A0A077Z4J6_TRITR Loading...

GST C 2 and GST N 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4J6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 249 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
1M49.2Very low79.4Confident236 Ų236109.9 Ų109.9100%1.16360%0.599SS**  0105.80-110.1173.176.600106.6K3M1-K3 PolarHBondContact O-N 3.18Å
2E52Low81Confident192 Ų192100.8 Ų100.890%0.89755%0.549SS*.PPolyproline II helixtrans-61.4134.1166.2-81176.915200107.9
3K53.3Low82.4Confident188 Ų18893.3 Ų93.382%0.81751%0.508SS*.PPolyproline II helixtrans-61.7139.3171.2-74.6-178.9176.5179.20107.3M1 V5M1-K3 PolarHBondContact O-N 3.18Å; K3-V5 PolarHBondContact O-N 2.98Å
4P67.4Low83.5Confident123 Ų12386.9 Ų86.980%0.79947%0.473SS*.PPolyproline II helixtrans-53127.6172.1-19.930.2000108.8A6P4-A6 PolarHBondContact O-N 2.9Å
5V79.8Confident84.4Confident139 Ų13983.1 Ų83.184%0.84245%0.449SS*.PPolyproline II helixtrans-61.6127.7171.6-178.70000106.5K3K3-V5 PolarHBondContact O-N 2.98Å
6A88Confident85.2Confident80 Ų8078.7 Ų78.766%0.66143%0.428SS*.PPolyproline II helixtrans-60138.1176.800000108.7P4P4-A6 PolarHBondContact O-N 2.9Å
7P92.4Very high85.9Confident48 Ų4874.6 Ų74.631%0.31241%0.408SS..PPolyproline II helixtrans-62.4148.9178.928.8-36.2000109.9N46P7-N46 VanDerWaalsContact CG-ND2 3.32Å; P7-N46 WeakPolarHBondContact CG-ND2 3.34Å
8P96.5Very high86.3Confident53 Ų5373.4 Ų73.434%0.34441%0.41SS..PPolyproline II helixtrans-56.3148.4-179.9-25.336.2000112.4L10 N46 H74 F93P8-L10 HydrophobicContact CB-CD1 4.26Å; P8-N46 PolarHBondContact O-N 3.31Å; P8-H74 WeakPolarHBondContact CB-NE2 3.43Å; P8-F93 HydrophobicContact CB-CE1 4.18Å; P8-F93 HydrophobicContact CB-CZ 4.17Å; P8-F93 HydrophobicContact CG-CE1 3.94Å; P8-F93 HydrophobicContact CG-CZ 4.35Å
9L98Very high86.5Confident97 Ų9773.7 Ų73.751%0.50841%0.41SS..EExtended strand (participates in β ladder)trans-111.6119.9-178.2179.866.7000110.4N46L9-N46 WeakPolarHBondContact CA-O 3.47Å; L9-N46 HydrophobicContact CD1-CB 3.87Å
10L98.6Very high86.8Confident0 Ų072.2 Ų72.20%041%0.412CS..EExtended strand (participates in β ladder)trans-106.1161.3179.2-70.969.7000111.1P8 L36 L45 N46 F47 N48 L72 V73 H74 L89 F93P8-L10 HydrophobicContact CB-CD1 4.26Å; L10-L36 HydrophobicContact CD2-CD2 4.09Å; L10-L45 HydrophobicContact CD1-CB 4.06Å; L10-L45 HydrophobicContact CD1-CD2 4.5Å; L10-L45 HydrophobicContact CD2-CD2 4.31Å; L10-N46 PolarHBondContact N-O 2.98Å; L10-F47 HydrophobicContact CB-CB 4.02Å; L10-F47 CarbonylContact O-C 3.53Å; L10-F47 WeakPolarHBondContact O-CA 3.43Å; L10-F47 WeakPolarHBondContact O-CB 3.3Å; L10-N48 PolarHBondContact O-N 2.56Å; L10-L72 HydrophobicContact CB-CD1 4.29Å; L10-L72 HydrophobicContact CD2-CD1 3.96Å; L10-L72 HydrophobicContact CD2-CD2 4.02Å; L10-L72 HydrophobicContact CD2-CG 4.26Å; L10-V73 WeakPolarHBondContact CA-O 3.41Å; L10-H74 HydrophobicContact CD2-CB 4.29Å; L10-H74 HydrophobicContact CG-CB 3.84Å; L10-L89 HydrophobicContact CD2-CD2 3.81Å; L10-F93 HydrophobicContact CD1-CE2 4.22Å; L10-F93 HydrophobicContact CD1-CZ 3.86Å; L10-F93 HydrophobicContact CD2-CE2 3.98Å; L10-F93 HydrophobicContact CD2-CZ 4.45Å
11E98.4Very high87.1Confident53 Ų5373.8 Ų73.825%0.24842%0.423CS..EExtended strand (participates in β ladder)trans-116.6121.7168.5-49.6-167.2150.600110.2K50 L72 V73E11-K50 WeakPolarHBondContact OE1-CE 3.42Å; E11-K50 IonicContact OE1-NZ 3.47Å; E11-K50 PolarHBondContact OE1-NZ 3.39Å; E11-K50 WeakPolarHBondContact OE2-CE 3.19Å; E11-K50 IonicContact OE2-NZ 3.52Å; E11-K50 PolarHBondContact OE2-NZ 3.48Å; E11-L72 WeakPolarHBondContact O-CA 3.45Å; E11-V73 HydrophobicContact CB-CB 4.21Å; E11-V73 PolarHBondContact N-O 3.32Å; E11-V73 PolarHBondContact O-N 3.1Å
12L98.7Very high89.2Confident0 Ų065.4 Ų65.40%038%0.379CS..EExtended strand (participates in β ladder)trans-97.2120.5169.9177.565.7000109.4V14 I32 F33 L36 F47 N48 V49 K50 P70L12-V14 HydrophobicContact CD1-CG1 4.29Å; L12-V14 HydrophobicContact CD2-CG1 3.67Å; L12-V14 HydrophobicContact CG-CG1 3.72Å; L12-I32 HydrophobicContact CD1-CB 4.29Å; L12-I32 HydrophobicContact CD1-CG2 3.56Å; L12-F33 HydrophobicContact CD2-CB 3.63Å; L12-F33 HydrophobicContact CD2-CD1 4.41Å; L12-F33 HydrophobicContact CD2-CD2 3.95Å; L12-F33 HydrophobicContact CD2-CG 3.75Å; L12-L36 HydrophobicContact CB-CD1 3.67Å; L12-L36 HydrophobicContact CD1-CD1 3.88Å; L12-L36 HydrophobicContact CD2-CD1 3.9Å; L12-L36 HydrophobicContact CG-CD1 3.99Å; L12-F47 HydrophobicContact CB-CD2 4.07Å; L12-F47 HydrophobicContact CD2-CE2 4.29Å; L12-N48 PolarHBondContact N-O 3.3Å; L12-V49 HydrophobicContact CD2-CG2 4.33Å; L12-V49 CarbonylContact O-C 3.56Å; L12-V49 WeakPolarHBondContact O-CA 3.32Å; L12-K50 PolarHBondContact O-N 2.86Å; L12-P70 HydrophobicContact CD1-CB 4.33Å
13W98.4Very high91.4Very high4 Ų458 Ų582%0.01535%0.348CS..EExtended strand (participates in β ladder)trans-96.5123.2169-69.988.1000110.2K50 T52 V58 Q60 F61 L64 V69 P70 A71W13-K50 WeakPolarHBondContact CA-O 3.25Å; W13-K50 HydrophobicContact CD2-CB 3.7Å; W13-K50 HydrophobicContact CD2-CD 4.34Å; W13-K50 HydrophobicContact CE3-CB 3.54Å; W13-K50 HydrophobicContact CG-CB 4.44Å; W13-K50 HydrophobicContact CH2-CB 3.95Å; W13-K50 HydrophobicContact CH2-CD 3.65Å; W13-K50 HydrophobicContact CH2-CG 4.43Å; W13-K50 HydrophobicContact CZ2-CB 4.11Å; W13-K50 HydrophobicContact CZ2-CD 3.34Å; W13-K50 HydrophobicContact CZ2-CG 4.37Å; W13-K50 HydrophobicContact CZ3-CB 3.66Å; W13-K50 HydrophobicContact CZ3-CD 4.27Å; W13-T52 HydrophobicContact CE3-CG2 4.08Å; W13-V58 HydrophobicContact CH2-CG2 3.94Å; W13-V58 HydrophobicContact CZ3-CG2 3.64Å; W13-Q60 HydrophobicContact CH2-CB 3.8Å; W13-Q60 HydrophobicContact CZ2-CB 4.22Å; W13-F61 HydrophobicContact CB-CD2 4.02Å; W13-F61 HydrophobicContact CB-CE2 3.79Å; W13-F61 AromaticContact CD2-CD2 3.5Å; W13-F61 HydrophobicContact CD2-CD2 3.5Å; W13-F61 HydrophobicContact CD2-CE2 4.2Å; W13-F61 HydrophobicContact CD2-CG 4.49Å; W13-F61 HydrophobicContact CE3-CB 4.13Å; W13-F61 AromaticContact CE3-CD2 3.62Å; W13-F61 HydrophobicContact CE3-CD2 3.62Å; W13-F61 HydrophobicContact CE3-CE2 4.5Å; W13-F61 HydrophobicContact CE3-CG 4.28Å; W13-F61 AromaticContact CG-CD2 3.69Å; W13-F61 HydrophobicContact CG-CD2 3.69Å; W13-F61 AromaticContact CG-CE2 3.9Å; W13-F61 HydrophobicContact CG-CE2 3.9Å; W13-F61 HydrophobicContact CH2-CB 4.06Å; W13-F61 HydrophobicContact CZ2-CB 4.48Å; W13-F61 HydrophobicContact CZ3-CB 3.88Å; W13-F61 HydrophobicContact CZ3-CD2 4.24Å; W13-L64 HydrophobicContact CZ2-CD1 4.22Å; W13-V69 HydrophobicContact CB-CG1 4.34Å; W13-P70 CarbonylContact O-C 3.33Å; W13-P70 VanDerWaalsContact O-CA 3.25Å; W13-P70 WeakPolarHBondContact O-CA 3.47Å; W13-A71 HydrophobicContact CB-CB 4.17Å; W13-A71 PolarHBondContact N-O 3.49Å; W13-A71 PolarHBondContact O-N 3.44Å
14V98.4Very high93.5Very high3 Ų349.3 Ų49.32%0.01831%0.311CS..EExtended strand (participates in β ladder)trans-118.5163.1175.5-56.50000111.2L12 A16 C23 C29 V49 K50 T51 T52L12-V14 HydrophobicContact CD1-CG1 4.29Å; L12-V14 HydrophobicContact CD2-CG1 3.67Å; L12-V14 HydrophobicContact CG-CG1 3.72Å; V14-A16 PolarHBondContact O-N 3.26Å; V14-C23 HydrophobicContact CG2-CB 4.21Å; V14-C29 HydrophobicContact CB-CB 3.86Å; V14-C29 HydrophobicContact CG1-CB 3.89Å; V14-V49 HydrophobicContact CG1-CG1 4.36Å; V14-V49 HydrophobicContact CG2-CG1 3.88Å; V14-K50 PolarHBondContact N-O 3.03Å; V14-T51 HydrophobicContact CG2-CG2 3.73Å; V14-T51 WeakPolarHBondContact O-CA 3.44Å; V14-T52 PolarHBondContact O-N 2.64Å
15R97.5Very high94.9Very high31 Ų3143.5 Ų43.512%0.11727%0.274CS..EExtended strand (participates in β ladder)trans-57.5130.3171.8-178.8166.6176.3168.2-4.9109.4G24 C26 C29 T52 V69 H213 D216R15-G24 WeakPolarHBondContact O-CA 3.37Å; R15-G24 PolarHBondContact O-N 3.03Å; R15-C26 HydrophobicContact CB-CB 4.18Å; R15-C29 PolarHBondContact N-SG 3.04Å; R15-T52 CarbonylContact C-O 3.32Å; R15-T52 WeakPolarHBondContact CA-O 3.36Å; R15-V69 HydrophobicContact CB-CG2 3.92Å; R15-H213 PolarHBondContact NH1-CE1 2.86Å; R15-H213 PolarHBondContact NH1-ND1 2.74Å; R15-D216 IonicContact NH2-OD2 3.87Å
16A97.3Very high95.8Very high12 Ų1237.7 Ų37.710%0.09924%0.239CC..BIsolated β-bridgetrans-71143.1171.300000111V14 R22 T52V14-A16 PolarHBondContact O-N 3.26Å; A16-R22 CarbonylContact C-O 3.58Å; A16-T52 PolarHBondContact N-O 3.36Å
17G96Very high96.2Very high9 Ų934 Ų349%0.09321%0.209CC..  trans-71.6-178.4168.400000111.9D19 G20 R22 E209G17-D19 PolarHBondContact O-N 2.8Å; G17-D19 VanDerWaalsContact O-N 3.15Å; G17-G20 PolarHBondContact O-N 2.65Å; G17-R22 PolarHBondContact N-O 3.45Å; G17-E209 VanDerWaalsContact CA-CD 3.43Å; G17-E209 WeakPolarHBondContact CA-OE2 3.36Å
18A93.1Very high96.5Very high53 Ų5333.6 Ų33.644%0.43821%0.205SC..THydrogen-bonded Turntrans-64.5-20.6-174.700000114.4G20 E209 L212A18-G20 VanDerWaalsContact C-N 3.34Å; A18-E209 PolarHBondContact N-OE1 2.94Å; A18-E209 VanDerWaalsContact N-OE1 3.12Å; A18-E209 PolarHBondContact N-OE2 3.29Å; A18-L212 HydrophobicContact CB-CD1 3.86Å
19D91.6Very high96.6Very high79 Ų7931.3 Ų31.342%0.42219%0.19SC..THydrogen-bonded Turntrans-85.9-4.6173.862.17.1000113.8G17 V21 R22G17-D19 PolarHBondContact O-N 2.8Å; G17-D19 VanDerWaalsContact O-N 3.15Å; D19-V21 PolarHBondContact O-N 2.83Å; D19-V21 PolarHBondContact OD1-N 3.39Å; D19-R22 PolarHBondContact OD1-N 2.89Å; D19-R22 IonicContact OD1-NE 3.05Å; D19-R22 WeakPolarHBondContact OD2-CD 3.04Å; D19-R22 VanDerWaalsContact OD2-CG 3.25Å; D19-R22 WeakPolarHBondContact OD2-CG 3.37Å; D19-R22 IonicContact OD2-CZ 2.8Å; D19-R22 IonicContact OD2-NE 3.55Å; D19-R22 PolarHBondContact OD2-NE 2.9Å; D19-R22 IonicContact OD2-NH2 2.9Å
20G92.1Very high96.7Very high44 Ų4426.9 Ų26.945%0.45417%0.167SC..SBendtrans75.53.2-176.300000114.6G17 A18 T51G17-G20 PolarHBondContact O-N 2.65Å; A18-G20 VanDerWaalsContact C-N 3.34Å; G20-T51 PolarHBondContact O-OG1 3.2Å
21V92.4Very high96.7Very high106 Ų10627.8 Ų27.864%0.64217%0.171SC*.SBendtrans-121.9-49.6-173.3179.40000111.4D19 T51D19-V21 PolarHBondContact O-N 2.83Å; D19-V21 PolarHBondContact OD1-N 3.39Å; V21-T51 WeakPolarHBondContact O-CG2 3.34Å; V21-T51 PolarHBondContact O-OG1 2.88Å
22R94.4Very high96.7Very high60 Ų6025.3 Ų25.323%0.22616%0.159CC..SBendtrans-66.8159.9-179.4-73179.2-61.7178.26.1111.5A16 G17 D19 G24 E209A16-R22 CarbonylContact C-O 3.58Å; G17-R22 PolarHBondContact N-O 3.45Å; D19-R22 PolarHBondContact OD1-N 2.89Å; D19-R22 IonicContact OD1-NE 3.05Å; D19-R22 WeakPolarHBondContact OD2-CD 3.04Å; D19-R22 VanDerWaalsContact OD2-CG 3.25Å; D19-R22 WeakPolarHBondContact OD2-CG 3.37Å; D19-R22 IonicContact OD2-CZ 2.8Å; D19-R22 IonicContact OD2-NE 3.55Å; D19-R22 PolarHBondContact OD2-NE 2.9Å; D19-R22 IonicContact OD2-NH2 2.9Å; R22-G24 PolarHBondContact O-N 3.07Å; R22-E209 IonicContact CZ-OE1 2.98Å; R22-E209 VanDerWaalsContact CZ-OE1 3.27Å; R22-E209 IonicContact NE-OE1 2.76Å; R22-E209 PolarHBondContact NE-OE1 2.81Å; R22-E209 IonicContact NH2-OE1 3.78Å; R22-E209 PolarHBondContact NH2-OE1 3.42Å
23C97.2Very high96.7Very high37 Ų3726.3 Ų26.325%0.2516%0.164CC..BIsolated β-bridgetrans-65.5127166.3-59.80000109.5V14 P205V14-C23 HydrophobicContact CG2-CB 4.21Å; C23-P205 HydrophobicContact CB-CB 4.49Å; C23-P205 WeakPolarHBondContact O-CB 3.23Å
24G97Very high96.7Very high5 Ų526.1 Ų26.15%0.05216%0.163CC..PPolyproline II helixtrans-76.8166.1173.900000112.2R15 R22 C26R15-G24 WeakPolarHBondContact O-CA 3.37Å; R15-G24 PolarHBondContact O-N 3.03Å; R22-G24 PolarHBondContact O-N 3.07Å; G24-C26 PolarHBondContact O-N 3.43Å
25G97.2Very high96.8Very high1 Ų126 Ų261%0.0116%0.162CC..SBendtrans-69.517.6-173.500000118.3P27 N167 E209 H213G25-P27 VanDerWaalsContact O-CD 3.26Å; G25-P27 WeakPolarHBondContact O-CD 3.26Å; G25-N167 PolarHBondContact O-OD1 3.49Å; G25-E209 VanDerWaalsContact CA-O 3.29Å; G25-E209 WeakPolarHBondContact CA-O 3.12Å; G25-E209 PolarHBondContact N-O 3.4Å; G25-H213 PolarHBondContact O-CD2 3.22Å
26C97.7Very high96.8Very high16 Ų1624.5 Ų24.511%0.10816%0.157CC..  trans-72.7116.2-175.7-178.70000111.2R15 G24 V28 C29 Q30R15-C26 HydrophobicContact CB-CB 4.18Å; G24-C26 PolarHBondContact O-N 3.43Å; C26-V28 VanDerWaalsContact C-N 3.26Å; C26-V28 PolarHBondContact O-N 3.36Å; C26-C29 HydrophobicContact CB-CB 3.88Å; C26-C29 PolarHBondContact O-N 3.12Å; C26-C29 VanDerWaalsContact SG-SG 3.64Å; C26-Q30 PolarHBondContact O-N 2.99Å; C26-Q30 VanDerWaalsContact O-N 3.11Å
27P98.4Very high96.9Very high4 Ų424.2 Ų24.23%0.02615%0.154CC..Hα-helixtrans-67.1-26.9-178.424.2-32000113.1G25 Q30 Q31 F113 P163 K164G25-P27 VanDerWaalsContact O-CD 3.26Å; G25-P27 WeakPolarHBondContact O-CD 3.26Å; P27-Q30 PolarHBondContact O-N 3.38Å; P27-Q31 PolarHBondContact O-N 3.11Å; P27-F113 HydrophobicContact CG-CE1 4.48Å; P27-F113 HydrophobicContact CG-CE2 4.24Å; P27-F113 HydrophobicContact CG-CZ 3.68Å; P27-P163 HydrophobicContact CB-CB 3.92Å; P27-P163 WeakPolarHBondContact O-CB 3.23Å; P27-K164 HydrophobicContact CB-CG 4.05Å; P27-K164 HydrophobicContact CG-CG 4.48Å
28V98.4Very high97Very high39 Ų3924.9 Ų24.924%0.23616%0.156CC..Hα-helixtrans-73.6-36.2176.2-174.20000110.9C26 Q30 Q31 I32 P70 P82C26-V28 VanDerWaalsContact C-N 3.26Å; C26-V28 PolarHBondContact O-N 3.36Å; V28-Q30 VanDerWaalsContact C-N 3.34Å; V28-Q31 WeakPolarHBondContact O-CB 3.36Å; V28-Q31 PolarHBondContact O-N 3.37Å; V28-I32 PolarHBondContact O-N 2.9Å; V28-P70 HydrophobicContact CG1-CG 4Å; V28-P82 HydrophobicContact CG1-CB 3.89Å; V28-P82 HydrophobicContact CG1-CG 3.45Å; V28-P82 VanDerWaalsContact CG1-CG 3.45Å
29C98.8Very high97.3Very high4 Ų422.3 Ų22.33%0.02714%0.135CC..Hα-helixtrans-63-43.5171.3-66.50000111.5V14 R15 C26 Q31 I32 F33 P70V14-C29 HydrophobicContact CB-CB 3.86Å; V14-C29 HydrophobicContact CG1-CB 3.89Å; R15-C29 PolarHBondContact N-SG 3.04Å; C26-C29 HydrophobicContact CB-CB 3.88Å; C26-C29 PolarHBondContact O-N 3.12Å; C26-C29 VanDerWaalsContact SG-SG 3.64Å; C29-Q31 VanDerWaalsContact C-N 3.3Å; C29-Q31 PolarHBondContact O-N 3.35Å; C29-I32 PolarHBondContact O-N 3.22Å; C29-F33 WeakPolarHBondContact O-CB 3.4Å; C29-F33 PolarHBondContact O-N 2.89Å; C29-P70 HydrophobicContact CB-CB 4.46Å
30Q98.8Very high97.6Very high5 Ų519.9 Ų19.92%0.02312%0.124CC..Hα-helixtrans-61.6-38.9175.6-172.1-177.5-300111.6C26 P27 V28 I32 F33 M34 P163 F200 C204C26-Q30 PolarHBondContact O-N 2.99Å; C26-Q30 VanDerWaalsContact O-N 3.11Å; P27-Q30 PolarHBondContact O-N 3.38Å; V28-Q30 VanDerWaalsContact C-N 3.34Å; Q30-I32 PolarHBondContact O-N 3.04Å; Q30-F33 WeakPolarHBondContact O-CB 3.4Å; Q30-F33 PolarHBondContact O-N 3.47Å; Q30-M34 HydrophobicContact CG-CG 4.35Å; Q30-M34 HydrophobicContact CG-SD 4.33Å; Q30-M34 VanDerWaalsContact O-CG 3.31Å; Q30-M34 WeakPolarHBondContact O-CG 3.42Å; Q30-M34 PolarHBondContact O-N 3.47Å; Q30-P163 HydrophobicContact CB-CB 3.98Å; Q30-P163 HydrophobicContact CB-CG 4Å; Q30-P163 HydrophobicContact CG-CB 4.08Å; Q30-P163 HydrophobicContact CG-CG 3.74Å; Q30-P163 VanDerWaalsContact OE1-CB 3.32Å; Q30-F200 VanDerWaalsContact NE2-CE2 3.35Å; Q30-C204 VanDerWaalsContact NE2-CA 3.32Å; Q30-C204 VanDerWaalsContact NE2-CB 3.28Å
31Q98.8Very high97.9Very high19 Ų1922 Ų229%0.08912%0.124CC..Hα-helixtrans-54.8-54.4176170.6-179.6-10.500112.1P27 V28 C29 F33 M34 V35 C159 S160P27-Q31 PolarHBondContact O-N 3.11Å; V28-Q31 WeakPolarHBondContact O-CB 3.36Å; V28-Q31 PolarHBondContact O-N 3.37Å; C29-Q31 VanDerWaalsContact C-N 3.3Å; C29-Q31 PolarHBondContact O-N 3.35Å; Q31-F33 VanDerWaalsContact C-N 3.29Å; Q31-F33 PolarHBondContact O-N 3.13Å; Q31-M34 WeakPolarHBondContact O-CB 3.45Å; Q31-M34 PolarHBondContact O-N 3.14Å; Q31-V35 WeakPolarHBondContact O-CG2 3.44Å; Q31-V35 PolarHBondContact O-N 3.13Å; Q31-V35 VanDerWaalsContact O-N 3.12Å; Q31-C159 VanDerWaalsContact CA-O 3.23Å; Q31-C159 WeakPolarHBondContact CA-O 3.36Å; Q31-C159 VanDerWaalsContact CB-O 3.28Å; Q31-C159 WeakPolarHBondContact CB-O 3.09Å; Q31-C159 HydrophobicContact CG-CB 4.32Å; Q31-S160 PolarHBondContact OE1-OG 3.34Å
32I98.9Very high98.1Very high0 Ų019.6 Ų19.60%012%0.116CC..Hα-helixtrans-65.3-37.2179.9-60-53.2000111.1L12 V28 C29 Q30 M34 V35 L36 P70 P82 I85 I86L12-I32 HydrophobicContact CD1-CB 4.29Å; L12-I32 HydrophobicContact CD1-CG2 3.56Å; V28-I32 PolarHBondContact O-N 2.9Å; C29-I32 PolarHBondContact O-N 3.22Å; Q30-I32 PolarHBondContact O-N 3.04Å; I32-M34 VanDerWaalsContact C-N 3.33Å; I32-M34 PolarHBondContact O-N 3.49Å; I32-V35 PolarHBondContact O-N 3.16Å; I32-L36 HydrophobicContact CG2-CD1 4.26Å; I32-L36 PolarHBondContact O-N 3.18Å; I32-P70 HydrophobicContact CB-CB 4.12Å; I32-P70 HydrophobicContact CB-CG 4.2Å; I32-P70 HydrophobicContact CG1-CB 3.98Å; I32-P70 HydrophobicContact CG1-CG 3.53Å; I32-P82 HydrophobicContact CD1-CB 4.42Å; I32-I85 HydrophobicContact CD1-CB 4.29Å; I32-I85 HydrophobicContact CD1-CG2 3.94Å; I32-I85 HydrophobicContact CG1-CG2 4.34Å; I32-I85 HydrophobicContact CG2-CG2 3.66Å; I32-I86 HydrophobicContact CD1-CD1 3.99Å; I32-I86 HydrophobicContact CD1-CG1 3.72Å
33F98.9Very high98.3Very high22 Ų2219.1 Ų19.110%0.09613%0.129CC..Hα-helixtrans-61-42.7175.1-163.5176.1000111.5L12 C29 Q30 Q31 V35 L36 L37 F47 V49L12-F33 HydrophobicContact CD2-CB 3.63Å; L12-F33 HydrophobicContact CD2-CD1 4.41Å; L12-F33 HydrophobicContact CD2-CD2 3.95Å; L12-F33 HydrophobicContact CD2-CG 3.75Å; C29-F33 WeakPolarHBondContact O-CB 3.4Å; C29-F33 PolarHBondContact O-N 2.89Å; Q30-F33 WeakPolarHBondContact O-CB 3.4Å; Q30-F33 PolarHBondContact O-N 3.47Å; Q31-F33 VanDerWaalsContact C-N 3.29Å; Q31-F33 PolarHBondContact O-N 3.13Å; F33-V35 PolarHBondContact O-N 3.34Å; F33-L36 PolarHBondContact O-N 3.08Å; F33-L37 HydrophobicContact CD2-CD1 3.98Å; F33-L37 HydrophobicContact CD2-CD2 4.41Å; F33-L37 HydrophobicContact CD2-CG 3.84Å; F33-L37 HydrophobicContact CE2-CD1 3.95Å; F33-L37 HydrophobicContact CE2-CD2 3.92Å; F33-L37 HydrophobicContact CE2-CG 3.83Å; F33-L37 VanDerWaalsContact O-CG 3.3Å; F33-L37 WeakPolarHBondContact O-CG 3.37Å; F33-L37 PolarHBondContact O-N 3.04Å; F33-F47 AromaticContact CD2-CE2 3.55Å; F33-F47 HydrophobicContact CD2-CE2 3.55Å; F33-F47 AromaticContact CD2-CZ 3.64Å; F33-F47 HydrophobicContact CD2-CZ 3.64Å; F33-F47 AromaticContact CE2-CE2 3.47Å; F33-F47 HydrophobicContact CE2-CE2 3.47Å; F33-F47 VanDerWaalsContact CE2-CE2 3.47Å; F33-F47 AromaticContact CE2-CZ 3.49Å; F33-F47 HydrophobicContact CE2-CZ 3.49Å; F33-F47 VanDerWaalsContact CE2-CZ 3.49Å; F33-V49 HydrophobicContact CD2-CG2 4.22Å; F33-V49 HydrophobicContact CE1-CG1 4.46Å; F33-V49 HydrophobicContact CE1-CG2 4.09Å; F33-V49 HydrophobicContact CE2-CG2 3.62Å; F33-V49 HydrophobicContact CZ-CG2 3.56Å
34M98.9Very high98.3Very high0 Ų019.5 Ų19.50%013%0.13CC..Hα-helixtrans-60.6-44.5175.1-72.217965.200112Q30 Q31 I32 L36 L37 V38 L154 C159 L162 P163 V199 F200 S203Q30-M34 HydrophobicContact CG-CG 4.35Å; Q30-M34 HydrophobicContact CG-SD 4.33Å; Q30-M34 VanDerWaalsContact O-CG 3.31Å; Q30-M34 WeakPolarHBondContact O-CG 3.42Å; Q30-M34 PolarHBondContact O-N 3.47Å; Q31-M34 WeakPolarHBondContact O-CB 3.45Å; Q31-M34 PolarHBondContact O-N 3.14Å; I32-M34 VanDerWaalsContact C-N 3.33Å; I32-M34 PolarHBondContact O-N 3.49Å; M34-L36 PolarHBondContact O-N 2.94Å; M34-L37 PolarHBondContact O-N 3.32Å; M34-V38 WeakPolarHBondContact O-CG2 3.3Å; M34-V38 PolarHBondContact O-N 3.35Å; M34-L154 HydrophobicContact CE-CD1 4.29Å; M34-L154 HydrophobicContact CE-CD2 4.08Å; M34-C159 HydrophobicContact CB-CB 4.02Å; M34-C159 HydrophobicContact CE-CB 4.49Å; M34-L162 HydrophobicContact CE-CD1 4.28Å; M34-P163 HydrophobicContact SD-CG 3.66Å; M34-V199 HydrophobicContact CB-CG1 3.69Å; M34-V199 HydrophobicContact CE-CG1 4.11Å; M34-V199 HydrophobicContact CG-CG1 3.91Å; M34-V199 WeakPolarHBondContact O-CG1 3.46Å; M34-F200 HydrophobicContact CE-CB 4.01Å; M34-F200 HydrophobicContact CE-CD2 4.11Å; M34-F200 HydrophobicContact SD-CD2 3.93Å; M34-S203 WeakPolarHBondContact CG-OG 3.43Å
35V98.9Very high98.3Very high0 Ų019.3 Ų19.30%013%0.128CC..Hα-helixtrans-58.5-48.8177175.10000110.8Q31 I32 F33 L37 V38 K39 L89 L98 H156 C159Q31-V35 WeakPolarHBondContact O-CG2 3.44Å; Q31-V35 PolarHBondContact O-N 3.13Å; Q31-V35 VanDerWaalsContact O-N 3.12Å; I32-V35 PolarHBondContact O-N 3.16Å; F33-V35 PolarHBondContact O-N 3.34Å; V35-L37 VanDerWaalsContact C-N 3.34Å; V35-L37 PolarHBondContact O-N 2.83Å; V35-V38 PolarHBondContact O-N 2.8Å; V35-K39 WeakPolarHBondContact O-CG 3.3Å; V35-K39 PolarHBondContact O-N 2.66Å; V35-K39 VanDerWaalsContact O-N 3.12Å; V35-L89 HydrophobicContact CG1-CD1 3.8Å; V35-L98 HydrophobicContact CB-CD1 4.41Å; V35-L98 HydrophobicContact CG1-CD1 3.88Å; V35-L98 HydrophobicContact CG2-CD1 4.39Å; V35-H156 WeakPolarHBondContact CG2-ND1 3.39Å; V35-C159 HydrophobicContact CG2-CB 4.03Å
36L98.9Very high98.4Very high0 Ų022.6 Ų22.60%015%0.146CC..Hα-helixtrans-63.5-37.3178.2-76.2168.9000113L10 L12 I32 F33 M34 K39 C40 L45 F47 L72 L89L10-L36 HydrophobicContact CD2-CD2 4.09Å; L12-L36 HydrophobicContact CB-CD1 3.67Å; L12-L36 HydrophobicContact CD1-CD1 3.88Å; L12-L36 HydrophobicContact CD2-CD1 3.9Å; L12-L36 HydrophobicContact CG-CD1 3.99Å; I32-L36 HydrophobicContact CG2-CD1 4.26Å; I32-L36 PolarHBondContact O-N 3.18Å; F33-L36 PolarHBondContact O-N 3.08Å; M34-L36 PolarHBondContact O-N 2.94Å; L36-K39 PolarHBondContact O-N 2.95Å; L36-C40 WeakPolarHBondContact O-CB 2.98Å; L36-C40 PolarHBondContact O-N 2.99Å; L36-L45 HydrophobicContact CD2-CD1 4.06Å; L36-L45 HydrophobicContact CD2-CD2 4.07Å; L36-F47 HydrophobicContact CB-CD1 3.95Å; L36-F47 HydrophobicContact CB-CD2 4.2Å; L36-F47 HydrophobicContact CB-CE1 3.77Å; L36-F47 HydrophobicContact CB-CE2 3.99Å; L36-F47 HydrophobicContact CB-CG 4.16Å; L36-F47 HydrophobicContact CB-CZ 3.76Å; L36-F47 HydrophobicContact CD1-CD2 3.96Å; L36-F47 HydrophobicContact CD1-CE2 4.24Å; L36-F47 HydrophobicContact CD1-CG 4.28Å; L36-L72 HydrophobicContact CD1-CD1 3.87Å; L36-L72 HydrophobicContact CD2-CD1 4.17Å; L36-L89 HydrophobicContact CD2-CD1 4.03Å; L36-L89 HydrophobicContact CD2-CD2 3.78Å; L36-L89 HydrophobicContact CG-CD1 4.21Å
37L98.8Very high98.4Very high6 Ų623.1 Ų23.13%0.03115%0.146CC..Hα-helixtrans-62.1-43.7174.3-74.4172.7000111.6F33 M34 V35 K39 C40 D41 F47 V199 R202F33-L37 HydrophobicContact CD2-CD1 3.98Å; F33-L37 HydrophobicContact CD2-CD2 4.41Å; F33-L37 HydrophobicContact CD2-CG 3.84Å; F33-L37 HydrophobicContact CE2-CD1 3.95Å; F33-L37 HydrophobicContact CE2-CD2 3.92Å; F33-L37 HydrophobicContact CE2-CG 3.83Å; F33-L37 VanDerWaalsContact O-CG 3.3Å; F33-L37 WeakPolarHBondContact O-CG 3.37Å; F33-L37 PolarHBondContact O-N 3.04Å; M34-L37 PolarHBondContact O-N 3.32Å; V35-L37 VanDerWaalsContact C-N 3.34Å; V35-L37 PolarHBondContact O-N 2.83Å; L37-K39 PolarHBondContact O-N 3.4Å; L37-C40 PolarHBondContact O-N 2.89Å; L37-D41 WeakPolarHBondContact O-CB 3.22Å; L37-D41 PolarHBondContact O-N 3.41Å; L37-F47 HydrophobicContact CD2-CE1 4.13Å; L37-F47 HydrophobicContact CD2-CZ 3.76Å; L37-F47 HydrophobicContact CG-CE1 4.49Å; L37-F47 HydrophobicContact CG-CZ 3.96Å; L37-V199 HydrophobicContact CB-CG1 4.07Å; L37-V199 HydrophobicContact CB-CG2 4.29Å; L37-V199 HydrophobicContact CD1-CG1 4.45Å; L37-V199 VanDerWaalsContact CD1-O 3.28Å; L37-V199 WeakPolarHBondContact CD1-O 3.43Å; L37-R202 HydrophobicContact CD1-CB 3.84Å; L37-R202 VanDerWaalsContact CD2-NH2 3.3Å
38V98.7Very high98.4Very high22 Ų2226.9 Ų26.913%0.13317%0.166CC..Hα-helixtrans-59.9-48176.8174.70000111.2M34 V35 C40 D41 A42 P96 L98 L154 V199M34-V38 WeakPolarHBondContact O-CG2 3.3Å; M34-V38 PolarHBondContact O-N 3.35Å; V35-V38 PolarHBondContact O-N 2.8Å; V38-C40 VanDerWaalsContact C-N 3.34Å; V38-D41 PolarHBondContact O-N 3.2Å; V38-A42 PolarHBondContact O-N 3.14Å; V38-A42 VanDerWaalsContact O-N 3.14Å; V38-P96 HydrophobicContact CG1-CG 3.42Å; V38-P96 VanDerWaalsContact CG1-CG 3.42Å; V38-L98 HydrophobicContact CB-CD1 4.27Å; V38-L98 HydrophobicContact CB-CD2 4.49Å; V38-L98 HydrophobicContact CG1-CD1 4.25Å; V38-L98 HydrophobicContact CG1-CD2 3.98Å; V38-L98 HydrophobicContact CG1-CG 4.35Å; V38-L98 HydrophobicContact CG2-CD2 4.36Å; V38-L154 HydrophobicContact CG2-CD2 3.78Å; V38-V199 HydrophobicContact CG2-CB 4.49Å; V38-V199 HydrophobicContact CG2-CG1 3.92Å; V38-V199 HydrophobicContact CG2-CG2 3.89Å
39K98.5Very high98.4Very high0 Ų027.6 Ų27.60%017%0.17CC..Hα-helixtrans-66.2-37.5179.2-58-69.9-172.9176.70111.2V35 L36 L37 A42 G43 V44 L45 D90 F93 P94 E95 P96V35-K39 WeakPolarHBondContact O-CG 3.3Å; V35-K39 PolarHBondContact O-N 2.66Å; V35-K39 VanDerWaalsContact O-N 3.12Å; L36-K39 PolarHBondContact O-N 2.95Å; L37-K39 PolarHBondContact O-N 3.4Å; K39-A42 PolarHBondContact O-N 3.29Å; K39-G43 PolarHBondContact O-N 3.18Å; K39-V44 HydrophobicContact CB-CG2 3.82Å; K39-V44 HydrophobicContact CD-CG2 4.38Å; K39-V44 WeakPolarHBondContact O-CG2 3.49Å; K39-V44 PolarHBondContact O-N 3.14Å; K39-L45 HydrophobicContact CB-CD1 4.4Å; K39-L45 HydrophobicContact CB-CD2 3.59Å; K39-L45 HydrophobicContact CB-CG 3.83Å; K39-L45 HydrophobicContact CG-CD2 4.32Å; K39-D90 IonicContact NZ-OD1 3.56Å; K39-F93 HydrophobicContact CD-CB 4.33Å; K39-F93 VanDerWaalsContact CE-O 3.31Å; K39-F93 WeakPolarHBondContact CE-O 3.05Å; K39-F93 PolarHBondContact NZ-O 2.9Å; K39-P94 PolarHBondContact NZ-O 3.47Å; K39-E95 WeakPolarHBondContact CD-O 3.22Å; K39-P96 PolarHBondContact NZ-O 2.85Å
40C98.4Very high98.4Very high28 Ų2829.9 Ų29.919%0.18918%0.18CC..Hα-helixtrans-65.6-44.3176.2-174.30000112.6L36 L37 V38 A42 G43 L45 F47L36-C40 WeakPolarHBondContact O-CB 2.98Å; L36-C40 PolarHBondContact O-N 2.99Å; L37-C40 PolarHBondContact O-N 2.89Å; V38-C40 VanDerWaalsContact C-N 3.34Å; C40-A42 PolarHBondContact O-N 3.04Å; C40-G43 WeakPolarHBondContact O-CA 3.44Å; C40-G43 PolarHBondContact O-N 3.12Å; C40-L45 WeakPolarHBondContact CA-O 3.02Å; C40-L45 HydrophobicContact CB-CD1 4.08Å; C40-F47 HydrophobicContact CB-CD1 3.98Å; C40-F47 HydrophobicContact CB-CE1 3.74Å
41D98Very high98.4Very high88 Ų8830.9 Ų30.947%0.47119%0.186SC..Hα-helixtrans-67.6-26.1179.2-68-12.6000111.6L37 V38 G43 R202L37-D41 WeakPolarHBondContact O-CB 3.22Å; L37-D41 PolarHBondContact O-N 3.41Å; V38-D41 PolarHBondContact O-N 3.2Å; D41-G43 VanDerWaalsContact C-N 3.26Å; D41-R202 VanDerWaalsContact CG-NH1 3.3Å; D41-R202 IonicContact OD1-CZ 3.58Å; D41-R202 IonicContact OD1-NH1 3.82Å; D41-R202 PolarHBondContact OD1-NH1 3.23Å; D41-R202 IonicContact OD1-NH2 3.27Å; D41-R202 PolarHBondContact OD1-NH2 2.02Å; D41-R202 IonicContact OD2-CZ 3.3Å; D41-R202 IonicContact OD2-NH1 3.57Å; D41-R202 PolarHBondContact OD2-NH1 2.77Å
42A97.3Very high98.3Very high56 Ų5630 Ų3046%0.46318%0.182SC..THydrogen-bonded Turntrans-77.9-6.6169.900000114V38 K39 C40 V44 P96V38-A42 PolarHBondContact O-N 3.14Å; V38-A42 VanDerWaalsContact O-N 3.14Å; K39-A42 PolarHBondContact O-N 3.29Å; C40-A42 PolarHBondContact O-N 3.04Å; A42-V44 VanDerWaalsContact C-N 3.33Å; A42-V44 PolarHBondContact O-N 3.04Å; A42-P96 VanDerWaalsContact CB-CD 3.44Å; A42-P96 HydrophobicContact CB-CG 4.23Å
43G97.1Very high98.1Very high49 Ų4933.4 Ų33.451%0.50520%0.2SC..THydrogen-bonded Turntrans76.511.8176.600000115.3K39 C40 D41K39-G43 PolarHBondContact O-N 3.18Å; C40-G43 WeakPolarHBondContact O-CA 3.44Å; C40-G43 PolarHBondContact O-N 3.12Å; D41-G43 VanDerWaalsContact C-N 3.26Å
44V97.7Very high97.5Very high46 Ų4634 Ų3428%0.27921%0.207SC..SBendtrans-83.8-18.7-179.1-59.80000113.3K39 A42 F93 E95K39-V44 HydrophobicContact CB-CG2 3.82Å; K39-V44 HydrophobicContact CD-CG2 4.38Å; K39-V44 WeakPolarHBondContact O-CG2 3.49Å; K39-V44 PolarHBondContact O-N 3.14Å; A42-V44 VanDerWaalsContact C-N 3.33Å; A42-V44 PolarHBondContact O-N 3.04Å; V44-F93 HydrophobicContact CB-CD1 4.41Å; V44-F93 HydrophobicContact CG2-CB 4.09Å; V44-F93 HydrophobicContact CG2-CD1 4.31Å; V44-E95 VanDerWaalsContact CG2-O 3.31Å; V44-E95 WeakPolarHBondContact CG2-O 3.36Å
45L98.2Very high97Very high0 Ų042.3 Ų42.30%024%0.239CC..  trans-151.3165.4175.664.581.7000111L10 L36 K39 C40 F47 L89 F93L10-L45 HydrophobicContact CD1-CB 4.06Å; L10-L45 HydrophobicContact CD1-CD2 4.5Å; L10-L45 HydrophobicContact CD2-CD2 4.31Å; L36-L45 HydrophobicContact CD2-CD1 4.06Å; L36-L45 HydrophobicContact CD2-CD2 4.07Å; K39-L45 HydrophobicContact CB-CD1 4.4Å; K39-L45 HydrophobicContact CB-CD2 3.59Å; K39-L45 HydrophobicContact CB-CG 3.83Å; K39-L45 HydrophobicContact CG-CD2 4.32Å; C40-L45 WeakPolarHBondContact CA-O 3.02Å; C40-L45 HydrophobicContact CB-CD1 4.08Å; L45-F47 HydrophobicContact CD1-CB 4.45Å; L45-F47 HydrophobicContact CD1-CD1 3.95Å; L45-L89 HydrophobicContact CD2-CD2 4.28Å; L45-F93 HydrophobicContact CB-CD1 4.09Å; L45-F93 HydrophobicContact CB-CE1 3.84Å; L45-F93 HydrophobicContact CB-CZ 4.19Å; L45-F93 HydrophobicContact CD2-CB 4.39Å; L45-F93 HydrophobicContact CD2-CD1 4.09Å; L45-F93 HydrophobicContact CD2-CD2 3.75Å; L45-F93 HydrophobicContact CD2-CE1 4.3Å; L45-F93 HydrophobicContact CD2-CE2 4Å; L45-F93 HydrophobicContact CD2-CG 3.81Å; L45-F93 HydrophobicContact CD2-CZ 4.26Å
46N98.3Very high96.7Very high71 Ų7150.5 Ų50.538%0.3828%0.275SS..EExtended strand (participates in β ladder)trans-119.3161.1161.2-78.3-40.4000108.8P7 P8 L9 L10P7-N46 VanDerWaalsContact CG-ND2 3.32Å; P7-N46 WeakPolarHBondContact CG-ND2 3.34Å; P8-N46 PolarHBondContact O-N 3.31Å; L9-N46 WeakPolarHBondContact CA-O 3.47Å; L9-N46 HydrophobicContact CD1-CB 3.87Å; L10-N46 PolarHBondContact N-O 2.98Å
47F98.6Very high96.4Very high27 Ų2753.2 Ų53.212%0.11829%0.292CS..EExtended strand (participates in β ladder)trans-152.7155172.470.8-74000113.3L10 L12 F33 L36 L37 C40 L45 V49L10-F47 HydrophobicContact CB-CB 4.02Å; L10-F47 CarbonylContact O-C 3.53Å; L10-F47 WeakPolarHBondContact O-CA 3.43Å; L10-F47 WeakPolarHBondContact O-CB 3.3Å; L12-F47 HydrophobicContact CB-CD2 4.07Å; L12-F47 HydrophobicContact CD2-CE2 4.29Å; F33-F47 AromaticContact CD2-CE2 3.55Å; F33-F47 HydrophobicContact CD2-CE2 3.55Å; F33-F47 AromaticContact CD2-CZ 3.64Å; F33-F47 HydrophobicContact CD2-CZ 3.64Å; F33-F47 AromaticContact CE2-CE2 3.47Å; F33-F47 HydrophobicContact CE2-CE2 3.47Å; F33-F47 VanDerWaalsContact CE2-CE2 3.47Å; F33-F47 AromaticContact CE2-CZ 3.49Å; F33-F47 HydrophobicContact CE2-CZ 3.49Å; F33-F47 VanDerWaalsContact CE2-CZ 3.49Å; L36-F47 HydrophobicContact CB-CD1 3.95Å; L36-F47 HydrophobicContact CB-CD2 4.2Å; L36-F47 HydrophobicContact CB-CE1 3.77Å; L36-F47 HydrophobicContact CB-CE2 3.99Å; L36-F47 HydrophobicContact CB-CG 4.16Å; L36-F47 HydrophobicContact CB-CZ 3.76Å; L36-F47 HydrophobicContact CD1-CD2 3.96Å; L36-F47 HydrophobicContact CD1-CE2 4.24Å; L36-F47 HydrophobicContact CD1-CG 4.28Å; L37-F47 HydrophobicContact CD2-CE1 4.13Å; L37-F47 HydrophobicContact CD2-CZ 3.76Å; L37-F47 HydrophobicContact CG-CE1 4.49Å; L37-F47 HydrophobicContact CG-CZ 3.96Å; C40-F47 HydrophobicContact CB-CD1 3.98Å; C40-F47 HydrophobicContact CB-CE1 3.74Å; L45-F47 HydrophobicContact CD1-CB 4.45Å; L45-F47 HydrophobicContact CD1-CD1 3.95Å; F47-V49 HydrophobicContact CD2-CG2 3.94Å; F47-V49 HydrophobicContact CE2-CG2 3.52Å
48N98.4Very high96.2Very high83 Ų8355.9 Ų55.944%0.44431%0.309SS..EExtended strand (participates in β ladder)trans-105.8141.1169.1-69.5-46.1000110.1L10 L12L10-N48 PolarHBondContact O-N 2.56Å; L12-N48 PolarHBondContact N-O 3.3Å
49V98.4Very high96.1Very high54 Ų5462.6 Ų62.633%0.32734%0.339SS..EExtended strand (participates in β ladder)trans-97.4124.6172.2-175.20000109.4L12 V14 F33 F47L12-V49 HydrophobicContact CD2-CG2 4.33Å; L12-V49 CarbonylContact O-C 3.56Å; L12-V49 WeakPolarHBondContact O-CA 3.32Å; V14-V49 HydrophobicContact CG1-CG1 4.36Å; V14-V49 HydrophobicContact CG2-CG1 3.88Å; F33-V49 HydrophobicContact CD2-CG2 4.22Å; F33-V49 HydrophobicContact CE1-CG1 4.46Å; F33-V49 HydrophobicContact CE1-CG2 4.09Å; F33-V49 HydrophobicContact CE2-CG2 3.62Å; F33-V49 HydrophobicContact CZ-CG2 3.56Å; F47-V49 HydrophobicContact CD2-CG2 3.94Å; F47-V49 HydrophobicContact CE2-CG2 3.52Å
50K98Very high95.9Very high52 Ų5268.5 Ų68.523%0.22637%0.366CS..EExtended strand (participates in β ladder)trans-117.8152.6173-64.2-177.4-178.41740109.4E11 L12 W13 V14E11-K50 WeakPolarHBondContact OE1-CE 3.42Å; E11-K50 IonicContact OE1-NZ 3.47Å; E11-K50 PolarHBondContact OE1-NZ 3.39Å; E11-K50 WeakPolarHBondContact OE2-CE 3.19Å; E11-K50 IonicContact OE2-NZ 3.52Å; E11-K50 PolarHBondContact OE2-NZ 3.48Å; L12-K50 PolarHBondContact O-N 2.86Å; W13-K50 WeakPolarHBondContact CA-O 3.25Å; W13-K50 HydrophobicContact CD2-CB 3.7Å; W13-K50 HydrophobicContact CD2-CD 4.34Å; W13-K50 HydrophobicContact CE3-CB 3.54Å; W13-K50 HydrophobicContact CG-CB 4.44Å; W13-K50 HydrophobicContact CH2-CB 3.95Å; W13-K50 HydrophobicContact CH2-CD 3.65Å; W13-K50 HydrophobicContact CH2-CG 4.43Å; W13-K50 HydrophobicContact CZ2-CB 4.11Å; W13-K50 HydrophobicContact CZ2-CD 3.34Å; W13-K50 HydrophobicContact CZ2-CG 4.37Å; W13-K50 HydrophobicContact CZ3-CB 3.66Å; W13-K50 HydrophobicContact CZ3-CD 4.27Å; V14-K50 PolarHBondContact N-O 3.03Å
51T98.1Very high95.8Very high26 Ų2667.2 Ų67.216%0.1636%0.357CS..EExtended strand (participates in β ladder)trans-120.4143.3-177.859.10000110.9V14 G20 V21V14-T51 HydrophobicContact CG2-CG2 3.73Å; V14-T51 WeakPolarHBondContact O-CA 3.44Å; G20-T51 PolarHBondContact O-OG1 3.2Å; V21-T51 WeakPolarHBondContact O-CG2 3.34Å; V21-T51 PolarHBondContact O-OG1 2.88Å
52T97.2Very high95.6Very high1 Ų165.8 Ų65.81%0.00636%0.358CS..EExtended strand (participates in β ladder)trans-148.1149.3175.8-170.70000110.4W13 V14 R15 A16 P54 P57 V58 F61 V69W13-T52 HydrophobicContact CE3-CG2 4.08Å; V14-T52 PolarHBondContact O-N 2.64Å; R15-T52 CarbonylContact C-O 3.32Å; R15-T52 WeakPolarHBondContact CA-O 3.36Å; A16-T52 PolarHBondContact N-O 3.36Å; T52-P54 WeakPolarHBondContact O-CD 3.42Å; T52-P57 WeakPolarHBondContact OG1-CA 3.21Å; T52-V58 PolarHBondContact OG1-N 2.92Å; T52-F61 HydrophobicContact CG2-CB 4.31Å; T52-F61 HydrophobicContact CG2-CD1 4.08Å; T52-F61 HydrophobicContact CG2-CD2 3.76Å; T52-F61 HydrophobicContact CG2-CE1 4.31Å; T52-F61 HydrophobicContact CG2-CE2 4.01Å; T52-F61 HydrophobicContact CG2-CG 3.77Å; T52-F61 HydrophobicContact CG2-CZ 4.27Å; T52-V69 HydrophobicContact CG2-CG1 3.61Å
53N94.1Very high95.5Very high70 Ų7068.4 Ų68.437%0.37437%0.368SS..BIsolated β-bridgetrans-88.4115.3168.2-178.3-18.1000108.2Y55 K56 P57N53-Y55 PolarHBondContact O-N 2.86Å; N53-Y55 VanDerWaalsContact O-N 3.1Å; N53-Y55 WeakPolarHBondContact OD1-CB 3.21Å; N53-Y55 WeakPolarHBondContact OD1-CD2 3.36Å; N53-Y55 PolarHBondContact OD1-N 2.83Å; N53-K56 CarbonylContact O-C 3.59Å; N53-K56 PolarHBondContact O-N 3.38Å; N53-K56 VanDerWaalsContact O-O 3.12Å; N53-P57 WeakPolarHBondContact O-CA 3.17Å
54P86.7Confident95.4Very high36 Ų3668.2 Ų68.223%0.23436%0.355CS..THydrogen-bonded Turntrans-62.7-21.9-17825.5-34.6000113.5T52 V69T52-P54 WeakPolarHBondContact O-CD 3.42Å; P54-V69 HydrophobicContact CB-CG2 4.34Å; P54-V69 HydrophobicContact CG-CG2 4.13Å
55Y88Confident95.1Very high174 Ų17469 Ų6968%0.68237%0.372SS*.THydrogen-bonded Turntrans-84.6-17.4175.4-54.3-69.6000113.4N53N53-Y55 PolarHBondContact O-N 2.86Å; N53-Y55 VanDerWaalsContact O-N 3.1Å; N53-Y55 WeakPolarHBondContact OD1-CB 3.21Å; N53-Y55 WeakPolarHBondContact OD1-CD2 3.36Å; N53-Y55 PolarHBondContact OD1-N 2.83Å
56K92.5Very high94.9Very high171 Ų17169.9 Ų69.974%0.74338%0.377SS*.BIsolated β-bridgetrans-147.475.1174.4-171-178.3179.8-1790109N53N53-K56 CarbonylContact O-C 3.59Å; N53-K56 PolarHBondContact O-N 3.38Å; N53-K56 VanDerWaalsContact O-O 3.12Å
57P94.4Very high94.6Very high57 Ų5774.8 Ų74.837%0.3739%0.39SS..  trans-63.9147.8-171.6-23.234.2000112.4T52 N53 F61 A62T52-P57 WeakPolarHBondContact OG1-CA 3.21Å; N53-P57 WeakPolarHBondContact O-CA 3.17Å; P57-F61 HydrophobicContact CB-CB 4.42Å; P57-F61 HydrophobicContact CB-CD1 3.81Å; P57-F61 HydrophobicContact CG-CD1 4.4Å; P57-A62 HydrophobicContact CB-CB 4.45Å
58V94.6Very high94.5Very high63 Ų6377.8 Ų77.838%0.38240%0.404SS..  trans-67.4151.7167.3-60.60000109.8W13 T52 Q60 F61 A62W13-V58 HydrophobicContact CH2-CG2 3.94Å; W13-V58 HydrophobicContact CZ3-CG2 3.64Å; T52-V58 PolarHBondContact OG1-N 2.92Å; V58-Q60 VanDerWaalsContact C-N 3.27Å; V58-Q60 HydrophobicContact CG2-CB 4.49Å; V58-Q60 PolarHBondContact O-N 2.97Å; V58-F61 HydrophobicContact CG2-CB 3.92Å; V58-F61 WeakPolarHBondContact O-CB 3.02Å; V58-F61 PolarHBondContact O-N 2.98Å; V58-A62 PolarHBondContact O-N 3.26Å
59E95.2Very high94.4Very high163 Ų16375 Ų7576%0.76239%0.39SS*.Hα-helixtrans-53.2-44.4-176-175.3177-172.900112.3F61 A62 V63E59-F61 PolarHBondContact O-N 2.87Å; E59-A62 PolarHBondContact O-N 3.21Å; E59-A62 VanDerWaalsContact O-N 3.14Å; E59-V63 WeakPolarHBondContact O-CG1 3.32Å; E59-V63 PolarHBondContact O-N 3.05Å; E59-V63 VanDerWaalsContact O-N 3.1Å
60Q94.5Very high94.4Very high123 Ų12372.5 Ų72.558%0.57538%0.375SS*.Hα-helixtrans-58.4-31.4177.4-68.5-179.422.100113.6W13 V58 V63 L64W13-Q60 HydrophobicContact CH2-CB 3.8Å; W13-Q60 HydrophobicContact CZ2-CB 4.22Å; V58-Q60 VanDerWaalsContact C-N 3.27Å; V58-Q60 HydrophobicContact CG2-CB 4.49Å; V58-Q60 PolarHBondContact O-N 2.97Å; Q60-V63 WeakPolarHBondContact O-CG2 3.48Å; Q60-L64 WeakPolarHBondContact O-CG 3.37Å
61F96Very high94.5Very high1 Ų170 Ų700%0.00436%0.364CS..Hα-helixtrans-82.4-40.9176.1-174-93.3000111.2W13 T52 P57 V58 E59 V63 L64 L66 H68 V69 A71W13-F61 HydrophobicContact CB-CD2 4.02Å; W13-F61 HydrophobicContact CB-CE2 3.79Å; W13-F61 AromaticContact CD2-CD2 3.5Å; W13-F61 HydrophobicContact CD2-CD2 3.5Å; W13-F61 HydrophobicContact CD2-CE2 4.2Å; W13-F61 HydrophobicContact CD2-CG 4.49Å; W13-F61 HydrophobicContact CE3-CB 4.13Å; W13-F61 AromaticContact CE3-CD2 3.62Å; W13-F61 HydrophobicContact CE3-CD2 3.62Å; W13-F61 HydrophobicContact CE3-CE2 4.5Å; W13-F61 HydrophobicContact CE3-CG 4.28Å; W13-F61 AromaticContact CG-CD2 3.69Å; W13-F61 HydrophobicContact CG-CD2 3.69Å; W13-F61 AromaticContact CG-CE2 3.9Å; W13-F61 HydrophobicContact CG-CE2 3.9Å; W13-F61 HydrophobicContact CH2-CB 4.06Å; W13-F61 HydrophobicContact CZ2-CB 4.48Å; W13-F61 HydrophobicContact CZ3-CB 3.88Å; W13-F61 HydrophobicContact CZ3-CD2 4.24Å; T52-F61 HydrophobicContact CG2-CB 4.31Å; T52-F61 HydrophobicContact CG2-CD1 4.08Å; T52-F61 HydrophobicContact CG2-CD2 3.76Å; T52-F61 HydrophobicContact CG2-CE1 4.31Å; T52-F61 HydrophobicContact CG2-CE2 4.01Å; T52-F61 HydrophobicContact CG2-CG 3.77Å; T52-F61 HydrophobicContact CG2-CZ 4.27Å; P57-F61 HydrophobicContact CB-CB 4.42Å; P57-F61 HydrophobicContact CB-CD1 3.81Å; P57-F61 HydrophobicContact CG-CD1 4.4Å; V58-F61 HydrophobicContact CG2-CB 3.92Å; V58-F61 WeakPolarHBondContact O-CB 3.02Å; V58-F61 PolarHBondContact O-N 2.98Å; E59-F61 PolarHBondContact O-N 2.87Å; F61-V63 VanDerWaalsContact C-N 3.27Å; F61-V63 PolarHBondContact O-N 3.38Å; F61-L64 WeakPolarHBondContact O-CB 3.44Å; F61-L64 PolarHBondContact O-N 3.48Å; F61-L64 VanDerWaalsContact O-N 3.13Å; F61-L66 HydrophobicContact CE1-CB 4.02Å; F61-L66 WeakPolarHBondContact CE1-O 3.46Å; F61-L66 HydrophobicContact CE2-CB 3.99Å; F61-L66 HydrophobicContact CE2-CD1 4.09Å; F61-L66 HydrophobicContact CZ-CB 3.58Å; F61-H68 WeakPolarHBondContact CZ-O 3.42Å; F61-V69 HydrophobicContact CE2-CG1 3.99Å; F61-V69 HydrophobicContact CZ-CG1 3.93Å; F61-A71 HydrophobicContact CE2-CB 4.06Å; F61-A71 HydrophobicContact CZ-CB 4.46Å
62A94.2Very high94.5Very high59 Ų5968.8 Ų68.849%0.48836%0.357SS..Hα-helixtrans-60.7-35.6-178.300000112.8P57 V58 E59 L64 G65P57-A62 HydrophobicContact CB-CB 4.45Å; V58-A62 PolarHBondContact O-N 3.26Å; E59-A62 PolarHBondContact O-N 3.21Å; E59-A62 VanDerWaalsContact O-N 3.14Å; A62-L64 VanDerWaalsContact C-N 3.27Å; A62-L64 PolarHBondContact O-N 3.18Å; A62-G65 PolarHBondContact O-N 3.28Å
63V95.3Very high94.6Very high111 Ų11169.3 Ų69.367%0.67336%0.36SS*.THydrogen-bonded Turntrans-72.1-17.2179.1-61.90000113.9E59 Q60 F61 G65E59-V63 WeakPolarHBondContact O-CG1 3.32Å; E59-V63 PolarHBondContact O-N 3.05Å; E59-V63 VanDerWaalsContact O-N 3.1Å; Q60-V63 WeakPolarHBondContact O-CG2 3.48Å; F61-V63 VanDerWaalsContact C-N 3.27Å; F61-V63 PolarHBondContact O-N 3.38Å; V63-G65 PolarHBondContact O-N 2.93Å
64L94.9Very high94.7Very high45 Ų4566.9 Ų66.924%0.23635%0.347CS..THydrogen-bonded Turntrans-75.6-12.4177.3-61.4170.8000112.6W13 Q60 F61 A62 L66 V73 M78W13-L64 HydrophobicContact CZ2-CD1 4.22Å; Q60-L64 WeakPolarHBondContact O-CG 3.37Å; F61-L64 WeakPolarHBondContact O-CB 3.44Å; F61-L64 PolarHBondContact O-N 3.48Å; F61-L64 VanDerWaalsContact O-N 3.13Å; A62-L64 VanDerWaalsContact C-N 3.27Å; A62-L64 PolarHBondContact O-N 3.18Å; L64-L66 HydrophobicContact CB-CB 4.49Å; L64-L66 HydrophobicContact CB-CD1 3.76Å; L64-L66 HydrophobicContact CB-CG 3.97Å; L64-L66 HydrophobicContact CD1-CD1 3.82Å; L64-L66 HydrophobicContact CG-CD1 4.42Å; L64-L66 PolarHBondContact O-N 3.27Å; L64-V73 HydrophobicContact CD1-CG2 3.9Å; L64-M78 HydrophobicContact CB-SD 3.97Å; L64-M78 HydrophobicContact CD2-SD 3.88Å
65G92Very high95.1Very high61 Ų6171.5 Ų71.563%0.62937%0.369SS*.THydrogen-bonded Turntrans72.25.1-175.600000114.5A62 V63A62-G65 PolarHBondContact O-N 3.28Å; V63-G65 PolarHBondContact O-N 2.93Å
66L93.5Very high95.4Very high20 Ų2070.4 Ų70.411%0.10538%0.375CS..  trans-73.4146.3175.7-63.7163.9000110.8F61 L64 A71 V73 M78 D80F61-L66 HydrophobicContact CE1-CB 4.02Å; F61-L66 WeakPolarHBondContact CE1-O 3.46Å; F61-L66 HydrophobicContact CE2-CB 3.99Å; F61-L66 HydrophobicContact CE2-CD1 4.09Å; F61-L66 HydrophobicContact CZ-CB 3.58Å; L64-L66 HydrophobicContact CB-CB 4.49Å; L64-L66 HydrophobicContact CB-CD1 3.76Å; L64-L66 HydrophobicContact CB-CG 3.97Å; L64-L66 HydrophobicContact CD1-CD1 3.82Å; L64-L66 HydrophobicContact CG-CD1 4.42Å; L64-L66 PolarHBondContact O-N 3.27Å; L66-A71 HydrophobicContact CD1-CB 3.8Å; L66-A71 HydrophobicContact CD2-CB 4.41Å; L66-V73 HydrophobicContact CD1-CG2 4.15Å; L66-M78 HydrophobicContact CD2-CB 4.04Å; L66-D80 HydrophobicContact CB-CB 4.43Å; L66-D80 HydrophobicContact CD2-CB 3.73Å
67R92.2Very high95.7Very high173 Ų17366.9 Ų66.965%0.65336%0.362SS*.  trans-112.6-27.4-175.4-62.4-177.4-66.8179.50.5112.6D80R67-D80 PolarHBondContact N-OD2 2.99Å
68H95.9Very high95.8Very high90 Ų9068.3 Ų68.342%0.41737%0.365SS..SBendtrans-126.8160.8-170.5-59.8-39.1000112.7F61 D80 E81F61-H68 WeakPolarHBondContact CZ-O 3.42Å; H68-D80 HydrophobicContact CB-CB 4.17Å; H68-D80 PolarHBondContact N-OD2 3.14Å; H68-D80 VanDerWaalsContact N-OD2 3.08Å; H68-D80 WeakPolarHBondContact O-CB 3.48Å; H68-E81 IonicContact CD2-OE1 3.87Å
69V97.7Very high96Very high24 Ų2467 Ų6715%0.14535%0.354CS..SBendtrans-125.5144.6169-70.60000108.7W13 R15 T52 P54 F61W13-V69 HydrophobicContact CB-CG1 4.34Å; R15-V69 HydrophobicContact CB-CG2 3.92Å; T52-V69 HydrophobicContact CG2-CG1 3.61Å; P54-V69 HydrophobicContact CB-CG2 4.34Å; P54-V69 HydrophobicContact CG-CG2 4.13Å; F61-V69 HydrophobicContact CE2-CG1 3.99Å; F61-V69 HydrophobicContact CZ-CG1 3.93Å
70P98.5Very high96.1Very high2 Ų260.4 Ų60.41%0.01332%0.324CS..SBendcis-66.11492.428.7-33.7000113.1L12 W13 V28 C29 I32 P82 I85L12-P70 HydrophobicContact CD1-CB 4.33Å; W13-P70 CarbonylContact O-C 3.33Å; W13-P70 VanDerWaalsContact O-CA 3.25Å; W13-P70 WeakPolarHBondContact O-CA 3.47Å; V28-P70 HydrophobicContact CG1-CG 4Å; C29-P70 HydrophobicContact CB-CB 4.46Å; I32-P70 HydrophobicContact CB-CB 4.12Å; I32-P70 HydrophobicContact CB-CG 4.2Å; I32-P70 HydrophobicContact CG1-CB 3.98Å; I32-P70 HydrophobicContact CG1-CG 3.53Å; P70-P82 HydrophobicContact CG-CG 4.42Å; P70-I85 HydrophobicContact CG-CD1 4.5Å; P70-I85 WeakPolarHBondContact O-CD1 3.38Å
71A98.6Very high96.3Very high0 Ų058.1 Ų58.10%031%0.314CS..EExtended strand (participates in β ladder)trans-131.9149.2169.800000110.6W13 F61 L66 F79 D80W13-A71 HydrophobicContact CB-CB 4.17Å; W13-A71 PolarHBondContact N-O 3.49Å; W13-A71 PolarHBondContact O-N 3.44Å; F61-A71 HydrophobicContact CE2-CB 4.06Å; F61-A71 HydrophobicContact CZ-CB 4.46Å; L66-A71 HydrophobicContact CD1-CB 3.8Å; L66-A71 HydrophobicContact CD2-CB 4.41Å; A71-F79 CarbonylContact C-O 3.51Å; A71-F79 WeakPolarHBondContact CA-O 3.33Å; A71-F79 VanDerWaalsContact CB-O 3.29Å; A71-F79 WeakPolarHBondContact CB-O 3.39Å; A71-D80 HydrophobicContact CB-CB 3.9Å
72L98.8Very high96.4Very high0 Ų059.1 Ų59.10%032%0.32CS..EExtended strand (participates in β ladder)trans-119.3133.5179.8-17073.8000109.3L10 E11 L36 M78 F79 I85 Y88 L89L10-L72 HydrophobicContact CB-CD1 4.29Å; L10-L72 HydrophobicContact CD2-CD1 3.96Å; L10-L72 HydrophobicContact CD2-CD2 4.02Å; L10-L72 HydrophobicContact CD2-CG 4.26Å; E11-L72 WeakPolarHBondContact O-CA 3.45Å; L36-L72 HydrophobicContact CD1-CD1 3.87Å; L36-L72 HydrophobicContact CD2-CD1 4.17Å; L72-M78 WeakPolarHBondContact O-CA 3.22Å; L72-F79 HydrophobicContact CB-CD2 4.48Å; L72-F79 PolarHBondContact N-O 3.39Å; L72-F79 PolarHBondContact O-N 3.17Å; L72-I85 HydrophobicContact CB-CD1 4.28Å; L72-I85 HydrophobicContact CB-CG1 3.95Å; L72-I85 HydrophobicContact CB-CG2 4.02Å; L72-I85 HydrophobicContact CD2-CG2 3.99Å; L72-Y88 HydrophobicContact CD2-CD1 3.67Å; L72-Y88 HydrophobicContact CD2-CE1 4.06Å; L72-L89 HydrophobicContact CD2-CD1 4.39Å; L72-L89 HydrophobicContact CD2-CD2 3.79Å; L72-L89 HydrophobicContact CD2-CG 3.97Å
73V98.5Very high96.5Very high13 Ų1362.6 Ų62.68%0.07933%0.327CS..EExtended strand (participates in β ladder)trans-121.3130.6170.1-175.60000108.6L10 E11 L64 L66 M77 M78L10-V73 WeakPolarHBondContact CA-O 3.41Å; E11-V73 HydrophobicContact CB-CB 4.21Å; E11-V73 PolarHBondContact N-O 3.32Å; E11-V73 PolarHBondContact O-N 3.1Å; L64-V73 HydrophobicContact CD1-CG2 3.9Å; L66-V73 HydrophobicContact CD1-CG2 4.15Å; V73-M77 WeakPolarHBondContact CA-O 3.49Å; V73-M78 HydrophobicContact CG1-CG 4.07Å; V73-M78 HydrophobicContact CG2-CG 4.15Å
74H97.9Very high96.7Very high19 Ų1961.1 Ų61.19%0.08832%0.315CS..EExtended strand (participates in β ladder)trans-141.1110.4171.9-173-157.9000108.8P8 L10 D76 M77 Y88 F93P8-H74 WeakPolarHBondContact CB-NE2 3.43Å; L10-H74 HydrophobicContact CD2-CB 4.29Å; L10-H74 HydrophobicContact CG-CB 3.84Å; H74-D76 PolarHBondContact O-N 3.11Å; H74-M77 PolarHBondContact N-O 3.24Å; H74-M77 WeakPolarHBondContact O-CB 3.38Å; H74-M77 PolarHBondContact O-N 2.92Å; H74-Y88 HydrophobicContact CB-CE1 4.16Å; H74-Y88 AromaticContact ND1-CE1 3.98Å; H74-Y88 AromaticContact ND1-CZ 3.74Å; H74-Y88 PolarHBondContact ND1-OH 2.93Å; H74-F93 AromaticContact CE1-CZ 3.73Å
75D94.9Very high96.9Very high132 Ų13259 Ų5971%0.70630%0.304SS*.THydrogen-bonded Turntrans50.6-119-170-58.4-33.8000111
76D94.4Very high97.2Very high152 Ų15257.4 Ų57.481%0.81328%0.28SS*.THydrogen-bonded Turntrans-87.6-4.1178.7-62.6-44.6000113.5H74H74-D76 PolarHBondContact O-N 3.11Å
77M97.2Very high97.4Very high96 Ų9662.3 Ų62.347%0.47330%0.303SS..EExtended strand (participates in β ladder)trans-90.8129.9-178-58.4-66.6-68.900110.5V73 H74 F79V73-M77 WeakPolarHBondContact CA-O 3.49Å; H74-M77 PolarHBondContact N-O 3.24Å; H74-M77 WeakPolarHBondContact O-CB 3.38Å; H74-M77 PolarHBondContact O-N 2.92Å; M77-F79 HydrophobicContact CB-CE2 3.71Å; M77-F79 HydrophobicContact CB-CZ 4.02Å; M77-F79 HydrophobicContact CE-CE1 4.28Å; M77-F79 HydrophobicContact CE-CE2 4.46Å; M77-F79 HydrophobicContact CE-CZ 3.61Å
78M97.4Very high97.7Very high87 Ų8756 Ų5643%0.42928%0.279SS..EExtended strand (participates in β ladder)trans-136.1133.1-177-61.2176.6-84.800110.2L64 L66 L72 V73L64-M78 HydrophobicContact CB-SD 3.97Å; L64-M78 HydrophobicContact CD2-SD 3.88Å; L66-M78 HydrophobicContact CD2-CB 4.04Å; L72-M78 WeakPolarHBondContact O-CA 3.22Å; V73-M78 HydrophobicContact CG1-CG 4.07Å; V73-M78 HydrophobicContact CG2-CG 4.15Å
79F98.4Very high97.9Very high35 Ų3551.7 Ų51.715%0.15426%0.259CS..EExtended strand (participates in β ladder)trans-139.3134.9-176.4-50.2-89.7000109.9A71 L72 M77 D84 I85 Y88A71-F79 CarbonylContact C-O 3.51Å; A71-F79 WeakPolarHBondContact CA-O 3.33Å; A71-F79 VanDerWaalsContact CB-O 3.29Å; A71-F79 WeakPolarHBondContact CB-O 3.39Å; L72-F79 HydrophobicContact CB-CD2 4.48Å; L72-F79 PolarHBondContact N-O 3.39Å; L72-F79 PolarHBondContact O-N 3.17Å; M77-F79 HydrophobicContact CB-CE2 3.71Å; M77-F79 HydrophobicContact CB-CZ 4.02Å; M77-F79 HydrophobicContact CE-CE1 4.28Å; M77-F79 HydrophobicContact CE-CE2 4.46Å; M77-F79 HydrophobicContact CE-CZ 3.61Å; F79-D84 HydrophobicContact CD1-CB 4.24Å; F79-I85 HydrophobicContact CB-CG1 3.58Å; F79-Y88 HydrophobicContact CD2-CD1 4.3Å; F79-Y88 HydrophobicContact CD2-CG 4.22Å; F79-Y88 HydrophobicContact CE1-CD2 4.29Å; F79-Y88 HydrophobicContact CE1-CG 4.35Å; F79-Y88 AromaticContact CE2-CD1 3.7Å; F79-Y88 HydrophobicContact CE2-CD1 3.7Å; F79-Y88 AromaticContact CE2-CD2 3.57Å; F79-Y88 HydrophobicContact CE2-CD2 3.57Å; F79-Y88 HydrophobicContact CE2-CE1 4.05Å; F79-Y88 AromaticContact CE2-CE2 3.93Å; F79-Y88 HydrophobicContact CE2-CE2 3.93Å; F79-Y88 AromaticContact CE2-CG 3.42Å; F79-Y88 HydrophobicContact CE2-CG 3.42Å; F79-Y88 VanDerWaalsContact CE2-CG 3.42Å; F79-Y88 HydrophobicContact CZ-CD1 4.25Å; F79-Y88 AromaticContact CZ-CD2 3.3Å; F79-Y88 HydrophobicContact CZ-CD2 3.3Å; F79-Y88 AromaticContact CZ-CE2 3.87Å; F79-Y88 HydrophobicContact CZ-CE2 3.87Å; F79-Y88 AromaticContact CZ-CG 3.5Å; F79-Y88 HydrophobicContact CZ-CG 3.5Å
80D97.6Very high97.9Very high25 Ų2552.6 Ų52.613%0.13426%0.264CS..  trans-128.27.5174.763-13.5000114.5L66 R67 H68 A71L66-D80 HydrophobicContact CB-CB 4.43Å; L66-D80 HydrophobicContact CD2-CB 3.73Å; R67-D80 PolarHBondContact N-OD2 2.99Å; H68-D80 HydrophobicContact CB-CB 4.17Å; H68-D80 PolarHBondContact N-OD2 3.14Å; H68-D80 VanDerWaalsContact N-OD2 3.08Å; H68-D80 WeakPolarHBondContact O-CB 3.48Å; A71-D80 HydrophobicContact CB-CB 3.9Å
81E98.1Very high97.9Very high75 Ų7558.2 Ų58.235%0.3529%0.294SS..SBendtrans-99.7126.9168.2-64.4-61161.800109.9H68 E83 D84 I85H68-E81 IonicContact CD2-OE1 3.87Å; E81-E83 VanDerWaalsContact C-N 3.31Å; E81-E83 PolarHBondContact O-N 3.26Å; E81-D84 HydrophobicContact CB-CB 4.2Å; E81-D84 PolarHBondContact O-N 3.28Å; E81-I85 VanDerWaalsContact O-CG1 3.31Å; E81-I85 WeakPolarHBondContact O-CG1 3.44Å; E81-I85 PolarHBondContact O-N 3.01Å
82P97.8Very high97.8Very high22 Ų2260.4 Ų60.414%0.14331%0.312CS..Hα-helixtrans-58-38.6-174.8-25.734000114.6V28 I32 P70 I85 I86V28-P82 HydrophobicContact CG1-CB 3.89Å; V28-P82 HydrophobicContact CG1-CG 3.45Å; V28-P82 VanDerWaalsContact CG1-CG 3.45Å; I32-P82 HydrophobicContact CD1-CB 4.42Å; P70-P82 HydrophobicContact CG-CG 4.42Å; P82-I85 PolarHBondContact O-N 3.5Å; P82-I86 WeakPolarHBondContact O-CG1 3.27Å; P82-I86 PolarHBondContact O-N 2.87Å
83E97.7Very high97.8Very high133 Ų13361.1 Ų61.162%0.62132%0.315SS*.Hα-helixtrans-65.4-44.9178.5-6972.9-162.900111.2E81 I85 I86 E87E81-E83 VanDerWaalsContact C-N 3.31Å; E81-E83 PolarHBondContact O-N 3.26Å; E83-I85 VanDerWaalsContact C-N 3.32Å; E83-I85 PolarHBondContact O-N 3.09Å; E83-I86 PolarHBondContact O-N 3.45Å; E83-E87 PolarHBondContact O-N 3.01Å
84D98.6Very high97.8Very high80 Ų8064.3 Ų64.343%0.42834%0.335SS..Hα-helixtrans-64.6-37.9177.2-63.8-5.5000111.3F79 E81 Y88F79-D84 HydrophobicContact CD1-CB 4.24Å; E81-D84 HydrophobicContact CB-CB 4.2Å; E81-D84 PolarHBondContact O-N 3.28Å; D84-Y88 VanDerWaalsContact O-CB 3.28Å; D84-Y88 WeakPolarHBondContact O-CB 3.39Å; D84-Y88 PolarHBondContact O-N 2.7Å
85I98.8Very high97.7Very high0 Ų069.3 Ų69.30%036%0.359CS..Hα-helixtrans-60.9-46.3174.1-68.5166.8000110.7I32 P70 L72 F79 E81 P82 E83 Y88 L89I32-I85 HydrophobicContact CD1-CB 4.29Å; I32-I85 HydrophobicContact CD1-CG2 3.94Å; I32-I85 HydrophobicContact CG1-CG2 4.34Å; I32-I85 HydrophobicContact CG2-CG2 3.66Å; P70-I85 HydrophobicContact CG-CD1 4.5Å; P70-I85 WeakPolarHBondContact O-CD1 3.38Å; L72-I85 HydrophobicContact CB-CD1 4.28Å; L72-I85 HydrophobicContact CB-CG1 3.95Å; L72-I85 HydrophobicContact CB-CG2 4.02Å; L72-I85 HydrophobicContact CD2-CG2 3.99Å; F79-I85 HydrophobicContact CB-CG1 3.58Å; E81-I85 VanDerWaalsContact O-CG1 3.31Å; E81-I85 WeakPolarHBondContact O-CG1 3.44Å; E81-I85 PolarHBondContact O-N 3.01Å; P82-I85 PolarHBondContact O-N 3.5Å; E83-I85 VanDerWaalsContact C-N 3.32Å; E83-I85 PolarHBondContact O-N 3.09Å; I85-Y88 PolarHBondContact O-N 3.24Å; I85-L89 HydrophobicContact CG2-CD1 3.9Å; I85-L89 HydrophobicContact CG2-CG 4.44Å; I85-L89 WeakPolarHBondContact O-CB 3.35Å; I85-L89 VanDerWaalsContact O-CG 3.25Å; I85-L89 WeakPolarHBondContact O-CG 3.23Å; I85-L89 PolarHBondContact O-N 2.88Å
86I98.6Very high97.9Very high27 Ų2764.9 Ų64.914%0.13834%0.338CS..Hα-helixtrans-65.6-47.5-179.7-72.6167.5000110.5I32 P82 E83 Y88 L89 D90I32-I86 HydrophobicContact CD1-CD1 3.99Å; I32-I86 HydrophobicContact CD1-CG1 3.72Å; P82-I86 WeakPolarHBondContact O-CG1 3.27Å; P82-I86 PolarHBondContact O-N 2.87Å; E83-I86 PolarHBondContact O-N 3.45Å; I86-Y88 VanDerWaalsContact C-N 3.29Å; I86-Y88 PolarHBondContact O-N 3.39Å; I86-L89 PolarHBondContact O-N 2.83Å; I86-D90 PolarHBondContact O-N 2.94Å
87E98.5Very high98Very high123 Ų12362.4 Ų62.458%0.57532%0.324SS*.Hα-helixtrans-57.7-43.9177.2179.4174.9-17800111.3E83 N91E83-E87 PolarHBondContact O-N 3.01Å; E87-N91 WeakPolarHBondContact O-CB 3.49Å; E87-N91 VanDerWaalsContact O-CG 3.3Å; E87-N91 PolarHBondContact O-N 3.46Å; E87-N91 PolarHBondContact O-ND2 3.47Å
88Y98.7Very high98.1Very high40 Ų4058 Ų5816%0.15730%0.302CS..Hα-helixtrans-60.2-48.7175.4175.6-103000112.2L72 H74 F79 D84 I85 I86 D90 N91 A92 F93L72-Y88 HydrophobicContact CD2-CD1 3.67Å; L72-Y88 HydrophobicContact CD2-CE1 4.06Å; H74-Y88 HydrophobicContact CB-CE1 4.16Å; H74-Y88 AromaticContact ND1-CE1 3.98Å; H74-Y88 AromaticContact ND1-CZ 3.74Å; H74-Y88 PolarHBondContact ND1-OH 2.93Å; F79-Y88 HydrophobicContact CD2-CD1 4.3Å; F79-Y88 HydrophobicContact CD2-CG 4.22Å; F79-Y88 HydrophobicContact CE1-CD2 4.29Å; F79-Y88 HydrophobicContact CE1-CG 4.35Å; F79-Y88 AromaticContact CE2-CD1 3.7Å; F79-Y88 HydrophobicContact CE2-CD1 3.7Å; F79-Y88 AromaticContact CE2-CD2 3.57Å; F79-Y88 HydrophobicContact CE2-CD2 3.57Å; F79-Y88 HydrophobicContact CE2-CE1 4.05Å; F79-Y88 AromaticContact CE2-CE2 3.93Å; F79-Y88 HydrophobicContact CE2-CE2 3.93Å; F79-Y88 AromaticContact CE2-CG 3.42Å; F79-Y88 HydrophobicContact CE2-CG 3.42Å; F79-Y88 VanDerWaalsContact CE2-CG 3.42Å; F79-Y88 HydrophobicContact CZ-CD1 4.25Å; F79-Y88 AromaticContact CZ-CD2 3.3Å; F79-Y88 HydrophobicContact CZ-CD2 3.3Å; F79-Y88 AromaticContact CZ-CE2 3.87Å; F79-Y88 HydrophobicContact CZ-CE2 3.87Å; F79-Y88 AromaticContact CZ-CG 3.5Å; F79-Y88 HydrophobicContact CZ-CG 3.5Å; D84-Y88 VanDerWaalsContact O-CB 3.28Å; D84-Y88 WeakPolarHBondContact O-CB 3.39Å; D84-Y88 PolarHBondContact O-N 2.7Å; I85-Y88 PolarHBondContact O-N 3.24Å; I86-Y88 VanDerWaalsContact C-N 3.29Å; I86-Y88 PolarHBondContact O-N 3.39Å; Y88-D90 VanDerWaalsContact C-N 3.35Å; Y88-D90 PolarHBondContact O-N 3.3Å; Y88-N91 PolarHBondContact O-N 2.96Å; Y88-A92 HydrophobicContact CE1-CB 4.27Å; Y88-A92 HydrophobicContact CE2-CB 4.19Å; Y88-A92 VanDerWaalsContact O-CB 3.3Å; Y88-A92 WeakPolarHBondContact O-CB 3.28Å; Y88-A92 PolarHBondContact O-N 2.73Å; Y88-F93 HydrophobicContact CE1-CE2 4.42Å
89L98.7Very high98.1Very high0 Ų056.2 Ų56.20%030%0.298CS..Hα-helixtrans-63.8-39.3-178.2-72.4172.8000112.1L10 V35 L36 L45 L72 I85 I86 F93L10-L89 HydrophobicContact CD2-CD2 3.81Å; V35-L89 HydrophobicContact CG1-CD1 3.8Å; L36-L89 HydrophobicContact CD2-CD1 4.03Å; L36-L89 HydrophobicContact CD2-CD2 3.78Å; L36-L89 HydrophobicContact CG-CD1 4.21Å; L45-L89 HydrophobicContact CD2-CD2 4.28Å; L72-L89 HydrophobicContact CD2-CD1 4.39Å; L72-L89 HydrophobicContact CD2-CD2 3.79Å; L72-L89 HydrophobicContact CD2-CG 3.97Å; I85-L89 HydrophobicContact CG2-CD1 3.9Å; I85-L89 HydrophobicContact CG2-CG 4.44Å; I85-L89 WeakPolarHBondContact O-CB 3.35Å; I85-L89 VanDerWaalsContact O-CG 3.25Å; I85-L89 WeakPolarHBondContact O-CG 3.23Å; I85-L89 PolarHBondContact O-N 2.88Å; I86-L89 PolarHBondContact O-N 2.83Å; L89-F93 HydrophobicContact CD2-CD2 3.98Å; L89-F93 HydrophobicContact CD2-CE2 4.27Å; L89-F93 CarbonylContact O-C 3.27Å; L89-F93 VanDerWaalsContact O-CA 3.3Å; L89-F93 WeakPolarHBondContact O-CA 3.26Å; L89-F93 WeakPolarHBondContact O-CB 3.4Å; L89-F93 PolarHBondContact O-N 3.2Å
90D98.4Very high97.9Very high44 Ų4455.2 Ų55.224%0.23530%0.296CS..Hα-helixtrans-69.9-34.6177.5-73-18.9000112.2K39 I86 Y88 P94 H156K39-D90 IonicContact NZ-OD1 3.56Å; I86-D90 PolarHBondContact O-N 2.94Å; Y88-D90 VanDerWaalsContact C-N 3.35Å; Y88-D90 PolarHBondContact O-N 3.3Å; D90-P94 WeakPolarHBondContact O-CA 3.48Å; D90-H156 VanDerWaalsContact CG-NE2 3.26Å; D90-H156 IonicContact OD1-CE1 3.64Å; D90-H156 IonicContact OD1-NE2 2.78Å; D90-H156 PolarHBondContact OD1-NE2 3.18Å; D90-H156 IonicContact OD2-CD2 3.98Å; D90-H156 IonicContact OD2-CE1 3.71Å; D90-H156 IonicContact OD2-NE2 2.7Å; D90-H156 PolarHBondContact OD2-NE2 3.49Å
91N98.2Very high97.6Very high120 Ų12061.1 Ų61.164%0.64233%0.327SS*.Hα-helixtrans-74.8-43.4176.7-74.6-38.9000112.8E87 Y88E87-N91 WeakPolarHBondContact O-CB 3.49Å; E87-N91 VanDerWaalsContact O-CG 3.3Å; E87-N91 PolarHBondContact O-N 3.46Å; E87-N91 PolarHBondContact O-ND2 3.47Å; Y88-N91 PolarHBondContact O-N 2.96Å
92A97.8Very high97.4Very high46 Ų4660.3 Ų60.338%0.3833%0.325SS..Hα-helixtrans-80.4-30.8-177.400000112.7Y88Y88-A92 HydrophobicContact CE1-CB 4.27Å; Y88-A92 HydrophobicContact CE2-CB 4.19Å; Y88-A92 VanDerWaalsContact O-CB 3.3Å; Y88-A92 WeakPolarHBondContact O-CB 3.28Å; Y88-A92 PolarHBondContact O-N 2.73Å
93F97.8Very high97.3Very high15 Ų1563 Ų637%0.06634%0.341CS..  trans-134.869.3-176-51.2-80.9000110P8 L10 K39 V44 L45 H74 Y88 L89 E95P8-F93 HydrophobicContact CB-CE1 4.18Å; P8-F93 HydrophobicContact CB-CZ 4.17Å; P8-F93 HydrophobicContact CG-CE1 3.94Å; P8-F93 HydrophobicContact CG-CZ 4.35Å; L10-F93 HydrophobicContact CD1-CE2 4.22Å; L10-F93 HydrophobicContact CD1-CZ 3.86Å; L10-F93 HydrophobicContact CD2-CE2 3.98Å; L10-F93 HydrophobicContact CD2-CZ 4.45Å; K39-F93 HydrophobicContact CD-CB 4.33Å; K39-F93 VanDerWaalsContact CE-O 3.31Å; K39-F93 WeakPolarHBondContact CE-O 3.05Å; K39-F93 PolarHBondContact NZ-O 2.9Å; V44-F93 HydrophobicContact CB-CD1 4.41Å; V44-F93 HydrophobicContact CG2-CB 4.09Å; V44-F93 HydrophobicContact CG2-CD1 4.31Å; L45-F93 HydrophobicContact CB-CD1 4.09Å; L45-F93 HydrophobicContact CB-CE1 3.84Å; L45-F93 HydrophobicContact CB-CZ 4.19Å; L45-F93 HydrophobicContact CD2-CB 4.39Å; L45-F93 HydrophobicContact CD2-CD1 4.09Å; L45-F93 HydrophobicContact CD2-CD2 3.75Å; L45-F93 HydrophobicContact CD2-CE1 4.3Å; L45-F93 HydrophobicContact CD2-CE2 4Å; L45-F93 HydrophobicContact CD2-CG 3.81Å; L45-F93 HydrophobicContact CD2-CZ 4.26Å; H74-F93 AromaticContact CE1-CZ 3.73Å; Y88-F93 HydrophobicContact CE1-CE2 4.42Å; L89-F93 HydrophobicContact CD2-CD2 3.98Å; L89-F93 HydrophobicContact CD2-CE2 4.27Å; L89-F93 CarbonylContact O-C 3.27Å; L89-F93 VanDerWaalsContact O-CA 3.3Å; L89-F93 WeakPolarHBondContact O-CA 3.26Å; L89-F93 WeakPolarHBondContact O-CB 3.4Å; L89-F93 PolarHBondContact O-N 3.2Å; F93-E95 PolarHBondContact O-N 3.2Å; F93-E95 VanDerWaalsContact O-N 3.15Å
94P97.9Very high97.2Very high79 Ų7961.4 Ų61.451%0.51333%0.334SS..  trans-60.6-30.5-171.822.6-34000113.4K39 D90 P96 D97K39-P94 PolarHBondContact NZ-O 3.47Å; D90-P94 WeakPolarHBondContact O-CA 3.48Å; P94-P96 CarbonylContact O-C 3.49Å; P94-P96 VanDerWaalsContact O-C 3.27Å; P94-D97 PolarHBondContact O-N 3.2Å
95E97Very high97.2Very high125 Ų12557.6 Ų57.658%0.58431%0.313SS*.PPolyproline II helixtrans-99.5142.5-179.8-65.4-60.5154.400113.1K39 V44 F93K39-E95 WeakPolarHBondContact CD-O 3.22Å; V44-E95 VanDerWaalsContact CG2-O 3.31Å; V44-E95 WeakPolarHBondContact CG2-O 3.36Å; F93-E95 PolarHBondContact O-N 3.2Å; F93-E95 VanDerWaalsContact O-N 3.15Å
96P97.5Very high97.1Very high39 Ų3961.9 Ų61.925%0.25333%0.333SS..SBendcis-67.9146.7-15.630.2-38.1000111V38 K39 A42 P94 L98V38-P96 HydrophobicContact CG1-CG 3.42Å; V38-P96 VanDerWaalsContact CG1-CG 3.42Å; K39-P96 PolarHBondContact NZ-O 2.85Å; A42-P96 VanDerWaalsContact CB-CD 3.44Å; A42-P96 HydrophobicContact CB-CG 4.23Å; P94-P96 CarbonylContact O-C 3.49Å; P94-P96 VanDerWaalsContact O-C 3.27Å; P96-L98 PolarHBondContact O-N 3.46Å
97D97.9Very high97Very high100 Ų10066.9 Ų66.954%0.53535%0.354SS..PPolyproline II helixtrans-64.6129.1170.7-17514000110.7P94 S99P94-D97 PolarHBondContact O-N 3.2Å; D97-S99 VanDerWaalsContact CG-OG 3.26Å; D97-S99 WeakPolarHBondContact OD1-CB 3.34Å; D97-S99 PolarHBondContact OD1-N 3.23Å; D97-S99 PolarHBondContact OD1-OG 3.47Å; D97-S99 VanDerWaalsContact OD1-OG 3.11Å; D97-S99 PolarHBondContact OD2-OG 2.98Å
98L98.3Very high96.9Very high3 Ų361.3 Ų61.32%0.01633%0.328CS..  trans-111.77.6179.9-77.2173.5000111.9V35 V38 P96 L154 T155 H156V35-L98 HydrophobicContact CB-CD1 4.41Å; V35-L98 HydrophobicContact CG1-CD1 3.88Å; V35-L98 HydrophobicContact CG2-CD1 4.39Å; V38-L98 HydrophobicContact CB-CD1 4.27Å; V38-L98 HydrophobicContact CB-CD2 4.49Å; V38-L98 HydrophobicContact CG1-CD1 4.25Å; V38-L98 HydrophobicContact CG1-CD2 3.98Å; V38-L98 HydrophobicContact CG1-CG 4.35Å; V38-L98 HydrophobicContact CG2-CD2 4.36Å; P96-L98 PolarHBondContact O-N 3.46Å; L98-L154 WeakPolarHBondContact CD2-O 3.25Å; L98-T155 CarbonylContact O-C 3.57Å; L98-T155 WeakPolarHBondContact O-CA 3.26Å; L98-T155 VanDerWaalsContact O-CB 3.32Å; L98-T155 WeakPolarHBondContact O-CB 3.41Å; L98-H156 PolarHBondContact O-CD2 2.89Å; L98-H156 PolarHBondContact O-N 3.07Å
99S97Very high96.9Very high49 Ų4959.8 Ų59.834%0.34332%0.323SS..  trans-59.8154.4178.472.40000112.4D97 T155D97-S99 VanDerWaalsContact CG-OG 3.26Å; D97-S99 WeakPolarHBondContact OD1-CB 3.34Å; D97-S99 PolarHBondContact OD1-N 3.23Å; D97-S99 PolarHBondContact OD1-OG 3.47Å; D97-S99 VanDerWaalsContact OD1-OG 3.11Å; D97-S99 PolarHBondContact OD2-OG 2.98Å; S99-T155 WeakPolarHBondContact O-CG2 3.44Å
100C95.2Very high96.7Very high15 Ų1567.8 Ų67.810%0.10136%0.358CS..  trans-131.3110.4170.6166.10000108.7D102 Q106 C150 T155 L157C100-D102 VanDerWaalsContact C-N 3.28Å; C100-D102 PolarHBondContact O-N 2.83Å; C100-Q106 PolarHBondContact O-NE2 3.41Å; C100-C150 HydrophobicContact CB-CB 3.77Å; C100-C150 WeakPolarHBondContact CB-SG 3.25Å; C100-C150 WeakPolarHBondContact SG-CB 3.41Å; C100-C150 CovalentContact SG-SG 2.02Å; C100-C150 PolarHBondContact SG-SG 2.93Å; C100-T155 HydrophobicContact CB-CG2 4.24Å; C100-L157 HydrophobicContact CB-CB 4.32Å
101D92.1Very high96.6Very high149 Ų14969.3 Ų69.380%0.79737%0.366SS*.  trans-82.2-4.5179.5-66.8-31.8000113.5V103D101-V103 PolarHBondContact O-N 2.81Å
102D94.1Very high96.6Very high57 Ų5763.8 Ų63.831%0.30534%0.336SS..  trans-77.392.6178.9-169.6-18.5000111.4C100 H104 A105 Q106 Y140C100-D102 VanDerWaalsContact C-N 3.28Å; C100-D102 PolarHBondContact O-N 2.83Å; D102-H104 PolarHBondContact O-N 3.34Å; D102-H104 VanDerWaalsContact OD1-CA 3.26Å; D102-H104 WeakPolarHBondContact OD1-CA 3.38Å; D102-H104 WeakPolarHBondContact OD1-CB 3.29Å; D102-H104 PolarHBondContact OD1-N 3.42Å; D102-A105 HydrophobicContact CB-CB 3.76Å; D102-A105 WeakPolarHBondContact O-CB 3.03Å; D102-A105 PolarHBondContact O-N 2.95Å; D102-A105 VanDerWaalsContact O-N 3.14Å; D102-A105 PolarHBondContact OD1-N 3.23Å; D102-Q106 WeakPolarHBondContact O-CG 3.24Å; D102-Q106 PolarHBondContact O-N 2.89Å; D102-Q106 VanDerWaalsContact O-N 3.08Å; D102-Y140 PolarHBondContact OD2-OH 3.3Å
103V95.3Very high96.5Very high78 Ų7863.2 Ų63.247%0.47333%0.325SS..Hα-helixtrans-57.6-30.4173.9178.10000112.1D101 K107D101-V103 PolarHBondContact O-N 2.81Å; V103-K107 HydrophobicContact CG1-CD 4.16Å; V103-K107 WeakPolarHBondContact O-CB 3.39Å; V103-K107 VanDerWaalsContact O-CG 3.28Å; V103-K107 WeakPolarHBondContact O-CG 3.25Å; V103-K107 PolarHBondContact O-N 3.48Å
104H95.8Very high96.5Very high101 Ų10164.7 Ų64.747%0.46834%0.338SS..Hα-helixtrans-71-44.4176.7-168.750.2000110.8D102 Q106 K107 T108 Y140D102-H104 PolarHBondContact O-N 3.34Å; D102-H104 VanDerWaalsContact OD1-CA 3.26Å; D102-H104 WeakPolarHBondContact OD1-CA 3.38Å; D102-H104 WeakPolarHBondContact OD1-CB 3.29Å; D102-H104 PolarHBondContact OD1-N 3.42Å; H104-Q106 VanDerWaalsContact C-N 3.35Å; H104-Q106 PolarHBondContact O-N 3.49Å; H104-K107 PolarHBondContact O-N 3.34Å; H104-T108 WeakPolarHBondContact O-CB 3.47Å; H104-T108 PolarHBondContact O-N 2.85Å; H104-T108 PolarHBondContact O-OG1 2.85Å; H104-T108 VanDerWaalsContact O-OG1 3.07Å; H104-Y140 HydrophobicContact CB-CE2 4.35Å; H104-Y140 AromaticContact CD2-CD2 3.35Å; H104-Y140 WeakPolarHBondContact CD2-CD2 3.47Å; H104-Y140 AromaticContact CD2-CE2 3.47Å; H104-Y140 VanDerWaalsContact CD2-CE2 3.47Å; H104-Y140 WeakPolarHBondContact CD2-CE2 3.35Å; H104-Y140 AromaticContact NE2-CD2 3.73Å
105A96.9Very high96.5Very high0 Ų063.5 Ų63.50%033%0.325CS..Hα-helixtrans-54.2-50.8172.800000111.5D102 K107 T108 V109 Y140 L157D102-A105 HydrophobicContact CB-CB 3.76Å; D102-A105 WeakPolarHBondContact O-CB 3.03Å; D102-A105 PolarHBondContact O-N 2.95Å; D102-A105 VanDerWaalsContact O-N 3.14Å; D102-A105 PolarHBondContact OD1-N 3.23Å; A105-K107 PolarHBondContact O-N 3.3Å; A105-T108 WeakPolarHBondContact O-CB 3.35Å; A105-T108 PolarHBondContact O-N 3.37Å; A105-T108 VanDerWaalsContact O-N 3.1Å; A105-V109 PolarHBondContact O-N 3.15Å; A105-Y140 HydrophobicContact CB-CE1 4.02Å; A105-Y140 HydrophobicContact CB-CE2 4.27Å; A105-Y140 WeakPolarHBondContact CB-OH 3.28Å; A105-L157 HydrophobicContact CB-CD2 3.69Å
106Q96.9Very high96.5Very high89 Ų8957.5 Ų57.542%0.41630%0.297SS..Hα-helixtrans-58.5-45.5179.3-66173.2-2.800111.8C100 D102 H104 T108 K110 L157C100-Q106 PolarHBondContact O-NE2 3.41Å; D102-Q106 WeakPolarHBondContact O-CG 3.24Å; D102-Q106 PolarHBondContact O-N 2.89Å; D102-Q106 VanDerWaalsContact O-N 3.08Å; H104-Q106 VanDerWaalsContact C-N 3.35Å; H104-Q106 PolarHBondContact O-N 3.49Å; Q106-T108 VanDerWaalsContact C-N 3.32Å; Q106-T108 PolarHBondContact O-N 3.32Å; Q106-K110 PolarHBondContact O-N 3.12Å; Q106-L157 HydrophobicContact CG-CD1 4.47Å; Q106-L157 HydrophobicContact CG-CD2 4.36Å
107K97.5Very high96.4Very high133 Ų13356.5 Ų56.558%0.57829%0.29SS*.Hα-helixtrans-66.6-32.2176.2-76.9174.7-178.6173.50112.8V103 H104 A105 K136V103-K107 HydrophobicContact CG1-CD 4.16Å; V103-K107 WeakPolarHBondContact O-CB 3.39Å; V103-K107 VanDerWaalsContact O-CG 3.28Å; V103-K107 WeakPolarHBondContact O-CG 3.25Å; V103-K107 PolarHBondContact O-N 3.48Å; H104-K107 PolarHBondContact O-N 3.34Å; A105-K107 PolarHBondContact O-N 3.3Å; K107-K136 PolarHBondContact O-NZ 2.84Å
108T97.3Very high96.3Very high6 Ų656.3 Ų56.34%0.03729%0.285CS..Hα-helixtrans-63.1-46.9178.8-73.30000110.8H104 A105 Q106 K136 L137 Y140H104-T108 WeakPolarHBondContact O-CB 3.47Å; H104-T108 PolarHBondContact O-N 2.85Å; H104-T108 PolarHBondContact O-OG1 2.85Å; H104-T108 VanDerWaalsContact O-OG1 3.07Å; A105-T108 WeakPolarHBondContact O-CB 3.35Å; A105-T108 PolarHBondContact O-N 3.37Å; A105-T108 VanDerWaalsContact O-N 3.1Å; Q106-T108 VanDerWaalsContact C-N 3.32Å; Q106-T108 PolarHBondContact O-N 3.32Å; T108-K136 HydrophobicContact CG2-CG 4.42Å; T108-K136 PolarHBondContact O-NZ 2.93Å; T108-L137 HydrophobicContact CG2-CB 4.41Å; T108-L137 HydrophobicContact CG2-CD1 4.21Å; T108-Y140 HydrophobicContact CG2-CD1 4.29Å; T108-Y140 HydrophobicContact CG2-CG 3.94Å
109V97.3Very high96.2Very high8 Ų856.8 Ų56.85%0.04829%0.287CS..Hα-helixtrans-89.3-16.4-171-57.30000115.1A105 D111 L112 L137 L149 L157 I161A105-V109 PolarHBondContact O-N 3.15Å; V109-D111 VanDerWaalsContact C-N 3.28Å; V109-D111 PolarHBondContact O-N 2.98Å; V109-D111 VanDerWaalsContact O-N 3.08Å; V109-L112 WeakPolarHBondContact O-CB 3.24Å; V109-L112 PolarHBondContact O-N 3.47Å; V109-L137 HydrophobicContact CG1-CD1 4.01Å; V109-L149 HydrophobicContact CG1-CD1 4.01Å; V109-L149 HydrophobicContact CG1-CD2 4.08Å; V109-L157 HydrophobicContact CG2-CD1 3.67Å; V109-L157 HydrophobicContact CG2-CD2 4.25Å; V109-L157 HydrophobicContact CG2-CG 4.15Å; V109-I161 HydrophobicContact CB-CD1 3.62Å; V109-I161 HydrophobicContact CB-CG1 3.84Å; V109-I161 HydrophobicContact CG1-CD1 4.3Å; V109-I161 HydrophobicContact CG1-CG1 4.02Å; V109-I161 HydrophobicContact CG1-CG2 4.39Å; V109-I161 HydrophobicContact CG2-CD1 3.77Å; V109-I161 HydrophobicContact CG2-CG1 3.87Å
110K95.5Very high96.1Very high167 Ų16754.5 Ų54.573%0.72627%0.27SS*.THydrogen-bonded Turntrans-43.7-46.7-173.5-176.9178.3177.4177.70114.8Q106Q106-K110 PolarHBondContact O-N 3.12Å
111D95Very high95.9Very high77 Ų7756.3 Ų56.341%0.41228%0.277SS..THydrogen-bonded Turntrans-98.2-5.7-173.2-60.7-43.9000113.9V109 F113 S114 K115V109-D111 VanDerWaalsContact C-N 3.28Å; V109-D111 PolarHBondContact O-N 2.98Å; V109-D111 VanDerWaalsContact O-N 3.08Å; D111-F113 VanDerWaalsContact C-N 3.34Å; D111-F113 PolarHBondContact O-N 2.7Å; D111-S114 PolarHBondContact O-N 2.74Å; D111-S114 PolarHBondContact O-OG 2.85Å; D111-K115 WeakPolarHBondContact O-CG 3.17Å; D111-K115 PolarHBondContact O-N 2.91Å; D111-K115 VanDerWaalsContact O-N 3.07Å
112L98.1Very high95.7Very high3 Ų353.2 Ų53.22%0.01626%0.257CS..Hα-helixtrans-54.7-50.4-172.2174.363.3000112.2V109 K115 F116 L130 A133 L134 L137 I161 L165 I168V109-L112 WeakPolarHBondContact O-CB 3.24Å; V109-L112 PolarHBondContact O-N 3.47Å; L112-K115 PolarHBondContact O-N 3.27Å; L112-F116 PolarHBondContact O-N 3.47Å; L112-L130 HydrophobicContact CD1-CD1 4.42Å; L112-A133 HydrophobicContact CD1-CB 3.95Å; L112-L134 HydrophobicContact CD1-CD2 3.94Å; L112-L134 HydrophobicContact CD1-CG 4.24Å; L112-L137 HydrophobicContact CD2-CD2 3.76Å; L112-I161 HydrophobicContact CD2-CG2 4.37Å; L112-L165 HydrophobicContact CD2-CD1 4.45Å; L112-I168 HydrophobicContact CD1-CD1 4.2Å; L112-I168 HydrophobicContact CD2-CD1 4.45Å; L112-I168 HydrophobicContact CG-CD1 4.01Å
113F97.4Very high95.5Very high34 Ų3454.9 Ų54.915%0.14927%0.269CS..Hα-helixtrans-75.2-28.8-174.3-164.4-114.8000113P27 D111 F116 C117 K164 W214P27-F113 HydrophobicContact CG-CE1 4.48Å; P27-F113 HydrophobicContact CG-CE2 4.24Å; P27-F113 HydrophobicContact CG-CZ 3.68Å; D111-F113 VanDerWaalsContact C-N 3.34Å; D111-F113 PolarHBondContact O-N 2.7Å; F113-F116 AromaticContact CD2-CD1 3.69Å; F113-F116 HydrophobicContact CD2-CD1 3.69Å; F113-F116 HydrophobicContact CD2-CE1 4.25Å; F113-F116 AromaticContact CE2-CD1 3.57Å; F113-F116 HydrophobicContact CE2-CD1 3.57Å; F113-F116 AromaticContact CE2-CE1 3.66Å; F113-F116 HydrophobicContact CE2-CE1 3.66Å; F113-F116 HydrophobicContact CZ-CD1 4.32Å; F113-F116 HydrophobicContact CZ-CE1 4.24Å; F113-F116 PolarHBondContact O-N 2.94Å; F113-C117 WeakPolarHBondContact O-CB 3.4Å; F113-C117 PolarHBondContact O-N 2.96Å; F113-C117 PolarHBondContact O-SG 3.3Å; F113-K164 HydrophobicContact CB-CD 3.93Å; F113-K164 HydrophobicContact CB-CG 4.45Å; F113-K164 HydrophobicContact CD1-CD 4.2Å; F113-K164 HydrophobicContact CD1-CG 4.35Å; F113-K164 HydrophobicContact CD2-CB 3.55Å; F113-K164 HydrophobicContact CD2-CD 4.02Å; F113-K164 HydrophobicContact CD2-CG 3.59Å; F113-K164 HydrophobicContact CE1-CG 4.5Å; F113-K164 HydrophobicContact CE2-CB 3.9Å; F113-K164 HydrophobicContact CE2-CG 3.76Å; F113-K164 HydrophobicContact CG-CB 4.21Å; F113-K164 HydrophobicContact CG-CD 3.8Å; F113-K164 HydrophobicContact CG-CG 3.89Å; F113-K164 HydrophobicContact CZ-CG 4.21Å; F113-W214 HydrophobicContact CE1-CH2 4.28Å; F113-W214 HydrophobicContact CE2-CH2 4.14Å; F113-W214 AromaticContact CE2-CZ2 3.96Å; F113-W214 HydrophobicContact CE2-CZ2 3.96Å; F113-W214 AromaticContact CZ-CH2 3.56Å; F113-W214 HydrophobicContact CZ-CH2 3.56Å; F113-W214 AromaticContact CZ-CZ2 3.56Å; F113-W214 HydrophobicContact CZ-CZ2 3.56Å
114S96.7Very high95Very high47 Ų4753.2 Ų53.233%0.32926%0.258SS..Hα-helixtrans-70.1-39.2174.967.10000111.1D111 F116 C117 F118D111-S114 PolarHBondContact O-N 2.74Å; D111-S114 PolarHBondContact O-OG 2.85Å; S114-F116 VanDerWaalsContact C-N 3.34Å; S114-F116 PolarHBondContact O-N 3.23Å; S114-C117 PolarHBondContact O-N 3.19Å; S114-F118 PolarHBondContact O-N 2.87Å
115K97.7Very high94.5Very high53 Ų5356.8 Ų56.823%0.2327%0.272CS..Hα-helixtrans-61.4-42.3173.4-61.6-41.2-175.2163.20112.1D111 L112 F118 Y119 Q129 A133D111-K115 WeakPolarHBondContact O-CG 3.17Å; D111-K115 PolarHBondContact O-N 2.91Å; D111-K115 VanDerWaalsContact O-N 3.07Å; L112-K115 PolarHBondContact O-N 3.27Å; K115-F118 PolarHBondContact O-N 3.39Å; K115-Y119 PolarHBondContact O-N 2.81Å; K115-Y119 VanDerWaalsContact O-N 3.14Å; K115-Q129 HydrophobicContact CD-CB 4.16Å; K115-Q129 HydrophobicContact CG-CB 4.49Å; K115-A133 HydrophobicContact CB-CB 4.28Å; K115-A133 HydrophobicContact CG-CB 4.02Å
116F97.3Very high94.4Very high0 Ų060.7 Ų60.70%029%0.293CS..Hα-helixtrans-61-48.1171.5159.9-117.2000112.3L112 F113 S114 F118 Y119 I120 L130 I168 A171 V172 W214L112-F116 PolarHBondContact O-N 3.47Å; F113-F116 AromaticContact CD2-CD1 3.69Å; F113-F116 HydrophobicContact CD2-CD1 3.69Å; F113-F116 HydrophobicContact CD2-CE1 4.25Å; F113-F116 AromaticContact CE2-CD1 3.57Å; F113-F116 HydrophobicContact CE2-CD1 3.57Å; F113-F116 AromaticContact CE2-CE1 3.66Å; F113-F116 HydrophobicContact CE2-CE1 3.66Å; F113-F116 HydrophobicContact CZ-CD1 4.32Å; F113-F116 HydrophobicContact CZ-CE1 4.24Å; F113-F116 PolarHBondContact O-N 2.94Å; S114-F116 VanDerWaalsContact C-N 3.34Å; S114-F116 PolarHBondContact O-N 3.23Å; F116-F118 VanDerWaalsContact C-N 3.27Å; F116-F118 PolarHBondContact O-N 3.03Å; F116-Y119 PolarHBondContact O-N 3.34Å; F116-I120 HydrophobicContact CD2-CB 4.16Å; F116-I120 HydrophobicContact CD2-CG2 4.38Å; F116-I120 HydrophobicContact CE1-CG2 4.47Å; F116-I120 HydrophobicContact CE2-CB 3.69Å; F116-I120 HydrophobicContact CE2-CD1 4.28Å; F116-I120 HydrophobicContact CE2-CG1 3.97Å; F116-I120 HydrophobicContact CE2-CG2 3.99Å; F116-I120 HydrophobicContact CZ-CB 4.17Å; F116-I120 HydrophobicContact CZ-CG1 4.25Å; F116-I120 HydrophobicContact CZ-CG2 4.04Å; F116-I120 WeakPolarHBondContact O-CG2 3.36Å; F116-I120 PolarHBondContact O-N 2.78Å; F116-L130 HydrophobicContact CB-CD1 3.91Å; F116-I168 HydrophobicContact CB-CD1 3.84Å; F116-I168 HydrophobicContact CB-CG1 3.67Å; F116-I168 HydrophobicContact CD1-CD1 4.42Å; F116-I168 HydrophobicContact CD1-CG1 3.65Å; F116-I168 HydrophobicContact CD2-CB 4.36Å; F116-I168 HydrophobicContact CD2-CG1 3.78Å; F116-I168 HydrophobicContact CD2-CG2 4.37Å; F116-I168 HydrophobicContact CE1-CG1 4.12Å; F116-I168 HydrophobicContact CE2-CG1 4.3Å; F116-I168 HydrophobicContact CG-CB 4.46Å; F116-I168 HydrophobicContact CG-CD1 4.16Å; F116-I168 HydrophobicContact CG-CG1 3.43Å; F116-I168 VanDerWaalsContact CG-CG1 3.43Å; F116-I168 HydrophobicContact CZ-CG1 4.46Å; F116-A171 HydrophobicContact CE2-CB 3.96Å; F116-A171 HydrophobicContact CZ-CB 3.79Å; F116-V172 HydrophobicContact CD2-CG1 3.71Å; F116-V172 HydrophobicContact CE2-CG1 3.66Å; F116-W214 HydrophobicContact CD1-CH2 4.11Å; F116-W214 HydrophobicContact CD1-CZ2 4.37Å; F116-W214 HydrophobicContact CE1-CD2 4.22Å; F116-W214 AromaticContact CE1-CE2 3.7Å; F116-W214 HydrophobicContact CE1-CE3 4.24Å; F116-W214 AromaticContact CE1-CH2 3.28Å; F116-W214 HydrophobicContact CE1-CH2 3.28Å; F116-W214 AromaticContact CE1-CZ2 3.28Å; F116-W214 HydrophobicContact CE1-CZ2 3.28Å; F116-W214 AromaticContact CE1-CZ3 3.79Å; F116-W214 HydrophobicContact CE1-CZ3 3.79Å; F116-W214 AromaticContact CZ-CD2 3.92Å; F116-W214 HydrophobicContact CZ-CD2 3.92Å; F116-W214 AromaticContact CZ-CE2 3.73Å; F116-W214 HydrophobicContact CZ-CE3 4.09Å; F116-W214 AromaticContact CZ-CH2 3.96Å; F116-W214 HydrophobicContact CZ-CH2 3.96Å; F116-W214 AromaticContact CZ-CZ2 3.82Å; F116-W214 HydrophobicContact CZ-CZ2 3.82Å; F116-W214 HydrophobicContact CZ-CZ3 4.08Å
117C95.9Very high94.3Very high18 Ų1857.6 Ų57.612%0.12228%0.281CS..Hα-helixtrans-57.9-39.9179.4-74.20000112.1F113 S114 K121F113-C117 WeakPolarHBondContact O-CB 3.4Å; F113-C117 PolarHBondContact O-N 2.96Å; F113-C117 PolarHBondContact O-SG 3.3Å; S114-C117 PolarHBondContact O-N 3.19Å; C117-K121 WeakPolarHBondContact O-CB 3.45Å; C117-K121 WeakPolarHBondContact O-CG 3.42Å; C117-K121 PolarHBondContact O-N 3.03Å
118F95.1Very high94.3Very high95 Ų9554.6 Ų54.642%0.41727%0.274SS..Hα-helixtrans-66.1-37.7175.3-71.3-7.7000112.7S114 K115 F116 V123 N124S114-F118 PolarHBondContact O-N 2.87Å; K115-F118 PolarHBondContact O-N 3.39Å; F116-F118 VanDerWaalsContact C-N 3.27Å; F116-F118 PolarHBondContact O-N 3.03Å; F118-V123 HydrophobicContact CB-CB 4.11Å; F118-V123 HydrophobicContact CB-CG1 4.43Å; F118-V123 HydrophobicContact CD1-CB 4.43Å; F118-V123 HydrophobicContact CD1-CG1 4.39Å; F118-V123 HydrophobicContact CD1-CG2 4.49Å; F118-V123 HydrophobicContact CG-CB 4.4Å; F118-V123 HydrophobicContact CG-CG1 4.32Å; F118-V123 WeakPolarHBondContact O-CA 3.5Å; F118-V123 WeakPolarHBondContact O-CB 3.46Å; F118-V123 PolarHBondContact O-N 3.37Å; F118-N124 PolarHBondContact O-N 2.85Å
119Y95.5Very high94.3Very high14 Ų1458 Ų586%0.05529%0.289CS..Hα-helixtrans-71.1-50.1178.3-179.1-131.1000112.3K115 F116 K121 E122 D126 P127 L130 V172 K176 Y178K115-Y119 PolarHBondContact O-N 2.81Å; K115-Y119 VanDerWaalsContact O-N 3.14Å; F116-Y119 PolarHBondContact O-N 3.34Å; Y119-K121 PolarHBondContact O-N 3.34Å; Y119-E122 PolarHBondContact O-N 2.84Å; Y119-E122 VanDerWaalsContact O-N 3.14Å; Y119-D126 WeakPolarHBondContact CD2-O 3.39Å; Y119-P127 HydrophobicContact CD1-CB 4.48Å; Y119-P127 HydrophobicContact CE1-CB 3.96Å; Y119-P127 HydrophobicContact CE2-CB 4.13Å; Y119-L130 HydrophobicContact CD1-CD2 3.78Å; Y119-L130 HydrophobicContact CE1-CD2 4.44Å; Y119-V172 HydrophobicContact CD1-CG1 4.15Å; Y119-V172 HydrophobicContact CE1-CG1 4.3Å; Y119-K176 HydrophobicContact CD1-CG 4.39Å; Y119-K176 HydrophobicContact CE1-CB 3.95Å; Y119-K176 HydrophobicContact CE1-CD 4.47Å; Y119-K176 HydrophobicContact CE1-CG 3.78Å; Y119-K176 HydrophobicContact CE2-CD 4.36Å; Y119-K176 WeakPolarHBondContact O-CE 3.23Å; Y119-K176 PolarHBondContact O-NZ 3.22Å; Y119-Y178 HydrophobicContact CE1-CD1 4.48Å; Y119-Y178 HydrophobicContact CE1-CG 4.4Å
120I94.8Very high94.3Very high0 Ų057.7 Ų57.70%029%0.287CS..Hα-helixtrans-66.4-27.2-176.8-161.564000112.7F116 A171 F175 K176 W214 T220 P221F116-I120 HydrophobicContact CD2-CB 4.16Å; F116-I120 HydrophobicContact CD2-CG2 4.38Å; F116-I120 HydrophobicContact CE1-CG2 4.47Å; F116-I120 HydrophobicContact CE2-CB 3.69Å; F116-I120 HydrophobicContact CE2-CD1 4.28Å; F116-I120 HydrophobicContact CE2-CG1 3.97Å; F116-I120 HydrophobicContact CE2-CG2 3.99Å; F116-I120 HydrophobicContact CZ-CB 4.17Å; F116-I120 HydrophobicContact CZ-CG1 4.25Å; F116-I120 HydrophobicContact CZ-CG2 4.04Å; F116-I120 WeakPolarHBondContact O-CG2 3.36Å; F116-I120 PolarHBondContact O-N 2.78Å; I120-A171 HydrophobicContact CD1-CB 4.19Å; I120-F175 HydrophobicContact CD1-CB 3.74Å; I120-F175 HydrophobicContact CD1-CD2 4.06Å; I120-F175 HydrophobicContact CD1-CG 4.23Å; I120-K176 HydrophobicContact CD1-CG 4.14Å; I120-W214 HydrophobicContact CG1-CE3 4.43Å; I120-W214 HydrophobicContact CG2-CE3 3.88Å; I120-W214 HydrophobicContact CG2-CZ3 3.86Å; I120-T220 HydrophobicContact CG1-CG2 4.35Å; I120-T220 HydrophobicContact CG2-CG2 4.33Å; I120-P221 VanDerWaalsContact O-CD 3.23Å; I120-P221 WeakPolarHBondContact O-CD 3.4Å
121K92Very high94.4Very high53 Ų5352.3 Ų52.323%0.2326%0.264CS..THydrogen-bonded Turntrans-91.514.5176.1-64.2-179.1169.4-160.10114.5C117 Y119 V123 D219 T220C117-K121 WeakPolarHBondContact O-CB 3.45Å; C117-K121 WeakPolarHBondContact O-CG 3.42Å; C117-K121 PolarHBondContact O-N 3.03Å; Y119-K121 PolarHBondContact O-N 3.34Å; K121-V123 HydrophobicContact CB-CG2 4.24Å; K121-V123 PolarHBondContact O-N 3.46Å; K121-D219 CarbonylContact C-O 3.46Å; K121-D219 VanDerWaalsContact CA-O 3.3Å; K121-D219 WeakPolarHBondContact CA-O 3.12Å; K121-D219 HydrophobicContact CB-CB 4.23Å; K121-T220 HydrophobicContact CG-CG2 3.85Å
122E88.6Confident94.6Very high84 Ų8453.2 Ų53.239%0.39327%0.269SS..THydrogen-bonded Turntrans58.513.8179.8-58-69.3166.700115.5Y119 N124 K176 P221Y119-E122 PolarHBondContact O-N 2.84Å; Y119-E122 VanDerWaalsContact O-N 3.14Å; E122-N124 VanDerWaalsContact C-N 3.32Å; E122-K176 WeakPolarHBondContact OE1-CE 3.21Å; E122-K176 IonicContact OE1-NZ 2.86Å; E122-K176 PolarHBondContact OE1-NZ 3.4Å; E122-K176 IonicContact OE2-NZ 2.74Å; E122-K176 PolarHBondContact OE2-NZ 2.95Å; E122-P221 HydrophobicContact CG-CG 4.23Å
123V88.7Confident94.6Very high92 Ų9253.8 Ų53.856%0.55827%0.274SS*.SBendtrans-65.3-43.3172-179.60000109.1F118 K121F118-V123 HydrophobicContact CB-CB 4.11Å; F118-V123 HydrophobicContact CB-CG1 4.43Å; F118-V123 HydrophobicContact CD1-CB 4.43Å; F118-V123 HydrophobicContact CD1-CG1 4.39Å; F118-V123 HydrophobicContact CD1-CG2 4.49Å; F118-V123 HydrophobicContact CG-CB 4.4Å; F118-V123 HydrophobicContact CG-CG1 4.32Å; F118-V123 WeakPolarHBondContact O-CA 3.5Å; F118-V123 WeakPolarHBondContact O-CB 3.46Å; F118-V123 PolarHBondContact O-N 3.37Å; K121-V123 HydrophobicContact CB-CG2 4.24Å; K121-V123 PolarHBondContact O-N 3.46Å
124N84.3Confident94.6Very high44 Ų4452.1 Ų52.124%0.23527%0.267CS..SBendtrans-106.1128.4164.1-66.6-20.9000108.6F118 E122F118-N124 PolarHBondContact O-N 2.85Å; E122-N124 VanDerWaalsContact C-N 3.32Å
125K86.8Confident94.7Very high176 Ų17654.6 Ų54.677%0.76527%0.271SS*.SBendtrans-81.5-27.4-179.1-64.5-176.8179.4-179.40112.9
126D93.1Very high94.8Very high81 Ų8156.5 Ų56.543%0.43328%0.28SS..SBendtrans-109.8155.8179.670.387.2000111.9Y119 T128Y119-D126 WeakPolarHBondContact CD2-O 3.39Å; D126-T128 VanDerWaalsContact C-N 3.26Å; D126-T128 PolarHBondContact O-N 2.95Å; D126-T128 WeakPolarHBondContact OD1-CB 3.24Å; D126-T128 PolarHBondContact OD1-N 3.4Å; D126-T128 PolarHBondContact OD1-OG1 3.44Å
127P95.6Very high94.8Very high25 Ų2556.6 Ų56.616%0.16228%0.28CS..SBendtrans-79.31.7-174.632.4-36.2000114.1Y119 Q129 L130 E131 Y178Y119-P127 HydrophobicContact CD1-CB 4.48Å; Y119-P127 HydrophobicContact CE1-CB 3.96Å; Y119-P127 HydrophobicContact CE2-CB 4.13Å; P127-Q129 VanDerWaalsContact C-N 3.31Å; P127-Q129 PolarHBondContact O-N 3.46Å; P127-Q129 VanDerWaalsContact O-N 3.12Å; P127-L130 CarbonylContact O-C 3.24Å; P127-L130 WeakPolarHBondContact O-CA 3.5Å; P127-L130 WeakPolarHBondContact O-CB 3.2Å; P127-L130 PolarHBondContact O-N 3.46Å; P127-E131 HydrophobicContact CB-CG 4.33Å; P127-E131 PolarHBondContact O-N 3.07Å; P127-Y178 HydrophobicContact CB-CD2 3.97Å; P127-Y178 HydrophobicContact CB-CE2 3.83Å; P127-Y178 HydrophobicContact CG-CD2 4.01Å; P127-Y178 HydrophobicContact CG-CE2 3.98Å
128T97.3Very high94.9Very high70 Ų7056.3 Ų56.343%0.42928%0.277SS..Hα-helixtrans-53.6-44.4-166.8-58.40000112.9D126 E131 L132D126-T128 VanDerWaalsContact C-N 3.26Å; D126-T128 PolarHBondContact O-N 2.95Å; D126-T128 WeakPolarHBondContact OD1-CB 3.24Å; D126-T128 PolarHBondContact OD1-N 3.4Å; D126-T128 PolarHBondContact OD1-OG1 3.44Å; T128-E131 PolarHBondContact O-N 2.89Å; T128-L132 HydrophobicContact CG2-CD1 4.32Å; T128-L132 WeakPolarHBondContact O-CG 3.49Å; T128-L132 PolarHBondContact O-N 2.87Å
129Q97.3Very high95.1Very high77 Ų7754.6 Ų54.636%0.3628%0.277SS..Hα-helixtrans-68.9-34.8-179.8-67.6-64.7-54.100112.8K115 P127 A133K115-Q129 HydrophobicContact CD-CB 4.16Å; K115-Q129 HydrophobicContact CG-CB 4.49Å; P127-Q129 VanDerWaalsContact C-N 3.31Å; P127-Q129 PolarHBondContact O-N 3.46Å; P127-Q129 VanDerWaalsContact O-N 3.12Å; Q129-A133 PolarHBondContact O-N 3.21Å
130L97.9Very high95.2Very high1 Ų154.4 Ų54.41%0.00528%0.277CS..Hα-helixtrans-70-42.7173.917559.5000110.5L112 F116 Y119 P127 L132 A133 L134 I168 V172 Y178L112-L130 HydrophobicContact CD1-CD1 4.42Å; F116-L130 HydrophobicContact CB-CD1 3.91Å; Y119-L130 HydrophobicContact CD1-CD2 3.78Å; Y119-L130 HydrophobicContact CE1-CD2 4.44Å; P127-L130 CarbonylContact O-C 3.24Å; P127-L130 WeakPolarHBondContact O-CA 3.5Å; P127-L130 WeakPolarHBondContact O-CB 3.2Å; P127-L130 PolarHBondContact O-N 3.46Å; L130-L132 PolarHBondContact O-N 3.38Å; L130-A133 PolarHBondContact O-N 3.27Å; L130-L134 HydrophobicContact CD1-CD1 4.12Å; L130-L134 HydrophobicContact CD1-CG 4.1Å; L130-L134 HydrophobicContact CG-CD1 3.93Å; L130-L134 HydrophobicContact CG-CG 4.38Å; L130-L134 WeakPolarHBondContact O-CB 3.25Å; L130-L134 WeakPolarHBondContact O-CG 3.49Å; L130-L134 PolarHBondContact O-N 3.46Å; L130-I168 HydrophobicContact CD1-CD1 4.49Å; L130-I168 HydrophobicContact CD1-CG2 4.4Å; L130-I168 HydrophobicContact CD2-CG2 4.33Å; L130-V172 HydrophobicContact CD2-CG1 4Å; L130-Y178 HydrophobicContact CD2-CE1 4.45Å
131E98Very high95.3Very high54 Ų5454.5 Ų54.525%0.25228%0.277SS..Hα-helixtrans-59-44.4175.6-78-177.4-163.800112.4P127 T128 A133 L134 K135 Y178P127-E131 HydrophobicContact CB-CG 4.33Å; P127-E131 PolarHBondContact O-N 3.07Å; T128-E131 PolarHBondContact O-N 2.89Å; E131-A133 VanDerWaalsContact C-N 3.32Å; E131-A133 PolarHBondContact O-N 3.45Å; E131-L134 PolarHBondContact O-N 2.94Å; E131-K135 WeakPolarHBondContact O-CB 3.35Å; E131-K135 VanDerWaalsContact O-CG 3.28Å; E131-K135 WeakPolarHBondContact O-CG 3.48Å; E131-K135 PolarHBondContact O-N 2.95Å; E131-K135 IonicContact OE2-NZ 3.26Å; E131-Y178 HydrophobicContact CG-CE2 4.25Å; E131-Y178 VanDerWaalsContact CG-OH 3.25Å; E131-Y178 WeakPolarHBondContact CG-OH 3.31Å
132L98Very high95.6Very high97 Ų9755.5 Ų55.551%0.50828%0.284SS..Hα-helixtrans-61.8-40.7176.1-72.5172.7000111.7T128 L130 K136T128-L132 HydrophobicContact CG2-CD1 4.32Å; T128-L132 WeakPolarHBondContact O-CG 3.49Å; T128-L132 PolarHBondContact O-N 2.87Å; L130-L132 PolarHBondContact O-N 3.38Å; L132-K136 WeakPolarHBondContact O-CB 3.31Å; L132-K136 PolarHBondContact O-N 3.1Å
133A98.3Very high96Very high14 Ų1458.5 Ų58.512%0.11630%0.298CS..Hα-helixtrans-67.7-40.7176.500000112.5L112 K115 Q129 L130 E131 K136 L137L112-A133 HydrophobicContact CD1-CB 3.95Å; K115-A133 HydrophobicContact CB-CB 4.28Å; K115-A133 HydrophobicContact CG-CB 4.02Å; Q129-A133 PolarHBondContact O-N 3.21Å; L130-A133 PolarHBondContact O-N 3.27Å; E131-A133 VanDerWaalsContact C-N 3.32Å; E131-A133 PolarHBondContact O-N 3.45Å; A133-K136 PolarHBondContact O-N 3.22Å; A133-L137 PolarHBondContact O-N 3.22Å
134L98.6Very high96.3Very high0 Ų056 Ų560%029%0.285CS..Hα-helixtrans-65.5-42.9175.4-73.6169.4000111.7L112 L130 E131 L137 D138 L165 I180 L184L112-L134 HydrophobicContact CD1-CD2 3.94Å; L112-L134 HydrophobicContact CD1-CG 4.24Å; L130-L134 HydrophobicContact CD1-CD1 4.12Å; L130-L134 HydrophobicContact CD1-CG 4.1Å; L130-L134 HydrophobicContact CG-CD1 3.93Å; L130-L134 HydrophobicContact CG-CG 4.38Å; L130-L134 WeakPolarHBondContact O-CB 3.25Å; L130-L134 WeakPolarHBondContact O-CG 3.49Å; L130-L134 PolarHBondContact O-N 3.46Å; E131-L134 PolarHBondContact O-N 2.94Å; L134-L137 PolarHBondContact O-N 3.25Å; L134-D138 WeakPolarHBondContact O-CB 3.45Å; L134-D138 PolarHBondContact O-N 3.28Å; L134-L165 HydrophobicContact CD2-CD1 3.77Å; L134-I180 HydrophobicContact CD1-CG1 4.38Å; L134-L184 HydrophobicContact CB-CD1 3.81Å
135K98.4Very high96.7Very high99 Ų9959.5 Ų59.543%0.4330%0.304SS..Hα-helixtrans-61.8-41.9174.8-75.9168.6179.6164.70111.7E131 D138 S139 L184E131-K135 WeakPolarHBondContact O-CB 3.35Å; E131-K135 VanDerWaalsContact O-CG 3.28Å; E131-K135 WeakPolarHBondContact O-CG 3.48Å; E131-K135 PolarHBondContact O-N 2.95Å; E131-K135 IonicContact OE2-NZ 3.26Å; K135-D138 WeakPolarHBondContact O-CB 3.17Å; K135-D138 PolarHBondContact O-N 3.06Å; K135-S139 PolarHBondContact O-N 2.81Å; K135-S139 PolarHBondContact O-OG 2.91Å; K135-S139 VanDerWaalsContact O-OG 3.06Å; K135-L184 HydrophobicContact CG-CD2 3.97Å
136K98.4Very high97.1Very high93 Ų9352.8 Ų52.840%0.40428%0.278SS..Hα-helixtrans-60.5-45.2175.2-173.8-168.4178-162.50111.8K107 T108 L132 A133 Y140K107-K136 PolarHBondContact O-NZ 2.84Å; T108-K136 HydrophobicContact CG2-CG 4.42Å; T108-K136 PolarHBondContact O-NZ 2.93Å; L132-K136 WeakPolarHBondContact O-CB 3.31Å; L132-K136 PolarHBondContact O-N 3.1Å; A133-K136 PolarHBondContact O-N 3.22Å; K136-Y140 PolarHBondContact O-N 3.04Å
137L98.6Very high97.3Very high1 Ų153.6 Ų53.61%0.00528%0.277CS..Hα-helixtrans-62.5-45.1174.6172.959.6000111.5T108 V109 L112 A133 L134 Y140 L141 L149 L165 V187T108-L137 HydrophobicContact CG2-CB 4.41Å; T108-L137 HydrophobicContact CG2-CD1 4.21Å; V109-L137 HydrophobicContact CG1-CD1 4.01Å; L112-L137 HydrophobicContact CD2-CD2 3.76Å; A133-L137 PolarHBondContact O-N 3.22Å; L134-L137 PolarHBondContact O-N 3.25Å; L137-Y140 PolarHBondContact O-N 3.06Å; L137-L141 HydrophobicContact CD1-CD1 3.69Å; L137-L141 HydrophobicContact CD1-CG 3.9Å; L137-L141 HydrophobicContact CD2-CD1 4.36Å; L137-L141 HydrophobicContact CG-CD1 3.7Å; L137-L141 HydrophobicContact CG-CG 4.36Å; L137-L141 WeakPolarHBondContact O-CG 3.26Å; L137-L141 PolarHBondContact O-N 3.11Å; L137-L149 HydrophobicContact CD1-CD2 3.86Å; L137-L165 HydrophobicContact CD2-CD1 4.49Å; L137-L165 HydrophobicContact CD2-CD2 4.18Å; L137-V187 HydrophobicContact CB-CG2 4.43Å; L137-V187 HydrophobicContact CD2-CG2 4.13Å; L137-V187 HydrophobicContact CG-CG2 4.04Å
138D98.3Very high97.4Very high12 Ų1252.7 Ų52.76%0.06427%0.271CS..Hα-helixtrans-58.8-49.8179.8-169.366.2000112.1L134 K135 Y140 L141 L142 L184 S185 G186 V187L134-D138 WeakPolarHBondContact O-CB 3.45Å; L134-D138 PolarHBondContact O-N 3.28Å; K135-D138 WeakPolarHBondContact O-CB 3.17Å; K135-D138 PolarHBondContact O-N 3.06Å; D138-Y140 VanDerWaalsContact C-N 3.34Å; D138-Y140 PolarHBondContact O-N 3.37Å; D138-L141 PolarHBondContact O-N 3.42Å; D138-L142 VanDerWaalsContact O-CG 3.31Å; D138-L142 WeakPolarHBondContact O-CG 3.29Å; D138-L142 PolarHBondContact O-N 3.43Å; D138-L184 HydrophobicContact CB-CB 4.27Å; D138-L184 HydrophobicContact CB-CD2 4.01Å; D138-L184 VanDerWaalsContact OD1-CA 3.28Å; D138-L184 WeakPolarHBondContact OD1-CA 3.35Å; D138-S185 PolarHBondContact OD1-N 3.23Å; D138-G186 VanDerWaalsContact OD1-CA 3.24Å; D138-G186 WeakPolarHBondContact OD1-CA 3.25Å; D138-G186 PolarHBondContact OD1-N 2.92Å; D138-V187 HydrophobicContact CB-CG2 3.76Å; D138-V187 PolarHBondContact OD1-N 2.71Å
139S98.1Very high97.4Very high59 Ų5949.3 Ų49.341%0.41325%0.25SS..Hα-helixtrans-57.7-45.4176.8-56.90000111.9K135 L141 L142 E143K135-S139 PolarHBondContact O-N 2.81Å; K135-S139 PolarHBondContact O-OG 2.91Å; K135-S139 VanDerWaalsContact O-OG 3.06Å; S139-L141 PolarHBondContact O-N 3.26Å; S139-L142 PolarHBondContact O-N 2.81Å; S139-E143 WeakPolarHBondContact O-CB 3.47Å; S139-E143 VanDerWaalsContact O-CG 3.31Å; S139-E143 WeakPolarHBondContact O-CG 3.42Å; S139-E143 PolarHBondContact O-N 3.28Å
140Y98.2Very high97.4Very high11 Ų1147.5 Ų47.54%0.04325%0.246CC..Hα-helixtrans-61.1-43.7176.5173.3-92.6000112.8D102 H104 A105 T108 K136 L137 D138 L142 E143 S144 L149D102-Y140 PolarHBondContact OD2-OH 3.3Å; H104-Y140 HydrophobicContact CB-CE2 4.35Å; H104-Y140 AromaticContact CD2-CD2 3.35Å; H104-Y140 WeakPolarHBondContact CD2-CD2 3.47Å; H104-Y140 AromaticContact CD2-CE2 3.47Å; H104-Y140 VanDerWaalsContact CD2-CE2 3.47Å; H104-Y140 WeakPolarHBondContact CD2-CE2 3.35Å; H104-Y140 AromaticContact NE2-CD2 3.73Å; A105-Y140 HydrophobicContact CB-CE1 4.02Å; A105-Y140 HydrophobicContact CB-CE2 4.27Å; A105-Y140 WeakPolarHBondContact CB-OH 3.28Å; T108-Y140 HydrophobicContact CG2-CD1 4.29Å; T108-Y140 HydrophobicContact CG2-CG 3.94Å; K136-Y140 PolarHBondContact O-N 3.04Å; L137-Y140 PolarHBondContact O-N 3.06Å; D138-Y140 VanDerWaalsContact C-N 3.34Å; D138-Y140 PolarHBondContact O-N 3.37Å; Y140-L142 VanDerWaalsContact C-N 3.34Å; Y140-E143 PolarHBondContact O-N 3.02Å; Y140-S144 WeakPolarHBondContact O-CB 3.47Å; Y140-S144 PolarHBondContact O-N 3.4Å; Y140-S144 PolarHBondContact O-OG 2.74Å; Y140-L149 HydrophobicContact CD1-CD2 4.12Å; Y140-L149 HydrophobicContact CE1-CD2 3.93Å; Y140-L149 PolarHBondContact OH-O 3.31Å
141L97.7Very high97.3Very high1 Ų148.3 Ų48.31%0.00525%0.254CS..Hα-helixtrans-64.7-40.7178.5-73.5165.9000111.1L137 D138 S139 S144 N145 L149 G186 V187 R189 Y190L137-L141 HydrophobicContact CD1-CD1 3.69Å; L137-L141 HydrophobicContact CD1-CG 3.9Å; L137-L141 HydrophobicContact CD2-CD1 4.36Å; L137-L141 HydrophobicContact CG-CD1 3.7Å; L137-L141 HydrophobicContact CG-CG 4.36Å; L137-L141 WeakPolarHBondContact O-CG 3.26Å; L137-L141 PolarHBondContact O-N 3.11Å; D138-L141 PolarHBondContact O-N 3.42Å; S139-L141 PolarHBondContact O-N 3.26Å; L141-S144 WeakPolarHBondContact CA-OG 3.49Å; L141-S144 PolarHBondContact O-OG 3.19Å; L141-N145 PolarHBondContact O-N 3.4Å; L141-L149 HydrophobicContact CD2-CD2 3.92Å; L141-G186 WeakPolarHBondContact CD1-O 3.32Å; L141-V187 HydrophobicContact CD1-CG2 4.28Å; L141-R189 PolarHBondContact O-NH2 3.4Å; L141-Y190 HydrophobicContact CD1-CD1 4.34Å; L141-Y190 HydrophobicContact CD1-CG 4.07Å; L141-Y190 HydrophobicContact CD2-CD2 3.94Å; L141-Y190 HydrophobicContact CD2-CG 3.98Å
142L97Very high97.3Very high75 Ų7551 Ų5139%0.39327%0.27SS..Hα-helixtrans-64.8-40.8175.8-68.8173.4000112D138 S139 Y140D138-L142 VanDerWaalsContact O-CG 3.31Å; D138-L142 WeakPolarHBondContact O-CG 3.29Å; D138-L142 PolarHBondContact O-N 3.43Å; S139-L142 PolarHBondContact O-N 2.81Å; Y140-L142 VanDerWaalsContact C-N 3.34Å
143E96.9Very high97.2Very high146 Ų14654.9 Ų54.968%0.68228%0.283SS*.Hα-helixtrans-68.5-45.3178.8-75.2174.3-167.700113S139 Y140S139-E143 WeakPolarHBondContact O-CB 3.47Å; S139-E143 VanDerWaalsContact O-CG 3.31Å; S139-E143 WeakPolarHBondContact O-CG 3.42Å; S139-E143 PolarHBondContact O-N 3.28Å; Y140-E143 PolarHBondContact O-N 3.02Å
144S94.5Very high97.2Very high39 Ų3955.3 Ų55.327%0.27328%0.283SS..Hα-helixtrans-67.7-35.8178.650.40000112.5Y140 L141 T146Y140-S144 WeakPolarHBondContact O-CB 3.47Å; Y140-S144 PolarHBondContact O-N 3.4Å; Y140-S144 PolarHBondContact O-OG 2.74Å; L141-S144 WeakPolarHBondContact CA-OG 3.49Å; L141-S144 PolarHBondContact O-OG 3.19Å; S144-T146 PolarHBondContact O-N 2.95Å
145N94Very high97.2Very high119 Ų11955.8 Ų55.864%0.63629%0.286SS*.  trans51.834.5179.9-163.643.1000114.5L141L141-N145 PolarHBondContact O-N 3.4Å
146T96Very high97.2Very high35 Ų3552.3 Ų52.322%0.21527%0.271CS..SBendtrans-104.4163.7174.948.20000111.1S144 F148S144-T146 PolarHBondContact O-N 2.95Å; T146-F148 PolarHBondContact OG1-O 3.31Å
147K96.4Very high97.1Very high98 Ų9849.2 Ų49.243%0.42626%0.259SS..SBendtrans-63.4-40.6177.4-176.6-179.3178.1179.80112.5D152 A193K147-D152 HydrophobicContact CB-CB 4.35Å; K147-D152 WeakPolarHBondContact CB-OD1 3.34Å; K147-D152 PolarHBondContact N-OD1 3.46Å; K147-A193 HydrophobicContact CG-CB 3.76Å; K147-A193 WeakPolarHBondContact O-CB 3.19Å
148F98.1Very high97.2Very high5 Ų549.1 Ų49.12%0.02226%0.259CS..BIsolated β-bridgetrans-122.5-179.5179.8-65-63.2000111.4T146 C150 G151 D152 L154 D158 L162 Y190 A193 C197T146-F148 PolarHBondContact OG1-O 3.31Å; F148-C150 VanDerWaalsContact C-N 3.33Å; F148-C150 PolarHBondContact O-N 2.91Å; F148-G151 CarbonylContact C-O 3.5Å; F148-G151 WeakPolarHBondContact CA-O 3.46Å; F148-G151 VanDerWaalsContact CB-O 3.32Å; F148-G151 WeakPolarHBondContact CB-O 3.49Å; F148-G151 PolarHBondContact N-O 3.39Å; F148-D152 WeakPolarHBondContact CD2-O 3.36Å; F148-L154 HydrophobicContact CD1-CD1 4.01Å; F148-L154 HydrophobicContact CE1-CD1 3.7Å; F148-L154 HydrophobicContact CE2-CB 4.29Å; F148-L154 HydrophobicContact CE2-CD1 4.28Å; F148-L154 HydrophobicContact CG-CD1 4.43Å; F148-L154 HydrophobicContact CZ-CD1 3.84Å; F148-D158 WeakPolarHBondContact CB-OD1 3.37Å; F148-D158 HydrophobicContact CD1-CB 4.41Å; F148-L162 HydrophobicContact CD1-CD1 4.38Å; F148-L162 HydrophobicContact CE1-CD1 4.09Å; F148-Y190 HydrophobicContact CB-CE2 4.36Å; F148-Y190 HydrophobicContact CD1-CD2 4.49Å; F148-Y190 AromaticContact CD1-CE2 3.97Å; F148-Y190 HydrophobicContact CD1-CE2 3.97Å; F148-A193 HydrophobicContact CE1-CB 4.18Å; F148-C197 HydrophobicContact CZ-CB 4.37Å
149L97.8Very high97.2Very high0 Ų048.6 Ų48.60%026%0.256CS..THydrogen-bonded Turntrans-63.2-36.7-172.7-76.2166.9000113.2V109 L137 Y140 L141 L157 D158 I161 Y190V109-L149 HydrophobicContact CG1-CD1 4.01Å; V109-L149 HydrophobicContact CG1-CD2 4.08Å; L137-L149 HydrophobicContact CD1-CD2 3.86Å; Y140-L149 HydrophobicContact CD1-CD2 4.12Å; Y140-L149 HydrophobicContact CE1-CD2 3.93Å; Y140-L149 PolarHBondContact OH-O 3.31Å; L141-L149 HydrophobicContact CD2-CD2 3.92Å; L149-L157 HydrophobicContact CB-CD2 4.06Å; L149-L157 HydrophobicContact CD1-CB 4.33Å; L149-L157 HydrophobicContact CD1-CD2 3.8Å; L149-L157 HydrophobicContact CD1-CG 3.71Å; L149-D158 WeakPolarHBondContact CB-OD1 3.39Å; L149-D158 WeakPolarHBondContact CG-OD1 3.49Å; L149-D158 PolarHBondContact N-OD1 2.68Å; L149-I161 HydrophobicContact CD1-CB 3.92Å; L149-I161 HydrophobicContact CD1-CG1 3.9Å; L149-I161 HydrophobicContact CD1-CG2 4.18Å; L149-Y190 VanDerWaalsContact CD1-OH 3.31Å; L149-Y190 WeakPolarHBondContact CD1-OH 3.48Å; L149-Y190 HydrophobicContact CG-CE2 3.93Å
150C96.2Very high97.2Very high39 Ų3946.4 Ų46.426%0.26424%0.24SC..THydrogen-bonded Turntrans-119.523.7-173.1-43.70000112.8C100 F148 T155C100-C150 HydrophobicContact CB-CB 3.77Å; C100-C150 WeakPolarHBondContact CB-SG 3.25Å; C100-C150 WeakPolarHBondContact SG-CB 3.41Å; C100-C150 CovalentContact SG-SG 2.02Å; C100-C150 PolarHBondContact SG-SG 2.93Å; F148-C150 VanDerWaalsContact C-N 3.33Å; F148-C150 PolarHBondContact O-N 2.91Å; C150-T155 HydrophobicContact CB-CG2 4.06Å
151G96.4Very high97.2Very high18 Ų1846.2 Ų46.219%0.18624%0.24CC..BIsolated β-bridgetrans135.9-161-177.100000112.9F148F148-G151 CarbonylContact C-O 3.5Å; F148-G151 WeakPolarHBondContact CA-O 3.46Å; F148-G151 VanDerWaalsContact CB-O 3.32Å; F148-G151 WeakPolarHBondContact CB-O 3.49Å; F148-G151 PolarHBondContact N-O 3.39Å
152D96.9Very high97.3Very high111 Ų11146.2 Ų46.259%0.59424%0.24SC*.SBendtrans-91.6-6.5-179.2-66.3-34.3000114.4K147 F148K147-D152 HydrophobicContact CB-CB 4.35Å; K147-D152 WeakPolarHBondContact CB-OD1 3.34Å; K147-D152 PolarHBondContact N-OD1 3.46Å; F148-D152 WeakPolarHBondContact CD2-O 3.36Å
153K96.3Very high97.4Very high178 Ų17842.7 Ų42.777%0.77422%0.222SC*.SBendtrans-99.3145.1174.3-64.9-176.7180-1800110
154L97.8Very high97.4Very high23 Ų2337.6 Ų37.612%0.1220%0.197CC..  trans-67.8136.7176.5-166.178.5000109.8M34 V38 L98 F148 D158 L162 V199M34-L154 HydrophobicContact CE-CD1 4.29Å; M34-L154 HydrophobicContact CE-CD2 4.08Å; V38-L154 HydrophobicContact CG2-CD2 3.78Å; L98-L154 WeakPolarHBondContact CD2-O 3.25Å; F148-L154 HydrophobicContact CD1-CD1 4.01Å; F148-L154 HydrophobicContact CE1-CD1 3.7Å; F148-L154 HydrophobicContact CE2-CB 4.29Å; F148-L154 HydrophobicContact CE2-CD1 4.28Å; F148-L154 HydrophobicContact CG-CD1 4.43Å; F148-L154 HydrophobicContact CZ-CD1 3.84Å; L154-D158 HydrophobicContact CD1-CB 3.51Å; L154-D158 HydrophobicContact CG-CB 4.13Å; L154-L162 HydrophobicContact CD1-CD1 4.09Å; L154-V199 HydrophobicContact CD2-CB 4.26Å; L154-V199 HydrophobicContact CD2-CG1 3.83Å
155T98.5Very high97.7Very high10 Ų1035.7 Ų35.76%0.06118%0.184CC..  trans-121.4172.7176.366.70000111.7L98 S99 C100 C150 L157 D158 C159L98-T155 CarbonylContact O-C 3.57Å; L98-T155 WeakPolarHBondContact O-CA 3.26Å; L98-T155 VanDerWaalsContact O-CB 3.32Å; L98-T155 WeakPolarHBondContact O-CB 3.41Å; S99-T155 WeakPolarHBondContact O-CG2 3.44Å; C100-T155 HydrophobicContact CB-CG2 4.24Å; C150-T155 HydrophobicContact CB-CG2 4.06Å; T155-L157 PolarHBondContact O-N 3.05Å; T155-L157 PolarHBondContact OG1-N 3.24Å; T155-D158 PolarHBondContact N-OD2 3.36Å; T155-D158 PolarHBondContact O-N 3.4Å; T155-D158 PolarHBondContact OG1-N 2.95Å; T155-D158 PolarHBondContact OG1-OD2 2.99Å; T155-C159 PolarHBondContact O-N 2.89Å; T155-C159 PolarHBondContact O-SG 3.42Å; T155-C159 VanDerWaalsContact O-SG 3.4Å
156H98.6Very high97.9Very high25 Ų2530 Ų3012%0.11615%0.154CC..Hα-helixtrans-53.5-35.7169.1-76-48.9000112.3V35 D90 L98 D158 C159 S160V35-H156 WeakPolarHBondContact CG2-ND1 3.39Å; D90-H156 VanDerWaalsContact CG-NE2 3.26Å; D90-H156 IonicContact OD1-CE1 3.64Å; D90-H156 IonicContact OD1-NE2 2.78Å; D90-H156 PolarHBondContact OD1-NE2 3.18Å; D90-H156 IonicContact OD2-CD2 3.98Å; D90-H156 IonicContact OD2-CE1 3.71Å; D90-H156 IonicContact OD2-NE2 2.7Å; D90-H156 PolarHBondContact OD2-NE2 3.49Å; L98-H156 PolarHBondContact O-CD2 2.89Å; L98-H156 PolarHBondContact O-N 3.07Å; H156-D158 VanDerWaalsContact C-N 3.33Å; H156-D158 PolarHBondContact O-N 3.44Å; H156-C159 PolarHBondContact O-N 3.13Å; H156-S160 PolarHBondContact O-N 3.17Å
157L98Very high98Very high28 Ų2828.4 Ų28.415%0.14714%0.144CC..Hα-helixtrans-63.9-42.3177.9-160.464.9000110.3C100 A105 Q106 V109 L149 T155 S160 I161C100-L157 HydrophobicContact CB-CB 4.32Å; A105-L157 HydrophobicContact CB-CD2 3.69Å; Q106-L157 HydrophobicContact CG-CD1 4.47Å; Q106-L157 HydrophobicContact CG-CD2 4.36Å; V109-L157 HydrophobicContact CG2-CD1 3.67Å; V109-L157 HydrophobicContact CG2-CD2 4.25Å; V109-L157 HydrophobicContact CG2-CG 4.15Å; L149-L157 HydrophobicContact CB-CD2 4.06Å; L149-L157 HydrophobicContact CD1-CB 4.33Å; L149-L157 HydrophobicContact CD1-CD2 3.8Å; L149-L157 HydrophobicContact CD1-CG 3.71Å; T155-L157 PolarHBondContact O-N 3.05Å; T155-L157 PolarHBondContact OG1-N 3.24Å; L157-S160 PolarHBondContact O-N 3Å; L157-I161 HydrophobicContact CG-CG1 4.43Å; L157-I161 WeakPolarHBondContact O-CB 3.36Å; L157-I161 VanDerWaalsContact O-CG1 3.25Å; L157-I161 WeakPolarHBondContact O-CG1 3.28Å; L157-I161 PolarHBondContact O-N 2.99Å
158D98.7Very high98.1Very high0 Ų023.7 Ų23.70%012%0.123CC..Hα-helixtrans-69.4-41.4176.9-55.7-67.2000112.7F148 L149 L154 T155 H156 S160 I161 L162 Y190F148-D158 WeakPolarHBondContact CB-OD1 3.37Å; F148-D158 HydrophobicContact CD1-CB 4.41Å; L149-D158 WeakPolarHBondContact CB-OD1 3.39Å; L149-D158 WeakPolarHBondContact CG-OD1 3.49Å; L149-D158 PolarHBondContact N-OD1 2.68Å; L154-D158 HydrophobicContact CD1-CB 3.51Å; L154-D158 HydrophobicContact CG-CB 4.13Å; T155-D158 PolarHBondContact N-OD2 3.36Å; T155-D158 PolarHBondContact O-N 3.4Å; T155-D158 PolarHBondContact OG1-N 2.95Å; T155-D158 PolarHBondContact OG1-OD2 2.99Å; H156-D158 VanDerWaalsContact C-N 3.33Å; H156-D158 PolarHBondContact O-N 3.44Å; D158-S160 PolarHBondContact O-N 3.1Å; D158-I161 PolarHBondContact O-N 3.17Å; D158-L162 HydrophobicContact CB-CD1 4.29Å; D158-L162 WeakPolarHBondContact O-CB 3.39Å; D158-L162 PolarHBondContact O-N 3.25Å; D158-Y190 WeakPolarHBondContact CA-OH 3.25Å; D158-Y190 VanDerWaalsContact OD1-CE2 3.25Å; D158-Y190 WeakPolarHBondContact OD1-CE2 3.38Å; D158-Y190 PolarHBondContact OD1-OH 3.31Å
159C98.8Very high98.1Very high0 Ų024.1 Ų24.10%013%0.125CC..Hα-helixtrans-56.4-31.4171.9-67.60000111.7Q31 M34 V35 T155 H156 P163Q31-C159 VanDerWaalsContact CA-O 3.23Å; Q31-C159 WeakPolarHBondContact CA-O 3.36Å; Q31-C159 VanDerWaalsContact CB-O 3.28Å; Q31-C159 WeakPolarHBondContact CB-O 3.09Å; Q31-C159 HydrophobicContact CG-CB 4.32Å; M34-C159 HydrophobicContact CB-CB 4.02Å; M34-C159 HydrophobicContact CE-CB 4.49Å; V35-C159 HydrophobicContact CG2-CB 4.03Å; T155-C159 PolarHBondContact O-N 2.89Å; T155-C159 PolarHBondContact O-SG 3.42Å; T155-C159 VanDerWaalsContact O-SG 3.4Å; H156-C159 PolarHBondContact O-N 3.13Å; C159-P163 WeakPolarHBondContact O-CD 3.48Å; C159-P163 WeakPolarHBondContact O-CG 3.31Å
160S98.5Very high98.2Very high13 Ų1324.7 Ų24.79%0.09113%0.128CC..Hα-helixtrans-83.2-43.7175.4-160.50000113.2Q31 H156 L157 D158 K164Q31-S160 PolarHBondContact OE1-OG 3.34Å; H156-S160 PolarHBondContact O-N 3.17Å; L157-S160 PolarHBondContact O-N 3Å; D158-S160 PolarHBondContact O-N 3.1Å; S160-K164 VanDerWaalsContact O-CD 3.25Å; S160-K164 WeakPolarHBondContact O-CD 3.36Å; S160-K164 VanDerWaalsContact O-CG 3.24Å; S160-K164 WeakPolarHBondContact O-CG 3.19Å; S160-K164 PolarHBondContact OG-NZ 2.91Å
161I98.6Very high98.2Very high8 Ų822.9 Ų22.94%0.04112%0.115CC..Hα-helixtrans-84.3-37.6-168.4-61.7-55000112.9V109 L112 L149 L157 D158 K164 L165 Y190V109-I161 HydrophobicContact CB-CD1 3.62Å; V109-I161 HydrophobicContact CB-CG1 3.84Å; V109-I161 HydrophobicContact CG1-CD1 4.3Å; V109-I161 HydrophobicContact CG1-CG1 4.02Å; V109-I161 HydrophobicContact CG1-CG2 4.39Å; V109-I161 HydrophobicContact CG2-CD1 3.77Å; V109-I161 HydrophobicContact CG2-CG1 3.87Å; L112-I161 HydrophobicContact CD2-CG2 4.37Å; L149-I161 HydrophobicContact CD1-CB 3.92Å; L149-I161 HydrophobicContact CD1-CG1 3.9Å; L149-I161 HydrophobicContact CD1-CG2 4.18Å; L157-I161 HydrophobicContact CG-CG1 4.43Å; L157-I161 WeakPolarHBondContact O-CB 3.36Å; L157-I161 VanDerWaalsContact O-CG1 3.25Å; L157-I161 WeakPolarHBondContact O-CG1 3.28Å; L157-I161 PolarHBondContact O-N 2.99Å; D158-I161 PolarHBondContact O-N 3.17Å; I161-K164 HydrophobicContact CD1-CD 4.41Å; I161-K164 PolarHBondContact O-N 3.07Å; I161-L165 VanDerWaalsContact O-CB 3.25Å; I161-L165 WeakPolarHBondContact O-CB 3.31Å; I161-L165 PolarHBondContact O-N 2.86Å; I161-Y190 HydrophobicContact CG2-CE1 4.05Å
162L98.8Very high98.2Very high1 Ų122 Ų221%0.00511%0.106CC..Hα-helixtrans-58.7-49.4177.7-74.4168.6000112.3M34 F148 L154 D158 K164 L165 H166 Y190 F200M34-L162 HydrophobicContact CE-CD1 4.28Å; F148-L162 HydrophobicContact CD1-CD1 4.38Å; F148-L162 HydrophobicContact CE1-CD1 4.09Å; L154-L162 HydrophobicContact CD1-CD1 4.09Å; D158-L162 HydrophobicContact CB-CD1 4.29Å; D158-L162 WeakPolarHBondContact O-CB 3.39Å; D158-L162 PolarHBondContact O-N 3.25Å; L162-K164 PolarHBondContact O-N 3.2Å; L162-L165 PolarHBondContact O-N 3.37Å; L162-H166 WeakPolarHBondContact O-CB 3.42Å; L162-H166 PolarHBondContact O-N 3.08Å; L162-Y190 HydrophobicContact CD2-CD1 3.84Å; L162-Y190 HydrophobicContact CD2-CE1 3.45Å; L162-Y190 VanDerWaalsContact CD2-CE1 3.45Å; L162-Y190 HydrophobicContact CD2-CE2 4.22Å; L162-Y190 HydrophobicContact CD2-CG 4.36Å; L162-Y190 HydrophobicContact CG-CE1 3.86Å; L162-Y190 HydrophobicContact CG-CE2 4.44Å; L162-F200 HydrophobicContact CB-CD2 3.71Å; L162-F200 HydrophobicContact CB-CE2 3.75Å; L162-F200 HydrophobicContact CD1-CD2 4.37Å
163P98.9Very high98.2Very high0 Ų020 Ų200%09%0.093CC..Hα-helixtrans-57.8-44.9174.8-30.339.8000113.4P27 Q30 M34 C159 H166 N167P27-P163 HydrophobicContact CB-CB 3.92Å; P27-P163 WeakPolarHBondContact O-CB 3.23Å; Q30-P163 HydrophobicContact CB-CB 3.98Å; Q30-P163 HydrophobicContact CB-CG 4Å; Q30-P163 HydrophobicContact CG-CB 4.08Å; Q30-P163 HydrophobicContact CG-CG 3.74Å; Q30-P163 VanDerWaalsContact OE1-CB 3.32Å; M34-P163 HydrophobicContact SD-CG 3.66Å; C159-P163 WeakPolarHBondContact O-CD 3.48Å; C159-P163 WeakPolarHBondContact O-CG 3.31Å; P163-H166 PolarHBondContact O-N 3.21Å; P163-N167 WeakPolarHBondContact O-CB 3.36Å; P163-N167 PolarHBondContact O-N 3Å; P163-N167 PolarHBondContact O-ND2 3.18Å
164K98.8Very high98.2Very high39 Ų3914.8 Ų14.817%0.177%0.069CC..Hα-helixtrans-63.8-45.1-179.6-74.5172.5-178.7164.60111.4P27 F113 S160 I161 L162 N167 I168P27-K164 HydrophobicContact CB-CG 4.05Å; P27-K164 HydrophobicContact CG-CG 4.48Å; F113-K164 HydrophobicContact CB-CD 3.93Å; F113-K164 HydrophobicContact CB-CG 4.45Å; F113-K164 HydrophobicContact CD1-CD 4.2Å; F113-K164 HydrophobicContact CD1-CG 4.35Å; F113-K164 HydrophobicContact CD2-CB 3.55Å; F113-K164 HydrophobicContact CD2-CD 4.02Å; F113-K164 HydrophobicContact CD2-CG 3.59Å; F113-K164 HydrophobicContact CE1-CG 4.5Å; F113-K164 HydrophobicContact CE2-CB 3.9Å; F113-K164 HydrophobicContact CE2-CG 3.76Å; F113-K164 HydrophobicContact CG-CB 4.21Å; F113-K164 HydrophobicContact CG-CD 3.8Å; F113-K164 HydrophobicContact CG-CG 3.89Å; F113-K164 HydrophobicContact CZ-CG 4.21Å; S160-K164 VanDerWaalsContact O-CD 3.25Å; S160-K164 WeakPolarHBondContact O-CD 3.36Å; S160-K164 VanDerWaalsContact O-CG 3.24Å; S160-K164 WeakPolarHBondContact O-CG 3.19Å; S160-K164 PolarHBondContact OG-NZ 2.91Å; I161-K164 HydrophobicContact CD1-CD 4.41Å; I161-K164 PolarHBondContact O-N 3.07Å; L162-K164 PolarHBondContact O-N 3.2Å; K164-N167 WeakPolarHBondContact O-CB 3.46Å; K164-N167 PolarHBondContact O-N 3.45Å; K164-I168 VanDerWaalsContact O-CG1 3.26Å; K164-I168 WeakPolarHBondContact O-CG1 3.13Å; K164-I168 PolarHBondContact O-N 3.18Å
165L98.8Very high98Very high0 Ų015 Ų150%07%0.069CC..Hα-helixtrans-69-37.6179.9-173.761.3000112.1L112 L134 L137 I161 L162 I168 R169 I180 V187 Y190 L191L112-L165 HydrophobicContact CD2-CD1 4.45Å; L134-L165 HydrophobicContact CD2-CD1 3.77Å; L137-L165 HydrophobicContact CD2-CD1 4.49Å; L137-L165 HydrophobicContact CD2-CD2 4.18Å; I161-L165 VanDerWaalsContact O-CB 3.25Å; I161-L165 WeakPolarHBondContact O-CB 3.31Å; I161-L165 PolarHBondContact O-N 2.86Å; L162-L165 PolarHBondContact O-N 3.37Å; L165-I168 HydrophobicContact CD1-CD1 4.48Å; L165-I168 WeakPolarHBondContact O-CB 3.46Å; L165-I168 PolarHBondContact O-N 3.26Å; L165-R169 PolarHBondContact O-N 2.87Å; L165-I180 HydrophobicContact CD1-CD1 4.43Å; L165-V187 HydrophobicContact CD1-CG1 4.29Å; L165-V187 HydrophobicContact CD2-CG1 4.15Å; L165-Y190 HydrophobicContact CD2-CD1 3.85Å; L165-Y190 HydrophobicContact CD2-CE1 4.27Å; L165-L191 HydrophobicContact CB-CD2 4.23Å; L165-L191 HydrophobicContact CD2-CD1 4.3Å; L165-L191 HydrophobicContact CD2-CD2 3.84Å; L165-L191 HydrophobicContact CD2-CG 3.74Å; L165-L191 HydrophobicContact CG-CD1 4.21Å; L165-L191 HydrophobicContact CG-CD2 3.82Å; L165-L191 HydrophobicContact CG-CG 4.04Å
166H98.8Very high97.8Very high0 Ų015.9 Ų15.90%07%0.072CC..Hα-helixtrans-66.1-40.4172.8-173.759.6000112L162 P163 I168 R169 L170 Y195 F200 T239L162-H166 WeakPolarHBondContact O-CB 3.42Å; L162-H166 PolarHBondContact O-N 3.08Å; P163-H166 PolarHBondContact O-N 3.21Å; H166-I168 VanDerWaalsContact C-N 3.35Å; H166-I168 PolarHBondContact O-N 3.28Å; H166-R169 WeakPolarHBondContact O-CB 3.43Å; H166-R169 PolarHBondContact O-N 3.49Å; H166-L170 PolarHBondContact O-N 2.85Å; H166-Y195 AromaticContact CE1-CE1 3.88Å; H166-Y195 AromaticContact ND1-CE1 3.47Å; H166-Y195 WeakPolarHBondContact ND1-CE1 3.35Å; H166-Y195 AromaticContact ND1-CZ 3.67Å; H166-Y195 PolarHBondContact ND1-OH 2.83Å; H166-F200 HydrophobicContact CB-CE2 4.43Å; H166-F200 HydrophobicContact CB-CZ 3.86Å; H166-F200 AromaticContact CG-CZ 3.91Å; H166-T239 PolarHBondContact CE1-O 2.76Å; H166-T239 VanDerWaalsContact CE1-O 3.24Å
167N98.6Very high97.6Very high0 Ų022.7 Ų22.70%010%0.104CC..Hα-helixtrans-59.3-45171.3-90.7-108.7000111.8G25 P163 K164 R169 L170 A171 I210 W214G25-N167 PolarHBondContact O-OD1 3.49Å; P163-N167 WeakPolarHBondContact O-CB 3.36Å; P163-N167 PolarHBondContact O-N 3Å; P163-N167 PolarHBondContact O-ND2 3.18Å; K164-N167 WeakPolarHBondContact O-CB 3.46Å; K164-N167 PolarHBondContact O-N 3.45Å; N167-R169 PolarHBondContact O-N 2.92Å; N167-L170 PolarHBondContact O-N 3.22Å; N167-A171 WeakPolarHBondContact O-CB 3.32Å; N167-A171 PolarHBondContact O-N 3.1Å; N167-I210 HydrophobicContact CB-CG2 4.46Å; N167-I210 WeakPolarHBondContact OD1-CG2 3.38Å; N167-W214 PolarHBondContact OD1-NE1 3.21Å
168I98.5Very high97.5Very high0 Ų022.5 Ų22.50%010%0.101CC..Hα-helixtrans-53.8-55.5174.3-70.8166.1000109.1L112 F116 L130 K164 L165 H166 L170 A171 V172 I180L112-I168 HydrophobicContact CD1-CD1 4.2Å; L112-I168 HydrophobicContact CD2-CD1 4.45Å; L112-I168 HydrophobicContact CG-CD1 4.01Å; F116-I168 HydrophobicContact CB-CD1 3.84Å; F116-I168 HydrophobicContact CB-CG1 3.67Å; F116-I168 HydrophobicContact CD1-CD1 4.42Å; F116-I168 HydrophobicContact CD1-CG1 3.65Å; F116-I168 HydrophobicContact CD2-CB 4.36Å; F116-I168 HydrophobicContact CD2-CG1 3.78Å; F116-I168 HydrophobicContact CD2-CG2 4.37Å; F116-I168 HydrophobicContact CE1-CG1 4.12Å; F116-I168 HydrophobicContact CE2-CG1 4.3Å; F116-I168 HydrophobicContact CG-CB 4.46Å; F116-I168 HydrophobicContact CG-CD1 4.16Å; F116-I168 HydrophobicContact CG-CG1 3.43Å; F116-I168 VanDerWaalsContact CG-CG1 3.43Å; F116-I168 HydrophobicContact CZ-CG1 4.46Å; L130-I168 HydrophobicContact CD1-CD1 4.49Å; L130-I168 HydrophobicContact CD1-CG2 4.4Å; L130-I168 HydrophobicContact CD2-CG2 4.33Å; K164-I168 VanDerWaalsContact O-CG1 3.26Å; K164-I168 WeakPolarHBondContact O-CG1 3.13Å; K164-I168 PolarHBondContact O-N 3.18Å; L165-I168 HydrophobicContact CD1-CD1 4.48Å; L165-I168 WeakPolarHBondContact O-CB 3.46Å; L165-I168 PolarHBondContact O-N 3.26Å; H166-I168 VanDerWaalsContact C-N 3.35Å; H166-I168 PolarHBondContact O-N 3.28Å; I168-L170 VanDerWaalsContact C-N 3.33Å; I168-L170 PolarHBondContact O-N 3.29Å; I168-A171 PolarHBondContact O-N 3.04Å; I168-V172 HydrophobicContact CG2-CG1 4.3Å; I168-V172 HydrophobicContact CG2-CG2 4.41Å; I168-V172 WeakPolarHBondContact O-CG2 3.08Å; I168-V172 PolarHBondContact O-N 2.89Å; I168-I180 HydrophobicContact CG2-CD1 4.35Å
169R98.5Very high97.4Very high14 Ų1428.9 Ų28.95%0.05313%0.129CC..Hα-helixtrans-48.3-52.4-178.4179.1-171.5174.5173.98.2112.1L165 H166 N167 E173 I180 W188 Y195 T239 S241L165-R169 PolarHBondContact O-N 2.87Å; H166-R169 WeakPolarHBondContact O-CB 3.43Å; H166-R169 PolarHBondContact O-N 3.49Å; N167-R169 PolarHBondContact O-N 2.92Å; R169-E173 WeakPolarHBondContact O-CB 3.38Å; R169-I180 HydrophobicContact CB-CD1 3.9Å; R169-I180 HydrophobicContact CG-CD1 4.44Å; R169-W188 HydrophobicContact CG-CH2 4.32Å; R169-Y195 WeakPolarHBondContact CD-OH 3.25Å; R169-Y195 VanDerWaalsContact NH1-CZ 3.32Å; R169-Y195 PolarHBondContact NH1-OH 2.82Å; R169-T239 PolarHBondContact NH1-O 3.44Å; R169-S241 VanDerWaalsContact CZ-O 3.23Å; R169-S241 PolarHBondContact NH1-O 3.2Å; R169-S241 PolarHBondContact NH2-O 3.07Å
170L98.3Very high97.4Very high12 Ų1229.3 Ų29.36%0.06313%0.131CC..Hα-helixtrans-74.9-46-174.8-58.4-176.4000112.6H166 N167 I168 E173 Y174 D207 I210 L211 T239H166-L170 PolarHBondContact O-N 2.85Å; N167-L170 PolarHBondContact O-N 3.22Å; I168-L170 VanDerWaalsContact C-N 3.33Å; I168-L170 PolarHBondContact O-N 3.29Å; L170-E173 PolarHBondContact O-N 3.43Å; L170-Y174 WeakPolarHBondContact O-CB 3.28Å; L170-Y174 PolarHBondContact O-N 3.25Å; L170-D207 HydrophobicContact CD1-CB 4.03Å; L170-D207 WeakPolarHBondContact CD1-OD1 3.45Å; L170-I210 HydrophobicContact CB-CG2 4.29Å; L170-I210 HydrophobicContact CD1-CB 4.25Å; L170-I210 HydrophobicContact CD1-CD1 3.75Å; L170-I210 HydrophobicContact CD1-CG2 4.13Å; L170-L211 HydrophobicContact CB-CD2 4.34Å; L170-T239 HydrophobicContact CD2-CG2 3.85Å
171A97.2Very high97.3Very high0 Ų031 Ų310%014%0.142CC..Hα-helixtrans-67.4-45-173.300000111.7F116 I120 N167 I168 E173 Y174 F175 W214F116-A171 HydrophobicContact CE2-CB 3.96Å; F116-A171 HydrophobicContact CZ-CB 3.79Å; I120-A171 HydrophobicContact CD1-CB 4.19Å; N167-A171 WeakPolarHBondContact O-CB 3.32Å; N167-A171 PolarHBondContact O-N 3.1Å; I168-A171 PolarHBondContact O-N 3.04Å; A171-E173 VanDerWaalsContact C-N 3.34Å; A171-E173 PolarHBondContact O-N 3.44Å; A171-Y174 PolarHBondContact O-N 3.5Å; A171-F175 HydrophobicContact CB-CD2 4.24Å; A171-F175 WeakPolarHBondContact O-CB 3.47Å; A171-F175 WeakPolarHBondContact O-CD2 3.46Å; A171-F175 PolarHBondContact O-N 3.47Å; A171-W214 HydrophobicContact CB-CB 4.4Å; A171-W214 HydrophobicContact CB-CG 3.95Å
172V96.2Very high97.2Very high0 Ų032.6 Ų32.60%015%0.154CC..Hα-helixtrans-69.3-33.6-179.9-58.10000112.3F116 Y119 L130 I168 K176 H177 Y178F116-V172 HydrophobicContact CD2-CG1 3.71Å; F116-V172 HydrophobicContact CE2-CG1 3.66Å; Y119-V172 HydrophobicContact CD1-CG1 4.15Å; Y119-V172 HydrophobicContact CE1-CG1 4.3Å; L130-V172 HydrophobicContact CD2-CG1 4Å; I168-V172 HydrophobicContact CG2-CG1 4.3Å; I168-V172 HydrophobicContact CG2-CG2 4.41Å; I168-V172 WeakPolarHBondContact O-CG2 3.08Å; I168-V172 PolarHBondContact O-N 2.89Å; V172-K176 CarbonylContact O-C 3.43Å; V172-K176 WeakPolarHBondContact O-CA 2.91Å; V172-K176 VanDerWaalsContact O-CB 3.26Å; V172-K176 WeakPolarHBondContact O-CB 3.33Å; V172-K176 PolarHBondContact O-N 3Å; V172-H177 PolarHBondContact O-N 2.64Å; V172-Y178 CarbonylContact C-O 3.6Å; V172-Y178 VanDerWaalsContact C-O 3.24Å; V172-Y178 HydrophobicContact CB-CD1 3.9Å; V172-Y178 HydrophobicContact CG2-CD1 3.62Å; V172-Y178 HydrophobicContact CG2-CE1 4.28Å; V172-Y178 WeakPolarHBondContact CG2-O 3.49Å; V172-Y178 PolarHBondContact O-N 3.01Å; V172-Y178 VanDerWaalsContact O-N 3.14Å
173E96.8Very high97.1Very high68 Ų6835.6 Ų35.632%0.31819%0.185SC..Hα-helixtrans-66.6-42.7175.8-176.9164.3-164.100110.9R169 L170 A171 H177 Y178 K179R169-E173 WeakPolarHBondContact O-CB 3.38Å; L170-E173 PolarHBondContact O-N 3.43Å; A171-E173 VanDerWaalsContact C-N 3.34Å; A171-E173 PolarHBondContact O-N 3.44Å; E173-H177 WeakPolarHBondContact O-CA 3.44Å; E173-H177 PolarHBondContact O-N 2.93Å; E173-Y178 WeakPolarHBondContact CA-O 3.34Å; E173-Y178 PolarHBondContact N-O 2.98Å; E173-Y178 VanDerWaalsContact N-O 3.11Å; E173-K179 HydrophobicContact CG-CG 4.23Å; E173-K179 WeakPolarHBondContact OE1-CE 3.28Å; E173-K179 IonicContact OE1-NZ 3.22Å; E173-K179 PolarHBondContact OE1-NZ 3.27Å
174Y95.7Very high97.1Very high70 Ų7036.2 Ų36.228%0.27519%0.188SC..Hα-helixtrans-75.6-48.7-177.3-168.4-102.5000113.5L170 A171 L211 L223 R230 L231L170-Y174 WeakPolarHBondContact O-CB 3.28Å; L170-Y174 PolarHBondContact O-N 3.25Å; A171-Y174 PolarHBondContact O-N 3.5Å; Y174-L211 VanDerWaalsContact CB-CD2 3.47Å; Y174-L211 HydrophobicContact CD1-CD1 4.08Å; Y174-L211 HydrophobicContact CD1-CD2 3.92Å; Y174-L211 HydrophobicContact CD1-CG 4.43Å; Y174-L211 HydrophobicContact CD2-CD1 3.79Å; Y174-L211 HydrophobicContact CE1-CD1 4.34Å; Y174-L211 HydrophobicContact CE2-CD1 4.13Å; Y174-L211 HydrophobicContact CG-CD1 3.79Å; Y174-L211 HydrophobicContact CG-CD2 3.73Å; Y174-L211 HydrophobicContact CG-CG 4.34Å; Y174-L223 HydrophobicContact CE1-CD1 4.29Å; Y174-L223 HydrophobicContact CE1-CD2 3.7Å; Y174-R230 PolarHBondContact OH-NH2 2.82Å; Y174-L231 HydrophobicContact CE1-CD1 4.13Å
175F94.5Very high97Very high26 Ų2636.3 Ų36.311%0.11419%0.194CC..Hα-helixtrans-91.1-23.2-172.2-66.1-75.8000114.2I120 A171 L211 W214 L223I120-F175 HydrophobicContact CD1-CB 3.74Å; I120-F175 HydrophobicContact CD1-CD2 4.06Å; I120-F175 HydrophobicContact CD1-CG 4.23Å; A171-F175 HydrophobicContact CB-CD2 4.24Å; A171-F175 WeakPolarHBondContact O-CB 3.47Å; A171-F175 WeakPolarHBondContact O-CD2 3.46Å; A171-F175 PolarHBondContact O-N 3.47Å; F175-L211 HydrophobicContact CE2-CD2 4.02Å; F175-L211 WeakPolarHBondContact CZ-O 3.34Å; F175-W214 HydrophobicContact CE2-CB 3.87Å; F175-W214 HydrophobicContact CZ-CB 4.47Å; F175-L223 HydrophobicContact CD1-CD2 4.46Å; F175-L223 HydrophobicContact CE1-CD1 4.29Å; F175-L223 HydrophobicContact CE1-CD2 3.76Å; F175-L223 HydrophobicContact CE1-CG 3.86Å; F175-L223 HydrophobicContact CZ-CD1 4.38Å; F175-L223 HydrophobicContact CZ-CG 4.42Å
176K94.1Very high96.9Very high29 Ų2936.3 Ų36.313%0.12619%0.194CC..Hα-helixtrans-119.3-3.7-174.5-59-67.1-164.51460113.5Y119 I120 E122 V172 Y178Y119-K176 HydrophobicContact CD1-CG 4.39Å; Y119-K176 HydrophobicContact CE1-CB 3.95Å; Y119-K176 HydrophobicContact CE1-CD 4.47Å; Y119-K176 HydrophobicContact CE1-CG 3.78Å; Y119-K176 HydrophobicContact CE2-CD 4.36Å; Y119-K176 WeakPolarHBondContact O-CE 3.23Å; Y119-K176 PolarHBondContact O-NZ 3.22Å; I120-K176 HydrophobicContact CD1-CG 4.14Å; E122-K176 WeakPolarHBondContact OE1-CE 3.21Å; E122-K176 IonicContact OE1-NZ 2.86Å; E122-K176 PolarHBondContact OE1-NZ 3.4Å; E122-K176 IonicContact OE2-NZ 2.74Å; E122-K176 PolarHBondContact OE2-NZ 2.95Å; V172-K176 CarbonylContact O-C 3.43Å; V172-K176 WeakPolarHBondContact O-CA 2.91Å; V172-K176 VanDerWaalsContact O-CB 3.26Å; V172-K176 WeakPolarHBondContact O-CB 3.33Å; V172-K176 PolarHBondContact O-N 3Å; K176-Y178 PolarHBondContact O-N 3.21Å
177H94.5Very high96.9Very high168 Ų16836.3 Ų36.378%0.77819%0.194SC*.  trans52.226.7-171.3-53.1-58.9000112.9V172 E173V172-H177 PolarHBondContact O-N 2.64Å; E173-H177 WeakPolarHBondContact O-CA 3.44Å; E173-H177 PolarHBondContact O-N 2.93Å
178Y95.9Very high96.9Very high25 Ų2536.6 Ų36.610%0.09820%0.195CC..  trans-102.3133.3179.6171-92.8000108.7Y119 P127 L130 E131 V172 E173 K176 P181Y119-Y178 HydrophobicContact CE1-CD1 4.48Å; Y119-Y178 HydrophobicContact CE1-CG 4.4Å; P127-Y178 HydrophobicContact CB-CD2 3.97Å; P127-Y178 HydrophobicContact CB-CE2 3.83Å; P127-Y178 HydrophobicContact CG-CD2 4.01Å; P127-Y178 HydrophobicContact CG-CE2 3.98Å; L130-Y178 HydrophobicContact CD2-CE1 4.45Å; E131-Y178 HydrophobicContact CG-CE2 4.25Å; E131-Y178 VanDerWaalsContact CG-OH 3.25Å; E131-Y178 WeakPolarHBondContact CG-OH 3.31Å; V172-Y178 CarbonylContact C-O 3.6Å; V172-Y178 VanDerWaalsContact C-O 3.24Å; V172-Y178 HydrophobicContact CB-CD1 3.9Å; V172-Y178 HydrophobicContact CG2-CD1 3.62Å; V172-Y178 HydrophobicContact CG2-CE1 4.28Å; V172-Y178 WeakPolarHBondContact CG2-O 3.49Å; V172-Y178 PolarHBondContact O-N 3.01Å; V172-Y178 VanDerWaalsContact O-N 3.14Å; E173-Y178 WeakPolarHBondContact CA-O 3.34Å; E173-Y178 PolarHBondContact N-O 2.98Å; E173-Y178 VanDerWaalsContact N-O 3.11Å; K176-Y178 PolarHBondContact O-N 3.21Å; Y178-P181 WeakPolarHBondContact OH-CD 3.47Å
179K97Very high96.8Very high134 Ų13439 Ų3958%0.58320%0.204SC*.  trans-109.2142.1174.8-60.4-170.2-175.5-143.80109.1E173 P181E173-K179 HydrophobicContact CG-CG 4.23Å; E173-K179 WeakPolarHBondContact OE1-CE 3.28Å; E173-K179 IonicContact OE1-NZ 3.22Å; E173-K179 PolarHBondContact OE1-NZ 3.27Å; K179-P181 WeakPolarHBondContact O-CD 3.39Å
180I98Very high96.8Very high8 Ų838.5 Ų38.54%0.04120%0.202CC..  trans-56.1124166.7-62.2177.9000107L134 L165 I168 R169 S182 L184 V187 W188L134-I180 HydrophobicContact CD1-CG1 4.38Å; L165-I180 HydrophobicContact CD1-CD1 4.43Å; I168-I180 HydrophobicContact CG2-CD1 4.35Å; R169-I180 HydrophobicContact CB-CD1 3.9Å; R169-I180 HydrophobicContact CG-CD1 4.44Å; I180-S182 PolarHBondContact O-N 2.87Å; I180-L184 HydrophobicContact CG2-CD1 4.1Å; I180-V187 HydrophobicContact CG2-CG1 4.17Å; I180-W188 HydrophobicContact CB-CH2 4.31Å; I180-W188 HydrophobicContact CB-CZ2 3.71Å; I180-W188 HydrophobicContact CG2-CZ2 3.95Å; I180-W188 WeakPolarHBondContact O-CZ2 3.41Å
181P97.2Very high96.8Very high50 Ų5037.9 Ų37.933%0.32520%0.199SC..  trans-57.6135-176.5-25.432.6000111.5Y178 K179 G183 L184 W188Y178-P181 WeakPolarHBondContact OH-CD 3.47Å; K179-P181 WeakPolarHBondContact O-CD 3.39Å; P181-G183 PolarHBondContact O-N 2.92Å; P181-L184 HydrophobicContact CB-CG 4.23Å; P181-L184 HydrophobicContact CG-CD1 4.36Å; P181-L184 PolarHBondContact O-N 2.74Å; P181-L184 VanDerWaalsContact O-N 3.14Å; P181-W188 PolarHBondContact O-NE1 2.83Å
182S96.8Very high96.9Very high40 Ų4039.7 Ų39.728%0.2821%0.208SC..THydrogen-bonded Turntrans-64.9-25.5-178.340.30000113.7I180 L184 D245I180-S182 PolarHBondContact O-N 2.87Å; S182-L184 PolarHBondContact O-N 3.45Å; S182-D245 WeakPolarHBondContact CB-OD2 3.3Å; S182-D245 PolarHBondContact OG-OD2 3.48Å
183G96.7Very high97Very high64 Ų6440.2 Ų40.266%0.6621%0.213SC*.THydrogen-bonded Turntrans-69.2-8.5174.300000115.3P181 S185P181-G183 PolarHBondContact O-N 2.92Å; G183-S185 PolarHBondContact O-N 3.34Å
184L97.7Very high97.1Very high14 Ų1437 Ų377%0.07320%0.198CC..  trans-81.266.8172.2-58-176.5000110.1L134 K135 D138 I180 P181 S182 G186 V187 W188L134-L184 HydrophobicContact CB-CD1 3.81Å; K135-L184 HydrophobicContact CG-CD2 3.97Å; D138-L184 HydrophobicContact CB-CB 4.27Å; D138-L184 HydrophobicContact CB-CD2 4.01Å; D138-L184 VanDerWaalsContact OD1-CA 3.28Å; D138-L184 WeakPolarHBondContact OD1-CA 3.35Å; I180-L184 HydrophobicContact CG2-CD1 4.1Å; P181-L184 HydrophobicContact CB-CG 4.23Å; P181-L184 HydrophobicContact CG-CD1 4.36Å; P181-L184 PolarHBondContact O-N 2.74Å; P181-L184 VanDerWaalsContact O-N 3.14Å; S182-L184 PolarHBondContact O-N 3.45Å; L184-G186 VanDerWaalsContact C-N 3.33Å; L184-G186 PolarHBondContact O-N 2.92Å; L184-V187 HydrophobicContact CB-CB 4.08Å; L184-V187 HydrophobicContact CB-CG2 4.39Å; L184-V187 PolarHBondContact O-N 2.87Å; L184-W188 PolarHBondContact O-N 3.37Å
185S96.8Very high97.2Very high41 Ų4134.3 Ų34.329%0.28719%0.187SC..Hα-helixtrans-66-30.5-170.357.90000113.4D138 G183 W188 R189D138-S185 PolarHBondContact OD1-N 3.23Å; G183-S185 PolarHBondContact O-N 3.34Å; S185-W188 PolarHBondContact O-N 3.07Å; S185-R189 VanDerWaalsContact O-CB 3.24Å; S185-R189 WeakPolarHBondContact O-CB 3.42Å; S185-R189 PolarHBondContact O-N 2.89Å
186G97.6Very high97.3Very high0 Ų039.6 Ų39.60%021%0.212CC..Hα-helixtrans-65.4-47.5173.800000111.6D138 L141 L184 W188 R189 Y190D138-G186 VanDerWaalsContact OD1-CA 3.24Å; D138-G186 WeakPolarHBondContact OD1-CA 3.25Å; D138-G186 PolarHBondContact OD1-N 2.92Å; L141-G186 WeakPolarHBondContact CD1-O 3.32Å; L184-G186 VanDerWaalsContact C-N 3.33Å; L184-G186 PolarHBondContact O-N 2.92Å; G186-W188 VanDerWaalsContact C-N 3.33Å; G186-W188 PolarHBondContact O-N 3.35Å; G186-R189 PolarHBondContact O-N 3.4Å; G186-Y190 WeakPolarHBondContact O-CB 3.29Å; G186-Y190 PolarHBondContact O-N 2.76Å
187V98.3Very high97.5Very high0 Ų039 Ų390%021%0.212CC..Hα-helixtrans-58.1-45174.2165.50000111.1L137 D138 L141 L165 I180 L184 Y190 L191L137-V187 HydrophobicContact CB-CG2 4.43Å; L137-V187 HydrophobicContact CD2-CG2 4.13Å; L137-V187 HydrophobicContact CG-CG2 4.04Å; D138-V187 HydrophobicContact CB-CG2 3.76Å; D138-V187 PolarHBondContact OD1-N 2.71Å; L141-V187 HydrophobicContact CD1-CG2 4.28Å; L165-V187 HydrophobicContact CD1-CG1 4.29Å; L165-V187 HydrophobicContact CD2-CG1 4.15Å; I180-V187 HydrophobicContact CG2-CG1 4.17Å; L184-V187 HydrophobicContact CB-CB 4.08Å; L184-V187 HydrophobicContact CB-CG2 4.39Å; L184-V187 PolarHBondContact O-N 2.87Å; V187-Y190 PolarHBondContact O-N 3.17Å; V187-L191 HydrophobicContact CG1-CD1 4.46Å; V187-L191 PolarHBondContact O-N 3.17Å
188W98.3Very high97.7Very high5 Ų535.3 Ų35.32%0.01920%0.197CC..Hα-helixtrans-69.6-38.9179.4-74.9117.6000113.3R169 I180 P181 L184 S185 G186 Y190 L191 N192 L242 P243 V246 I248R169-W188 HydrophobicContact CG-CH2 4.32Å; I180-W188 HydrophobicContact CB-CH2 4.31Å; I180-W188 HydrophobicContact CB-CZ2 3.71Å; I180-W188 HydrophobicContact CG2-CZ2 3.95Å; I180-W188 WeakPolarHBondContact O-CZ2 3.41Å; P181-W188 PolarHBondContact O-NE1 2.83Å; L184-W188 PolarHBondContact O-N 3.37Å; S185-W188 PolarHBondContact O-N 3.07Å; G186-W188 VanDerWaalsContact C-N 3.33Å; G186-W188 PolarHBondContact O-N 3.35Å; W188-Y190 VanDerWaalsContact C-N 3.29Å; W188-Y190 PolarHBondContact O-N 2.89Å; W188-L191 HydrophobicContact CE3-CB 4.49Å; W188-L191 HydrophobicContact CE3-CD1 3.78Å; W188-L191 HydrophobicContact CZ3-CD1 3.79Å; W188-L191 PolarHBondContact O-N 2.8Å; W188-N192 WeakPolarHBondContact O-CB 3.42Å; W188-N192 PolarHBondContact O-N 2.9Å; W188-L242 HydrophobicContact CE3-CD2 3.79Å; W188-L242 HydrophobicContact CZ3-CD2 4.44Å; W188-P243 HydrophobicContact CH2-CG 3.54Å; W188-P243 HydrophobicContact CZ2-CG 3.73Å; W188-P243 HydrophobicContact CZ3-CG 4.05Å; W188-V246 HydrophobicContact CB-CG1 3.48Å; W188-V246 VanDerWaalsContact CB-CG1 3.48Å; W188-V246 HydrophobicContact CD2-CG1 4.29Å; W188-V246 HydrophobicContact CD2-CG2 3.82Å; W188-V246 HydrophobicContact CG-CB 4.35Å; W188-V246 HydrophobicContact CG-CG1 3.61Å; W188-V246 HydrophobicContact CG-CG2 3.73Å; W188-V246 HydrophobicContact CZ2-CG2 4.36Å; W188-I248 HydrophobicContact CB-CG2 4.28Å
189R97.7Very high97.8Very high52 Ų5234.7 Ų34.720%0.19620%0.196CC..Hα-helixtrans-59.9-42.2172.8-173.6-174.669.9-143.2-1110.9L141 S185 G186 N192 A193 I248L141-R189 PolarHBondContact O-NH2 3.4Å; S185-R189 VanDerWaalsContact O-CB 3.24Å; S185-R189 WeakPolarHBondContact O-CB 3.42Å; S185-R189 PolarHBondContact O-N 2.89Å; G186-R189 PolarHBondContact O-N 3.4Å; R189-N192 WeakPolarHBondContact O-CB 3.34Å; R189-N192 PolarHBondContact O-N 3.21Å; R189-A193 PolarHBondContact O-N 3.07Å; R189-I248 HydrophobicContact CB-CG2 4.06Å
190Y98.4Very high97.9Very high2 Ų228.4 Ų28.41%0.00817%0.169CC..Hα-helixtrans-65.9-44.9176.9-178.7-113.5000112.9L141 F148 L149 D158 I161 L162 L165 G186 V187 W188 N192 A193 G194L141-Y190 HydrophobicContact CD1-CD1 4.34Å; L141-Y190 HydrophobicContact CD1-CG 4.07Å; L141-Y190 HydrophobicContact CD2-CD2 3.94Å; L141-Y190 HydrophobicContact CD2-CG 3.98Å; F148-Y190 HydrophobicContact CB-CE2 4.36Å; F148-Y190 HydrophobicContact CD1-CD2 4.49Å; F148-Y190 AromaticContact CD1-CE2 3.97Å; F148-Y190 HydrophobicContact CD1-CE2 3.97Å; L149-Y190 VanDerWaalsContact CD1-OH 3.31Å; L149-Y190 WeakPolarHBondContact CD1-OH 3.48Å; L149-Y190 HydrophobicContact CG-CE2 3.93Å; D158-Y190 WeakPolarHBondContact CA-OH 3.25Å; D158-Y190 VanDerWaalsContact OD1-CE2 3.25Å; D158-Y190 WeakPolarHBondContact OD1-CE2 3.38Å; D158-Y190 PolarHBondContact OD1-OH 3.31Å; I161-Y190 HydrophobicContact CG2-CE1 4.05Å; L162-Y190 HydrophobicContact CD2-CD1 3.84Å; L162-Y190 HydrophobicContact CD2-CE1 3.45Å; L162-Y190 VanDerWaalsContact CD2-CE1 3.45Å; L162-Y190 HydrophobicContact CD2-CE2 4.22Å; L162-Y190 HydrophobicContact CD2-CG 4.36Å; L162-Y190 HydrophobicContact CG-CE1 3.86Å; L162-Y190 HydrophobicContact CG-CE2 4.44Å; L165-Y190 HydrophobicContact CD2-CD1 3.85Å; L165-Y190 HydrophobicContact CD2-CE1 4.27Å; G186-Y190 WeakPolarHBondContact O-CB 3.29Å; G186-Y190 PolarHBondContact O-N 2.76Å; V187-Y190 PolarHBondContact O-N 3.17Å; W188-Y190 VanDerWaalsContact C-N 3.29Å; W188-Y190 PolarHBondContact O-N 2.89Å; Y190-N192 VanDerWaalsContact C-N 3.28Å; Y190-N192 PolarHBondContact O-N 3.24Å; Y190-A193 WeakPolarHBondContact O-CB 3.11Å; Y190-A193 PolarHBondContact O-N 3.08Å; Y190-G194 PolarHBondContact O-N 3.47Å
191L98.5Very high97.9Very high0 Ų029.4 Ų29.40%018%0.176CC..Hα-helixtrans-59.1-41171.3-81.1174.7000111.7L165 V187 W188 A193 G194 Y195L165-L191 HydrophobicContact CB-CD2 4.23Å; L165-L191 HydrophobicContact CD2-CD1 4.3Å; L165-L191 HydrophobicContact CD2-CD2 3.84Å; L165-L191 HydrophobicContact CD2-CG 3.74Å; L165-L191 HydrophobicContact CG-CD1 4.21Å; L165-L191 HydrophobicContact CG-CD2 3.82Å; L165-L191 HydrophobicContact CG-CG 4.04Å; V187-L191 HydrophobicContact CG1-CD1 4.46Å; V187-L191 PolarHBondContact O-N 3.17Å; W188-L191 HydrophobicContact CE3-CB 4.49Å; W188-L191 HydrophobicContact CE3-CD1 3.78Å; W188-L191 HydrophobicContact CZ3-CD1 3.79Å; W188-L191 PolarHBondContact O-N 2.8Å; L191-A193 PolarHBondContact O-N 3.1Å; L191-G194 PolarHBondContact O-N 3.14Å; L191-Y195 HydrophobicContact CB-CE2 3.94Å; L191-Y195 VanDerWaalsContact O-CD2 3.25Å; L191-Y195 WeakPolarHBondContact O-CD2 3.4Å; L191-Y195 PolarHBondContact O-N 3.13Å
192N98.1Very high98Very high37 Ų3732.1 Ų32.120%0.19818%0.179CC..Hα-helixtrans-62.5-41.6177.2-166.552.1000112.2W188 R189 Y190 G194 Y195 H196 L242 I248W188-N192 WeakPolarHBondContact O-CB 3.42Å; W188-N192 PolarHBondContact O-N 2.9Å; R189-N192 WeakPolarHBondContact O-CB 3.34Å; R189-N192 PolarHBondContact O-N 3.21Å; Y190-N192 VanDerWaalsContact C-N 3.28Å; Y190-N192 PolarHBondContact O-N 3.24Å; N192-G194 VanDerWaalsContact C-N 3.3Å; N192-G194 PolarHBondContact O-N 3.08Å; N192-Y195 PolarHBondContact O-N 3.14Å; N192-H196 PolarHBondContact O-N 3.23Å; N192-H196 VanDerWaalsContact O-N 3.07Å; N192-H196 PolarHBondContact O-ND1 2.98Å; N192-H196 PolarHBondContact OD1-CE1 3.24Å; N192-H196 PolarHBondContact OD1-ND1 3.4Å; N192-L242 HydrophobicContact CB-CD1 4.05Å; N192-L242 HydrophobicContact CB-CD2 4.08Å; N192-L242 HydrophobicContact CB-CG 4.39Å; N192-I248 HydrophobicContact CB-CD1 3.95Å; N192-I248 WeakPolarHBondContact ND2-CD1 3.2Å
193A98.1Very high98.1Very high11 Ų1130.4 Ų30.49%0.09117%0.167CC..Hα-helixtrans-60.1-40.8173.800000111.6K147 F148 R189 Y190 L191 H196 C197K147-A193 HydrophobicContact CG-CB 3.76Å; K147-A193 WeakPolarHBondContact O-CB 3.19Å; F148-A193 HydrophobicContact CE1-CB 4.18Å; R189-A193 PolarHBondContact O-N 3.07Å; Y190-A193 WeakPolarHBondContact O-CB 3.11Å; Y190-A193 PolarHBondContact O-N 3.08Å; L191-A193 PolarHBondContact O-N 3.1Å; A193-H196 CarbonylContact O-C 2.91Å; A193-H196 PolarHBondContact O-N 2.94Å; A193-C197 WeakPolarHBondContact O-CB 3.26Å; A193-C197 PolarHBondContact O-N 2.77Å
194G98.5Very high98.2Very high0 Ų027.7 Ų27.70%014%0.138CC..Hα-helixtrans-61.9-44.2171.700000113.1Y190 L191 N192 H196 C197 F200Y190-G194 PolarHBondContact O-N 3.47Å; L191-G194 PolarHBondContact O-N 3.14Å; N192-G194 VanDerWaalsContact C-N 3.3Å; N192-G194 PolarHBondContact O-N 3.08Å; G194-H196 PolarHBondContact O-N 3.42Å; G194-C197 WeakPolarHBondContact O-CB 3.47Å; G194-C197 PolarHBondContact O-N 2.71Å; G194-F200 WeakPolarHBondContact O-CB 3.45Å; G194-F200 VanDerWaalsContact O-CD1 3.29Å; G194-F200 WeakPolarHBondContact O-CD1 3.47Å
195Y98.3Very high98.2Very high14 Ų1427.4 Ų27.46%0.05514%0.137CC..Hα-helixtrans-66.6-22.1178.5-58.8-30.9000113.9H166 R169 L191 N192 F200 T201 R240 L242H166-Y195 AromaticContact CE1-CE1 3.88Å; H166-Y195 AromaticContact ND1-CE1 3.47Å; H166-Y195 WeakPolarHBondContact ND1-CE1 3.35Å; H166-Y195 AromaticContact ND1-CZ 3.67Å; H166-Y195 PolarHBondContact ND1-OH 2.83Å; R169-Y195 WeakPolarHBondContact CD-OH 3.25Å; R169-Y195 VanDerWaalsContact NH1-CZ 3.32Å; R169-Y195 PolarHBondContact NH1-OH 2.82Å; L191-Y195 HydrophobicContact CB-CE2 3.94Å; L191-Y195 VanDerWaalsContact O-CD2 3.25Å; L191-Y195 WeakPolarHBondContact O-CD2 3.4Å; L191-Y195 PolarHBondContact O-N 3.13Å; N192-Y195 PolarHBondContact O-N 3.14Å; Y195-F200 HydrophobicContact CD1-CD1 4.29Å; Y195-F200 AromaticContact CD1-CE1 3.69Å; Y195-F200 HydrophobicContact CD1-CE1 3.69Å; Y195-F200 HydrophobicContact CD1-CZ 4.46Å; Y195-F200 AromaticContact CE1-CE1 3.88Å; Y195-F200 HydrophobicContact CE1-CE1 3.88Å; Y195-F200 HydrophobicContact CE1-CZ 4.24Å; Y195-T201 VanDerWaalsContact O-CG2 3.26Å; Y195-T201 WeakPolarHBondContact O-CG2 3.46Å; Y195-R240 WeakPolarHBondContact CB-O 3.18Å; Y195-R240 HydrophobicContact CD1-CB 4.01Å; Y195-R240 HydrophobicContact CD1-CG 4.03Å; Y195-R240 WeakPolarHBondContact CD2-O 3.38Å; Y195-R240 HydrophobicContact CE1-CG 4.48Å; Y195-R240 HydrophobicContact CG-CB 3.98Å; Y195-R240 HydrophobicContact CG-CG 4.5Å; Y195-L242 HydrophobicContact CE2-CD2 4.38Å
196H97.6Very high98.3Very high138 Ų13825.7 Ų25.764%0.63913%0.125SC*.THydrogen-bonded Turntrans-98.110.3172.1-65.885000113.2N192 A193 G194N192-H196 PolarHBondContact O-N 3.23Å; N192-H196 VanDerWaalsContact O-N 3.07Å; N192-H196 PolarHBondContact O-ND1 2.98Å; N192-H196 PolarHBondContact OD1-CE1 3.24Å; N192-H196 PolarHBondContact OD1-ND1 3.4Å; A193-H196 CarbonylContact O-C 2.91Å; A193-H196 PolarHBondContact O-N 2.94Å; G194-H196 PolarHBondContact O-N 3.42Å
197C98.1Very high98.3Very high17 Ų1726.1 Ų26.112%0.11513%0.128CC..  trans-100.6117.5174.7-177.90000109.8F148 A193 G194 V199 F200 T201F148-C197 HydrophobicContact CZ-CB 4.37Å; A193-C197 WeakPolarHBondContact O-CB 3.26Å; A193-C197 PolarHBondContact O-N 2.77Å; G194-C197 WeakPolarHBondContact O-CB 3.47Å; G194-C197 PolarHBondContact O-N 2.71Å; C197-V199 VanDerWaalsContact C-N 3.31Å; C197-V199 PolarHBondContact O-N 2.81Å; C197-F200 HydrophobicContact CB-CB 4.12Å; C197-F200 PolarHBondContact O-N 2.81Å; C197-F200 VanDerWaalsContact O-N 3.1Å; C197-T201 WeakPolarHBondContact O-CG2 3.49Å; C197-T201 PolarHBondContact O-N 3.22Å; C197-T201 PolarHBondContact O-OG1 3.44Å
198D98.2Very high98.3Very high89 Ų8926.7 Ų26.748%0.47613%0.13SC..Hα-helixtrans-58-40.6-178.9-177.163000112.8F200 T201 R202D198-F200 VanDerWaalsContact C-N 3.32Å; D198-F200 PolarHBondContact O-N 2.91Å; D198-T201 WeakPolarHBondContact CA-OG1 3.07Å; D198-T201 PolarHBondContact O-N 3.49Å; D198-T201 PolarHBondContact O-OG1 3.04Å; D198-T201 VanDerWaalsContact O-OG1 3.13Å; D198-R202 WeakPolarHBondContact O-CB 3.08Å; D198-R202 WeakPolarHBondContact O-CG 3.44Å; D198-R202 PolarHBondContact O-N 3.31Å; D198-R202 WeakPolarHBondContact OD1-CD 3.22Å; D198-R202 WeakPolarHBondContact OD2-CD 3.39Å; D198-R202 IonicContact OD2-CZ 3.64Å; D198-R202 IonicContact OD2-NE 2.65Å; D198-R202 IonicContact OD2-NH1 3.81Å; D198-R202 PolarHBondContact OD2-NH1 2.71Å
199V98.7Very high98.3Very high13 Ų1326.7 Ų26.78%0.07913%0.13CC..Hα-helixtrans-55.8-45174.3169.10000111.8M34 L37 V38 L154 C197 S203M34-V199 HydrophobicContact CB-CG1 3.69Å; M34-V199 HydrophobicContact CE-CG1 4.11Å; M34-V199 HydrophobicContact CG-CG1 3.91Å; M34-V199 WeakPolarHBondContact O-CG1 3.46Å; L37-V199 HydrophobicContact CB-CG1 4.07Å; L37-V199 HydrophobicContact CB-CG2 4.29Å; L37-V199 HydrophobicContact CD1-CG1 4.45Å; L37-V199 VanDerWaalsContact CD1-O 3.28Å; L37-V199 WeakPolarHBondContact CD1-O 3.43Å; V38-V199 HydrophobicContact CG2-CB 4.49Å; V38-V199 HydrophobicContact CG2-CG1 3.92Å; V38-V199 HydrophobicContact CG2-CG2 3.89Å; L154-V199 HydrophobicContact CD2-CB 4.26Å; L154-V199 HydrophobicContact CD2-CG1 3.83Å; C197-V199 VanDerWaalsContact C-N 3.31Å; C197-V199 PolarHBondContact O-N 2.81Å; V199-S203 WeakPolarHBondContact O-CB 3.42Å; V199-S203 PolarHBondContact O-N 2.81Å; V199-S203 PolarHBondContact O-OG 2.61Å
200F98.8Very high98.3Very high1 Ų124.2 Ų24.20%0.00412%0.121CC..Hα-helixtrans-68.3-44.4177.4177.6-90.1000111.1Q30 M34 L162 H166 G194 Y195 C197 D198 S203 C204Q30-F200 VanDerWaalsContact NE2-CE2 3.35Å; M34-F200 HydrophobicContact CE-CB 4.01Å; M34-F200 HydrophobicContact CE-CD2 4.11Å; M34-F200 HydrophobicContact SD-CD2 3.93Å; L162-F200 HydrophobicContact CB-CD2 3.71Å; L162-F200 HydrophobicContact CB-CE2 3.75Å; L162-F200 HydrophobicContact CD1-CD2 4.37Å; H166-F200 HydrophobicContact CB-CE2 4.43Å; H166-F200 HydrophobicContact CB-CZ 3.86Å; H166-F200 AromaticContact CG-CZ 3.91Å; G194-F200 WeakPolarHBondContact O-CB 3.45Å; G194-F200 VanDerWaalsContact O-CD1 3.29Å; G194-F200 WeakPolarHBondContact O-CD1 3.47Å; Y195-F200 HydrophobicContact CD1-CD1 4.29Å; Y195-F200 AromaticContact CD1-CE1 3.69Å; Y195-F200 HydrophobicContact CD1-CE1 3.69Å; Y195-F200 HydrophobicContact CD1-CZ 4.46Å; Y195-F200 AromaticContact CE1-CE1 3.88Å; Y195-F200 HydrophobicContact CE1-CE1 3.88Å; Y195-F200 HydrophobicContact CE1-CZ 4.24Å; C197-F200 HydrophobicContact CB-CB 4.12Å; C197-F200 PolarHBondContact O-N 2.81Å; C197-F200 VanDerWaalsContact O-N 3.1Å; D198-F200 VanDerWaalsContact C-N 3.32Å; D198-F200 PolarHBondContact O-N 2.91Å; F200-S203 PolarHBondContact O-N 3.43Å; F200-S203 PolarHBondContact O-OG 3.12Å; F200-S203 VanDerWaalsContact O-OG 3.07Å; F200-C204 HydrophobicContact CE1-CB 4.17Å; F200-C204 HydrophobicContact CZ-CB 4.39Å; F200-C204 WeakPolarHBondContact O-CB 3.36Å; F200-C204 PolarHBondContact O-N 2.69Å
201T98.5Very high98.2Very high30 Ų3024.8 Ų24.818%0.18412%0.124CC..Hα-helixtrans-72.8-31.9-173.960.70000113.8Y195 C197 D198 R240Y195-T201 VanDerWaalsContact O-CG2 3.26Å; Y195-T201 WeakPolarHBondContact O-CG2 3.46Å; C197-T201 WeakPolarHBondContact O-CG2 3.49Å; C197-T201 PolarHBondContact O-N 3.22Å; C197-T201 PolarHBondContact O-OG1 3.44Å; D198-T201 WeakPolarHBondContact CA-OG1 3.07Å; D198-T201 PolarHBondContact O-N 3.49Å; D198-T201 PolarHBondContact O-OG1 3.04Å; D198-T201 VanDerWaalsContact O-OG1 3.13Å; T201-R240 PolarHBondContact O-NH1 3.45Å; T201-R240 PolarHBondContact O-NH2 3.02Å
202R98.3Very high98.1Very high106 Ų10624.9 Ų24.940%0.412%0.124SC..Hα-helixtrans-71.4-34.2173.5-77.7161.865.3-1631113.3L37 D41 D198L37-R202 HydrophobicContact CD1-CB 3.84Å; L37-R202 VanDerWaalsContact CD2-NH2 3.3Å; D41-R202 VanDerWaalsContact CG-NH1 3.3Å; D41-R202 IonicContact OD1-CZ 3.58Å; D41-R202 IonicContact OD1-NH1 3.82Å; D41-R202 PolarHBondContact OD1-NH1 3.23Å; D41-R202 IonicContact OD1-NH2 3.27Å; D41-R202 PolarHBondContact OD1-NH2 2.02Å; D41-R202 IonicContact OD2-CZ 3.3Å; D41-R202 IonicContact OD2-NH1 3.57Å; D41-R202 PolarHBondContact OD2-NH1 2.77Å; D198-R202 WeakPolarHBondContact O-CB 3.08Å; D198-R202 WeakPolarHBondContact O-CG 3.44Å; D198-R202 PolarHBondContact O-N 3.31Å; D198-R202 WeakPolarHBondContact OD1-CD 3.22Å; D198-R202 WeakPolarHBondContact OD2-CD 3.39Å; D198-R202 IonicContact OD2-CZ 3.64Å; D198-R202 IonicContact OD2-NE 2.65Å; D198-R202 IonicContact OD2-NH1 3.81Å; D198-R202 PolarHBondContact OD2-NH1 2.71Å
203S98.6Very high98Very high4 Ų423.5 Ų23.53%0.02812%0.117CC..Hα-helixtrans-86.8-23.9-179.457.40000114M34 V199 F200M34-S203 WeakPolarHBondContact CG-OG 3.43Å; V199-S203 WeakPolarHBondContact O-CB 3.42Å; V199-S203 PolarHBondContact O-N 2.81Å; V199-S203 PolarHBondContact O-OG 2.61Å; F200-S203 PolarHBondContact O-N 3.43Å; F200-S203 PolarHBondContact O-OG 3.12Å; F200-S203 VanDerWaalsContact O-OG 3.07Å
204C98.6Very high97.8Very high7 Ų723 Ų235%0.04711%0.112CC..PPolyproline II helixtrans-71.5122.8-173.1-171.60000112.4Q30 F200Q30-C204 VanDerWaalsContact NE2-CA 3.32Å; Q30-C204 VanDerWaalsContact NE2-CB 3.28Å; F200-C204 HydrophobicContact CE1-CB 4.17Å; F200-C204 HydrophobicContact CZ-CB 4.39Å; F200-C204 WeakPolarHBondContact O-CB 3.36Å; F200-C204 PolarHBondContact O-N 2.69Å
205P98.2Very high97.6Very high9 Ų923.1 Ų23.16%0.05811%0.114CC..PPolyproline II helixtrans-66.5166.6173.128.6-32.7000111.3C23 E209 I210C23-P205 HydrophobicContact CB-CB 4.49Å; C23-P205 WeakPolarHBondContact O-CB 3.23Å; P205-E209 HydrophobicContact CB-CB 4.25Å; P205-I210 HydrophobicContact CG-CD1 4.2Å; P205-I210 HydrophobicContact CG-CG1 3.84Å
206C98.1Very high97.3Very high4 Ų426.1 Ų26.13%0.02713%0.131CC..PPolyproline II helixtrans-72.1158176.971.30000111.5Q208 E209 I210 P236 T237 Y238C206-Q208 PolarHBondContact O-N 3.35Å; C206-Q208 VanDerWaalsContact O-N 3.11Å; C206-Q208 PolarHBondContact SG-OE1 3.04Å; C206-E209 PolarHBondContact O-N 3.27Å; C206-I210 PolarHBondContact O-N 3.48Å; C206-P236 HydrophobicContact CB-CB 3.72Å; C206-T237 WeakPolarHBondContact CA-O 3.4Å; C206-T237 WeakPolarHBondContact CB-O 3.3Å; C206-Y238 HydrophobicContact CB-CD1 4.24Å; C206-Y238 HydrophobicContact CB-CE1 3.71Å; C206-Y238 HydrophobicContact CB-CE2 4.44Å
207D98.5Very high96.8Very high10 Ų1023.3 Ų23.35%0.05311%0.114CC..Hα-helixtrans-54.1-38.8-175.1-57.3-23.8000111.4L170 E209 I210 L211 T237 Y238 T239L170-D207 HydrophobicContact CD1-CB 4.03Å; L170-D207 WeakPolarHBondContact CD1-OD1 3.45Å; D207-E209 PolarHBondContact O-N 2.92Å; D207-I210 WeakPolarHBondContact O-CB 3.43Å; D207-I210 PolarHBondContact O-N 2.85Å; D207-L211 WeakPolarHBondContact O-CG 3.31Å; D207-L211 PolarHBondContact O-N 3.41Å; D207-T237 VanDerWaalsContact CG-O 3.3Å; D207-T237 PolarHBondContact N-O 3.11Å; D207-T237 PolarHBondContact OD2-OG1 3.15Å; D207-Y238 WeakPolarHBondContact OD1-CA 3.21Å; D207-Y238 PolarHBondContact OD2-N 2.91Å; D207-T239 PolarHBondContact OD1-N 2.84Å; D207-T239 PolarHBondContact OD2-N 3.28Å; D207-T239 VanDerWaalsContact OD2-N 3.09Å; D207-T239 PolarHBondContact OD2-OG1 3.47Å
208Q97.9Very high96Very high11 Ų1126.3 Ų26.35%0.05113%0.134CC..Hα-helixtrans-60.5-43.7179.3-66.268.935.300112.1C206 I210 L211 L212 L231 L234 T237C206-Q208 PolarHBondContact O-N 3.35Å; C206-Q208 VanDerWaalsContact O-N 3.11Å; C206-Q208 PolarHBondContact SG-OE1 3.04Å; Q208-I210 VanDerWaalsContact C-N 3.31Å; Q208-I210 PolarHBondContact O-N 3.01Å; Q208-L211 PolarHBondContact O-N 3.48Å; Q208-L212 WeakPolarHBondContact O-CB 3.36Å; Q208-L212 WeakPolarHBondContact O-CD1 3.39Å; Q208-L212 WeakPolarHBondContact O-CG 3.48Å; Q208-L212 PolarHBondContact O-N 2.93Å; Q208-L231 WeakPolarHBondContact CG-O 3.28Å; Q208-L234 HydrophobicContact CG-CB 4.08Å; Q208-L234 HydrophobicContact CG-CD1 4.36Å; Q208-T237 PolarHBondContact NE2-OG1 3.26Å
209E97.9Very high95.1Very high5 Ų528 Ų282%0.02314%0.143CC..Hα-helixtrans-71.6-28.8-179.3-66.4-62.6168.600111.7G17 A18 R22 G25 P205 C206 D207 H213G17-E209 VanDerWaalsContact CA-CD 3.43Å; G17-E209 WeakPolarHBondContact CA-OE2 3.36Å; A18-E209 PolarHBondContact N-OE1 2.94Å; A18-E209 VanDerWaalsContact N-OE1 3.12Å; A18-E209 PolarHBondContact N-OE2 3.29Å; R22-E209 IonicContact CZ-OE1 2.98Å; R22-E209 VanDerWaalsContact CZ-OE1 3.27Å; R22-E209 IonicContact NE-OE1 2.76Å; R22-E209 PolarHBondContact NE-OE1 2.81Å; R22-E209 IonicContact NH2-OE1 3.78Å; R22-E209 PolarHBondContact NH2-OE1 3.42Å; G25-E209 VanDerWaalsContact CA-O 3.29Å; G25-E209 WeakPolarHBondContact CA-O 3.12Å; G25-E209 PolarHBondContact N-O 3.4Å; P205-E209 HydrophobicContact CB-CB 4.25Å; C206-E209 PolarHBondContact O-N 3.27Å; D207-E209 PolarHBondContact O-N 2.92Å; E209-H213 VanDerWaalsContact O-CB 3.23Å; E209-H213 WeakPolarHBondContact O-CB 3.25Å; E209-H213 PolarHBondContact O-N 3.47Å
210I98Very high94.3Very high0 Ų027.7 Ų27.70%014%0.141CC..Hα-helixtrans-65.7-50169.6-66173000110.4N167 L170 P205 C206 D207 Q208 L212 H213 W214N167-I210 HydrophobicContact CB-CG2 4.46Å; N167-I210 WeakPolarHBondContact OD1-CG2 3.38Å; L170-I210 HydrophobicContact CB-CG2 4.29Å; L170-I210 HydrophobicContact CD1-CB 4.25Å; L170-I210 HydrophobicContact CD1-CD1 3.75Å; L170-I210 HydrophobicContact CD1-CG2 4.13Å; P205-I210 HydrophobicContact CG-CD1 4.2Å; P205-I210 HydrophobicContact CG-CG1 3.84Å; C206-I210 PolarHBondContact O-N 3.48Å; D207-I210 WeakPolarHBondContact O-CB 3.43Å; D207-I210 PolarHBondContact O-N 2.85Å; Q208-I210 VanDerWaalsContact C-N 3.31Å; Q208-I210 PolarHBondContact O-N 3.01Å; I210-L212 PolarHBondContact O-N 3Å; I210-H213 WeakPolarHBondContact O-CB 3.38Å; I210-H213 PolarHBondContact O-N 2.83Å; I210-W214 PolarHBondContact O-N 3.05Å
211L97.2Very high93.2Very high14 Ų1429.7 Ų29.77%0.07315%0.154CC..Hα-helixtrans-63-43.4179.6-65.6178.1000111.9L170 Y174 F175 D207 Q208 W214 S215 L231L170-L211 HydrophobicContact CB-CD2 4.34Å; Y174-L211 VanDerWaalsContact CB-CD2 3.47Å; Y174-L211 HydrophobicContact CD1-CD1 4.08Å; Y174-L211 HydrophobicContact CD1-CD2 3.92Å; Y174-L211 HydrophobicContact CD1-CG 4.43Å; Y174-L211 HydrophobicContact CD2-CD1 3.79Å; Y174-L211 HydrophobicContact CE1-CD1 4.34Å; Y174-L211 HydrophobicContact CE2-CD1 4.13Å; Y174-L211 HydrophobicContact CG-CD1 3.79Å; Y174-L211 HydrophobicContact CG-CD2 3.73Å; Y174-L211 HydrophobicContact CG-CG 4.34Å; F175-L211 HydrophobicContact CE2-CD2 4.02Å; F175-L211 WeakPolarHBondContact CZ-O 3.34Å; D207-L211 WeakPolarHBondContact O-CG 3.31Å; D207-L211 PolarHBondContact O-N 3.41Å; Q208-L211 PolarHBondContact O-N 3.48Å; L211-W214 PolarHBondContact O-N 2.8Å; L211-S215 PolarHBondContact O-N 3.06Å; L211-L231 HydrophobicContact CB-CD1 4.04Å; L211-L231 HydrophobicContact CD1-CD1 4.44Å; L211-L231 HydrophobicContact CD1-CD2 4.3Å
212L95.9Very high92.2Very high2 Ų234.5 Ų34.51%0.0118%0.179CC..Hα-helixtrans-62.8-41.5175.9-69.9165.8000111.6A18 Q208 I210 W214 S215 D216 L231A18-L212 HydrophobicContact CB-CD1 3.86Å; Q208-L212 WeakPolarHBondContact O-CB 3.36Å; Q208-L212 WeakPolarHBondContact O-CD1 3.39Å; Q208-L212 WeakPolarHBondContact O-CG 3.48Å; Q208-L212 PolarHBondContact O-N 2.93Å; I210-L212 PolarHBondContact O-N 3Å; L212-W214 PolarHBondContact O-N 3.45Å; L212-S215 WeakPolarHBondContact CA-OG 3.48Å; L212-S215 PolarHBondContact O-N 2.92Å; L212-S215 PolarHBondContact O-OG 2.83Å; L212-D216 WeakPolarHBondContact O-CB 3.32Å; L212-D216 PolarHBondContact O-N 3.01Å; L212-L231 HydrophobicContact CD1-CB 4.35Å; L212-L231 HydrophobicContact CD2-CB 4Å; L212-L231 HydrophobicContact CD2-CD1 4.39Å; L212-L231 HydrophobicContact CG-CB 4.15Å
213H95.4Very high91.6Very high8 Ų831.2 Ų31.24%0.03717%0.169CC..Hα-helixtrans-55-41.4174.317578.9000112.3R15 G25 E209 I210 R217R15-H213 PolarHBondContact NH1-CE1 2.86Å; R15-H213 PolarHBondContact NH1-ND1 2.74Å; G25-H213 PolarHBondContact O-CD2 3.22Å; E209-H213 VanDerWaalsContact O-CB 3.23Å; E209-H213 WeakPolarHBondContact O-CB 3.25Å; E209-H213 PolarHBondContact O-N 3.47Å; I210-H213 WeakPolarHBondContact O-CB 3.38Å; I210-H213 PolarHBondContact O-N 2.83Å; H213-R217 VanDerWaalsContact O-CG 3.27Å; H213-R217 WeakPolarHBondContact O-CG 3.35Å
214W95.3Very high91.2Very high0 Ų034 Ų340%019%0.188CC..Hα-helixtrans-78.9-33177.6-72.6103000113.6F113 F116 I120 N167 A171 F175 I210 L211 L212 D216 R217 T220F113-W214 HydrophobicContact CE1-CH2 4.28Å; F113-W214 HydrophobicContact CE2-CH2 4.14Å; F113-W214 AromaticContact CE2-CZ2 3.96Å; F113-W214 HydrophobicContact CE2-CZ2 3.96Å; F113-W214 AromaticContact CZ-CH2 3.56Å; F113-W214 HydrophobicContact CZ-CH2 3.56Å; F113-W214 AromaticContact CZ-CZ2 3.56Å; F113-W214 HydrophobicContact CZ-CZ2 3.56Å; F116-W214 HydrophobicContact CD1-CH2 4.11Å; F116-W214 HydrophobicContact CD1-CZ2 4.37Å; F116-W214 HydrophobicContact CE1-CD2 4.22Å; F116-W214 AromaticContact CE1-CE2 3.7Å; F116-W214 HydrophobicContact CE1-CE3 4.24Å; F116-W214 AromaticContact CE1-CH2 3.28Å; F116-W214 HydrophobicContact CE1-CH2 3.28Å; F116-W214 AromaticContact CE1-CZ2 3.28Å; F116-W214 HydrophobicContact CE1-CZ2 3.28Å; F116-W214 AromaticContact CE1-CZ3 3.79Å; F116-W214 HydrophobicContact CE1-CZ3 3.79Å; F116-W214 AromaticContact CZ-CD2 3.92Å; F116-W214 HydrophobicContact CZ-CD2 3.92Å; F116-W214 AromaticContact CZ-CE2 3.73Å; F116-W214 HydrophobicContact CZ-CE3 4.09Å; F116-W214 AromaticContact CZ-CH2 3.96Å; F116-W214 HydrophobicContact CZ-CH2 3.96Å; F116-W214 AromaticContact CZ-CZ2 3.82Å; F116-W214 HydrophobicContact CZ-CZ2 3.82Å; F116-W214 HydrophobicContact CZ-CZ3 4.08Å; I120-W214 HydrophobicContact CG1-CE3 4.43Å; I120-W214 HydrophobicContact CG2-CE3 3.88Å; I120-W214 HydrophobicContact CG2-CZ3 3.86Å; N167-W214 PolarHBondContact OD1-NE1 3.21Å; A171-W214 HydrophobicContact CB-CB 4.4Å; A171-W214 HydrophobicContact CB-CG 3.95Å; F175-W214 HydrophobicContact CE2-CB 3.87Å; F175-W214 HydrophobicContact CZ-CB 4.47Å; I210-W214 PolarHBondContact O-N 3.05Å; L211-W214 PolarHBondContact O-N 2.8Å; L212-W214 PolarHBondContact O-N 3.45Å; W214-D216 PolarHBondContact O-N 2.84Å; W214-R217 HydrophobicContact CE3-CG 4.27Å; W214-R217 PolarHBondContact O-N 3.29Å; W214-T220 HydrophobicContact CE3-CG2 4.48Å; W214-T220 VanDerWaalsContact O-CB 3.3Å; W214-T220 WeakPolarHBondContact O-CB 3.31Å; W214-T220 WeakPolarHBondContact O-CG2 3.47Å; W214-T220 PolarHBondContact O-OG1 2.88Å
215S93.9Very high90.8Very high4 Ų437.9 Ų37.93%0.02822%0.221CC..Hα-helixtrans-66.9-27.1175.165.30000113.3L211 L212 R217L211-S215 PolarHBondContact O-N 3.06Å; L212-S215 WeakPolarHBondContact CA-OG 3.48Å; L212-S215 PolarHBondContact O-N 2.92Å; L212-S215 PolarHBondContact O-OG 2.83Å; S215-R217 VanDerWaalsContact C-N 3.33Å
216D91Very high90.6Very high77 Ų7741.2 Ų41.241%0.41225%0.245SC..THydrogen-bonded Turntrans-85.8-6.5-178.8-67.5-7.6000113.3R15 L212 W214 H228R15-D216 IonicContact NH2-OD2 3.87Å; L212-D216 WeakPolarHBondContact O-CB 3.32Å; L212-D216 PolarHBondContact O-N 3.01Å; W214-D216 PolarHBondContact O-N 2.84Å; D216-H228 IonicContact OD1-CD2 2.69Å; D216-H228 IonicContact OD1-NE2 2.71Å; D216-H228 PolarHBondContact OD1-NE2 2.98Å
217R87.4Confident90.4Very high78 Ų7844 Ų4429%0.29426%0.257SS..SBendtrans-74.7140.4-179.6-72.9-88.6-107.5-174.6-5.1109.1H213 W214 S215 D219 T220H213-R217 VanDerWaalsContact O-CG 3.27Å; H213-R217 WeakPolarHBondContact O-CG 3.35Å; W214-R217 HydrophobicContact CE3-CG 4.27Å; W214-R217 PolarHBondContact O-N 3.29Å; S215-R217 VanDerWaalsContact C-N 3.33Å; R217-D219 PolarHBondContact O-N 3.41Å; R217-T220 HydrophobicContact CB-CG2 3.87Å; R217-T220 PolarHBondContact O-N 2.76Å; R217-T220 PolarHBondContact O-OG1 2.98Å
218P81.4Confident90.1Very high81 Ų8146.2 Ų46.253%0.52627%0.267SS..THydrogen-bonded Turntrans-53.7140.5169.3-24.733.7000110.7T220P218-T220 PolarHBondContact O-N 3.48Å
219D80Confident90Very high123 Ų12351.7 Ų51.766%0.65829%0.291SS*.THydrogen-bonded Turntrans69.42.4173.7-41.1-54.8000116.1K121 R217K121-D219 CarbonylContact C-O 3.46Å; K121-D219 VanDerWaalsContact CA-O 3.3Å; K121-D219 WeakPolarHBondContact CA-O 3.12Å; K121-D219 HydrophobicContact CB-CB 4.23Å; R217-D219 PolarHBondContact O-N 3.41Å
220T81.4Confident89.9Confident7 Ų756.3 Ų56.34%0.04331%0.308CS..SBendtrans-78.7154.4166.2570000110.3I120 K121 W214 R217 P218 N222I120-T220 HydrophobicContact CG1-CG2 4.35Å; I120-T220 HydrophobicContact CG2-CG2 4.33Å; K121-T220 HydrophobicContact CG-CG2 3.85Å; W214-T220 HydrophobicContact CE3-CG2 4.48Å; W214-T220 VanDerWaalsContact O-CB 3.3Å; W214-T220 WeakPolarHBondContact O-CB 3.31Å; W214-T220 WeakPolarHBondContact O-CG2 3.47Å; W214-T220 PolarHBondContact O-OG1 2.88Å; R217-T220 HydrophobicContact CB-CG2 3.87Å; R217-T220 PolarHBondContact O-N 2.76Å; R217-T220 PolarHBondContact O-OG1 2.98Å; P218-T220 PolarHBondContact O-N 3.48Å; T220-N222 PolarHBondContact O-N 3.12Å
221P76.8Confident89.8Confident44 Ų4456.6 Ų56.629%0.28631%0.309SS..  trans-56.2106.9171.6-25.734.6000110.5I120 E122 L223I120-P221 VanDerWaalsContact O-CD 3.23Å; I120-P221 WeakPolarHBondContact O-CD 3.4Å; E122-P221 HydrophobicContact CG-CG 4.23Å; P221-L223 PolarHBondContact O-N 3.23Å
222N76.7Confident89.6Confident131 Ų13157.6 Ų57.670%0.70132%0.318SS*.PPolyproline II helixtrans-60.8134.1179.6-73.3-29.7000109.8T220T220-N222 PolarHBondContact O-N 3.12Å
223L86.6Confident89.5Confident36 Ų3664.8 Ų64.819%0.18835%0.349CS..PPolyproline II helixtrans-67.2147.3164.7-65.5173.8000109.7Y174 F175 P221 E227 H228 L231Y174-L223 HydrophobicContact CE1-CD1 4.29Å; Y174-L223 HydrophobicContact CE1-CD2 3.7Å; F175-L223 HydrophobicContact CD1-CD2 4.46Å; F175-L223 HydrophobicContact CE1-CD1 4.29Å; F175-L223 HydrophobicContact CE1-CD2 3.76Å; F175-L223 HydrophobicContact CE1-CG 3.86Å; F175-L223 HydrophobicContact CZ-CD1 4.38Å; F175-L223 HydrophobicContact CZ-CG 4.42Å; P221-L223 PolarHBondContact O-N 3.23Å; L223-E227 HydrophobicContact CB-CB 4.16Å; L223-E227 HydrophobicContact CD2-CB 4.3Å; L223-H228 HydrophobicContact CB-CB 4.25Å; L223-L231 HydrophobicContact CD1-CD1 3.42Å; L223-L231 VanDerWaalsContact CD1-CD1 3.42Å
224S89Confident89.5Confident62 Ų6267.5 Ų67.543%0.43436%0.363SS..PPolyproline II helixtrans-58.6150.416568.20000109.2S226 E227 H228S224-S226 PolarHBondContact O-N 3.42Å; S224-S226 VanDerWaalsContact O-N 3.1Å; S224-S226 PolarHBondContact OG-OG 2.78Å; S224-E227 PolarHBondContact O-N 2.84Å; S224-E227 WeakPolarHBondContact OG-CB 3.42Å; S224-E227 WeakPolarHBondContact OG-CG 3.33Å; S224-E227 PolarHBondContact OG-N 3.29Å; S224-H228 PolarHBondContact O-N 3.41Å
225A90Very high89.5Confident89 Ų8971 Ų7174%0.73639%0.393SS*.Hα-helixtrans-55.7-31.817800000112.3K229A225-K229 WeakPolarHBondContact O-CB 3.44Å; A225-K229 PolarHBondContact O-N 3.33Å
226S93.9Very high89.7Confident80 Ų8073.9 Ų73.956%0.55941%0.411SS*.Hα-helixtrans-68.8-43.3174.554.90000112.6S224 K229 R230S224-S226 PolarHBondContact O-N 3.42Å; S224-S226 VanDerWaalsContact O-N 3.1Å; S224-S226 PolarHBondContact OG-OG 2.78Å; S226-K229 PolarHBondContact O-N 3.39Å; S226-R230 WeakPolarHBondContact O-CB 3.22Å; S226-R230 PolarHBondContact O-N 3.14Å
227E93.8Very high90Very high63 Ų6373.3 Ų73.329%0.29441%0.41SS..Hα-helixtrans-68.9-43177.9-78.6-55.2113.400111.9L223 S224 K229 R230 L231L223-E227 HydrophobicContact CB-CB 4.16Å; L223-E227 HydrophobicContact CD2-CB 4.3Å; S224-E227 PolarHBondContact O-N 2.84Å; S224-E227 WeakPolarHBondContact OG-CB 3.42Å; S224-E227 WeakPolarHBondContact OG-CG 3.33Å; S224-E227 PolarHBondContact OG-N 3.29Å; E227-K229 VanDerWaalsContact C-N 3.35Å; E227-K229 PolarHBondContact O-N 2.69Å; E227-R230 WeakPolarHBondContact O-CB 3.32Å; E227-R230 PolarHBondContact O-N 3.45Å; E227-R230 VanDerWaalsContact O-N 3.12Å; E227-R230 IonicContact OE1-NE 2.89Å; E227-R230 PolarHBondContact OE1-NE 3.35Å; E227-R230 IonicContact OE2-CZ 3.46Å; E227-R230 VanDerWaalsContact OE2-CZ 3.22Å; E227-R230 IonicContact OE2-NE 2.9Å; E227-R230 PolarHBondContact OE2-NE 2.9Å; E227-R230 IonicContact OE2-NH2 2.8Å; E227-R230 PolarHBondContact OE2-NH2 2.91Å; E227-L231 PolarHBondContact O-N 2.92Å
228H93.6Very high90.5Very high55 Ų5575.1 Ų75.126%0.25542%0.418SS..Hα-helixtrans-57-49.2173.5-178.6-67.3000110.9D216 L223 S224 R230 L231 S232D216-H228 IonicContact OD1-CD2 2.69Å; D216-H228 IonicContact OD1-NE2 2.71Å; D216-H228 PolarHBondContact OD1-NE2 2.98Å; L223-H228 HydrophobicContact CB-CB 4.25Å; S224-H228 PolarHBondContact O-N 3.41Å; H228-R230 VanDerWaalsContact C-N 3.28Å; H228-R230 PolarHBondContact O-N 3.38Å; H228-L231 PolarHBondContact O-N 3.46Å; H228-S232 PolarHBondContact O-N 3.19Å
229K94.2Very high91.3Very high126 Ų12673.3 Ų73.355%0.54841%0.406SS..Hα-helixtrans-63.8-31.9176.8-177.4177.3-178.9178.90112.8A225 S226 E227 S232 K233A225-K229 WeakPolarHBondContact O-CB 3.44Å; A225-K229 PolarHBondContact O-N 3.33Å; S226-K229 PolarHBondContact O-N 3.39Å; E227-K229 VanDerWaalsContact C-N 3.35Å; E227-K229 PolarHBondContact O-N 2.69Å; K229-S232 PolarHBondContact O-OG 3.46Å; K229-S232 VanDerWaalsContact O-OG 3.13Å; K229-K233 HydrophobicContact CG-CD 4.32Å; K229-K233 VanDerWaalsContact O-CG 3.3Å; K229-K233 WeakPolarHBondContact O-CG 3.3Å; K229-K233 PolarHBondContact O-N 2.93Å
230R96.1Very high92Very high103 Ų10370.6 Ų70.639%0.38939%0.386SS..Hα-helixtrans-66.1-55.3175.2-171.5-176.86875.68.4109.3Y174 S226 E227 H228 S232 K233 L234Y174-R230 PolarHBondContact OH-NH2 2.82Å; S226-R230 WeakPolarHBondContact O-CB 3.22Å; S226-R230 PolarHBondContact O-N 3.14Å; E227-R230 WeakPolarHBondContact O-CB 3.32Å; E227-R230 PolarHBondContact O-N 3.45Å; E227-R230 VanDerWaalsContact O-N 3.12Å; E227-R230 IonicContact OE1-NE 2.89Å; E227-R230 PolarHBondContact OE1-NE 3.35Å; E227-R230 IonicContact OE2-CZ 3.46Å; E227-R230 VanDerWaalsContact OE2-CZ 3.22Å; E227-R230 IonicContact OE2-NE 2.9Å; E227-R230 PolarHBondContact OE2-NE 2.9Å; E227-R230 IonicContact OE2-NH2 2.8Å; E227-R230 PolarHBondContact OE2-NH2 2.91Å; H228-R230 VanDerWaalsContact C-N 3.28Å; H228-R230 PolarHBondContact O-N 3.38Å; R230-S232 VanDerWaalsContact C-N 3.3Å; R230-S232 PolarHBondContact O-N 3.06Å; R230-K233 PolarHBondContact O-N 3.17Å; R230-L234 WeakPolarHBondContact O-CG 3.37Å; R230-L234 PolarHBondContact O-N 2.89Å; R230-L234 VanDerWaalsContact O-N 3.16Å
231L95.3Very high92.7Very high5 Ų574.2 Ų74.23%0.02641%0.412CS..Hα-helixtrans-55.3-43.5178.7-72.2-179.4000112.3Y174 Q208 L211 L212 L223 E227 H228 K233 L234Y174-L231 HydrophobicContact CE1-CD1 4.13Å; Q208-L231 WeakPolarHBondContact CG-O 3.28Å; L211-L231 HydrophobicContact CB-CD1 4.04Å; L211-L231 HydrophobicContact CD1-CD1 4.44Å; L211-L231 HydrophobicContact CD1-CD2 4.3Å; L212-L231 HydrophobicContact CD1-CB 4.35Å; L212-L231 HydrophobicContact CD2-CB 4Å; L212-L231 HydrophobicContact CD2-CD1 4.39Å; L212-L231 HydrophobicContact CG-CB 4.15Å; L223-L231 HydrophobicContact CD1-CD1 3.42Å; L223-L231 VanDerWaalsContact CD1-CD1 3.42Å; E227-L231 PolarHBondContact O-N 2.92Å; H228-L231 PolarHBondContact O-N 3.46Å; L231-K233 PolarHBondContact O-N 2.86Å; L231-K233 VanDerWaalsContact O-N 3.13Å; L231-L234 HydrophobicContact CD2-CD1 4.04Å; L231-L234 PolarHBondContact O-N 3.29Å
232S94.4Very high93.6Very high35 Ų3573.9 Ų73.925%0.24541%0.407CS..THydrogen-bonded Turntrans-65.9-15.9-179.378.60000114H228 K229 R230H228-S232 PolarHBondContact O-N 3.19Å; K229-S232 PolarHBondContact O-OG 3.46Å; K229-S232 VanDerWaalsContact O-OG 3.13Å; R230-S232 VanDerWaalsContact C-N 3.3Å; R230-S232 PolarHBondContact O-N 3.06Å
233K94.3Very high94.4Very high153 Ų15369.2 Ų69.267%0.66538%0.384SS*.THydrogen-bonded Turntrans-109.2-9.5-177.8-70.7-174.8175.3-154.30114.2K229 R230 L231K229-K233 HydrophobicContact CG-CD 4.32Å; K229-K233 VanDerWaalsContact O-CG 3.3Å; K229-K233 WeakPolarHBondContact O-CG 3.3Å; K229-K233 PolarHBondContact O-N 2.93Å; R230-K233 PolarHBondContact O-N 3.17Å; L231-K233 PolarHBondContact O-N 2.86Å; L231-K233 VanDerWaalsContact O-N 3.13Å
234L94.9Very high94.7Very high65 Ų6573.9 Ų73.934%0.3442%0.416SS..SBendtrans-66.3151.9177-71.1172.3000110.6Q208 R230 L231Q208-L234 HydrophobicContact CG-CB 4.08Å; Q208-L234 HydrophobicContact CG-CD1 4.36Å; R230-L234 WeakPolarHBondContact O-CG 3.37Å; R230-L234 PolarHBondContact O-N 2.89Å; R230-L234 VanDerWaalsContact O-N 3.16Å; L231-L234 HydrophobicContact CD2-CD1 4.04Å; L231-L234 PolarHBondContact O-N 3.29Å
235A95.3Very high94.9Very high75 Ų7575.6 Ų75.662%0.6242%0.421SS*.PPolyproline II helixtrans-58.5140.8166.300000109.7T237A235-T237 PolarHBondContact O-N 2.76Å
236P96.6Very high95Very high64 Ų6472 Ų7242%0.41639%0.39SS..PPolyproline II helixtrans-54.7129.6176-24.332000112.1C206 Y238C206-P236 HydrophobicContact CB-CB 3.72Å; P236-Y238 HydrophobicContact CB-CE2 4.07Å
237T97.9Very high94.6Very high65 Ų6575.3 Ų75.340%0.39940%0.4SS..  trans-118158.5168.266.10000110.8C206 D207 Q208 A235C206-T237 WeakPolarHBondContact CA-O 3.4Å; C206-T237 WeakPolarHBondContact CB-O 3.3Å; D207-T237 VanDerWaalsContact CG-O 3.3Å; D207-T237 PolarHBondContact N-O 3.11Å; D207-T237 PolarHBondContact OD2-OG1 3.15Å; Q208-T237 PolarHBondContact NE2-OG1 3.26Å; A235-T237 PolarHBondContact O-N 2.76Å
238Y98.2Very high94Very high115 Ų11575 Ų7545%0.45140%0.4SS..  trans-138.5102-177.9-60.7-82.6000110.3C206 D207 P236 R240C206-Y238 HydrophobicContact CB-CD1 4.24Å; C206-Y238 HydrophobicContact CB-CE1 3.71Å; C206-Y238 HydrophobicContact CB-CE2 4.44Å; D207-Y238 WeakPolarHBondContact OD1-CA 3.21Å; D207-Y238 PolarHBondContact OD2-N 2.91Å; P236-Y238 HydrophobicContact CB-CE2 4.07Å; Y238-R240 VanDerWaalsContact C-N 3.33Å; Y238-R240 PolarHBondContact O-N 2.73Å
239T97.8Very high92.7Very high44 Ų4484.7 Ų84.727%0.2745%0.446SS..  trans-79.780.4-177.8-64.90000110.8H166 R169 L170 D207H166-T239 PolarHBondContact CE1-O 2.76Å; H166-T239 VanDerWaalsContact CE1-O 3.24Å; R169-T239 PolarHBondContact NH1-O 3.44Å; L170-T239 HydrophobicContact CD2-CG2 3.85Å; D207-T239 PolarHBondContact OD1-N 2.84Å; D207-T239 PolarHBondContact OD2-N 3.28Å; D207-T239 VanDerWaalsContact OD2-N 3.09Å; D207-T239 PolarHBondContact OD2-OG1 3.47Å
240R95.7Very high92.6Very high66 Ų6682.7 Ų82.725%0.24944%0.441CS..  trans-115.411.2-174.2-61.2173.9-174.9174.3-1.9113.8Y195 T201 Y238Y195-R240 WeakPolarHBondContact CB-O 3.18Å; Y195-R240 HydrophobicContact CD1-CB 4.01Å; Y195-R240 HydrophobicContact CD1-CG 4.03Å; Y195-R240 WeakPolarHBondContact CD2-O 3.38Å; Y195-R240 HydrophobicContact CE1-CG 4.48Å; Y195-R240 HydrophobicContact CG-CB 3.98Å; Y195-R240 HydrophobicContact CG-CG 4.5Å; T201-R240 PolarHBondContact O-NH1 3.45Å; T201-R240 PolarHBondContact O-NH2 3.02Å; Y238-R240 VanDerWaalsContact C-N 3.33Å; Y238-R240 PolarHBondContact O-N 2.73Å
241S94.8Very high92.4Very high82 Ų8281.6 Ų81.657%0.57344%0.443SS*.SBendtrans-97.5159.4170.655.90000110.8R169R169-S241 VanDerWaalsContact CZ-O 3.23Å; R169-S241 PolarHBondContact NH1-O 3.2Å; R169-S241 PolarHBondContact NH2-O 3.07Å
242L96Very high92.3Very high38 Ų3885.8 Ų85.820%0.19947%0.466CS..PPolyproline II helixtrans-81.7151.4170.7-58.3-178000110.7W188 N192 Y195 V246 I248W188-L242 HydrophobicContact CE3-CD2 3.79Å; W188-L242 HydrophobicContact CZ3-CD2 4.44Å; N192-L242 HydrophobicContact CB-CD1 4.05Å; N192-L242 HydrophobicContact CB-CD2 4.08Å; N192-L242 HydrophobicContact CB-CG 4.39Å; Y195-L242 HydrophobicContact CE2-CD2 4.38Å; L242-V246 HydrophobicContact CB-CB 4.37Å; L242-V246 HydrophobicContact CB-CG1 4.38Å; L242-V246 HydrophobicContact CD1-CG1 4.03Å; L242-I248 HydrophobicContact CD1-CD1 3.57Å; L242-I248 HydrophobicContact CD1-CG1 3.89Å; L242-I248 HydrophobicContact CD1-CG2 4.28Å
243P94Very high92.1Very high32 Ų3288.8 Ų88.821%0.20848%0.479CS..PPolyproline II helixtrans-55.3145.7165-21.232.2000111.1W188 D245 V246W188-P243 HydrophobicContact CH2-CG 3.54Å; W188-P243 HydrophobicContact CZ2-CG 3.73Å; W188-P243 HydrophobicContact CZ3-CG 4.05Å; P243-D245 WeakPolarHBondContact CB-OD1 3.34Å; P243-D245 PolarHBondContact O-N 3.18Å; P243-V246 HydrophobicContact CB-CG2 3.99Å; P243-V246 HydrophobicContact CG-CG2 3.97Å; P243-V246 WeakPolarHBondContact O-CB 3.31Å; P243-V246 PolarHBondContact O-N 3.33Å; P243-V246 VanDerWaalsContact O-N 3.08Å
244P92.9Very high92Very high134 Ų13484.8 Ų84.887%0.8747%0.468SS*.THydrogen-bonded Turntrans-65.3-20.7-174.726.9-35.4000114.1
245D92.8Very high91.8Very high99 Ų9986.1 Ų86.153%0.52948%0.476SS..THydrogen-bonded Turntrans-88.8-3178.160.4-49.5000113.6S182 P243S182-D245 WeakPolarHBondContact CB-OD2 3.3Å; S182-D245 PolarHBondContact OG-OD2 3.48Å; P243-D245 WeakPolarHBondContact CB-OD1 3.34Å; P243-D245 PolarHBondContact O-N 3.18Å
246V92.3Very high91.6Very high13 Ų1386.9 Ų86.98%0.07947%0.466CS..  trans-85116.2173.4170.30000109.5W188 L242 P243 I248W188-V246 HydrophobicContact CB-CG1 3.48Å; W188-V246 VanDerWaalsContact CB-CG1 3.48Å; W188-V246 HydrophobicContact CD2-CG1 4.29Å; W188-V246 HydrophobicContact CD2-CG2 3.82Å; W188-V246 HydrophobicContact CG-CB 4.35Å; W188-V246 HydrophobicContact CG-CG1 3.61Å; W188-V246 HydrophobicContact CG-CG2 3.73Å; W188-V246 HydrophobicContact CZ2-CG2 4.36Å; L242-V246 HydrophobicContact CB-CB 4.37Å; L242-V246 HydrophobicContact CB-CG1 4.38Å; L242-V246 HydrophobicContact CD1-CG1 4.03Å; P243-V246 HydrophobicContact CB-CG2 3.99Å; P243-V246 HydrophobicContact CG-CG2 3.97Å; P243-V246 WeakPolarHBondContact O-CB 3.31Å; P243-V246 PolarHBondContact O-N 3.33Å; P243-V246 VanDerWaalsContact O-N 3.08Å; V246-I248 HydrophobicContact CG1-CG2 3.98Å
247L85.3Confident91.2Very high150 Ų15088.7 Ų88.779%0.78547%0.47SS*.  trans-100.5116.5170.2-58.2176.7000108.2
248I82.5Confident90.6Very high56 Ų5690.7 Ų90.729%0.28748%0.476SS..  trans-109.4132.4168.453.5165.2000107.9W188 R189 N192 L242 V246W188-I248 HydrophobicContact CB-CG2 4.28Å; R189-I248 HydrophobicContact CB-CG2 4.06Å; N192-I248 HydrophobicContact CB-CD1 3.95Å; N192-I248 WeakPolarHBondContact ND2-CD1 3.2Å; L242-I248 HydrophobicContact CD1-CD1 3.57Å; L242-I248 HydrophobicContact CD1-CG1 3.89Å; L242-I248 HydrophobicContact CD1-CG2 4.28Å; V246-I248 HydrophobicContact CG1-CG2 3.98Å
249E65.2Low89.9Confident259 Ų25988.5 Ų88.5100%1.2148%0.478SS*.  trans-760168.9-66.4-177.2175.600110.9

Retrieved 249 of 249 residues in 89.4 ms (Link to these results)

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