A0A060WZG0_ONCMY Loading...

Sorting nexin 12

AlphaFold DB , UniProt , Accession A0A060WZG0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 162 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
1M44.9Very low65.4Low249 Ų249152.6 Ų152.6100%1.22782%0.819SS**  0109.60-78.5158.515800106.4
2S56.6Low67.1Low118 Ų118153.6 Ų153.683%0.82582%0.822SS**PPolyproline II helixtrans-86.6122.6-17937.80000109.4
3D54.6Low68.3Low153 Ų153154.9 Ų154.982%0.81883%0.829SS**PPolyproline II helixtrans-61.8132.5174.2-84.6-42.4000110.3T5D3-T5 PolarHBondContact O-N 3.21Å
4P56.9Low69.4Low107 Ų107151.5 Ų151.570%0.69582%0.823SS**PPolyproline II helixtrans-69.7119.7175.827.8-31.2000109.3V6P4-V6 PolarHBondContact O-N 3.3Å
5T64.3Low70.4Confident142 Ų142154.9 Ų154.987%0.87183%0.827SS**  trans-67.692.7171440000109.3D3 A7D3-T5 PolarHBondContact O-N 3.21Å; T5-A7 PolarHBondContact O-N 2.73Å; T5-A7 VanDerWaalsContact O-N 3.16Å
6V64.9Low71.2Confident132 Ų132152.8 Ų152.880%0.883%0.825SS**  trans-64.9114.2172.1-179.90000107.8P4 D8P4-V6 PolarHBondContact O-N 3.3Å; V6-D8 PolarHBondContact O-N 3.09Å
7A66.5Low71.9Confident74 Ų74151.5 Ų151.561%0.61281%0.812SS**  trans-61120.9173.200000109.1T5 T9T5-A7 PolarHBondContact O-N 2.73Å; T5-A7 VanDerWaalsContact O-N 3.16Å; A7-T9 VanDerWaalsContact C-N 3.29Å; A7-T9 HydrophobicContact CB-CG2 4.33Å; A7-T9 PolarHBondContact O-N 2.9Å
8D70.4Confident72.7Confident128 Ų128148.3 Ų148.368%0.68480%0.795SS**  trans-7384.5178.3-165.65.4000109.6V6 R10V6-D8 PolarHBondContact O-N 3.09Å; D8-R10 VanDerWaalsContact C-N 3.26Å; D8-R10 WeakPolarHBondContact OD1-CB 3.5Å
9T78.6Confident73.2Confident127 Ų127147.2 Ų147.278%0.77979%0.788SS**  trans-8912.2178.155.60000112.5A7 R11A7-T9 VanDerWaalsContact C-N 3.29Å; A7-T9 HydrophobicContact CB-CG2 4.33Å; A7-T9 PolarHBondContact O-N 2.9Å; T9-R11 PolarHBondContact O-N 2.91Å
10R81.2Confident73.7Confident211 Ų211145 Ų14580%0.79678%0.78SS**PPolyproline II helixtrans-70.4132.2-179.9-65.3-178.9-171.6150.33.1110D8 L12D8-R10 VanDerWaalsContact C-N 3.26Å; D8-R10 WeakPolarHBondContact OD1-CB 3.5Å; R10-L12 PolarHBondContact O-N 2.76Å
11R80.3Confident74.1Confident238 Ų238142.6 Ų142.690%0.89877%0.767SS**PPolyproline II helixtrans-62133.5171.5-70.3-174.2176.3-159.3-0.9109T9T9-R11 PolarHBondContact O-N 2.91Å
12L85.4Confident75.7Confident164 Ų164133.1 Ų133.186%0.85973%0.728SS**PPolyproline II helixtrans-60137.4171.7-63.5173.7000109.2R10 S14R10-L12 PolarHBondContact O-N 2.76Å; L12-S14 PolarHBondContact O-N 2.97Å
13N83.4Confident77Confident171 Ų171136.9 Ų136.991%0.91473%0.726SS**  trans-64.3109.5171.2-83.2-5.2000109
14S83.4Confident78Confident107 Ų107131.3 Ų131.375%0.74870%0.704SS**PPolyproline II helixtrans-84.5146169.953.90000110.3L12L12-S14 PolarHBondContact O-N 2.97Å
15K84.7Confident78.7Confident203 Ų203131.6 Ų131.688%0.88371%0.706SS**PPolyproline II helixtrans-63.4134.2167.6-100.7179.9173.5179.30108.7
16P83.8Confident79.1Confident121 Ų121129.3 Ų129.379%0.78669%0.694SS**PPolyproline II helixtrans-61.7139.2172.824.6-31.4000109.7
17Q82.1Confident79.6Confident131 Ų131127.2 Ų127.261%0.61269%0.685SS**PPolyproline II helixtrans-69.1135176.7-167.5171.716.200109.5D21Q17-D21 HydrophobicContact CG-CB 4.08Å; Q17-D21 VanDerWaalsContact CG-OD2 3.3Å; Q17-D21 WeakPolarHBondContact CG-OD2 3.42Å; Q17-D21 PolarHBondContact NE2-OD2 3.25Å
18D87.2Confident80.5Confident94 Ų94129 Ų12950%0.50368%0.684SS.*PPolyproline II helixtrans-74.9150.3176.2-173.620.5000110.7T20 D21 A22D18-T20 PolarHBondContact O-N 2.87Å; D18-T20 PolarHBondContact OD2-OG1 2.81Å; D18-D21 PolarHBondContact O-N 2.83Å; D18-A22 PolarHBondContact O-N 2.83Å
19L82.3Confident81.5Confident127 Ų127126.9 Ų126.967%0.66567%0.669SS**Hα-helixtrans-60.6-32177.5-65.9176.3000111.6D21 A22 Y23L19-D21 VanDerWaalsContact C-N 3.33Å; L19-A22 PolarHBondContact O-N 3.13Å; L19-Y23 HydrophobicContact CD2-CE2 4.16Å; L19-Y23 WeakPolarHBondContact O-CD2 3.46Å; L19-Y23 PolarHBondContact O-N 2.95Å; L19-Y23 VanDerWaalsContact O-N 3.11Å
20T82.1Confident82.2Confident103 Ų103122.7 Ų122.763%0.63264%0.642SS**Hα-helixtrans-67.5-33.3176.265.60000112.6D18 G24D18-T20 PolarHBondContact O-N 2.87Å; D18-T20 PolarHBondContact OD2-OG1 2.81Å; T20-G24 WeakPolarHBondContact O-CA 3.37Å; T20-G24 PolarHBondContact O-N 3.1Å
21D81.7Confident82.9Confident94 Ų94115.7 Ų115.750%0.50362%0.618SS.*Hα-helixtrans-80.4-34.2177.1-17252.5000111.4Q17 D18 L19Q17-D21 HydrophobicContact CG-CB 4.08Å; Q17-D21 VanDerWaalsContact CG-OD2 3.3Å; Q17-D21 WeakPolarHBondContact CG-OD2 3.42Å; Q17-D21 PolarHBondContact NE2-OD2 3.25Å; D18-D21 PolarHBondContact O-N 2.83Å; L19-D21 VanDerWaalsContact C-N 3.33Å
22A80.3Confident83.7Confident50 Ų50104.5 Ų104.541%0.41358%0.576SS.*Hα-helixtrans-70-34.6178.300000113.5D18 L19D18-A22 PolarHBondContact O-N 2.83Å; L19-A22 PolarHBondContact O-N 3.13Å
23Y83.1Confident84.3Confident198 Ų19899 Ų9978%0.77655%0.548SS*.Hα-helixtrans-117.21.1-175.3-61.8-74.3000114L19L19-Y23 HydrophobicContact CD2-CE2 4.16Å; L19-Y23 WeakPolarHBondContact O-CD2 3.46Å; L19-Y23 PolarHBondContact O-N 2.95Å; L19-Y23 VanDerWaalsContact O-N 3.11Å
24G75.6Confident85Confident35 Ų3590.9 Ų90.936%0.36150%0.504SS..SBendtrans-70.8158.3177.200000112.7T20T20-G24 WeakPolarHBondContact O-CA 3.37Å; T20-G24 PolarHBondContact O-N 3.1Å
25P71.5Confident85.7Confident113 Ų11389.5 Ų89.573%0.73448%0.483SS*.PPolyproline II helixtrans-59.1147.5168.926.5-33000109.9S27P25-S27 PolarHBondContact O-N 3.48Å
26P72.9Confident86.3Confident94 Ų9482.8 Ų82.861%0.6146%0.457SS*.PPolyproline II helixtrans-54.8135.8-179.920.5-30.7000110.2N28 N57P26-N28 PolarHBondContact O-N 2.84Å; P26-N57 PolarHBondContact O-ND2 3.23Å
27S74.4Confident86.9Confident88 Ų8879.8 Ų79.862%0.61544%0.438SS*.SBendtrans-60.9-23.8-166.1-39.80000113.3P25 N57P25-S27 PolarHBondContact O-N 3.48Å; S27-N57 PolarHBondContact O-ND2 2.71Å; S27-N57 VanDerWaalsContact O-ND2 3.15Å
28N85.2Confident87.5Confident112 Ų11277.2 Ų77.260%0.59943%0.425SS*.  trans-143.5116.9-177.9-64.7-47000110.9P26 N57 L58P26-N28 PolarHBondContact O-N 2.84Å; N28-N57 VanDerWaalsContact CA-OD1 3.28Å; N28-N57 WeakPolarHBondContact CA-OD1 3.28Å; N28-L58 HydrophobicContact CB-CD2 3.73Å; N28-L58 WeakPolarHBondContact OD1-CD2 3.43Å
29F91.7Very high87.9Confident83 Ų8376 Ų7636%0.36442%0.421SS..  trans-131.1149.3168.878.3-92.6000110.7E31 R55 T56 N57F29-E31 HydrophobicContact CD2-CG 4.45Å; F29-E31 HydrophobicContact CE2-CG 4.49Å; F29-R55 HydrophobicContact CE2-CB 4.26Å; F29-T56 WeakPolarHBondContact O-CA 3.27Å; F29-T56 WeakPolarHBondContact O-CB 3.4Å; F29-T56 PolarHBondContact O-OG1 2.89Å; F29-N57 HydrophobicContact CD1-CB 3.97Å; F29-N57 VanDerWaalsContact CD1-CG 3.4Å; F29-N57 WeakPolarHBondContact CD1-ND2 3.45Å; F29-N57 HydrophobicContact CE1-CB 3.64Å; F29-N57 HydrophobicContact CZ-CB 4.38Å; F29-N57 PolarHBondContact N-OD1 3.2Å; F29-N57 PolarHBondContact O-N 3.12Å; F29-N57 PolarHBondContact O-OD1 2.95Å
30L94.4Very high88.4Confident39 Ų3973.2 Ų73.220%0.20441%0.406CS..EExtended strand (participates in β ladder)trans-146.9114.8173.2173.363.8000106.7I32 M54 T56 L58 F61 A131L30-I32 HydrophobicContact CD1-CD1 4.34Å; L30-I32 HydrophobicContact CD1-CG1 4.2Å; L30-I32 HydrophobicContact CG-CG1 4.47Å; L30-M54 HydrophobicContact CD1-CG 3.78Å; L30-M54 HydrophobicContact CD1-SD 4.19Å; L30-T56 HydrophobicContact CD1-CG2 4.38Å; L30-L58 HydrophobicContact CB-CD1 3.97Å; L30-L58 HydrophobicContact CD2-CD1 4.2Å; L30-F61 HydrophobicContact CD1-CE2 4.06Å; L30-F61 HydrophobicContact CD1-CZ 4.44Å; L30-F61 HydrophobicContact CD2-CE2 4.05Å; L30-F61 HydrophobicContact CD2-CZ 4.3Å; L30-A131 HydrophobicContact CD2-CB 3.74Å; L30-A131 WeakPolarHBondContact CD2-O 3.28Å
31E95.4Very high88.8Confident65 Ų6570.2 Ų70.230%0.30440%0.396SS..EExtended strand (participates in β ladder)trans-121.1133.1176.462.3-172.615900108.3F29 M54 R55F29-E31 HydrophobicContact CD2-CG 4.45Å; F29-E31 HydrophobicContact CE2-CG 4.49Å; E31-M54 WeakPolarHBondContact O-CA 3.1Å; E31-R55 HydrophobicContact CG-CB 3.58Å; E31-R55 PolarHBondContact N-O 2.77Å; E31-R55 PolarHBondContact O-N 2.98Å; E31-R55 VanDerWaalsContact OE1-CB 3.24Å; E31-R55 WeakPolarHBondContact OE1-CB 3.27Å; E31-R55 WeakPolarHBondContact OE1-CD 3.47Å; E31-R55 IonicContact OE1-CZ 3.9Å; E31-R55 IonicContact OE1-NE 3.26Å; E31-R55 PolarHBondContact OE1-NE 2.96Å; E31-R55 IonicContact OE1-NH1 3.41Å; E31-R55 PolarHBondContact OE1-NH1 2.87Å; E31-R55 IonicContact OE1-NH2 3.51Å; E31-R55 IonicContact OE2-CZ 2.97Å; E31-R55 VanDerWaalsContact OE2-CZ 3.25Å; E31-R55 IonicContact OE2-NH1 2.73Å; E31-R55 PolarHBondContact OE2-NH1 2.8Å; E31-R55 IonicContact OE2-NH2 3.89Å; E31-R55 PolarHBondContact OE2-NH2 2.89Å
32I97.9Very high89.2Confident2 Ų271.9 Ų71.91%0.0141%0.41CS..EExtended strand (participates in β ladder)trans-129.9119.5177.5-54.8176.4000108.5L30 V52 R53 M54 I127 N128 A131 L146L30-I32 HydrophobicContact CD1-CD1 4.34Å; L30-I32 HydrophobicContact CD1-CG1 4.2Å; L30-I32 HydrophobicContact CG-CG1 4.47Å; I32-V52 HydrophobicContact CG2-CG1 3.72Å; I32-R53 CarbonylContact C-O 3.52Å; I32-R53 VanDerWaalsContact CA-O 3.22Å; I32-R53 WeakPolarHBondContact CA-O 3.21Å; I32-M54 HydrophobicContact CD1-CG 4.39Å; I32-M54 HydrophobicContact CG1-CB 4.16Å; I32-M54 HydrophobicContact CG1-CG 3.97Å; I32-I127 HydrophobicContact CB-CG2 4.22Å; I32-I127 HydrophobicContact CD1-CG1 4.01Å; I32-I127 HydrophobicContact CG2-CG1 4.24Å; I32-I127 HydrophobicContact CG2-CG2 3.65Å; I32-N128 PolarHBondContact N-OD1 3.48Å; I32-N128 PolarHBondContact O-ND2 2.96Å; I32-A131 HydrophobicContact CD1-CB 3.4Å; I32-A131 VanDerWaalsContact CD1-CB 3.4Å; I32-L146 HydrophobicContact CD1-CD1 3.88Å; I32-L146 HydrophobicContact CD1-CD2 3.98Å; I32-L146 HydrophobicContact CG2-CD2 4.38Å
33D98.3Very high89.4Confident50 Ų5071.8 Ų71.827%0.26741%0.414SS..EExtended strand (participates in β ladder)trans-105.9135.6179.5-57.7-48.8000108.8Y35 V52 R53 R55D33-Y35 HydrophobicContact CB-CD1 4Å; D33-Y35 HydrophobicContact CB-CE1 4.34Å; D33-V52 WeakPolarHBondContact O-CA 3.35Å; D33-R53 PolarHBondContact N-O 2.84Å; D33-R53 PolarHBondContact O-N 2.87Å; D33-R55 IonicContact OD2-CZ 2.84Å; D33-R55 IonicContact OD2-NH2 3.72Å; D33-R55 PolarHBondContact OD2-NH2 2.88Å
34V98.1Very high89.3Confident0 Ų074.2 Ų74.20%042%0.421CS..EExtended strand (participates in β ladder)trans-115.3114.6173.1-1770000108.4Y50 E51 V52 R120 E124 I127V34-Y50 HydrophobicContact CG1-CD1 4.26Å; V34-Y50 HydrophobicContact CG1-CG 4.02Å; V34-E51 CarbonylContact C-O 3.6Å; V34-E51 VanDerWaalsContact CA-O 3.28Å; V34-E51 WeakPolarHBondContact CA-O 3.37Å; V34-V52 HydrophobicContact CG2-CG2 4.35Å; V34-R120 HydrophobicContact CB-CG 4.37Å; V34-R120 HydrophobicContact CG1-CG 4.06Å; V34-R120 WeakPolarHBondContact O-CD 3.45Å; V34-R120 WeakPolarHBondContact O-CG 3.33Å; V34-R120 PolarHBondContact O-NH1 2.99Å; V34-E124 HydrophobicContact CB-CB 4.02Å; V34-E124 HydrophobicContact CB-CG 4.46Å; V34-E124 HydrophobicContact CG2-CB 3.95Å; V34-E124 HydrophobicContact CG2-CG 4.31Å; V34-E124 PolarHBondContact N-OE2 2.55Å; V34-I127 HydrophobicContact CG2-CG2 4.11Å
35Y97.1Very high89.8Confident77 Ų7778.7 Ų78.730%0.30244%0.437SS..EExtended strand (participates in β ladder)trans-147.8-173.3-172.564.2-86.7000112.3D33 E51 R53D33-Y35 HydrophobicContact CB-CD1 4Å; D33-Y35 HydrophobicContact CB-CE1 4.34Å; Y35-E51 HydrophobicContact CD2-CB 4.27Å; Y35-E51 HydrophobicContact CE1-CB 4.25Å; Y35-E51 HydrophobicContact CE2-CB 3.85Å; Y35-E51 HydrophobicContact CE2-CG 4.45Å; Y35-E51 WeakPolarHBondContact CE2-OE2 3.45Å; Y35-E51 VanDerWaalsContact CZ-OE2 3.3Å; Y35-E51 PolarHBondContact N-O 2.74Å; Y35-E51 PolarHBondContact O-N 2.95Å; Y35-E51 PolarHBondContact OH-OE2 2.86Å; Y35-R53 HydrophobicContact CE1-CB 3.6Å
36D97.1Very high90.7Very high63 Ų6378 Ų7834%0.33742%0.42SS..EExtended strand (participates in β ladder)trans48.366.8179-172.940.3000113.5Q38 E51 R69D36-Q38 PolarHBondContact O-N 3.22Å; D36-Q38 PolarHBondContact OD2-NE2 2.92Å; D36-E51 HydrophobicContact CB-CB 4.43Å; D36-E51 HydrophobicContact CB-CG 4.15Å; D36-R69 IonicContact OD2-NH2 3.69Å; D36-R69 PolarHBondContact OD2-NH2 2.7Å
37P96.7Very high91.7Very high58 Ų5877.1 Ų77.138%0.37741%0.406SS..EExtended strand (participates in β ladder)trans-67121.3177.128.4-33.4000110.9T48 T49 Y50 I116P37-T48 HydrophobicContact CB-CG2 4.05Å; P37-T49 CarbonylContact C-O 3.56Å; P37-T49 VanDerWaalsContact CA-O 3.32Å; P37-T49 WeakPolarHBondContact CA-O 3.42Å; P37-Y50 HydrophobicContact CB-CD1 3.97Å; P37-Y50 HydrophobicContact CB-CE1 3.87Å; P37-I116 HydrophobicContact CB-CG2 3.28Å; P37-I116 HydrophobicContact CG-CG2 3.67Å
38Q95.4Very high92.7Very high76 Ų7673.4 Ų73.436%0.35538%0.38SS..EExtended strand (participates in β ladder)trans-123.1128176.9-62.9-165.19.800111.6D36 T48 T49 R69D36-Q38 PolarHBondContact O-N 3.22Å; D36-Q38 PolarHBondContact OD2-NE2 2.92Å; Q38-T48 CarbonylContact O-C 3.57Å; Q38-T48 WeakPolarHBondContact O-CA 3.09Å; Q38-T49 PolarHBondContact N-O 2.73Å; Q38-T49 PolarHBondContact O-N 3.14Å; Q38-T49 PolarHBondContact O-OG1 3.26Å; Q38-T49 VanDerWaalsContact O-OG1 3.13Å; Q38-R69 VanDerWaalsContact NE2-NH2 3.15Å
39T94.2Very high93.2Very high68 Ų6868.5 Ų68.542%0.41735%0.354SS..EExtended strand (participates in β ladder)trans-86114.6174.2-60.90000109.7R46 F47 F111T39-R46 HydrophobicContact CG2-CB 4.1Å; T39-R46 HydrophobicContact CG2-CG 4.46Å; T39-F47 WeakPolarHBondContact CA-O 3.32Å; T39-F111 HydrophobicContact CG2-CD1 3.79Å; T39-F111 HydrophobicContact CG2-CE1 3.75Å
40I93.4Very high93.5Very high69 Ų6964.6 Ų64.635%0.35434%0.337SS..EExtended strand (participates in β ladder)trans-106.1144.9-179.7-55.5-177.9000109.1R46 F47 T49I40-R46 CarbonylContact O-C 3.55Å; I40-R46 VanDerWaalsContact O-CA 3.28Å; I40-R46 WeakPolarHBondContact O-CA 3.43Å; I40-F47 HydrophobicContact CB-CE2 4.06Å; I40-F47 HydrophobicContact CB-CZ 4.06Å; I40-F47 HydrophobicContact CG2-CE2 4.49Å; I40-F47 HydrophobicContact CG2-CZ 4.05Å; I40-F47 PolarHBondContact N-O 2.98Å; I40-F47 PolarHBondContact O-N 3.31Å; I40-T49 HydrophobicContact CD1-CG2 3.71Å; I40-T49 WeakPolarHBondContact CD1-OG1 3.44Å; I40-T49 HydrophobicContact CG1-CG2 4.34Å
41G91.5Very high93.7Very high41 Ų4164.9 Ų64.942%0.42334%0.337SS..SBendtrans101.4-178.1175.900000113.3R46G41-R46 WeakPolarHBondContact O-CG 3.38Å
42V88.2Confident93.8Very high129 Ų12961.8 Ų61.878%0.78232%0.323SS*.SBendtrans-134.5142.2-175.3-176.30000110.1R44 N45V42-R44 PolarHBondContact O-N 3.5Å; V42-N45 PolarHBondContact O-N 3.07Å
43G84.9Confident93.9Very high48 Ų4865.6 Ų65.650%0.49534%0.337SS..G310 helixtrans61.2-121.7176.200000113.2N45 R46G43-N45 VanDerWaalsContact C-N 3.34Å; G43-R46 WeakPolarHBondContact O-CG 3.37Å; G43-R46 PolarHBondContact O-NE 3.34Å; G43-R46 VanDerWaalsContact O-NE 3.09Å
44R81.1Confident93.9Very high248 Ų24863.3 Ų63.394%0.93633%0.325SS*.G310 helixtrans-78.8-14.3-178.2-67.1-176.7178.6168.90114V42 R46V42-R44 PolarHBondContact O-N 3.5Å; R44-R46 VanDerWaalsContact C-N 3.33Å
45N86.2Confident93.8Very high130 Ų13066.7 Ų66.770%0.69534%0.338SS*.G310 helixtrans-97.118.5-179.4-67.7-9.2000112.4V42 G43 F47V42-N45 PolarHBondContact O-N 3.07Å; G43-N45 VanDerWaalsContact C-N 3.34Å; N45-F47 WeakPolarHBondContact O-CD1 3.31Å
46R91.2Very high93.7Very high99 Ų9963.2 Ų63.237%0.37432%0.324SS..  trans-73.9139.8176.6-69.8-175.1-61.1161.87.4110.9T39 I40 G41 G43 R44 F111T39-R46 HydrophobicContact CG2-CB 4.1Å; T39-R46 HydrophobicContact CG2-CG 4.46Å; I40-R46 CarbonylContact O-C 3.55Å; I40-R46 VanDerWaalsContact O-CA 3.28Å; I40-R46 WeakPolarHBondContact O-CA 3.43Å; G41-R46 WeakPolarHBondContact O-CG 3.38Å; G43-R46 WeakPolarHBondContact O-CG 3.37Å; G43-R46 PolarHBondContact O-NE 3.34Å; G43-R46 VanDerWaalsContact O-NE 3.09Å; R44-R46 VanDerWaalsContact C-N 3.33Å; R46-F111 HydrophobicContact CB-CE1 3.79Å; R46-F111 HydrophobicContact CB-CE2 4.39Å; R46-F111 HydrophobicContact CB-CZ 3.5Å
47F92.8Very high93.5Very high74 Ų7462.6 Ų62.633%0.32532%0.321SS..EExtended strand (participates in β ladder)trans-148.9150.3172.257.3-89000111.1T39 I40 N45 T49 R71T39-F47 WeakPolarHBondContact CA-O 3.32Å; I40-F47 HydrophobicContact CB-CE2 4.06Å; I40-F47 HydrophobicContact CB-CZ 4.06Å; I40-F47 HydrophobicContact CG2-CE2 4.49Å; I40-F47 HydrophobicContact CG2-CZ 4.05Å; I40-F47 PolarHBondContact N-O 2.98Å; I40-F47 PolarHBondContact O-N 3.31Å; N45-F47 WeakPolarHBondContact O-CD1 3.31Å; F47-T49 HydrophobicContact CD2-CG2 3.79Å; F47-T49 HydrophobicContact CE2-CG2 3.57Å; F47-R71 HydrophobicContact CD2-CB 4.24Å
48T95.2Very high93.3Very high11 Ų1160.9 Ų60.97%0.06731%0.309CS..EExtended strand (participates in β ladder)trans-90.5130.7176.8-46.10000110.4P37 Q38 Y50 I116P37-T48 HydrophobicContact CB-CG2 4.05Å; Q38-T48 CarbonylContact O-C 3.57Å; Q38-T48 WeakPolarHBondContact O-CA 3.09Å; T48-Y50 HydrophobicContact CG2-CE1 4.25Å; T48-Y50 HydrophobicContact CG2-CE2 4.35Å; T48-I116 HydrophobicContact CG2-CD1 4.32Å; T48-I116 HydrophobicContact CG2-CG1 4.4Å; T48-I116 HydrophobicContact CG2-CG2 4.29Å
49T97.2Very high93.1Very high9 Ų962.7 Ų62.76%0.05533%0.327CS..EExtended strand (participates in β ladder)trans-109.6158.6169.957.70000110.2P37 Q38 I40 F47 R69 R70 R71P37-T49 CarbonylContact C-O 3.56Å; P37-T49 VanDerWaalsContact CA-O 3.32Å; P37-T49 WeakPolarHBondContact CA-O 3.42Å; Q38-T49 PolarHBondContact N-O 2.73Å; Q38-T49 PolarHBondContact O-N 3.14Å; Q38-T49 PolarHBondContact O-OG1 3.26Å; Q38-T49 VanDerWaalsContact O-OG1 3.13Å; I40-T49 HydrophobicContact CD1-CG2 3.71Å; I40-T49 WeakPolarHBondContact CD1-OG1 3.44Å; I40-T49 HydrophobicContact CG1-CG2 4.34Å; F47-T49 HydrophobicContact CD2-CG2 3.79Å; F47-T49 HydrophobicContact CE2-CG2 3.57Å; T49-R69 HydrophobicContact CG2-CG 4.49Å; T49-R70 CarbonylContact C-O 3.53Å; T49-R70 WeakPolarHBondContact CA-O 3.31Å; T49-R71 HydrophobicContact CG2-CB 4.16Å
50Y97.9Very high93.1Very high1 Ų161.6 Ų61.60%0.00432%0.318CS..EExtended strand (participates in β ladder)trans-132145.1178.8-53-89.4000108.7V34 P37 T48 R69 R70 I116 R119 R120 L123V34-Y50 HydrophobicContact CG1-CD1 4.26Å; V34-Y50 HydrophobicContact CG1-CG 4.02Å; P37-Y50 HydrophobicContact CB-CD1 3.97Å; P37-Y50 HydrophobicContact CB-CE1 3.87Å; T48-Y50 HydrophobicContact CG2-CE1 4.25Å; T48-Y50 HydrophobicContact CG2-CE2 4.35Å; Y50-R69 WeakPolarHBondContact O-CA 3.41Å; Y50-R70 PolarHBondContact N-O 3.47Å; Y50-R70 PolarHBondContact O-N 3.18Å; Y50-I116 HydrophobicContact CE1-CG2 4.08Å; Y50-R119 WeakPolarHBondContact OH-CD 3.41Å; Y50-R119 WeakPolarHBondContact OH-CG 3.43Å; Y50-R120 HydrophobicContact CD1-CB 4.26Å; Y50-R120 HydrophobicContact CD1-CG 4.14Å; Y50-R120 HydrophobicContact CE1-CB 3.95Å; Y50-R120 HydrophobicContact CE1-CG 4.33Å; Y50-L123 HydrophobicContact CD2-CD1 3.84Å; Y50-L123 HydrophobicContact CE2-CD1 3.65Å
51E98.1Very high93.1Very high44 Ų4458.5 Ų58.521%0.20630%0.302CS..EExtended strand (participates in β ladder)trans-76.8131.1163.4-67.7-162.9167.600109.8V34 Y35 D36 V67 R69V34-E51 CarbonylContact C-O 3.6Å; V34-E51 VanDerWaalsContact CA-O 3.28Å; V34-E51 WeakPolarHBondContact CA-O 3.37Å; Y35-E51 HydrophobicContact CD2-CB 4.27Å; Y35-E51 HydrophobicContact CE1-CB 4.25Å; Y35-E51 HydrophobicContact CE2-CB 3.85Å; Y35-E51 HydrophobicContact CE2-CG 4.45Å; Y35-E51 WeakPolarHBondContact CE2-OE2 3.45Å; Y35-E51 VanDerWaalsContact CZ-OE2 3.3Å; Y35-E51 PolarHBondContact N-O 2.74Å; Y35-E51 PolarHBondContact O-N 2.95Å; Y35-E51 PolarHBondContact OH-OE2 2.86Å; D36-E51 HydrophobicContact CB-CB 4.43Å; D36-E51 HydrophobicContact CB-CG 4.15Å; E51-V67 HydrophobicContact CB-CG1 4.34Å; E51-R69 IonicContact OE1-CZ 3.61Å; E51-R69 IonicContact OE1-NE 3.29Å; E51-R69 IonicContact OE1-NH2 2.82Å; E51-R69 PolarHBondContact OE1-NH2 3.39Å
52V98.4Very high93.2Very high1 Ų165.3 Ų65.31%0.00632%0.32CS..EExtended strand (participates in β ladder)trans-113.2108.2174.5-176.50000106.3I32 D33 V34 V67 V68 R70 F75 L146I32-V52 HydrophobicContact CG2-CG1 3.72Å; D33-V52 WeakPolarHBondContact O-CA 3.35Å; V34-V52 HydrophobicContact CG2-CG2 4.35Å; V52-V67 WeakPolarHBondContact O-CA 3.26Å; V52-V68 HydrophobicContact CB-CG2 4.09Å; V52-V68 PolarHBondContact N-O 2.73Å; V52-V68 PolarHBondContact O-N 2.94Å; V52-R70 HydrophobicContact CG2-CB 3.95Å; V52-R70 HydrophobicContact CG2-CG 3.88Å; V52-F75 HydrophobicContact CG2-CE2 4.44Å; V52-F75 HydrophobicContact CG2-CZ 3.89Å; V52-L146 HydrophobicContact CG1-CD2 3.93Å
53R98.4Very high93.5Very high82 Ų8262.5 Ų62.531%0.30930%0.3SS..EExtended strand (participates in β ladder)trans-102.3129.6175.7179.6171.8-172.5-1680.2109.8I32 D33 Y35 D65 S66 V67I32-R53 CarbonylContact C-O 3.52Å; I32-R53 VanDerWaalsContact CA-O 3.22Å; I32-R53 WeakPolarHBondContact CA-O 3.21Å; D33-R53 PolarHBondContact N-O 2.84Å; D33-R53 PolarHBondContact O-N 2.87Å; Y35-R53 HydrophobicContact CE1-CB 3.6Å; R53-D65 IonicContact CZ-OD2 2.8Å; R53-D65 IonicContact NE-OD1 3.98Å; R53-D65 IonicContact NE-OD2 3.41Å; R53-D65 IonicContact NH2-OD2 2.91Å; R53-D65 PolarHBondContact NH2-OD2 3.1Å; R53-S66 CarbonylContact C-O 3.55Å; R53-S66 VanDerWaalsContact CA-O 3.27Å; R53-S66 WeakPolarHBondContact CA-O 3.35Å; R53-V67 HydrophobicContact CB-CG2 4.01Å; R53-V67 HydrophobicContact CG-CG2 3.79Å
54M97.9Very high94Very high1 Ų165 Ų651%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-116.5133.1174.8177.2-85.1-7200109.3L30 E31 I32 T56 F61 D65 S66 Q147L30-M54 HydrophobicContact CD1-CG 3.78Å; L30-M54 HydrophobicContact CD1-SD 4.19Å; E31-M54 WeakPolarHBondContact O-CA 3.1Å; I32-M54 HydrophobicContact CD1-CG 4.39Å; I32-M54 HydrophobicContact CG1-CB 4.16Å; I32-M54 HydrophobicContact CG1-CG 3.97Å; M54-T56 HydrophobicContact CE-CG2 4.27Å; M54-T56 HydrophobicContact SD-CG2 3.37Å; M54-T56 WeakPolarHBondContact SD-CG2 3.41Å; M54-F61 HydrophobicContact CE-CB 4.35Å; M54-F61 HydrophobicContact CE-CD1 4.17Å; M54-F61 HydrophobicContact CE-CG 4.31Å; M54-D65 CarbonylContact O-C 3.5Å; M54-D65 VanDerWaalsContact O-CA 3.27Å; M54-D65 WeakPolarHBondContact O-CA 3.11Å; M54-S66 WeakPolarHBondContact CE-OG 3.42Å; M54-S66 PolarHBondContact N-O 3.3Å; M54-S66 PolarHBondContact O-N 3.47Å; M54-Q147 HydrophobicContact CE-CG 3.97Å
55R96.8Very high94.7Very high72 Ų7256.7 Ų56.727%0.27227%0.272SS..EExtended strand (participates in β ladder)trans-127.3130.7169.4-66.6174.6-82.1145.4-1.9109.2F29 E31 D33 K64 D65F29-R55 HydrophobicContact CE2-CB 4.26Å; E31-R55 HydrophobicContact CG-CB 3.58Å; E31-R55 PolarHBondContact N-O 2.77Å; E31-R55 PolarHBondContact O-N 2.98Å; E31-R55 VanDerWaalsContact OE1-CB 3.24Å; E31-R55 WeakPolarHBondContact OE1-CB 3.27Å; E31-R55 WeakPolarHBondContact OE1-CD 3.47Å; E31-R55 IonicContact OE1-CZ 3.9Å; E31-R55 IonicContact OE1-NE 3.26Å; E31-R55 PolarHBondContact OE1-NE 2.96Å; E31-R55 IonicContact OE1-NH1 3.41Å; E31-R55 PolarHBondContact OE1-NH1 2.87Å; E31-R55 IonicContact OE1-NH2 3.51Å; E31-R55 IonicContact OE2-CZ 2.97Å; E31-R55 VanDerWaalsContact OE2-CZ 3.25Å; E31-R55 IonicContact OE2-NH1 2.73Å; E31-R55 PolarHBondContact OE2-NH1 2.8Å; E31-R55 IonicContact OE2-NH2 3.89Å; E31-R55 PolarHBondContact OE2-NH2 2.89Å; D33-R55 IonicContact OD2-CZ 2.84Å; D33-R55 IonicContact OD2-NH2 3.72Å; D33-R55 PolarHBondContact OD2-NH2 2.88Å; R55-K64 CarbonylContact C-O 3.58Å; R55-K64 VanDerWaalsContact CA-O 3.31Å; R55-K64 WeakPolarHBondContact CA-O 3.29Å; R55-D65 HydrophobicContact CG-CB 4.41Å
56T95.6Very high95.3Very high3 Ų351 Ų512%0.01824%0.242CC..EExtended strand (participates in β ladder)trans-157.2150.3-177.3-168.30000112.5F29 L30 M54 L58 F61 K64F29-T56 WeakPolarHBondContact O-CA 3.27Å; F29-T56 WeakPolarHBondContact O-CB 3.4Å; F29-T56 PolarHBondContact O-OG1 2.89Å; L30-T56 HydrophobicContact CD1-CG2 4.38Å; M54-T56 HydrophobicContact CE-CG2 4.27Å; M54-T56 HydrophobicContact SD-CG2 3.37Å; M54-T56 WeakPolarHBondContact SD-CG2 3.41Å; T56-L58 WeakPolarHBondContact OG1-CB 3.4Å; T56-L58 WeakPolarHBondContact OG1-CG 3.4Å; T56-L58 PolarHBondContact OG1-N 3.07Å; T56-F61 HydrophobicContact CG2-CB 3.77Å; T56-F61 HydrophobicContact CG2-CD2 3.74Å; T56-F61 HydrophobicContact CG2-CG 3.98Å; T56-K64 PolarHBondContact N-O 3.49Å; T56-K64 WeakPolarHBondContact O-CA 3.48Å; T56-K64 WeakPolarHBondContact O-CB 3.46Å; T56-K64 WeakPolarHBondContact O-CD 3.11Å
57N92.8Very high95.6Very high50 Ų5049.7 Ų49.727%0.26725%0.245SC..  trans-97.7-6.4164.863.7-2000112.9P26 S27 N28 F29 K64P26-N57 PolarHBondContact O-ND2 3.23Å; S27-N57 PolarHBondContact O-ND2 2.71Å; S27-N57 VanDerWaalsContact O-ND2 3.15Å; N28-N57 VanDerWaalsContact CA-OD1 3.28Å; N28-N57 WeakPolarHBondContact CA-OD1 3.28Å; F29-N57 HydrophobicContact CD1-CB 3.97Å; F29-N57 VanDerWaalsContact CD1-CG 3.4Å; F29-N57 WeakPolarHBondContact CD1-ND2 3.45Å; F29-N57 HydrophobicContact CE1-CB 3.64Å; F29-N57 HydrophobicContact CZ-CB 4.38Å; F29-N57 PolarHBondContact N-OD1 3.2Å; F29-N57 PolarHBondContact O-N 3.12Å; F29-N57 PolarHBondContact O-OD1 2.95Å; N57-K64 PolarHBondContact O-NZ 2.97Å; N57-K64 VanDerWaalsContact O-NZ 3.13Å
58L92.4Very high95.8Very high22 Ų2246.6 Ų46.612%0.11523%0.232CC..  trans-59.1132.7-175.6-68.2174000111.6N28 L30 T56 I60 F61 K64N28-L58 HydrophobicContact CB-CD2 3.73Å; N28-L58 WeakPolarHBondContact OD1-CD2 3.43Å; L30-L58 HydrophobicContact CB-CD1 3.97Å; L30-L58 HydrophobicContact CD2-CD1 4.2Å; T56-L58 WeakPolarHBondContact OG1-CB 3.4Å; T56-L58 WeakPolarHBondContact OG1-CG 3.4Å; T56-L58 PolarHBondContact OG1-N 3.07Å; L58-I60 HydrophobicContact CB-CG2 4.25Å; L58-I60 PolarHBondContact O-N 3.02Å; L58-F61 HydrophobicContact CB-CD2 3.96Å; L58-F61 HydrophobicContact CB-CE2 4.47Å; L58-F61 HydrophobicContact CD1-CD2 4.24Å; L58-F61 HydrophobicContact CD1-CE2 3.93Å; L58-F61 PolarHBondContact O-N 2.82Å; L58-K64 PolarHBondContact O-NZ 2.85Å
59P91.6Very high96Very high115 Ų11549.9 Ų49.975%0.74724%0.243SC*.THydrogen-bonded Turntrans-72.5-16.3-175.728.7-35.4000113.7F61P59-F61 VanDerWaalsContact C-N 3.28Å; P59-F61 PolarHBondContact O-N 2.76Å
60I92.7Very high96Very high45 Ų4549.7 Ų49.723%0.23124%0.241CC..THydrogen-bonded Turntrans-69.2-27.8179.3-165.6154.2000112.6L58 Q137 N138 H143L58-I60 HydrophobicContact CB-CG2 4.25Å; L58-I60 PolarHBondContact O-N 3.02Å; I60-Q137 HydrophobicContact CD1-CB 3.96Å; I60-Q137 WeakPolarHBondContact CD1-O 3.46Å; I60-Q137 HydrophobicContact CG2-CB 4.33Å; I60-N138 WeakPolarHBondContact CD1-OD1 3.2Å; I60-H143 PolarHBondContact O-CE1 2.96Å
61F94Very high95.9Very high3 Ų353.6 Ų53.61%0.01326%0.256CS..SBendtrans-87.7128.4177.7-69.5-73.1000110.2L30 M54 T56 L58 P59 Q137 L142 H143 L146L30-F61 HydrophobicContact CD1-CE2 4.06Å; L30-F61 HydrophobicContact CD1-CZ 4.44Å; L30-F61 HydrophobicContact CD2-CE2 4.05Å; L30-F61 HydrophobicContact CD2-CZ 4.3Å; M54-F61 HydrophobicContact CE-CB 4.35Å; M54-F61 HydrophobicContact CE-CD1 4.17Å; M54-F61 HydrophobicContact CE-CG 4.31Å; T56-F61 HydrophobicContact CG2-CB 3.77Å; T56-F61 HydrophobicContact CG2-CD2 3.74Å; T56-F61 HydrophobicContact CG2-CG 3.98Å; L58-F61 HydrophobicContact CB-CD2 3.96Å; L58-F61 HydrophobicContact CB-CE2 4.47Å; L58-F61 HydrophobicContact CD1-CD2 4.24Å; L58-F61 HydrophobicContact CD1-CE2 3.93Å; L58-F61 PolarHBondContact O-N 2.82Å; P59-F61 VanDerWaalsContact C-N 3.28Å; P59-F61 PolarHBondContact O-N 2.76Å; F61-Q137 HydrophobicContact CE2-CG 4.49Å; F61-Q137 HydrophobicContact CZ-CG 4.38Å; F61-L142 HydrophobicContact CE1-CD2 4.5Å; F61-L142 HydrophobicContact CZ-CD2 4.35Å; F61-H143 AromaticContact CD1-CE1 3.48Å; F61-H143 VanDerWaalsContact CD1-CE1 3.48Å; F61-H143 WeakPolarHBondContact CD1-CE1 3.34Å; F61-H143 AromaticContact CD1-ND1 3.56Å; F61-H143 AromaticContact CE1-CE1 3.74Å; F61-L146 HydrophobicContact CE1-CD1 4Å; F61-L146 HydrophobicContact CZ-CD1 4.45Å
62K93.4Very high95.8Very high184 Ų18452.8 Ų52.880%0.825%0.251SS*.SBendtrans-62.5-45178.4-176.1-176.5176.7-172.90112.4
63L95.2Very high95.6Very high70 Ų7054.4 Ų54.437%0.36626%0.263SS..  trans-98.2142.5176.9-54.6-179.3000110.5Q147L63-Q147 HydrophobicContact CB-CG 4.49Å; L63-Q147 HydrophobicContact CD1-CB 4.09Å; L63-Q147 HydrophobicContact CD1-CG 4.48Å; L63-Q147 PolarHBondContact O-NE2 3.41Å
64K94.6Very high95.6Very high100 Ų10051.5 Ų51.544%0.43525%0.254SS..SBendtrans-92.7-25.8177.2-57.2-60.6174.1-174.40113.2R55 T56 N57 L58R55-K64 CarbonylContact C-O 3.58Å; R55-K64 VanDerWaalsContact CA-O 3.31Å; R55-K64 WeakPolarHBondContact CA-O 3.29Å; T56-K64 PolarHBondContact N-O 3.49Å; T56-K64 WeakPolarHBondContact O-CA 3.48Å; T56-K64 WeakPolarHBondContact O-CB 3.46Å; T56-K64 WeakPolarHBondContact O-CD 3.11Å; N57-K64 PolarHBondContact O-NZ 2.97Å; N57-K64 VanDerWaalsContact O-NZ 3.13Å; L58-K64 PolarHBondContact O-NZ 2.85Å
65D96.8Very high95.5Very high75 Ų7551.5 Ų51.540%0.40125%0.253SS..EExtended strand (participates in β ladder)trans-134131.8167.8-165-36.4000106.7R53 M54 R55R53-D65 IonicContact CZ-OD2 2.8Å; R53-D65 IonicContact NE-OD1 3.98Å; R53-D65 IonicContact NE-OD2 3.41Å; R53-D65 IonicContact NH2-OD2 2.91Å; R53-D65 PolarHBondContact NH2-OD2 3.1Å; M54-D65 CarbonylContact O-C 3.5Å; M54-D65 VanDerWaalsContact O-CA 3.27Å; M54-D65 WeakPolarHBondContact O-CA 3.11Å; R55-D65 HydrophobicContact CG-CB 4.41Å
66S97.8Very high95.5Very high9 Ų950 Ų506%0.06325%0.25CC..EExtended strand (participates in β ladder)trans-144.7144.6171.662.40000110.4R53 M54 L146R53-S66 CarbonylContact C-O 3.55Å; R53-S66 VanDerWaalsContact CA-O 3.27Å; R53-S66 WeakPolarHBondContact CA-O 3.35Å; M54-S66 WeakPolarHBondContact CE-OG 3.42Å; M54-S66 PolarHBondContact N-O 3.3Å; M54-S66 PolarHBondContact O-N 3.47Å; S66-L146 PolarHBondContact OG-O 3.43Å
67V98.1Very high95.5Very high72 Ų7251.3 Ų51.344%0.43625%0.254SS..EExtended strand (participates in β ladder)trans-126.9120.3173.3-1780000107.5E51 V52 R53E51-V67 HydrophobicContact CB-CG1 4.34Å; V52-V67 WeakPolarHBondContact O-CA 3.26Å; R53-V67 HydrophobicContact CB-CG2 4.01Å; R53-V67 HydrophobicContact CG-CG2 3.79Å
68V98.1Very high95.6Very high9 Ų949 Ų496%0.05524%0.242CC..EExtended strand (participates in β ladder)trans-132.5151-179.8-61.60000109.9V52 R70 F145 D148V52-V68 HydrophobicContact CB-CG2 4.09Å; V52-V68 PolarHBondContact N-O 2.73Å; V52-V68 PolarHBondContact O-N 2.94Å; V68-R70 HydrophobicContact CG2-CG 4.3Å; V68-F145 WeakPolarHBondContact CG2-O 3.31Å; V68-D148 WeakPolarHBondContact CG1-O 3.41Å
69R97.6Very high95.7Very high80 Ų8049.9 Ų49.930%0.30225%0.245SC..EExtended strand (participates in β ladder)trans-102129.6-179.1-164.4163.6-80.3-150-5111D36 Q38 T49 Y50 E51D36-R69 IonicContact OD2-NH2 3.69Å; D36-R69 PolarHBondContact OD2-NH2 2.7Å; Q38-R69 VanDerWaalsContact NE2-NH2 3.15Å; T49-R69 HydrophobicContact CG2-CG 4.49Å; Y50-R69 WeakPolarHBondContact O-CA 3.41Å; E51-R69 IonicContact OE1-CZ 3.61Å; E51-R69 IonicContact OE1-NE 3.29Å; E51-R69 IonicContact OE1-NH2 2.82Å; E51-R69 PolarHBondContact OE1-NH2 3.39Å
70R97.8Very high95.8Very high5 Ų548.6 Ų48.62%0.01923%0.231CC..EExtended strand (participates in β ladder)trans-135.4144.3-174.1-61.6-64.6176.6-110.88.1111.5T49 Y50 V52 V68 D74 F75 M144 F145 D148 E149T49-R70 CarbonylContact C-O 3.53Å; T49-R70 WeakPolarHBondContact CA-O 3.31Å; Y50-R70 PolarHBondContact N-O 3.47Å; Y50-R70 PolarHBondContact O-N 3.18Å; V52-R70 HydrophobicContact CG2-CB 3.95Å; V52-R70 HydrophobicContact CG2-CG 3.88Å; V68-R70 HydrophobicContact CG2-CG 4.3Å; R70-D74 HydrophobicContact CB-CB 4.5Å; R70-F75 HydrophobicContact CB-CD2 4.41Å; R70-F75 HydrophobicContact CB-CE2 3.78Å; R70-F75 HydrophobicContact CB-CZ 4.48Å; R70-M144 PolarHBondContact NH2-O 2.97Å; R70-F145 HydrophobicContact CB-CE2 4.28Å; R70-F145 HydrophobicContact CB-CZ 4.09Å; R70-F145 HydrophobicContact CG-CE1 4.28Å; R70-F145 HydrophobicContact CG-CE2 3.86Å; R70-F145 HydrophobicContact CG-CZ 3.72Å; R70-F145 VanDerWaalsContact CZ-O 3.27Å; R70-F145 PolarHBondContact NE-O 3.05Å; R70-F145 PolarHBondContact NH2-O 3.28Å; R70-D148 PolarHBondContact NH2-O 3.21Å; R70-E149 PolarHBondContact NH1-O 3.13Å
71R96Very high95.8Very high84 Ų8447.5 Ų47.532%0.31723%0.225SC..EExtended strand (participates in β ladder)trans-102.5163.5168.451.3173.5-175.4168.39.8110.5F47 T49 S73 D74 F75F47-R71 HydrophobicContact CD2-CB 4.24Å; T49-R71 HydrophobicContact CG2-CB 4.16Å; R71-S73 WeakPolarHBondContact CD-OG 3.46Å; R71-S73 WeakPolarHBondContact CG-OG 3.44Å; R71-S73 VanDerWaalsContact CZ-OG 3.27Å; R71-S73 PolarHBondContact NE-OG 3Å; R71-S73 PolarHBondContact O-N 2.75Å; R71-S73 VanDerWaalsContact O-N 3.1Å; R71-D74 WeakPolarHBondContact CG-OD2 3.31Å; R71-D74 PolarHBondContact N-OD2 2.88Å; R71-D74 IonicContact NE-OD1 3.82Å; R71-D74 VanDerWaalsContact O-CB 3.31Å; R71-D74 WeakPolarHBondContact O-CB 3.37Å; R71-D74 PolarHBondContact O-N 2.83Å; R71-F75 WeakPolarHBondContact O-CD2 3.42Å
72Y95.4Very high95.7Very high26 Ų2647.3 Ų47.310%0.10223%0.225CC..Hα-helixtrans-49.4-40.4178.8177.2-93000113.7D74 F75 E76 L93 P94 K96 R119 L123Y72-D74 PolarHBondContact O-N 2.85Å; Y72-F75 WeakPolarHBondContact O-CB 3.49Å; Y72-F75 PolarHBondContact O-N 3.17Å; Y72-F75 VanDerWaalsContact O-N 3.11Å; Y72-E76 HydrophobicContact CD1-CG 4.02Å; Y72-E76 HydrophobicContact CE1-CG 3.47Å; Y72-E76 VanDerWaalsContact CE1-CG 3.47Å; Y72-E76 WeakPolarHBondContact CE1-OE1 3.31Å; Y72-E76 PolarHBondContact O-N 3.3Å; Y72-L93 HydrophobicContact CE2-CB 4.42Å; Y72-P94 HydrophobicContact CE2-CG 4.23Å; Y72-P94 VanDerWaalsContact CE2-O 3.23Å; Y72-P94 WeakPolarHBondContact CE2-O 3.47Å; Y72-P94 PolarHBondContact OH-O 2.63Å; Y72-P94 VanDerWaalsContact OH-O 3.04Å; Y72-K96 HydrophobicContact CE1-CB 4.24Å; Y72-K96 HydrophobicContact CE1-CG 4.01Å; Y72-R119 HydrophobicContact CD2-CG 4.39Å; Y72-L123 HydrophobicContact CD2-CD2 4Å; Y72-L123 HydrophobicContact CE2-CD2 4.38Å
73S95.1Very high95.6Very high35 Ų3542.9 Ų42.925%0.24521%0.207CC..Hα-helixtrans-66-21.9179.161.70000114.1R71 W77R71-S73 WeakPolarHBondContact CD-OG 3.46Å; R71-S73 WeakPolarHBondContact CG-OG 3.44Å; R71-S73 VanDerWaalsContact CZ-OG 3.27Å; R71-S73 PolarHBondContact NE-OG 3Å; R71-S73 PolarHBondContact O-N 2.75Å; R71-S73 VanDerWaalsContact O-N 3.1Å; S73-W77 PolarHBondContact O-N 3.44Å
74D97.2Very high95.2Very high22 Ų2245.7 Ų45.712%0.11821%0.213CC..Hα-helixtrans-76.1-33.5176-54.7-26.3000110.3R70 R71 Y72 W77 L78 F145 I151 R153R70-D74 HydrophobicContact CB-CB 4.5Å; R71-D74 WeakPolarHBondContact CG-OD2 3.31Å; R71-D74 PolarHBondContact N-OD2 2.88Å; R71-D74 IonicContact NE-OD1 3.82Å; R71-D74 VanDerWaalsContact O-CB 3.31Å; R71-D74 WeakPolarHBondContact O-CB 3.37Å; R71-D74 PolarHBondContact O-N 2.83Å; Y72-D74 PolarHBondContact O-N 2.85Å; D74-W77 WeakPolarHBondContact O-CB 3.45Å; D74-W77 PolarHBondContact O-N 3.05Å; D74-L78 PolarHBondContact O-N 2.89Å; D74-F145 HydrophobicContact CB-CE2 4.06Å; D74-I151 HydrophobicContact CB-CD1 3.73Å; D74-R153 IonicContact OD1-NH2 3.23Å
75F97.1Very high94.3Very high0 Ų044.5 Ų44.50%021%0.211CC..Hα-helixtrans-67.7-38.9169.3-68.8-100.8000111.6V52 R70 R71 Y72 W77 L78 K79 L93 L123 F126 I127 F145V52-F75 HydrophobicContact CG2-CE2 4.44Å; V52-F75 HydrophobicContact CG2-CZ 3.89Å; R70-F75 HydrophobicContact CB-CD2 4.41Å; R70-F75 HydrophobicContact CB-CE2 3.78Å; R70-F75 HydrophobicContact CB-CZ 4.48Å; R71-F75 WeakPolarHBondContact O-CD2 3.42Å; Y72-F75 WeakPolarHBondContact O-CB 3.49Å; Y72-F75 PolarHBondContact O-N 3.17Å; Y72-F75 VanDerWaalsContact O-N 3.11Å; F75-W77 VanDerWaalsContact C-N 3.3Å; F75-W77 PolarHBondContact O-N 3.1Å; F75-L78 PolarHBondContact O-N 2.85Å; F75-K79 WeakPolarHBondContact O-CB 3.43Å; F75-K79 PolarHBondContact O-N 2.95Å; F75-L93 HydrophobicContact CB-CD2 3.83Å; F75-L123 HydrophobicContact CB-CD2 3.97Å; F75-L123 HydrophobicContact CD1-CB 4.47Å; F75-L123 HydrophobicContact CD1-CD2 3.8Å; F75-L123 HydrophobicContact CD2-CD1 4.18Å; F75-L123 HydrophobicContact CD2-CD2 3.93Å; F75-L123 HydrophobicContact CE1-CB 4.01Å; F75-L123 HydrophobicContact CE1-CD2 4.16Å; F75-L123 HydrophobicContact CE2-CD1 3.95Å; F75-L123 HydrophobicContact CE2-CD2 4.31Å; F75-L123 HydrophobicContact CG-CD2 3.66Å; F75-L123 HydrophobicContact CZ-CB 4.06Å; F75-L123 HydrophobicContact CZ-CD1 4.27Å; F75-L123 HydrophobicContact CZ-CD2 4.41Å; F75-L123 HydrophobicContact CZ-CG 4.48Å; F75-F126 AromaticContact CD1-CD1 3.85Å; F75-F126 HydrophobicContact CD1-CD1 3.85Å; F75-F126 HydrophobicContact CD1-CE1 4.04Å; F75-I127 HydrophobicContact CE1-CB 4.19Å; F75-F145 HydrophobicContact CD1-CE1 4.31Å; F75-F145 HydrophobicContact CD1-CE2 4.4Å; F75-F145 AromaticContact CD1-CZ 3.64Å; F75-F145 HydrophobicContact CD1-CZ 3.64Å; F75-F145 HydrophobicContact CD2-CE2 4.26Å; F75-F145 AromaticContact CD2-CZ 3.86Å; F75-F145 HydrophobicContact CD2-CZ 3.86Å; F75-F145 HydrophobicContact CE1-CE1 4.01Å; F75-F145 AromaticContact CE1-CZ 3.57Å; F75-F145 HydrophobicContact CE1-CZ 3.57Å; F75-F145 AromaticContact CE2-CZ 3.78Å; F75-F145 HydrophobicContact CE2-CZ 3.78Å; F75-F145 HydrophobicContact CG-CE2 4.2Å; F75-F145 AromaticContact CG-CZ 3.8Å; F75-F145 HydrophobicContact CG-CZ 3.8Å; F75-F145 HydrophobicContact CZ-CE1 4.25Å; F75-F145 AromaticContact CZ-CZ 3.65Å; F75-F145 HydrophobicContact CZ-CZ 3.65Å
76E95.6Very high93.2Very high42 Ų4241.6 Ų41.620%0.19620%0.197CC..Hα-helixtrans-58.6-43.9170.9-69.8-173.9119.900111.2Y72 K79 N80 L93 K96Y72-E76 HydrophobicContact CD1-CG 4.02Å; Y72-E76 HydrophobicContact CE1-CG 3.47Å; Y72-E76 VanDerWaalsContact CE1-CG 3.47Å; Y72-E76 WeakPolarHBondContact CE1-OE1 3.31Å; Y72-E76 PolarHBondContact O-N 3.3Å; E76-K79 PolarHBondContact O-N 2.76Å; E76-N80 PolarHBondContact O-N 3Å; E76-N80 PolarHBondContact O-ND2 2.98Å; E76-N80 PolarHBondContact O-OD1 3.11Å; E76-L93 HydrophobicContact CB-CD1 4.32Å; E76-L93 HydrophobicContact CG-CD1 3.88Å; E76-K96 VanDerWaalsContact CD-NZ 3.28Å; E76-K96 WeakPolarHBondContact OE1-CD 3.24Å; E76-K96 IonicContact OE1-NZ 2.64Å; E76-K96 PolarHBondContact OE1-NZ 3.23Å; E76-K96 IonicContact OE2-NZ 3.33Å; E76-K96 PolarHBondContact OE2-NZ 2.87Å
77W95.5Very high92.5Very high30 Ų3051 Ų5111%0.11424%0.236CC..Hα-helixtrans-59.9-50.9175.5169.682.5000111.4S73 D74 F75 K79 N80 E81 C141 M144 I151 Y155S73-W77 PolarHBondContact O-N 3.44Å; D74-W77 WeakPolarHBondContact O-CB 3.45Å; D74-W77 PolarHBondContact O-N 3.05Å; F75-W77 VanDerWaalsContact C-N 3.3Å; F75-W77 PolarHBondContact O-N 3.1Å; W77-K79 VanDerWaalsContact C-N 3.3Å; W77-K79 PolarHBondContact O-N 2.89Å; W77-N80 PolarHBondContact O-N 2.92Å; W77-N80 VanDerWaalsContact O-N 3.11Å; W77-E81 HydrophobicContact CD2-CG 4.02Å; W77-E81 VanDerWaalsContact CE2-CG 3.5Å; W77-E81 HydrophobicContact CG-CG 4.41Å; W77-E81 HydrophobicContact CH2-CG 4.24Å; W77-E81 HydrophobicContact CZ2-CG 3.66Å; W77-E81 WeakPolarHBondContact O-CG 3.4Å; W77-E81 PolarHBondContact O-N 3.38Å; W77-C141 HydrophobicContact CH2-CB 3.77Å; W77-C141 HydrophobicContact CZ2-CB 4.49Å; W77-C141 HydrophobicContact CZ3-CB 4.37Å; W77-M144 HydrophobicContact CH2-CE 3.26Å; W77-M144 HydrophobicContact CZ2-CE 3.57Å; W77-M144 HydrophobicContact CZ3-CE 4.32Å; W77-I151 HydrophobicContact CD2-CG2 3.98Å; W77-I151 HydrophobicContact CE3-CD1 4.01Å; W77-I151 HydrophobicContact CE3-CG2 3.81Å; W77-I151 HydrophobicContact CH2-CG2 3.68Å; W77-I151 HydrophobicContact CZ2-CG2 3.77Å; W77-I151 HydrophobicContact CZ3-CD1 4.14Å; W77-I151 HydrophobicContact CZ3-CG2 3.68Å; W77-Y155 HydrophobicContact CH2-CE1 4.33Å; W77-Y155 HydrophobicContact CZ2-CD1 4.02Å; W77-Y155 AromaticContact CZ2-CE1 3.56Å; W77-Y155 HydrophobicContact CZ2-CE1 3.56Å
78L95.7Very high92Very high0 Ų048.2 Ų48.20%022%0.219CC..Hα-helixtrans-57.5-43.7179.4177.564.7000112D74 F75 E81 L82 F126 I127 L130 C141 L142 F145D74-L78 PolarHBondContact O-N 2.89Å; F75-L78 PolarHBondContact O-N 2.85Å; L78-E81 PolarHBondContact O-N 3.44Å; L78-L82 HydrophobicContact CD1-CD1 3.97Å; L78-L82 HydrophobicContact CD1-CG 4.35Å; L78-L82 HydrophobicContact CG-CD1 4.11Å; L78-L82 WeakPolarHBondContact O-CG 3.25Å; L78-L82 PolarHBondContact O-N 2.84Å; L78-L82 VanDerWaalsContact O-N 3.13Å; L78-F126 HydrophobicContact CD2-CE1 4.43Å; L78-I127 HydrophobicContact CD2-CD1 3.73Å; L78-L130 HydrophobicContact CD2-CD2 3.6Å; L78-L130 HydrophobicContact CG-CD2 3.95Å; L78-C141 HydrophobicContact CD1-CB 4.16Å; L78-L142 HydrophobicContact CD2-CD1 4.21Å; L78-F145 HydrophobicContact CB-CD2 4.09Å; L78-F145 HydrophobicContact CB-CE2 4.5Å; L78-F145 HydrophobicContact CB-CG 4.49Å; L78-F145 HydrophobicContact CD1-CB 4.19Å; L78-F145 HydrophobicContact CD2-CB 4.13Å; L78-F145 HydrophobicContact CD2-CD1 3.82Å; L78-F145 HydrophobicContact CD2-CD2 4.05Å; L78-F145 HydrophobicContact CD2-CE1 4.25Å; L78-F145 HydrophobicContact CD2-CE2 4.45Å; L78-F145 HydrophobicContact CD2-CG 3.72Å; L78-F145 HydrophobicContact CG-CG 4.49Å
79K94.8Very high91.4Very high41 Ų4154.5 Ų54.518%0.17826%0.257CS..Hα-helixtrans-56.7-50.8175.4170.6170-174.5-63.20111.2F75 E76 W77 E81 L82 E83 V90 L93 F126F75-K79 WeakPolarHBondContact O-CB 3.43Å; F75-K79 PolarHBondContact O-N 2.95Å; E76-K79 PolarHBondContact O-N 2.76Å; W77-K79 VanDerWaalsContact C-N 3.3Å; W77-K79 PolarHBondContact O-N 2.89Å; K79-E81 PolarHBondContact O-N 3.08Å; K79-L82 PolarHBondContact O-N 2.98Å; K79-E83 VanDerWaalsContact CE-OE1 3.23Å; K79-E83 WeakPolarHBondContact CE-OE1 3.39Å; K79-E83 HydrophobicContact CG-CG 4.45Å; K79-E83 IonicContact NZ-OE1 2.71Å; K79-E83 PolarHBondContact NZ-OE1 3.35Å; K79-E83 IonicContact NZ-OE2 2.71Å; K79-E83 PolarHBondContact NZ-OE2 3.48Å; K79-E83 WeakPolarHBondContact O-CG 3.22Å; K79-E83 PolarHBondContact O-N 2.97Å; K79-V90 HydrophobicContact CB-CG1 4.2Å; K79-V90 HydrophobicContact CD-CG1 4.33Å; K79-V90 HydrophobicContact CG-CB 4.46Å; K79-V90 HydrophobicContact CG-CG1 3.76Å; K79-L93 HydrophobicContact CB-CD1 4.06Å; K79-L93 HydrophobicContact CD-CD1 3.74Å; K79-L93 HydrophobicContact CD-CG 3.94Å; K79-F126 HydrophobicContact CB-CE2 4.34Å; K79-F126 HydrophobicContact CB-CZ 3.99Å
80N93.4Very high91Very high88 Ų8851.3 Ų51.347%0.47125%0.246SC..Hα-helixtrans-65.2-37.7-177.2-65.5-19.8000112.5E76 W77 E83 R84E76-N80 PolarHBondContact O-N 3Å; E76-N80 PolarHBondContact O-ND2 2.98Å; E76-N80 PolarHBondContact O-OD1 3.11Å; W77-N80 PolarHBondContact O-N 2.92Å; W77-N80 VanDerWaalsContact O-N 3.11Å; N80-E83 PolarHBondContact O-N 3.45Å; N80-R84 WeakPolarHBondContact O-CB 3.47Å; N80-R84 PolarHBondContact O-N 3.29Å; N80-R84 VanDerWaalsContact O-N 3.1Å
81E92.8Very high90.7Very high22 Ų2252.1 Ų52.110%0.10325%0.252CS..Hα-helixtrans-62.2-45.2175.9-69.2-62118.700111.6W77 L78 K79 R84 D85 C141 Y155W77-E81 HydrophobicContact CD2-CG 4.02Å; W77-E81 VanDerWaalsContact CE2-CG 3.5Å; W77-E81 HydrophobicContact CG-CG 4.41Å; W77-E81 HydrophobicContact CH2-CG 4.24Å; W77-E81 HydrophobicContact CZ2-CG 3.66Å; W77-E81 WeakPolarHBondContact O-CG 3.4Å; W77-E81 PolarHBondContact O-N 3.38Å; L78-E81 PolarHBondContact O-N 3.44Å; K79-E81 PolarHBondContact O-N 3.08Å; E81-R84 VanDerWaalsContact CD-NH1 3.25Å; E81-R84 PolarHBondContact O-N 3.35Å; E81-R84 IonicContact OE1-CZ 3.2Å; E81-R84 IonicContact OE1-NH1 3.07Å; E81-R84 PolarHBondContact OE1-NH1 3.22Å; E81-R84 IonicContact OE1-NH2 2.95Å; E81-R84 IonicContact OE2-CZ 3.58Å; E81-R84 IonicContact OE2-NH1 2.7Å; E81-R84 PolarHBondContact OE2-NH1 3.24Å; E81-R84 IonicContact OE2-NH2 3.6Å; E81-R84 PolarHBondContact OE2-NH2 2.77Å; E81-D85 PolarHBondContact O-N 2.83Å; E81-D85 VanDerWaalsContact O-N 3.17Å; E81-C141 HydrophobicContact CB-CB 4.15Å; E81-Y155 VanDerWaalsContact OE2-CE1 3.25Å; E81-Y155 WeakPolarHBondContact OE2-CE1 3.32Å; E81-Y155 VanDerWaalsContact OE2-CZ 3.3Å; E81-Y155 PolarHBondContact OE2-OH 3.22Å
82L91.5Very high90.4Very high0 Ų053 Ų530%027%0.269CS..Hα-helixtrans-70.7-36.7179.4-70.1171.4000112.4L78 K79 R84 S86 V90 L130 E139 C141L78-L82 HydrophobicContact CD1-CD1 3.97Å; L78-L82 HydrophobicContact CD1-CG 4.35Å; L78-L82 HydrophobicContact CG-CD1 4.11Å; L78-L82 WeakPolarHBondContact O-CG 3.25Å; L78-L82 PolarHBondContact O-N 2.84Å; L78-L82 VanDerWaalsContact O-N 3.13Å; K79-L82 PolarHBondContact O-N 2.98Å; L82-R84 VanDerWaalsContact C-N 3.26Å; L82-R84 PolarHBondContact O-N 3.38Å; L82-S86 WeakPolarHBondContact CD2-OG 3.37Å; L82-S86 VanDerWaalsContact O-CA 3.29Å; L82-S86 WeakPolarHBondContact O-CA 3.5Å; L82-S86 WeakPolarHBondContact O-CB 3.23Å; L82-S86 PolarHBondContact O-N 2.93Å; L82-S86 VanDerWaalsContact O-O 3.12Å; L82-S86 PolarHBondContact O-OG 2.86Å; L82-V90 HydrophobicContact CB-CG2 3.87Å; L82-L130 HydrophobicContact CD1-CD1 3.53Å; L82-L130 HydrophobicContact CD1-CD2 3.44Å; L82-L130 VanDerWaalsContact CD1-CD2 3.44Å; L82-L130 HydrophobicContact CD1-CG 3.67Å; L82-E139 HydrophobicContact CD2-CB 3.71Å; L82-E139 HydrophobicContact CD2-CG 3.69Å; L82-C141 VanDerWaalsContact CD2-SG 3.54Å
83E91Very high90.3Very high90 Ų9053.2 Ų53.242%0.42127%0.271SS..Hα-helixtrans-66.2-28.8174.7-74.9-180151.700113K79 N80 V90K79-E83 VanDerWaalsContact CE-OE1 3.23Å; K79-E83 WeakPolarHBondContact CE-OE1 3.39Å; K79-E83 HydrophobicContact CG-CG 4.45Å; K79-E83 IonicContact NZ-OE1 2.71Å; K79-E83 PolarHBondContact NZ-OE1 3.35Å; K79-E83 IonicContact NZ-OE2 2.71Å; K79-E83 PolarHBondContact NZ-OE2 3.48Å; K79-E83 WeakPolarHBondContact O-CG 3.22Å; K79-E83 PolarHBondContact O-N 2.97Å; N80-E83 PolarHBondContact O-N 3.45Å; E83-V90 HydrophobicContact CG-CB 3.92Å; E83-V90 HydrophobicContact CG-CG2 3.63Å
84R87.1Confident90Very high130 Ų13052.7 Ų52.749%0.49127%0.267SS..Hα-helixtrans-76.5-50.3179.3-172.4-173.163.8-122.3-1.6112.1N80 E81 L82N80-R84 WeakPolarHBondContact O-CB 3.47Å; N80-R84 PolarHBondContact O-N 3.29Å; N80-R84 VanDerWaalsContact O-N 3.1Å; E81-R84 VanDerWaalsContact CD-NH1 3.25Å; E81-R84 PolarHBondContact O-N 3.35Å; E81-R84 IonicContact OE1-CZ 3.2Å; E81-R84 IonicContact OE1-NH1 3.07Å; E81-R84 PolarHBondContact OE1-NH1 3.22Å; E81-R84 IonicContact OE1-NH2 2.95Å; E81-R84 IonicContact OE2-CZ 3.58Å; E81-R84 IonicContact OE2-NH1 2.7Å; E81-R84 PolarHBondContact OE2-NH1 3.24Å; E81-R84 IonicContact OE2-NH2 3.6Å; E81-R84 PolarHBondContact OE2-NH2 2.77Å; L82-R84 VanDerWaalsContact C-N 3.26Å; L82-R84 PolarHBondContact O-N 3.38Å
85D76.3Confident89.2Confident75 Ų7554.3 Ų54.340%0.40129%0.289SS..Hα-helixtrans-103.7-18.6-167-63.1-20.6000112.9E81 P157E81-D85 PolarHBondContact O-N 2.83Å; E81-D85 VanDerWaalsContact O-N 3.17Å; D85-P157 VanDerWaalsContact OD2-CB 3.31Å; D85-P157 WeakPolarHBondContact OD2-CB 3.06Å
86S74.1Confident88.3Confident14 Ų1458.4 Ų58.410%0.09831%0.307CS..  trans-109139-177-46.30000111.9L82 I88 E139L82-S86 WeakPolarHBondContact CD2-OG 3.37Å; L82-S86 VanDerWaalsContact O-CA 3.29Å; L82-S86 WeakPolarHBondContact O-CA 3.5Å; L82-S86 WeakPolarHBondContact O-CB 3.23Å; L82-S86 PolarHBondContact O-N 2.93Å; L82-S86 VanDerWaalsContact O-O 3.12Å; L82-S86 PolarHBondContact O-OG 2.86Å; S86-I88 PolarHBondContact O-N 3.4Å; S86-E139 VanDerWaalsContact OG-CG 3.32Å; S86-E139 WeakPolarHBondContact OG-CG 3.49Å
87K83.3Confident87.7Confident207 Ų20757.6 Ų57.690%0.931%0.307SS*.  trans-75.932.6171.4-60.5-175.9179.9-177.70112.5
88I86.8Confident86.9Confident13 Ų1361.5 Ų61.57%0.06733%0.33CS..  trans-97.4135-173.3-60.1170000108.2S86 V90 L135 A136S86-I88 PolarHBondContact O-N 3.4Å; I88-V90 HydrophobicContact CG2-CG2 4.44Å; I88-V90 PolarHBondContact O-N 3.21Å; I88-V90 VanDerWaalsContact O-N 3.1Å; I88-L135 HydrophobicContact CD1-CB 3.53Å; I88-L135 HydrophobicContact CG1-CB 3.67Å; I88-L135 HydrophobicContact CG1-CD1 4.13Å; I88-A136 HydrophobicContact CD1-CB 3.73Å; I88-A136 VanDerWaalsContact CD1-N 3.25Å
89V85.9Confident86.1Confident140 Ų14069.6 Ų69.685%0.84837%0.365SS*.  trans-77.496.9167.6-178.20000107.4
90V89.1Confident85.5Confident13 Ų1370.6 Ų70.68%0.07937%0.368CS..PPolyproline II helixtrans-71.3129.3-176.8-176.80000109.6K79 L82 E83 I88 F126 L130K79-V90 HydrophobicContact CB-CG1 4.2Å; K79-V90 HydrophobicContact CD-CG1 4.33Å; K79-V90 HydrophobicContact CG-CB 4.46Å; K79-V90 HydrophobicContact CG-CG1 3.76Å; L82-V90 HydrophobicContact CB-CG2 3.87Å; E83-V90 HydrophobicContact CG-CB 3.92Å; E83-V90 HydrophobicContact CG-CG2 3.63Å; I88-V90 HydrophobicContact CG2-CG2 4.44Å; I88-V90 PolarHBondContact O-N 3.21Å; I88-V90 VanDerWaalsContact O-N 3.1Å; V90-F126 HydrophobicContact CG1-CE2 3.71Å; V90-F126 HydrophobicContact CG1-CZ 4.13Å; V90-L130 HydrophobicContact CG1-CD1 4.17Å
91P90.8Very high84.9Confident22 Ų2271.4 Ų71.414%0.14337%0.369CS..PPolyproline II helixtrans-57.4151.2176.7-23.633000112.1F126 R129P91-F126 HydrophobicContact CB-CD2 4.13Å; P91-F126 WeakPolarHBondContact O-CD2 3.21Å; P91-F126 VanDerWaalsContact O-CE2 3.31Å; P91-F126 WeakPolarHBondContact O-CE2 3.37Å; P91-R129 HydrophobicContact CG-CB 3.84Å
92P90.3Very high84.4Confident104 Ų10475.5 Ų75.568%0.67539%0.391SS*.PPolyproline II helixtrans-66.2141.3175.328.4-34.1000110.7
93L92.2Very high83.7Confident29 Ų2979.9 Ų79.915%0.15242%0.419CS..PPolyproline II helixtrans-76.2153.4168.9-74.9168.3000110.4Y72 F75 E76 K79 L123 F126Y72-L93 HydrophobicContact CE2-CB 4.42Å; F75-L93 HydrophobicContact CB-CD2 3.83Å; E76-L93 HydrophobicContact CB-CD1 4.32Å; E76-L93 HydrophobicContact CG-CD1 3.88Å; K79-L93 HydrophobicContact CB-CD1 4.06Å; K79-L93 HydrophobicContact CD-CD1 3.74Å; K79-L93 HydrophobicContact CD-CG 3.94Å; L93-L123 HydrophobicContact CD2-CD2 4.03Å; L93-F126 HydrophobicContact CD2-CB 4.29Å; L93-F126 HydrophobicContact CD2-CD1 3.64Å; L93-F126 HydrophobicContact CD2-CD2 3.57Å; L93-F126 HydrophobicContact CD2-CE1 3.77Å; L93-F126 HydrophobicContact CD2-CE2 3.69Å; L93-F126 HydrophobicContact CD2-CG 3.55Å; L93-F126 HydrophobicContact CD2-CZ 3.8Å; L93-F126 HydrophobicContact CG-CD2 4.05Å; L93-F126 HydrophobicContact CG-CE2 3.94Å; L93-F126 HydrophobicContact CG-CG 4.5Å; L93-F126 HydrophobicContact CG-CZ 4.31Å
94P89.8Confident83.2Confident25 Ų2585.6 Ų85.616%0.16244%0.443CS..SBendtrans-57.2142.1167.824.8-31.9000109.5Y72 K96 R119 L123Y72-P94 HydrophobicContact CE2-CG 4.23Å; Y72-P94 VanDerWaalsContact CE2-O 3.23Å; Y72-P94 WeakPolarHBondContact CE2-O 3.47Å; Y72-P94 PolarHBondContact OH-O 2.63Å; Y72-P94 VanDerWaalsContact OH-O 3.04Å; P94-K96 PolarHBondContact O-N 3.1Å; P94-R119 HydrophobicContact CG-CG 4.26Å; P94-L123 HydrophobicContact CG-CD2 3.79Å; P94-L123 HydrophobicContact CG-CG 3.9Å
95G81.3Confident83.1Confident55 Ų5584 Ų8457%0.56744%0.437SS*.PPolyproline II helixtrans-53.6138.5-169.200000113.7A97 R119G95-A97 PolarHBondContact O-N 2.9Å; G95-R119 PolarHBondContact O-NH2 2.82Å
96K77.2Confident83.2Confident86 Ų8685.1 Ų85.137%0.37447%0.466SS..  trans-57.5-18.6174.5-164.5167.3-166.1140.60113.1Y72 E76 P94 L98 R119Y72-K96 HydrophobicContact CE1-CB 4.24Å; Y72-K96 HydrophobicContact CE1-CG 4.01Å; E76-K96 VanDerWaalsContact CD-NZ 3.28Å; E76-K96 WeakPolarHBondContact OE1-CD 3.24Å; E76-K96 IonicContact OE1-NZ 2.64Å; E76-K96 PolarHBondContact OE1-NZ 3.23Å; E76-K96 IonicContact OE2-NZ 3.33Å; E76-K96 PolarHBondContact OE2-NZ 2.87Å; P94-K96 PolarHBondContact O-N 3.1Å; K96-L98 HydrophobicContact CD-CD2 4.17Å; K96-L98 HydrophobicContact CG-CD2 4.24Å; K96-L98 HydrophobicContact CG-CG 4.46Å; K96-L98 PolarHBondContact O-N 3.5Å; K96-R119 PolarHBondContact O-NH2 3.34Å
97A82.6Confident83.7Confident26 Ų2687.1 Ų87.122%0.21548%0.476CS..  trans52.347.9176.400000113.1G95 K99 R100 F115G95-A97 PolarHBondContact O-N 2.9Å; A97-K99 PolarHBondContact O-N 3.29Å; A97-K99 VanDerWaalsContact O-N 3.08Å; A97-R100 HydrophobicContact CB-CB 4.12Å; A97-R100 HydrophobicContact CB-CG 4.08Å; A97-R100 WeakPolarHBondContact O-CA 3.46Å; A97-R100 WeakPolarHBondContact O-CB 3.49Å; A97-R100 PolarHBondContact O-N 3.32Å; A97-F115 HydrophobicContact CB-CE1 4.45Å; A97-F115 HydrophobicContact CB-CE2 3.53Å; A97-F115 HydrophobicContact CB-CZ 3.36Å
98L78.2Confident83.6Confident112 Ų11283.3 Ų83.359%0.58646%0.461SS*.G310 helixtrans-51.6-34.9-179.6-68.2169.2000112.9K96 R100 Q101K96-L98 HydrophobicContact CD-CD2 4.17Å; K96-L98 HydrophobicContact CG-CD2 4.24Å; K96-L98 HydrophobicContact CG-CG 4.46Å; K96-L98 PolarHBondContact O-N 3.5Å; L98-R100 VanDerWaalsContact C-N 3.27Å; L98-R100 PolarHBondContact O-N 3.36Å; L98-Q101 WeakPolarHBondContact O-CB 3.45Å; L98-Q101 PolarHBondContact O-N 2.93Å; L98-Q101 VanDerWaalsContact O-N 3.12Å
99K80.2Confident83.5Confident169 Ų16982.9 Ų82.974%0.73546%0.46SS*.G310 helixtrans-64.5-28.4176-62.1-174-179.3-179.10113.6A97 Q101 R105A97-K99 PolarHBondContact O-N 3.29Å; A97-K99 VanDerWaalsContact O-N 3.08Å; K99-Q101 VanDerWaalsContact C-N 3.26Å; K99-R105 PolarHBondContact O-NH1 3.32Å
100R80.9Confident83.5Confident62 Ų6277.5 Ų77.523%0.23443%0.426CS..G310 helixtrans-78.7-9.8176.6-66.5-175.4176.9-102.99.1112.6A97 L98 G109 I110 E112 F115A97-R100 HydrophobicContact CB-CB 4.12Å; A97-R100 HydrophobicContact CB-CG 4.08Å; A97-R100 WeakPolarHBondContact O-CA 3.46Å; A97-R100 WeakPolarHBondContact O-CB 3.49Å; A97-R100 PolarHBondContact O-N 3.32Å; L98-R100 VanDerWaalsContact C-N 3.27Å; L98-R100 PolarHBondContact O-N 3.36Å; R100-G109 VanDerWaalsContact O-CA 3.29Å; R100-G109 WeakPolarHBondContact O-CA 3.34Å; R100-I110 HydrophobicContact CB-CG2 3.82Å; R100-I110 PolarHBondContact O-N 2.79Å; R100-E112 IonicContact CZ-OE2 2.75Å; R100-E112 IonicContact NH1-OE2 3.58Å; R100-E112 PolarHBondContact NH1-OE2 3.34Å; R100-F115 VanDerWaalsContact CD-CD2 3.44Å
101Q81.3Confident83.5Confident105 Ų10579 Ų7949%0.49143%0.432SS..G310 helixtrans-90.4-7.3174.6-62.5-177.4-7.400113.2L98 K99 I110L98-Q101 WeakPolarHBondContact O-CB 3.45Å; L98-Q101 PolarHBondContact O-N 2.93Å; L98-Q101 VanDerWaalsContact O-N 3.12Å; K99-Q101 VanDerWaalsContact C-N 3.26Å; Q101-I110 HydrophobicContact CG-CD1 4.39Å; Q101-I110 HydrophobicContact CG-CG2 3.65Å
102L83.4Confident83.5Confident109 Ų10980.9 Ų80.957%0.57144%0.438SS*.SBendtrans-67.5141.4179.3-70.1171.7000110.9R105L102-R105 WeakPolarHBondContact O-CD 3.4Å; L102-R105 WeakPolarHBondContact O-CG 3.49Å
103P76.3Confident83.5Confident92 Ų9283.9 Ų83.960%0.59744%0.443SS*.SBendtrans-70.3165.6176.330.9-34.9000111.7
104F81.3Confident83.5Confident210 Ų21085.6 Ų85.692%0.92146%0.458SS*.SBendtrans64.433.8175.5-45.8-74.1000115.1
105R83.1Confident83.5Confident97 Ų9784.8 Ų84.837%0.36645%0.452SS..  trans-81.3155.9170-64.4176.16280.310.3110.6K99 L102 D107K99-R105 PolarHBondContact O-NH1 3.32Å; L102-R105 WeakPolarHBondContact O-CD 3.4Å; L102-R105 WeakPolarHBondContact O-CG 3.49Å; R105-D107 WeakPolarHBondContact CB-OD1 3.33Å; R105-D107 IonicContact CZ-OD1 3.61Å; R105-D107 IonicContact CZ-OD2 3.25Å; R105-D107 IonicContact NE-OD1 2.73Å; R105-D107 PolarHBondContact NE-OD1 3.19Å; R105-D107 IonicContact NE-OD2 2.76Å; R105-D107 IonicContact NH2-OD1 2.7Å; R105-D107 PolarHBondContact NH2-OD1 3.19Å; R105-D107 IonicContact NH2-OD2 2.94Å; R105-D107 PolarHBondContact NH2-OD2 3.03Å
106G79.2Confident84.1Confident98 Ų9883 Ų83100%1.0143%0.429SS*.SBendtrans-82-0.5171.800000114.1
107D83.8Confident84.9Confident56 Ų5683 Ų8330%0.29943%0.43SS..SBendtrans-124171.8176.861.624.5000110.7R105 G109R105-D107 WeakPolarHBondContact CB-OD1 3.33Å; R105-D107 IonicContact CZ-OD1 3.61Å; R105-D107 IonicContact CZ-OD2 3.25Å; R105-D107 IonicContact NE-OD1 2.73Å; R105-D107 PolarHBondContact NE-OD1 3.19Å; R105-D107 IonicContact NE-OD2 2.76Å; R105-D107 IonicContact NH2-OD1 2.7Å; R105-D107 PolarHBondContact NH2-OD1 3.19Å; R105-D107 IonicContact NH2-OD2 2.94Å; R105-D107 PolarHBondContact NH2-OD2 3.03Å; D107-G109 PolarHBondContact O-N 3.01Å; D107-G109 VanDerWaalsContact O-N 3.14Å; D107-G109 WeakPolarHBondContact OD1-CA 3.38Å; D107-G109 PolarHBondContact OD1-N 3.13Å
108E81.7Confident85.5Confident127 Ų12787.5 Ų87.559%0.59345%0.447SS*.  trans-75.710.6176.2-67.7-63.5140.100113.2I110 F111E108-I110 PolarHBondContact O-N 3.47Å; E108-I110 VanDerWaalsContact O-N 3.1Å; E108-F111 HydrophobicContact CB-CB 4.28Å; E108-F111 PolarHBondContact O-N 3.31Å
109G86.1Confident86.3Confident3 Ų383 Ų833%0.03142%0.422CS..G310 helixtrans59.4-111.4173.800000113.6R100 D107 F111R100-G109 VanDerWaalsContact O-CA 3.29Å; R100-G109 WeakPolarHBondContact O-CA 3.34Å; D107-G109 PolarHBondContact O-N 3.01Å; D107-G109 VanDerWaalsContact O-N 3.14Å; D107-G109 WeakPolarHBondContact OD1-CA 3.38Å; D107-G109 PolarHBondContact OD1-N 3.13Å; G109-F111 VanDerWaalsContact C-N 3.28Å
110I85.5Confident87.1Confident28 Ų2876.8 Ų76.814%0.14439%0.394CS..G310 helixtrans-79.8-8.1178.562.7168.1000113.8R100 Q101 E108 F115R100-I110 HydrophobicContact CB-CG2 3.82Å; R100-I110 PolarHBondContact O-N 2.79Å; Q101-I110 HydrophobicContact CG-CD1 4.39Å; Q101-I110 HydrophobicContact CG-CG2 3.65Å; E108-I110 PolarHBondContact O-N 3.47Å; E108-I110 VanDerWaalsContact O-N 3.1Å; I110-F115 HydrophobicContact CB-CD1 4.32Å; I110-F115 HydrophobicContact CB-CE1 3.95Å; I110-F115 HydrophobicContact CG2-CE1 4.03Å; I110-F115 WeakPolarHBondContact O-CD1 3.29Å
111F87.8Confident87.8Confident45 Ų4576 Ų7620%0.19740%0.396CS..G310 helixtrans-103.43.7178.7-53-72000112.4T39 R46 E108 G109 E113T39-F111 HydrophobicContact CG2-CD1 3.79Å; T39-F111 HydrophobicContact CG2-CE1 3.75Å; R46-F111 HydrophobicContact CB-CE1 3.79Å; R46-F111 HydrophobicContact CB-CE2 4.39Å; R46-F111 HydrophobicContact CB-CZ 3.5Å; E108-F111 HydrophobicContact CB-CB 4.28Å; E108-F111 PolarHBondContact O-N 3.31Å; G109-F111 VanDerWaalsContact C-N 3.28Å; F111-E113 PolarHBondContact O-N 3.47Å
112E91.2Very high88.5Confident61 Ų6171.9 Ų71.929%0.28538%0.381SS..  trans-64131172.2-166.5-167.717000109.9R100 S114 F115 I116R100-E112 IonicContact CZ-OE2 2.75Å; R100-E112 IonicContact NH1-OE2 3.58Å; R100-E112 PolarHBondContact NH1-OE2 3.34Å; E112-S114 VanDerWaalsContact C-N 3.31Å; E112-S114 WeakPolarHBondContact CG-OG 3.21Å; E112-S114 PolarHBondContact O-N 3.34Å; E112-S114 PolarHBondContact OE1-OG 3.04Å; E112-S114 PolarHBondContact OE2-OG 3.44Å; E112-F115 HydrophobicContact CB-CB 4.15Å; E112-F115 WeakPolarHBondContact O-CB 3.48Å; E112-F115 PolarHBondContact O-N 2.96Å; E112-F115 VanDerWaalsContact O-N 3.07Å; E112-I116 WeakPolarHBondContact O-CG1 3.42Å; E112-I116 PolarHBondContact O-N 3.49Å
113E90.8Very high89.2Confident167 Ų16766.7 Ų66.778%0.7835%0.354SS*.Hα-helixtrans-59.2-41.3-175.8-173.7173.3-165.400112.5F111 F115 I116 E117F111-E113 PolarHBondContact O-N 3.47Å; E113-F115 VanDerWaalsContact C-N 3.26Å; E113-F115 PolarHBondContact O-N 3.35Å; E113-I116 PolarHBondContact O-N 2.96Å; E113-E117 PolarHBondContact O-N 2.91Å
114S91Very high90.2Very high65 Ų6564.5 Ų64.546%0.45534%0.336SS..Hα-helixtrans-57.1-41175.967.50000111.9E112 E118E112-S114 VanDerWaalsContact C-N 3.31Å; E112-S114 WeakPolarHBondContact CG-OG 3.21Å; E112-S114 PolarHBondContact O-N 3.34Å; E112-S114 PolarHBondContact OE1-OG 3.04Å; E112-S114 PolarHBondContact OE2-OG 3.44Å; S114-E118 WeakPolarHBondContact O-CB 3.49Å; S114-E118 PolarHBondContact O-N 3.27Å
115F91.5Very high90.9Very high8 Ų859 Ų594%0.03531%0.313CS..Hα-helixtrans-74.6-39179.4177.1-105.7000112.3A97 R100 I110 E112 E113 E117 R119A97-F115 HydrophobicContact CB-CE1 4.45Å; A97-F115 HydrophobicContact CB-CE2 3.53Å; A97-F115 HydrophobicContact CB-CZ 3.36Å; R100-F115 VanDerWaalsContact CD-CD2 3.44Å; I110-F115 HydrophobicContact CB-CD1 4.32Å; I110-F115 HydrophobicContact CB-CE1 3.95Å; I110-F115 HydrophobicContact CG2-CE1 4.03Å; I110-F115 WeakPolarHBondContact O-CD1 3.29Å; E112-F115 HydrophobicContact CB-CB 4.15Å; E112-F115 WeakPolarHBondContact O-CB 3.48Å; E112-F115 PolarHBondContact O-N 2.96Å; E112-F115 VanDerWaalsContact O-N 3.07Å; E113-F115 VanDerWaalsContact C-N 3.26Å; E113-F115 PolarHBondContact O-N 3.35Å; F115-E117 VanDerWaalsContact C-N 3.29Å; F115-E117 PolarHBondContact O-N 2.8Å; F115-R119 VanDerWaalsContact CE1-CZ 3.43Å; F115-R119 VanDerWaalsContact CZ-CZ 3.44Å; F115-R119 VanDerWaalsContact O-CB 3.26Å; F115-R119 WeakPolarHBondContact O-CB 3.46Å; F115-R119 PolarHBondContact O-N 3.06Å
116I93.6Very high91.6Very high18 Ų1854.6 Ų54.69%0.09230%0.297CS..Hα-helixtrans-59.7-44.2175-72.1172.7000109.9P37 T48 Y50 E112 E113 R119 R120P37-I116 HydrophobicContact CB-CG2 3.28Å; P37-I116 HydrophobicContact CG-CG2 3.67Å; T48-I116 HydrophobicContact CG2-CD1 4.32Å; T48-I116 HydrophobicContact CG2-CG1 4.4Å; T48-I116 HydrophobicContact CG2-CG2 4.29Å; Y50-I116 HydrophobicContact CE1-CG2 4.08Å; E112-I116 WeakPolarHBondContact O-CG1 3.42Å; E112-I116 PolarHBondContact O-N 3.49Å; E113-I116 PolarHBondContact O-N 2.96Å; I116-R119 PolarHBondContact O-N 3.35Å; I116-R120 WeakPolarHBondContact O-CB 3.28Å; I116-R120 PolarHBondContact O-N 3.41Å
117E94.4Very high92.4Very high84 Ų8449.9 Ų49.939%0.39325%0.248SC..Hα-helixtrans-69.6-45.2179.1-178.155.1-15600112.3E113 F115 R119 R120 V121E113-E117 PolarHBondContact O-N 2.91Å; F115-E117 VanDerWaalsContact C-N 3.29Å; F115-E117 PolarHBondContact O-N 2.8Å; E117-R119 VanDerWaalsContact C-N 3.25Å; E117-R119 PolarHBondContact O-N 2.69Å; E117-R120 VanDerWaalsContact CD-NE 3.25Å; E117-R120 WeakPolarHBondContact O-CB 3.33Å; E117-R120 PolarHBondContact O-N 3.04Å; E117-R120 VanDerWaalsContact O-N 3.1Å; E117-R120 IonicContact OE1-CZ 3.51Å; E117-R120 VanDerWaalsContact OE1-CZ 3.29Å; E117-R120 IonicContact OE1-NE 3.69Å; E117-R120 PolarHBondContact OE1-NE 3.15Å; E117-R120 IonicContact OE1-NH2 3.91Å; E117-R120 PolarHBondContact OE1-NH2 3.41Å; E117-R120 VanDerWaalsContact OE2-CD 3.31Å; E117-R120 WeakPolarHBondContact OE2-CD 3.46Å; E117-R120 IonicContact OE2-CZ 3.89Å; E117-R120 IonicContact OE2-NE 2.96Å; E117-R120 PolarHBondContact OE2-NE 2.77Å; E117-V121 WeakPolarHBondContact O-CG2 3.21Å; E117-V121 PolarHBondContact O-N 3.18Å
118E93.8Very high93Very high122 Ų12249.8 Ų49.857%0.5725%0.248SC*.Hα-helixtrans-54.1-45.8173.4-175-166.515800110.9S114 G122S114-E118 WeakPolarHBondContact O-CB 3.49Å; S114-E118 PolarHBondContact O-N 3.27Å; E118-G122 PolarHBondContact O-N 2.99Å; E118-G122 VanDerWaalsContact O-N 3.1Å
119R95.3Very high93.6Very high18 Ų1851 Ų517%0.06825%0.247CC..Hα-helixtrans-65.6-43.8176.7177175-78.5175.8-8.4111.7Y50 Y72 P94 G95 K96 F115 I116 E117 V121 G122 L123Y50-R119 WeakPolarHBondContact OH-CD 3.41Å; Y50-R119 WeakPolarHBondContact OH-CG 3.43Å; Y72-R119 HydrophobicContact CD2-CG 4.39Å; P94-R119 HydrophobicContact CG-CG 4.26Å; G95-R119 PolarHBondContact O-NH2 2.82Å; K96-R119 PolarHBondContact O-NH2 3.34Å; F115-R119 VanDerWaalsContact CE1-CZ 3.43Å; F115-R119 VanDerWaalsContact CZ-CZ 3.44Å; F115-R119 VanDerWaalsContact O-CB 3.26Å; F115-R119 WeakPolarHBondContact O-CB 3.46Å; F115-R119 PolarHBondContact O-N 3.06Å; I116-R119 PolarHBondContact O-N 3.35Å; E117-R119 VanDerWaalsContact C-N 3.25Å; E117-R119 PolarHBondContact O-N 2.69Å; R119-V121 PolarHBondContact O-N 3.03Å; R119-G122 PolarHBondContact O-N 3.27Å; R119-L123 HydrophobicContact CG-CD1 3.87Å; R119-L123 HydrophobicContact CG-CG 4.12Å; R119-L123 WeakPolarHBondContact O-CB 3.23Å; R119-L123 VanDerWaalsContact O-CG 3.25Å; R119-L123 WeakPolarHBondContact O-CG 3.4Å; R119-L123 PolarHBondContact O-N 2.95Å
120R96.6Very high94Very high38 Ų3851 Ų5114%0.14325%0.246CC..Hα-helixtrans-56.4-50.8178.8-173.8-15368.170.9-1.7110.8V34 Y50 I116 E117 G122 L123 E124V34-R120 HydrophobicContact CB-CG 4.37Å; V34-R120 HydrophobicContact CG1-CG 4.06Å; V34-R120 WeakPolarHBondContact O-CD 3.45Å; V34-R120 WeakPolarHBondContact O-CG 3.33Å; V34-R120 PolarHBondContact O-NH1 2.99Å; Y50-R120 HydrophobicContact CD1-CB 4.26Å; Y50-R120 HydrophobicContact CD1-CG 4.14Å; Y50-R120 HydrophobicContact CE1-CB 3.95Å; Y50-R120 HydrophobicContact CE1-CG 4.33Å; I116-R120 WeakPolarHBondContact O-CB 3.28Å; I116-R120 PolarHBondContact O-N 3.41Å; E117-R120 VanDerWaalsContact CD-NE 3.25Å; E117-R120 WeakPolarHBondContact O-CB 3.33Å; E117-R120 PolarHBondContact O-N 3.04Å; E117-R120 VanDerWaalsContact O-N 3.1Å; E117-R120 IonicContact OE1-CZ 3.51Å; E117-R120 VanDerWaalsContact OE1-CZ 3.29Å; E117-R120 IonicContact OE1-NE 3.69Å; E117-R120 PolarHBondContact OE1-NE 3.15Å; E117-R120 IonicContact OE1-NH2 3.91Å; E117-R120 PolarHBondContact OE1-NH2 3.41Å; E117-R120 VanDerWaalsContact OE2-CD 3.31Å; E117-R120 WeakPolarHBondContact OE2-CD 3.46Å; E117-R120 IonicContact OE2-CZ 3.89Å; E117-R120 IonicContact OE2-NE 2.96Å; E117-R120 PolarHBondContact OE2-NE 2.77Å; R120-G122 VanDerWaalsContact C-N 3.33Å; R120-G122 PolarHBondContact O-N 3.33Å; R120-L123 PolarHBondContact O-N 3.23Å; R120-E124 IonicContact NH1-OE1 2.89Å; R120-E124 IonicContact NH1-OE2 2.66Å; R120-E124 PolarHBondContact NH1-OE2 2.66Å; R120-E124 WeakPolarHBondContact O-CB 3.42Å; R120-E124 PolarHBondContact O-N 3.14Å
121V96.4Very high94.4Very high46 Ų4649.6 Ų49.628%0.27924%0.239SC..Hα-helixtrans-57.5-45.8176.1174.80000111E117 R119 L123 E124 Q125E117-V121 WeakPolarHBondContact O-CG2 3.21Å; E117-V121 PolarHBondContact O-N 3.18Å; R119-V121 PolarHBondContact O-N 3.03Å; V121-L123 PolarHBondContact O-N 3.42Å; V121-E124 PolarHBondContact O-N 3.27Å; V121-Q125 WeakPolarHBondContact O-CG 3.34Å; V121-Q125 PolarHBondContact O-N 3.33Å
122G96.6Very high94.6Very high17 Ų1749.7 Ų49.718%0.17525%0.252CS..Hα-helixtrans-64.1-38.9178.700000113.5E118 R119 R120 F126E118-G122 PolarHBondContact O-N 2.99Å; E118-G122 VanDerWaalsContact O-N 3.1Å; R119-G122 PolarHBondContact O-N 3.27Å; R120-G122 VanDerWaalsContact C-N 3.33Å; R120-G122 PolarHBondContact O-N 3.33Å; G122-F126 WeakPolarHBondContact O-CB 3.49Å; G122-F126 PolarHBondContact O-N 3.15Å
123L97.6Very high94.7Very high0 Ų050.1 Ų50.10%025%0.254CS..Hα-helixtrans-67.7-40.4176.6-70.5177.4000111.7Y50 Y72 F75 L93 P94 R119 R120 V121 F126 I127Y50-L123 HydrophobicContact CD2-CD1 3.84Å; Y50-L123 HydrophobicContact CE2-CD1 3.65Å; Y72-L123 HydrophobicContact CD2-CD2 4Å; Y72-L123 HydrophobicContact CE2-CD2 4.38Å; F75-L123 HydrophobicContact CB-CD2 3.97Å; F75-L123 HydrophobicContact CD1-CB 4.47Å; F75-L123 HydrophobicContact CD1-CD2 3.8Å; F75-L123 HydrophobicContact CD2-CD1 4.18Å; F75-L123 HydrophobicContact CD2-CD2 3.93Å; F75-L123 HydrophobicContact CE1-CB 4.01Å; F75-L123 HydrophobicContact CE1-CD2 4.16Å; F75-L123 HydrophobicContact CE2-CD1 3.95Å; F75-L123 HydrophobicContact CE2-CD2 4.31Å; F75-L123 HydrophobicContact CG-CD2 3.66Å; F75-L123 HydrophobicContact CZ-CB 4.06Å; F75-L123 HydrophobicContact CZ-CD1 4.27Å; F75-L123 HydrophobicContact CZ-CD2 4.41Å; F75-L123 HydrophobicContact CZ-CG 4.48Å; L93-L123 HydrophobicContact CD2-CD2 4.03Å; P94-L123 HydrophobicContact CG-CD2 3.79Å; P94-L123 HydrophobicContact CG-CG 3.9Å; R119-L123 HydrophobicContact CG-CD1 3.87Å; R119-L123 HydrophobicContact CG-CG 4.12Å; R119-L123 WeakPolarHBondContact O-CB 3.23Å; R119-L123 VanDerWaalsContact O-CG 3.25Å; R119-L123 WeakPolarHBondContact O-CG 3.4Å; R119-L123 PolarHBondContact O-N 2.95Å; R120-L123 PolarHBondContact O-N 3.23Å; V121-L123 PolarHBondContact O-N 3.42Å; L123-F126 WeakPolarHBondContact O-CB 3.43Å; L123-F126 PolarHBondContact O-N 3.11Å; L123-I127 WeakPolarHBondContact O-CG2 3.26Å; L123-I127 PolarHBondContact O-N 3.47Å
124E97.5Very high94.7Very high47 Ų4746.1 Ų46.122%0.2224%0.243CC..Hα-helixtrans-62.1-47.3175.1-169.9175.492.900111.6V34 R120 V121 F126 I127 N128V34-E124 HydrophobicContact CB-CB 4.02Å; V34-E124 HydrophobicContact CB-CG 4.46Å; V34-E124 HydrophobicContact CG2-CB 3.95Å; V34-E124 HydrophobicContact CG2-CG 4.31Å; V34-E124 PolarHBondContact N-OE2 2.55Å; R120-E124 IonicContact NH1-OE1 2.89Å; R120-E124 IonicContact NH1-OE2 2.66Å; R120-E124 PolarHBondContact NH1-OE2 2.66Å; R120-E124 WeakPolarHBondContact O-CB 3.42Å; R120-E124 PolarHBondContact O-N 3.14Å; V121-E124 PolarHBondContact O-N 3.27Å; E124-F126 VanDerWaalsContact C-N 3.32Å; E124-F126 PolarHBondContact O-N 2.79Å; E124-I127 WeakPolarHBondContact O-CG2 3.07Å; E124-I127 PolarHBondContact O-N 3.33Å; E124-N128 WeakPolarHBondContact O-CB 3.47Å; E124-N128 PolarHBondContact O-N 3.22Å; E124-N128 PolarHBondContact O-ND2 3.46Å
125Q96.3Very high94.7Very high95 Ų9547.1 Ų47.144%0.44424%0.243SC..Hα-helixtrans-61.9-41176-71178.818.100112V121 R129V121-Q125 WeakPolarHBondContact O-CG 3.34Å; V121-Q125 PolarHBondContact O-N 3.33Å; Q125-R129 WeakPolarHBondContact O-CB 3.34Å; Q125-R129 VanDerWaalsContact O-CG 3.27Å; Q125-R129 WeakPolarHBondContact O-CG 3.27Å; Q125-R129 PolarHBondContact O-N 3.44Å
126F96.6Very high94.8Very high3 Ų346.8 Ų46.81%0.01324%0.241CC..Hα-helixtrans-59.9-52.8177167-91.7000111.3F75 L78 K79 V90 P91 L93 G122 L123 E124 R129 L130F75-F126 AromaticContact CD1-CD1 3.85Å; F75-F126 HydrophobicContact CD1-CD1 3.85Å; F75-F126 HydrophobicContact CD1-CE1 4.04Å; L78-F126 HydrophobicContact CD2-CE1 4.43Å; K79-F126 HydrophobicContact CB-CE2 4.34Å; K79-F126 HydrophobicContact CB-CZ 3.99Å; V90-F126 HydrophobicContact CG1-CE2 3.71Å; V90-F126 HydrophobicContact CG1-CZ 4.13Å; P91-F126 HydrophobicContact CB-CD2 4.13Å; P91-F126 WeakPolarHBondContact O-CD2 3.21Å; P91-F126 VanDerWaalsContact O-CE2 3.31Å; P91-F126 WeakPolarHBondContact O-CE2 3.37Å; L93-F126 HydrophobicContact CD2-CB 4.29Å; L93-F126 HydrophobicContact CD2-CD1 3.64Å; L93-F126 HydrophobicContact CD2-CD2 3.57Å; L93-F126 HydrophobicContact CD2-CE1 3.77Å; L93-F126 HydrophobicContact CD2-CE2 3.69Å; L93-F126 HydrophobicContact CD2-CG 3.55Å; L93-F126 HydrophobicContact CD2-CZ 3.8Å; L93-F126 HydrophobicContact CG-CD2 4.05Å; L93-F126 HydrophobicContact CG-CE2 3.94Å; L93-F126 HydrophobicContact CG-CG 4.5Å; L93-F126 HydrophobicContact CG-CZ 4.31Å; G122-F126 WeakPolarHBondContact O-CB 3.49Å; G122-F126 PolarHBondContact O-N 3.15Å; L123-F126 WeakPolarHBondContact O-CB 3.43Å; L123-F126 PolarHBondContact O-N 3.11Å; E124-F126 VanDerWaalsContact C-N 3.32Å; E124-F126 PolarHBondContact O-N 2.79Å; F126-R129 PolarHBondContact O-N 3.11Å; F126-L130 HydrophobicContact CE1-CD2 3.79Å; F126-L130 HydrophobicContact CZ-CD2 3.72Å; F126-L130 WeakPolarHBondContact O-CB 3.25Å; F126-L130 PolarHBondContact O-N 3.32Å
127I97.4Very high94.7Very high0 Ų047.3 Ų47.30%024%0.243CC..Hα-helixtrans-70.7-36-173.9-166.860.2000112.2I32 V34 F75 L78 L123 E124 L130 A131 L142 F145 L146I32-I127 HydrophobicContact CB-CG2 4.22Å; I32-I127 HydrophobicContact CD1-CG1 4.01Å; I32-I127 HydrophobicContact CG2-CG1 4.24Å; I32-I127 HydrophobicContact CG2-CG2 3.65Å; V34-I127 HydrophobicContact CG2-CG2 4.11Å; F75-I127 HydrophobicContact CE1-CB 4.19Å; L78-I127 HydrophobicContact CD2-CD1 3.73Å; L123-I127 WeakPolarHBondContact O-CG2 3.26Å; L123-I127 PolarHBondContact O-N 3.47Å; E124-I127 WeakPolarHBondContact O-CG2 3.07Å; E124-I127 PolarHBondContact O-N 3.33Å; I127-L130 HydrophobicContact CD1-CD2 4.38Å; I127-L130 PolarHBondContact O-N 3.32Å; I127-A131 VanDerWaalsContact O-CB 3.23Å; I127-A131 WeakPolarHBondContact O-CB 3.26Å; I127-A131 PolarHBondContact O-N 3.2Å; I127-L142 HydrophobicContact CD1-CD1 4.04Å; I127-F145 HydrophobicContact CD1-CD1 3.92Å; I127-F145 HydrophobicContact CD1-CE1 3.78Å; I127-F145 HydrophobicContact CG1-CE1 4.19Å; I127-L146 HydrophobicContact CD1-CD2 4.15Å; I127-L146 HydrophobicContact CG1-CD2 3.93Å
128N96.1Very high94.6Very high54 Ų5446.3 Ų46.329%0.28924%0.24SC..Hα-helixtrans-63.5-45175.3-82.7-72.9000111.9I32 E124 L130 G132I32-N128 PolarHBondContact N-OD1 3.48Å; I32-N128 PolarHBondContact O-ND2 2.96Å; E124-N128 WeakPolarHBondContact O-CB 3.47Å; E124-N128 PolarHBondContact O-N 3.22Å; E124-N128 PolarHBondContact O-ND2 3.46Å; N128-L130 VanDerWaalsContact C-N 3.3Å; N128-L130 PolarHBondContact O-N 3.23Å; N128-G132 PolarHBondContact O-N 3.03Å
129R94.2Very high94.6Very high152 Ų15241.4 Ų41.457%0.57422%0.218SC*.Hα-helixtrans-62.3-40.3176.5-72.5178-165.3171.89.4111.9P91 Q125 F126P91-R129 HydrophobicContact CG-CB 3.84Å; Q125-R129 WeakPolarHBondContact O-CB 3.34Å; Q125-R129 VanDerWaalsContact O-CG 3.27Å; Q125-R129 WeakPolarHBondContact O-CG 3.27Å; Q125-R129 PolarHBondContact O-N 3.44Å; F126-R129 PolarHBondContact O-N 3.11Å
130L94.4Very high94.6Very high2 Ų245.6 Ų45.61%0.0123%0.233CC..Hα-helixtrans-70.2-50-178.6-167.364.3000111.6L78 L82 V90 F126 I127 N128 G132 H133 A136L78-L130 HydrophobicContact CD2-CD2 3.6Å; L78-L130 HydrophobicContact CG-CD2 3.95Å; L82-L130 HydrophobicContact CD1-CD1 3.53Å; L82-L130 HydrophobicContact CD1-CD2 3.44Å; L82-L130 VanDerWaalsContact CD1-CD2 3.44Å; L82-L130 HydrophobicContact CD1-CG 3.67Å; V90-L130 HydrophobicContact CG1-CD1 4.17Å; F126-L130 HydrophobicContact CE1-CD2 3.79Å; F126-L130 HydrophobicContact CZ-CD2 3.72Å; F126-L130 WeakPolarHBondContact O-CB 3.25Å; F126-L130 PolarHBondContact O-N 3.32Å; I127-L130 HydrophobicContact CD1-CD2 4.38Å; I127-L130 PolarHBondContact O-N 3.32Å; N128-L130 VanDerWaalsContact C-N 3.3Å; N128-L130 PolarHBondContact O-N 3.23Å; L130-G132 VanDerWaalsContact C-N 3.27Å; L130-G132 PolarHBondContact O-N 3.18Å; L130-H133 VanDerWaalsContact O-CB 3.28Å; L130-H133 WeakPolarHBondContact O-CB 3.45Å; L130-H133 PolarHBondContact O-N 3.13Å; L130-A136 HydrophobicContact CD1-CB 4.35Å; L130-A136 HydrophobicContact CG-CB 4.4Å; L130-A136 VanDerWaalsContact O-CB 3.24Å; L130-A136 WeakPolarHBondContact O-CB 3.18Å
131A94.4Very high94.5Very high0 Ų043.9 Ų43.90%023%0.227CC..Hα-helixtrans-71.2-23.8-177.200000112.7L30 I32 I127 H133 Q137 L142 L146L30-A131 HydrophobicContact CD2-CB 3.74Å; L30-A131 WeakPolarHBondContact CD2-O 3.28Å; I32-A131 HydrophobicContact CD1-CB 3.4Å; I32-A131 VanDerWaalsContact CD1-CB 3.4Å; I127-A131 VanDerWaalsContact O-CB 3.23Å; I127-A131 WeakPolarHBondContact O-CB 3.26Å; I127-A131 PolarHBondContact O-N 3.2Å; A131-H133 PolarHBondContact O-N 3.46Å; A131-Q137 WeakPolarHBondContact O-CG 3.39Å; A131-Q137 PolarHBondContact O-NE2 3.38Å; A131-L142 HydrophobicContact CB-CD1 4.29Å; A131-L142 HydrophobicContact CB-CD2 4.24Å; A131-L146 HydrophobicContact CB-CD1 4.27Å
132G91.9Very high94.4Very high46 Ų4641.7 Ų41.747%0.47421%0.214SC..THydrogen-bonded Turntrans-71.4-13.2169.300000114.3N128 L130 P134N128-G132 PolarHBondContact O-N 3.03Å; L130-G132 VanDerWaalsContact C-N 3.27Å; L130-G132 PolarHBondContact O-N 3.18Å; G132-P134 WeakPolarHBondContact O-CD 3.36Å
133H92.8Very high94.4Very high71 Ų7141.7 Ų41.733%0.32921%0.209SC..SBendtrans-84120.6-176.5-165.3-74.3000111.6L130 A131 L135 A136 Q137L130-H133 VanDerWaalsContact O-CB 3.28Å; L130-H133 WeakPolarHBondContact O-CB 3.45Å; L130-H133 PolarHBondContact O-N 3.13Å; A131-H133 PolarHBondContact O-N 3.46Å; H133-L135 VanDerWaalsContact C-N 3.27Å; H133-L135 WeakPolarHBondContact ND1-CB 3.48Å; H133-L135 PolarHBondContact ND1-N 2.94Å; H133-L135 PolarHBondContact O-N 3.32Å; H133-L135 VanDerWaalsContact O-N 3.13Å; H133-A136 HydrophobicContact CB-CB 4.11Å; H133-A136 WeakPolarHBondContact O-CB 3.39Å; H133-A136 PolarHBondContact O-N 2.82Å; H133-Q137 WeakPolarHBondContact O-CG 3.48Å; H133-Q137 PolarHBondContact O-N 3.03Å
134P90.8Very high94.3Very high83 Ų8341.9 Ų41.954%0.53921%0.211SC..Hα-helixtrans-57.7-35.2-174.9-27.434.9000114.5G132 N138G132-P134 WeakPolarHBondContact O-CD 3.36Å; P134-N138 PolarHBondContact O-ND2 3.42Å
135L90.9Very high94.3Very high86 Ų8639.7 Ų39.745%0.4520%0.2SC..Hα-helixtrans-67.3-38.3175.2-61.7-178.5000112.1I88 H133 N138I88-L135 HydrophobicContact CD1-CB 3.53Å; I88-L135 HydrophobicContact CG1-CB 3.67Å; I88-L135 HydrophobicContact CG1-CD1 4.13Å; H133-L135 VanDerWaalsContact C-N 3.27Å; H133-L135 WeakPolarHBondContact ND1-CB 3.48Å; H133-L135 PolarHBondContact ND1-N 2.94Å; H133-L135 PolarHBondContact O-N 3.32Å; H133-L135 VanDerWaalsContact O-N 3.13Å; L135-N138 PolarHBondContact O-N 3.01Å
136A92.6Very high94.4Very high0 Ų035.1 Ų35.10%018%0.179CC..Hα-helixtrans-71.8-34.5179.600000111I88 L130 H133 N138 E139 L142I88-A136 HydrophobicContact CD1-CB 3.73Å; I88-A136 VanDerWaalsContact CD1-N 3.25Å; L130-A136 HydrophobicContact CD1-CB 4.35Å; L130-A136 HydrophobicContact CG-CB 4.4Å; L130-A136 VanDerWaalsContact O-CB 3.24Å; L130-A136 WeakPolarHBondContact O-CB 3.18Å; H133-A136 HydrophobicContact CB-CB 4.11Å; H133-A136 WeakPolarHBondContact O-CB 3.39Å; H133-A136 PolarHBondContact O-N 2.82Å; A136-N138 PolarHBondContact O-N 3.43Å; A136-E139 WeakPolarHBondContact O-CB 3.13Å; A136-E139 PolarHBondContact O-N 3.04Å; A136-L142 HydrophobicContact CB-CD2 4.29Å; A136-L142 WeakPolarHBondContact O-CD2 3.28Å
137Q93Very high94.4Very high30 Ų3036 Ų3614%0.1418%0.183CC..Hα-helixtrans-59-25.8174.1-66.9179.1-6.300113I60 F61 A131 H133 E139 H143I60-Q137 HydrophobicContact CD1-CB 3.96Å; I60-Q137 WeakPolarHBondContact CD1-O 3.46Å; I60-Q137 HydrophobicContact CG2-CB 4.33Å; F61-Q137 HydrophobicContact CE2-CG 4.49Å; F61-Q137 HydrophobicContact CZ-CG 4.38Å; A131-Q137 WeakPolarHBondContact O-CG 3.39Å; A131-Q137 PolarHBondContact O-NE2 3.38Å; H133-Q137 WeakPolarHBondContact O-CG 3.48Å; H133-Q137 PolarHBondContact O-N 3.03Å; Q137-E139 VanDerWaalsContact C-N 3.34Å; Q137-H143 PolarHBondContact O-NE2 2.7Å
138N92.2Very high94.3Very high62 Ų6239.7 Ų39.733%0.33220%0.203SC..THydrogen-bonded Turntrans-81.1-12.3176.2-68.9-47.8000113.5I60 P134 L135 A136 K159 V160I60-N138 WeakPolarHBondContact CD1-OD1 3.2Å; P134-N138 PolarHBondContact O-ND2 3.42Å; L135-N138 PolarHBondContact O-N 3.01Å; A136-N138 PolarHBondContact O-N 3.43Å; N138-K159 CarbonylContact O-C 3.43Å; N138-K159 WeakPolarHBondContact O-CA 3.29Å; N138-K159 WeakPolarHBondContact O-CB 3.47Å; N138-V160 PolarHBondContact O-N 2.92Å
139E93.4Very high94.2Very high19 Ų1945.7 Ų45.79%0.08923%0.229CC..BIsolated β-bridgetrans-90.5130.2-173.1-64.3-6014300111.8L82 S86 A136 Q137 C141 L142 H143L82-E139 HydrophobicContact CD2-CB 3.71Å; L82-E139 HydrophobicContact CD2-CG 3.69Å; S86-E139 VanDerWaalsContact OG-CG 3.32Å; S86-E139 WeakPolarHBondContact OG-CG 3.49Å; A136-E139 WeakPolarHBondContact O-CB 3.13Å; A136-E139 PolarHBondContact O-N 3.04Å; Q137-E139 VanDerWaalsContact C-N 3.34Å; E139-C141 PolarHBondContact O-N 2.65Å; E139-L142 PolarHBondContact O-N 2.94Å; E139-H143 PolarHBondContact O-CD2 2.95Å
140R94.1Very high94.2Very high106 Ų10642.9 Ų42.940%0.423%0.233SC..Hα-helixtrans-60.9-32.2-176.7-177.8179.1177.1-149.3-1.3113L142 H143 M144 Y155 I156 G158R140-L142 VanDerWaalsContact C-N 3.26Å; R140-L142 PolarHBondContact O-N 2.84Å; R140-H143 PolarHBondContact O-N 3.07Å; R140-M144 PolarHBondContact O-N 2.8Å; R140-Y155 HydrophobicContact CG-CD2 4.44Å; R140-I156 PolarHBondContact NH1-O 2.64Å; R140-I156 VanDerWaalsContact NH1-O 3.14Å; R140-G158 WeakPolarHBondContact CB-O 3.24Å; R140-G158 PolarHBondContact N-O 3.16Å
141C94.8Very high94.2Very high3 Ų344.2 Ų44.22%0.0224%0.239CC..Hα-helixtrans-60.1-35.1179.858.10000112.8W77 L78 E81 L82 E139 F145 Y155W77-C141 HydrophobicContact CH2-CB 3.77Å; W77-C141 HydrophobicContact CZ2-CB 4.49Å; W77-C141 HydrophobicContact CZ3-CB 4.37Å; L78-C141 HydrophobicContact CD1-CB 4.16Å; E81-C141 HydrophobicContact CB-CB 4.15Å; L82-C141 VanDerWaalsContact CD2-SG 3.54Å; E139-C141 PolarHBondContact O-N 2.65Å; C141-F145 VanDerWaalsContact O-CB 3.29Å; C141-F145 WeakPolarHBondContact O-CB 3.49Å; C141-F145 PolarHBondContact O-N 3.17Å; C141-Y155 HydrophobicContact CB-CE2 4.26Å; C141-Y155 WeakPolarHBondContact CB-OH 3.49Å
142L95.8Very high94.2Very high0 Ų048 Ų480%026%0.26CS..Hα-helixtrans-66.7-41.1177.2-178.666.8000111.5F61 L78 I127 A131 A136 E139 R140 F145 L146F61-L142 HydrophobicContact CE1-CD2 4.5Å; F61-L142 HydrophobicContact CZ-CD2 4.35Å; L78-L142 HydrophobicContact CD2-CD1 4.21Å; I127-L142 HydrophobicContact CD1-CD1 4.04Å; A131-L142 HydrophobicContact CB-CD1 4.29Å; A131-L142 HydrophobicContact CB-CD2 4.24Å; A136-L142 HydrophobicContact CB-CD2 4.29Å; A136-L142 WeakPolarHBondContact O-CD2 3.28Å; E139-L142 PolarHBondContact O-N 2.94Å; R140-L142 VanDerWaalsContact C-N 3.26Å; R140-L142 PolarHBondContact O-N 2.84Å; L142-F145 PolarHBondContact O-N 3.1Å; L142-L146 HydrophobicContact CD1-CD1 3.83Å; L142-L146 HydrophobicContact CD1-CG 4.27Å; L142-L146 HydrophobicContact CG-CD1 3.99Å; L142-L146 WeakPolarHBondContact O-CG 3.23Å; L142-L146 PolarHBondContact O-N 2.91Å
143H95.8Very high94.2Very high16 Ų1652.7 Ų52.77%0.07426%0.263CS..Hα-helixtrans-68.5-45.2179.5-67.5-102.1000111.1I60 F61 Q137 E139 R140 F145 L146 Q147 V160I60-H143 PolarHBondContact O-CE1 2.96Å; F61-H143 AromaticContact CD1-CE1 3.48Å; F61-H143 VanDerWaalsContact CD1-CE1 3.48Å; F61-H143 WeakPolarHBondContact CD1-CE1 3.34Å; F61-H143 AromaticContact CD1-ND1 3.56Å; F61-H143 AromaticContact CE1-CE1 3.74Å; Q137-H143 PolarHBondContact O-NE2 2.7Å; E139-H143 PolarHBondContact O-CD2 2.95Å; R140-H143 PolarHBondContact O-N 3.07Å; H143-F145 PolarHBondContact O-N 3.5Å; H143-L146 PolarHBondContact O-N 3.2Å; H143-Q147 VanDerWaalsContact O-CB 3.31Å; H143-Q147 WeakPolarHBondContact O-CB 3.3Å; H143-Q147 PolarHBondContact O-N 2.9Å; H143-V160 WeakPolarHBondContact CD2-CG2 3.49Å; H143-V160 WeakPolarHBondContact NE2-CG2 3.49Å
144M96.2Very high94.1Very high5 Ų556.3 Ų56.33%0.02529%0.285CS..Hα-helixtrans-59.8-38.5173.7-176.1168.160.500111.5R70 W77 R140 D148 I151 D152 Y155R70-M144 PolarHBondContact NH2-O 2.97Å; W77-M144 HydrophobicContact CH2-CE 3.26Å; W77-M144 HydrophobicContact CZ2-CE 3.57Å; W77-M144 HydrophobicContact CZ3-CE 4.32Å; R140-M144 PolarHBondContact O-N 2.8Å; M144-D148 WeakPolarHBondContact CA-OD2 3.31Å; M144-D148 HydrophobicContact CG-CB 4.23Å; M144-D148 WeakPolarHBondContact CG-OD2 3.37Å; M144-D148 PolarHBondContact O-N 2.71Å; M144-I151 HydrophobicContact CE-CG2 3.95Å; M144-D152 WeakPolarHBondContact CE-O 3.1Å; M144-D152 HydrophobicContact SD-CB 3.89Å; M144-D152 PolarHBondContact SD-N 3.35Å; M144-D152 VanDerWaalsContact SD-N 3.36Å; M144-Y155 HydrophobicContact CE-CD1 3.65Å; M144-Y155 HydrophobicContact CE-CD2 3.89Å; M144-Y155 HydrophobicContact CE-CE1 4.14Å; M144-Y155 HydrophobicContact CE-CE2 4.31Å; M144-Y155 HydrophobicContact CE-CG 3.53Å; M144-Y155 HydrophobicContact SD-CG 4.33Å
145F97.4Very high94.1Very high0 Ų053.1 Ų53.10%026%0.262CS..Hα-helixtrans-64.8-41.5176.3-176.9-90.5000112.9V68 R70 D74 F75 L78 I127 C141 L142 H143 I151V68-F145 WeakPolarHBondContact CG2-O 3.31Å; R70-F145 HydrophobicContact CB-CE2 4.28Å; R70-F145 HydrophobicContact CB-CZ 4.09Å; R70-F145 HydrophobicContact CG-CE1 4.28Å; R70-F145 HydrophobicContact CG-CE2 3.86Å; R70-F145 HydrophobicContact CG-CZ 3.72Å; R70-F145 VanDerWaalsContact CZ-O 3.27Å; R70-F145 PolarHBondContact NE-O 3.05Å; R70-F145 PolarHBondContact NH2-O 3.28Å; D74-F145 HydrophobicContact CB-CE2 4.06Å; F75-F145 HydrophobicContact CD1-CE1 4.31Å; F75-F145 HydrophobicContact CD1-CE2 4.4Å; F75-F145 AromaticContact CD1-CZ 3.64Å; F75-F145 HydrophobicContact CD1-CZ 3.64Å; F75-F145 HydrophobicContact CD2-CE2 4.26Å; F75-F145 AromaticContact CD2-CZ 3.86Å; F75-F145 HydrophobicContact CD2-CZ 3.86Å; F75-F145 HydrophobicContact CE1-CE1 4.01Å; F75-F145 AromaticContact CE1-CZ 3.57Å; F75-F145 HydrophobicContact CE1-CZ 3.57Å; F75-F145 AromaticContact CE2-CZ 3.78Å; F75-F145 HydrophobicContact CE2-CZ 3.78Å; F75-F145 HydrophobicContact CG-CE2 4.2Å; F75-F145 AromaticContact CG-CZ 3.8Å; F75-F145 HydrophobicContact CG-CZ 3.8Å; F75-F145 HydrophobicContact CZ-CE1 4.25Å; F75-F145 AromaticContact CZ-CZ 3.65Å; F75-F145 HydrophobicContact CZ-CZ 3.65Å; L78-F145 HydrophobicContact CB-CD2 4.09Å; L78-F145 HydrophobicContact CB-CE2 4.5Å; L78-F145 HydrophobicContact CB-CG 4.49Å; L78-F145 HydrophobicContact CD1-CB 4.19Å; L78-F145 HydrophobicContact CD2-CB 4.13Å; L78-F145 HydrophobicContact CD2-CD1 3.82Å; L78-F145 HydrophobicContact CD2-CD2 4.05Å; L78-F145 HydrophobicContact CD2-CE1 4.25Å; L78-F145 HydrophobicContact CD2-CE2 4.45Å; L78-F145 HydrophobicContact CD2-CG 3.72Å; L78-F145 HydrophobicContact CG-CG 4.49Å; I127-F145 HydrophobicContact CD1-CD1 3.92Å; I127-F145 HydrophobicContact CD1-CE1 3.78Å; I127-F145 HydrophobicContact CG1-CE1 4.19Å; C141-F145 VanDerWaalsContact O-CB 3.29Å; C141-F145 WeakPolarHBondContact O-CB 3.49Å; C141-F145 PolarHBondContact O-N 3.17Å; L142-F145 PolarHBondContact O-N 3.1Å; H143-F145 PolarHBondContact O-N 3.5Å; F145-I151 HydrophobicContact CD2-CD1 3.82Å; F145-I151 HydrophobicContact CE2-CD1 4.41Å
146L97.4Very high94Very high0 Ų055.5 Ų55.50%027%0.274CS..Hα-helixtrans-92.6-25.5-172.8-67.9175.2000115.1I32 V52 F61 S66 I127 A131 L142 H143I32-L146 HydrophobicContact CD1-CD1 3.88Å; I32-L146 HydrophobicContact CD1-CD2 3.98Å; I32-L146 HydrophobicContact CG2-CD2 4.38Å; V52-L146 HydrophobicContact CG1-CD2 3.93Å; F61-L146 HydrophobicContact CE1-CD1 4Å; F61-L146 HydrophobicContact CZ-CD1 4.45Å; S66-L146 PolarHBondContact OG-O 3.43Å; I127-L146 HydrophobicContact CD1-CD2 4.15Å; I127-L146 HydrophobicContact CG1-CD2 3.93Å; A131-L146 HydrophobicContact CB-CD1 4.27Å; L142-L146 HydrophobicContact CD1-CD1 3.83Å; L142-L146 HydrophobicContact CD1-CG 4.27Å; L142-L146 HydrophobicContact CG-CD1 3.99Å; L142-L146 WeakPolarHBondContact O-CG 3.23Å; L142-L146 PolarHBondContact O-N 2.91Å; H143-L146 PolarHBondContact O-N 3.2Å
147Q96.1Very high93.8Very high21 Ų2158.4 Ų58.410%0.09829%0.293CS..Hα-helixtrans-117.9-32.2-167.5-60.4-172.6-37.200114.1M54 L63 H143M54-Q147 HydrophobicContact CE-CG 3.97Å; L63-Q147 HydrophobicContact CB-CG 4.49Å; L63-Q147 HydrophobicContact CD1-CB 4.09Å; L63-Q147 HydrophobicContact CD1-CG 4.48Å; L63-Q147 PolarHBondContact O-NE2 3.41Å; H143-Q147 VanDerWaalsContact O-CB 3.31Å; H143-Q147 WeakPolarHBondContact O-CB 3.3Å; H143-Q147 PolarHBondContact O-N 2.9Å
148D96.4Very high93.5Very high77 Ų7758.4 Ų58.441%0.41230%0.301SS..SBendtrans-84.9145.3-177.3-63.7-16.2000110.2V68 R70 M144 S150V68-D148 WeakPolarHBondContact CG1-O 3.41Å; R70-D148 PolarHBondContact NH2-O 3.21Å; M144-D148 WeakPolarHBondContact CA-OD2 3.31Å; M144-D148 HydrophobicContact CG-CB 4.23Å; M144-D148 WeakPolarHBondContact CG-OD2 3.37Å; M144-D148 PolarHBondContact O-N 2.71Å; D148-S150 VanDerWaalsContact C-N 3.31Å; D148-S150 PolarHBondContact O-N 3.1Å
149E94.4Very high93.2Very high181 Ų18162.3 Ų62.385%0.84632%0.315SS*.SBendtrans-64-39.9-179-171.8177.6-179.700111.8R70R70-E149 PolarHBondContact NH1-O 3.13Å
150S93.7Very high92.7Very high93 Ų9363.7 Ų63.765%0.6533%0.325SS*.SBendtrans-125.5150.3178.463.30000112D148D148-S150 VanDerWaalsContact C-N 3.31Å; D148-S150 PolarHBondContact O-N 3.1Å
151I94.8Very high91.3Very high29 Ų2969.9 Ų69.915%0.14935%0.348CS..  trans-90.5116.5178.5-64.5172.2000108.8D74 W77 M144 F145 R153D74-I151 HydrophobicContact CB-CD1 3.73Å; W77-I151 HydrophobicContact CD2-CG2 3.98Å; W77-I151 HydrophobicContact CE3-CD1 4.01Å; W77-I151 HydrophobicContact CE3-CG2 3.81Å; W77-I151 HydrophobicContact CH2-CG2 3.68Å; W77-I151 HydrophobicContact CZ2-CG2 3.77Å; W77-I151 HydrophobicContact CZ3-CD1 4.14Å; W77-I151 HydrophobicContact CZ3-CG2 3.68Å; M144-I151 HydrophobicContact CE-CG2 3.95Å; F145-I151 HydrophobicContact CD2-CD1 3.82Å; F145-I151 HydrophobicContact CE2-CD1 4.41Å; I151-R153 PolarHBondContact O-N 2.9Å
152D93.6Very high89.4Confident81 Ų8182.9 Ų82.943%0.43340%0.404SS..  trans-76.7107.1169.7179.611.5000110.3M144 N154 Y155M144-D152 WeakPolarHBondContact CE-O 3.1Å; M144-D152 HydrophobicContact SD-CB 3.89Å; M144-D152 PolarHBondContact SD-N 3.35Å; M144-D152 VanDerWaalsContact SD-N 3.36Å; D152-N154 PolarHBondContact O-N 3.48Å; D152-N154 PolarHBondContact OD1-N 3.06Å; D152-Y155 WeakPolarHBondContact O-CB 3.48Å; D152-Y155 WeakPolarHBondContact O-CD1 3.44Å; D152-Y155 PolarHBondContact O-N 2.89Å; D152-Y155 PolarHBondContact OD2-N 3.41Å
153R91.8Very high89.1Confident144 Ų14487.1 Ų87.154%0.54343%0.425SS..THydrogen-bonded Turntrans-71.6-15.3179.5-63.3-172.2176.8-158.8-6.9113.6D74 I151D74-R153 IonicContact OD1-NH2 3.23Å; I151-R153 PolarHBondContact O-N 2.9Å
154N91.1Very high88.7Confident146 Ų14690.8 Ų90.878%0.78144%0.443SS*.THydrogen-bonded Turntrans-102.513.7177.5-61.2-36.9000111.9D152D152-N154 PolarHBondContact O-N 3.48Å; D152-N154 PolarHBondContact OD1-N 3.06Å
155Y90.8Very high88.3Confident16 Ų1695.6 Ų95.66%0.06347%0.466CS..PPolyproline II helixtrans-58149.2177.286.4-63.1000110.8W77 E81 R140 C141 M144 D152 P157W77-Y155 HydrophobicContact CH2-CE1 4.33Å; W77-Y155 HydrophobicContact CZ2-CD1 4.02Å; W77-Y155 AromaticContact CZ2-CE1 3.56Å; W77-Y155 HydrophobicContact CZ2-CE1 3.56Å; E81-Y155 VanDerWaalsContact OE2-CE1 3.25Å; E81-Y155 WeakPolarHBondContact OE2-CE1 3.32Å; E81-Y155 VanDerWaalsContact OE2-CZ 3.3Å; E81-Y155 PolarHBondContact OE2-OH 3.22Å; R140-Y155 HydrophobicContact CG-CD2 4.44Å; C141-Y155 HydrophobicContact CB-CE2 4.26Å; C141-Y155 WeakPolarHBondContact CB-OH 3.49Å; M144-Y155 HydrophobicContact CE-CD1 3.65Å; M144-Y155 HydrophobicContact CE-CD2 3.89Å; M144-Y155 HydrophobicContact CE-CE1 4.14Å; M144-Y155 HydrophobicContact CE-CE2 4.31Å; M144-Y155 HydrophobicContact CE-CG 3.53Å; M144-Y155 HydrophobicContact SD-CG 4.33Å; D152-Y155 WeakPolarHBondContact O-CB 3.48Å; D152-Y155 WeakPolarHBondContact O-CD1 3.44Å; D152-Y155 PolarHBondContact O-N 2.89Å; D152-Y155 PolarHBondContact OD2-N 3.41Å; Y155-P157 HydrophobicContact CE2-CB 4.44Å; Y155-P157 VanDerWaalsContact O-CD 3.26Å; Y155-P157 WeakPolarHBondContact O-CD 3.44Å
156I88.6Confident87.8Confident136 Ų136101.2 Ų101.270%0.69749%0.494SS*.PPolyproline II helixtrans-78.1117.6172.9-57.1174.1000107.8R140R140-I156 PolarHBondContact NH1-O 2.64Å; R140-I156 VanDerWaalsContact NH1-O 3.14Å
157P88.8Confident87.2Confident61 Ų61107.5 Ų107.540%0.39653%0.525SS..PPolyproline II helixtrans-60.8146.7176.4-21.934.4000111.5D85 Y155D85-P157 VanDerWaalsContact OD2-CB 3.31Å; D85-P157 WeakPolarHBondContact OD2-CB 3.06Å; Y155-P157 HydrophobicContact CE2-CB 4.44Å; Y155-P157 VanDerWaalsContact O-CD 3.26Å; Y155-P157 WeakPolarHBondContact O-CD 3.44Å
158G86.3Confident86.6Confident31 Ų31113.3 Ų113.332%0.3255%0.553SS.*  trans162.5175.8-179.900000112.9R140R140-G158 WeakPolarHBondContact CB-O 3.24Å; R140-G158 PolarHBondContact N-O 3.16Å
159K86.3Confident85.9Confident143 Ų143115.9 Ų115.962%0.62256%0.563SS**BIsolated β-bridgetrans-84.1151.1-179.6-62-177.1-179.9-178.90111.7N138 R161N138-K159 CarbonylContact O-C 3.43Å; N138-K159 WeakPolarHBondContact O-CA 3.29Å; N138-K159 WeakPolarHBondContact O-CB 3.47Å; K159-R161 PolarHBondContact O-N 3.27Å
160V82.1Confident85.2Confident48 Ų48110.8 Ų110.829%0.29154%0.542SS..PPolyproline II helixtrans-61.9119.1169.5-178.50000108.5N138 H143N138-V160 PolarHBondContact O-N 2.92Å; H143-V160 WeakPolarHBondContact CD2-CG2 3.49Å; H143-V160 WeakPolarHBondContact NE2-CG2 3.49Å
161R65.6Low84.5Confident236 Ų236112.3 Ų112.389%0.89153%0.532SS*.PPolyproline II helixtrans-78.4126.7173.3-63.6-177.2-179.5-176.6-0.7107.4K159K159-R161 PolarHBondContact O-N 3.27Å
162K54.5Low83.6Confident277 Ų277119.9 Ų119.9100%1.20457%0.567SS**  trans-63.80168.4-77.2-174176.7-178.10110.6

Retrieved 162 of 162 residues in 156.8 ms (Link to these results)

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