LRC73_HUMAN Loading...

Leucine-rich repeat-containing protein 73

AlphaFold DB , UniProt , Accession Q5JTD7, Species HUMAN (Homo sapiens, Human), Gene LRRC73, Length 316 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
1M55.9Low84.8Confident237 Ų23793.2 Ų93.2100%1.16752%0.521SS*.  0123.50-68.8-79.7-14400106.6
2L65.9Low85.5Confident167 Ų16790.9 Ų90.987%0.87451%0.513SS*.PPolyproline II helixtrans-64.4138.7171.3-72.5166.5000108.3S4L2-S4 PolarHBondContact O-N 3.48Å
3P75.9Confident86.2Confident41 Ų4185 Ų8527%0.26648%0.479SS..PPolyproline II helixtrans-64.2132.6179.8-0.711.1000109.7A29 R31P3-A29 CarbonylContact C-O 3.47Å; P3-A29 WeakPolarHBondContact CA-O 3.41Å; P3-R31 HydrophobicContact CB-CB 3.99Å
4S90.6Very high86.7Confident62 Ų6282.6 Ų82.643%0.43447%0.471SS..EExtended strand (participates in β ladder)trans-83.9168.4-172.162.70000113L2 A29 V30 R31L2-S4 PolarHBondContact O-N 3.48Å; S4-A29 PolarHBondContact N-O 3.09Å; S4-A29 PolarHBondContact OG-O 3.06Å; S4-V30 CarbonylContact O-C 3.57Å; S4-V30 VanDerWaalsContact O-CA 3.29Å; S4-V30 WeakPolarHBondContact O-CA 3.44Å; S4-R31 PolarHBondContact O-N 3.48Å
5S93.6Very high87.2Confident79 Ų7979.1 Ų79.155%0.55246%0.46SS*.EExtended strand (participates in β ladder)trans-102.5132.2170.9-61.80000109.8L32S5-L32 CarbonylContact C-O 3.59Å; S5-L32 WeakPolarHBondContact CA-O 3.33Å
6I93.9Very high87.7Confident39 Ų3976.7 Ų76.720%0.245%0.452CS..EExtended strand (participates in β ladder)trans-112.4121.7170.7-60.1178.5000107.4I8 I21 V30 L32 L33 S34I6-I8 HydrophobicContact CG2-CD1 4.22Å; I6-I8 HydrophobicContact CG2-CG1 4.22Å; I6-I21 HydrophobicContact CG2-CG1 4.44Å; I6-V30 HydrophobicContact CD1-CG1 4.3Å; I6-V30 HydrophobicContact CD1-CG2 3.54Å; I6-V30 HydrophobicContact CG1-CG1 4.26Å; I6-V30 HydrophobicContact CG1-CG2 4.15Å; I6-L32 PolarHBondContact N-O 3.2Å; I6-L33 HydrophobicContact CB-CD1 3.88Å; I6-L33 HydrophobicContact CG2-CD1 3.86Å; I6-L33 CarbonylContact O-C 3.21Å; I6-L33 WeakPolarHBondContact O-CA 3.33Å; I6-S34 PolarHBondContact O-N 3.27Å
7Q94.4Very high88.2Confident141 Ų14176.4 Ų76.466%0.65945%0.445SS*.EExtended strand (participates in β ladder)trans-131.4117.3178.5-64.7-177.7-27.800109.3L32Q7-L32 HydrophobicContact CG-CD2 3.68Å
8I93Very high88.7Confident34 Ų3472.1 Ų72.117%0.17442%0.42CS..  trans-131.3133.4177-52.2174.3000106.7I6 L13 I21 S34 L35 R36 C38I6-I8 HydrophobicContact CG2-CD1 4.22Å; I6-I8 HydrophobicContact CG2-CG1 4.22Å; I8-L13 HydrophobicContact CB-CD2 4.37Å; I8-L13 HydrophobicContact CD1-CD2 3.61Å; I8-L13 HydrophobicContact CG2-CD2 3.9Å; I8-I21 HydrophobicContact CD1-CD1 4.08Å; I8-S34 PolarHBondContact N-O 2.91Å; I8-L35 HydrophobicContact CB-CD2 4.46Å; I8-L35 HydrophobicContact CD1-CD2 4.49Å; I8-L35 CarbonylContact O-C 3.51Å; I8-L35 WeakPolarHBondContact O-CA 3.11Å; I8-R36 PolarHBondContact O-N 3.22Å; I8-C38 PolarHBondContact O-SG 3.13Å; I8-C38 VanDerWaalsContact O-SG 3.34Å
9S92.8Very high89.2Confident71 Ų7176.2 Ų76.250%0.49743%0.428SS..  trans-138.9142-178.1-163.40000113.8E11 R36S9-E11 PolarHBondContact O-N 2.93Å; S9-R36 CarbonylContact C-O 3.6Å; S9-R36 WeakPolarHBondContact CA-O 3.4Å; S9-R36 WeakPolarHBondContact CB-O 3.29Å; S9-R36 PolarHBondContact OG-O 3.19Å
10G89.1Confident89.6Confident33 Ų3377.4 Ų77.434%0.3443%0.433SS..SBendtrans72.7-19.2171.300000116.6R36 R39G10-R36 PolarHBondContact N-O 3.41Å; G10-R39 PolarHBondContact O-NH1 3.45Å; G10-R39 VanDerWaalsContact O-NH1 3.11Å
11E87.8Confident89.9Confident121 Ų12173.9 Ų73.957%0.56541%0.414SS*.SBendtrans-91.7153.6-172.6-64.2-55.914600113.8S9 L13 C38 R39S9-E11 PolarHBondContact O-N 2.93Å; E11-L13 PolarHBondContact O-N 3.01Å; E11-C38 VanDerWaalsContact O-CA 3.29Å; E11-C38 WeakPolarHBondContact O-CA 3.27Å; E11-R39 PolarHBondContact O-N 3.15Å
12P93Very high91.9Very high66 Ų6662.9 Ų62.943%0.42936%0.36SS..BIsolated β-bridgetrans-64.8127.1164.2-14.829000111.1S14 R39P12-S14 PolarHBondContact O-N 3.47Å; P12-R39 CarbonylContact C-O 3.47Å; P12-R39 VanDerWaalsContact CA-O 3.31Å; P12-R39 WeakPolarHBondContact CA-O 3.4Å; P12-R39 HydrophobicContact CB-CB 4.42Å
13L94.3Very high93.4Very high14 Ų1462.3 Ų62.37%0.07335%0.346CS..PPolyproline II helixtrans-78.9119.4174.4-71.7165.4000110.2I8 E11 E17 V18 I21 L35 C38 R39 L40I8-L13 HydrophobicContact CB-CD2 4.37Å; I8-L13 HydrophobicContact CD1-CD2 3.61Å; I8-L13 HydrophobicContact CG2-CD2 3.9Å; E11-L13 PolarHBondContact O-N 3.01Å; L13-E17 HydrophobicContact CD2-CB 4.17Å; L13-V18 HydrophobicContact CB-CG2 4.08Å; L13-I21 HydrophobicContact CD2-CD1 4.23Å; L13-L35 HydrophobicContact CD1-CD1 4.36Å; L13-L35 HydrophobicContact CD1-CD2 4.04Å; L13-C38 HydrophobicContact CD1-CB 3.74Å; L13-C38 HydrophobicContact CG-CB 3.96Å; L13-R39 PolarHBondContact N-O 3.03Å; L13-L40 HydrophobicContact CB-CB 4.38Å; L13-L40 HydrophobicContact CD1-CB 4.4Å; L13-L40 HydrophobicContact CD1-CD1 4.14Å
14S94.1Very high94.4Very high52 Ų5261 Ų6136%0.36434%0.34SS..PPolyproline II helixtrans-67.3157171.673.40000111.3P12 A16 E17 V18P12-S14 PolarHBondContact O-N 3.47Å; S14-A16 PolarHBondContact O-N 3.37Å; S14-A16 VanDerWaalsContact O-N 3.13Å; S14-A16 PolarHBondContact OG-N 3.02Å; S14-E17 WeakPolarHBondContact CA-OE2 3.49Å; S14-E17 WeakPolarHBondContact CB-OE2 3.36Å; S14-E17 PolarHBondContact N-OE2 3.35Å; S14-E17 PolarHBondContact O-N 3.07Å; S14-E17 WeakPolarHBondContact OG-CG 3.47Å; S14-E17 PolarHBondContact OG-N 3.33Å; S14-E17 PolarHBondContact OG-OE2 3.47Å; S14-V18 WeakPolarHBondContact O-CG2 3.46Å; S14-V18 PolarHBondContact O-N 3Å; S14-V18 VanDerWaalsContact O-N 3.08Å
15G94.2Very high94.7Very high29 Ų2958 Ų5830%0.29932%0.319SS..Hα-helixtrans-62.6-20.1175.200000113.8R19G15-R19 WeakPolarHBondContact O-CG 3.37Å; G15-R19 VanDerWaalsContact O-CZ 3.26Å; G15-R19 PolarHBondContact O-N 2.82Å; G15-R19 PolarHBondContact O-NH1 3.06Å
16A95.2Very high94.9Very high41 Ų4161.7 Ų61.734%0.33932%0.321SS..Hα-helixtrans-74.7-50.7174.100000110.8S14 V18 R19 D20S14-A16 PolarHBondContact O-N 3.37Å; S14-A16 VanDerWaalsContact O-N 3.13Å; S14-A16 PolarHBondContact OG-N 3.02Å; A16-V18 VanDerWaalsContact C-N 3.29Å; A16-V18 PolarHBondContact O-N 2.84Å; A16-R19 WeakPolarHBondContact O-CA 3.47Å; A16-R19 WeakPolarHBondContact O-CB 3.46Å; A16-R19 PolarHBondContact O-N 3.16Å; A16-D20 PolarHBondContact O-N 3.43Å
17E96.1Very high95Very high71 Ų7164.6 Ų64.633%0.33234%0.337SS..Hα-helixtrans-57.6-42.6177.1-69.5159.113000111.6L13 S14 R19 D20 I21L13-E17 HydrophobicContact CD2-CB 4.17Å; S14-E17 WeakPolarHBondContact CA-OE2 3.49Å; S14-E17 WeakPolarHBondContact CB-OE2 3.36Å; S14-E17 PolarHBondContact N-OE2 3.35Å; S14-E17 PolarHBondContact O-N 3.07Å; S14-E17 WeakPolarHBondContact OG-CG 3.47Å; S14-E17 PolarHBondContact OG-N 3.33Å; S14-E17 PolarHBondContact OG-OE2 3.47Å; E17-R19 VanDerWaalsContact C-N 3.29Å; E17-R19 PolarHBondContact O-N 3.27Å; E17-D20 PolarHBondContact O-N 3.27Å; E17-I21 WeakPolarHBondContact O-CD1 3.38Å; E17-I21 VanDerWaalsContact O-CG1 3.26Å; E17-I21 WeakPolarHBondContact O-CG1 3.28Å; E17-I21 PolarHBondContact O-N 3.34Å
18V97.3Very high95Very high0 Ų060.5 Ų60.50%032%0.32CS..Hα-helixtrans-58.4-41.4175.1173.80000111.4L13 S14 A16 C22 D44 R47 I48L13-V18 HydrophobicContact CB-CG2 4.08Å; S14-V18 WeakPolarHBondContact O-CG2 3.46Å; S14-V18 PolarHBondContact O-N 3Å; S14-V18 VanDerWaalsContact O-N 3.08Å; A16-V18 VanDerWaalsContact C-N 3.29Å; A16-V18 PolarHBondContact O-N 2.84Å; V18-C22 WeakPolarHBondContact O-CB 3.41Å; V18-C22 PolarHBondContact O-N 3.23Å; V18-C22 PolarHBondContact O-SG 3.15Å; V18-D44 HydrophobicContact CG1-CB 3.99Å; V18-D44 HydrophobicContact CG2-CB 3.97Å; V18-R47 HydrophobicContact CG1-CB 4.32Å; V18-I48 HydrophobicContact CG1-CD1 4.49Å; V18-I48 HydrophobicContact CG1-CG1 4.17Å
19R97.5Very high95.1Very high149 Ų14961 Ų6156%0.56233%0.328SS*.Hα-helixtrans-67.1-40178.1-75.7-174.3-56.5-94.19.3111.6G15 A16 E17 C22 R23G15-R19 WeakPolarHBondContact O-CG 3.37Å; G15-R19 VanDerWaalsContact O-CZ 3.26Å; G15-R19 PolarHBondContact O-N 2.82Å; G15-R19 PolarHBondContact O-NH1 3.06Å; A16-R19 WeakPolarHBondContact O-CA 3.47Å; A16-R19 WeakPolarHBondContact O-CB 3.46Å; A16-R19 PolarHBondContact O-N 3.16Å; E17-R19 VanDerWaalsContact C-N 3.29Å; E17-R19 PolarHBondContact O-N 3.27Å; R19-C22 PolarHBondContact O-N 3.44Å; R19-R23 WeakPolarHBondContact O-CB 3.5Å; R19-R23 PolarHBondContact O-N 2.75Å
20D96.4Very high95.3Very high101 Ų10157.6 Ų57.654%0.5431%0.305SS..Hα-helixtrans-68.6-42.6-179.7-66.1-22.7000111.1A16 E17 R23 G24A16-D20 PolarHBondContact O-N 3.43Å; E17-D20 PolarHBondContact O-N 3.27Å; D20-R23 PolarHBondContact O-N 3.02Å; D20-G24 PolarHBondContact O-N 2.9Å
21I97.2Very high95.7Very high4 Ų462.8 Ų62.82%0.02131%0.314CS..Hα-helixtrans-57.6-51.8170.9-67.1159.3000110.2I6 I8 L13 E17 R23 G24 L25 L33 L35 I48I6-I21 HydrophobicContact CG2-CG1 4.44Å; I8-I21 HydrophobicContact CD1-CD1 4.08Å; L13-I21 HydrophobicContact CD2-CD1 4.23Å; E17-I21 WeakPolarHBondContact O-CD1 3.38Å; E17-I21 VanDerWaalsContact O-CG1 3.26Å; E17-I21 WeakPolarHBondContact O-CG1 3.28Å; E17-I21 PolarHBondContact O-N 3.34Å; I21-R23 PolarHBondContact O-N 3.08Å; I21-G24 PolarHBondContact O-N 3.04Å; I21-L25 HydrophobicContact CG2-CD1 3.94Å; I21-L25 HydrophobicContact CG2-CG 4.4Å; I21-L25 WeakPolarHBondContact O-CG 3.44Å; I21-L25 PolarHBondContact O-N 3.02Å; I21-L33 HydrophobicContact CG2-CD1 4.03Å; I21-L33 HydrophobicContact CG2-CD2 3.91Å; I21-L35 HydrophobicContact CD1-CD2 3.89Å; I21-I48 HydrophobicContact CG2-CG1 4.37Å; I21-I48 HydrophobicContact CG2-CG2 4.38Å
22C97.8Very high96.2Very high6 Ų658.4 Ų58.44%0.04130%0.295CS..Hα-helixtrans-59.2-35.9178.8-75.80000112.6V18 R19 R26 R47 A51V18-C22 WeakPolarHBondContact O-CB 3.41Å; V18-C22 PolarHBondContact O-N 3.23Å; V18-C22 PolarHBondContact O-SG 3.15Å; R19-C22 PolarHBondContact O-N 3.44Å; C22-R26 WeakPolarHBondContact O-CG 3.46Å; C22-R26 PolarHBondContact O-N 2.86Å; C22-R26 PolarHBondContact O-NE 3.47Å; C22-R47 PolarHBondContact SG-O 2.7Å; C22-R47 VanDerWaalsContact SG-O 3.38Å; C22-A51 HydrophobicContact CB-CB 4.06Å
23R97.3Very high96.5Very high155 Ų15555.3 Ų55.359%0.58527%0.274SS*.Hα-helixtrans-68.7-50.5175.6-178179.8177.1-1761.9111R19 D20 I21 L25 R26 D27R19-R23 WeakPolarHBondContact O-CB 3.5Å; R19-R23 PolarHBondContact O-N 2.75Å; D20-R23 PolarHBondContact O-N 3.02Å; I21-R23 PolarHBondContact O-N 3.08Å; R23-L25 VanDerWaalsContact C-N 3.27Å; R23-L25 PolarHBondContact O-N 2.95Å; R23-R26 PolarHBondContact O-N 2.65Å; R23-R26 VanDerWaalsContact O-N 3.1Å; R23-D27 WeakPolarHBondContact CG-OD2 3.4Å; R23-D27 IonicContact NE-OD2 3.81Å; R23-D27 PolarHBondContact NE-OD2 3.02Å; R23-D27 WeakPolarHBondContact O-CB 3.41Å; R23-D27 VanDerWaalsContact O-CG 3.31Å; R23-D27 PolarHBondContact O-N 2.7Å
24G96.7Very high96.6Very high13 Ų1355.2 Ų55.213%0.13428%0.275CS..Hα-helixtrans-57.3-39.6178.700000113.1D20 I21 N28 A29D20-G24 PolarHBondContact O-N 2.9Å; I21-G24 PolarHBondContact O-N 3.04Å; G24-N28 PolarHBondContact O-N 2.86Å; G24-A29 PolarHBondContact O-N 3.03Å
25L97.2Very high96.8Very high0 Ų052.7 Ų52.70%026%0.257CS..Hα-helixtrans-64.8-44.2174.7-71.6173.5000112.6I21 R23 N28 V30 L33 I48 A51 L52 A55 L58I21-L25 HydrophobicContact CG2-CD1 3.94Å; I21-L25 HydrophobicContact CG2-CG 4.4Å; I21-L25 WeakPolarHBondContact O-CG 3.44Å; I21-L25 PolarHBondContact O-N 3.02Å; R23-L25 VanDerWaalsContact C-N 3.27Å; R23-L25 PolarHBondContact O-N 2.95Å; L25-N28 PolarHBondContact O-N 3.34Å; L25-N28 PolarHBondContact O-OD1 3.4Å; L25-V30 HydrophobicContact CD2-CB 4.3Å; L25-L33 HydrophobicContact CD1-CD2 4.08Å; L25-L33 HydrophobicContact CD2-CD2 4.34Å; L25-I48 HydrophobicContact CD1-CG2 4.23Å; L25-A51 HydrophobicContact CB-CB 3.86Å; L25-A51 HydrophobicContact CD1-CB 3.87Å; L25-L52 HydrophobicContact CD1-CD2 3.68Å; L25-L52 HydrophobicContact CD1-CG 3.89Å; L25-L52 HydrophobicContact CD2-CD2 3.83Å; L25-L52 HydrophobicContact CG-CD2 4.41Å; L25-A55 HydrophobicContact CB-CB 4.43Å; L25-A55 HydrophobicContact CD2-CB 4.28Å; L25-L58 HydrophobicContact CD2-CB 4.48Å; L25-L58 HydrophobicContact CD2-CD1 4.15Å; L25-L58 HydrophobicContact CD2-CD2 3.98Å; L25-L58 HydrophobicContact CD2-CG 4.46Å
26R96.6Very high96.9Very high155 Ų15555.3 Ų55.359%0.58526%0.258SS*.Hα-helixtrans-68.6-35.4178-76.2-177.4-64.8-135-2.5112.9C22 R23 N28 A51C22-R26 WeakPolarHBondContact O-CG 3.46Å; C22-R26 PolarHBondContact O-N 2.86Å; C22-R26 PolarHBondContact O-NE 3.47Å; R23-R26 PolarHBondContact O-N 2.65Å; R23-R26 VanDerWaalsContact O-N 3.1Å; R26-N28 PolarHBondContact O-N 2.86Å; R26-A51 HydrophobicContact CG-CB 4.31Å
27D96.1Very high96.9Very high100 Ų10054.3 Ų54.354%0.53525%0.251SS..THydrogen-bonded Turntrans-791178.2-64.6-9.5000111.6R23 A29R23-D27 WeakPolarHBondContact CG-OD2 3.4Å; R23-D27 IonicContact NE-OD2 3.81Å; R23-D27 PolarHBondContact NE-OD2 3.02Å; R23-D27 WeakPolarHBondContact O-CB 3.41Å; R23-D27 VanDerWaalsContact O-CG 3.31Å; R23-D27 PolarHBondContact O-N 2.7Å; D27-A29 HydrophobicContact CB-CB 4.44Å; D27-A29 PolarHBondContact O-N 2.87Å
28N95.6Very high96.9Very high56 Ų5651 Ų5130%0.29924%0.237SC..THydrogen-bonded Turntrans51.936.1-176.3-62.6-56.8000113G24 L25 R26 T56 S57G24-N28 PolarHBondContact O-N 2.86Å; L25-N28 PolarHBondContact O-N 3.34Å; L25-N28 PolarHBondContact O-OD1 3.4Å; R26-N28 PolarHBondContact O-N 2.86Å; N28-T56 PolarHBondContact ND2-OG1 2.94Å; N28-T56 PolarHBondContact OD1-N 2.97Å; N28-T56 PolarHBondContact OD1-OG1 3.16Å; N28-T56 VanDerWaalsContact OD1-OG1 3.09Å; N28-S57 VanDerWaalsContact CA-OG 3.27Å; N28-S57 WeakPolarHBondContact CA-OG 3.38Å; N28-S57 WeakPolarHBondContact O-CB 3.41Å; N28-S57 PolarHBondContact O-OG 2.88Å; N28-S57 VanDerWaalsContact O-OG 3.09Å
29A95.7Very high96.8Very high43 Ų4358.3 Ų58.336%0.35526%0.264SS..  trans-97.85.2-177.600000112.7P3 S4 G24 D27P3-A29 CarbonylContact C-O 3.47Å; P3-A29 WeakPolarHBondContact CA-O 3.41Å; S4-A29 PolarHBondContact N-O 3.09Å; S4-A29 PolarHBondContact OG-O 3.06Å; G24-A29 PolarHBondContact O-N 3.03Å; D27-A29 HydrophobicContact CB-CB 4.44Å; D27-A29 PolarHBondContact O-N 2.87Å
30V96.8Very high96.7Very high1 Ų152.1 Ų52.11%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-123.5125.8-176.3-1750000109.9S4 I6 L25 L32 L33 S57 L58S4-V30 CarbonylContact O-C 3.57Å; S4-V30 VanDerWaalsContact O-CA 3.29Å; S4-V30 WeakPolarHBondContact O-CA 3.44Å; I6-V30 HydrophobicContact CD1-CG1 4.3Å; I6-V30 HydrophobicContact CD1-CG2 3.54Å; I6-V30 HydrophobicContact CG1-CG1 4.26Å; I6-V30 HydrophobicContact CG1-CG2 4.15Å; L25-V30 HydrophobicContact CD2-CB 4.3Å; V30-L32 VanDerWaalsContact CG1-O 3.22Å; V30-L32 WeakPolarHBondContact CG1-O 3.32Å; V30-L33 HydrophobicContact CG1-CB 4.25Å; V30-S57 CarbonylContact O-C 3.57Å; V30-S57 PolarHBondContact O-OG 3.36Å; V30-L58 HydrophobicContact CB-CD1 4.45Å; V30-L58 HydrophobicContact CG1-CD1 3.8Å; V30-L58 WeakPolarHBondContact O-CA 3.5Å; V30-L58 PolarHBondContact O-N 3.09Å
31R97.3Very high96.6Very high141 Ų14150 Ų5053%0.53223%0.234SC..EExtended strand (participates in β ladder)trans-99.9-33.4173.8-169.9170.2177.7110.3-2.7112.3P3 S4 S57 A59 Q60P3-R31 HydrophobicContact CB-CB 3.99Å; S4-R31 PolarHBondContact O-N 3.48Å; R31-S57 WeakPolarHBondContact CA-O 3.35Å; R31-A59 HydrophobicContact CG-CB 4.01Å; R31-A59 PolarHBondContact O-N 2.94Å; R31-Q60 PolarHBondContact O-N 2.96Å; R31-Q60 VanDerWaalsContact O-N 3.09Å
32L98Very high96.5Very high30 Ų3052.4 Ų52.416%0.15725%0.247CC..EExtended strand (participates in β ladder)trans-129.7127.8178.2-176.9162.9000109S5 I6 Q7 V30 Q60S5-L32 CarbonylContact C-O 3.59Å; S5-L32 WeakPolarHBondContact CA-O 3.33Å; I6-L32 PolarHBondContact N-O 3.2Å; Q7-L32 HydrophobicContact CG-CD2 3.68Å; V30-L32 VanDerWaalsContact CG1-O 3.22Å; V30-L32 WeakPolarHBondContact CG1-O 3.32Å; L32-Q60 WeakPolarHBondContact CA-O 3.47Å; L32-Q60 HydrophobicContact CB-CB 4.36Å; L32-Q60 HydrophobicContact CD1-CB 4.49Å; L32-Q60 VanDerWaalsContact CD1-OE1 3.24Å; L32-Q60 HydrophobicContact CG-CB 4.06Å
33L98Very high96.5Very high0 Ų060 Ų600%028%0.275CS..EExtended strand (participates in β ladder)trans-122.7118.3171.217862.6000109.2I6 I21 L25 V30 L35 I48 L52 L58 Q60 L61 N62I6-L33 HydrophobicContact CB-CD1 3.88Å; I6-L33 HydrophobicContact CG2-CD1 3.86Å; I6-L33 CarbonylContact O-C 3.21Å; I6-L33 WeakPolarHBondContact O-CA 3.33Å; I21-L33 HydrophobicContact CG2-CD1 4.03Å; I21-L33 HydrophobicContact CG2-CD2 3.91Å; L25-L33 HydrophobicContact CD1-CD2 4.08Å; L25-L33 HydrophobicContact CD2-CD2 4.34Å; V30-L33 HydrophobicContact CG1-CB 4.25Å; L33-L35 HydrophobicContact CD1-CD2 3.88Å; L33-L35 HydrophobicContact CD1-CG 4.14Å; L33-L35 HydrophobicContact CD2-CD1 4.39Å; L33-L35 HydrophobicContact CG-CD2 4.46Å; L33-L35 HydrophobicContact CG-CG 4.18Å; L33-I48 HydrophobicContact CD2-CG2 4.32Å; L33-L52 HydrophobicContact CD2-CD2 4.26Å; L33-L58 HydrophobicContact CB-CD1 3.75Å; L33-Q60 PolarHBondContact N-O 3.38Å; L33-L61 HydrophobicContact CB-CD1 4.26Å; L33-L61 HydrophobicContact CD2-CD1 4.06Å; L33-L61 HydrophobicContact CG-CD1 4.26Å; L33-L61 WeakPolarHBondContact O-CA 3.32Å; L33-N62 PolarHBondContact O-N 2.95Å
34S98Very high96.5Very high12 Ų1253.4 Ų53.48%0.08425%0.251CS..EExtended strand (participates in β ladder)trans-117.5126.3170.4-177.40000110.3I6 I8 N62I6-S34 PolarHBondContact O-N 3.27Å; I8-S34 PolarHBondContact N-O 2.91Å; S34-N62 WeakPolarHBondContact CA-O 3.45Å
35L97.4Very high96.5Very high0 Ų052.8 Ų52.80%025%0.245CC..  trans-121.726175.4-57.2179.6000111I8 L13 I21 L33 G37 C38 I48 N62 L63 V67I8-L35 HydrophobicContact CB-CD2 4.46Å; I8-L35 HydrophobicContact CD1-CD2 4.49Å; I8-L35 CarbonylContact O-C 3.51Å; I8-L35 WeakPolarHBondContact O-CA 3.11Å; L13-L35 HydrophobicContact CD1-CD1 4.36Å; L13-L35 HydrophobicContact CD1-CD2 4.04Å; I21-L35 HydrophobicContact CD1-CD2 3.89Å; L33-L35 HydrophobicContact CD1-CD2 3.88Å; L33-L35 HydrophobicContact CD1-CG 4.14Å; L33-L35 HydrophobicContact CD2-CD1 4.39Å; L33-L35 HydrophobicContact CG-CD2 4.46Å; L33-L35 HydrophobicContact CG-CG 4.18Å; L35-G37 PolarHBondContact O-N 2.85Å; L35-C38 VanDerWaalsContact C-SG 3.56Å; L35-C38 HydrophobicContact CB-CB 4.29Å; L35-C38 WeakPolarHBondContact O-CB 3.26Å; L35-C38 PolarHBondContact O-N 3.5Å; L35-C38 PolarHBondContact O-SG 2.84Å; L35-I48 HydrophobicContact CD1-CD1 3.79Å; L35-I48 HydrophobicContact CD1-CG2 4.43Å; L35-N62 PolarHBondContact N-O 2.99Å; L35-L63 HydrophobicContact CB-CD2 4.21Å; L35-L63 HydrophobicContact CD1-CD2 4.14Å; L35-L63 HydrophobicContact CG-CD2 4.45Å; L35-V67 WeakPolarHBondContact O-CG2 3.37Å
36R96.6Very high96.6Very high84 Ų8453 Ų5332%0.31725%0.247SC..THydrogen-bonded Turntrans-49.2121.3-171.6174.7177.5174.586.5-7.6112.4I8 S9 G10 C38 N64 L65I8-R36 PolarHBondContact O-N 3.22Å; S9-R36 CarbonylContact C-O 3.6Å; S9-R36 WeakPolarHBondContact CA-O 3.4Å; S9-R36 WeakPolarHBondContact CB-O 3.29Å; S9-R36 PolarHBondContact OG-O 3.19Å; G10-R36 PolarHBondContact N-O 3.41Å; R36-C38 PolarHBondContact O-N 2.93Å; R36-N64 CarbonylContact C-O 3.49Å; R36-N64 VanDerWaalsContact CA-O 3.28Å; R36-N64 WeakPolarHBondContact CA-O 3.42Å; R36-N64 HydrophobicContact CG-CB 4.08Å; R36-N64 VanDerWaalsContact NH1-CB 3.26Å; R36-L65 HydrophobicContact CG-CB 4.47Å; R36-L65 HydrophobicContact CG-CD1 3.97Å; R36-L65 HydrophobicContact CG-CG 4.12Å
37G95.8Very high96.7Very high19 Ų1950 Ų5020%0.19624%0.236CC..THydrogen-bonded Turntrans70.36.8177.400000115L35 N64 L65L35-G37 PolarHBondContact O-N 2.85Å; G37-N64 PolarHBondContact N-O 3.06Å; G37-L65 VanDerWaalsContact CA-O 3.27Å; G37-L65 WeakPolarHBondContact CA-O 3.44Å; G37-L65 PolarHBondContact N-O 2.8Å
38C96.3Very high96.8Very high3 Ų345.2 Ų45.22%0.0221%0.21CC..  trans-70.7139.2-178.5-70.60000111.7I8 E11 L13 L35 R36I8-C38 PolarHBondContact O-SG 3.13Å; I8-C38 VanDerWaalsContact O-SG 3.34Å; E11-C38 VanDerWaalsContact O-CA 3.29Å; E11-C38 WeakPolarHBondContact O-CA 3.27Å; L13-C38 HydrophobicContact CD1-CB 3.74Å; L13-C38 HydrophobicContact CG-CB 3.96Å; L35-C38 VanDerWaalsContact C-SG 3.56Å; L35-C38 HydrophobicContact CB-CB 4.29Å; L35-C38 WeakPolarHBondContact O-CB 3.26Å; L35-C38 PolarHBondContact O-N 3.5Å; L35-C38 PolarHBondContact O-SG 2.84Å; R36-C38 PolarHBondContact O-N 2.93Å
39R94.7Very high96.9Very high153 Ų15342.8 Ų42.858%0.57720%0.198SC*.BIsolated β-bridgetrans-93.1120.5172.9-65.5-171.8-65.6-74.83.7110G10 E11 P12 L13G10-R39 PolarHBondContact O-NH1 3.45Å; G10-R39 VanDerWaalsContact O-NH1 3.11Å; E11-R39 PolarHBondContact O-N 3.15Å; P12-R39 CarbonylContact C-O 3.47Å; P12-R39 VanDerWaalsContact CA-O 3.31Å; P12-R39 WeakPolarHBondContact CA-O 3.4Å; P12-R39 HydrophobicContact CB-CB 4.42Å; L13-R39 PolarHBondContact N-O 3.03Å
40L94.9Very high97Very high18 Ų1849.1 Ų49.19%0.09421%0.213CC..  trans-144.8160.5173.567.7171.5000110.2L13 F45 I48 V67 R73L13-L40 HydrophobicContact CB-CB 4.38Å; L13-L40 HydrophobicContact CD1-CB 4.4Å; L13-L40 HydrophobicContact CD1-CD1 4.14Å; L40-F45 HydrophobicContact CD1-CB 3.87Å; L40-F45 HydrophobicContact CD1-CD2 4.16Å; L40-F45 HydrophobicContact CG-CB 4.2Å; L40-I48 HydrophobicContact CD1-CD1 3.79Å; L40-V67 HydrophobicContact CD2-CG1 4Å; L40-R73 PolarHBondContact O-NH2 3.06Å
41C94.5Very high97.1Very high57 Ų5749.2 Ų49.239%0.38521%0.213SC..  trans-84.5158.8175.276.50000111.4R43 D44 F45C41-R43 PolarHBondContact O-N 2.89Å; C41-R43 VanDerWaalsContact O-N 3.11Å; C41-D44 PolarHBondContact O-N 3.24Å; C41-D44 PolarHBondContact SG-OD2 3.31Å; C41-F45 PolarHBondContact O-N 3.24Å
42D96.1Very high97.1Very high55 Ų5542.6 Ų42.629%0.29419%0.189SC..Hα-helixtrans-59.3-27.3-179.1-72.116.4000113.2G46 S70 S72 R73 Q76D42-G46 PolarHBondContact O-N 3.1Å; D42-S70 PolarHBondContact OD2-OG 3.29Å; D42-S72 WeakPolarHBondContact OD2-CB 3.21Å; D42-S72 PolarHBondContact OD2-OG 3.4Å; D42-R73 IonicContact OD1-CZ 3.59Å; D42-R73 IonicContact OD1-NE 3.54Å; D42-R73 PolarHBondContact OD1-NE 2.79Å; D42-R73 IonicContact OD1-NH2 3.41Å; D42-R73 PolarHBondContact OD1-NH2 3.23Å; D42-Q76 PolarHBondContact O-NE2 3.36Å; D42-Q76 PolarHBondContact O-OE1 3.49Å
43R96.8Very high97.1Very high164 Ų16442.4 Ų42.462%0.61919%0.191SC*.Hα-helixtrans-67-42.4174.3-177.1-177.968.7-176.8-3.2111.5C41 R47C41-R43 PolarHBondContact O-N 2.89Å; C41-R43 VanDerWaalsContact O-N 3.11Å; R43-R47 WeakPolarHBondContact O-CG 3.23Å; R43-R47 PolarHBondContact O-N 3.49Å; R43-R47 VanDerWaalsContact O-N 3.12Å
44D97Very high97Very high17 Ų1745 Ų459%0.09122%0.217CC..Hα-helixtrans-77-38.1-179-69.8-36.7000111.1V18 C41 G46 R47 I48V18-D44 HydrophobicContact CG1-CB 3.99Å; V18-D44 HydrophobicContact CG2-CB 3.97Å; C41-D44 PolarHBondContact O-N 3.24Å; C41-D44 PolarHBondContact SG-OD2 3.31Å; D44-G46 VanDerWaalsContact C-N 3.31Å; D44-G46 PolarHBondContact O-N 3.18Å; D44-R47 WeakPolarHBondContact O-CB 3.28Å; D44-R47 PolarHBondContact O-N 3.2Å; D44-R47 IonicContact OD1-CZ 2.75Å; D44-R47 IonicContact OD1-NE 3.58Å; D44-R47 IonicContact OD1-NH1 2.86Å; D44-R47 PolarHBondContact OD1-NH1 3.45Å; D44-I48 PolarHBondContact O-N 2.77Å
45F98.1Very high97Very high0 Ų044.5 Ų44.50%021%0.214CC..Hα-helixtrans-57.2-45.8168.7-171.5-98.2000110.9L40 C41 R47 I48 C49 L63 V67 V68 R73 Q76 L77L40-F45 HydrophobicContact CD1-CB 3.87Å; L40-F45 HydrophobicContact CD1-CD2 4.16Å; L40-F45 HydrophobicContact CG-CB 4.2Å; C41-F45 PolarHBondContact O-N 3.24Å; F45-R47 PolarHBondContact O-N 3.34Å; F45-I48 PolarHBondContact O-N 3.05Å; F45-I48 VanDerWaalsContact O-N 3.07Å; F45-C49 WeakPolarHBondContact CE1-SG 3.4Å; F45-C49 PolarHBondContact O-N 3.5Å; F45-C49 PolarHBondContact O-SG 3.36Å; F45-L63 HydrophobicContact CE2-CD1 4.2Å; F45-L63 HydrophobicContact CE2-CD2 4.4Å; F45-L63 HydrophobicContact CZ-CD1 4.21Å; F45-V67 HydrophobicContact CD2-CG1 4.04Å; F45-V67 HydrophobicContact CE2-CG1 3.81Å; F45-V68 HydrophobicContact CE2-CG2 4.29Å; F45-V68 HydrophobicContact CZ-CG2 3.95Å; F45-R73 HydrophobicContact CB-CG 4.35Å; F45-R73 HydrophobicContact CD1-CB 3.69Å; F45-R73 HydrophobicContact CD1-CG 3.59Å; F45-R73 HydrophobicContact CE1-CB 3.63Å; F45-R73 HydrophobicContact CE1-CG 4.06Å; F45-R73 WeakPolarHBondContact CE1-O 3.36Å; F45-R73 HydrophobicContact CG-CB 4.44Å; F45-R73 HydrophobicContact CG-CG 3.98Å; F45-R73 HydrophobicContact CZ-CB 4.33Å; F45-Q76 HydrophobicContact CD1-CB 4.23Å; F45-Q76 HydrophobicContact CE1-CB 4.23Å; F45-L77 HydrophobicContact CE1-CB 4.33Å; F45-L77 HydrophobicContact CZ-CB 4.32Å
46G98.2Very high96.9Very high4 Ų449.5 Ų49.54%0.04125%0.245CC..Hα-helixtrans-63.9-22174.500000115.1D42 D44 R50D42-G46 PolarHBondContact O-N 3.1Å; D44-G46 VanDerWaalsContact C-N 3.31Å; D44-G46 PolarHBondContact O-N 3.18Å; G46-R50 WeakPolarHBondContact O-CG 3.31Å; G46-R50 PolarHBondContact O-N 3.34Å; G46-R50 PolarHBondContact O-NE 3Å; G46-R50 VanDerWaalsContact O-NE 3.07Å
47R98.2Very high96.9Very high92 Ų9246.6 Ų46.635%0.34724%0.237SC..Hα-helixtrans-74.6-43.5170.1-73.5168.5172.5172-8.2110.8V18 C22 R43 D44 F45 R50 A51V18-R47 HydrophobicContact CG1-CB 4.32Å; C22-R47 PolarHBondContact SG-O 2.7Å; C22-R47 VanDerWaalsContact SG-O 3.38Å; R43-R47 WeakPolarHBondContact O-CG 3.23Å; R43-R47 PolarHBondContact O-N 3.49Å; R43-R47 VanDerWaalsContact O-N 3.12Å; D44-R47 WeakPolarHBondContact O-CB 3.28Å; D44-R47 PolarHBondContact O-N 3.2Å; D44-R47 IonicContact OD1-CZ 2.75Å; D44-R47 IonicContact OD1-NE 3.58Å; D44-R47 IonicContact OD1-NH1 2.86Å; D44-R47 PolarHBondContact OD1-NH1 3.45Å; F45-R47 PolarHBondContact O-N 3.34Å; R47-R50 PolarHBondContact O-N 2.7Å; R47-A51 PolarHBondContact O-N 3.17Å; R47-A51 VanDerWaalsContact O-N 3.12Å
48I98.2Very high97Very high0 Ų045.7 Ų45.70%023%0.228CC..Hα-helixtrans-61.6-49.5175.9-62.7173.6000109.6V18 I21 L25 L33 L35 L40 D44 F45 R50 A51 L52V18-I48 HydrophobicContact CG1-CD1 4.49Å; V18-I48 HydrophobicContact CG1-CG1 4.17Å; I21-I48 HydrophobicContact CG2-CG1 4.37Å; I21-I48 HydrophobicContact CG2-CG2 4.38Å; L25-I48 HydrophobicContact CD1-CG2 4.23Å; L33-I48 HydrophobicContact CD2-CG2 4.32Å; L35-I48 HydrophobicContact CD1-CD1 3.79Å; L35-I48 HydrophobicContact CD1-CG2 4.43Å; L40-I48 HydrophobicContact CD1-CD1 3.79Å; D44-I48 PolarHBondContact O-N 2.77Å; F45-I48 PolarHBondContact O-N 3.05Å; F45-I48 VanDerWaalsContact O-N 3.07Å; I48-R50 VanDerWaalsContact C-N 3.31Å; I48-R50 PolarHBondContact O-N 3.11Å; I48-A51 CarbonylContact O-C 3.5Å; I48-A51 WeakPolarHBondContact O-CA 3.47Å; I48-A51 WeakPolarHBondContact O-CB 3.45Å; I48-A51 PolarHBondContact O-N 2.76Å; I48-L52 HydrophobicContact CG2-CD1 3.93Å; I48-L52 HydrophobicContact CG2-CG 4.11Å; I48-L52 WeakPolarHBondContact O-CG 3.44Å; I48-L52 PolarHBondContact O-N 2.81Å
49C98.5Very high97.1Very high5 Ų545.9 Ų45.93%0.03423%0.23CC..Hα-helixtrans-54.7-41.6175.8-71.20000113.4F45 A51 L52 A53 Q76 A80F45-C49 WeakPolarHBondContact CE1-SG 3.4Å; F45-C49 PolarHBondContact O-N 3.5Å; F45-C49 PolarHBondContact O-SG 3.36Å; C49-A51 VanDerWaalsContact C-N 3.31Å; C49-A51 PolarHBondContact O-N 3.42Å; C49-L52 WeakPolarHBondContact O-CB 3.44Å; C49-L52 PolarHBondContact O-N 3.46Å; C49-A53 WeakPolarHBondContact O-CB 3.42Å; C49-A53 PolarHBondContact O-N 3.19Å; C49-Q76 HydrophobicContact CB-CB 4.21Å; C49-A80 HydrophobicContact CB-CB 3.98Å; C49-A80 VanDerWaalsContact O-CB 3.22Å; C49-A80 WeakPolarHBondContact O-CB 3.38Å
50R98.4Very high97.3Very high177 Ų17742.1 Ų42.167%0.66822%0.219SC*.Hα-helixtrans-66.4-32.3175.7-78.9-178.3-71.2-171.8-2.9113.3G46 R47 I48G46-R50 WeakPolarHBondContact O-CG 3.31Å; G46-R50 PolarHBondContact O-N 3.34Å; G46-R50 PolarHBondContact O-NE 3Å; G46-R50 VanDerWaalsContact O-NE 3.07Å; R47-R50 PolarHBondContact O-N 2.7Å; I48-R50 VanDerWaalsContact C-N 3.31Å; I48-R50 PolarHBondContact O-N 3.11Å
51A98.1Very high97.4Very high3 Ų341.2 Ų41.23%0.02522%0.215CC..Hα-helixtrans-73.9-41.1173.200000111.2C22 L25 R26 R47 I48 C49 A53 G54 A55C22-A51 HydrophobicContact CB-CB 4.06Å; L25-A51 HydrophobicContact CB-CB 3.86Å; L25-A51 HydrophobicContact CD1-CB 3.87Å; R26-A51 HydrophobicContact CG-CB 4.31Å; R47-A51 PolarHBondContact O-N 3.17Å; R47-A51 VanDerWaalsContact O-N 3.12Å; I48-A51 CarbonylContact O-C 3.5Å; I48-A51 WeakPolarHBondContact O-CA 3.47Å; I48-A51 WeakPolarHBondContact O-CB 3.45Å; I48-A51 PolarHBondContact O-N 2.76Å; C49-A51 VanDerWaalsContact C-N 3.31Å; C49-A51 PolarHBondContact O-N 3.42Å; A51-A53 VanDerWaalsContact C-N 3.28Å; A51-A53 PolarHBondContact O-N 3.12Å; A51-G54 PolarHBondContact O-N 3.21Å; A51-A55 PolarHBondContact O-N 3.11Å
52L98Very high97.6Very high2 Ų240.1 Ų40.11%0.0121%0.205CC..Hα-helixtrans-57.2-41.3174.4-70.3172.9000111.9L25 L33 I48 C49 G54 A55 L58 L61 A80 N84L25-L52 HydrophobicContact CD1-CD2 3.68Å; L25-L52 HydrophobicContact CD1-CG 3.89Å; L25-L52 HydrophobicContact CD2-CD2 3.83Å; L25-L52 HydrophobicContact CG-CD2 4.41Å; L33-L52 HydrophobicContact CD2-CD2 4.26Å; I48-L52 HydrophobicContact CG2-CD1 3.93Å; I48-L52 HydrophobicContact CG2-CG 4.11Å; I48-L52 WeakPolarHBondContact O-CG 3.44Å; I48-L52 PolarHBondContact O-N 2.81Å; C49-L52 WeakPolarHBondContact O-CB 3.44Å; C49-L52 PolarHBondContact O-N 3.46Å; L52-G54 PolarHBondContact O-N 2.85Å; L52-G54 VanDerWaalsContact O-N 3.09Å; L52-A55 PolarHBondContact O-N 3.03Å; L52-A55 VanDerWaalsContact O-N 3.07Å; L52-L58 HydrophobicContact CD2-CD2 3.22Å; L52-L61 HydrophobicContact CD1-CD1 4.32Å; L52-L61 HydrophobicContact CD1-CD2 3.82Å; L52-L61 HydrophobicContact CD2-CD1 4.28Å; L52-L61 HydrophobicContact CD2-CD2 4.35Å; L52-A80 HydrophobicContact CB-CB 4.33Å; L52-N84 PolarHBondContact O-ND2 3.38Å
53A97.9Very high97.7Very high25 Ų2537.5 Ų37.521%0.20719%0.191CC..THydrogen-bonded Turntrans-52.9-32.4-179.700000113.9C49 A51 A80 T83C49-A53 WeakPolarHBondContact O-CB 3.42Å; C49-A53 PolarHBondContact O-N 3.19Å; A51-A53 VanDerWaalsContact C-N 3.28Å; A51-A53 PolarHBondContact O-N 3.12Å; A53-A80 HydrophobicContact CB-CB 4.32Å; A53-T83 WeakPolarHBondContact CA-OG1 3.44Å; A53-T83 VanDerWaalsContact CB-OG1 3.29Å; A53-T83 WeakPolarHBondContact CB-OG1 3.36Å; A53-T83 PolarHBondContact O-OG1 2.98Å
54G96.1Very high97.8Very high54 Ų5430.2 Ų30.256%0.55716%0.164SC*.THydrogen-bonded Turntrans-106.5-1.4179.900000115.1A51 L52A51-G54 PolarHBondContact O-N 3.21Å; L52-G54 PolarHBondContact O-N 2.85Å; L52-G54 VanDerWaalsContact O-N 3.09Å
55A97Very high97.7Very high2 Ų232.9 Ų32.92%0.01718%0.178CC..  trans-73.3131.6-179.300000111.1L25 A51 L52 L58 N84 S86L25-A55 HydrophobicContact CB-CB 4.43Å; L25-A55 HydrophobicContact CD2-CB 4.28Å; A51-A55 PolarHBondContact O-N 3.11Å; L52-A55 PolarHBondContact O-N 3.03Å; L52-A55 VanDerWaalsContact O-N 3.07Å; A55-L58 HydrophobicContact CB-CB 4.31Å; A55-N84 PolarHBondContact O-ND2 3.26Å; A55-N84 VanDerWaalsContact O-ND2 3.1Å; A55-S86 PolarHBondContact O-OG 3.15Å
56T96.5Very high97.3Very high105 Ų10534.3 Ų34.364%0.64419%0.193SC*.SBendtrans-111.7-12.6-179.161.50000113.4N28 S86N28-T56 PolarHBondContact ND2-OG1 2.94Å; N28-T56 PolarHBondContact OD1-N 2.97Å; N28-T56 PolarHBondContact OD1-OG1 3.16Å; N28-T56 VanDerWaalsContact OD1-OG1 3.09Å; T56-S86 VanDerWaalsContact C-CB 3.48Å; T56-S86 WeakPolarHBondContact O-CB 3.5Å
57S96.4Very high97.1Very high23 Ų2334.1 Ų34.116%0.16119%0.191CC..SBendtrans-97.9-14.8178.862.60000114.9N28 V30 R31 A59N28-S57 VanDerWaalsContact CA-OG 3.27Å; N28-S57 WeakPolarHBondContact CA-OG 3.38Å; N28-S57 WeakPolarHBondContact O-CB 3.41Å; N28-S57 PolarHBondContact O-OG 2.88Å; N28-S57 VanDerWaalsContact O-OG 3.09Å; V30-S57 CarbonylContact O-C 3.57Å; V30-S57 PolarHBondContact O-OG 3.36Å; R31-S57 WeakPolarHBondContact CA-O 3.35Å; S57-A59 PolarHBondContact O-N 2.93Å
58L97.7Very high97.1Very high0 Ų029.8 Ų29.80%017%0.174CC..  trans-77.9106.3-170.9-173.275.9000110.6L25 V30 L33 L52 A55 Q60 L61 S86 I87L25-L58 HydrophobicContact CD2-CB 4.48Å; L25-L58 HydrophobicContact CD2-CD1 4.15Å; L25-L58 HydrophobicContact CD2-CD2 3.98Å; L25-L58 HydrophobicContact CD2-CG 4.46Å; V30-L58 HydrophobicContact CB-CD1 4.45Å; V30-L58 HydrophobicContact CG1-CD1 3.8Å; V30-L58 WeakPolarHBondContact O-CA 3.5Å; V30-L58 PolarHBondContact O-N 3.09Å; L33-L58 HydrophobicContact CB-CD1 3.75Å; L52-L58 HydrophobicContact CD2-CD2 3.22Å; A55-L58 HydrophobicContact CB-CB 4.31Å; L58-Q60 WeakPolarHBondContact CD1-O 3.32Å; L58-L61 HydrophobicContact CD2-CB 4.31Å; L58-L61 HydrophobicContact CD2-CD1 4.45Å; L58-S86 CarbonylContact O-C 3.36Å; L58-S86 WeakPolarHBondContact O-CB 3.47Å; L58-S86 VanDerWaalsContact O-O 3.11Å; L58-S86 PolarHBondContact O-OG 3.42Å; L58-I87 HydrophobicContact CD2-CD1 4.22Å; L58-I87 HydrophobicContact CD2-CG1 4.1Å; L58-I87 HydrophobicContact CG-CG1 4.42Å; L58-I87 WeakPolarHBondContact O-CA 3.43Å; L58-I87 PolarHBondContact O-N 3.5Å
59A97.7Very high96.8Very high8 Ų832.4 Ų32.47%0.06619%0.193CC..  trans-88.2-34.4178.300000112.3R31 S57 Q88 S89R31-A59 HydrophobicContact CG-CB 4.01Å; R31-A59 PolarHBondContact O-N 2.94Å; S57-A59 PolarHBondContact O-N 2.93Å; A59-Q88 WeakPolarHBondContact O-CA 3.49Å; A59-Q88 WeakPolarHBondContact O-CB 3.42Å; A59-Q88 PolarHBondContact O-N 2.94Å; A59-S89 PolarHBondContact O-N 2.99Å
60Q98.4Very high96.7Very high73 Ų7333.3 Ų33.334%0.34120%0.199SC..EExtended strand (participates in β ladder)trans-127.3129-175.3-62.5-170-18.900111.8R31 L32 L33 L58R31-Q60 PolarHBondContact O-N 2.96Å; R31-Q60 VanDerWaalsContact O-N 3.09Å; L32-Q60 WeakPolarHBondContact CA-O 3.47Å; L32-Q60 HydrophobicContact CB-CB 4.36Å; L32-Q60 HydrophobicContact CD1-CB 4.49Å; L32-Q60 VanDerWaalsContact CD1-OE1 3.24Å; L32-Q60 HydrophobicContact CG-CB 4.06Å; L33-Q60 PolarHBondContact N-O 3.38Å; L58-Q60 WeakPolarHBondContact CD1-O 3.32Å
61L98.6Very high96.5Very high0 Ų029.3 Ų29.30%020%0.196CC..EExtended strand (participates in β ladder)trans-124.9111.6176.9179.158.9000109.7L33 L52 L58 L63 L77 I87 S89 L90 F91L33-L61 HydrophobicContact CB-CD1 4.26Å; L33-L61 HydrophobicContact CD2-CD1 4.06Å; L33-L61 HydrophobicContact CG-CD1 4.26Å; L33-L61 WeakPolarHBondContact O-CA 3.32Å; L52-L61 HydrophobicContact CD1-CD1 4.32Å; L52-L61 HydrophobicContact CD1-CD2 3.82Å; L52-L61 HydrophobicContact CD2-CD1 4.28Å; L52-L61 HydrophobicContact CD2-CD2 4.35Å; L58-L61 HydrophobicContact CD2-CB 4.31Å; L58-L61 HydrophobicContact CD2-CD1 4.45Å; L61-L63 HydrophobicContact CD1-CD1 4.34Å; L61-L63 HydrophobicContact CD1-CD2 3.89Å; L61-L63 HydrophobicContact CD1-CG 3.95Å; L61-L63 HydrophobicContact CD2-CD1 3.98Å; L61-L63 HydrophobicContact CD2-CG 4.39Å; L61-L63 HydrophobicContact CG-CD1 4.07Å; L61-L63 HydrophobicContact CG-CD2 4.43Å; L61-L63 HydrophobicContact CG-CG 3.93Å; L61-L77 HydrophobicContact CD2-CD1 4.22Å; L61-I87 HydrophobicContact CB-CD1 4.31Å; L61-I87 HydrophobicContact CB-CG2 4.44Å; L61-I87 HydrophobicContact CD2-CD1 3.9Å; L61-S89 PolarHBondContact N-O 2.96Å; L61-L90 HydrophobicContact CB-CD1 4.24Å; L61-L90 HydrophobicContact CD2-CD1 3.99Å; L61-L90 HydrophobicContact CG-CD1 4.11Å; L61-F91 PolarHBondContact O-N 2.81Å
62N98.5Very high96.5Very high33 Ų3331.7 Ų31.718%0.17621%0.212CC..EExtended strand (participates in β ladder)trans-108.4113.6176.4-175.1-26.2000110.4L33 S34 L35 N64 F91L33-N62 PolarHBondContact O-N 2.95Å; S34-N62 WeakPolarHBondContact CA-O 3.45Å; L35-N62 PolarHBondContact N-O 2.99Å; N62-N64 VanDerWaalsContact OD1-CB 3.32Å; N62-N64 WeakPolarHBondContact OD1-CB 3.29Å; N62-N64 VanDerWaalsContact OD1-CG 3.23Å; N62-N64 PolarHBondContact OD1-N 3.29Å; N62-N64 PolarHBondContact OD1-OD1 3.02Å; N62-F91 HydrophobicContact CB-CB 4.24Å; N62-F91 HydrophobicContact CB-CD2 3.89Å; N62-F91 HydrophobicContact CB-CG 4.46Å
63L98.3Very high96.5Very high1 Ų132.6 Ų32.61%0.00522%0.216CC..  trans-121.826.8178.5-57.9174.7000111L35 F45 L61 V67 V68 L77 F91 L92L35-L63 HydrophobicContact CB-CD2 4.21Å; L35-L63 HydrophobicContact CD1-CD2 4.14Å; L35-L63 HydrophobicContact CG-CD2 4.45Å; F45-L63 HydrophobicContact CE2-CD1 4.2Å; F45-L63 HydrophobicContact CE2-CD2 4.4Å; F45-L63 HydrophobicContact CZ-CD1 4.21Å; L61-L63 HydrophobicContact CD1-CD1 4.34Å; L61-L63 HydrophobicContact CD1-CD2 3.89Å; L61-L63 HydrophobicContact CD1-CG 3.95Å; L61-L63 HydrophobicContact CD2-CD1 3.98Å; L61-L63 HydrophobicContact CD2-CG 4.39Å; L61-L63 HydrophobicContact CG-CD1 4.07Å; L61-L63 HydrophobicContact CG-CD2 4.43Å; L61-L63 HydrophobicContact CG-CG 3.93Å; L63-V67 HydrophobicContact CB-CB 4.11Å; L63-V67 HydrophobicContact CB-CG1 4.28Å; L63-V67 HydrophobicContact CD2-CG1 3.93Å; L63-V67 WeakPolarHBondContact O-CB 3.29Å; L63-V68 HydrophobicContact CB-CG2 3.94Å; L63-V68 HydrophobicContact CD1-CG2 3.81Å; L63-L77 HydrophobicContact CD1-CD1 4.06Å; L63-L77 HydrophobicContact CD1-CD2 4.13Å; L63-F91 PolarHBondContact N-O 2.97Å; L63-L92 HydrophobicContact CB-CD2 4.07Å; L63-L92 HydrophobicContact CD1-CD2 4.27Å
64N98Very high96.5Very high10 Ų1031.7 Ų31.75%0.05321%0.208CC..THydrogen-bonded Turntrans-59.3157.9-178.2-691.5000111.8R36 G37 N62 F91 L92 H93R36-N64 CarbonylContact C-O 3.49Å; R36-N64 VanDerWaalsContact CA-O 3.28Å; R36-N64 WeakPolarHBondContact CA-O 3.42Å; R36-N64 HydrophobicContact CG-CB 4.08Å; R36-N64 VanDerWaalsContact NH1-CB 3.26Å; G37-N64 PolarHBondContact N-O 3.06Å; N62-N64 VanDerWaalsContact OD1-CB 3.32Å; N62-N64 WeakPolarHBondContact OD1-CB 3.29Å; N62-N64 VanDerWaalsContact OD1-CG 3.23Å; N62-N64 PolarHBondContact OD1-N 3.29Å; N62-N64 PolarHBondContact OD1-OD1 3.02Å; N64-F91 WeakPolarHBondContact OD1-CA 3.2Å; N64-F91 WeakPolarHBondContact OD1-CB 3.43Å; N64-F91 PolarHBondContact OD1-O 3.34Å; N64-F91 VanDerWaalsContact OD1-O 3.11Å; N64-L92 PolarHBondContact OD1-N 3.1Å; N64-L92 VanDerWaalsContact OD1-N 3.09Å; N64-H93 CarbonylContact C-O 3.41Å; N64-H93 VanDerWaalsContact CA-O 3.24Å; N64-H93 WeakPolarHBondContact CA-O 3.45Å; N64-H93 HydrophobicContact CB-CB 4.19Å; N64-H93 WeakPolarHBondContact CB-O 3.41Å; N64-H93 WeakPolarHBondContact ND2-CB 3.43Å; N64-H93 PolarHBondContact OD1-N 3.22Å
65L95.6Very high96.6Very high74 Ų7435.1 Ų35.139%0.38721%0.207SC..THydrogen-bonded Turntrans60.877175.6-52.9-176.2000113.6R36 G37 V67 H93R36-L65 HydrophobicContact CG-CB 4.47Å; R36-L65 HydrophobicContact CG-CD1 3.97Å; R36-L65 HydrophobicContact CG-CG 4.12Å; G37-L65 VanDerWaalsContact CA-O 3.27Å; G37-L65 WeakPolarHBondContact CA-O 3.44Å; G37-L65 PolarHBondContact N-O 2.8Å; L65-V67 PolarHBondContact O-N 3.49Å; L65-H93 PolarHBondContact N-O 3.18Å
66G88.3Confident96.7Very high30 Ų3037.6 Ų37.631%0.30922%0.218SC..THydrogen-bonded Turntrans70.47.1164.500000116.5S69 G94G66-S69 WeakPolarHBondContact O-CB 3.16Å; G66-S69 PolarHBondContact O-OG 3.12Å; G66-G94 PolarHBondContact N-O 3Å
67V95.1Very high96.8Very high0 Ų032.6 Ų32.60%019%0.188CC..THydrogen-bonded Turntrans-66.8-41.7173.5-174.60000109.8L35 L40 F45 L63 L65 S69 R73L35-V67 WeakPolarHBondContact O-CG2 3.37Å; L40-V67 HydrophobicContact CD2-CG1 4Å; F45-V67 HydrophobicContact CD2-CG1 4.04Å; F45-V67 HydrophobicContact CE2-CG1 3.81Å; L63-V67 HydrophobicContact CB-CB 4.11Å; L63-V67 HydrophobicContact CB-CG1 4.28Å; L63-V67 HydrophobicContact CD2-CG1 3.93Å; L63-V67 WeakPolarHBondContact O-CB 3.29Å; L65-V67 PolarHBondContact O-N 3.49Å; V67-S69 PolarHBondContact O-N 3.18Å; V67-R73 WeakPolarHBondContact O-CD 3.26Å; V67-R73 PolarHBondContact O-NH1 3.15Å
68V97.1Very high96.9Very high0 Ų032.2 Ų32.20%019%0.186CC..THydrogen-bonded Turntrans-98.964.5176.6-166.40000110.1F45 L63 R73 I74 L77 L92 L97F45-V68 HydrophobicContact CE2-CG2 4.29Å; F45-V68 HydrophobicContact CZ-CG2 3.95Å; L63-V68 HydrophobicContact CB-CG2 3.94Å; L63-V68 HydrophobicContact CD1-CG2 3.81Å; V68-R73 HydrophobicContact CG1-CB 4.21Å; V68-I74 HydrophobicContact CG1-CB 4.46Å; V68-I74 HydrophobicContact CG1-CG1 3.66Å; V68-L77 HydrophobicContact CG1-CD2 4.38Å; V68-L77 HydrophobicContact CG2-CD2 4.1Å; V68-L92 HydrophobicContact CB-CD2 4.46Å; V68-L92 HydrophobicContact CG2-CD2 3.77Å; V68-L97 HydrophobicContact CG1-CD2 4.27Å
69S93.1Very high96.9Very high56 Ų5636.8 Ų36.839%0.39221%0.207SC..  trans-101.96.4-169.943.40000115.9G66 V67G66-S69 WeakPolarHBondContact O-CB 3.16Å; G66-S69 PolarHBondContact O-OG 3.12Å; V67-S69 PolarHBondContact O-N 3.18Å
70S95.5Very high96.9Very high24 Ų2436.6 Ų36.617%0.16821%0.206CC..SBendtrans-139.1152.1178.885.80000112.1D42 S72 R73 I74D42-S70 PolarHBondContact OD2-OG 3.29Å; S70-S72 PolarHBondContact O-N 3.12Å; S70-S72 VanDerWaalsContact O-N 3.12Å; S70-S72 PolarHBondContact OG-N 3.04Å; S70-R73 PolarHBondContact O-N 3.22Å; S70-R73 PolarHBondContact OG-N 3.46Å; S70-I74 WeakPolarHBondContact O-CG1 3.11Å; S70-I74 PolarHBondContact O-N 3.03Å
71P95.8Very high96.9Very high92 Ų9233.3 Ų33.360%0.59719%0.19SC*.Hα-helixtrans-56.1-29.2173.9-27.235.2000113.7K75P71-K75 VanDerWaalsContact O-CG 3.29Å; P71-K75 WeakPolarHBondContact O-CG 3.41Å; P71-K75 PolarHBondContact O-N 2.82Å; P71-K75 VanDerWaalsContact O-N 3.14Å
72S97.1Very high96.8Very high53 Ų5340.1 Ų40.137%0.37122%0.216SC..Hα-helixtrans-65-46.6174.4175.60000111.2D42 S70 K75 Q76D42-S72 WeakPolarHBondContact OD2-CB 3.21Å; D42-S72 PolarHBondContact OD2-OG 3.4Å; S70-S72 PolarHBondContact O-N 3.12Å; S70-S72 VanDerWaalsContact O-N 3.12Å; S70-S72 PolarHBondContact OG-N 3.04Å; S72-K75 PolarHBondContact O-N 3.4Å; S72-Q76 WeakPolarHBondContact O-CG 3.47Å; S72-Q76 PolarHBondContact O-N 3.11Å
73R97.9Very high96.7Very high22 Ų2241.4 Ų41.48%0.08323%0.225CC..Hα-helixtrans-65.8-41.5177.2-66.4-173.3-167.1-1763.9112.4L40 D42 F45 V67 V68 S70 K75 Q76 L77L40-R73 PolarHBondContact O-NH2 3.06Å; D42-R73 IonicContact OD1-CZ 3.59Å; D42-R73 IonicContact OD1-NE 3.54Å; D42-R73 PolarHBondContact OD1-NE 2.79Å; D42-R73 IonicContact OD1-NH2 3.41Å; D42-R73 PolarHBondContact OD1-NH2 3.23Å; F45-R73 HydrophobicContact CB-CG 4.35Å; F45-R73 HydrophobicContact CD1-CB 3.69Å; F45-R73 HydrophobicContact CD1-CG 3.59Å; F45-R73 HydrophobicContact CE1-CB 3.63Å; F45-R73 HydrophobicContact CE1-CG 4.06Å; F45-R73 WeakPolarHBondContact CE1-O 3.36Å; F45-R73 HydrophobicContact CG-CB 4.44Å; F45-R73 HydrophobicContact CG-CG 3.98Å; F45-R73 HydrophobicContact CZ-CB 4.33Å; V67-R73 WeakPolarHBondContact O-CD 3.26Å; V67-R73 PolarHBondContact O-NH1 3.15Å; V68-R73 HydrophobicContact CG1-CB 4.21Å; S70-R73 PolarHBondContact O-N 3.22Å; S70-R73 PolarHBondContact OG-N 3.46Å; R73-K75 VanDerWaalsContact C-N 3.29Å; R73-K75 PolarHBondContact O-N 3.24Å; R73-Q76 PolarHBondContact O-N 2.73Å; R73-Q76 VanDerWaalsContact O-N 3.15Å; R73-L77 WeakPolarHBondContact O-CB 3.5Å; R73-L77 PolarHBondContact O-N 3.16Å
74I98.4Very high96.7Very high6 Ų641.4 Ų41.43%0.03123%0.225CC..Hα-helixtrans-56.4-46.3175.7-63.8170.6000110.1V68 S70 L77 A78 L97 G101 L104 L105V68-I74 HydrophobicContact CG1-CB 4.46Å; V68-I74 HydrophobicContact CG1-CG1 3.66Å; S70-I74 WeakPolarHBondContact O-CG1 3.11Å; S70-I74 PolarHBondContact O-N 3.03Å; I74-L77 PolarHBondContact O-N 3.31Å; I74-A78 WeakPolarHBondContact O-CB 3.14Å; I74-A78 PolarHBondContact O-N 3.44Å; I74-L97 HydrophobicContact CD1-CD2 3.95Å; I74-L97 HydrophobicContact CG1-CD2 3.94Å; I74-G101 WeakPolarHBondContact CG2-O 3.44Å; I74-L104 HydrophobicContact CG2-CB 3.92Å; I74-L104 HydrophobicContact CG2-CD1 4.16Å; I74-L105 HydrophobicContact CG2-CD1 4.12Å; I74-L105 HydrophobicContact CG2-CD2 4.46Å; I74-L105 HydrophobicContact CG2-CG 3.85Å
75K98Very high96.6Very high126 Ų12647.9 Ų47.955%0.54825%0.249SC..Hα-helixtrans-63.8-42.1176.2-71.2174.6-176.4-1790113P71 S72 R73 L77 A78 E79 L104P71-K75 VanDerWaalsContact O-CG 3.29Å; P71-K75 WeakPolarHBondContact O-CG 3.41Å; P71-K75 PolarHBondContact O-N 2.82Å; P71-K75 VanDerWaalsContact O-N 3.14Å; S72-K75 PolarHBondContact O-N 3.4Å; R73-K75 VanDerWaalsContact C-N 3.29Å; R73-K75 PolarHBondContact O-N 3.24Å; K75-L77 VanDerWaalsContact C-N 3.33Å; K75-A78 PolarHBondContact O-N 2.54Å; K75-E79 PolarHBondContact O-N 3.16Å; K75-L104 HydrophobicContact CG-CD1 4.04Å
76Q98.3Very high96.7Very high54 Ų5445 Ų4525%0.25224%0.235SC..Hα-helixtrans-63.8-40.1177.9-73.2174.7-23.800111.8D42 F45 C49 S72 R73 A80D42-Q76 PolarHBondContact O-NE2 3.36Å; D42-Q76 PolarHBondContact O-OE1 3.49Å; F45-Q76 HydrophobicContact CD1-CB 4.23Å; F45-Q76 HydrophobicContact CE1-CB 4.23Å; C49-Q76 HydrophobicContact CB-CB 4.21Å; S72-Q76 WeakPolarHBondContact O-CG 3.47Å; S72-Q76 PolarHBondContact O-N 3.11Å; R73-Q76 PolarHBondContact O-N 2.73Å; R73-Q76 VanDerWaalsContact O-N 3.15Å; Q76-A80 PolarHBondContact O-N 2.91Å; Q76-A80 VanDerWaalsContact O-N 3.15Å
77L98.6Very high97.1Very high0 Ų043.7 Ų43.70%022%0.22CC..Hα-helixtrans-67.1-46174.8-179.961.7000111.3F45 L61 L63 V68 R73 I74 K75 E79 A80 L81 L92 L105F45-L77 HydrophobicContact CE1-CB 4.33Å; F45-L77 HydrophobicContact CZ-CB 4.32Å; L61-L77 HydrophobicContact CD2-CD1 4.22Å; L63-L77 HydrophobicContact CD1-CD1 4.06Å; L63-L77 HydrophobicContact CD1-CD2 4.13Å; V68-L77 HydrophobicContact CG1-CD2 4.38Å; V68-L77 HydrophobicContact CG2-CD2 4.1Å; R73-L77 WeakPolarHBondContact O-CB 3.5Å; R73-L77 PolarHBondContact O-N 3.16Å; I74-L77 PolarHBondContact O-N 3.31Å; K75-L77 VanDerWaalsContact C-N 3.33Å; L77-E79 VanDerWaalsContact C-N 3.31Å; L77-E79 PolarHBondContact O-N 2.87Å; L77-A80 PolarHBondContact O-N 2.94Å; L77-A80 VanDerWaalsContact O-N 3.13Å; L77-L81 HydrophobicContact CD1-CD1 4.06Å; L77-L81 HydrophobicContact CD1-CG 4.04Å; L77-L81 HydrophobicContact CD2-CD1 4.48Å; L77-L81 HydrophobicContact CG-CD1 3.88Å; L77-L81 HydrophobicContact CG-CG 4.29Å; L77-L81 WeakPolarHBondContact O-CG 3.38Å; L77-L81 PolarHBondContact O-N 3.49Å; L77-L92 HydrophobicContact CD2-CD1 4.32Å; L77-L92 HydrophobicContact CD2-CD2 3.79Å; L77-L105 HydrophobicContact CB-CD2 4.18Å; L77-L105 HydrophobicContact CD2-CD2 3.98Å; L77-L105 HydrophobicContact CG-CD2 3.93Å
78A98.3Very high97.2Very high14 Ų1447.8 Ų47.812%0.11624%0.24CC..Hα-helixtrans-55.9-45.3177.500000111.9I74 K75 A80 L81 R82 L104 L105 A108I74-A78 WeakPolarHBondContact O-CB 3.14Å; I74-A78 PolarHBondContact O-N 3.44Å; K75-A78 PolarHBondContact O-N 2.54Å; A78-A80 PolarHBondContact O-N 2.91Å; A78-L81 PolarHBondContact O-N 3.13Å; A78-R82 WeakPolarHBondContact O-CB 3.11Å; A78-R82 PolarHBondContact O-N 2.86Å; A78-L104 WeakPolarHBondContact CB-O 3.18Å; A78-L105 HydrophobicContact CB-CD2 3.9Å; A78-A108 WeakPolarHBondContact O-CB 3.27Å
79E98.1Very high97.3Very high97 Ų9748.3 Ų48.345%0.45324%0.244SC..Hα-helixtrans-66.4-37.6178.2-177.359-169.900112.3K75 L77 R82K75-E79 PolarHBondContact O-N 3.16Å; L77-E79 VanDerWaalsContact C-N 3.31Å; L77-E79 PolarHBondContact O-N 2.87Å; E79-R82 WeakPolarHBondContact O-CB 3.4Å; E79-R82 PolarHBondContact O-N 2.95Å; E79-R82 IonicContact OE1-CZ 3.27Å; E79-R82 IonicContact OE1-NE 2.79Å; E79-R82 IonicContact OE1-NH2 3.54Å; E79-R82 PolarHBondContact OE1-NH2 3.18Å; E79-R82 IonicContact OE2-CZ 3.73Å; E79-R82 IonicContact OE2-NE 3.06Å; E79-R82 PolarHBondContact OE2-NE 2.84Å; E79-R82 IonicContact OE2-NH2 2.74Å; E79-R82 PolarHBondContact OE2-NH2 3Å
80A98.3Very high97.6Very high4 Ų445.7 Ų45.73%0.03323%0.225CC..Hα-helixtrans-64.9-44.2175.500000112.2C49 L52 A53 Q76 L77 A78 R82 T83 N84C49-A80 HydrophobicContact CB-CB 3.98Å; C49-A80 VanDerWaalsContact O-CB 3.22Å; C49-A80 WeakPolarHBondContact O-CB 3.38Å; L52-A80 HydrophobicContact CB-CB 4.33Å; A53-A80 HydrophobicContact CB-CB 4.32Å; Q76-A80 PolarHBondContact O-N 2.91Å; Q76-A80 VanDerWaalsContact O-N 3.15Å; L77-A80 PolarHBondContact O-N 2.94Å; L77-A80 VanDerWaalsContact O-N 3.13Å; A78-A80 PolarHBondContact O-N 2.91Å; A80-R82 VanDerWaalsContact C-N 3.28Å; A80-R82 PolarHBondContact O-N 3.47Å; A80-T83 PolarHBondContact O-N 3.03Å; A80-T83 PolarHBondContact O-OG1 3.4Å; A80-N84 VanDerWaalsContact O-CB 3.29Å; A80-N84 WeakPolarHBondContact O-CB 3.49Å; A80-N84 PolarHBondContact O-N 3.42Å
81L98Very high97.7Very high3 Ų345.2 Ų45.22%0.01622%0.22CC..Hα-helixtrans-67-29.7178.4-68.1174.5000112.2L77 A78 T83 I87 L90 L105 A108 L109 H112L77-L81 HydrophobicContact CD1-CD1 4.06Å; L77-L81 HydrophobicContact CD1-CG 4.04Å; L77-L81 HydrophobicContact CD2-CD1 4.48Å; L77-L81 HydrophobicContact CG-CD1 3.88Å; L77-L81 HydrophobicContact CG-CG 4.29Å; L77-L81 WeakPolarHBondContact O-CG 3.38Å; L77-L81 PolarHBondContact O-N 3.49Å; A78-L81 PolarHBondContact O-N 3.13Å; L81-T83 PolarHBondContact O-N 3.33Å; L81-I87 HydrophobicContact CD2-CD1 3.76Å; L81-L90 HydrophobicContact CD1-CD2 3.78Å; L81-L105 HydrophobicContact CD1-CD2 4.27Å; L81-A108 HydrophobicContact CB-CB 3.78Å; L81-L109 HydrophobicContact CD1-CD2 3.93Å; L81-H112 PolarHBondContact O-CD2 3.34Å
82R96.8Very high97.9Very high143 Ų14340.9 Ų40.954%0.5419%0.192SC..Hα-helixtrans-61.2-32.6177.5-168.6175.970.997.92.8112.7A78 E79 A80 R85 A108A78-R82 WeakPolarHBondContact O-CB 3.11Å; A78-R82 PolarHBondContact O-N 2.86Å; E79-R82 WeakPolarHBondContact O-CB 3.4Å; E79-R82 PolarHBondContact O-N 2.95Å; E79-R82 IonicContact OE1-CZ 3.27Å; E79-R82 IonicContact OE1-NE 2.79Å; E79-R82 IonicContact OE1-NH2 3.54Å; E79-R82 PolarHBondContact OE1-NH2 3.18Å; E79-R82 IonicContact OE2-CZ 3.73Å; E79-R82 IonicContact OE2-NE 3.06Å; E79-R82 PolarHBondContact OE2-NE 2.84Å; E79-R82 IonicContact OE2-NH2 2.74Å; E79-R82 PolarHBondContact OE2-NH2 3Å; A80-R82 VanDerWaalsContact C-N 3.28Å; A80-R82 PolarHBondContact O-N 3.47Å; R82-R85 PolarHBondContact O-NH1 3.09Å; R82-R85 PolarHBondContact O-NH2 2.86Å; R82-R85 VanDerWaalsContact O-NH2 3.09Å; R82-A108 HydrophobicContact CB-CB 4.38Å
83T96.4Very high97.9Very high61 Ų6139.7 Ų39.737%0.37418%0.18SC..Hα-helixtrans-102-28.2179.564.20000113.3A53 A80 L81A53-T83 WeakPolarHBondContact CA-OG1 3.44Å; A53-T83 VanDerWaalsContact CB-OG1 3.29Å; A53-T83 WeakPolarHBondContact CB-OG1 3.36Å; A53-T83 PolarHBondContact O-OG1 2.98Å; A80-T83 PolarHBondContact O-N 3.03Å; A80-T83 PolarHBondContact O-OG1 3.4Å; L81-T83 PolarHBondContact O-N 3.33Å
84N97.9Very high97.9Very high1 Ų139.3 Ų39.31%0.00518%0.183CC..  trans-61.1146.7176-171.8-77.5000110.6L52 A55 A80 S86 I87 H112L52-N84 PolarHBondContact O-ND2 3.38Å; A55-N84 PolarHBondContact O-ND2 3.26Å; A55-N84 VanDerWaalsContact O-ND2 3.1Å; A80-N84 VanDerWaalsContact O-CB 3.29Å; A80-N84 WeakPolarHBondContact O-CB 3.49Å; A80-N84 PolarHBondContact O-N 3.42Å; N84-S86 PolarHBondContact ND2-OG 2.94Å; N84-S86 PolarHBondContact OD1-N 3.31Å; N84-S86 PolarHBondContact OD1-OG 2.8Å; N84-I87 HydrophobicContact CB-CD1 4.47Å; N84-I87 WeakPolarHBondContact OD1-CG1 3.17Å; N84-I87 PolarHBondContact OD1-N 3.4Å; N84-H112 PolarHBondContact O-NE2 2.85Å; N84-H112 PolarHBondContact OD1-NE2 3.22Å
85R96.1Very high97.8Very high146 Ų14639 Ų3955%0.55118%0.182SC*.  trans-133.43-179-57.8-70.3174.8-106.64.7112.5R82 P113R82-R85 PolarHBondContact O-NH1 3.09Å; R82-R85 PolarHBondContact O-NH2 2.86Å; R82-R85 VanDerWaalsContact O-NH2 3.09Å; R85-P113 HydrophobicContact CB-CG 4.2Å; R85-P113 HydrophobicContact CG-CG 4.5Å
86S97Very high97.7Very high13 Ų1335.5 Ų35.59%0.09117%0.172CC..  trans-109.7-28-169.454.50000113.7A55 T56 L58 N84 Q88A55-S86 PolarHBondContact O-OG 3.15Å; T56-S86 VanDerWaalsContact C-CB 3.48Å; T56-S86 WeakPolarHBondContact O-CB 3.5Å; L58-S86 CarbonylContact O-C 3.36Å; L58-S86 WeakPolarHBondContact O-CB 3.47Å; L58-S86 VanDerWaalsContact O-O 3.11Å; L58-S86 PolarHBondContact O-OG 3.42Å; N84-S86 PolarHBondContact ND2-OG 2.94Å; N84-S86 PolarHBondContact OD1-N 3.31Å; N84-S86 PolarHBondContact OD1-OG 2.8Å; S86-Q88 PolarHBondContact O-N 3.09Å
87I97.8Very high97.7Very high2 Ų233 Ų331%0.0116%0.16CC..  trans-66.6124.2-176.5-66.6165.2000110.4L58 L61 L81 N84 L90 H112 A114L58-I87 HydrophobicContact CD2-CD1 4.22Å; L58-I87 HydrophobicContact CD2-CG1 4.1Å; L58-I87 HydrophobicContact CG-CG1 4.42Å; L58-I87 WeakPolarHBondContact O-CA 3.43Å; L58-I87 PolarHBondContact O-N 3.5Å; L61-I87 HydrophobicContact CB-CD1 4.31Å; L61-I87 HydrophobicContact CB-CG2 4.44Å; L61-I87 HydrophobicContact CD2-CD1 3.9Å; L81-I87 HydrophobicContact CD2-CD1 3.76Å; N84-I87 HydrophobicContact CB-CD1 4.47Å; N84-I87 WeakPolarHBondContact OD1-CG1 3.17Å; N84-I87 PolarHBondContact OD1-N 3.4Å; I87-L90 HydrophobicContact CG2-CB 4.43Å; I87-H112 PolarHBondContact O-CE1 2.95Å; I87-H112 PolarHBondContact O-ND1 3.24Å; I87-A114 CarbonylContact O-C 3.47Å
88Q97.7Very high97.7Very high87 Ų8735.6 Ų35.641%0.40718%0.176SC..  trans-106.2-38.7179.6-66.6178.11.900111.5A59 S86 A114 V116 A117A59-Q88 WeakPolarHBondContact O-CA 3.49Å; A59-Q88 WeakPolarHBondContact O-CB 3.42Å; A59-Q88 PolarHBondContact O-N 2.94Å; S86-Q88 PolarHBondContact O-N 3.09Å; Q88-A114 WeakPolarHBondContact CA-O 3.45Å; Q88-A114 HydrophobicContact CG-CB 4.29Å; Q88-V116 HydrophobicContact CB-CG2 4.03Å; Q88-V116 WeakPolarHBondContact O-CG2 3.07Å; Q88-V116 PolarHBondContact O-N 2.9Å; Q88-A117 PolarHBondContact O-N 2.89Å
89S98.5Very high97.7Very high11 Ų1137.1 Ų37.18%0.07718%0.182CC..EExtended strand (participates in β ladder)trans-122.1125.2177.9-42.90000110.6A59 L61 A117A59-S89 PolarHBondContact O-N 2.99Å; L61-S89 PolarHBondContact N-O 2.96Å; S89-A117 WeakPolarHBondContact CA-O 3.49Å
90L98.6Very high97.7Very high0 Ų035.8 Ų35.80%019%0.188CC..EExtended strand (participates in β ladder)trans-120.9119177.4177.261.6000109.9L61 L81 I87 L92 L109 L115 A117 L118 D119L61-L90 HydrophobicContact CB-CD1 4.24Å; L61-L90 HydrophobicContact CD2-CD1 3.99Å; L61-L90 HydrophobicContact CG-CD1 4.11Å; L81-L90 HydrophobicContact CD1-CD2 3.78Å; I87-L90 HydrophobicContact CG2-CB 4.43Å; L90-L92 HydrophobicContact CD1-CD2 4.19Å; L90-L92 HydrophobicContact CD1-CG 4.24Å; L90-L92 HydrophobicContact CD2-CD1 4.05Å; L90-L92 HydrophobicContact CD2-CG 4.39Å; L90-L92 HydrophobicContact CG-CD1 4.27Å; L90-L92 HydrophobicContact CG-CG 4.05Å; L90-L109 HydrophobicContact CD2-CD2 3.76Å; L90-L115 HydrophobicContact CB-CD1 3.99Å; L90-A117 PolarHBondContact N-O 2.87Å; L90-L118 HydrophobicContact CB-CD1 4.2Å; L90-L118 HydrophobicContact CD2-CD1 4.09Å; L90-L118 HydrophobicContact CG-CD1 4.24Å; L90-D119 PolarHBondContact O-N 3.42Å
91F98.7Very high97.7Very high15 Ų1535.8 Ų35.87%0.06619%0.188CC..EExtended strand (participates in β ladder)trans-110.4120.2177.7-46.7-82.9000110.4L61 N62 L63 N64 D119 M302L61-F91 PolarHBondContact O-N 2.81Å; N62-F91 HydrophobicContact CB-CB 4.24Å; N62-F91 HydrophobicContact CB-CD2 3.89Å; N62-F91 HydrophobicContact CB-CG 4.46Å; L63-F91 PolarHBondContact N-O 2.97Å; N64-F91 WeakPolarHBondContact OD1-CA 3.2Å; N64-F91 WeakPolarHBondContact OD1-CB 3.43Å; N64-F91 PolarHBondContact OD1-O 3.34Å; N64-F91 VanDerWaalsContact OD1-O 3.11Å; F91-D119 HydrophobicContact CB-CB 4.32Å; F91-D119 HydrophobicContact CD1-CB 3.63Å; F91-D119 HydrophobicContact CE1-CB 4.46Å; F91-D119 HydrophobicContact CG-CB 4.44Å; F91-M302 HydrophobicContact CD1-CE 3.5Å; F91-M302 HydrophobicContact CE1-CE 3.09Å; F91-M302 HydrophobicContact CE1-SD 4.14Å; F91-M302 HydrophobicContact CG-CE 4.49Å; F91-M302 HydrophobicContact CZ-CE 3.74Å; F91-M302 HydrophobicContact CZ-SD 4.29Å
92L98.6Very high97.7Very high0 Ų035.7 Ų35.70%019%0.187CC..  trans-123.911.6179.7-63.8176.9000113L63 N64 V68 L77 L90 G94 S95 L97 L105 D119 L120 C123L63-L92 HydrophobicContact CB-CD2 4.07Å; L63-L92 HydrophobicContact CD1-CD2 4.27Å; N64-L92 PolarHBondContact OD1-N 3.1Å; N64-L92 VanDerWaalsContact OD1-N 3.09Å; V68-L92 HydrophobicContact CB-CD2 4.46Å; V68-L92 HydrophobicContact CG2-CD2 3.77Å; L77-L92 HydrophobicContact CD2-CD1 4.32Å; L77-L92 HydrophobicContact CD2-CD2 3.79Å; L90-L92 HydrophobicContact CD1-CD2 4.19Å; L90-L92 HydrophobicContact CD1-CG 4.24Å; L90-L92 HydrophobicContact CD2-CD1 4.05Å; L90-L92 HydrophobicContact CD2-CG 4.39Å; L90-L92 HydrophobicContact CG-CD1 4.27Å; L90-L92 HydrophobicContact CG-CG 4.05Å; L92-G94 PolarHBondContact O-N 2.74Å; L92-S95 WeakPolarHBondContact O-CB 3.29Å; L92-S95 PolarHBondContact O-N 3.49Å; L92-S95 PolarHBondContact O-OG 3.29Å; L92-L97 HydrophobicContact CD1-CD1 4.08Å; L92-L105 HydrophobicContact CD1-CD1 4.01Å; L92-D119 PolarHBondContact N-O 3.2Å; L92-L120 HydrophobicContact CB-CD2 4.27Å; L92-L120 HydrophobicContact CD1-CD2 4Å; L92-C123 PolarHBondContact O-SG 3.21Å
93H98.4Very high97.8Very high28 Ų2831.2 Ų31.213%0.1318%0.181CC..THydrogen-bonded Turntrans-48.3133.4-175.6-162106.4000112.9N64 L65 S95 D119 G121N64-H93 CarbonylContact C-O 3.41Å; N64-H93 VanDerWaalsContact CA-O 3.24Å; N64-H93 WeakPolarHBondContact CA-O 3.45Å; N64-H93 HydrophobicContact CB-CB 4.19Å; N64-H93 WeakPolarHBondContact CB-O 3.41Å; N64-H93 WeakPolarHBondContact ND2-CB 3.43Å; N64-H93 PolarHBondContact OD1-N 3.22Å; L65-H93 PolarHBondContact N-O 3.18Å; H93-S95 VanDerWaalsContact C-N 3.26Å; H93-S95 PolarHBondContact O-N 3.41Å; H93-D119 WeakPolarHBondContact CB-OD2 3.47Å; H93-D119 IonicContact CG-OD1 3.84Å; H93-D119 IonicContact ND1-OD1 3.66Å; H93-D119 PolarHBondContact ND1-OD1 3.14Å; H93-D119 IonicContact ND1-OD2 3.4Å; H93-G121 CarbonylContact C-O 3.39Å; H93-G121 WeakPolarHBondContact CA-O 3.32Å; H93-G121 WeakPolarHBondContact ND1-CA 3.46Å
94G97.5Very high97.9Very high14 Ų1431.8 Ų31.814%0.14418%0.182CC..THydrogen-bonded Turntrans68.225.2-178.600000113.3G66 L92 G121 D122G66-G94 PolarHBondContact N-O 3Å; L92-G94 PolarHBondContact O-N 2.74Å; G94-G121 PolarHBondContact N-O 3.14Å; G94-D122 VanDerWaalsContact CA-O 3.24Å; G94-D122 WeakPolarHBondContact CA-O 3.31Å; G94-D122 PolarHBondContact N-O 3.22Å
95S96.9Very high97.8Very high0 Ų031.8 Ų31.80%018%0.181CC..  trans-100.3122.9168.8-610000108.7L92 H93 L97 C123L92-S95 WeakPolarHBondContact O-CB 3.29Å; L92-S95 PolarHBondContact O-N 3.49Å; L92-S95 PolarHBondContact O-OG 3.29Å; H93-S95 VanDerWaalsContact C-N 3.26Å; H93-S95 PolarHBondContact O-N 3.41Å; S95-L97 PolarHBondContact O-N 3.45Å; S95-C123 VanDerWaalsContact O-CA 3.23Å; S95-C123 WeakPolarHBondContact O-CA 3.19Å; S95-C123 PolarHBondContact O-SG 3.06Å; S95-C123 VanDerWaalsContact O-SG 3.36Å
96P95.9Very high97.9Very high53 Ų5326 Ų2634%0.34416%0.162SC..  trans-73.971.5-176.931.9-37.2000111.1M124P96-M124 HydrophobicContact CB-SD 3.6Å
97L97.8Very high97.8Very high2 Ų229.1 Ų29.11%0.0118%0.182CC..  trans-70.5-45.7-177.4-63-178000110V68 I74 L92 S95 G101 L105 L120 C123 L125V68-L97 HydrophobicContact CG1-CD2 4.27Å; I74-L97 HydrophobicContact CD1-CD2 3.95Å; I74-L97 HydrophobicContact CG1-CD2 3.94Å; L92-L97 HydrophobicContact CD1-CD1 4.08Å; S95-L97 PolarHBondContact O-N 3.45Å; L97-G101 WeakPolarHBondContact O-CA 3.42Å; L97-G101 PolarHBondContact O-N 3.22Å; L97-L105 HydrophobicContact CD1-CD1 4.12Å; L97-L105 HydrophobicContact CD2-CD1 3.95Å; L97-L120 HydrophobicContact CD1-CD2 3.58Å; L97-C123 HydrophobicContact CB-CB 4.33Å; L97-C123 HydrophobicContact CD1-CB 4.19Å; L97-C123 HydrophobicContact CG-CB 4.26Å; L97-C123 PolarHBondContact N-O 3.49Å; L97-L125 HydrophobicContact CB-CD2 4.41Å
98T98.1Very high97.8Very high53 Ų5329.3 Ų29.333%0.32518%0.183SC..Hα-helixtrans58.1172.6-164.976.80000112.4A100 G101 L102 C123 M124T98-A100 PolarHBondContact O-N 3Å; T98-A100 PolarHBondContact OG1-N 2.94Å; T98-G101 PolarHBondContact O-N 3.15Å; T98-L102 PolarHBondContact O-N 2.99Å; T98-C123 PolarHBondContact N-O 2.98Å; T98-M124 WeakPolarHBondContact CA-O 3.34Å; T98-M124 HydrophobicContact CG2-CB 4.22Å; T98-M124 HydrophobicContact CG2-CE 4.49Å
99D98.5Very high97.7Very high47 Ų4725.4 Ų25.425%0.25117%0.165SC..Hα-helixtrans-56.1-38.7173.5-69.3-7.8000112.2L102 A103 G126 E128 A129D99-L102 PolarHBondContact O-N 3.17Å; D99-A103 WeakPolarHBondContact O-CB 3.27Å; D99-A103 PolarHBondContact O-N 2.67Å; D99-G126 WeakPolarHBondContact OD1-CA 3.24Å; D99-G126 PolarHBondContact OD1-N 3.07Å; D99-E128 HydrophobicContact CB-CB 4.05Å; D99-E128 WeakPolarHBondContact OD2-CB 3.23Å; D99-E128 PolarHBondContact OD2-N 3.43Å; D99-A129 WeakPolarHBondContact OD1-CB 3.44Å; D99-A129 PolarHBondContact OD1-N 3.49Å
100A98.1Very high97.5Very high69 Ų6927 Ų2757%0.5718%0.179SC*.Hα-helixtrans-67.8-37.9-179.100000112.5T98 L104T98-A100 PolarHBondContact O-N 3Å; T98-A100 PolarHBondContact OG1-N 2.94Å; A100-L104 WeakPolarHBondContact O-CG 3.39Å; A100-L104 PolarHBondContact O-N 3.03Å
101G98.1Very high97.1Very high4 Ų433.3 Ų33.34%0.04121%0.212CC..Hα-helixtrans-72.5-41177.100000112.1I74 L97 T98 A103 L104 L105I74-G101 WeakPolarHBondContact CG2-O 3.44Å; L97-G101 WeakPolarHBondContact O-CA 3.42Å; L97-G101 PolarHBondContact O-N 3.22Å; T98-G101 PolarHBondContact O-N 3.15Å; G101-A103 VanDerWaalsContact C-N 3.29Å; G101-A103 PolarHBondContact O-N 3.03Å; G101-L104 WeakPolarHBondContact O-CB 3.49Å; G101-L104 PolarHBondContact O-N 3.42Å; G101-L104 VanDerWaalsContact O-N 3.1Å; G101-L105 PolarHBondContact O-N 2.79Å
102L98.4Very high96.9Very high0 Ų032.9 Ų32.90%021%0.21CC..Hα-helixtrans-64.8-36.5175.4-169.262.9000111.4T98 D99 L104 L105 N106 L109 L120 L125 A129 L132 I133T98-L102 PolarHBondContact O-N 2.99Å; D99-L102 PolarHBondContact O-N 3.17Å; L102-L104 PolarHBondContact O-N 3.15Å; L102-L105 PolarHBondContact O-N 3.43Å; L102-N106 WeakPolarHBondContact O-CB 3.42Å; L102-N106 PolarHBondContact O-N 3.15Å; L102-L109 HydrophobicContact CD1-CD1 4.19Å; L102-L120 HydrophobicContact CD1-CD1 3.94Å; L102-L120 HydrophobicContact CD1-CD2 4.22Å; L102-L120 HydrophobicContact CD2-CD1 4.22Å; L102-L125 HydrophobicContact CB-CD2 4.33Å; L102-L125 HydrophobicContact CD2-CD1 4.4Å; L102-L125 HydrophobicContact CD2-CD2 4.24Å; L102-A129 HydrophobicContact CB-CB 4.48Å; L102-A129 HydrophobicContact CD2-CB 3.53Å; L102-L132 HydrophobicContact CG-CD1 4.48Å; L102-I133 HydrophobicContact CD2-CD1 3.78Å; L102-I133 HydrophobicContact CD2-CG1 3.82Å
103A98.4Very high96.6Very high49 Ų4935.9 Ų35.941%0.40523%0.23SC..Hα-helixtrans-58.6-29.9173.200000113.5D99 G101 P107 L132D99-A103 WeakPolarHBondContact O-CB 3.27Å; D99-A103 PolarHBondContact O-N 2.67Å; G101-A103 VanDerWaalsContact C-N 3.29Å; G101-A103 PolarHBondContact O-N 3.03Å; A103-P107 WeakPolarHBondContact O-CD 3.07Å; A103-L132 HydrophobicContact CB-CD1 3.97Å
104L98.1Very high96.4Very high74 Ų7435.7 Ų35.739%0.38723%0.233SC..Hα-helixtrans-76-34.7174.3-66.2171.7000112.7I74 K75 A78 A100 G101 L102I74-L104 HydrophobicContact CG2-CB 3.92Å; I74-L104 HydrophobicContact CG2-CD1 4.16Å; K75-L104 HydrophobicContact CG-CD1 4.04Å; A78-L104 WeakPolarHBondContact CB-O 3.18Å; A100-L104 WeakPolarHBondContact O-CG 3.39Å; A100-L104 PolarHBondContact O-N 3.03Å; G101-L104 WeakPolarHBondContact O-CB 3.49Å; G101-L104 PolarHBondContact O-N 3.42Å; G101-L104 VanDerWaalsContact O-N 3.1Å; L102-L104 PolarHBondContact O-N 3.15Å
105L97.4Very high96.4Very high0 Ų035.5 Ų35.50%023%0.229CC..Hα-helixtrans-80.1-34.3179.3-73.9166.7000112.6I74 L77 A78 L81 L92 L97 G101 L102 P107 A108 L109I74-L105 HydrophobicContact CG2-CD1 4.12Å; I74-L105 HydrophobicContact CG2-CD2 4.46Å; I74-L105 HydrophobicContact CG2-CG 3.85Å; L77-L105 HydrophobicContact CB-CD2 4.18Å; L77-L105 HydrophobicContact CD2-CD2 3.98Å; L77-L105 HydrophobicContact CG-CD2 3.93Å; A78-L105 HydrophobicContact CB-CD2 3.9Å; L81-L105 HydrophobicContact CD1-CD2 4.27Å; L92-L105 HydrophobicContact CD1-CD1 4.01Å; L97-L105 HydrophobicContact CD1-CD1 4.12Å; L97-L105 HydrophobicContact CD2-CD1 3.95Å; G101-L105 PolarHBondContact O-N 2.79Å; L102-L105 PolarHBondContact O-N 3.43Å; L105-P107 VanDerWaalsContact C-CD 3.47Å; L105-A108 WeakPolarHBondContact O-CB 3.28Å; L105-A108 PolarHBondContact O-N 3.32Å; L105-L109 HydrophobicContact CB-CD1 4.09Å; L105-L109 HydrophobicContact CB-CG 4.4Å; L105-L109 PolarHBondContact O-N 3.07Å; L105-L109 VanDerWaalsContact O-N 3.1Å
106N97.1Very high96.3Very high25 Ų2537.6 Ų37.613%0.13424%0.241CC..Hα-helixtrans-54.4-41.5-168.8-171.166.3000114.4L102 A108 L109 A110 L132L102-N106 WeakPolarHBondContact O-CB 3.42Å; L102-N106 PolarHBondContact O-N 3.15Å; N106-A108 PolarHBondContact O-N 2.9Å; N106-L109 PolarHBondContact O-N 3.06Å; N106-A110 VanDerWaalsContact O-CB 3.26Å; N106-A110 WeakPolarHBondContact O-CB 3.5Å; N106-A110 PolarHBondContact O-N 2.84Å; N106-L132 HydrophobicContact CB-CB 4.32Å; N106-L132 HydrophobicContact CB-CD1 4.23Å; N106-L132 HydrophobicContact CB-CD2 4.32Å
107P96.2Very high96.4Very high79 Ų7935.1 Ų35.151%0.51323%0.226SC..Hα-helixtrans-59-32.7176.6-25.435.4000113.7A103 L105 L111A103-P107 WeakPolarHBondContact O-CD 3.07Å; L105-P107 VanDerWaalsContact C-CD 3.47Å; P107-L111 WeakPolarHBondContact O-CG 3.16Å
108A96.3Very high96.5Very high5 Ų535.1 Ų35.14%0.04123%0.226CC..Hα-helixtrans-78.2-41.2176.300000111.5A78 L81 R82 L105 N106 H112A78-A108 WeakPolarHBondContact O-CB 3.27Å; L81-A108 HydrophobicContact CB-CB 3.78Å; R82-A108 HydrophobicContact CB-CB 4.38Å; L105-A108 WeakPolarHBondContact O-CB 3.28Å; L105-A108 PolarHBondContact O-N 3.32Å; N106-A108 PolarHBondContact O-N 2.9Å; A108-H112 WeakPolarHBondContact O-CB 3.24Å; A108-H112 PolarHBondContact O-N 3.33Å; A108-H112 VanDerWaalsContact O-N 3.15Å
109L96.2Very high96.5Very high6 Ų633.1 Ų33.13%0.03121%0.213CC..Hα-helixtrans-65.3-48178.4-60.7176.7000111.9L81 L90 L102 L105 N106 L111 H112 L115 L118 L136L81-L109 HydrophobicContact CD1-CD2 3.93Å; L90-L109 HydrophobicContact CD2-CD2 3.76Å; L102-L109 HydrophobicContact CD1-CD1 4.19Å; L105-L109 HydrophobicContact CB-CD1 4.09Å; L105-L109 HydrophobicContact CB-CG 4.4Å; L105-L109 PolarHBondContact O-N 3.07Å; L105-L109 VanDerWaalsContact O-N 3.1Å; N106-L109 PolarHBondContact O-N 3.06Å; L109-L111 PolarHBondContact O-N 2.97Å; L109-L111 VanDerWaalsContact O-N 3.16Å; L109-H112 WeakPolarHBondContact O-CB 3.48Å; L109-H112 PolarHBondContact O-N 2.85Å; L109-H112 VanDerWaalsContact O-N 3.08Å; L109-L115 HydrophobicContact CB-CD2 4.41Å; L109-L115 HydrophobicContact CD2-CD2 3.88Å; L109-L118 HydrophobicContact CD1-CD2 4.15Å; L109-L136 HydrophobicContact CB-CD1 4.31Å; L109-L136 HydrophobicContact CB-CD2 4.25Å
110A93.4Very high96.5Very high45 Ų4530.9 Ų30.937%0.37220%0.201SC..THydrogen-bonded Turntrans-65.6-18.8-177.400000114.3N106 L136N106-A110 VanDerWaalsContact O-CB 3.26Å; N106-A110 WeakPolarHBondContact O-CB 3.5Å; N106-A110 PolarHBondContact O-N 2.84Å; A110-L136 HydrophobicContact CB-CD2 3.62Å
111L91.8Very high96.5Very high131 Ų13127.6 Ų27.669%0.68617%0.174SC*.THydrogen-bonded Turntrans-109.93.6177.7-62.4178.3000112.5P107 L109P107-L111 WeakPolarHBondContact O-CG 3.16Å; L109-L111 PolarHBondContact O-N 2.97Å; L109-L111 VanDerWaalsContact O-N 3.16Å
112H94.6Very high96.5Very high7 Ų731.1 Ų31.13%0.03219%0.192CC..  trans-72.7124.1-178.6-157.2-85000109.8L81 N84 I87 A108 L109 A114 L115L81-H112 PolarHBondContact O-CD2 3.34Å; N84-H112 PolarHBondContact O-NE2 2.85Å; N84-H112 PolarHBondContact OD1-NE2 3.22Å; I87-H112 PolarHBondContact O-CE1 2.95Å; I87-H112 PolarHBondContact O-ND1 3.24Å; A108-H112 WeakPolarHBondContact O-CB 3.24Å; A108-H112 PolarHBondContact O-N 3.33Å; A108-H112 VanDerWaalsContact O-N 3.15Å; L109-H112 WeakPolarHBondContact O-CB 3.48Å; L109-H112 PolarHBondContact O-N 2.85Å; L109-H112 VanDerWaalsContact O-N 3.08Å; H112-A114 VanDerWaalsContact C-N 3.32Å; H112-A114 PolarHBondContact O-N 3.41Å; H112-L115 HydrophobicContact CB-CB 3.94Å; H112-L115 PolarHBondContact ND1-N 3.19Å
113P92.4Very high96.6Very high63 Ų6331.1 Ų31.141%0.40919%0.192SC..SBendtrans-79.1-14.1-169.132.9-39.7000114.4R85 S144R85-P113 HydrophobicContact CB-CG 4.2Å; R85-P113 HydrophobicContact CG-CG 4.5Å; P113-S144 WeakPolarHBondContact O-CB 3.48Å; P113-S144 PolarHBondContact O-OG 3.33Å
114A94.3Very high96.5Very high24 Ų2434.4 Ų34.420%0.19820%0.2CC..SBendtrans-125.1-2.9-170.100000113.4I87 Q88 H112 V116I87-A114 CarbonylContact O-C 3.47Å; Q88-A114 WeakPolarHBondContact CA-O 3.45Å; Q88-A114 HydrophobicContact CG-CB 4.29Å; H112-A114 VanDerWaalsContact C-N 3.32Å; H112-A114 PolarHBondContact O-N 3.41Å; A114-V116 PolarHBondContact O-N 2.77Å
115L95.8Very high96.6Very high10 Ų1031 Ų315%0.05218%0.182CC..  trans-71.3121.4-174.4-171.672.2000109.6L90 L109 H112 L146L90-L115 HydrophobicContact CB-CD1 3.99Å; L109-L115 HydrophobicContact CB-CD2 4.41Å; L109-L115 HydrophobicContact CD2-CD2 3.88Å; H112-L115 HydrophobicContact CB-CB 3.94Å; H112-L115 PolarHBondContact ND1-N 3.19Å; L115-L146 HydrophobicContact CD2-CD2 3.96Å; L115-L146 HydrophobicContact CG-CD2 3.88Å
116V96.2Very high96.6Very high43 Ų4331.4 Ų31.426%0.26119%0.186SC..  trans-121.7-25.8-179.9-62.90000112.6Q88 A114 K147 E148Q88-V116 HydrophobicContact CB-CG2 4.03Å; Q88-V116 WeakPolarHBondContact O-CG2 3.07Å; Q88-V116 PolarHBondContact O-N 2.9Å; A114-V116 PolarHBondContact O-N 2.77Å; V116-K147 HydrophobicContact CB-CG 4.45Å; V116-K147 PolarHBondContact O-N 3.23Å; V116-E148 PolarHBondContact O-N 2.74Å
117A98.1Very high96.7Very high2 Ų231.5 Ų31.52%0.01719%0.187CC..EExtended strand (participates in β ladder)trans-129.3130.1179.900000111Q88 S89 L90 E148Q88-A117 PolarHBondContact O-N 2.89Å; S89-A117 WeakPolarHBondContact CA-O 3.49Å; L90-A117 PolarHBondContact N-O 2.87Å; A117-E148 WeakPolarHBondContact CA-O 3.4Å; A117-E148 HydrophobicContact CB-CB 3.85Å; A117-E148 HydrophobicContact CB-CG 4.43Å
118L98.6Very high96.8Very high2 Ų233.3 Ų33.31%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-137.1120.3-179.3-179.961.2000110.7L90 L109 L120 L136 L146 E148 L149 T150L90-L118 HydrophobicContact CB-CD1 4.2Å; L90-L118 HydrophobicContact CD2-CD1 4.09Å; L90-L118 HydrophobicContact CG-CD1 4.24Å; L109-L118 HydrophobicContact CD1-CD2 4.15Å; L118-L120 HydrophobicContact CD1-CD2 4.2Å; L118-L120 HydrophobicContact CD1-CG 4.12Å; L118-L120 HydrophobicContact CD2-CD1 3.8Å; L118-L120 HydrophobicContact CD2-CG 4.21Å; L118-L120 HydrophobicContact CG-CD1 4.06Å; L118-L120 HydrophobicContact CG-CG 3.91Å; L118-L136 HydrophobicContact CD2-CD1 3.85Å; L118-L146 HydrophobicContact CB-CD1 3.94Å; L118-L146 HydrophobicContact CB-CD2 3.72Å; L118-L146 HydrophobicContact CD2-CD1 3.95Å; L118-E148 PolarHBondContact N-O 3.29Å; L118-L149 WeakPolarHBondContact O-CA 3.46Å; L118-T150 PolarHBondContact O-N 2.82Å
119D98.8Very high96.9Very high10 Ų1033.1 Ų33.15%0.05319%0.187CC..EExtended strand (participates in β ladder)trans-110.9114.9175.6173.77000110.4L90 F91 L92 H93 G121 T150L90-D119 PolarHBondContact O-N 3.42Å; F91-D119 HydrophobicContact CB-CB 4.32Å; F91-D119 HydrophobicContact CD1-CB 3.63Å; F91-D119 HydrophobicContact CE1-CB 4.46Å; F91-D119 HydrophobicContact CG-CB 4.44Å; L92-D119 PolarHBondContact N-O 3.2Å; H93-D119 WeakPolarHBondContact CB-OD2 3.47Å; H93-D119 IonicContact CG-OD1 3.84Å; H93-D119 IonicContact ND1-OD1 3.66Å; H93-D119 PolarHBondContact ND1-OD1 3.14Å; H93-D119 IonicContact ND1-OD2 3.4Å; D119-G121 PolarHBondContact OD1-N 3.09Å; D119-T150 WeakPolarHBondContact OD1-CG2 3.43Å
120L98.7Very high97Very high0 Ų032.8 Ų32.80%019%0.185CC..  trans-12429.5178.2-61.9171.1000110.7L92 L97 L102 L118 C123 L125 I133 T150 L151 N154L92-L120 HydrophobicContact CB-CD2 4.27Å; L92-L120 HydrophobicContact CD1-CD2 4Å; L97-L120 HydrophobicContact CD1-CD2 3.58Å; L102-L120 HydrophobicContact CD1-CD1 3.94Å; L102-L120 HydrophobicContact CD1-CD2 4.22Å; L102-L120 HydrophobicContact CD2-CD1 4.22Å; L118-L120 HydrophobicContact CD1-CD2 4.2Å; L118-L120 HydrophobicContact CD1-CG 4.12Å; L118-L120 HydrophobicContact CD2-CD1 3.8Å; L118-L120 HydrophobicContact CD2-CG 4.21Å; L118-L120 HydrophobicContact CG-CD1 4.06Å; L118-L120 HydrophobicContact CG-CG 3.91Å; L120-C123 WeakPolarHBondContact O-CB 3.48Å; L120-C123 PolarHBondContact O-SG 3.35Å; L120-C123 VanDerWaalsContact O-SG 3.42Å; L120-L125 HydrophobicContact CB-CD1 3.96Å; L120-L125 HydrophobicContact CD1-CD1 4.34Å; L120-I133 HydrophobicContact CD1-CD1 3.98Å; L120-I133 HydrophobicContact CD1-CG1 4.16Å; L120-T150 CarbonylContact C-O 3.5Å; L120-T150 PolarHBondContact N-O 3.11Å; L120-L151 HydrophobicContact CB-CD2 4.05Å; L120-L151 HydrophobicContact CD1-CD2 4.43Å; L120-N154 PolarHBondContact O-ND2 2.65Å
121G98.5Very high97.2Very high0 Ų033.4 Ų33.40%018%0.182CC..THydrogen-bonded Turntrans-64.7147.317400000111.9H93 G94 D119 C123 T150 S152H93-G121 CarbonylContact C-O 3.39Å; H93-G121 WeakPolarHBondContact CA-O 3.32Å; H93-G121 WeakPolarHBondContact ND1-CA 3.46Å; G94-G121 PolarHBondContact N-O 3.14Å; D119-G121 PolarHBondContact OD1-N 3.09Å; G121-C123 PolarHBondContact O-N 3.42Å; G121-C123 VanDerWaalsContact O-N 3.15Å; G121-C123 PolarHBondContact O-SG 3.34Å; G121-T150 PolarHBondContact N-O 3.49Å; G121-S152 CarbonylContact C-O 3.45Å; G121-S152 WeakPolarHBondContact CA-O 3.41Å
122D98.2Very high97.5Very high79 Ų7929.5 Ų29.542%0.42216%0.162SC..THydrogen-bonded Turntrans47.146.1-179.1-171.232.3000113.2G94 S152 A153G94-D122 VanDerWaalsContact CA-O 3.24Å; G94-D122 WeakPolarHBondContact CA-O 3.31Å; G94-D122 PolarHBondContact N-O 3.22Å; D122-S152 PolarHBondContact N-O 3.03Å; D122-A153 WeakPolarHBondContact CA-O 3.43Å; D122-A153 HydrophobicContact CB-CB 4.21Å
123C98.5Very high97.6Very high0 Ų029.1 Ų29.10%016%0.16CC..SBendtrans-104.411.1-176.7-75.20000113.6L92 S95 L97 T98 L120 G121 L125 N154L92-C123 PolarHBondContact O-SG 3.21Å; S95-C123 VanDerWaalsContact O-CA 3.23Å; S95-C123 WeakPolarHBondContact O-CA 3.19Å; S95-C123 PolarHBondContact O-SG 3.06Å; S95-C123 VanDerWaalsContact O-SG 3.36Å; L97-C123 HydrophobicContact CB-CB 4.33Å; L97-C123 HydrophobicContact CD1-CB 4.19Å; L97-C123 HydrophobicContact CG-CB 4.26Å; L97-C123 PolarHBondContact N-O 3.49Å; T98-C123 PolarHBondContact N-O 2.98Å; L120-C123 WeakPolarHBondContact O-CB 3.48Å; L120-C123 PolarHBondContact O-SG 3.35Å; L120-C123 VanDerWaalsContact O-SG 3.42Å; G121-C123 PolarHBondContact O-N 3.42Å; G121-C123 VanDerWaalsContact O-N 3.15Å; G121-C123 PolarHBondContact O-SG 3.34Å; C123-L125 HydrophobicContact CB-CD1 4.24Å; C123-L125 HydrophobicContact CB-CD2 3.91Å; C123-L125 HydrophobicContact CB-CG 3.77Å; C123-L125 PolarHBondContact O-N 2.93Å; C123-N154 PolarHBondContact N-OD1 2.98Å
124M98Very high97.7Very high118 Ų11827.4 Ų27.458%0.58115%0.149SC*.  trans55.737.8-175.4-54.6175.163.900112.7P96 T98 N154P96-M124 HydrophobicContact CB-SD 3.6Å; T98-M124 WeakPolarHBondContact CA-O 3.34Å; T98-M124 HydrophobicContact CG2-CB 4.22Å; T98-M124 HydrophobicContact CG2-CE 4.49Å; M124-N154 PolarHBondContact N-OD1 3.16Å
125L98.7Very high97.6Very high1 Ų129 Ų291%0.00517%0.168CC..  trans-77.9151-177.2-56.7-175.8000112L97 L102 L120 C123 A129 I133 L151 N154 G156 I157L97-L125 HydrophobicContact CB-CD2 4.41Å; L102-L125 HydrophobicContact CB-CD2 4.33Å; L102-L125 HydrophobicContact CD2-CD1 4.4Å; L102-L125 HydrophobicContact CD2-CD2 4.24Å; L120-L125 HydrophobicContact CB-CD1 3.96Å; L120-L125 HydrophobicContact CD1-CD1 4.34Å; C123-L125 HydrophobicContact CB-CD1 4.24Å; C123-L125 HydrophobicContact CB-CD2 3.91Å; C123-L125 HydrophobicContact CB-CG 3.77Å; C123-L125 PolarHBondContact O-N 2.93Å; L125-A129 HydrophobicContact CB-CB 3.82Å; L125-A129 HydrophobicContact CD1-CB 4.23Å; L125-A129 HydrophobicContact CD2-CB 3.79Å; L125-A129 HydrophobicContact CG-CB 4.14Å; L125-I133 HydrophobicContact CD1-CD1 4.02Å; L125-L151 HydrophobicContact CD1-CD2 4.09Å; L125-N154 HydrophobicContact CB-CB 4.23Å; L125-N154 WeakPolarHBondContact CB-OD1 3Å; L125-N154 WeakPolarHBondContact CG-OD1 3.06Å; L125-N154 PolarHBondContact N-OD1 2.68Å; L125-G156 CarbonylContact O-C 3.18Å; L125-G156 WeakPolarHBondContact O-CA 3.06Å; L125-I157 HydrophobicContact CB-CD1 4.36Å; L125-I157 HydrophobicContact CB-CG1 4.47Å
126G98.6Very high97.5Very high9 Ų929.1 Ų29.19%0.09317%0.169CC..BIsolated β-bridgetrans-127.4-165171.600000112.3D99 E128 A129 I130D99-G126 WeakPolarHBondContact OD1-CA 3.24Å; D99-G126 PolarHBondContact OD1-N 3.07Å; G126-E128 VanDerWaalsContact C-N 3.28Å; G126-E128 PolarHBondContact O-N 2.85Å; G126-A129 WeakPolarHBondContact O-CB 3.43Å; G126-A129 PolarHBondContact O-N 2.99Å; G126-I130 PolarHBondContact O-N 2.91Å
127D98.6Very high97.3Very high28 Ų2827.3 Ų27.315%0.1516%0.157CC..Hα-helixtrans-59.5-33.5-175.9-95.543.9000113.9I130 N131 T158 G161 R164D127-I130 PolarHBondContact O-N 2.83Å; D127-N131 PolarHBondContact O-N 2.89Å; D127-N131 VanDerWaalsContact O-N 3.16Å; D127-T158 VanDerWaalsContact CG-OG1 3.23Å; D127-T158 WeakPolarHBondContact OD1-CB 3.48Å; D127-T158 PolarHBondContact OD1-N 3.38Å; D127-T158 PolarHBondContact OD1-OG1 2.76Å; D127-T158 PolarHBondContact OD2-OG1 3.16Å; D127-G161 WeakPolarHBondContact OD1-CA 3.45Å; D127-G161 PolarHBondContact OD1-N 3.06Å; D127-G161 PolarHBondContact OD2-N 3.35Å; D127-R164 IonicContact OD2-NH1 3.24Å; D127-R164 PolarHBondContact OD2-NH1 3.31Å
128E98.5Very high96.6Very high117 Ų11728.3 Ų28.355%0.54716%0.164SC..Hα-helixtrans-73.2-35.6-179.3-64.5-58.9157.900111.7D99 G126 I130 N131 L132D99-E128 HydrophobicContact CB-CB 4.05Å; D99-E128 WeakPolarHBondContact OD2-CB 3.23Å; D99-E128 PolarHBondContact OD2-N 3.43Å; G126-E128 VanDerWaalsContact C-N 3.28Å; G126-E128 PolarHBondContact O-N 2.85Å; E128-I130 VanDerWaalsContact C-N 3.29Å; E128-I130 PolarHBondContact O-N 3.47Å; E128-N131 WeakPolarHBondContact O-CB 3.42Å; E128-N131 PolarHBondContact O-N 3.41Å; E128-N131 PolarHBondContact OE2-ND2 2.92Å; E128-L132 WeakPolarHBondContact O-CG 3.22Å; E128-L132 PolarHBondContact O-N 2.84Å
129A98.6Very high95.8Very high0 Ų032.1 Ų32.10%019%0.189CC..Hα-helixtrans-59.6-41.3170.200000111.8D99 L102 L125 G126 N131 L132 I133D99-A129 WeakPolarHBondContact OD1-CB 3.44Å; D99-A129 PolarHBondContact OD1-N 3.49Å; L102-A129 HydrophobicContact CB-CB 4.48Å; L102-A129 HydrophobicContact CD2-CB 3.53Å; L125-A129 HydrophobicContact CB-CB 3.82Å; L125-A129 HydrophobicContact CD1-CB 4.23Å; L125-A129 HydrophobicContact CD2-CB 3.79Å; L125-A129 HydrophobicContact CG-CB 4.14Å; G126-A129 WeakPolarHBondContact O-CB 3.43Å; G126-A129 PolarHBondContact O-N 2.99Å; A129-N131 VanDerWaalsContact C-N 3.34Å; A129-N131 PolarHBondContact O-N 2.9Å; A129-L132 WeakPolarHBondContact O-CB 3.32Å; A129-L132 PolarHBondContact O-N 3Å; A129-L132 VanDerWaalsContact O-N 3.11Å; A129-I133 WeakPolarHBondContact O-CD1 3.45Å; A129-I133 WeakPolarHBondContact O-CG1 3.46Å; A129-I133 PolarHBondContact O-N 3.01Å
130I98.4Very high94.5Very high0 Ų037.6 Ų37.60%022%0.218CC..Hα-helixtrans-62.7-40.3177-66.3-59.2000111.9G126 D127 E128 L132 I133 C134 L151 I157 G161 R164 L165G126-I130 PolarHBondContact O-N 2.91Å; D127-I130 PolarHBondContact O-N 2.83Å; E128-I130 VanDerWaalsContact C-N 3.29Å; E128-I130 PolarHBondContact O-N 3.47Å; I130-L132 PolarHBondContact O-N 3.04Å; I130-I133 HydrophobicContact CD1-CD1 4.04Å; I130-I133 PolarHBondContact O-N 2.84Å; I130-C134 PolarHBondContact O-N 3.35Å; I130-C134 PolarHBondContact O-SG 3.09Å; I130-L151 HydrophobicContact CD1-CD1 3.82Å; I130-I157 HydrophobicContact CD1-CD1 3.76Å; I130-I157 HydrophobicContact CD1-CG1 4.43Å; I130-I157 HydrophobicContact CG1-CD1 3.89Å; I130-I157 HydrophobicContact CG1-CG1 4Å; I130-I157 HydrophobicContact CG1-CG2 3.76Å; I130-G161 WeakPolarHBondContact CG2-O 3.31Å; I130-R164 HydrophobicContact CG2-CB 4.4Å; I130-L165 HydrophobicContact CG2-CB 4.08Å
131N97.3Very high92.9Very high58 Ų5841 Ų4131%0.3125%0.253SS..Hα-helixtrans-56.4-38174.5-67.6-32.3000111.9D127 E128 A129 R164D127-N131 PolarHBondContact O-N 2.89Å; D127-N131 VanDerWaalsContact O-N 3.16Å; E128-N131 WeakPolarHBondContact O-CB 3.42Å; E128-N131 PolarHBondContact O-N 3.41Å; E128-N131 PolarHBondContact OE2-ND2 2.92Å; A129-N131 VanDerWaalsContact C-N 3.34Å; A129-N131 PolarHBondContact O-N 2.9Å; N131-R164 WeakPolarHBondContact OD1-CD 3.38Å; N131-R164 PolarHBondContact OD1-NE 3.08Å
132L97.1Very high91.1Very high48 Ų4843.4 Ų43.425%0.25127%0.273SS..Hα-helixtrans-71.4-45.2177-61.9171000111.7L102 A103 N106 E128 A129 I130 C134 G135L102-L132 HydrophobicContact CG-CD1 4.48Å; A103-L132 HydrophobicContact CB-CD1 3.97Å; N106-L132 HydrophobicContact CB-CB 4.32Å; N106-L132 HydrophobicContact CB-CD1 4.23Å; N106-L132 HydrophobicContact CB-CD2 4.32Å; E128-L132 WeakPolarHBondContact O-CG 3.22Å; E128-L132 PolarHBondContact O-N 2.84Å; A129-L132 WeakPolarHBondContact O-CB 3.32Å; A129-L132 PolarHBondContact O-N 3Å; A129-L132 VanDerWaalsContact O-N 3.11Å; I130-L132 PolarHBondContact O-N 3.04Å; L132-C134 VanDerWaalsContact C-N 3.34Å; L132-C134 PolarHBondContact O-N 2.99Å; L132-G135 WeakPolarHBondContact O-CA 3.4Å; L132-G135 PolarHBondContact O-N 3.41Å
133I97.1Very high89.5Confident0 Ų047.3 Ų47.30%029%0.286CS..Hα-helixtrans-62.3-39.5179.6-69156.8000111.4L102 L120 L125 A129 I130 G135 L136 L149 L151 L165L102-I133 HydrophobicContact CD2-CD1 3.78Å; L102-I133 HydrophobicContact CD2-CG1 3.82Å; L120-I133 HydrophobicContact CD1-CD1 3.98Å; L120-I133 HydrophobicContact CD1-CG1 4.16Å; L125-I133 HydrophobicContact CD1-CD1 4.02Å; A129-I133 WeakPolarHBondContact O-CD1 3.45Å; A129-I133 WeakPolarHBondContact O-CG1 3.46Å; A129-I133 PolarHBondContact O-N 3.01Å; I130-I133 HydrophobicContact CD1-CD1 4.04Å; I130-I133 PolarHBondContact O-N 2.84Å; I133-G135 PolarHBondContact O-N 2.97Å; I133-G135 VanDerWaalsContact O-N 3.16Å; I133-L136 WeakPolarHBondContact O-CA 3.43Å; I133-L136 VanDerWaalsContact O-CB 3.26Å; I133-L136 WeakPolarHBondContact O-CB 3.4Å; I133-L136 PolarHBondContact O-N 2.97Å; I133-L149 HydrophobicContact CG2-CD1 4.22Å; I133-L149 HydrophobicContact CG2-CD2 3.66Å; I133-L151 HydrophobicContact CD1-CD2 3.62Å; I133-L165 HydrophobicContact CG2-CD1 4.4Å
134C94.9Very high88.2Confident27 Ų2750.3 Ų50.318%0.18231%0.307CS..Hα-helixtrans-57.2-31174.4-68.20000112.1I130 L132 L136 L137 A168I130-C134 PolarHBondContact O-N 3.35Å; I130-C134 PolarHBondContact O-SG 3.09Å; L132-C134 VanDerWaalsContact C-N 3.34Å; L132-C134 PolarHBondContact O-N 2.99Å; C134-L136 PolarHBondContact O-N 3.19Å; C134-L137 PolarHBondContact O-N 2.93Å; C134-A168 HydrophobicContact CB-CB 3.81Å
135G92Very high87.5Confident58 Ų5845 Ų4560%0.59828%0.283SS*.THydrogen-bonded Turntrans-69.2-15173.800000114.6L132 I133L132-G135 WeakPolarHBondContact O-CA 3.4Å; L132-G135 PolarHBondContact O-N 3.41Å; I133-G135 PolarHBondContact O-N 2.97Å; I133-G135 VanDerWaalsContact O-N 3.16Å
136L93.3Very high87.3Confident11 Ų1145.1 Ų45.16%0.05828%0.284CS..THydrogen-bonded Turntrans-89.6-4.4174.5-50.7-179.4000112.7L109 A110 L118 I133 C134 P138 L146L109-L136 HydrophobicContact CB-CD1 4.31Å; L109-L136 HydrophobicContact CB-CD2 4.25Å; A110-L136 HydrophobicContact CB-CD2 3.62Å; L118-L136 HydrophobicContact CD2-CD1 3.85Å; I133-L136 WeakPolarHBondContact O-CA 3.43Å; I133-L136 VanDerWaalsContact O-CB 3.26Å; I133-L136 WeakPolarHBondContact O-CB 3.4Å; I133-L136 PolarHBondContact O-N 2.97Å; C134-L136 PolarHBondContact O-N 3.19Å; L136-P138 WeakPolarHBondContact O-CD 3.48Å; L136-L146 HydrophobicContact CB-CD1 3.86Å; L136-L146 HydrophobicContact CB-CG 4.36Å; L136-L146 HydrophobicContact CD1-CD1 4.14Å
137L93Very high87.1Confident5 Ų549.1 Ų49.13%0.02630%0.298CS..SBendtrans-112.564.1179.6-53.2-173.3000109.8C134 L146 L149 L165 A168 V169 V175C134-L137 PolarHBondContact O-N 2.93Å; L137-L146 HydrophobicContact CD2-CB 3.94Å; L137-L146 HydrophobicContact CD2-CD1 4.25Å; L137-L149 HydrophobicContact CD1-CD2 4.23Å; L137-L149 HydrophobicContact CD2-CD2 4.43Å; L137-L165 HydrophobicContact CD1-CD1 4.03Å; L137-A168 HydrophobicContact CD1-CB 4.27Å; L137-V169 HydrophobicContact CD1-CG2 4.09Å; L137-V175 HydrophobicContact CD1-CG2 4.24Å; L137-V175 HydrophobicContact CD2-CG2 3.38Å; L137-V175 HydrophobicContact CG-CG2 4.29Å
138P82.8Confident87.1Confident24 Ų2451.6 Ų51.616%0.15631%0.309CS..  trans-63.6145.1-172.928.2-35.6000111.5L136 A142L136-P138 WeakPolarHBondContact O-CD 3.48Å; P138-A142 WeakPolarHBondContact CB-O 3.42Å; P138-A142 VanDerWaalsContact CG-O 3.28Å; P138-A142 WeakPolarHBondContact CG-O 3.16Å
139P83.1Confident87.1Confident82 Ų8246 Ų4653%0.53228%0.283SS..BIsolated β-bridgetrans-70.7149.5170.230.2-33.9000111.5H171P139-H171 WeakPolarHBondContact CA-O 3.32Å; P139-H171 HydrophobicContact CB-CB 4.42Å
140D70.9Confident87.1Confident124 Ų12446.9 Ų46.966%0.66329%0.288SS*.THydrogen-bonded Turntrans20.9100170.8-70.7-22.8000118.1A142D140-A142 PolarHBondContact O-N 3.15Å
141G64.3Low87.1Confident71 Ų7146.9 Ų46.973%0.73229%0.288SS*.THydrogen-bonded Turntrans68.2-1.3160.700000116.1K143 S173G141-K143 PolarHBondContact O-N 3.37Å; G141-S173 PolarHBondContact N-OG 2.84Å
142A62Low87.2Confident52 Ų5244.3 Ų44.343%0.4328%0.275SS..  trans-8998.217800000110.6P138 D140P138-A142 WeakPolarHBondContact CB-O 3.42Å; P138-A142 VanDerWaalsContact CG-O 3.28Å; P138-A142 WeakPolarHBondContact CG-O 3.16Å; D140-A142 PolarHBondContact O-N 3.15Å
143K63.3Low87.3Confident161 Ų16143.2 Ų43.270%0.727%0.273SS*.SBendtrans77.2167171.5-49.7172.2-179.4174.50115.4G141 Q174G141-K143 PolarHBondContact O-N 3.37Å; K143-Q174 PolarHBondContact O-NE2 2.89Å
144S72.2Confident87.3Confident63 Ų6343.2 Ų43.244%0.44127%0.273SS..  trans-61.7131.8162.353.60000109.1P113P113-S144 WeakPolarHBondContact O-CB 3.48Å; P113-S144 PolarHBondContact O-OG 3.33Å
145G82.1Confident87.5Confident7 Ų746.3 Ų46.37%0.07229%0.292CS..  trans-139.5176.9178.600000111.1Q174G145-Q174 VanDerWaalsContact C-OE1 3.26Å; G145-Q174 PolarHBondContact O-OE1 3Å
146L94.2Very high87.8Confident3 Ų345.8 Ų45.82%0.01629%0.287CS..  trans-73.2135.7-177.8-65.4174.4000111.3L115 L118 L136 L137 L149 Q174 V175L115-L146 HydrophobicContact CD2-CD2 3.96Å; L115-L146 HydrophobicContact CG-CD2 3.88Å; L118-L146 HydrophobicContact CB-CD1 3.94Å; L118-L146 HydrophobicContact CB-CD2 3.72Å; L118-L146 HydrophobicContact CD2-CD1 3.95Å; L136-L146 HydrophobicContact CB-CD1 3.86Å; L136-L146 HydrophobicContact CB-CG 4.36Å; L136-L146 HydrophobicContact CD1-CD1 4.14Å; L137-L146 HydrophobicContact CD2-CB 3.94Å; L137-L146 HydrophobicContact CD2-CD1 4.25Å; L146-L149 HydrophobicContact CD1-CD1 4.28Å; L146-Q174 CarbonylContact O-C 3.09Å; L146-V175 WeakPolarHBondContact O-CG2 3.02Å; L146-V175 PolarHBondContact O-N 3.47Å
147K95.9Very high88Confident92 Ų9245.4 Ų45.440%0.429%0.285SS..SBendtrans-98.3-31.4167-62-174.2178.7-175.60111.7V116 Q174 R176 V177V116-K147 HydrophobicContact CB-CG 4.45Å; V116-K147 PolarHBondContact O-N 3.23Å; K147-Q174 WeakPolarHBondContact CA-O 3.4Å; K147-R176 PolarHBondContact O-N 2.76Å; K147-V177 PolarHBondContact O-N 2.98Å
148E98.2Very high88.2Confident80 Ų8048.1 Ų48.137%0.37430%0.302SS..EExtended strand (participates in β ladder)trans-128.1126.2-177.9-56.7173.3-162.100109.4V116 A117 L118 V177V116-E148 PolarHBondContact O-N 2.74Å; A117-E148 WeakPolarHBondContact CA-O 3.4Å; A117-E148 HydrophobicContact CB-CB 3.85Å; A117-E148 HydrophobicContact CB-CG 4.43Å; L118-E148 PolarHBondContact N-O 3.29Å; E148-V177 WeakPolarHBondContact CA-O 3.46Å; E148-V177 HydrophobicContact CB-CB 4.26Å; E148-V177 HydrophobicContact CG-CB 3.99Å; E148-V177 HydrophobicContact CG-CG2 4.04Å
149L98.6Very high88.9Confident0 Ų050.2 Ų50.20%032%0.315CS..EExtended strand (participates in β ladder)trans-134.1123.8179.7176.761000110L118 I133 L137 L146 L151 L165 V177 L178 N179L118-L149 WeakPolarHBondContact O-CA 3.46Å; I133-L149 HydrophobicContact CG2-CD1 4.22Å; I133-L149 HydrophobicContact CG2-CD2 3.66Å; L137-L149 HydrophobicContact CD1-CD2 4.23Å; L137-L149 HydrophobicContact CD2-CD2 4.43Å; L146-L149 HydrophobicContact CD1-CD1 4.28Å; L149-L151 HydrophobicContact CD1-CD2 4.12Å; L149-L151 HydrophobicContact CD1-CG 4.07Å; L149-L151 HydrophobicContact CD2-CD1 3.97Å; L149-L151 HydrophobicContact CD2-CG 4.33Å; L149-L151 HydrophobicContact CG-CD1 4.22Å; L149-L151 HydrophobicContact CG-CG 4.02Å; L149-L165 HydrophobicContact CD2-CD1 4.29Å; L149-V177 PolarHBondContact N-O 2.99Å; L149-L178 HydrophobicContact CB-CD1 4.08Å; L149-L178 HydrophobicContact CD2-CD1 3.95Å; L149-L178 HydrophobicContact CG-CD1 4.08Å; L149-L178 WeakPolarHBondContact O-CA 3.47Å; L149-N179 PolarHBondContact O-N 3.3Å
150T98.8Very high89.6Confident19 Ų1952.4 Ų52.412%0.11732%0.317CS..EExtended strand (participates in β ladder)trans-114123.8173.9-59.30000109.8L118 D119 L120 G121 S152 N179L118-T150 PolarHBondContact O-N 2.82Å; D119-T150 WeakPolarHBondContact OD1-CG2 3.43Å; L120-T150 CarbonylContact C-O 3.5Å; L120-T150 PolarHBondContact N-O 3.11Å; G121-T150 PolarHBondContact N-O 3.49Å; T150-S152 WeakPolarHBondContact CG2-OG 3.14Å; T150-N179 HydrophobicContact CG2-CB 4.01Å; T150-N179 PolarHBondContact OG1-ND2 3.33Å; T150-N179 VanDerWaalsContact OG1-ND2 3.13Å
151L98.8Very high90.9Very high0 Ų046.5 Ų46.50%029%0.285CS..  trans-128.120179.1-65.1175.3000112.2L120 L125 I130 I133 L149 N154 W162 L165 N179 L180 N183L120-L151 HydrophobicContact CB-CD2 4.05Å; L120-L151 HydrophobicContact CD1-CD2 4.43Å; L125-L151 HydrophobicContact CD1-CD2 4.09Å; I130-L151 HydrophobicContact CD1-CD1 3.82Å; I133-L151 HydrophobicContact CD1-CD2 3.62Å; L149-L151 HydrophobicContact CD1-CD2 4.12Å; L149-L151 HydrophobicContact CD1-CG 4.07Å; L149-L151 HydrophobicContact CD2-CD1 3.97Å; L149-L151 HydrophobicContact CD2-CG 4.33Å; L149-L151 HydrophobicContact CG-CD1 4.22Å; L149-L151 HydrophobicContact CG-CG 4.02Å; L151-N154 PolarHBondContact O-ND2 2.79Å; L151-W162 HydrophobicContact CB-CH2 4.25Å; L151-W162 HydrophobicContact CB-CZ3 4.4Å; L151-W162 HydrophobicContact CD1-CZ3 4.2Å; L151-L165 HydrophobicContact CD1-CD1 4.29Å; L151-L165 HydrophobicContact CD1-CD2 3.62Å; L151-N179 PolarHBondContact N-O 3.39Å; L151-L180 HydrophobicContact CB-CD2 4.1Å; L151-L180 HydrophobicContact CD1-CD2 4.36Å; L151-N183 PolarHBondContact O-ND2 3.42Å
152S98.6Very high92.5Very high3 Ų343.3 Ų43.32%0.02125%0.251CS..THydrogen-bonded Turntrans-49.5147.5-179.3-39.20000112.9G121 D122 T150 N154 D181G121-S152 CarbonylContact C-O 3.45Å; G121-S152 WeakPolarHBondContact CA-O 3.41Å; D122-S152 PolarHBondContact N-O 3.03Å; T150-S152 WeakPolarHBondContact CG2-OG 3.14Å; S152-N154 PolarHBondContact O-N 3.5Å; S152-N154 PolarHBondContact O-ND2 3.37Å; S152-N154 VanDerWaalsContact O-ND2 3.16Å; S152-D181 CarbonylContact C-O 3.5Å; S152-D181 WeakPolarHBondContact CA-O 3.26Å; S152-D181 VanDerWaalsContact CB-CG 3.48Å; S152-D181 WeakPolarHBondContact CB-O 3.49Å; S152-D181 VanDerWaalsContact CB-OD1 3.27Å; S152-D181 WeakPolarHBondContact CB-OD1 3.34Å; S152-D181 WeakPolarHBondContact CB-OD2 3.4Å; S152-D181 PolarHBondContact OG-OD1 3.35Å; S152-D181 PolarHBondContact OG-OD2 2.87Å
153A98.5Very high94.2Very high25 Ų2542 Ų4221%0.20724%0.238CC..THydrogen-bonded Turntrans5243.517100000115.6D122 P155 D181 N183D122-A153 WeakPolarHBondContact CA-O 3.43Å; D122-A153 HydrophobicContact CB-CB 4.21Å; A153-P155 WeakPolarHBondContact O-CD 3.33Å; A153-D181 PolarHBondContact N-O 2.95Å; A153-N183 PolarHBondContact N-ND2 2.8Å
154N98.7Very high95.8Very high0 Ų037.5 Ų37.50%022%0.217CC..  trans-112.171.8171.2-75.2-72.1000111.2L120 C123 M124 L125 L151 S152 G156 I157 N183L120-N154 PolarHBondContact O-ND2 2.65Å; C123-N154 PolarHBondContact N-OD1 2.98Å; M124-N154 PolarHBondContact N-OD1 3.16Å; L125-N154 HydrophobicContact CB-CB 4.23Å; L125-N154 WeakPolarHBondContact CB-OD1 3Å; L125-N154 WeakPolarHBondContact CG-OD1 3.06Å; L125-N154 PolarHBondContact N-OD1 2.68Å; L151-N154 PolarHBondContact O-ND2 2.79Å; S152-N154 PolarHBondContact O-N 3.5Å; S152-N154 PolarHBondContact O-ND2 3.37Å; S152-N154 VanDerWaalsContact O-ND2 3.16Å; N154-G156 PolarHBondContact O-N 2.97Å; N154-I157 HydrophobicContact CB-CD1 3.57Å; N154-I157 HydrophobicContact CB-CG1 4.2Å; N154-I157 PolarHBondContact O-N 3.21Å; N154-I157 VanDerWaalsContact O-N 3.15Å; N154-N183 VanDerWaalsContact CA-OD1 3.29Å; N154-N183 WeakPolarHBondContact CA-OD1 3.49Å; N154-N183 PolarHBondContact N-OD1 2.9Å; N154-N183 PolarHBondContact O-OD1 3.09Å
155P97.7Very high97Very high92 Ų9234.6 Ų34.660%0.59720%0.196SC*.THydrogen-bonded Turntrans-67-8.7-173.429.1-37.6000114.5A153 I157 P184A153-P155 WeakPolarHBondContact O-CD 3.33Å; P155-I157 VanDerWaalsContact C-N 3.26Å; P155-I157 PolarHBondContact O-N 3.4Å; P155-P184 HydrophobicContact CB-CG 4.32Å
156G97.8Very high97.7Very high47 Ų4734.4 Ų34.449%0.48519%0.194SC..BIsolated β-bridgetrans-74.4-13174.900000114.1L125 N154L125-G156 CarbonylContact O-C 3.18Å; L125-G156 WeakPolarHBondContact O-CA 3.06Å; N154-G156 PolarHBondContact O-N 2.97Å
157I98.7Very high97.8Very high4 Ų439.2 Ų39.22%0.02122%0.219CC..  trans-80.4122.8178.1-57.8163000109.1L125 I130 N154 P155 W162L125-I157 HydrophobicContact CB-CD1 4.36Å; L125-I157 HydrophobicContact CB-CG1 4.47Å; I130-I157 HydrophobicContact CD1-CD1 3.76Å; I130-I157 HydrophobicContact CD1-CG1 4.43Å; I130-I157 HydrophobicContact CG1-CD1 3.89Å; I130-I157 HydrophobicContact CG1-CG1 4Å; I130-I157 HydrophobicContact CG1-CG2 3.76Å; N154-I157 HydrophobicContact CB-CD1 3.57Å; N154-I157 HydrophobicContact CB-CG1 4.2Å; N154-I157 PolarHBondContact O-N 3.21Å; N154-I157 VanDerWaalsContact O-N 3.15Å; P155-I157 VanDerWaalsContact C-N 3.26Å; P155-I157 PolarHBondContact O-N 3.4Å; I157-W162 HydrophobicContact CB-CD2 4.33Å; I157-W162 HydrophobicContact CB-CH2 4.34Å; I157-W162 HydrophobicContact CB-CZ2 3.58Å; I157-W162 HydrophobicContact CD1-CH2 3.35Å; I157-W162 HydrophobicContact CD1-CZ2 3.42Å; I157-W162 VanDerWaalsContact CD1-CZ2 3.42Å; I157-W162 HydrophobicContact CD1-CZ3 4.05Å; I157-W162 HydrophobicContact CG1-CH2 4.45Å; I157-W162 HydrophobicContact CG1-CZ2 4.09Å; I157-W162 HydrophobicContact CG2-CD2 3.6Å; I157-W162 HydrophobicContact CG2-CE3 4.19Å; I157-W162 HydrophobicContact CG2-CG 3.91Å; I157-W162 HydrophobicContact CG2-CH2 4.37Å; I157-W162 HydrophobicContact CG2-CZ2 3.78Å; I157-W162 PolarHBondContact O-NE1 3.23Å
158T98Very high97.8Very high62 Ų6235.6 Ų35.638%0.3821%0.206SC..  trans-81.4166.3-179.473.60000110.9D127 K160 G161 W162D127-T158 VanDerWaalsContact CG-OG1 3.23Å; D127-T158 WeakPolarHBondContact OD1-CB 3.48Å; D127-T158 PolarHBondContact OD1-N 3.38Å; D127-T158 PolarHBondContact OD1-OG1 2.76Å; D127-T158 PolarHBondContact OD2-OG1 3.16Å; T158-K160 PolarHBondContact O-N 2.7Å; T158-K160 WeakPolarHBondContact OG1-CB 3.44Å; T158-K160 PolarHBondContact OG1-N 3.34Å; T158-G161 WeakPolarHBondContact O-CA 3.4Å; T158-G161 PolarHBondContact O-N 3.36Å; T158-G161 PolarHBondContact OG1-N 3.26Å; T158-W162 PolarHBondContact O-N 3.18Å; T158-W162 VanDerWaalsContact O-N 3.07Å
159P97.4Very high97.6Very high67 Ų6731.9 Ų31.944%0.43519%0.189SC..Hα-helixtrans-50.3-34.5170.6-30.837.4000113.4W162 S163 V189P159-W162 PolarHBondContact O-N 3.28Å; P159-S163 PolarHBondContact O-N 3.29Å; P159-S163 PolarHBondContact O-OG 3.42Å; P159-V189 HydrophobicContact CB-CG2 3.8Å; P159-V189 HydrophobicContact CG-CG2 4.42Å
160K97.2Very high97.4Very high129 Ų12932.7 Ų32.756%0.56120%0.196SC*.Hα-helixtrans-66.1-39.1176.3-171.8-166.5179.5-174.20112.3T158 R164T158-K160 PolarHBondContact O-N 2.7Å; T158-K160 WeakPolarHBondContact OG1-CB 3.44Å; T158-K160 PolarHBondContact OG1-N 3.34Å; K160-R164 PolarHBondContact O-N 3.49Å; K160-R164 PolarHBondContact O-NH1 3.23Å
161G98.2Very high97.1Very high0 Ų037.6 Ų37.60%022%0.217CC..Hα-helixtrans-59.1-53171.700000110.2D127 I130 T158 S163 R164 L165D127-G161 WeakPolarHBondContact OD1-CA 3.45Å; D127-G161 PolarHBondContact OD1-N 3.06Å; D127-G161 PolarHBondContact OD2-N 3.35Å; I130-G161 WeakPolarHBondContact CG2-O 3.31Å; T158-G161 WeakPolarHBondContact O-CA 3.4Å; T158-G161 PolarHBondContact O-N 3.36Å; T158-G161 PolarHBondContact OG1-N 3.26Å; G161-S163 VanDerWaalsContact C-N 3.34Å; G161-S163 PolarHBondContact O-N 3.24Å; G161-R164 WeakPolarHBondContact O-CB 3.38Å; G161-R164 PolarHBondContact O-N 3.13Å; G161-L165 PolarHBondContact O-N 3.29Å; G161-L165 VanDerWaalsContact O-N 3.09Å
162W98.4Very high96.8Very high3 Ų337.9 Ų37.91%0.01122%0.219CC..Hα-helixtrans-61.1-37.9178.8-61120.2000113.9L151 I157 T158 P159 R164 L165 A166 L180 N183 L185 V189L151-W162 HydrophobicContact CB-CH2 4.25Å; L151-W162 HydrophobicContact CB-CZ3 4.4Å; L151-W162 HydrophobicContact CD1-CZ3 4.2Å; I157-W162 HydrophobicContact CB-CD2 4.33Å; I157-W162 HydrophobicContact CB-CH2 4.34Å; I157-W162 HydrophobicContact CB-CZ2 3.58Å; I157-W162 HydrophobicContact CD1-CH2 3.35Å; I157-W162 HydrophobicContact CD1-CZ2 3.42Å; I157-W162 VanDerWaalsContact CD1-CZ2 3.42Å; I157-W162 HydrophobicContact CD1-CZ3 4.05Å; I157-W162 HydrophobicContact CG1-CH2 4.45Å; I157-W162 HydrophobicContact CG1-CZ2 4.09Å; I157-W162 HydrophobicContact CG2-CD2 3.6Å; I157-W162 HydrophobicContact CG2-CE3 4.19Å; I157-W162 HydrophobicContact CG2-CG 3.91Å; I157-W162 HydrophobicContact CG2-CH2 4.37Å; I157-W162 HydrophobicContact CG2-CZ2 3.78Å; I157-W162 PolarHBondContact O-NE1 3.23Å; T158-W162 PolarHBondContact O-N 3.18Å; T158-W162 VanDerWaalsContact O-N 3.07Å; P159-W162 PolarHBondContact O-N 3.28Å; W162-R164 VanDerWaalsContact C-N 3.27Å; W162-R164 PolarHBondContact O-N 3.37Å; W162-L165 HydrophobicContact CE3-CD2 3.74Å; W162-L165 HydrophobicContact CZ3-CD2 3.68Å; W162-L165 PolarHBondContact O-N 2.65Å; W162-L165 VanDerWaalsContact O-N 3.16Å; W162-A166 WeakPolarHBondContact O-CB 3.17Å; W162-A166 PolarHBondContact O-N 2.72Å; W162-L180 HydrophobicContact CE3-CD2 4.48Å; W162-L180 HydrophobicContact CH2-CD2 4.34Å; W162-L180 HydrophobicContact CZ3-CD2 3.72Å; W162-N183 HydrophobicContact CH2-CB 4.29Å; W162-N183 HydrophobicContact CZ2-CB 3.69Å; W162-N183 VanDerWaalsContact CZ2-CG 3.41Å; W162-N183 WeakPolarHBondContact CZ2-OD1 3.48Å; W162-L185 HydrophobicContact CD2-CD2 3.48Å; W162-L185 VanDerWaalsContact CD2-CD2 3.48Å; W162-L185 HydrophobicContact CE3-CD2 4.16Å; W162-L185 HydrophobicContact CG-CD2 3.64Å; W162-L185 HydrophobicContact CZ2-CD2 3.92Å; W162-V189 HydrophobicContact CB-CB 4.45Å; W162-V189 HydrophobicContact CB-CG1 3.41Å; W162-V189 VanDerWaalsContact CB-CG1 3.41Å; W162-V189 HydrophobicContact CB-CG2 4.13Å; W162-V189 HydrophobicContact CG-CG1 4.05Å
163S96.6Very high96.3Very high24 Ų2439.4 Ų39.417%0.16823%0.23CC..Hα-helixtrans-57.5-40.6173-53.90000112P159 G161 A166 I167 M192P159-S163 PolarHBondContact O-N 3.29Å; P159-S163 PolarHBondContact O-OG 3.42Å; G161-S163 VanDerWaalsContact C-N 3.34Å; G161-S163 PolarHBondContact O-N 3.24Å; S163-A166 PolarHBondContact O-N 3.44Å; S163-I167 VanDerWaalsContact O-CG1 3.31Å; S163-I167 WeakPolarHBondContact O-CG1 3.45Å; S163-I167 PolarHBondContact O-N 3.44Å; S163-I167 VanDerWaalsContact O-N 3.09Å; S163-M192 VanDerWaalsContact CB-SD 3.58Å; S163-M192 PolarHBondContact OG-SD 2.79Å
164R97.2Very high96Very high68 Ų6840.5 Ų40.526%0.25723%0.231SC..Hα-helixtrans-68.2-39.8177.3-69-174.2-165.9101.2-26.5111.8D127 I130 N131 K160 G161 W162 I167 A168D127-R164 IonicContact OD2-NH1 3.24Å; D127-R164 PolarHBondContact OD2-NH1 3.31Å; I130-R164 HydrophobicContact CG2-CB 4.4Å; N131-R164 WeakPolarHBondContact OD1-CD 3.38Å; N131-R164 PolarHBondContact OD1-NE 3.08Å; K160-R164 PolarHBondContact O-N 3.49Å; K160-R164 PolarHBondContact O-NH1 3.23Å; G161-R164 WeakPolarHBondContact O-CB 3.38Å; G161-R164 PolarHBondContact O-N 3.13Å; W162-R164 VanDerWaalsContact C-N 3.27Å; W162-R164 PolarHBondContact O-N 3.37Å; R164-I167 PolarHBondContact O-N 2.92Å; R164-A168 PolarHBondContact O-N 3.22Å
165L97.9Very high95.8Very high1 Ų140.5 Ų40.51%0.00523%0.231CC..Hα-helixtrans-62.5-46175.2-175.668.9000110.7I130 I133 L137 L149 L151 G161 W162 I167 A168 V169 L180I130-L165 HydrophobicContact CG2-CB 4.08Å; I133-L165 HydrophobicContact CG2-CD1 4.4Å; L137-L165 HydrophobicContact CD1-CD1 4.03Å; L149-L165 HydrophobicContact CD2-CD1 4.29Å; L151-L165 HydrophobicContact CD1-CD1 4.29Å; L151-L165 HydrophobicContact CD1-CD2 3.62Å; G161-L165 PolarHBondContact O-N 3.29Å; G161-L165 VanDerWaalsContact O-N 3.09Å; W162-L165 HydrophobicContact CE3-CD2 3.74Å; W162-L165 HydrophobicContact CZ3-CD2 3.68Å; W162-L165 PolarHBondContact O-N 2.65Å; W162-L165 VanDerWaalsContact O-N 3.16Å; L165-I167 VanDerWaalsContact C-N 3.3Å; L165-I167 PolarHBondContact O-N 3.18Å; L165-A168 PolarHBondContact O-N 2.89Å; L165-V169 HydrophobicContact CD1-CG2 4.35Å; L165-V169 HydrophobicContact CG-CG2 4.23Å; L165-V169 WeakPolarHBondContact O-CG2 3.35Å; L165-V169 PolarHBondContact O-N 3.24Å; L165-L180 HydrophobicContact CD2-CD2 3.89Å
166A97.4Very high95.8Very high3 Ų341.4 Ų41.43%0.02522%0.222CC..Hα-helixtrans-56-45.1177.200000111.4W162 S163 A168 V169 A170 M192 L193 A196W162-A166 WeakPolarHBondContact O-CB 3.17Å; W162-A166 PolarHBondContact O-N 2.72Å; S163-A166 PolarHBondContact O-N 3.44Å; A166-A168 PolarHBondContact O-N 3.03Å; A166-V169 PolarHBondContact O-N 3.11Å; A166-A170 WeakPolarHBondContact O-CB 3.47Å; A166-A170 PolarHBondContact O-N 3.33Å; A166-M192 HydrophobicContact CB-CB 4.3Å; A166-L193 HydrophobicContact CB-CD2 3.94Å; A166-A196 HydrophobicContact CB-CB 4.11Å; A166-A196 WeakPolarHBondContact O-CB 3.36Å
167I95.5Very high95.8Very high105 Ų10540.2 Ų40.254%0.53821%0.206SC..Hα-helixtrans-61.9-43.4174.9-66.1163.9000111.3S163 R164 L165 A170 H171S163-I167 VanDerWaalsContact O-CG1 3.31Å; S163-I167 WeakPolarHBondContact O-CG1 3.45Å; S163-I167 PolarHBondContact O-N 3.44Å; S163-I167 VanDerWaalsContact O-N 3.09Å; R164-I167 PolarHBondContact O-N 2.92Å; L165-I167 VanDerWaalsContact C-N 3.3Å; L165-I167 PolarHBondContact O-N 3.18Å; I167-A170 PolarHBondContact O-N 3.17Å; I167-H171 PolarHBondContact O-N 2.88Å; I167-H171 PolarHBondContact O-ND1 2.92Å
168A95.1Very high95.8Very high16 Ų1640.1 Ų40.113%0.13221%0.205CC..Hα-helixtrans-64.9-4117900000112.2C134 L137 R164 L165 A166 H171 S172C134-A168 HydrophobicContact CB-CB 3.81Å; L137-A168 HydrophobicContact CD1-CB 4.27Å; R164-A168 PolarHBondContact O-N 3.22Å; L165-A168 PolarHBondContact O-N 2.89Å; A166-A168 PolarHBondContact O-N 3.03Å; A168-H171 PolarHBondContact O-N 2.84Å; A168-S172 PolarHBondContact O-N 3.27Å
169V95.6Very high95.8Very high1 Ų138.3 Ų38.31%0.00619%0.193CC..Hα-helixtrans-64.7-41.3176.6171.40000111.2L137 L165 A166 H171 S172 L178 L203L137-V169 HydrophobicContact CD1-CG2 4.09Å; L165-V169 HydrophobicContact CD1-CG2 4.35Å; L165-V169 HydrophobicContact CG-CG2 4.23Å; L165-V169 WeakPolarHBondContact O-CG2 3.35Å; L165-V169 PolarHBondContact O-N 3.24Å; A166-V169 PolarHBondContact O-N 3.11Å; V169-H171 PolarHBondContact O-N 3.09Å; V169-S172 PolarHBondContact O-N 2.86Å; V169-S172 VanDerWaalsContact O-N 3.15Å; V169-L178 HydrophobicContact CG1-CD2 4.34Å; V169-L178 HydrophobicContact CG2-CD2 3.81Å; V169-L203 HydrophobicContact CG1-CD2 4.07Å
170A94.3Very high95.9Very high18 Ų1835.1 Ų35.115%0.14917%0.172CC..Hα-helixtrans-57.7-31.217700000113.2A166 I167 A196A166-A170 WeakPolarHBondContact O-CB 3.47Å; A166-A170 PolarHBondContact O-N 3.33Å; I167-A170 PolarHBondContact O-N 3.17Å; A170-A196 HydrophobicContact CB-CB 3.92Å
171H91.6Very high96Very high121 Ų12129.1 Ų29.156%0.5615%0.147SC*.Hα-helixtrans-102.5-6.1-179.3-62.487.2000113.4P139 I167 A168 V169 S173P139-H171 WeakPolarHBondContact CA-O 3.32Å; P139-H171 HydrophobicContact CB-CB 4.42Å; I167-H171 PolarHBondContact O-N 2.88Å; I167-H171 PolarHBondContact O-ND1 2.92Å; A168-H171 PolarHBondContact O-N 2.84Å; V169-H171 PolarHBondContact O-N 3.09Å; H171-S173 PolarHBondContact O-N 3.45Å
172S91.9Very high96Very high6 Ų632.2 Ų32.24%0.04216%0.159CC..BIsolated β-bridgetrans-69.5133.7179.5-175.20000109.7A168 V169 Q174 V175A168-S172 PolarHBondContact O-N 3.27Å; V169-S172 PolarHBondContact O-N 2.86Å; V169-S172 VanDerWaalsContact O-N 3.15Å; S172-Q174 PolarHBondContact OG-N 3.16Å; S172-V175 WeakPolarHBondContact OG-CG2 3.41Å; S172-V175 PolarHBondContact OG-N 2.93Å
173S89.1Confident96Very high36 Ų3632.1 Ų32.125%0.25216%0.159SC..SBendtrans-97.813.4175.179.80000112.8G141 H171G141-S173 PolarHBondContact N-OG 2.84Å; H171-S173 PolarHBondContact O-N 3.45Å
174Q91.7Very high95.9Very high47 Ų4734.8 Ų34.822%0.2218%0.175CC..SBendtrans-139.4-30.1-170.3-64.1-164-700115.5K143 G145 L146 K147 S172 R176K143-Q174 PolarHBondContact O-NE2 2.89Å; G145-Q174 VanDerWaalsContact C-OE1 3.26Å; G145-Q174 PolarHBondContact O-OE1 3Å; L146-Q174 CarbonylContact O-C 3.09Å; K147-Q174 WeakPolarHBondContact CA-O 3.4Å; S172-Q174 PolarHBondContact OG-N 3.16Å; Q174-R176 PolarHBondContact O-N 2.94Å
175V95.3Very high96Very high1 Ų132 Ų321%0.00617%0.165CC..  trans-64.7125.6-178.9178.20000109.9L137 L146 S172 L178 T202 L203L137-V175 HydrophobicContact CD1-CG2 4.24Å; L137-V175 HydrophobicContact CD2-CG2 3.38Å; L137-V175 HydrophobicContact CG-CG2 4.29Å; L146-V175 WeakPolarHBondContact O-CG2 3.02Å; L146-V175 PolarHBondContact O-N 3.47Å; S172-V175 WeakPolarHBondContact OG-CG2 3.41Å; S172-V175 PolarHBondContact OG-N 2.93Å; V175-L178 HydrophobicContact CG1-CB 4.4Å; V175-T202 CarbonylContact O-C 3.58Å; V175-T202 WeakPolarHBondContact O-CB 3.4Å; V175-T202 PolarHBondContact O-OG1 2.94Å; V175-L203 HydrophobicContact CG1-CD1 3.9Å; V175-L203 WeakPolarHBondContact O-CA 3.27Å; V175-L203 PolarHBondContact O-N 3.27Å
176R96.6Very high95.9Very high110 Ų11033 Ų3342%0.41518%0.176SC..  trans-113.1-36.7177.4-65.9-176.3176.2-134.80.2112.4K147 Q174 T202 E204 V205K147-R176 PolarHBondContact O-N 2.76Å; Q174-R176 PolarHBondContact O-N 2.94Å; R176-T202 WeakPolarHBondContact CA-O 3.38Å; R176-T202 WeakPolarHBondContact CG-O 3.45Å; R176-E204 WeakPolarHBondContact CD-OE1 3.49Å; R176-E204 IonicContact CZ-OE1 2.83Å; R176-E204 VanDerWaalsContact CZ-OE1 3.27Å; R176-E204 IonicContact NE-OE1 3.44Å; R176-E204 IonicContact NH1-OE1 3.95Å; R176-E204 PolarHBondContact NH1-OE1 3.07Å; R176-E204 IonicContact NH1-OE2 3.69Å; R176-E204 WeakPolarHBondContact O-CA 3.46Å; R176-E204 PolarHBondContact O-N 2.91Å; R176-V205 PolarHBondContact O-N 3.06Å
177V98.5Very high95.9Very high23 Ų2335.2 Ų35.214%0.13919%0.187CC..EExtended strand (participates in β ladder)trans-122.9125.1-179.4-176.10000109.1K147 E148 L149 V205K147-V177 PolarHBondContact O-N 2.98Å; E148-V177 WeakPolarHBondContact CA-O 3.46Å; E148-V177 HydrophobicContact CB-CB 4.26Å; E148-V177 HydrophobicContact CG-CB 3.99Å; E148-V177 HydrophobicContact CG-CG2 4.04Å; L149-V177 PolarHBondContact N-O 2.99Å; V177-V205 WeakPolarHBondContact CA-O 3.26Å; V177-V205 HydrophobicContact CB-CB 4.4Å; V177-V205 HydrophobicContact CG1-CB 4.13Å; V177-V205 HydrophobicContact CG1-CG1 4.25Å; V177-V205 HydrophobicContact CG2-CB 4.14Å; V177-V205 HydrophobicContact CG2-CG2 4.26Å
178L98.6Very high95.9Very high1 Ų136.5 Ų36.51%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-130.4114.3176.1-176.764000110.2L149 V169 V175 L180 L203 V205 L206 D207L149-L178 HydrophobicContact CB-CD1 4.08Å; L149-L178 HydrophobicContact CD2-CD1 3.95Å; L149-L178 HydrophobicContact CG-CD1 4.08Å; L149-L178 WeakPolarHBondContact O-CA 3.47Å; V169-L178 HydrophobicContact CG1-CD2 4.34Å; V169-L178 HydrophobicContact CG2-CD2 3.81Å; V175-L178 HydrophobicContact CG1-CB 4.4Å; L178-L180 HydrophobicContact CD1-CD2 3.85Å; L178-L180 HydrophobicContact CD1-CG 4.44Å; L178-L180 HydrophobicContact CD2-CD1 4.07Å; L178-L180 HydrophobicContact CD2-CD2 4.32Å; L178-L180 HydrophobicContact CD2-CG 4.23Å; L178-L180 HydrophobicContact CG-CD1 4.34Å; L178-L180 HydrophobicContact CG-CD2 3.9Å; L178-L180 HydrophobicContact CG-CG 3.94Å; L178-L203 HydrophobicContact CB-CD1 3.76Å; L178-V205 PolarHBondContact N-O 3.02Å; L178-L206 HydrophobicContact CB-CD1 4.14Å; L178-L206 HydrophobicContact CD2-CD1 4.02Å; L178-L206 HydrophobicContact CG-CD1 4.17Å; L178-L206 WeakPolarHBondContact O-CA 3.48Å; L178-D207 PolarHBondContact O-N 3.22Å
179N98.7Very high96.1Very high24 Ų2435.8 Ų35.813%0.12819%0.185CC..EExtended strand (participates in β ladder)trans-107.1114.9178.9-57.3-24.2000110.1L149 T150 L151 D207L149-N179 PolarHBondContact O-N 3.3Å; T150-N179 HydrophobicContact CG2-CB 4.01Å; T150-N179 PolarHBondContact OG1-ND2 3.33Å; T150-N179 VanDerWaalsContact OG1-ND2 3.13Å; L151-N179 PolarHBondContact N-O 3.39Å; N179-D207 HydrophobicContact CB-CB 4.23Å
180L98.7Very high96.1Very high0 Ų035.7 Ų35.70%019%0.185CC..  trans-119.913.1-178.8-53.4-176.3000112.3L151 W162 L165 L178 N183 L185 L193 L206 D207 L208 T211L151-L180 HydrophobicContact CB-CD2 4.1Å; L151-L180 HydrophobicContact CD1-CD2 4.36Å; W162-L180 HydrophobicContact CE3-CD2 4.48Å; W162-L180 HydrophobicContact CH2-CD2 4.34Å; W162-L180 HydrophobicContact CZ3-CD2 3.72Å; L165-L180 HydrophobicContact CD2-CD2 3.89Å; L178-L180 HydrophobicContact CD1-CD2 3.85Å; L178-L180 HydrophobicContact CD1-CG 4.44Å; L178-L180 HydrophobicContact CD2-CD1 4.07Å; L178-L180 HydrophobicContact CD2-CD2 4.32Å; L178-L180 HydrophobicContact CD2-CG 4.23Å; L178-L180 HydrophobicContact CG-CD1 4.34Å; L178-L180 HydrophobicContact CG-CD2 3.9Å; L178-L180 HydrophobicContact CG-CG 3.94Å; L180-N183 WeakPolarHBondContact O-CB 3.39Å; L180-N183 PolarHBondContact O-ND2 3.35Å; L180-L185 HydrophobicContact CB-CD1 4.18Å; L180-L185 HydrophobicContact CD1-CD1 4.27Å; L180-L193 HydrophobicContact CD1-CD1 3.72Å; L180-L193 HydrophobicContact CD1-CD2 4.05Å; L180-L206 HydrophobicContact CD1-CD1 4.39Å; L180-D207 PolarHBondContact N-O 2.86Å; L180-L208 HydrophobicContact CB-CD2 4.18Å; L180-L208 HydrophobicContact CD1-CD2 4.15Å; L180-T211 VanDerWaalsContact O-CG2 3.31Å; L180-T211 WeakPolarHBondContact O-CG2 3.39Å
181D98.6Very high96.3Very high4 Ų435.8 Ų35.82%0.02119%0.187CC..THydrogen-bonded Turntrans-52.4148.7-177.153.7-64000113.3S152 A153 N183 E209S152-D181 CarbonylContact C-O 3.5Å; S152-D181 WeakPolarHBondContact CA-O 3.26Å; S152-D181 VanDerWaalsContact CB-CG 3.48Å; S152-D181 WeakPolarHBondContact CB-O 3.49Å; S152-D181 VanDerWaalsContact CB-OD1 3.27Å; S152-D181 WeakPolarHBondContact CB-OD1 3.34Å; S152-D181 WeakPolarHBondContact CB-OD2 3.4Å; S152-D181 PolarHBondContact OG-OD1 3.35Å; S152-D181 PolarHBondContact OG-OD2 2.87Å; A153-D181 PolarHBondContact N-O 2.95Å; D181-N183 PolarHBondContact O-N 2.79Å; D181-N183 VanDerWaalsContact O-N 3.15Å; D181-N183 PolarHBondContact O-ND2 2.78Å; D181-E209 CarbonylContact C-O 3.5Å; D181-E209 VanDerWaalsContact CA-O 3.23Å; D181-E209 WeakPolarHBondContact CA-O 3.42Å; D181-E209 HydrophobicContact CB-CB 3.97Å
182Y98.3Very high96.5Very high65 Ų6533 Ų3326%0.25518%0.175SC..THydrogen-bonded Turntrans55.530.3179.5-52.9-73.4000114.7E209 E239Y182-E209 PolarHBondContact N-O 2.74Å; Y182-E209 PolarHBondContact OH-OE1 3.02Å; Y182-E239 WeakPolarHBondContact CE1-OE2 3.49Å
183N98.5Very high96.8Very high1 Ų133 Ų331%0.00517%0.174CC..  trans-106.3139.3168.8-73.4-69.5000111.1L151 A153 N154 W162 L180 D181 L185 T211L151-N183 PolarHBondContact O-ND2 3.42Å; A153-N183 PolarHBondContact N-ND2 2.8Å; N154-N183 VanDerWaalsContact CA-OD1 3.29Å; N154-N183 WeakPolarHBondContact CA-OD1 3.49Å; N154-N183 PolarHBondContact N-OD1 2.9Å; N154-N183 PolarHBondContact O-OD1 3.09Å; W162-N183 HydrophobicContact CH2-CB 4.29Å; W162-N183 HydrophobicContact CZ2-CB 3.69Å; W162-N183 VanDerWaalsContact CZ2-CG 3.41Å; W162-N183 WeakPolarHBondContact CZ2-OD1 3.48Å; L180-N183 WeakPolarHBondContact O-CB 3.39Å; L180-N183 PolarHBondContact O-ND2 3.35Å; D181-N183 PolarHBondContact O-N 2.79Å; D181-N183 VanDerWaalsContact O-N 3.15Å; D181-N183 PolarHBondContact O-ND2 2.78Å; N183-L185 HydrophobicContact CB-CD2 3.8Å; N183-L185 HydrophobicContact CB-CG 4.12Å; N183-L185 PolarHBondContact O-N 2.71Å; N183-T211 CarbonylContact O-C 3.5Å; N183-T211 WeakPolarHBondContact O-CA 3.45Å; N183-T211 VanDerWaalsContact O-CB 3.32Å; N183-T211 WeakPolarHBondContact O-CB 3.29Å
184P95.6Very high97.2Very high80 Ų8031.4 Ų31.452%0.51916%0.164SC..  trans-75.471.8178.632.9-35.9000111.5P155P155-P184 HydrophobicContact CB-CG 4.32Å
185L97.7Very high97.4Very high8 Ų833.7 Ų33.74%0.04218%0.181CC..  trans-75.4-50.8-177.6-56.2-175.1000110.9W162 L180 N183 V189 L193 L208 T211W162-L185 HydrophobicContact CD2-CD2 3.48Å; W162-L185 VanDerWaalsContact CD2-CD2 3.48Å; W162-L185 HydrophobicContact CE3-CD2 4.16Å; W162-L185 HydrophobicContact CG-CD2 3.64Å; W162-L185 HydrophobicContact CZ2-CD2 3.92Å; L180-L185 HydrophobicContact CB-CD1 4.18Å; L180-L185 HydrophobicContact CD1-CD1 4.27Å; N183-L185 HydrophobicContact CB-CD2 3.8Å; N183-L185 HydrophobicContact CB-CG 4.12Å; N183-L185 PolarHBondContact O-N 2.71Å; L185-V189 HydrophobicContact CB-CB 4.03Å; L185-V189 HydrophobicContact CB-CG1 4.01Å; L185-V189 HydrophobicContact CD2-CG1 4.11Å; L185-V189 HydrophobicContact CG-CG1 4.45Å; L185-V189 WeakPolarHBondContact O-CB 3.45Å; L185-V189 VanDerWaalsContact O-CG2 3.26Å; L185-V189 WeakPolarHBondContact O-CG2 3.35Å; L185-L193 HydrophobicContact CD1-CD1 3.92Å; L185-L208 HydrophobicContact CD1-CD2 3.79Å; L185-T211 HydrophobicContact CD1-CG2 3.68Å; L185-T211 HydrophobicContact CG-CG2 3.92Å; L185-T211 PolarHBondContact N-O 2.8Å; L185-T211 VanDerWaalsContact N-O 3.11Å
186G96.4Very high97.4Very high23 Ų2333.8 Ų33.824%0.23718%0.182CC..Hα-helixtrans65.1171.3-172.800000114.3H188 V189 A190 T211G186-H188 PolarHBondContact O-N 3.21Å; G186-H188 VanDerWaalsContact O-N 3.11Å; G186-V189 PolarHBondContact O-N 2.82Å; G186-A190 PolarHBondContact O-N 2.78Å; G186-A190 VanDerWaalsContact O-N 3.12Å; G186-T211 PolarHBondContact N-O 3.05Å
187D97.7Very high97.4Very high49 Ų4928.7 Ų28.726%0.26216%0.163SC..Hα-helixtrans-59.3-31.5-170.3-62.8-12.4000114.2A190 G191 T214 S217D187-A190 PolarHBondContact O-N 3.31Å; D187-G191 PolarHBondContact O-N 2.84Å; D187-T214 PolarHBondContact OD1-N 3.27Å; D187-T214 PolarHBondContact OD1-OG1 3.22Å; D187-T214 PolarHBondContact OD2-OG1 3.29Å; D187-S217 PolarHBondContact OD1-OG 2.96Å
188H96.2Very high97.3Very high132 Ų13228.8 Ų28.861%0.61117%0.166SC*.Hα-helixtrans-65.5-46.8-179.4-177.462.1000112.2G186 A190 G191 M192G186-H188 PolarHBondContact O-N 3.21Å; G186-H188 VanDerWaalsContact O-N 3.11Å; H188-A190 VanDerWaalsContact C-N 3.35Å; H188-G191 PolarHBondContact O-N 3.16Å; H188-M192 WeakPolarHBondContact NE2-CE 3.37Å; H188-M192 PolarHBondContact O-N 2.77Å
189V97.7Very high97.1Very high1 Ų132.1 Ų32.11%0.00619%0.189CC..Hα-helixtrans-69.8-38177.7173.50000110.1P159 W162 L185 G186 G191 M192 L193P159-V189 HydrophobicContact CB-CG2 3.8Å; P159-V189 HydrophobicContact CG-CG2 4.42Å; W162-V189 HydrophobicContact CB-CB 4.45Å; W162-V189 HydrophobicContact CB-CG1 3.41Å; W162-V189 VanDerWaalsContact CB-CG1 3.41Å; W162-V189 HydrophobicContact CB-CG2 4.13Å; W162-V189 HydrophobicContact CG-CG1 4.05Å; L185-V189 HydrophobicContact CB-CB 4.03Å; L185-V189 HydrophobicContact CB-CG1 4.01Å; L185-V189 HydrophobicContact CD2-CG1 4.11Å; L185-V189 HydrophobicContact CG-CG1 4.45Å; L185-V189 WeakPolarHBondContact O-CB 3.45Å; L185-V189 VanDerWaalsContact O-CG2 3.26Å; L185-V189 WeakPolarHBondContact O-CG2 3.35Å; G186-V189 PolarHBondContact O-N 2.82Å; V189-G191 VanDerWaalsContact C-N 3.32Å; V189-G191 PolarHBondContact O-N 3.35Å; V189-M192 WeakPolarHBondContact O-CA 3.37Å; V189-M192 WeakPolarHBondContact O-CB 3.36Å; V189-M192 PolarHBondContact O-N 3.49Å; V189-L193 HydrophobicContact CG1-CD1 4.15Å; V189-L193 HydrophobicContact CG1-CG 4.42Å; V189-L193 PolarHBondContact O-N 3.41Å
190A97.2Very high96.8Very high0 Ų031.1 Ų31.10%018%0.184CC..Hα-helixtrans-59.3-41.2176.200000112.7G186 D187 H188 M192 L193 A194 L213G186-A190 PolarHBondContact O-N 2.78Å; G186-A190 VanDerWaalsContact O-N 3.12Å; D187-A190 PolarHBondContact O-N 3.31Å; H188-A190 VanDerWaalsContact C-N 3.35Å; A190-M192 VanDerWaalsContact C-N 3.28Å; A190-M192 PolarHBondContact O-N 3.23Å; A190-L193 PolarHBondContact O-N 2.96Å; A190-A194 PolarHBondContact O-N 3.39Å; A190-L213 HydrophobicContact CB-CD2 3.33Å
191G97.1Very high96.5Very high20 Ų2041.3 Ų41.321%0.20622%0.223CC..Hα-helixtrans-60.6-36.517300000113D187 H188 V189 A194 V195D187-G191 PolarHBondContact O-N 2.84Å; H188-G191 PolarHBondContact O-N 3.16Å; V189-G191 VanDerWaalsContact C-N 3.32Å; V189-G191 PolarHBondContact O-N 3.35Å; G191-A194 PolarHBondContact O-N 3.15Å; G191-V195 WeakPolarHBondContact O-CG2 3.39Å; G191-V195 PolarHBondContact O-N 3.2Å
192M96.8Very high96.2Very high63 Ų6342.6 Ų42.631%0.3123%0.23SC..Hα-helixtrans-69.8-39173.9-63-178.1179.200112.4S163 A166 H188 V189 A190 A194 V195 A196S163-M192 VanDerWaalsContact CB-SD 3.58Å; S163-M192 PolarHBondContact OG-SD 2.79Å; A166-M192 HydrophobicContact CB-CB 4.3Å; H188-M192 WeakPolarHBondContact NE2-CE 3.37Å; H188-M192 PolarHBondContact O-N 2.77Å; V189-M192 WeakPolarHBondContact O-CA 3.37Å; V189-M192 WeakPolarHBondContact O-CB 3.36Å; V189-M192 PolarHBondContact O-N 3.49Å; A190-M192 VanDerWaalsContact C-N 3.28Å; A190-M192 PolarHBondContact O-N 3.23Å; M192-A194 VanDerWaalsContact C-N 3.32Å; M192-V195 PolarHBondContact O-N 3.41Å; M192-A196 PolarHBondContact O-N 3.4Å
193L97.5Very high96.1Very high4 Ų439.6 Ų39.62%0.02122%0.219CC..Hα-helixtrans-64.3-38.6174.5-71.9169.7000111.1A166 L180 L185 V189 A190 V195 A196 V197 L208A166-L193 HydrophobicContact CB-CD2 3.94Å; L180-L193 HydrophobicContact CD1-CD1 3.72Å; L180-L193 HydrophobicContact CD1-CD2 4.05Å; L185-L193 HydrophobicContact CD1-CD1 3.92Å; V189-L193 HydrophobicContact CG1-CD1 4.15Å; V189-L193 HydrophobicContact CG1-CG 4.42Å; V189-L193 PolarHBondContact O-N 3.41Å; A190-L193 PolarHBondContact O-N 2.96Å; L193-V195 VanDerWaalsContact C-N 3.34Å; L193-V195 PolarHBondContact O-N 2.95Å; L193-A196 CarbonylContact O-C 3.57Å; L193-A196 WeakPolarHBondContact O-CB 3.32Å; L193-A196 PolarHBondContact O-N 2.99Å; L193-A196 VanDerWaalsContact O-N 3.09Å; L193-V197 WeakPolarHBondContact O-CG2 3.35Å; L193-V197 PolarHBondContact O-N 3.24Å; L193-L208 HydrophobicContact CD1-CD2 3.89Å
194A97.2Very high96.1Very high3 Ų341 Ų413%0.02523%0.226CC..Hα-helixtrans-57.7-46173.900000111.4A190 G191 M192 A196 V197 A198 T220 L221 M224A190-A194 PolarHBondContact O-N 3.39Å; G191-A194 PolarHBondContact O-N 3.15Å; M192-A194 VanDerWaalsContact C-N 3.32Å; A194-A196 VanDerWaalsContact C-N 3.31Å; A194-A196 PolarHBondContact O-N 3Å; A194-V197 PolarHBondContact O-N 3.1Å; A194-A198 WeakPolarHBondContact O-CB 3.41Å; A194-A198 PolarHBondContact O-N 2.83Å; A194-T220 HydrophobicContact CB-CG2 3.96Å; A194-L221 HydrophobicContact CB-CD2 3.83Å; A194-L221 HydrophobicContact CB-CG 4.47Å; A194-M224 HydrophobicContact CB-CB 4.33Å; A194-M224 HydrophobicContact CB-CG 4.48Å; A194-M224 WeakPolarHBondContact O-CG 3.13Å
195V96.3Very high96.2Very high96 Ų9638.6 Ų38.658%0.58221%0.209SC*.Hα-helixtrans-61.9-39.5174.7176.50000111.8G191 M192 L193 S199G191-V195 WeakPolarHBondContact O-CG2 3.39Å; G191-V195 PolarHBondContact O-N 3.2Å; M192-V195 PolarHBondContact O-N 3.41Å; L193-V195 VanDerWaalsContact C-N 3.34Å; L193-V195 PolarHBondContact O-N 2.95Å; V195-S199 WeakPolarHBondContact O-CB 3.07Å; V195-S199 PolarHBondContact O-N 3.11Å; V195-S199 VanDerWaalsContact O-N 3.15Å; V195-S199 PolarHBondContact O-OG 2.94Å
196A96.1Very high96.2Very high3 Ų338.2 Ų38.23%0.02521%0.207CC..Hα-helixtrans-66-42177.500000112.4A166 A170 M192 L193 A194 S199 S200A166-A196 HydrophobicContact CB-CB 4.11Å; A166-A196 WeakPolarHBondContact O-CB 3.36Å; A170-A196 HydrophobicContact CB-CB 3.92Å; M192-A196 PolarHBondContact O-N 3.4Å; L193-A196 CarbonylContact O-C 3.57Å; L193-A196 WeakPolarHBondContact O-CB 3.32Å; L193-A196 PolarHBondContact O-N 2.99Å; L193-A196 VanDerWaalsContact O-N 3.09Å; A194-A196 VanDerWaalsContact C-N 3.31Å; A194-A196 PolarHBondContact O-N 3Å; A196-S199 PolarHBondContact O-N 3.48Å; A196-S200 WeakPolarHBondContact O-CB 3.35Å; A196-S200 PolarHBondContact O-N 3.03Å
197V96.3Very high96.3Very high2 Ų238 Ų381%0.01220%0.2CC..Hα-helixtrans-63.3-45.3176174.80000110.5L193 A194 S199 S200 L203 L206 M224 L232L193-V197 WeakPolarHBondContact O-CG2 3.35Å; L193-V197 PolarHBondContact O-N 3.24Å; A194-V197 PolarHBondContact O-N 3.1Å; V197-S199 PolarHBondContact O-N 2.97Å; V197-S200 PolarHBondContact O-N 3.43Å; V197-L203 HydrophobicContact CG2-CD2 3.87Å; V197-L206 HydrophobicContact CG2-CD2 3.69Å; V197-M224 HydrophobicContact CB-CE 3.9Å; V197-M224 HydrophobicContact CB-SD 4.24Å; V197-M224 HydrophobicContact CG1-CE 3.42Å; V197-M224 VanDerWaalsContact CG1-CE 3.42Å; V197-M224 HydrophobicContact CG1-SD 3.75Å; V197-L232 HydrophobicContact CG1-CB 4.26Å; V197-L232 HydrophobicContact CG1-CD2 4.08Å
198A95.4Very high96.4Very high26 Ų2635.6 Ų35.622%0.21519%0.188CC..Hα-helixtrans-60.6-28176.400000113.2A194 M224 Y228A194-A198 WeakPolarHBondContact O-CB 3.41Å; A194-A198 PolarHBondContact O-N 2.83Å; A198-M224 HydrophobicContact CB-CG 3.73Å; A198-M224 HydrophobicContact CB-SD 4.31Å; A198-Y228 HydrophobicContact CB-CD2 4.46Å; A198-Y228 HydrophobicContact CB-CG 4.13Å
199S94.5Very high96.5Very high70 Ų7030.9 Ų30.949%0.4917%0.166SC..Hα-helixtrans-89.8-25.8179.4-55.80000112.7V195 A196 V197V195-S199 WeakPolarHBondContact O-CB 3.07Å; V195-S199 PolarHBondContact O-N 3.11Å; V195-S199 VanDerWaalsContact O-N 3.15Å; V195-S199 PolarHBondContact O-OG 2.94Å; A196-S199 PolarHBondContact O-N 3.48Å; V197-S199 PolarHBondContact O-N 2.97Å
200S93.8Very high96.5Very high3 Ų331.9 Ų31.92%0.02118%0.177CC..  trans-74.9137.7-178.5-177.50000111A196 V197 T202 L203A196-S200 WeakPolarHBondContact O-CB 3.35Å; A196-S200 PolarHBondContact O-N 3.03Å; V197-S200 PolarHBondContact O-N 3.43Å; S200-T202 PolarHBondContact OG-N 3.23Å; S200-L203 WeakPolarHBondContact OG-CB 3.35Å; S200-L203 PolarHBondContact OG-N 2.97Å
201R91.1Very high96.5Very high215 Ų21532 Ų3281%0.81118%0.177SC*.SBendtrans-106.56.1174.8-66.3-165.8-80.4167.2-5.7113.6
202T93.5Very high96.6Very high30 Ų3033.3 Ų33.318%0.18419%0.191CC..SBendtrans-130.9-17.2-176620000114.6V175 R176 S200 E204V175-T202 CarbonylContact O-C 3.58Å; V175-T202 WeakPolarHBondContact O-CB 3.4Å; V175-T202 PolarHBondContact O-OG1 2.94Å; R176-T202 WeakPolarHBondContact CA-O 3.38Å; R176-T202 WeakPolarHBondContact CG-O 3.45Å; S200-T202 PolarHBondContact OG-N 3.23Å; T202-E204 PolarHBondContact O-N 3.42Å
203L96.5Very high96.6Very high3 Ų330.3 Ų30.32%0.01618%0.176CC..  trans-72.5111.8-177.3-172.968.2000110.1V169 V175 L178 V197 S200 L206 A231 L232V169-L203 HydrophobicContact CG1-CD2 4.07Å; V175-L203 HydrophobicContact CG1-CD1 3.9Å; V175-L203 WeakPolarHBondContact O-CA 3.27Å; V175-L203 PolarHBondContact O-N 3.27Å; L178-L203 HydrophobicContact CB-CD1 3.76Å; V197-L203 HydrophobicContact CG2-CD2 3.87Å; S200-L203 WeakPolarHBondContact OG-CB 3.35Å; S200-L203 PolarHBondContact OG-N 2.97Å; L203-L206 HydrophobicContact CD2-CB 4.45Å; L203-A231 CarbonylContact O-C 3.56Å; L203-L232 HydrophobicContact CG-CD1 4.44Å; L203-L232 WeakPolarHBondContact O-CA 3.47Å; L203-L232 PolarHBondContact O-N 3.42Å; L203-L232 VanDerWaalsContact O-N 3.12Å
204E97.1Very high96.7Very high31 Ų3132.6 Ų32.615%0.14519%0.19CC..  trans-100.4-33.8-175.5-69.5163.3-163.700111.7R176 T202 A231 R233 S234R176-E204 WeakPolarHBondContact CD-OE1 3.49Å; R176-E204 IonicContact CZ-OE1 2.83Å; R176-E204 VanDerWaalsContact CZ-OE1 3.27Å; R176-E204 IonicContact NE-OE1 3.44Å; R176-E204 IonicContact NH1-OE1 3.95Å; R176-E204 PolarHBondContact NH1-OE1 3.07Å; R176-E204 IonicContact NH1-OE2 3.69Å; R176-E204 WeakPolarHBondContact O-CA 3.46Å; R176-E204 PolarHBondContact O-N 2.91Å; T202-E204 PolarHBondContact O-N 3.42Å; E204-A231 WeakPolarHBondContact CA-O 3.33Å; E204-R233 PolarHBondContact O-N 3.43Å; E204-S234 PolarHBondContact O-N 3.08Å; E204-S234 VanDerWaalsContact O-N 3.1Å
205V98.1Very high96.7Very high28 Ų2836 Ų3617%0.1721%0.208CC..EExtended strand (participates in β ladder)trans-132.2126.1-176.6-176.50000109.7R176 V177 L178 S234 M299R176-V205 PolarHBondContact O-N 3.06Å; V177-V205 WeakPolarHBondContact CA-O 3.26Å; V177-V205 HydrophobicContact CB-CB 4.4Å; V177-V205 HydrophobicContact CG1-CB 4.13Å; V177-V205 HydrophobicContact CG1-CG1 4.25Å; V177-V205 HydrophobicContact CG2-CB 4.14Å; V177-V205 HydrophobicContact CG2-CG2 4.26Å; L178-V205 PolarHBondContact N-O 3.02Å; V205-S234 WeakPolarHBondContact CA-O 3.43Å; V205-M299 HydrophobicContact CG2-CE 4.38Å
206L98.3Very high96.8Very high1 Ų137.4 Ų37.41%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-127.3121.2173.2177.559.3000109.6L178 L180 V197 L203 L208 L232 S234 L235 V236L178-L206 HydrophobicContact CB-CD1 4.14Å; L178-L206 HydrophobicContact CD2-CD1 4.02Å; L178-L206 HydrophobicContact CG-CD1 4.17Å; L178-L206 WeakPolarHBondContact O-CA 3.48Å; L180-L206 HydrophobicContact CD1-CD1 4.39Å; V197-L206 HydrophobicContact CG2-CD2 3.69Å; L203-L206 HydrophobicContact CD2-CB 4.45Å; L206-L208 HydrophobicContact CD1-CD2 3.98Å; L206-L208 HydrophobicContact CD1-CG 4.33Å; L206-L208 HydrophobicContact CD2-CD1 4.04Å; L206-L208 HydrophobicContact CD2-CD2 4.4Å; L206-L208 HydrophobicContact CD2-CG 4.21Å; L206-L208 HydrophobicContact CG-CD1 4.31Å; L206-L208 HydrophobicContact CG-CD2 4.14Å; L206-L208 HydrophobicContact CG-CG 3.94Å; L206-L232 HydrophobicContact CB-CD1 3.83Å; L206-S234 PolarHBondContact N-O 3.2Å; L206-L235 HydrophobicContact CB-CD1 3.86Å; L206-L235 HydrophobicContact CD2-CD1 3.81Å; L206-L235 HydrophobicContact CG-CD1 3.83Å; L206-L235 WeakPolarHBondContact O-CA 3.28Å; L206-V236 PolarHBondContact O-N 2.94Å
207D98.6Very high96.8Very high17 Ų1737.3 Ų37.39%0.09121%0.208CC..EExtended strand (participates in β ladder)trans-103.9118.8174.9-163.8-23.1000110.9L178 N179 L180 E209 V236L178-D207 PolarHBondContact O-N 3.22Å; N179-D207 HydrophobicContact CB-CB 4.23Å; L180-D207 PolarHBondContact N-O 2.86Å; D207-E209 VanDerWaalsContact OD1-CB 3.26Å; D207-E209 WeakPolarHBondContact OD1-CB 3.4Å; D207-E209 PolarHBondContact OD1-N 3.48Å; D207-V236 HydrophobicContact CB-CB 4.31Å; D207-V236 HydrophobicContact CB-CG2 4.48Å; D207-V236 WeakPolarHBondContact OD1-CB 3.32Å
208L98.4Very high96.8Very high0 Ų037.2 Ų37.20%021%0.207CC..  trans-123.524.4176.9-57177.8000111.6L180 L185 L193 L206 G210 T211 L213 L221 L235 V236 L237 N240L180-L208 HydrophobicContact CB-CD2 4.18Å; L180-L208 HydrophobicContact CD1-CD2 4.15Å; L185-L208 HydrophobicContact CD1-CD2 3.79Å; L193-L208 HydrophobicContact CD1-CD2 3.89Å; L206-L208 HydrophobicContact CD1-CD2 3.98Å; L206-L208 HydrophobicContact CD1-CG 4.33Å; L206-L208 HydrophobicContact CD2-CD1 4.04Å; L206-L208 HydrophobicContact CD2-CD2 4.4Å; L206-L208 HydrophobicContact CD2-CG 4.21Å; L206-L208 HydrophobicContact CG-CD1 4.31Å; L206-L208 HydrophobicContact CG-CD2 4.14Å; L206-L208 HydrophobicContact CG-CG 3.94Å; L208-G210 PolarHBondContact O-N 3.4Å; L208-T211 HydrophobicContact CB-CG2 4.31Å; L208-T211 WeakPolarHBondContact O-CB 3.34Å; L208-T211 WeakPolarHBondContact O-CG2 3.45Å; L208-T211 PolarHBondContact O-N 2.85Å; L208-T211 PolarHBondContact O-OG1 3.22Å; L208-L213 HydrophobicContact CB-CD1 3.89Å; L208-L213 HydrophobicContact CD1-CD1 3.98Å; L208-L221 HydrophobicContact CD1-CD1 4.21Å; L208-L235 HydrophobicContact CD1-CD1 4.1Å; L208-L235 HydrophobicContact CG-CD1 4.43Å; L208-V236 CarbonylContact C-O 3.53Å; L208-V236 WeakPolarHBondContact CA-O 3.42Å; L208-V236 PolarHBondContact N-O 3.24Å; L208-L237 HydrophobicContact CB-CD2 4.25Å; L208-L237 HydrophobicContact CD1-CD2 4.3Å; L208-N240 PolarHBondContact O-ND2 3.25Å
209E98.2Very high96.9Very high33 Ų3339.7 Ų39.715%0.15421%0.214CC..THydrogen-bonded Turntrans-55.2132.9177-177.6174.1161.800111.5D181 Y182 D207 T211 V236 A238 E239D181-E209 CarbonylContact C-O 3.5Å; D181-E209 VanDerWaalsContact CA-O 3.23Å; D181-E209 WeakPolarHBondContact CA-O 3.42Å; D181-E209 HydrophobicContact CB-CB 3.97Å; Y182-E209 PolarHBondContact N-O 2.74Å; Y182-E209 PolarHBondContact OH-OE1 3.02Å; D207-E209 VanDerWaalsContact OD1-CB 3.26Å; D207-E209 WeakPolarHBondContact OD1-CB 3.4Å; D207-E209 PolarHBondContact OD1-N 3.48Å; E209-T211 VanDerWaalsContact C-N 3.25Å; E209-T211 PolarHBondContact O-N 3.15Å; E209-T211 VanDerWaalsContact O-N 3.17Å; E209-V236 HydrophobicContact CB-CG1 4.13Å; E209-V236 PolarHBondContact N-O 3.09Å; E209-A238 CarbonylContact C-O 3.59Å; E209-A238 VanDerWaalsContact CA-O 3.28Å; E209-A238 WeakPolarHBondContact CA-O 3.34Å; E209-A238 HydrophobicContact CG-CB 3.97Å; E209-A238 WeakPolarHBondContact CG-O 3.48Å; E209-E239 HydrophobicContact CG-CB 4.03Å; E209-E239 HydrophobicContact CG-CG 4.06Å
210G98.1Very high97.1Very high22 Ų2238.7 Ų38.723%0.22721%0.205CC..THydrogen-bonded Turntrans62.427.6173.600000114.8L208 A238 E239L208-G210 PolarHBondContact O-N 3.4Å; G210-A238 PolarHBondContact N-O 3.26Å; G210-E239 WeakPolarHBondContact CA-O 3.29Å
211T98.4Very high97.2Very high1 Ų138.6 Ų38.61%0.00620%0.204CC..SBendtrans-94.78-174.258.30000115.6L180 N183 L185 G186 L208 E209 L213 N240L180-T211 VanDerWaalsContact O-CG2 3.31Å; L180-T211 WeakPolarHBondContact O-CG2 3.39Å; N183-T211 CarbonylContact O-C 3.5Å; N183-T211 WeakPolarHBondContact O-CA 3.45Å; N183-T211 VanDerWaalsContact O-CB 3.32Å; N183-T211 WeakPolarHBondContact O-CB 3.29Å; L185-T211 HydrophobicContact CD1-CG2 3.68Å; L185-T211 HydrophobicContact CG-CG2 3.92Å; L185-T211 PolarHBondContact N-O 2.8Å; L185-T211 VanDerWaalsContact N-O 3.11Å; G186-T211 PolarHBondContact N-O 3.05Å; L208-T211 HydrophobicContact CB-CG2 4.31Å; L208-T211 WeakPolarHBondContact O-CB 3.34Å; L208-T211 WeakPolarHBondContact O-CG2 3.45Å; L208-T211 PolarHBondContact O-N 2.85Å; L208-T211 PolarHBondContact O-OG1 3.22Å; E209-T211 VanDerWaalsContact C-N 3.25Å; E209-T211 PolarHBondContact O-N 3.15Å; E209-T211 VanDerWaalsContact O-N 3.17Å; T211-L213 VanDerWaalsContact OG1-CG 3.28Å; T211-L213 WeakPolarHBondContact OG1-CG 3.46Å; T211-N240 PolarHBondContact N-OD1 3.36Å
212G97.7Very high97.5Very high49 Ų4928.5 Ų28.551%0.50517%0.167SC..  trans76.929.1177.900000113.6N240G212-N240 PolarHBondContact N-OD1 3.29Å
213L98.3Very high97.7Very high0 Ų030.4 Ų30.40%018%0.175CC..  trans-78.1148178.3-56.3-178.5000111.7A190 L208 T211 S217 L237 N240 S241 I242A190-L213 HydrophobicContact CB-CD2 3.33Å; L208-L213 HydrophobicContact CB-CD1 3.89Å; L208-L213 HydrophobicContact CD1-CD1 3.98Å; T211-L213 VanDerWaalsContact OG1-CG 3.28Å; T211-L213 WeakPolarHBondContact OG1-CG 3.46Å; L213-S217 WeakPolarHBondContact CB-OG 3.34Å; L213-L237 HydrophobicContact CD1-CD2 3.79Å; L213-N240 HydrophobicContact CB-CB 3.93Å; L213-N240 WeakPolarHBondContact CB-OD1 3.38Å; L213-N240 PolarHBondContact N-OD1 3.29Å; L213-S241 WeakPolarHBondContact O-CA 3.42Å; L213-S241 PolarHBondContact O-N 3.22Å; L213-I242 HydrophobicContact CB-CD1 3.84Å; L213-I242 HydrophobicContact CB-CG1 4.31Å; L213-I242 HydrophobicContact CD1-CD1 4.33Å
214T98.4Very high97.7Very high51 Ų5130.6 Ų30.631%0.31318%0.176SC..BIsolated β-bridgetrans-114.8175.7170.781.40000111.5D187 Q216 S217 A218 S241D187-T214 PolarHBondContact OD1-N 3.27Å; D187-T214 PolarHBondContact OD1-OG1 3.22Å; D187-T214 PolarHBondContact OD2-OG1 3.29Å; T214-Q216 PolarHBondContact O-N 3.38Å; T214-Q216 WeakPolarHBondContact OG1-CB 3.37Å; T214-Q216 PolarHBondContact OG1-N 3.4Å; T214-Q216 VanDerWaalsContact OG1-N 3.09Å; T214-S217 PolarHBondContact N-OG 2.98Å; T214-S217 PolarHBondContact O-N 2.87Å; T214-S217 VanDerWaalsContact O-N 3.16Å; T214-S217 PolarHBondContact O-OG 3.27Å; T214-A218 PolarHBondContact O-N 2.97Å; T214-A218 VanDerWaalsContact O-N 3.09Å; T214-S241 WeakPolarHBondContact CA-O 3.36Å
215N97.9Very high97.6Very high74 Ų7430 Ų3040%0.39618%0.175SC..Hα-helixtrans-51.1-27168.9-77-15.7000113.4A218 Q219 S241 I242 S243 L246N215-A218 PolarHBondContact O-N 3.33Å; N215-Q219 WeakPolarHBondContact O-CB 3.47Å; N215-Q219 PolarHBondContact O-N 3.44Å; N215-S241 PolarHBondContact N-O 2.9Å; N215-I242 VanDerWaalsContact OD1-CA 3.27Å; N215-I242 WeakPolarHBondContact OD1-CA 3.22Å; N215-S243 PolarHBondContact OD1-N 3.28Å; N215-L246 HydrophobicContact CB-CD2 4.27Å
216Q97.4Very high97.4Very high127 Ų12733.9 Ų33.959%0.59319%0.191SC*.Hα-helixtrans-65.4-47.3178.3-178.859.263.400112.1T214 T220T214-Q216 PolarHBondContact O-N 3.38Å; T214-Q216 WeakPolarHBondContact OG1-CB 3.37Å; T214-Q216 PolarHBondContact OG1-N 3.4Å; T214-Q216 VanDerWaalsContact OG1-N 3.09Å; Q216-T220 PolarHBondContact O-N 2.96Å; Q216-T220 PolarHBondContact O-OG1 2.97Å; Q216-T220 VanDerWaalsContact O-OG1 3.13Å
217S96.3Very high97.3Very high1 Ų139.1 Ų39.11%0.00722%0.219CC..Hα-helixtrans-72.9-33.3176.148.10000112.7D187 L213 T214 Q219 T220 L221D187-S217 PolarHBondContact OD1-OG 2.96Å; L213-S217 WeakPolarHBondContact CB-OG 3.34Å; T214-S217 PolarHBondContact N-OG 2.98Å; T214-S217 PolarHBondContact O-N 2.87Å; T214-S217 VanDerWaalsContact O-N 3.16Å; T214-S217 PolarHBondContact O-OG 3.27Å; S217-Q219 VanDerWaalsContact C-N 3.31Å; S217-T220 WeakPolarHBondContact O-CB 3.48Å; S217-T220 PolarHBondContact O-N 3.23Å; S217-L221 WeakPolarHBondContact O-CG 3.33Å; S217-L221 PolarHBondContact O-N 2.82Å
218A97.3Very high97.1Very high0 Ų044.9 Ų44.90%024%0.241CC..Hα-helixtrans-64.1-39.1175.700000111.2T214 N215 T220 L221 L222 I242 L246T214-A218 PolarHBondContact O-N 2.97Å; T214-A218 VanDerWaalsContact O-N 3.09Å; N215-A218 PolarHBondContact O-N 3.33Å; A218-T220 VanDerWaalsContact C-N 3.35Å; A218-T220 PolarHBondContact O-N 2.86Å; A218-L221 PolarHBondContact O-N 3.03Å; A218-L222 WeakPolarHBondContact O-CB 3.42Å; A218-L222 PolarHBondContact O-N 3.19Å; A218-I242 HydrophobicContact CB-CB 4.38Å; A218-I242 HydrophobicContact CB-CD1 3.84Å; A218-I242 HydrophobicContact CB-CG1 3.9Å; A218-I242 HydrophobicContact CB-CG2 3.52Å; A218-L246 HydrophobicContact CB-CD2 3.4Å; A218-L246 HydrophobicContact CB-CG 3.86Å
219Q97.8Very high96.7Very high77 Ų7750.7 Ų50.736%0.3628%0.278SS..Hα-helixtrans-62.6-41.9172.3-170.562.754.300111.5N215 S217 L221 L222 D223N215-Q219 WeakPolarHBondContact O-CB 3.47Å; N215-Q219 PolarHBondContact O-N 3.44Å; S217-Q219 VanDerWaalsContact C-N 3.31Å; Q219-L221 VanDerWaalsContact C-N 3.29Å; Q219-L221 PolarHBondContact O-N 2.87Å; Q219-L222 WeakPolarHBondContact O-CB 3.41Å; Q219-L222 PolarHBondContact O-N 3.27Å; Q219-D223 PolarHBondContact NE2-OD1 3.29Å; Q219-D223 WeakPolarHBondContact O-CB 3.34Å; Q219-D223 PolarHBondContact O-N 2.83Å
220T97.6Very high96.4Very high49 Ų4951.1 Ų51.130%0.30128%0.283SS..Hα-helixtrans-61-38.2175-54.50000112.4A194 Q216 S217 A218 M224A194-T220 HydrophobicContact CB-CG2 3.96Å; Q216-T220 PolarHBondContact O-N 2.96Å; Q216-T220 PolarHBondContact O-OG1 2.97Å; Q216-T220 VanDerWaalsContact O-OG1 3.13Å; S217-T220 WeakPolarHBondContact O-CB 3.48Å; S217-T220 PolarHBondContact O-N 3.23Å; A218-T220 VanDerWaalsContact C-N 3.35Å; A218-T220 PolarHBondContact O-N 2.86Å; T220-M224 WeakPolarHBondContact O-CB 3.47Å; T220-M224 PolarHBondContact O-N 3.1Å
221L97.3Very high96.2Very high1 Ų151.6 Ų51.61%0.00529%0.285CS..Hα-helixtrans-70.3-39.6176.5-71.5161.3000111.3A194 L208 S217 A218 Q219 M224 V225 L235 L237 I250A194-L221 HydrophobicContact CB-CD2 3.83Å; A194-L221 HydrophobicContact CB-CG 4.47Å; L208-L221 HydrophobicContact CD1-CD1 4.21Å; S217-L221 WeakPolarHBondContact O-CG 3.33Å; S217-L221 PolarHBondContact O-N 2.82Å; A218-L221 PolarHBondContact O-N 3.03Å; Q219-L221 VanDerWaalsContact C-N 3.29Å; Q219-L221 PolarHBondContact O-N 2.87Å; L221-M224 HydrophobicContact CD2-CE 4.31Å; L221-M224 WeakPolarHBondContact O-CB 3.42Å; L221-M224 PolarHBondContact O-N 3.19Å; L221-V225 WeakPolarHBondContact O-CG2 3.35Å; L221-V225 PolarHBondContact O-N 3.1Å; L221-L235 HydrophobicContact CB-CD2 4.22Å; L221-L235 HydrophobicContact CD1-CD2 4.17Å; L221-L235 HydrophobicContact CD2-CD2 4.28Å; L221-L235 HydrophobicContact CG-CD2 4.45Å; L221-L237 HydrophobicContact CD1-CD2 4.08Å; L221-I250 HydrophobicContact CB-CD1 4.37Å
222L97.2Very high96.1Very high4 Ų451.9 Ų51.92%0.02129%0.287CS..Hα-helixtrans-60.4-53.3173177.660.9000111A218 Q219 M224 V225 E226 L246 Q249 I250 L253A218-L222 WeakPolarHBondContact O-CB 3.42Å; A218-L222 PolarHBondContact O-N 3.19Å; Q219-L222 WeakPolarHBondContact O-CB 3.41Å; Q219-L222 PolarHBondContact O-N 3.27Å; L222-M224 PolarHBondContact O-N 3.21Å; L222-M224 VanDerWaalsContact O-N 3.15Å; L222-V225 PolarHBondContact O-N 3.2Å; L222-E226 HydrophobicContact CD1-CG 4.03Å; L222-E226 HydrophobicContact CG-CG 4.35Å; L222-E226 WeakPolarHBondContact O-CG 3.32Å; L222-E226 PolarHBondContact O-N 3.2Å; L222-L246 HydrophobicContact CB-CD1 4.31Å; L222-L246 HydrophobicContact CD2-CD1 3.55Å; L222-Q249 HydrophobicContact CD1-CB 4.38Å; L222-I250 HydrophobicContact CB-CD1 4.23Å; L222-I250 HydrophobicContact CB-CG1 3.84Å; L222-I250 HydrophobicContact CD1-CG1 3.91Å; L222-I250 HydrophobicContact CG-CG1 4.45Å; L222-L253 HydrophobicContact CD1-CD1 3.41Å; L222-L253 VanDerWaalsContact CD1-CD1 3.41Å
223D96.7Very high95.9Very high69 Ų6955.3 Ų55.337%0.36928%0.284SS..Hα-helixtrans-56-35.6177.5-65.4-8.6000111Q219 N227Q219-D223 PolarHBondContact NE2-OD1 3.29Å; Q219-D223 WeakPolarHBondContact O-CB 3.34Å; Q219-D223 PolarHBondContact O-N 2.83Å; D223-N227 VanDerWaalsContact O-CB 3.29Å; D223-N227 WeakPolarHBondContact O-CB 3.27Å; D223-N227 PolarHBondContact O-N 2.96Å; D223-N227 VanDerWaalsContact O-N 3.12Å; D223-N227 PolarHBondContact O-ND2 2.86Å
224M96.1Very high95.8Very high7 Ų757.7 Ų57.73%0.03430%0.301CS..Hα-helixtrans-65.7-49.7176.3178.4-82.5-59.800112A194 V197 A198 T220 L221 L222 E226 N227 Y228A194-M224 HydrophobicContact CB-CB 4.33Å; A194-M224 HydrophobicContact CB-CG 4.48Å; A194-M224 WeakPolarHBondContact O-CG 3.13Å; V197-M224 HydrophobicContact CB-CE 3.9Å; V197-M224 HydrophobicContact CB-SD 4.24Å; V197-M224 HydrophobicContact CG1-CE 3.42Å; V197-M224 VanDerWaalsContact CG1-CE 3.42Å; V197-M224 HydrophobicContact CG1-SD 3.75Å; A198-M224 HydrophobicContact CB-CG 3.73Å; A198-M224 HydrophobicContact CB-SD 4.31Å; T220-M224 WeakPolarHBondContact O-CB 3.47Å; T220-M224 PolarHBondContact O-N 3.1Å; L221-M224 HydrophobicContact CD2-CE 4.31Å; L221-M224 WeakPolarHBondContact O-CB 3.42Å; L221-M224 PolarHBondContact O-N 3.19Å; L222-M224 PolarHBondContact O-N 3.21Å; L222-M224 VanDerWaalsContact O-N 3.15Å; M224-E226 VanDerWaalsContact C-N 3.34Å; M224-E226 PolarHBondContact O-N 2.98Å; M224-N227 PolarHBondContact O-N 3.48Å; M224-Y228 WeakPolarHBondContact O-CB 3.39Å; M224-Y228 PolarHBondContact O-N 3.28Å
225V95.5Very high95.8Very high20 Ų2055.7 Ų55.712%0.12129%0.288CS..Hα-helixtrans-64.8-38.8179.5175.60000111.2L221 L222 I250 L253 L254L221-V225 WeakPolarHBondContact O-CG2 3.35Å; L221-V225 PolarHBondContact O-N 3.1Å; L222-V225 PolarHBondContact O-N 3.2Å; V225-I250 HydrophobicContact CG2-CG2 4.49Å; V225-L253 HydrophobicContact CG1-CB 3.8Å; V225-L253 HydrophobicContact CG1-CD1 4.4Å; V225-L254 HydrophobicContact CG1-CD2 3.74Å; V225-L254 HydrophobicContact CG1-CG 4.19Å; V225-L254 HydrophobicContact CG2-CD2 3.84Å; V225-L254 HydrophobicContact CG2-CG 4.43Å
226E95.1Very high95.7Very high108 Ų10854.2 Ų54.251%0.50528%0.281SS..Hα-helixtrans-68.3-36.9179.7-74-177.5166.700113.4L222 M224 L253L222-E226 HydrophobicContact CD1-CG 4.03Å; L222-E226 HydrophobicContact CG-CG 4.35Å; L222-E226 WeakPolarHBondContact O-CG 3.32Å; L222-E226 PolarHBondContact O-N 3.2Å; M224-E226 VanDerWaalsContact C-N 3.34Å; M224-E226 PolarHBondContact O-N 2.98Å; E226-L253 HydrophobicContact CG-CD1 3.44Å; E226-L253 VanDerWaalsContact CG-CD1 3.44Å
227N94.9Very high95.7Very high111 Ų11148.6 Ų48.659%0.59426%0.255SS*.Hα-helixtrans-107.6-11.4-166.8-65.1-79.4000114.4D223 M224D223-N227 VanDerWaalsContact O-CB 3.29Å; D223-N227 WeakPolarHBondContact O-CB 3.27Å; D223-N227 PolarHBondContact O-N 2.96Å; D223-N227 VanDerWaalsContact O-N 3.12Å; D223-N227 PolarHBondContact O-ND2 2.86Å; M224-N227 PolarHBondContact O-N 3.48Å
228Y93.9Very high95.7Very high139 Ų13950.3 Ų50.355%0.54527%0.27SS..SBendtrans-130.7133.9-176.5-60.2-88.1000111.6A198 M224 T230A198-Y228 HydrophobicContact CB-CD2 4.46Å; A198-Y228 HydrophobicContact CB-CG 4.13Å; M224-Y228 WeakPolarHBondContact O-CB 3.39Å; M224-Y228 PolarHBondContact O-N 3.28Å; Y228-T230 PolarHBondContact O-N 3.24Å
229P90.6Very high95.7Very high121 Ų12156.8 Ų56.879%0.78630%0.3SS*.  trans-64.5127.5173.427.3-32.8000109.5
230T92.1Very high95.7Very high42 Ų4254.2 Ų54.226%0.25829%0.289SS..  trans-130.7152-178.6-173.10000110.8Y228 L232 L254Y228-T230 PolarHBondContact O-N 3.24Å; T230-L232 HydrophobicContact CG2-CB 3.92Å; T230-L232 WeakPolarHBondContact OG1-CB 3.21Å; T230-L232 PolarHBondContact OG1-N 3.29Å; T230-L254 HydrophobicContact CG2-CD2 4.43Å
231A93.7Very high95.7Very high32 Ų3256.4 Ų56.426%0.26431%0.306SS..  trans-83.9-4169.600000112.3L203 E204 R233L203-A231 CarbonylContact O-C 3.56Å; E204-A231 WeakPolarHBondContact CA-O 3.33Å; A231-R233 PolarHBondContact O-N 3.16Å
232L95.7Very high95.7Very high8 Ų857 Ų574%0.04231%0.31CS..  trans-65.8131.9-176.2-164.174.2000110.2V197 L203 L206 T230 L235 L254V197-L232 HydrophobicContact CG1-CB 4.26Å; V197-L232 HydrophobicContact CG1-CD2 4.08Å; L203-L232 HydrophobicContact CG-CD1 4.44Å; L203-L232 WeakPolarHBondContact O-CA 3.47Å; L203-L232 PolarHBondContact O-N 3.42Å; L203-L232 VanDerWaalsContact O-N 3.12Å; L206-L232 HydrophobicContact CB-CD1 3.83Å; T230-L232 HydrophobicContact CG2-CB 3.92Å; T230-L232 WeakPolarHBondContact OG1-CB 3.21Å; T230-L232 PolarHBondContact OG1-N 3.29Å; L232-L235 HydrophobicContact CD2-CB 3.98Å; L232-L235 HydrophobicContact CD2-CD1 4.34Å; L232-L235 HydrophobicContact CD2-CD2 4.44Å; L232-L235 HydrophobicContact CD2-CG 4.48Å; L232-L254 HydrophobicContact CB-CD2 4.12Å; L232-L254 HydrophobicContact CD2-CD1 4.19Å; L232-L254 HydrophobicContact CD2-CD2 4.15Å; L232-L254 HydrophobicContact CG-CD2 4.26Å; L232-L254 WeakPolarHBondContact O-CD2 3.43Å
233R94.5Very high95.7Very high121 Ų12158.6 Ų58.646%0.45732%0.321SS..  trans-120.7-27.1178.1-62.1172.8-179.7-127.6-3.3111.7E204 A231 E258 E261E204-R233 PolarHBondContact O-N 3.43Å; A231-R233 PolarHBondContact O-N 3.16Å; R233-E258 WeakPolarHBondContact CD-OE1 3.26Å; R233-E258 IonicContact NH1-OE1 3.36Å; R233-E258 PolarHBondContact NH1-OE1 3.13Å; R233-E261 IonicContact NH2-OE2 2.96Å
234S96.1Very high95.7Very high49 Ų4959.6 Ų59.634%0.34333%0.331SS..EExtended strand (participates in β ladder)trans-134.1122.4-179.9179.30000110.7E204 V205 L206E204-S234 PolarHBondContact O-N 3.08Å; E204-S234 VanDerWaalsContact O-N 3.1Å; V205-S234 WeakPolarHBondContact CA-O 3.43Å; L206-S234 PolarHBondContact N-O 3.2Å
235L97.3Very high95.7Very high10 Ų1065.3 Ų65.35%0.05236%0.358CS..EExtended strand (participates in β ladder)trans-122.5108.6170.9-174.159.6000109.6L206 L208 L221 L232 L237 I250 L254L206-L235 HydrophobicContact CB-CD1 3.86Å; L206-L235 HydrophobicContact CD2-CD1 3.81Å; L206-L235 HydrophobicContact CG-CD1 3.83Å; L206-L235 WeakPolarHBondContact O-CA 3.28Å; L208-L235 HydrophobicContact CD1-CD1 4.1Å; L208-L235 HydrophobicContact CG-CD1 4.43Å; L221-L235 HydrophobicContact CB-CD2 4.22Å; L221-L235 HydrophobicContact CD1-CD2 4.17Å; L221-L235 HydrophobicContact CD2-CD2 4.28Å; L221-L235 HydrophobicContact CG-CD2 4.45Å; L232-L235 HydrophobicContact CD2-CB 3.98Å; L232-L235 HydrophobicContact CD2-CD1 4.34Å; L232-L235 HydrophobicContact CD2-CD2 4.44Å; L232-L235 HydrophobicContact CD2-CG 4.48Å; L235-L237 HydrophobicContact CD1-CD2 4.41Å; L235-L237 HydrophobicContact CD2-CD1 4.07Å; L235-L237 HydrophobicContact CD2-CD2 4.25Å; L235-L237 HydrophobicContact CD2-CG 4.26Å; L235-L237 HydrophobicContact CG-CD1 4.27Å; L235-L237 HydrophobicContact CG-CD2 4.05Å; L235-L237 HydrophobicContact CG-CG 3.96Å; L235-I250 HydrophobicContact CD2-CG2 3.9Å; L235-L254 HydrophobicContact CB-CD1 3.71Å
236V97.5Very high95.7Very high42 Ų4264.9 Ų64.926%0.25536%0.355SS..EExtended strand (participates in β ladder)trans-88.6120.2179.4-172.80000109.1L206 D207 L208 E209 A238L206-V236 PolarHBondContact O-N 2.94Å; D207-V236 HydrophobicContact CB-CB 4.31Å; D207-V236 HydrophobicContact CB-CG2 4.48Å; D207-V236 WeakPolarHBondContact OD1-CB 3.32Å; L208-V236 CarbonylContact C-O 3.53Å; L208-V236 WeakPolarHBondContact CA-O 3.42Å; L208-V236 PolarHBondContact N-O 3.24Å; E209-V236 HydrophobicContact CB-CG1 4.13Å; E209-V236 PolarHBondContact N-O 3.09Å; V236-A238 HydrophobicContact CG1-CB 4.44Å
237L97.4Very high95.8Very high9 Ų962.1 Ų62.15%0.04734%0.342CS..  trans-123.610-176.2-64.8175.1000113.1L208 L213 L221 L235 N240 I242 Q247 I250L208-L237 HydrophobicContact CB-CD2 4.25Å; L208-L237 HydrophobicContact CD1-CD2 4.3Å; L213-L237 HydrophobicContact CD1-CD2 3.79Å; L221-L237 HydrophobicContact CD1-CD2 4.08Å; L235-L237 HydrophobicContact CD1-CD2 4.41Å; L235-L237 HydrophobicContact CD2-CD1 4.07Å; L235-L237 HydrophobicContact CD2-CD2 4.25Å; L235-L237 HydrophobicContact CD2-CG 4.26Å; L235-L237 HydrophobicContact CG-CD1 4.27Å; L235-L237 HydrophobicContact CG-CD2 4.05Å; L235-L237 HydrophobicContact CG-CG 3.96Å; L237-N240 WeakPolarHBondContact O-CB 3.38Å; L237-N240 PolarHBondContact O-ND2 2.74Å; L237-I242 HydrophobicContact CB-CD1 4.04Å; L237-I242 HydrophobicContact CD1-CD1 4.31Å; L237-I242 HydrophobicContact CD2-CD1 4.18Å; L237-I242 HydrophobicContact CG-CD1 4.41Å; L237-Q247 HydrophobicContact CB-CG 4.17Å; L237-Q247 HydrophobicContact CD1-CG 4.47Å; L237-Q247 PolarHBondContact O-NE2 3.36Å; L237-I250 HydrophobicContact CD1-CD1 3.76Å
238A96.2Very high95.8Very high38 Ų3861.9 Ų61.931%0.31434%0.337SS..THydrogen-bonded Turntrans-55.8160.6179.600000111.9E209 G210 V236 N240E209-A238 CarbonylContact C-O 3.59Å; E209-A238 VanDerWaalsContact CA-O 3.28Å; E209-A238 WeakPolarHBondContact CA-O 3.34Å; E209-A238 HydrophobicContact CG-CB 3.97Å; E209-A238 WeakPolarHBondContact CG-O 3.48Å; G210-A238 PolarHBondContact N-O 3.26Å; V236-A238 HydrophobicContact CG1-CB 4.44Å; A238-N240 PolarHBondContact O-N 3.33Å; A238-N240 PolarHBondContact O-ND2 3.22Å
239E96.8Very high95.9Very high136 Ų13660 Ų6064%0.63633%0.333SS*.THydrogen-bonded Turntrans55.524.9177.9-53.3-158.3173.900115.9Y182 E209 G210Y182-E239 WeakPolarHBondContact CE1-OE2 3.49Å; E209-E239 HydrophobicContact CG-CB 4.03Å; E209-E239 HydrophobicContact CG-CG 4.06Å; G210-E239 WeakPolarHBondContact CA-O 3.29Å
240N97.8Very high96.2Very high22 Ų2254.2 Ų54.212%0.11830%0.296CS..SBendtrans-110169172-71.9-69.2000111.8L208 T211 G212 L213 L237 A238 I242L208-N240 PolarHBondContact O-ND2 3.25Å; T211-N240 PolarHBondContact N-OD1 3.36Å; G212-N240 PolarHBondContact N-OD1 3.29Å; L213-N240 HydrophobicContact CB-CB 3.93Å; L213-N240 WeakPolarHBondContact CB-OD1 3.38Å; L213-N240 PolarHBondContact N-OD1 3.29Å; L237-N240 WeakPolarHBondContact O-CB 3.38Å; L237-N240 PolarHBondContact O-ND2 2.74Å; A238-N240 PolarHBondContact O-N 3.33Å; A238-N240 PolarHBondContact O-ND2 3.22Å; N240-I242 HydrophobicContact CB-CD1 3.74Å; N240-I242 HydrophobicContact CB-CG1 3.92Å; N240-I242 PolarHBondContact O-N 3.48Å
241S98.1Very high96.3Very high95 Ų9555 Ų5566%0.66430%0.302SS*.BIsolated β-bridgetrans-84.452.9174.6-61.90000111.5L213 T214 N215L213-S241 WeakPolarHBondContact O-CA 3.42Å; L213-S241 PolarHBondContact O-N 3.22Å; T214-S241 WeakPolarHBondContact CA-O 3.36Å; N215-S241 PolarHBondContact N-O 2.9Å
242I97.6Very high96.3Very high15 Ų1556.9 Ų56.98%0.07731%0.308CS..  trans-113.7139.7-178.2-57.1166.2000109L213 N215 A218 L237 N240 L246 Q247L213-I242 HydrophobicContact CB-CD1 3.84Å; L213-I242 HydrophobicContact CB-CG1 4.31Å; L213-I242 HydrophobicContact CD1-CD1 4.33Å; N215-I242 VanDerWaalsContact OD1-CA 3.27Å; N215-I242 WeakPolarHBondContact OD1-CA 3.22Å; A218-I242 HydrophobicContact CB-CB 4.38Å; A218-I242 HydrophobicContact CB-CD1 3.84Å; A218-I242 HydrophobicContact CB-CG1 3.9Å; A218-I242 HydrophobicContact CB-CG2 3.52Å; L237-I242 HydrophobicContact CB-CD1 4.04Å; L237-I242 HydrophobicContact CD1-CD1 4.31Å; L237-I242 HydrophobicContact CD2-CD1 4.18Å; L237-I242 HydrophobicContact CG-CD1 4.41Å; N240-I242 HydrophobicContact CB-CD1 3.74Å; N240-I242 HydrophobicContact CB-CG1 3.92Å; N240-I242 PolarHBondContact O-N 3.48Å; I242-L246 HydrophobicContact CG2-CB 4.15Å; I242-L246 HydrophobicContact CG2-CD2 4.26Å; I242-L246 HydrophobicContact CG2-CG 4.34Å; I242-Q247 HydrophobicContact CB-CG 4.18Å; I242-Q247 HydrophobicContact CG2-CG 3.68Å
243S97Very high96.2Very high36 Ų3659 Ų5925%0.25232%0.319SS..  trans-69.8142.2177.171.60000111.3N215 E245 L246 Q247N215-S243 PolarHBondContact OD1-N 3.28Å; S243-E245 WeakPolarHBondContact CB-OE2 3.29Å; S243-E245 PolarHBondContact O-N 3.12Å; S243-E245 PolarHBondContact OG-OE2 3.21Å; S243-L246 PolarHBondContact O-N 2.98Å; S243-Q247 PolarHBondContact O-N 3.33Å; S243-Q247 VanDerWaalsContact O-N 3.16Å
244P95.9Very high96.2Very high91 Ų9153.8 Ų53.859%0.59130%0.3SS*.Hα-helixtrans-56.5-33.9179-25.634.8000113.1L246 Q247 Q248P244-L246 VanDerWaalsContact C-N 3.33Å; P244-L246 PolarHBondContact O-N 3.4Å; P244-Q247 PolarHBondContact O-N 3.15Å; P244-Q248 WeakPolarHBondContact O-CB 3.44Å; P244-Q248 PolarHBondContact O-N 3.12Å
245E96.2Very high95.8Very high126 Ų12654.3 Ų54.359%0.58930%0.304SS*.Hα-helixtrans-62.8-40.7178.4-6074.5-161.200111.6S243 Q248 Q249S243-E245 WeakPolarHBondContact CB-OE2 3.29Å; S243-E245 PolarHBondContact O-N 3.12Å; S243-E245 PolarHBondContact OG-OE2 3.21Å; E245-Q248 PolarHBondContact O-N 2.95Å; E245-Q249 VanDerWaalsContact O-CG 3.29Å; E245-Q249 WeakPolarHBondContact O-CG 3.29Å; E245-Q249 PolarHBondContact O-N 3.21Å
246L95.7Very high95Very high12 Ų1259.7 Ų59.76%0.06333%0.328CS..Hα-helixtrans-75.1-35.6-178.6-173.656.2000111.3N215 A218 L222 I242 S243 P244 I250N215-L246 HydrophobicContact CB-CD2 4.27Å; A218-L246 HydrophobicContact CB-CD2 3.4Å; A218-L246 HydrophobicContact CB-CG 3.86Å; L222-L246 HydrophobicContact CB-CD1 4.31Å; L222-L246 HydrophobicContact CD2-CD1 3.55Å; I242-L246 HydrophobicContact CG2-CB 4.15Å; I242-L246 HydrophobicContact CG2-CD2 4.26Å; I242-L246 HydrophobicContact CG2-CG 4.34Å; S243-L246 PolarHBondContact O-N 2.98Å; P244-L246 VanDerWaalsContact C-N 3.33Å; P244-L246 PolarHBondContact O-N 3.4Å; L246-I250 WeakPolarHBondContact O-CG1 3.49Å; L246-I250 PolarHBondContact O-N 3.07Å
247Q95.9Very high93.5Very high50 Ų5059.9 Ų59.923%0.23434%0.339CS..Hα-helixtrans-62-46.6170.9-67.2-177-6.100111.1L237 I242 S243 P244 Q249 I250 C251L237-Q247 HydrophobicContact CB-CG 4.17Å; L237-Q247 HydrophobicContact CD1-CG 4.47Å; L237-Q247 PolarHBondContact O-NE2 3.36Å; I242-Q247 HydrophobicContact CB-CG 4.18Å; I242-Q247 HydrophobicContact CG2-CG 3.68Å; S243-Q247 PolarHBondContact O-N 3.33Å; S243-Q247 VanDerWaalsContact O-N 3.16Å; P244-Q247 PolarHBondContact O-N 3.15Å; Q247-Q249 PolarHBondContact O-N 3.42Å; Q247-I250 PolarHBondContact O-N 3.29Å; Q247-C251 PolarHBondContact O-N 3.14Å; Q247-C251 PolarHBondContact O-SG 3.38Å; Q247-C251 VanDerWaalsContact O-SG 3.33Å
248Q95.6Very high91.6Very high106 Ų10663.5 Ų63.550%0.49536%0.356SS..Hα-helixtrans-62.6-43.4-179.7-168.963.155.400111.8P244 E245 I250 C251 D252P244-Q248 WeakPolarHBondContact O-CB 3.44Å; P244-Q248 PolarHBondContact O-N 3.12Å; E245-Q248 PolarHBondContact O-N 2.95Å; Q248-I250 VanDerWaalsContact C-N 3.31Å; Q248-I250 PolarHBondContact O-N 3.15Å; Q248-C251 PolarHBondContact O-N 3.02Å; Q248-C251 VanDerWaalsContact O-N 3.15Å; Q248-D252 PolarHBondContact NE2-OD1 2.91Å; Q248-D252 PolarHBondContact O-N 3.3Å
249Q96.2Very high89.7Confident98 Ų9868.5 Ų68.546%0.45837%0.372SS..Hα-helixtrans-55.9-44.2176-78.2173.8-7.600112.6L222 E245 Q247 L253L222-Q249 HydrophobicContact CD1-CB 4.38Å; E245-Q249 VanDerWaalsContact O-CG 3.29Å; E245-Q249 WeakPolarHBondContact O-CG 3.29Å; E245-Q249 PolarHBondContact O-N 3.21Å; Q247-Q249 PolarHBondContact O-N 3.42Å; Q249-L253 WeakPolarHBondContact O-CG 3.5Å; Q249-L253 PolarHBondContact O-N 3.42Å
250I96.3Very high87.6Confident0 Ų069.6 Ų69.60%038%0.377CS..Hα-helixtrans-66.2-44.4177.4-63.3165.5000110.6L221 L222 V225 L235 L237 L246 Q247 Q248 D252 L253 L254L221-I250 HydrophobicContact CB-CD1 4.37Å; L222-I250 HydrophobicContact CB-CD1 4.23Å; L222-I250 HydrophobicContact CB-CG1 3.84Å; L222-I250 HydrophobicContact CD1-CG1 3.91Å; L222-I250 HydrophobicContact CG-CG1 4.45Å; V225-I250 HydrophobicContact CG2-CG2 4.49Å; L235-I250 HydrophobicContact CD2-CG2 3.9Å; L237-I250 HydrophobicContact CD1-CD1 3.76Å; L246-I250 WeakPolarHBondContact O-CG1 3.49Å; L246-I250 PolarHBondContact O-N 3.07Å; Q247-I250 PolarHBondContact O-N 3.29Å; Q248-I250 VanDerWaalsContact C-N 3.31Å; Q248-I250 PolarHBondContact O-N 3.15Å; I250-D252 VanDerWaalsContact C-N 3.35Å; I250-D252 PolarHBondContact O-N 3.12Å; I250-L253 PolarHBondContact O-N 3.41Å; I250-L254 HydrophobicContact CG2-CD1 3.95Å; I250-L254 HydrophobicContact CG2-CG 4.4Å; I250-L254 WeakPolarHBondContact O-CG 3.39Å; I250-L254 PolarHBondContact O-N 3Å; I250-L254 VanDerWaalsContact O-N 3.1Å
251C94.4Very high85.4Confident58 Ų5875.1 Ų75.139%0.39240%0.403SS..Hα-helixtrans-60.2-43.5178.2-700000112.4Q247 Q248 L254 S255Q247-C251 PolarHBondContact O-N 3.14Å; Q247-C251 PolarHBondContact O-SG 3.38Å; Q247-C251 VanDerWaalsContact O-SG 3.33Å; Q248-C251 PolarHBondContact O-N 3.02Å; Q248-C251 VanDerWaalsContact O-N 3.15Å; C251-L254 PolarHBondContact O-N 3.36Å; C251-S255 PolarHBondContact O-N 3.4Å; C251-S255 PolarHBondContact O-OG 2.88Å
252D94Very high83Confident72 Ų7278.7 Ų78.739%0.38541%0.409SS..Hα-helixtrans-61-48.9-179.9-66.9-14.8000110.3Q248 I250 L254 S255 E256Q248-D252 PolarHBondContact NE2-OD1 2.91Å; Q248-D252 PolarHBondContact O-N 3.3Å; I250-D252 VanDerWaalsContact C-N 3.35Å; I250-D252 PolarHBondContact O-N 3.12Å; D252-L254 VanDerWaalsContact C-N 3.34Å; D252-L254 PolarHBondContact O-N 3.39Å; D252-S255 PolarHBondContact O-N 3.44Å; D252-S255 VanDerWaalsContact O-N 3.08Å; D252-S255 PolarHBondContact O-OG 3.28Å; D252-E256 WeakPolarHBondContact O-CG 3.49Å; D252-E256 PolarHBondContact O-N 3.33Å
253L94.5Very high80.8Confident54 Ų5483.4 Ų83.428%0.28344%0.438SS..Hα-helixtrans-61.2-38.3178-72.8171.5000113.6L222 V225 E226 Q249 I250 S255L222-L253 HydrophobicContact CD1-CD1 3.41Å; L222-L253 VanDerWaalsContact CD1-CD1 3.41Å; V225-L253 HydrophobicContact CG1-CB 3.8Å; V225-L253 HydrophobicContact CG1-CD1 4.4Å; E226-L253 HydrophobicContact CG-CD1 3.44Å; E226-L253 VanDerWaalsContact CG-CD1 3.44Å; Q249-L253 WeakPolarHBondContact O-CG 3.5Å; Q249-L253 PolarHBondContact O-N 3.42Å; I250-L253 PolarHBondContact O-N 3.41Å; L253-S255 VanDerWaalsContact C-N 3.29Å; L253-S255 PolarHBondContact O-N 2.91Å
254L93.2Very high78.6Confident11 Ų1185.9 Ų85.96%0.05846%0.461CS..Hα-helixtrans-69.1-29.8176.9-67.4174.2000112.1V225 T230 L232 L235 I250 C251 D252V225-L254 HydrophobicContact CG1-CD2 3.74Å; V225-L254 HydrophobicContact CG1-CG 4.19Å; V225-L254 HydrophobicContact CG2-CD2 3.84Å; V225-L254 HydrophobicContact CG2-CG 4.43Å; T230-L254 HydrophobicContact CG2-CD2 4.43Å; L232-L254 HydrophobicContact CB-CD2 4.12Å; L232-L254 HydrophobicContact CD2-CD1 4.19Å; L232-L254 HydrophobicContact CD2-CD2 4.15Å; L232-L254 HydrophobicContact CG-CD2 4.26Å; L232-L254 WeakPolarHBondContact O-CD2 3.43Å; L235-L254 HydrophobicContact CB-CD1 3.71Å; I250-L254 HydrophobicContact CG2-CD1 3.95Å; I250-L254 HydrophobicContact CG2-CG 4.4Å; I250-L254 WeakPolarHBondContact O-CG 3.39Å; I250-L254 PolarHBondContact O-N 3Å; I250-L254 VanDerWaalsContact O-N 3.1Å; C251-L254 PolarHBondContact O-N 3.36Å; D252-L254 VanDerWaalsContact C-N 3.34Å; D252-L254 PolarHBondContact O-N 3.39Å
255S88.3Confident76.3Confident59 Ų5985 Ų8541%0.41347%0.469SS..Hα-helixtrans-78.1-33.6177.268.20000113.7C251 D252 L253 G257 E258C251-S255 PolarHBondContact O-N 3.4Å; C251-S255 PolarHBondContact O-OG 2.88Å; D252-S255 PolarHBondContact O-N 3.44Å; D252-S255 VanDerWaalsContact O-N 3.08Å; D252-S255 PolarHBondContact O-OG 3.28Å; L253-S255 VanDerWaalsContact C-N 3.29Å; L253-S255 PolarHBondContact O-N 2.91Å; S255-G257 VanDerWaalsContact C-N 3.3Å; S255-G257 PolarHBondContact O-N 2.94Å; S255-E258 PolarHBondContact O-N 3.36Å
256E79.9Confident73.7Confident123 Ų12382.3 Ų82.358%0.57547%0.474SS*.Hα-helixtrans-64.5-34.1177.8-72.9179.9175.400112.3D252 E258 E259D252-E256 WeakPolarHBondContact O-CG 3.49Å; D252-E256 PolarHBondContact O-N 3.33Å; E256-E258 PolarHBondContact O-N 3.49Å; E256-E259 PolarHBondContact O-N 3.1Å
257G66.6Low71Confident46 Ų4686.4 Ų86.447%0.47451%0.51SS..Hα-helixtrans-63.4-18.8177.100000114.6S255S255-G257 VanDerWaalsContact C-N 3.3Å; S255-G257 PolarHBondContact O-N 2.94Å
258E58.6Low68.1Low85 Ų8587.3 Ų87.340%0.39753%0.533SS..Hα-helixtrans-77.7-32.6177.5-58.7-162.4133.500112.5R233 S255 E256R233-E258 WeakPolarHBondContact CD-OE1 3.26Å; R233-E258 IonicContact NH1-OE1 3.36Å; R233-E258 PolarHBondContact NH1-OE1 3.13Å; S255-E258 PolarHBondContact O-N 3.36Å; E256-E258 PolarHBondContact O-N 3.49Å
259E54.5Low65.2Low143 Ų14389.8 Ų89.867%0.66855%0.549SS*.Hα-helixtrans-74.7-33.4-175.9-63.1-168.5168.200112.4E256 E262 V263E256-E259 PolarHBondContact O-N 3.1Å; E259-E262 PolarHBondContact O-N 3.18Å; E259-V263 WeakPolarHBondContact O-CG2 3.4Å; E259-V263 PolarHBondContact O-N 3.27Å
260E53.7Low62.3Low159 Ų15991.1 Ų91.174%0.74356%0.564SS**Hα-helixtrans-69.1-34.1-179.1-67.9-165.5159.100113.3A264E260-A264 PolarHBondContact O-N 2.93Å
261E50.5Low59.4Low139 Ų13999.8 Ų99.865%0.6561%0.605SS**Hα-helixtrans-70.1-37.2175.6-80.8-164.4153.600112.4R233R233-E261 IonicContact NH2-OE2 2.96Å
262E49.6Very low56.4Low169 Ų169105.2 Ų105.279%0.7962%0.624SS**Hα-helixtrans-69.4-37.4177.7-76.7-160.3155.800112.3E259 A264 G265E259-E262 PolarHBondContact O-N 3.18Å; E262-A264 PolarHBondContact O-N 3.22Å; E262-G265 PolarHBondContact O-N 2.83Å
263V50.2Low53.6Low115 Ų115113.9 Ų113.970%0.69765%0.652SS**Hα-helixtrans-69.9-32.7179.3177.10000111.9E259 G265 G266E259-V263 WeakPolarHBondContact O-CG2 3.4Å; E259-V263 PolarHBondContact O-N 3.27Å; V263-G265 VanDerWaalsContact C-N 3.26Å; V263-G265 PolarHBondContact O-N 3.28Å; V263-G266 PolarHBondContact O-N 3.38Å
264A50.7Low50.5Low88 Ų88120 Ų12073%0.72768%0.679SS**Hα-helixtrans-68.2-21.717700000113.7E260 E262E260-A264 PolarHBondContact O-N 2.93Å; E262-A264 PolarHBondContact O-N 3.22Å
265G48.8Very low47.8Very low73 Ų73131.2 Ų131.275%0.75372%0.72SS**THydrogen-bonded Turntrans-83.8-8.8177.600000115.5E262 V263E262-G265 PolarHBondContact O-N 2.83Å; V263-G265 VanDerWaalsContact C-N 3.26Å; V263-G265 PolarHBondContact O-N 3.28Å
266G40.9Very low45.1Very low68 Ų68132 Ų13270%0.70174%0.738SS**SBendtrans-101.6-2.9-16800000117.3V263V263-G266 PolarHBondContact O-N 3.38Å
267A38.8Very low42.9Very low99 Ų99138.2 Ų138.282%0.81876%0.756SS**  trans-113.276.1-175.700000112.1
268G35Very low41.2Very low69 Ų69144.8 Ų144.871%0.71178%0.775SS**  trans-15658.9178.900000113.6
269D35.6Very low40.4Very low157 Ų157146.2 Ų146.284%0.8479%0.791SS**  trans-151.6138.7156.4-116.3-18.7000113.8
270T33.6Very low39.4Very low126 Ų126143.9 Ų143.977%0.77380%0.797SS**  trans79.897.7168.762.10000120.2
271Q37Very low38.4Very low182 Ų182140.4 Ų140.485%0.8580%0.795SS**  -172136.5102-99-179.618.200113.3
272E31.1Very low37.6Very low172 Ų172143.1 Ų143.180%0.80481%0.807SS**  trans-60.2142.8175.6-61.4164.6129.500113.1
273W35Very low36.7Very low254 Ų254144.3 Ų144.396%0.96281%0.813SS**  trans-152.6121.3131-84.3-37.4000112.3
274E30.3Very low35.7Very low182 Ų182150.5 Ų150.585%0.8582%0.824SS**  trans-61.5138.5169.6-56.7174131.400112
275R35.4Very low34.6Very low247 Ų247150.4 Ų150.493%0.93283%0.832SS**  171.6114.2124.4-94.1178.4-146.8-137.56.1112.1
276G32.2Very low33.8Very low76 Ų76152.2 Ų152.278%0.78483%0.832SS**  93.5115122.800000119.5
277R32.2Very low33.2Very low254 Ų254154 Ų15496%0.95883%0.834SS**  trans88.398153.7-64.6-173.1-175.2-140.11.7118.8
278E32.8Very low32.8Very low184 Ų184153.9 Ų153.986%0.8683%0.828SS**  trans-84.3176.3134.6-87.1-162.9151.700110.4
279P41.4Very low32.4Very low114 Ų114161.8 Ų161.874%0.7484%0.836SS**  cis-139.71727.825.1-0.1000116.4
280A33.8Very low32Very low95 Ų95162.6 Ų162.679%0.78584%0.837SS**  133.1116.3120.600000117
281A31.1Very low31.7Very low86 Ų86162.4 Ų162.471%0.71184%0.839SS**  trans67.9106.3136.900000119.9
282H35.2Very low31.3Very low196 Ų196159.6 Ų159.691%0.90784%0.837SS**  -159.3131.6109.9-96.7-17.3000112.6
283Q28.9Very low31.4Very low193 Ų193157.1 Ų157.190%0.90284%0.838SS**  trans-65.9124.7177.6-69.7168-3.600110.7
284R31.3Very low31.2Very low245 Ų245151 Ų15193%0.92582%0.824SS**  trans-136.3116.8146-85.7-167.4174.3-160.3-1.3108.3S286R284-S286 PolarHBondContact O-N 3.07Å
285G26.7Very low31Very low87 Ų87148.5 Ų148.590%0.89782%0.824SS**  trans-66.6124.8174.100000110.7
286S31.3Very low30.6Very low110 Ų110140.7 Ų140.777%0.76981%0.807SS**  trans-143.5104.6152.7-172.30000106.1R284 S288R284-S286 PolarHBondContact O-N 3.07Å; S286-S288 PolarHBondContact O-N 3.09Å; S286-S288 VanDerWaalsContact O-N 3.15Å
287S28.7Very low30.5Very low105 Ų105142.8 Ų142.873%0.73481%0.81SS**  trans-77.286.8172.738.90000108.9W289S287-W289 PolarHBondContact O-N 2.93Å
288S29.7Very low30.3Very low98 Ų98139.7 Ų139.769%0.68581%0.806SS**  trans-81.6104.8161.769.30000108.4S286 M290S286-S288 PolarHBondContact O-N 3.09Å; S286-S288 VanDerWaalsContact O-N 3.15Å; S288-M290 PolarHBondContact O-N 2.77Å
289W27.7Very low30Very low234 Ų234137.1 Ų137.189%0.88680%0.796SS**  trans-69113.3167.9-77.962.4000108.5S287S287-W289 PolarHBondContact O-N 2.93Å
290M25.9Very low29.3Very low175 Ų175137.1 Ų137.186%0.86279%0.794SS**PPolyproline II helixtrans-71.4126.3166.2-73.9176.5159.200108.8S288S288-M290 PolarHBondContact O-N 2.77Å
291C27.6Very low29Very low122 Ų122139.8 Ų139.882%0.82479%0.794SS**PPolyproline II helixtrans-85136.4165.4-72.70000109
292P29.4Very low28.8Very low123 Ų123139.9 Ų139.980%0.79978%0.781SS**PPolyproline II helixtrans-80.1136.7169.611.92.7000110.6D294P292-D294 PolarHBondContact O-N 3.28Å
293S32.3Very low28.6Very low119 Ų119136.1 Ų136.183%0.83277%0.772SS**PPolyproline II helixtrans-60.6124.9171-160000110.4
294D30.5Very low28.8Very low125 Ų125129.9 Ų129.967%0.66875%0.749SS**  trans-102114.2172.2-170.1-13.9000109.1P292 S296P292-D294 PolarHBondContact O-N 3.28Å; D294-S296 VanDerWaalsContact C-N 3.33Å; D294-S296 PolarHBondContact O-N 3.15Å; D294-S296 VanDerWaalsContact O-N 3.14Å; D294-S296 PolarHBondContact OD1-OG 3.09Å
295P28Very low28.7Very low130 Ų130121.3 Ų121.384%0.84474%0.738SS**  trans-85.975.8176.234.2-29.7000109.4
296S25.9Very low28.9Very low83 Ų83122.6 Ų122.658%0.5872%0.723SS**  trans-156.457.5172.358.70000113D294D294-S296 VanDerWaalsContact C-N 3.33Å; D294-S296 PolarHBondContact O-N 3.15Å; D294-S296 VanDerWaalsContact O-N 3.14Å; D294-S296 PolarHBondContact OD1-OG 3.09Å
297S29.2Very low28.8Very low120 Ų120120.2 Ų120.284%0.83972%0.716SS**  trans-115.687.4162.5-69.30000109.2M299S297-M299 PolarHBondContact O-N 2.77Å; S297-M299 VanDerWaalsContact O-N 3.14Å
298Q28.4Very low28.7Very low189 Ų189123.2 Ų123.288%0.88372%0.724SS**  trans-64.7106.6161.7-82.1178-2500107.5V300Q298-V300 PolarHBondContact O-N 3.37Å; Q298-V300 VanDerWaalsContact O-N 3.09Å
299M27Very low28.8Very low131 Ų131124.3 Ų124.365%0.64573%0.732SS**  trans-55.9110.5162.3-96.6-174.4-178.300107.8V205 S297 L301V205-M299 HydrophobicContact CG2-CE 4.38Å; S297-M299 PolarHBondContact O-N 2.77Å; S297-M299 VanDerWaalsContact O-N 3.14Å; M299-L301 PolarHBondContact O-N 3.4Å
300V26.7Very low28.9Very low113 Ų113121.3 Ų121.369%0.68573%0.732SS**  trans-79.1105162174.60000105.2Q298 M302Q298-V300 PolarHBondContact O-N 3.37Å; Q298-V300 VanDerWaalsContact O-N 3.09Å; V300-M302 PolarHBondContact O-N 3.44Å
301L27.2Very low29.2Very low151 Ų151121.6 Ų121.679%0.79174%0.736SS**  trans-53106.5166-102.4130.2000107.9M299 T303M299-L301 PolarHBondContact O-N 3.4Å; L301-T303 PolarHBondContact O-N 3.41Å
302M28.2Very low29.4Very low89 Ų89120 Ų12044%0.43873%0.732SS.*  trans-74.882.9169.4-67.4-72.9-74.200106.4F91 V300 S304F91-M302 HydrophobicContact CD1-CE 3.5Å; F91-M302 HydrophobicContact CE1-CE 3.09Å; F91-M302 HydrophobicContact CE1-SD 4.14Å; F91-M302 HydrophobicContact CG-CE 4.49Å; F91-M302 HydrophobicContact CZ-CE 3.74Å; F91-M302 HydrophobicContact CZ-SD 4.29Å; V300-M302 PolarHBondContact O-N 3.44Å; M302-S304 PolarHBondContact O-N 2.75Å
303T31Very low29.5Very low117 Ų117123.5 Ų123.572%0.71874%0.737SS**  trans-63.5107.9168.259.70000106.9L301 G305L301-T303 PolarHBondContact O-N 3.41Å; T303-G305 PolarHBondContact O-N 2.86Å
304S32.5Very low29.5Very low61 Ų61124.6 Ų124.643%0.42774%0.739SS.*  trans-60.489.7157.1410000106.4M302 L306M302-S304 PolarHBondContact O-N 2.75Å; S304-L306 PolarHBondContact O-N 3.09Å
305G29.2Very low29.6Very low66 Ų66127.4 Ų127.468%0.6875%0.749SS**  trans-7063.8174.400000111.4T303T303-G305 PolarHBondContact O-N 2.86Å
306L31.1Very low30Very low113 Ų113133.9 Ų133.959%0.59277%0.771SS**  trans-114.348.6163.8-69.3178.2000108.9S304S304-L306 PolarHBondContact O-N 3.09Å
307G28.4Very low30.3Very low61 Ų61136.5 Ų136.563%0.62978%0.78SS**SBendtrans-140.768.8172.600000108.5
308D27.6Very low30.3Very low167 Ų167137.3 Ų137.389%0.89378%0.777SS**SBendtrans165.5121.1151.5-84.3-25.6000109.4
309S30.1Very low30.4Very low121 Ų121134.4 Ų134.485%0.84677%0.771SS**SBendtrans8972.9167.9-139.70000118.1
310L31.1Very low30.6Very low171 Ų171134.6 Ų134.690%0.89578%0.779SS**SBendtrans-152.320.6153.7-115.9143.8000115.7
311L32.5Very low30.9Very low182 Ų182136 Ų13695%0.95379%0.785SS**SBendtrans-124.522.1175.4-76.1178.2000114.9
312A30.5Very low31.1Very low88 Ų88135 Ų13573%0.72778%0.784SS**SBendtrans-138.575.3174.500000110.8
313E31.6Very low31.3Very low196 Ų196138.3 Ų138.392%0.91681%0.809SS**SBendtrans-179.760.2155.6-102.6173.3-155.100110.9
314T33.3Very low31.3Very low143 Ų143139.9 Ų139.988%0.87782%0.816SS**SBendtrans-145.221.5165.136.40000114.6
315E32.8Very low31.2Very low184 Ų184146.5 Ų146.586%0.8685%0.848SS**  trans-138.487.7165.1-72-168.1154.100110.6
316M36.7Very low31.4Very low266 Ų266153.8 Ų153.8100%1.3186%0.863SS**  trans-179.80140.8-100.1-170.9-6800111

Retrieved 316 of 316 residues in 54.6 ms (Link to these results)

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