.13Å; S158-V164 PolarHBondContact N-O 2.94Å; S158-V164 PolarHBondContact O-N 3.31Å; S158-V166 WeakPolarHBondContact O-CG2 3.38Å
159A97.7Very high97.6Very high2 Ų255.4 Ų55.42%0.01728%0.282CS..  trans-78.7-19.8170.600000112.5A30 L31 Q34 F40A30-A159 HydrophobicContact CB-CB 3.74Å; L31-A159 HydrophobicContact CD2-CB 4.03Å; L31-A159 HydrophobicContact CG-CB 4.31Å; Q34-A159 HydrophobicContact CB-CB 4.28Å; Q34-A159 WeakPolarHBondContact CG-O 3.5Å; Q34-A159 PolarHBondContact NE2-O 3.35Å; F40-A159 HydrophobicContact CD2-CB 3.9Å; F40-A159 HydrophobicContact CE2-CB 4.14Å
160K96.5Very high97.6Very high93 Ų9347.8 Ų47.840%0.40425%0.252SS..SBendtrans-67.1146.8-178.7-169.6171.7-174.8172.70109.9D131 S158 P162 P163D131-K160 HydrophobicContact CB-CB 4.44Å; D131-K160 HydrophobicContact CB-CD 4.44Å; D131-K160 WeakPolarHBondContact OD2-CD 3.43Å; S158-K160 VanDerWaalsContact C-N 3.33Å; S158-K160 WeakPolarHBondContact OG-CB 3.41Å; S158-K160 PolarHBondContact OG-N 3.37Å; S158-K160 VanDerWaalsContact OG-N 3.13Å; K160-P162 CarbonylContact O-C 3.54Å; K160-P163 VanDerWaalsContact O-CA 3.24Å; K160-P163 WeakPolarHBondContact O-CA 3.45Å; K160-P163 VanDerWaalsContact O-N 3.09Å
161D90.9Very high97.8Very high124 Ų12448.8 Ų48.866%0.66326%0.256SS*.SBendtrans-75.1130.9176.2-166.858.7000111.1P163D161-P163 WeakPolarHBondContact OD1-CD 3.47Å
162P96Very high97.9Very high103 Ų10342.5 Ų42.567%0.66923%0.227SC*.SBendcis-73.7133-3.930.5-34.4000112.8K160K160-P162 CarbonylContact O-C 3.54Å
163P97.8Very high97.9Very high49 Ų4941.6 Ų41.632%0.31822%0.222SC..PPolyproline II helixtrans-64.7142.6-177.325-32.7000111.7Q34 S158 K160 D161 V166Q34-P163 HydrophobicContact CG-CB 3.83Å; Q34-P163 HydrophobicContact CG-CG 4.39Å; S158-P163 WeakPolarHBondContact O-CA 3.13Å; K160-P163 VanDerWaalsContact O-CA 3.24Å; K160-P163 WeakPolarHBondContact O-CA 3.45Å; K160-P163 VanDerWaalsContact O-N 3.09Å; D161-P163 WeakPolarHBondContact OD1-CD 3.47Å; P163-V166 HydrophobicContact CB-CB 4.45Å; P163-V166 HydrophobicContact CB-CG2 3.85Å
164V98.7Very high97.9Very high55 Ų5538.4 Ų38.433%0.33320%0.201SC..BIsolated β-bridgetrans-114.3123.4175.9-176.30000109.2I130 T157 S158 V166I130-V164 HydrophobicContact CD1-CB 4.11Å; I130-V164 HydrophobicContact CD1-CG1 3.82Å; T157-V164 VanDerWaalsContact CA-O 3.28Å; T157-V164 WeakPolarHBondContact CA-O 3.48Å; S158-V164 PolarHBondContact N-O 2.94Å; S158-V164 PolarHBondContact O-N 3.31Å; V164-V166 PolarHBondContact O-N 2.86Å
165N98.7Very high97.9Very high66 Ų6639.9 Ų39.935%0.35321%0.207SC..SBendtrans57.511172.5-67.4-33.9000117I155 E156 T157 K168 M169I155-N165 HydrophobicContact CD1-CB 3.82Å; I155-N165 HydrophobicContact CG1-CB 3.93Å; E156-N165 VanDerWaalsContact O-CB 3.22Å; E156-N165 WeakPolarHBondContact O-CB 3.41Å; E156-N165 PolarHBondContact O-ND2 3.47Å; T157-N165 HydrophobicContact CG2-CB 4.2Å; N165-K168 HydrophobicContact CB-CB 4.42Å; N165-K168 PolarHBondContact O-N 3.41Å; N165-M169 WeakPolarHBondContact O-CB 3.47Å; N165-M169 PolarHBondContact O-N 3.14Å
166V98.6Very high97.8Very high2 Ų240.9 Ų40.91%0.01221%0.212CC..Hα-helixtrans-60-56.4-180-178.80000111.2L31 Q34 S158 P163 V164 K168 M169 F170L31-V166 HydrophobicContact CD2-CG2 3.84Å; L31-V166 WeakPolarHBondContact O-CG1 3.16Å; Q34-V166 HydrophobicContact CB-CG1 4.39Å; Q34-V166 HydrophobicContact CG-CG1 4.3Å; Q34-V166 HydrophobicContact CG-CG2 4.14Å; S158-V166 WeakPolarHBondContact O-CG2 3.38Å; P163-V166 HydrophobicContact CB-CB 4.45Å; P163-V166 HydrophobicContact CB-CG2 3.85Å; V164-V166 PolarHBondContact O-N 2.86Å; V166-K168 VanDerWaalsContact C-N 3.32Å; V166-K168 PolarHBondContact O-N 2.88Å; V166-M169 WeakPolarHBondContact O-CB 3.25Å; V166-M169 PolarHBondContact O-N 3.16Å; V166-F170 HydrophobicContact CG1-CD2 4.43Å; V166-F170 HydrophobicContact CG1-CE2 4.31Å; V166-F170 WeakPolarHBondContact O-CD2 3.46Å; V166-F170 PolarHBondContact O-N 2.91Å
167D98Very high97.6Very high47 Ų4740 Ų4025%0.25121%0.208SC..Hα-helixtrans-60-43.1175.9-67.1-112.8000112.2Y35 R38 M169 F170 H171Y35-D167 HydrophobicContact CD2-CB 4.42Å; Y35-D167 HydrophobicContact CE2-CB 4.26Å; R38-D167 IonicContact CZ-OD1 2.82Å; R38-D167 VanDerWaalsContact CZ-OD1 3.29Å; R38-D167 IonicContact CZ-OD2 3.15Å; R38-D167 IonicContact NH1-OD1 3.8Å; R38-D167 PolarHBondContact NH1-OD1 3.42Å; R38-D167 IonicContact NH1-OD2 3.75Å; R38-D167 PolarHBondContact NH1-OD2 3.08Å; R38-D167 IonicContact NH2-OD1 3.26Å; R38-D167 PolarHBondContact NH2-OD1 3.28Å; D167-M169 VanDerWaalsContact C-N 3.29Å; D167-M169 PolarHBondContact O-N 3.01Å; D167-F170 PolarHBondContact O-N 3.37Å; D167-H171 WeakPolarHBondContact O-CB 3.37Å; D167-H171 PolarHBondContact O-CD2 3.03Å; D167-H171 VanDerWaalsContact O-CD2 3.26Å; D167-H171 VanDerWaalsContact O-CG 3.23Å; D167-H171 PolarHBondContact O-N 2.87Å
168K98.6Very high97.4Very high100 Ų10043 Ų4344%0.43522%0.219SC..Hα-helixtrans-57.8-43.9179.6178.5170.3167.243.20111.2I155 N165 V166 H171 D172I155-K168 HydrophobicContact CD1-CB 4.26Å; I155-K168 HydrophobicContact CD1-CD 4.12Å; I155-K168 HydrophobicContact CD1-CG 3.84Å; N165-K168 HydrophobicContact CB-CB 4.42Å; N165-K168 PolarHBondContact O-N 3.41Å; V166-K168 VanDerWaalsContact C-N 3.32Å; V166-K168 PolarHBondContact O-N 2.88Å; K168-H171 PolarHBondContact O-N 3.49Å; K168-D172 WeakPolarHBondContact CG-OD2 3.01Å; K168-D172 IonicContact NZ-OD1 2.66Å; K168-D172 PolarHBondContact NZ-OD1 3.07Å; K168-D172 IonicContact NZ-OD2 2.77Å; K168-D172 PolarHBondContact NZ-OD2 3.39Å; K168-D172 VanDerWaalsContact O-CB 3.23Å; K168-D172 WeakPolarHBondContact O-CB 3.27Å; K168-D172 PolarHBondContact O-N 2.6Å
169M98.7Very high97.1Very high0 Ų050.5 Ų50.50%025%0.252CS..Hα-helixtrans-59.6-50.6178.5-179.7-175.564.700111.9L31 I91 A126 I155 T157 N165 V166 D167 M173L31-M169 HydrophobicContact CB-CE 4.33Å; L31-M169 HydrophobicContact CD1-CE 4.19Å; L31-M169 HydrophobicContact CD2-CE 4.47Å; I91-M169 HydrophobicContact CD1-CE 4.02Å; I91-M169 HydrophobicContact CD1-CG 3.97Å; I91-M169 HydrophobicContact CD1-SD 4.14Å; I91-M169 HydrophobicContact CG2-CE 4.3Å; I91-M169 HydrophobicContact CG2-CG 4.29Å; I91-M169 HydrophobicContact CG2-SD 3.53Å; I91-M169 VanDerWaalsContact CG2-SD 3.53Å; A126-M169 HydrophobicContact CB-SD 3.54Å; A126-M169 VanDerWaalsContact CB-SD 3.54Å; I155-M169 HydrophobicContact CD1-CB 4.14Å; I155-M169 HydrophobicContact CG2-CB 4.26Å; I155-M169 HydrophobicContact CG2-CG 4.01Å; I155-M169 HydrophobicContact CG2-SD 4.44Å; T157-M169 HydrophobicContact CG2-CB 4.36Å; T157-M169 HydrophobicContact CG2-SD 3.94Å; N165-M169 WeakPolarHBondContact O-CB 3.47Å; N165-M169 PolarHBondContact O-N 3.14Å; V166-M169 WeakPolarHBondContact O-CB 3.25Å; V166-M169 PolarHBondContact O-N 3.16Å; D167-M169 VanDerWaalsContact C-N 3.29Å; D167-M169 PolarHBondContact O-N 3.01Å; M169-M173 PolarHBondContact O-N 3.14Å
170F98.6Very high96.3Very high0 Ų053.7 Ų53.70%027%0.268CS..Hα-helixtrans-66.8-37.5179.3-75.8-72.1000112.2I18 V20 Y35 L65 V67 I91 V166 D167 M173 V174I18-F170 HydrophobicContact CD1-CD1 4.34Å; I18-F170 HydrophobicContact CG2-CE1 4.5Å; V20-F170 HydrophobicContact CG2-CE1 4.22Å; V20-F170 HydrophobicContact CG2-CZ 4.36Å; Y35-F170 HydrophobicContact CD1-CB 4.41Å; Y35-F170 AromaticContact CD1-CD2 3.8Å; Y35-F170 HydrophobicContact CD1-CD2 3.8Å; Y35-F170 HydrophobicContact CD1-CE2 4.18Å; Y35-F170 HydrophobicContact CD1-CG 4.01Å; Y35-F170 HydrophobicContact CD2-CB 4.19Å; Y35-F170 AromaticContact CD2-CD2 3.62Å; Y35-F170 HydrophobicContact CD2-CD2 3.62Å; Y35-F170 HydrophobicContact CD2-CE2 4.4Å; Y35-F170 HydrophobicContact CD2-CG 4.2Å; Y35-F170 HydrophobicContact CE1-CB 4.13Å; Y35-F170 HydrophobicContact CE1-CD2 4.37Å; Y35-F170 HydrophobicContact CE1-CG 4.18Å; Y35-F170 HydrophobicContact CE2-CB 3.9Å; Y35-F170 HydrophobicContact CE2-CD2 4.22Å; Y35-F170 HydrophobicContact CE2-CG 4.37Å; Y35-F170 HydrophobicContact CG-CB 4.44Å; Y35-F170 AromaticContact CG-CD2 3.38Å; Y35-F170 HydrophobicContact CG-CD2 3.38Å; Y35-F170 AromaticContact CG-CE2 3.79Å; Y35-F170 HydrophobicContact CG-CE2 3.79Å; Y35-F170 HydrophobicContact CG-CG 4.02Å; L65-F170 HydrophobicContact CD2-CB 4.23Å; V67-F170 HydrophobicContact CB-CE1 4.42Å; V67-F170 HydrophobicContact CG1-CE1 3.75Å; V67-F170 HydrophobicContact CG1-CZ 4.26Å; V67-F170 HydrophobicContact CG2-CD1 3.96Å; V67-F170 HydrophobicContact CG2-CE1 3.73Å; I91-F170 HydrophobicContact CD1-CD1 3.8Å; I91-F170 HydrophobicContact CD1-CE1 3.68Å; I91-F170 HydrophobicContact CD1-CZ 4.33Å; V166-F170 HydrophobicContact CG1-CD2 4.43Å; V166-F170 HydrophobicContact CG1-CE2 4.31Å; V166-F170 WeakPolarHBondContact O-CD2 3.46Å; V166-F170 PolarHBondContact O-N 2.91Å; D167-F170 PolarHBondContact O-N 3.37Å; F170-M173 WeakPolarHBondContact O-CB 3.44Å; F170-M173 PolarHBondContact O-N 3.37Å; F170-V174 PolarHBondContact O-N 3.09Å
171H98.5Very high95.1Very high39 Ų3953.5 Ų53.518%0.18128%0.277CS..Hα-helixtrans-71.3-41178.8-68.1-165.7000111.9Y35 I58 D167 K168 M173 V174 R175Y35-H171 AromaticContact CE2-NE2 3.76Å; Y35-H171 AromaticContact CZ-NE2 3.83Å; Y35-H171 PolarHBondContact OH-CD2 2.72Å; Y35-H171 VanDerWaalsContact OH-CD2 3.31Å; Y35-H171 PolarHBondContact OH-NE2 3.08Å; I58-H171 HydrophobicContact CD1-CB 4.25Å; I58-H171 HydrophobicContact CG1-CB 4.36Å; I58-H171 HydrophobicContact CG2-CB 4.16Å; D167-H171 WeakPolarHBondContact O-CB 3.37Å; D167-H171 PolarHBondContact O-CD2 3.03Å; D167-H171 VanDerWaalsContact O-CD2 3.26Å; D167-H171 VanDerWaalsContact O-CG 3.23Å; D167-H171 PolarHBondContact O-N 2.87Å; K168-H171 PolarHBondContact O-N 3.49Å; H171-M173 VanDerWaalsContact C-N 3.27Å; H171-M173 PolarHBondContact O-N 3.17Å; H171-V174 WeakPolarHBondContact O-CB 3.36Å; H171-V174 PolarHBondContact O-N 3.31Å; H171-R175 WeakPolarHBondContact O-CG 3.24Å; H171-R175 PolarHBondContact O-N 2.66Å
172D98.6Very high93.7Very high35 Ų3552.7 Ų52.719%0.18728%0.278CS..Hα-helixtrans-62.2-37.1174.3-74.3-11.8000111.3I124 K168 V174 R175 I176I124-D172 HydrophobicContact CD1-CB 3.96Å; K168-D172 WeakPolarHBondContact CG-OD2 3.01Å; K168-D172 IonicContact NZ-OD1 2.66Å; K168-D172 PolarHBondContact NZ-OD1 3.07Å; K168-D172 IonicContact NZ-OD2 2.77Å; K168-D172 PolarHBondContact NZ-OD2 3.39Å; K168-D172 VanDerWaalsContact O-CB 3.23Å; K168-D172 WeakPolarHBondContact O-CB 3.27Å; K168-D172 PolarHBondContact O-N 2.6Å; D172-V174 VanDerWaalsContact C-N 3.34Å; D172-V174 PolarHBondContact O-N 3.26Å; D172-R175 WeakPolarHBondContact O-CB 3.2Å; D172-R175 PolarHBondContact O-N 3.05Å; D172-R175 IonicContact OD1-CZ 3.39Å; D172-R175 IonicContact OD1-NH1 2.74Å; D172-R175 PolarHBondContact OD1-NH1 2.76Å; D172-I176 VanDerWaalsContact O-CG1 3.27Å; D172-I176 WeakPolarHBondContact O-CG1 3.41Å; D172-I176 PolarHBondContact O-N 3.37Å
173M98.4Very high91.8Very high0 Ų053.2 Ų53.20%028%0.281CS..Hα-helixtrans-58.7-46.4173.6-179.252.968.300111.5I18 G89 F90 I91 P122 I124 M169 F170 H171 R175 I176 I177I18-M173 HydrophobicContact CD1-CB 4.04Å; I18-M173 HydrophobicContact CD1-CG 3.68Å; I18-M173 HydrophobicContact CG1-CG 3.74Å; I18-M173 HydrophobicContact CG2-CG 4.03Å; G89-M173 VanDerWaalsContact CA-SD 3.59Å; F90-M173 VanDerWaalsContact C-CE 3.49Å; F90-M173 WeakPolarHBondContact O-CE 3.24Å; I91-M173 HydrophobicContact CG1-CE 3.78Å; P122-M173 HydrophobicContact CB-SD 4.05Å; I124-M173 HydrophobicContact CB-CE 3.89Å; I124-M173 HydrophobicContact CD1-CB 4.07Å; I124-M173 HydrophobicContact CD1-CE 3.93Å; I124-M173 HydrophobicContact CG1-CE 3.65Å; M169-M173 PolarHBondContact O-N 3.14Å; F170-M173 WeakPolarHBondContact O-CB 3.44Å; F170-M173 PolarHBondContact O-N 3.37Å; H171-M173 VanDerWaalsContact C-N 3.27Å; H171-M173 PolarHBondContact O-N 3.17Å; M173-R175 VanDerWaalsContact C-N 3.31Å; M173-R175 PolarHBondContact O-N 3.16Å; M173-I176 PolarHBondContact O-N 3.34Å; M173-I177 HydrophobicContact CG-CD1 3.98Å; M173-I177 VanDerWaalsContact O-CG1 3.31Å; M173-I177 WeakPolarHBondContact O-CG1 3.47Å; M173-I177 PolarHBondContact O-N 3.44Å; M173-I177 HydrophobicContact SD-CD1 4.2Å; M173-I177 HydrophobicContact SD-CG1 4.19Å
174V98Very high89.3Confident0 Ų057.5 Ų57.50%030%0.297CS..Hα-helixtrans-59.4-42.8175.6172.20000111.3Y16 I18 I58 L65 F170 H171 D172 I176 I177 R178Y16-V174 HydrophobicContact CD2-CB 4.42Å; Y16-V174 HydrophobicContact CD2-CG1 3.61Å; Y16-V174 HydrophobicContact CD2-CG2 4.02Å; Y16-V174 HydrophobicContact CE2-CG1 3.5Å; Y16-V174 HydrophobicContact CG-CG1 4.25Å; Y16-V174 HydrophobicContact CG-CG2 4.3Å; I18-V174 HydrophobicContact CD1-CG2 4.18Å; I58-V174 HydrophobicContact CD1-CB 3.78Å; I58-V174 HydrophobicContact CD1-CG1 3.94Å; I58-V174 HydrophobicContact CD1-CG2 3.68Å; L65-V174 HydrophobicContact CD1-CG2 3.96Å; L65-V174 HydrophobicContact CD2-CG2 4.08Å; L65-V174 HydrophobicContact CG-CG2 3.96Å; F170-V174 PolarHBondContact O-N 3.09Å; H171-V174 WeakPolarHBondContact O-CB 3.36Å; H171-V174 PolarHBondContact O-N 3.31Å; D172-V174 VanDerWaalsContact C-N 3.34Å; D172-V174 PolarHBondContact O-N 3.26Å; V174-I176 VanDerWaalsContact C-N 3.33Å; V174-I176 PolarHBondContact O-N 3.49Å; V174-I177 PolarHBondContact O-N 3.04Å; V174-R178 HydrophobicContact CG1-CG 4.41Å; V174-R178 WeakPolarHBondContact O-CG 3.36Å; V174-R178 PolarHBondContact O-N 3.33Å
175R97.6Very high86.5Confident75 Ų7563 Ų6328%0.28332%0.324SS..Hα-helixtrans-60.8-39.5176-67.5174.9-176.6117.13.8112.6I58 D59 H171 D172 M173 K179I58-R175 HydrophobicContact CG2-CG 4.42Å; D59-R175 IonicContact OD1-CZ 3.29Å; D59-R175 IonicContact OD1-NE 2.95Å; D59-R175 PolarHBondContact OD1-NE 3.41Å; D59-R175 VanDerWaalsContact OD1-NE 3.15Å; D59-R175 IonicContact OD1-NH2 2.77Å; D59-R175 PolarHBondContact OD1-NH2 3.25Å; D59-R175 WeakPolarHBondContact OD2-CD 3.18Å; D59-R175 VanDerWaalsContact OD2-CG 3.28Å; D59-R175 WeakPolarHBondContact OD2-CG 3.32Å; D59-R175 IonicContact OD2-CZ 3.2Å; D59-R175 IonicContact OD2-NE 3.12Å; D59-R175 PolarHBondContact OD2-NE 2.73Å; D59-R175 IonicContact OD2-NH2 3.12Å; H171-R175 WeakPolarHBondContact O-CG 3.24Å; H171-R175 PolarHBondContact O-N 2.66Å; D172-R175 WeakPolarHBondContact O-CB 3.2Å; D172-R175 PolarHBondContact O-N 3.05Å; D172-R175 IonicContact OD1-CZ 3.39Å; D172-R175 IonicContact OD1-NH1 2.74Å; D172-R175 PolarHBondContact OD1-NH1 2.76Å; M173-R175 VanDerWaalsContact C-N 3.31Å; M173-R175 PolarHBondContact O-N 3.16Å; R175-K179 WeakPolarHBondContact O-CG 3.49Å; R175-K179 PolarHBondContact O-N 3.37Å
176I96.7Very high83.6Confident36 Ų3666.6 Ų66.619%0.18534%0.341CS..Hα-helixtrans-68.2-43.7177-61162.1000110P122 I124 P153 D172 M173 V174 R178 K179P122-I176 HydrophobicContact CB-CB 4.35Å; P122-I176 HydrophobicContact CB-CG2 3.65Å; P122-I176 HydrophobicContact CG-CG2 4.25Å; I124-I176 HydrophobicContact CD1-CD1 3.69Å; I124-I176 HydrophobicContact CG1-CD1 3.52Å; P153-I176 HydrophobicContact CG-CD1 3.87Å; D172-I176 VanDerWaalsContact O-CG1 3.27Å; D172-I176 WeakPolarHBondContact O-CG1 3.41Å; D172-I176 PolarHBondContact O-N 3.37Å; M173-I176 PolarHBondContact O-N 3.34Å; V174-I176 VanDerWaalsContact C-N 3.33Å; V174-I176 PolarHBondContact O-N 3.49Å; I176-R178 VanDerWaalsContact C-N 3.31Å; I176-R178 PolarHBondContact O-N 3.35Å; I176-K179 WeakPolarHBondContact O-CB 3.41Å; I176-K179 PolarHBondContact O-N 3.07Å; I176-K179 VanDerWaalsContact O-N 3.15Å
177I95.9Very high80.7Confident14 Ų1471.2 Ų71.27%0.07237%0.374CS..Hα-helixtrans-59.5-42.5176.9-64.2165.2000110.8Y16 I18 Q88 P122 M173 V174 K179 L180Y16-I177 HydrophobicContact CD1-CB 4.29Å; Y16-I177 HydrophobicContact CD1-CG2 3.67Å; Y16-I177 HydrophobicContact CE1-CG2 3.97Å; I18-I177 HydrophobicContact CG1-CD1 4.12Å; Q88-I177 HydrophobicContact CB-CD1 4.13Å; Q88-I177 HydrophobicContact CB-CG1 4.5Å; Q88-I177 HydrophobicContact CB-CG2 4.2Å; P122-I177 HydrophobicContact CB-CG1 3.86Å; P122-I177 HydrophobicContact CG-CG1 4.09Å; M173-I177 HydrophobicContact CG-CD1 3.98Å; M173-I177 VanDerWaalsContact O-CG1 3.31Å; M173-I177 WeakPolarHBondContact O-CG1 3.47Å; M173-I177 PolarHBondContact O-N 3.44Å; M173-I177 HydrophobicContact SD-CD1 4.2Å; M173-I177 HydrophobicContact SD-CG1 4.19Å; V174-I177 PolarHBondContact O-N 3.04Å; I177-K179 PolarHBondContact O-N 2.66Å; I177-L180 WeakPolarHBondContact O-CB 3.34Å; I177-L180 PolarHBondContact O-N 3.15Å
178R94.7Very high78Confident61 Ų6179.3 Ų79.323%0.2341%0.407CS..Hα-helixtrans-61.6-23.1178.2-77175.4176.3168.7-4.6114.3Y16 I58 E61 V174 I176 L180Y16-R178 HydrophobicContact CE1-CG 4.21Å; Y16-R178 VanDerWaalsContact OH-CG 3.27Å; Y16-R178 WeakPolarHBondContact OH-CG 3.49Å; Y16-R178 PolarHBondContact OH-NE 2.79Å; I58-R178 PolarHBondContact O-NH1 3.49Å; E61-R178 VanDerWaalsContact CB-NH2 3.28Å; E61-R178 PolarHBondContact O-NH2 3.17Å; E61-R178 IonicContact OE2-CZ 3.85Å; E61-R178 IonicContact OE2-NE 3.83Å; E61-R178 PolarHBondContact OE2-NE 3.42Å; E61-R178 IonicContact OE2-NH1 3.5Å; E61-R178 IonicContact OE2-NH2 2.73Å; E61-R178 PolarHBondContact OE2-NH2 3.39Å; V174-R178 HydrophobicContact CG1-CG 4.41Å; V174-R178 WeakPolarHBondContact O-CG 3.36Å; V174-R178 PolarHBondContact O-N 3.33Å; I176-R178 VanDerWaalsContact C-N 3.31Å; I176-R178 PolarHBondContact O-N 3.35Å; R178-L180 VanDerWaalsContact C-N 3.27Å
179K91.3Very high75.1Confident160 Ų16077.6 Ų77.670%0.69642%0.418SS*.THydrogen-bonded Turntrans-76.4-16.1176.5-69.2174-176.5-177.90112.9R175 I176 I177R175-K179 WeakPolarHBondContact O-CG 3.49Å; R175-K179 PolarHBondContact O-N 3.37Å; I176-K179 WeakPolarHBondContact O-CB 3.41Å; I176-K179 PolarHBondContact O-N 3.07Å; I176-K179 VanDerWaalsContact O-N 3.15Å; I177-K179 PolarHBondContact O-N 2.66Å
180L82.5Confident72.3Confident68 Ų6884 Ų8436%0.35645%0.451SS..SBendtrans-78142.5176.6-66.4-170.1000111.1P122 I177 R178P122-L180 VanDerWaalsContact CD-CD1 3.48Å; P122-L180 HydrophobicContact CG-CD1 3.31Å; P122-L180 HydrophobicContact CG-CG 3.89Å; I177-L180 WeakPolarHBondContact O-CB 3.34Å; I177-L180 PolarHBondContact O-N 3.15Å; R178-L180 VanDerWaalsContact C-N 3.27Å
181P69.6Low69.5Low90 Ų9096.2 Ų96.258%0.58450%0.498SS*.PPolyproline II helixtrans-57.8140.3167.915.7-17.9000108.9
182P62.4Low66.6Low106 Ų106102.7 Ų102.769%0.68853%0.526SS*.PPolyproline II helixtrans-53.7143.6174.621.4-30.8000108.8Q184P182-Q184 PolarHBondContact O-N 2.82Å
183P56.1Low63.8Low114 Ų114111 Ų11174%0.7456%0.56SS**PPolyproline II helixtrans-51.5116.4178.1-12.116.7000108L185P183-L185 PolarHBondContact O-N 3.03Å
184Q45Very low61.1Low139 Ų139116.1 Ų116.165%0.6559%0.591SS**  trans-58.3114.4174.7-69-178.31.200105.7P182 I186P182-Q184 PolarHBondContact O-N 2.82Å; Q184-I186 VanDerWaalsContact C-N 3.27Å; Q184-I186 PolarHBondContact O-N 3.15Å
185L40.7Very low58.2Low171 Ų171127.3 Ų127.390%0.89563%0.633SS**  trans-57.9101.7170.1-71.7170.7000105.2P183 S187P183-L185 PolarHBondContact O-N 3.03Å; L185-S187 VanDerWaalsContact C-N 3.26Å; L185-S187 PolarHBondContact O-N 2.87Å
186I37.9Very low55.5Low141 Ų141127.3 Ų127.372%0.72364%0.644SS**  trans-62.599.2174.7-59.6174.1000104.7Q184 K188Q184-I186 VanDerWaalsContact C-N 3.27Å; Q184-I186 PolarHBondContact O-N 3.15Å; I186-K188 PolarHBondContact O-N 3.32Å
187S37.5Very low52.6Low99 Ų99132.5 Ų132.569%0.69267%0.671SS**  trans-54.4116.716353.70000105.3L185 G189L185-S187 VanDerWaalsContact C-N 3.26Å; L185-S187 PolarHBondContact O-N 2.87Å; S187-G189 VanDerWaalsContact C-N 3.29Å; S187-G189 PolarHBondContact O-N 3.21Å
188K40.1Very low49.6Very low218 Ų218139 Ų13995%0.94871%0.705SS**THydrogen-bonded Turntrans-50.895.1177.8-73.4-179.6174.81780108.4I186I186-K188 PolarHBondContact O-N 3.32Å
189G38.7Very low46.9Very low64 Ų64146.7 Ų146.766%0.6675%0.75SS**THydrogen-bonded Turntrans-173.3-55.3-170.100000113.1S187S187-G189 VanDerWaalsContact C-N 3.29Å; S187-G189 PolarHBondContact O-N 3.21Å
190D39.9Very low44.7Very low133 Ų133146.1 Ų146.171%0.71175%0.753SS**  trans-125.599.4-170.2-85.5-47000113.3K192D190-K192 PolarHBondContact O-N 3.3Å
191R39Very low42.7Very low257 Ų257150.2 Ų150.297%0.9777%0.773SS**  trans-71.575161.6-73-177.4178.6179.5-0.2109.3
192K38.9Very low41.2Very low176 Ų176153.5 Ų153.577%0.76578%0.784SS**  trans-120.5112.9159.6-78.1-173.7179.2174.20109D190 V194D190-K192 PolarHBondContact O-N 3.3Å; K192-V194 PolarHBondContact O-N 2.98Å
193K38.2Very low39.9Very low209 Ų209156.3 Ų156.391%0.90979%0.79SS**  trans-37.399.5-179.5-71.2175.4172.2-179.70111.5R195K193-R195 PolarHBondContact O-N 2.86Å; K193-R195 VanDerWaalsContact O-N 3.12Å
194V42.9Very low38.9Very low108 Ų108158.9 Ų158.966%0.65579%0.793SS**  trans-75.3102171.7-177.30000106.6K192 C196K192-V194 PolarHBondContact O-N 2.98Å; V194-C196 PolarHBondContact O-N 2.78Å
195R37.2Very low38.5Very low235 Ų235160.3 Ų160.389%0.88780%0.802SS**PPolyproline II helixtrans-62.5120.8169.5-89177.6158177.4-6.9107.9K193K193-R195 PolarHBondContact O-N 2.86Å; K193-R195 VanDerWaalsContact O-N 3.12Å
196C39.4Very low38.4Very low74 Ų74159.5 Ų159.550%0.580%0.795SS.*PPolyproline II helixtrans-57.4137.2175.1-152.50000110C118 V194 L198C118-C196 HydrophobicContact CB-CB 4.37Å; V194-C196 PolarHBondContact O-N 2.78Å; C196-L198 PolarHBondContact O-N 3.38Å
197L37.8Very low38.4Very low145 Ų145160.9 Ų160.976%0.75980%0.801SS**PPolyproline II helixtrans-69.9118.2-177.7-140.586.6000108.9
198L32Very low38.5Very low150 Ų150166.1 Ų166.179%0.78581%0.81SS**PPolyproline II helixtrans-77.8124.4168.1-75.8154.4000107.8C196C196-L198 PolarHBondContact O-N 3.38Å
199L37.6Very low38.3Very low224 Ų224161.4 Ų161.4100%1.17380%0.798SS**  trans-91.50157.9-72174.5000108.7

Retrieved 199 of 199 residues in 51.1 ms (Link to these results)

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