A0A077YXG8_TRITR Loading...

Zf-MYND domain containing protein

AlphaFold DB , UniProt , Accession A0A077YXG8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 495 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
1M67.5Low89.9Confident93 Ų9323.9 Ų23.946%0.45812%0.117SC..  0118.90171.9177.5-91.400107.8N203 F205 R425 C426M1-N203 HydrophobicContact CE-CB 3.45Å; M1-N203 VanDerWaalsContact CE-CB 3.45Å; M1-N203 HydrophobicContact CG-CB 3.88Å; M1-N203 HydrophobicContact SD-CB 3.61Å; M1-N203 PolarHBondContact SD-ND2 3.3Å; M1-N203 VanDerWaalsContact SD-ND2 3.36Å; M1-F205 HydrophobicContact CE-CD1 4.42Å; M1-F205 HydrophobicContact CE-CE1 4.32Å; M1-R425 WeakPolarHBondContact CE-O 3.21Å; M1-R425 VanDerWaalsContact SD-O 3.37Å; M1-C426 VanDerWaalsContact CE-O 3.27Å; M1-C426 WeakPolarHBondContact CE-O 3.33Å
2L76.3Confident90.6Very high25 Ų2523.1 Ų23.113%0.13111%0.112CC..EExtended strand (participates in β ladder)trans-104.3127.9173.9-178.363.4000108.2V4 F204 I208L2-V4 HydrophobicContact CB-CG1 4.46Å; L2-V4 HydrophobicContact CD2-CG1 3.85Å; L2-V4 HydrophobicContact CG-CG1 3.93Å; L2-F204 PolarHBondContact O-N 2.99Å; L2-I208 HydrophobicContact CD2-CB 4.14Å; L2-I208 HydrophobicContact CD2-CD1 4.32Å; L2-I208 HydrophobicContact CD2-CG2 3.94Å
3T87.1Confident91.2Very high20 Ų2021.5 Ų21.512%0.12310%0.104CC..EExtended strand (participates in β ladder)trans-80.6116.7161.9-58.80000107.7L5 E6 H201 L202 N203 R428T3-L5 WeakPolarHBondContact CG2-O 3.32Å; T3-E6 HydrophobicContact CG2-CG 4.01Å; T3-H201 HydrophobicContact CG2-CB 4.31Å; T3-L202 WeakPolarHBondContact CA-O 3.29Å; T3-N203 WeakPolarHBondContact CB-OD1 3.29Å; T3-N203 PolarHBondContact OG1-OD1 3.44Å; T3-R428 PolarHBondContact OG1-NE 3.22Å; T3-R428 PolarHBondContact OG1-NH2 3.35Å
4V88.7Confident91.7Very high0 Ų020.1 Ų20.10%010%0.098CC..EExtended strand (participates in β ladder)trans-95.4-14.1-177.3-64.60000113.4L2 N97 N99 L100 L202 F204 P214 I219L2-V4 HydrophobicContact CB-CG1 4.46Å; L2-V4 HydrophobicContact CD2-CG1 3.85Å; L2-V4 HydrophobicContact CG-CG1 3.93Å; V4-N97 CarbonylContact C-O 3.59Å; V4-N99 HydrophobicContact CB-CB 4.5Å; V4-N99 PolarHBondContact O-N 3.1Å; V4-L100 HydrophobicContact CB-CD2 4.39Å; V4-L100 HydrophobicContact CG2-CD2 4.34Å; V4-L202 HydrophobicContact CG2-CB 4.09Å; V4-L202 HydrophobicContact CG2-CD2 3.68Å; V4-L202 HydrophobicContact CG2-CG 3.69Å; V4-L202 WeakPolarHBondContact CG2-O 3.46Å; V4-L202 PolarHBondContact N-O 3.18Å; V4-F204 HydrophobicContact CG1-CB 4.3Å; V4-P214 HydrophobicContact CG1-CG 4.02Å; V4-I219 HydrophobicContact CG2-CD1 4.23Å
5L92.3Very high92Very high1 Ų120.3 Ų20.31%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-157.9136.4177.617265.8000110.6T3 E7 N97 V98 L100 T179 L180 L202T3-L5 WeakPolarHBondContact CG2-O 3.32Å; L5-E7 HydrophobicContact CG-CB 4.41Å; L5-N97 WeakPolarHBondContact CA-O 3.18Å; L5-N97 PolarHBondContact N-O 2.64Å; L5-V98 HydrophobicContact CD1-CG1 4.48Å; L5-V98 HydrophobicContact CD1-CG2 3.89Å; L5-L100 HydrophobicContact CB-CD1 4.2Å; L5-L100 HydrophobicContact CD2-CD1 4.09Å; L5-T179 HydrophobicContact CD2-CG2 3.46Å; L5-T179 VanDerWaalsContact CD2-CG2 3.46Å; L5-L180 HydrophobicContact CD2-CD2 3.71Å; L5-L180 HydrophobicContact CD2-CG 4.22Å; L5-L202 HydrophobicContact CB-CB 4.06Å; L5-L202 HydrophobicContact CB-CD2 4.37Å; L5-L202 PolarHBondContact O-N 2.94Å
6E94.3Very high92.1Very high21 Ų2122.5 Ų22.510%0.09811%0.112CC..EExtended strand (participates in β ladder)trans-117127160.7-58-179.3-148.600110.1T3 R95 V96 N97 T199 G200 H201 R428T3-E6 HydrophobicContact CG2-CG 4.01Å; E6-R95 WeakPolarHBondContact O-CA 3.4Å; E6-V96 HydrophobicContact CB-CG2 3.53Å; E6-V96 WeakPolarHBondContact CB-O 3.37Å; E6-V96 HydrophobicContact CG-CG2 4.06Å; E6-V96 PolarHBondContact N-O 3.4Å; E6-V96 PolarHBondContact O-N 2.8Å; E6-V96 WeakPolarHBondContact OE2-CG2 3.46Å; E6-N97 HydrophobicContact CG-CB 4.3Å; E6-N97 PolarHBondContact OE1-ND2 3.22Å; E6-T199 HydrophobicContact CB-CG2 4.27Å; E6-G200 WeakPolarHBondContact CA-O 3.5Å; E6-H201 WeakPolarHBondContact CG-ND1 3.02Å; E6-H201 IonicContact OE2-CE1 2.63Å; E6-H201 PolarHBondContact OE2-CE1 3.38Å; E6-H201 IonicContact OE2-ND1 3.47Å; E6-R428 IonicContact OE1-CZ 3.95Å; E6-R428 IonicContact OE1-NH1 3.53Å; E6-R428 PolarHBondContact OE1-NH1 3.42Å; E6-R428 IonicContact OE1-NH2 2.68Å; E6-R428 PolarHBondContact OE1-NH2 3.11Å; E6-R428 IonicContact OE2-NH1 3.42Å; E6-R428 IonicContact OE2-NH2 3.63Å
7E95.8Very high92Very high1 Ų127.4 Ų27.41%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-132.6132-179-171.7177-16800110.4L5 Y177 L178 T179 L180 G200L5-E7 HydrophobicContact CG-CB 4.41Å; E7-Y177 HydrophobicContact CB-CD1 4.25Å; E7-Y177 HydrophobicContact CG-CD1 4.12Å; E7-Y177 WeakPolarHBondContact O-CE1 3.3Å; E7-L178 PolarHBondContact OE1-N 3.36Å; E7-T179 PolarHBondContact OE1-N 3.36Å; E7-T179 WeakPolarHBondContact OE2-CA 3.38Å; E7-T179 WeakPolarHBondContact OE2-CB 3.49Å; E7-T179 PolarHBondContact OE2-N 3.43Å; E7-T179 VanDerWaalsContact OE2-N 3.11Å; E7-L180 HydrophobicContact CB-CD1 4.34Å; E7-L180 HydrophobicContact CB-CG 4.39Å; E7-L180 WeakPolarHBondContact OE2-CG 3.24Å; E7-L180 PolarHBondContact OE2-N 3.22Å; E7-G200 PolarHBondContact N-O 3.18Å; E7-G200 PolarHBondContact O-N 3.14Å
8K95.9Very high92Very high90 Ų9026.3 Ų26.339%0.39114%0.144SC..  trans-85.3144.5164.5-75.3-178.4179.71740110W10 P94 T199K8-W10 PolarHBondContact O-N 3.01Å; K8-P94 PolarHBondContact N-O 2.95Å; K8-T199 HydrophobicContact CG-CG2 4.47Å
9P96.9Very high92Very high9 Ų925.2 Ų25.26%0.05814%0.138CC..  trans-62.8138.5-179.226.1-33.2000109.7A11 Y12 I176 Y177 V198P9-A11 VanDerWaalsContact C-N 3.33Å; P9-Y12 HydrophobicContact CB-CD1 4.08Å; P9-Y12 HydrophobicContact CB-CG 4.32Å; P9-Y12 HydrophobicContact CG-CD1 3.45Å; P9-Y12 VanDerWaalsContact CG-CD1 3.45Å; P9-Y12 HydrophobicContact CG-CE1 4.18Å; P9-Y12 HydrophobicContact CG-CG 3.69Å; P9-I176 CarbonylContact C-O 3.6Å; P9-I176 WeakPolarHBondContact CA-O 3.33Å; P9-I176 WeakPolarHBondContact CB-O 3.33Å; P9-Y177 HydrophobicContact CB-CD1 4.15Å; P9-Y177 HydrophobicContact CB-CD2 4.32Å; P9-Y177 HydrophobicContact CB-CE1 3.78Å; P9-Y177 HydrophobicContact CB-CE2 3.94Å; P9-Y177 HydrophobicContact CB-CG 4.4Å; P9-Y177 VanDerWaalsContact CD-CE1 3.46Å; P9-Y177 HydrophobicContact CG-CE1 4.12Å; P9-V198 WeakPolarHBondContact CD-O 3.37Å; P9-V198 HydrophobicContact CG-CB 3.98Å; P9-V198 HydrophobicContact CG-CG2 4.36Å
10W96.9Very high92Very high2 Ų232.4 Ų32.41%0.00817%0.168CC..SBendtrans-64.2-40171.1177.376.8000111.4K8 I81 K84 L85 E89 A91 Y108 I176 L178K8-W10 PolarHBondContact O-N 3.01Å; W10-I81 HydrophobicContact CH2-CB 4.44Å; W10-I81 HydrophobicContact CH2-CG2 4.03Å; W10-I81 HydrophobicContact CZ3-CB 4.17Å; W10-I81 HydrophobicContact CZ3-CG1 3.85Å; W10-I81 HydrophobicContact CZ3-CG2 3.94Å; W10-K84 HydrophobicContact CH2-CB 3.93Å; W10-K84 HydrophobicContact CH2-CD 4.46Å; W10-K84 HydrophobicContact CZ2-CB 3.63Å; W10-K84 HydrophobicContact CZ2-CD 4.07Å; W10-K84 HydrophobicContact CZ2-CG 4.46Å; W10-K84 PolarHBondContact O-NZ 3.11Å; W10-L85 HydrophobicContact CH2-CD2 4.22Å; W10-L85 HydrophobicContact CH2-CG 4.45Å; W10-E89 VanDerWaalsContact CE2-O 3.28Å; W10-E89 VanDerWaalsContact CZ2-O 3.23Å; W10-E89 WeakPolarHBondContact CZ2-O 3.47Å; W10-E89 PolarHBondContact NE1-O 3.11Å; W10-A91 PolarHBondContact NE1-O 3.46Å; W10-Y108 AromaticContact CE3-CD2 3.77Å; W10-Y108 HydrophobicContact CE3-CD2 3.77Å; W10-Y108 HydrophobicContact CE3-CE2 4.43Å; W10-Y108 AromaticContact CH2-CD2 3.76Å; W10-Y108 HydrophobicContact CH2-CD2 3.76Å; W10-Y108 HydrophobicContact CH2-CE2 4.46Å; W10-Y108 AromaticContact CH2-CG 3.92Å; W10-Y108 HydrophobicContact CH2-CG 3.92Å; W10-Y108 AromaticContact CZ3-CD2 3.25Å; W10-Y108 HydrophobicContact CZ3-CD2 3.25Å; W10-Y108 AromaticContact CZ3-CE2 3.78Å; W10-Y108 HydrophobicContact CZ3-CE2 3.78Å; W10-Y108 AromaticContact CZ3-CG 3.9Å; W10-Y108 HydrophobicContact CZ3-CG 3.9Å; W10-I176 PolarHBondContact N-O 3.46Å; W10-L178 HydrophobicContact CB-CD2 4.23Å; W10-L178 HydrophobicContact CB-CG 4.03Å; W10-L178 HydrophobicContact CG-CD1 4.36Å; W10-L178 HydrophobicContact CG-CD2 4.39Å; W10-L178 HydrophobicContact CG-CG 4.32Å
11A97.5Very high92Very high1 Ų134.6 Ų34.61%0.00818%0.177CC..EExtended strand (participates in β ladder)trans-145.2143.1171.400000109.7P9 L77 I81 G175 I176P9-A11 VanDerWaalsContact C-N 3.33Å; A11-L77 HydrophobicContact CB-CD1 3.8Å; A11-I81 HydrophobicContact CB-CG1 4.17Å; A11-G175 CarbonylContact O-C 3.41Å; A11-G175 WeakPolarHBondContact O-CA 3.24Å; A11-I176 PolarHBondContact O-N 3.49Å
12Y98.1Very high93.3Very high14 Ų1431.6 Ų31.66%0.05516%0.161CC..EExtended strand (participates in β ladder)trans-153.9156.7-177.262.1-73.3000111.8P9 F25 F27 R80 I174 V198P9-Y12 HydrophobicContact CB-CD1 4.08Å; P9-Y12 HydrophobicContact CB-CG 4.32Å; P9-Y12 HydrophobicContact CG-CD1 3.45Å; P9-Y12 VanDerWaalsContact CG-CD1 3.45Å; P9-Y12 HydrophobicContact CG-CE1 4.18Å; P9-Y12 HydrophobicContact CG-CG 3.69Å; Y12-F25 WeakPolarHBondContact CE2-O 3.36Å; Y12-F25 VanDerWaalsContact OH-CD2 3.28Å; Y12-F25 WeakPolarHBondContact OH-CD2 3.47Å; Y12-F25 PolarHBondContact OH-O 2.96Å; Y12-F25 VanDerWaalsContact OH-O 3.12Å; Y12-F27 HydrophobicContact CD2-CD1 4.41Å; Y12-F27 AromaticContact CD2-CE1 3.62Å; Y12-F27 HydrophobicContact CD2-CE1 3.62Å; Y12-F27 AromaticContact CD2-CZ 3.72Å; Y12-F27 HydrophobicContact CD2-CZ 3.72Å; Y12-F27 HydrophobicContact CE2-CD1 4.5Å; Y12-F27 AromaticContact CE2-CE1 3.98Å; Y12-F27 HydrophobicContact CE2-CE1 3.98Å; Y12-R80 WeakPolarHBondContact O-CD 3.46Å; Y12-I174 CarbonylContact C-O 3.55Å; Y12-I174 WeakPolarHBondContact CA-O 3.23Å; Y12-I174 WeakPolarHBondContact CB-O 3.25Å; Y12-V198 HydrophobicContact CD2-CG1 3.81Å; Y12-V198 HydrophobicContact CE2-CG1 3.84Å
13A98.1Very high94.3Very high2 Ų230.4 Ų30.42%0.01715%0.154CC..EExtended strand (participates in β ladder)trans-145.5128.3179.600000110.9E73 R76 L77 G173 I174A13-E73 HydrophobicContact CB-CB 4.22Å; A13-E73 WeakPolarHBondContact CB-O 3.39Å; A13-R76 HydrophobicContact CB-CB 4.31Å; A13-L77 HydrophobicContact CB-CB 4.02Å; A13-G173 VanDerWaalsContact O-CA 3.28Å; A13-G173 WeakPolarHBondContact O-CA 3.3Å; A13-I174 HydrophobicContact CB-CG1 4.48Å; A13-I174 PolarHBondContact N-O 2.89Å; A13-I174 PolarHBondContact O-N 2.98Å
14L97.6Very high94.9Very high3 Ų330 Ų302%0.01615%0.151CC..EExtended strand (participates in β ladder)trans-72.8141.5176-170.771.7000110.2A18 A19 Y22 F27 R76 V172L14-A18 HydrophobicContact CD1-CB 4.01Å; L14-A18 HydrophobicContact CG-CB 4.05Å; L14-A19 HydrophobicContact CD2-CB 4.42Å; L14-Y22 WeakPolarHBondContact CD2-O 3.01Å; L14-F27 VanDerWaalsContact CA-CZ 3.47Å; L14-F27 HydrophobicContact CB-CD1 4.24Å; L14-F27 HydrophobicContact CB-CE1 3.54Å; L14-F27 HydrophobicContact CB-CZ 3.9Å; L14-F27 HydrophobicContact CD1-CD1 3.51Å; L14-F27 HydrophobicContact CD1-CD2 4.1Å; L14-F27 HydrophobicContact CD1-CE1 3.63Å; L14-F27 HydrophobicContact CD1-CE2 4.2Å; L14-F27 HydrophobicContact CD1-CG 3.77Å; L14-F27 HydrophobicContact CD1-CZ 3.98Å; L14-F27 HydrophobicContact CG-CD1 4.41Å; L14-F27 HydrophobicContact CG-CE1 4.17Å; L14-R76 VanDerWaalsContact O-CZ 3.3Å; L14-R76 PolarHBondContact O-NH1 3.21Å; L14-R76 VanDerWaalsContact O-NH1 3.1Å; L14-R76 PolarHBondContact O-NH2 3.5Å; L14-V172 HydrophobicContact CD1-CB 4.16Å; L14-V172 WeakPolarHBondContact CD1-O 3.42Å
15N96.1Very high95.3Very high23 Ų2331.8 Ų31.812%0.12316%0.159CC..  trans-62.1145.3175.2-67.9-14.3000111.7S17 A18 A19 E73 P171 V172 G173N15-S17 PolarHBondContact O-N 3.23Å; N15-A18 HydrophobicContact CB-CB 4.18Å; N15-A18 PolarHBondContact O-N 3.3Å; N15-A19 PolarHBondContact O-N 2.8Å; N15-E73 VanDerWaalsContact OD1-CG 3.27Å; N15-E73 WeakPolarHBondContact OD1-CG 3.22Å; N15-P171 PolarHBondContact ND2-O 3.42Å; N15-V172 VanDerWaalsContact CB-O 3.29Å; N15-V172 WeakPolarHBondContact CB-O 3.39Å; N15-V172 PolarHBondContact N-O 3.26Å; N15-G173 WeakPolarHBondContact OD1-CA 3.47Å
16N94Very high95.4Very high55 Ų5532.7 Ų32.729%0.29417%0.165SC..THydrogen-bonded Turntrans-60.3-35.2178.3-74.3-1.8000112.3A18 A19 I70 P71 R76N16-A18 VanDerWaalsContact C-N 3.28Å; N16-A18 PolarHBondContact O-N 3.47Å; N16-A19 WeakPolarHBondContact O-CB 3.44Å; N16-A19 PolarHBondContact O-N 2.56Å; N16-I70 PolarHBondContact ND2-O 3.48Å; N16-P71 PolarHBondContact ND2-O 2.98Å; N16-P71 PolarHBondContact OD1-O 3.14Å; N16-R76 PolarHBondContact OD1-NH2 3.12Å
17S90.1Very high95.5Very high106 Ų10631.9 Ų31.974%0.74116%0.161SC*.THydrogen-bonded Turntrans-66.3-28.6175.656.50000113.1N15N15-S17 PolarHBondContact O-N 3.23Å
18A92.1Very high95.4Very high7 Ų735 Ų356%0.05818%0.177CC..THydrogen-bonded Turntrans-89.1-21.1179.500000113.1L14 N15 N16 K20 K21 Y22 V172L14-A18 HydrophobicContact CD1-CB 4.01Å; L14-A18 HydrophobicContact CG-CB 4.05Å; N15-A18 HydrophobicContact CB-CB 4.18Å; N15-A18 PolarHBondContact O-N 3.3Å; N16-A18 VanDerWaalsContact C-N 3.28Å; N16-A18 PolarHBondContact O-N 3.47Å; A18-K20 PolarHBondContact O-N 3.19Å; A18-K21 PolarHBondContact O-N 3.37Å; A18-Y22 HydrophobicContact CB-CD2 3.74Å; A18-Y22 HydrophobicContact CB-CE2 4.36Å; A18-Y22 WeakPolarHBondContact O-CD2 3.19Å; A18-Y22 PolarHBondContact O-N 2.79Å; A18-V172 HydrophobicContact CB-CB 4.12Å; A18-V172 HydrophobicContact CB-CG1 4.33Å; A18-V172 WeakPolarHBondContact CB-O 3.5Å
19A93Very high95.2Very high5 Ų537.8 Ų37.84%0.04119%0.19CC..THydrogen-bonded Turntrans-53.6-26.4-173.800000115.5L14 N15 N16 F41L14-A19 HydrophobicContact CD2-CB 4.42Å; N15-A19 PolarHBondContact O-N 2.8Å; N16-A19 WeakPolarHBondContact O-CB 3.44Å; N16-A19 PolarHBondContact O-N 2.56Å; A19-F41 HydrophobicContact CB-CE2 3.62Å; A19-F41 HydrophobicContact CB-CZ 3.79Å
20K91.8Very high95.1Very high169 Ų16938.3 Ų38.374%0.73519%0.192SC*.THydrogen-bonded Turntrans-76.8-28.8176.7-69.4-176.6-178.2177.30113.7A18A18-K20 PolarHBondContact O-N 3.19Å
21K92Very high94.8Very high80 Ų8044.8 Ų44.835%0.34823%0.232SC..THydrogen-bonded Turntrans-111.7-16.9-167.3-63.4179.3-175.5173.50113.7A18 K29 I30 D306A18-K21 PolarHBondContact O-N 3.37Å; K21-K29 CarbonylContact O-C 3.2Å; K21-K29 WeakPolarHBondContact O-CA 3.29Å; K21-I30 PolarHBondContact O-N 2.9Å; K21-D306 IonicContact NZ-OD1 3.5Å; K21-D306 PolarHBondContact NZ-OD1 2.85Å; K21-D306 VanDerWaalsContact NZ-OD1 3.1Å; K21-D306 IonicContact NZ-OD2 3.88Å; K21-D306 PolarHBondContact NZ-OD2 2.92Å
22Y95.6Very high94.6Very high30 Ų3049 Ų4912%0.11826%0.261CS..BIsolated β-bridgetrans-125148.3-172.1-64.6-87.5000112.2L14 A18 F27 N28 K29 I30 V172L14-Y22 WeakPolarHBondContact CD2-O 3.01Å; A18-Y22 HydrophobicContact CB-CD2 3.74Å; A18-Y22 HydrophobicContact CB-CE2 4.36Å; A18-Y22 WeakPolarHBondContact O-CD2 3.19Å; A18-Y22 PolarHBondContact O-N 2.79Å; Y22-F27 WeakPolarHBondContact CD1-O 3.09Å; Y22-N28 WeakPolarHBondContact CA-O 3.5Å; Y22-K29 HydrophobicContact CD1-CB 4.18Å; Y22-K29 HydrophobicContact CE1-CB 4.02Å; Y22-I30 VanDerWaalsContact C-CD1 3.48Å; Y22-I30 WeakPolarHBondContact O-CD1 3.44Å; Y22-V172 HydrophobicContact CD1-CG1 4.25Å; Y22-V172 HydrophobicContact CD2-CG1 3.98Å; Y22-V172 HydrophobicContact CE1-CG1 3.94Å; Y22-V172 HydrophobicContact CE2-CG1 3.68Å; Y22-V172 HydrophobicContact CG-CG1 4.25Å
23C97.4Very high94.4Very high0 Ų051.4 Ų51.40%028%0.278CS..  trans-66.7131.5177.6-177.20000110.3F25 C26 F27 N28 I30 C45C23-F25 PolarHBondContact O-N 2.88Å; C23-C26 WeakPolarHBondContact CB-SG 3.49Å; C23-C26 PolarHBondContact SG-SG 2.93Å; C23-F27 VanDerWaalsContact O-CA 3.27Å; C23-F27 WeakPolarHBondContact O-CA 3.05Å; C23-F27 WeakPolarHBondContact O-CD1 3.39Å; C23-F27 PolarHBondContact O-N 2.94Å; C23-N28 PolarHBondContact N-O 2.88Å; C23-I30 HydrophobicContact CB-CG1 4.26Å; C23-C45 HydrophobicContact CB-CB 4.2Å
24H97.6Very high94.2Very high11 Ų1154.5 Ų54.55%0.05129%0.294CS..THydrogen-bonded Turntrans-70.9-13.7178.8-75.462.1000113.4F41 K43 Y44H24-F41 AromaticContact CD2-CE1 3.93Å; H24-F41 AromaticContact NE2-CD1 3.73Å; H24-F41 AromaticContact NE2-CE1 3.37Å; H24-F41 WeakPolarHBondContact NE2-CE1 3.31Å; H24-F41 AromaticContact NE2-CZ 3.67Å; H24-K43 PolarHBondContact N-O 2.71Å; H24-K43 PolarHBondContact ND1-N 2.89Å; H24-K43 VanDerWaalsContact ND1-N 3.1Å; H24-K43 PolarHBondContact ND1-O 3.15Å; H24-Y44 HydrophobicContact CB-CE1 4.06Å
25F97.5Very high94.2Very high38 Ų3860.8 Ų60.817%0.16732%0.321CS..THydrogen-bonded Turntrans-96.6-57177.2-177.5-108.8000112.4Y12 C23 Y44 C49 K52 A53Y12-F25 WeakPolarHBondContact CE2-O 3.36Å; Y12-F25 VanDerWaalsContact OH-CD2 3.28Å; Y12-F25 WeakPolarHBondContact OH-CD2 3.47Å; Y12-F25 PolarHBondContact OH-O 2.96Å; Y12-F25 VanDerWaalsContact OH-O 3.12Å; C23-F25 PolarHBondContact O-N 2.88Å; F25-Y44 HydrophobicContact CB-CD1 4.12Å; F25-Y44 HydrophobicContact CB-CE1 4.33Å; F25-C49 HydrophobicContact CB-CB 4.11Å; F25-C49 HydrophobicContact CD1-CB 3.98Å; F25-C49 HydrophobicContact CG-CB 4.38Å; F25-K52 HydrophobicContact CD1-CB 4.35Å; F25-K52 HydrophobicContact CD2-CB 4.32Å; F25-K52 HydrophobicContact CE1-CB 3.7Å; F25-K52 HydrophobicContact CE1-CD 3.87Å; F25-K52 HydrophobicContact CE1-CG 4.44Å; F25-K52 HydrophobicContact CE2-CB 3.67Å; F25-K52 HydrophobicContact CZ-CB 3.33Å; F25-K52 HydrophobicContact CZ-CD 3.96Å; F25-K52 HydrophobicContact CZ-CG 4.24Å; F25-A53 HydrophobicContact CB-CB 4.04Å; F25-A53 HydrophobicContact CD2-CB 3.75Å; F25-A53 HydrophobicContact CG-CB 4.17Å
26C96.1Very high94.2Very high19 Ų1960.6 Ų60.613%0.12832%0.321CS..THydrogen-bonded Turntrans-103.6-2.2-172.266.30000114.6C23 N28 G197 V198C23-C26 WeakPolarHBondContact CB-SG 3.49Å; C23-C26 PolarHBondContact SG-SG 2.93Å; C26-N28 PolarHBondContact O-N 2.8Å; C26-G197 CarbonylContact O-C 3.56Å; C26-G197 WeakPolarHBondContact O-CA 3.34Å; C26-V198 PolarHBondContact O-N 2.99Å
27F96.3Very high94.1Very high4 Ų462.6 Ų62.62%0.01834%0.34CS..  trans58.510.1-176.3-73.516.7000115.6Y12 L14 Y22 C23 I164 V172 V198Y12-F27 HydrophobicContact CD2-CD1 4.41Å; Y12-F27 AromaticContact CD2-CE1 3.62Å; Y12-F27 HydrophobicContact CD2-CE1 3.62Å; Y12-F27 AromaticContact CD2-CZ 3.72Å; Y12-F27 HydrophobicContact CD2-CZ 3.72Å; Y12-F27 HydrophobicContact CE2-CD1 4.5Å; Y12-F27 AromaticContact CE2-CE1 3.98Å; Y12-F27 HydrophobicContact CE2-CE1 3.98Å; L14-F27 VanDerWaalsContact CA-CZ 3.47Å; L14-F27 HydrophobicContact CB-CD1 4.24Å; L14-F27 HydrophobicContact CB-CE1 3.54Å; L14-F27 HydrophobicContact CB-CZ 3.9Å; L14-F27 HydrophobicContact CD1-CD1 3.51Å; L14-F27 HydrophobicContact CD1-CD2 4.1Å; L14-F27 HydrophobicContact CD1-CE1 3.63Å; L14-F27 HydrophobicContact CD1-CE2 4.2Å; L14-F27 HydrophobicContact CD1-CG 3.77Å; L14-F27 HydrophobicContact CD1-CZ 3.98Å; L14-F27 HydrophobicContact CG-CD1 4.41Å; L14-F27 HydrophobicContact CG-CE1 4.17Å; Y22-F27 WeakPolarHBondContact CD1-O 3.09Å; C23-F27 VanDerWaalsContact O-CA 3.27Å; C23-F27 WeakPolarHBondContact O-CA 3.05Å; C23-F27 WeakPolarHBondContact O-CD1 3.39Å; C23-F27 PolarHBondContact O-N 2.94Å; F27-I164 HydrophobicContact CD2-CB 4.06Å; F27-I164 HydrophobicContact CD2-CD1 4.44Å; F27-I164 HydrophobicContact CD2-CG2 3.7Å; F27-I164 HydrophobicContact CE2-CB 3.96Å; F27-I164 HydrophobicContact CE2-CD1 3.88Å; F27-I164 HydrophobicContact CE2-CG1 4.5Å; F27-I164 HydrophobicContact CE2-CG2 4.08Å; F27-V172 HydrophobicContact CB-CG2 4.24Å; F27-V172 HydrophobicContact CD2-CG2 3.74Å; F27-V172 HydrophobicContact CE2-CG2 4.49Å; F27-V172 HydrophobicContact CG-CG2 4.29Å; F27-V198 HydrophobicContact CB-CG1 3.89Å; F27-V198 HydrophobicContact CD1-CG1 3.71Å; F27-V198 HydrophobicContact CD2-CG1 3.82Å; F27-V198 HydrophobicContact CE1-CG1 4.15Å; F27-V198 HydrophobicContact CE2-CG1 4.25Å; F27-V198 HydrophobicContact CG-CG1 3.53Å; F27-V198 HydrophobicContact CZ-CG1 4.39Å
28N93.5Very high94.4Very high66 Ų6661.9 Ų61.935%0.35333%0.328SS..PPolyproline II helixtrans-76.6150.8171.8-71.2-28.9000111.8Y22 C23 C26Y22-N28 WeakPolarHBondContact CA-O 3.5Å; C23-N28 PolarHBondContact N-O 2.88Å; C26-N28 PolarHBondContact O-N 2.8Å
29K91.9Very high94.5Very high149 Ų14962.1 Ų62.165%0.64833%0.329SS*.BIsolated β-bridgetrans-64.5135.3-179.9-168.7176.7-180-1780110.3K21 Y22K21-K29 CarbonylContact O-C 3.2Å; K21-K29 WeakPolarHBondContact O-CA 3.29Å; Y22-K29 HydrophobicContact CD1-CB 4.18Å; Y22-K29 HydrophobicContact CE1-CB 4.02Å
30I93Very high94.4Very high20 Ų2071.9 Ų71.910%0.10337%0.365CS..PPolyproline II helixtrans-91.8129.5179.6-60172.6000109.6K21 Y22 C23 S32 P33 K43 C45K21-I30 PolarHBondContact O-N 2.9Å; Y22-I30 VanDerWaalsContact C-CD1 3.48Å; Y22-I30 WeakPolarHBondContact O-CD1 3.44Å; C23-I30 HydrophobicContact CB-CG1 4.26Å; I30-S32 VanDerWaalsContact CG2-C 3.41Å; I30-P33 VanDerWaalsContact CG2-CA 3.46Å; I30-P33 HydrophobicContact CG2-CB 3.78Å; I30-P33 HydrophobicContact CG2-CG 4.43Å; I30-P33 VanDerWaalsContact CG2-N 3.35Å; I30-K43 HydrophobicContact CD1-CB 3.73Å; I30-C45 HydrophobicContact CG1-CB 4.19Å
31T91.5Very high94.6Very high139 Ų13965.2 Ų65.285%0.85334%0.336SS*.SBendtrans-91.4-45.3165.449.90000111.1
32S93.1Very high94.9Very high89 Ų8961.4 Ų61.462%0.62232%0.319SS*.SBendtrans-129.3105.9179-61.50000110.8I30I30-S32 VanDerWaalsContact CG2-C 3.41Å
33P93.5Very high95Very high64 Ų6461.7 Ų61.742%0.41632%0.321SS..  trans-80.1129.6-17228.4-32.3000113.3I30 K43I30-P33 VanDerWaalsContact CG2-CA 3.46Å; I30-P33 HydrophobicContact CG2-CB 3.78Å; I30-P33 HydrophobicContact CG2-CG 4.43Å; I30-P33 VanDerWaalsContact CG2-N 3.35Å; P33-K43 HydrophobicContact CB-CD 4.24Å
34I95.6Very high95Very high68 Ų6862.1 Ų62.135%0.34932%0.323SS..EExtended strand (participates in β ladder)trans-89.1113159-56.9-179.4000107.5K43 Y44 S46 T47I34-K43 CarbonylContact O-C 3.57Å; I34-K43 WeakPolarHBondContact O-CA 3.46Å; I34-Y44 PolarHBondContact N-O 3.26Å; I34-Y44 PolarHBondContact O-N 3.1Å; I34-S46 VanDerWaalsContact CD1-C 3.47Å; I34-T47 VanDerWaalsContact CD1-N 3.32Å
35K96.1Very high95Very high135 Ų13563.9 Ų63.959%0.58734%0.336SS*.EExtended strand (participates in β ladder)trans-91140.1-178.7-59176.4-173.3169.80109.9S37 K43K35-S37 PolarHBondContact O-N 3.23Å; K35-K43 HydrophobicContact CG-CG 4.27Å
36C96.5Very high95Very high18 Ų1864.1 Ų64.112%0.12234%0.342CS..  trans-65.4124164.1177.60000109.2D38 R40 A42 H57 C61C36-D38 VanDerWaalsContact C-N 3.3Å; C36-D38 PolarHBondContact O-N 3.15Å; C36-R40 VanDerWaalsContact O-CA 3.31Å; C36-R40 WeakPolarHBondContact O-CA 3.38Å; C36-R40 PolarHBondContact O-N 2.72Å; C36-A42 HydrophobicContact CB-CB 4.09Å; C36-A42 PolarHBondContact N-O 3.1Å; C36-H57 PolarHBondContact SG-NE2 3.49Å; C36-H57 VanDerWaalsContact SG-NE2 3.45Å; C36-C61 VanDerWaalsContact SG-SG 3.67Å
37S92.8Very high95Very high98 Ų9867.3 Ų67.369%0.68536%0.361SS*.THydrogen-bonded Turntrans-66.6-31.3-179.748.60000113.1K35K35-S37 PolarHBondContact O-N 3.23Å
38D94.9Very high95Very high90 Ų9070.9 Ų70.948%0.48138%0.38SS..THydrogen-bonded Turntrans-78.3-63.1-172.8-65.1-29.9000112.2C36C36-D38 VanDerWaalsContact C-N 3.3Å; C36-D38 PolarHBondContact O-N 3.15Å
39C95.8Very high95.2Very high13 Ų1368.3 Ų68.39%0.08837%0.367CS..THydrogen-bonded Turntrans-83.1-18.5-177.269.50000113.6F41 H57 L64C39-F41 PolarHBondContact O-N 2.98Å; C39-H57 VanDerWaalsContact SG-CE1 3.57Å; C39-L64 HydrophobicContact CB-CB 3.67Å; C39-L64 HydrophobicContact CB-CD1 4.4Å
40R91Very high95.5Very high209 Ų20962.4 Ų62.479%0.78935%0.346SS*.SBendtrans56.91.3-175.7-50.5-177.6-167.8179.94.8116C36C36-R40 VanDerWaalsContact O-CA 3.31Å; C36-R40 WeakPolarHBondContact O-CA 3.38Å; C36-R40 PolarHBondContact O-N 2.72Å
41F95.9Very high95.7Very high30 Ų3067.6 Ų67.613%0.13237%0.37CS..  trans-92-53.5178.2176.7-112.8000111.8A19 H24 C39 L64 I70A19-F41 HydrophobicContact CB-CE2 3.62Å; A19-F41 HydrophobicContact CB-CZ 3.79Å; H24-F41 AromaticContact CD2-CE1 3.93Å; H24-F41 AromaticContact NE2-CD1 3.73Å; H24-F41 AromaticContact NE2-CE1 3.37Å; H24-F41 WeakPolarHBondContact NE2-CE1 3.31Å; H24-F41 AromaticContact NE2-CZ 3.67Å; C39-F41 PolarHBondContact O-N 2.98Å; F41-L64 HydrophobicContact CD1-CD1 3.88Å; F41-L64 HydrophobicContact CD1-CD2 3.98Å; F41-L64 HydrophobicContact CE1-CD2 4.45Å; F41-I70 HydrophobicContact CB-CD1 4.13Å; F41-I70 HydrophobicContact CD1-CG2 4.31Å; F41-I70 HydrophobicContact CD2-CD1 4.26Å; F41-I70 HydrophobicContact CD2-CG1 3.95Å; F41-I70 HydrophobicContact CD2-CG2 3.99Å; F41-I70 HydrophobicContact CE1-CG2 4.02Å; F41-I70 HydrophobicContact CE2-CB 4.48Å; F41-I70 HydrophobicContact CE2-CG1 4.37Å; F41-I70 HydrophobicContact CE2-CG2 3.71Å; F41-I70 HydrophobicContact CG-CD1 4.15Å; F41-I70 HydrophobicContact CG-CG1 4.34Å; F41-I70 HydrophobicContact CG-CG2 4.29Å; F41-I70 HydrophobicContact CZ-CG2 3.71Å
42A97.5Very high95.9Very high0 Ų066.6 Ų66.60%035%0.354CS..  trans-67.6137.5-175.800000112.3C36 Y44 H57C36-A42 HydrophobicContact CB-CB 4.09Å; C36-A42 PolarHBondContact N-O 3.1Å; A42-Y44 HydrophobicContact CB-CE2 4.28Å; A42-H57 WeakPolarHBondContact CB-CE1 3.35Å
43K97.8Very high96.1Very high36 Ų3662.7 Ų62.716%0.15733%0.327CS..EExtended strand (participates in β ladder)trans-135.8142.3180-60.8-177.8-174.9175.20110.9H24 I30 P33 I34 K35H24-K43 PolarHBondContact N-O 2.71Å; H24-K43 PolarHBondContact ND1-N 2.89Å; H24-K43 VanDerWaalsContact ND1-N 3.1Å; H24-K43 PolarHBondContact ND1-O 3.15Å; I30-K43 HydrophobicContact CD1-CB 3.73Å; P33-K43 HydrophobicContact CB-CD 4.24Å; I34-K43 CarbonylContact O-C 3.57Å; I34-K43 WeakPolarHBondContact O-CA 3.46Å; K35-K43 HydrophobicContact CG-CG 4.27Å
44Y97.9Very high96.2Very high9 Ų962 Ų624%0.03533%0.326CS..EExtended strand (participates in β ladder)trans-127.5150.1-178-50.4-74.7000110.7H24 F25 I34 A42 C49 A50 A53 H57H24-Y44 HydrophobicContact CB-CE1 4.06Å; F25-Y44 HydrophobicContact CB-CD1 4.12Å; F25-Y44 HydrophobicContact CB-CE1 4.33Å; I34-Y44 PolarHBondContact N-O 3.26Å; I34-Y44 PolarHBondContact O-N 3.1Å; A42-Y44 HydrophobicContact CB-CE2 4.28Å; Y44-C49 HydrophobicContact CD1-CB 4.47Å; Y44-A50 HydrophobicContact CD1-CB 4.48Å; Y44-A50 HydrophobicContact CD2-CB 3.5Å; Y44-A50 VanDerWaalsContact CD2-CB 3.5Å; Y44-A50 HydrophobicContact CE2-CB 4.05Å; Y44-A50 HydrophobicContact CG-CB 3.74Å; Y44-A53 HydrophobicContact CD1-CB 4.23Å; Y44-A53 HydrophobicContact CE1-CB 3.43Å; Y44-A53 VanDerWaalsContact CE1-CB 3.43Å; Y44-H57 PolarHBondContact OH-CD2 3.23Å
45C96.7Very high96.2Very high48 Ų4863.9 Ų63.932%0.32433%0.334SS..SBendtrans-82.9-15.1177.563.90000113.5C23 I30C23-C45 HydrophobicContact CB-CB 4.2Å; I30-C45 HydrophobicContact CG1-CB 4.19Å
46S96.9Very high96.1Very high43 Ų4359.4 Ų59.430%0.30132%0.315SS..SBendtrans-160.1161.6-179.664.10000111.2I34 N48 C49 A50I34-S46 VanDerWaalsContact CD1-C 3.47Å; S46-N48 VanDerWaalsContact C-N 3.3Å; S46-N48 PolarHBondContact O-N 3.2Å; S46-C49 PolarHBondContact O-N 3.21Å; S46-C49 VanDerWaalsContact O-N 3.12Å; S46-C49 PolarHBondContact OG-N 2.87Å; S46-A50 PolarHBondContact O-N 2.98Å; S46-A50 VanDerWaalsContact O-N 3.14Å
47T96.7Very high96.1Very high85 Ų8559.2 Ų59.252%0.52131%0.312SS..Hα-helixtrans-59.1-43177-47.90000111I34 C49 A50 E51I34-T47 VanDerWaalsContact CD1-N 3.32Å; T47-C49 VanDerWaalsContact C-N 3.29Å; T47-C49 PolarHBondContact O-N 2.98Å; T47-A50 WeakPolarHBondContact O-CA 3.47Å; T47-A50 WeakPolarHBondContact O-CB 3.19Å; T47-A50 PolarHBondContact O-N 2.87Å; T47-E51 HydrophobicContact CG2-CG 4.42Å; T47-E51 WeakPolarHBondContact CG2-OE1 3.49Å; T47-E51 WeakPolarHBondContact O-CG 3.33Å; T47-E51 PolarHBondContact O-N 3.48Å
48N97.3Very high96.3Very high79 Ų7960.9 Ų60.942%0.42231%0.307SS..Hα-helixtrans-54.4-40.5174-179.429.5000112.9S46 K52S46-N48 VanDerWaalsContact C-N 3.3Å; S46-N48 PolarHBondContact O-N 3.2Å; N48-K52 WeakPolarHBondContact O-CB 3.49Å; N48-K52 VanDerWaalsContact O-CG 3.31Å; N48-K52 WeakPolarHBondContact O-CG 3.42Å; N48-K52 PolarHBondContact O-N 3.36Å; N48-K52 WeakPolarHBondContact OD1-CE 3.45Å; N48-K52 PolarHBondContact OD1-NZ 2.72Å
49C97.5Very high96.3Very high12 Ų1257.6 Ų57.68%0.08129%0.291CS..Hα-helixtrans-69.4-37.3175.1-75.40000112.5F25 Y44 S46 T47 A53F25-C49 HydrophobicContact CB-CB 4.11Å; F25-C49 HydrophobicContact CD1-CB 3.98Å; F25-C49 HydrophobicContact CG-CB 4.38Å; Y44-C49 HydrophobicContact CD1-CB 4.47Å; S46-C49 PolarHBondContact O-N 3.21Å; S46-C49 VanDerWaalsContact O-N 3.12Å; S46-C49 PolarHBondContact OG-N 2.87Å; T47-C49 VanDerWaalsContact C-N 3.29Å; T47-C49 PolarHBondContact O-N 2.98Å; C49-A53 VanDerWaalsContact O-CB 3.23Å; C49-A53 WeakPolarHBondContact O-CB 3.41Å; C49-A53 PolarHBondContact O-N 3.04Å
50A97Very high96.3Very high25 Ų2557 Ų5721%0.20729%0.287CS..Hα-helixtrans-65.7-42.6176.900000111.5Y44 S46 T47 A53 A54Y44-A50 HydrophobicContact CD1-CB 4.48Å; Y44-A50 HydrophobicContact CD2-CB 3.5Å; Y44-A50 VanDerWaalsContact CD2-CB 3.5Å; Y44-A50 HydrophobicContact CE2-CB 4.05Å; Y44-A50 HydrophobicContact CG-CB 3.74Å; S46-A50 PolarHBondContact O-N 2.98Å; S46-A50 VanDerWaalsContact O-N 3.14Å; T47-A50 WeakPolarHBondContact O-CA 3.47Å; T47-A50 WeakPolarHBondContact O-CB 3.19Å; T47-A50 PolarHBondContact O-N 2.87Å; A50-A53 PolarHBondContact O-N 2.99Å; A50-A54 PolarHBondContact O-N 3.36Å
51E97.2Very high96.6Very high129 Ų12947.4 Ų47.460%0.60325%0.252SS*.Hα-helixtrans-63.4-50.3177-71.9167.9177.100111.6T47 A53 A54T47-E51 HydrophobicContact CG2-CG 4.42Å; T47-E51 WeakPolarHBondContact CG2-OE1 3.49Å; T47-E51 WeakPolarHBondContact O-CG 3.33Å; T47-E51 PolarHBondContact O-N 3.48Å; E51-A53 PolarHBondContact O-N 3.12Å; E51-A54 WeakPolarHBondContact O-CB 3.41Å; E51-A54 PolarHBondContact O-N 3.41Å
52K96.6Very high96.6Very high119 Ų11953.2 Ų53.252%0.51727%0.273SS..Hα-helixtrans-63.5-30.6177.9-71.3177.5174.7172.90113.1F25 N48 A54F25-K52 HydrophobicContact CD1-CB 4.35Å; F25-K52 HydrophobicContact CD2-CB 4.32Å; F25-K52 HydrophobicContact CE1-CB 3.7Å; F25-K52 HydrophobicContact CE1-CD 3.87Å; F25-K52 HydrophobicContact CE1-CG 4.44Å; F25-K52 HydrophobicContact CE2-CB 3.67Å; F25-K52 HydrophobicContact CZ-CB 3.33Å; F25-K52 HydrophobicContact CZ-CD 3.96Å; F25-K52 HydrophobicContact CZ-CG 4.24Å; N48-K52 WeakPolarHBondContact O-CB 3.49Å; N48-K52 VanDerWaalsContact O-CG 3.31Å; N48-K52 WeakPolarHBondContact O-CG 3.42Å; N48-K52 PolarHBondContact O-N 3.36Å; N48-K52 WeakPolarHBondContact OD1-CE 3.45Å; N48-K52 PolarHBondContact OD1-NZ 2.72Å; K52-A54 VanDerWaalsContact C-N 3.32Å
53A97Very high96.6Very high6 Ų654.1 Ų54.15%0.0528%0.277CS..Hα-helixtrans-75.6-18.517600000113.6F25 Y44 C49 A50 E51 H55 E56 H57F25-A53 HydrophobicContact CB-CB 4.04Å; F25-A53 HydrophobicContact CD2-CB 3.75Å; F25-A53 HydrophobicContact CG-CB 4.17Å; Y44-A53 HydrophobicContact CD1-CB 4.23Å; Y44-A53 HydrophobicContact CE1-CB 3.43Å; Y44-A53 VanDerWaalsContact CE1-CB 3.43Å; C49-A53 VanDerWaalsContact O-CB 3.23Å; C49-A53 WeakPolarHBondContact O-CB 3.41Å; C49-A53 PolarHBondContact O-N 3.04Å; A50-A53 PolarHBondContact O-N 2.99Å; E51-A53 PolarHBondContact O-N 3.12Å; A53-H55 VanDerWaalsContact C-N 3.27Å; A53-H55 PolarHBondContact O-N 2.81Å; A53-E56 PolarHBondContact O-N 3.29Å; A53-H57 WeakPolarHBondContact O-CB 3.44Å; A53-H57 PolarHBondContact O-N 3.24Å
54A96.1Very high96.5Very high49 Ų4952.6 Ų52.641%0.40527%0.271SS..Hα-helixtrans-57.2-39.3-166.600000113.1A50 E51 K52 E56 K58A50-A54 PolarHBondContact O-N 3.36Å; E51-A54 WeakPolarHBondContact O-CB 3.41Å; E51-A54 PolarHBondContact O-N 3.41Å; K52-A54 VanDerWaalsContact C-N 3.32Å; A54-E56 PolarHBondContact O-N 2.83Å; A54-K58 WeakPolarHBondContact O-CB 3.05Å; A54-K58 PolarHBondContact O-N 3.31Å
55H94.8Very high96.5Very high109 Ų10959.3 Ų59.351%0.50530%0.296SS..Hα-helixtrans-60.3-46.7-178.9-179.7-100.9000113.2A53 R87 E89A53-H55 VanDerWaalsContact C-N 3.27Å; A53-H55 PolarHBondContact O-N 2.81Å; H55-R87 PolarHBondContact O-NH1 3.16Å; H55-E89 IonicContact CE1-OE1 3.06Å; H55-E89 PolarHBondContact CE1-OE1 3.36Å; H55-E89 IonicContact CE1-OE2 2.81Å; H55-E89 PolarHBondContact CE1-OE2 3.43Å; H55-E89 IonicContact NE2-OE1 3.44Å; H55-E89 PolarHBondContact NE2-OE1 2.93Å
56E93.6Very high96.4Very high40 Ų4061.1 Ų61.119%0.18731%0.314CS..Hα-helixtrans-83.3-34.8179.2-62.2-163.9150.700112.2A53 A54 P59 R80 K84A53-E56 PolarHBondContact O-N 3.29Å; A54-E56 PolarHBondContact O-N 2.83Å; E56-P59 WeakPolarHBondContact O-CD 3.43Å; E56-P59 VanDerWaalsContact O-CG 3.32Å; E56-P59 WeakPolarHBondContact O-CG 3.44Å; E56-R80 IonicContact OE2-NH1 3.84Å; E56-K84 IonicContact OE1-NZ 2.71Å; E56-K84 PolarHBondContact OE1-NZ 2.48Å
57H97Very high96.2Very high14 Ų1460.3 Ų60.37%0.06531%0.31CS..Hα-helixtrans-75-40.6-176.6178.453.4000112.8C36 C39 A42 Y44 A53 E60 C61C36-H57 PolarHBondContact SG-NE2 3.49Å; C36-H57 VanDerWaalsContact SG-NE2 3.45Å; C39-H57 VanDerWaalsContact SG-CE1 3.57Å; A42-H57 WeakPolarHBondContact CB-CE1 3.35Å; Y44-H57 PolarHBondContact OH-CD2 3.23Å; A53-H57 WeakPolarHBondContact O-CB 3.44Å; A53-H57 PolarHBondContact O-N 3.24Å; H57-E60 IonicContact ND1-OE2 3.38Å; H57-E60 CarbonylContact O-C 3.53Å; H57-E60 PolarHBondContact O-N 2.83Å; H57-E60 VanDerWaalsContact O-N 3.08Å; H57-C61 VanDerWaalsContact O-CB 3.24Å; H57-C61 WeakPolarHBondContact O-CB 3.22Å; H57-C61 PolarHBondContact O-N 3.04Å
58K96.2Very high96Very high134 Ų13466.2 Ų66.258%0.58333%0.332SS*.Hα-helixtrans-50.2-46.9-175-173.8175-175.6177.10115.1A54A54-K58 WeakPolarHBondContact O-CB 3.05Å; A54-K58 PolarHBondContact O-N 3.31Å
59P95.3Very high95.9Very high21 Ų2172 Ų7214%0.13635%0.348CS..Hα-helixtrans-65.4-45176.128.7-38.8000112.2E56 C61 R62 I83E56-P59 WeakPolarHBondContact O-CD 3.43Å; E56-P59 VanDerWaalsContact O-CG 3.32Å; E56-P59 WeakPolarHBondContact O-CG 3.44Å; P59-C61 VanDerWaalsContact C-N 3.33Å; P59-C61 PolarHBondContact O-N 3.19Å; P59-R62 PolarHBondContact O-N 3.35Å; P59-I83 HydrophobicContact CB-CD1 4Å; P59-I83 HydrophobicContact CB-CG2 4.01Å; P59-I83 HydrophobicContact CG-CD1 4.22Å; P59-I83 HydrophobicContact CG-CG2 3.83Å
60E96.1Very high95.8Very high1 Ų173.5 Ų73.51%0.00535%0.354CS..Hα-helixtrans-66.3-34.4178.6-170.2-163.5-136.600111.7H57 R62 L63 L64 R80 Y138H57-E60 IonicContact ND1-OE2 3.38Å; H57-E60 CarbonylContact O-C 3.53Å; H57-E60 PolarHBondContact O-N 2.83Å; H57-E60 VanDerWaalsContact O-N 3.08Å; E60-R62 VanDerWaalsContact C-N 3.26Å; E60-R62 PolarHBondContact O-N 2.82Å; E60-L63 CarbonylContact O-C 3.57Å; E60-L63 WeakPolarHBondContact O-CA 3.08Å; E60-L63 WeakPolarHBondContact O-CB 3.05Å; E60-L63 PolarHBondContact O-N 3.16Å; E60-L64 HydrophobicContact CG-CD1 3.87Å; E60-L64 HydrophobicContact CG-CG 4.06Å; E60-L64 WeakPolarHBondContact O-CG 3.45Å; E60-L64 PolarHBondContact O-N 3.39Å; E60-R80 VanDerWaalsContact CD-NE 3.34Å; E60-R80 IonicContact OE1-CZ 3.62Å; E60-R80 IonicContact OE1-NE 3.33Å; E60-R80 PolarHBondContact OE1-NE 2.95Å; E60-R80 IonicContact OE1-NH2 3.73Å; E60-R80 IonicContact OE2-CZ 2.66Å; E60-R80 IonicContact OE2-NE 3.1Å; E60-R80 PolarHBondContact OE2-NE 3.22Å; E60-R80 IonicContact OE2-NH2 3.43Å; E60-R80 PolarHBondContact OE2-NH2 3.45Å; E60-Y138 WeakPolarHBondContact CG-OH 3.17Å
61C97.6Very high95.8Very high7 Ų772.9 Ų72.95%0.04735%0.348CS..Hα-helixtrans-56.5-41.2179.3-176.80000111.4C36 H57 P59 L64 R65C36-C61 VanDerWaalsContact SG-SG 3.67Å; H57-C61 VanDerWaalsContact O-CB 3.24Å; H57-C61 WeakPolarHBondContact O-CB 3.22Å; H57-C61 PolarHBondContact O-N 3.04Å; P59-C61 VanDerWaalsContact C-N 3.33Å; P59-C61 PolarHBondContact O-N 3.19Å; C61-L64 PolarHBondContact O-N 3.49Å; C61-R65 VanDerWaalsContact O-CB 3.29Å; C61-R65 WeakPolarHBondContact O-CB 2.9Å; C61-R65 PolarHBondContact O-N 2.65Å
62R95.9Very high95.7Very high152 Ų15270 Ų7057%0.57434%0.337SS*.Hα-helixtrans-63.7-41.5175.8-64.5176-179.4175.3-2.7111.6P59 E60 A66P59-R62 PolarHBondContact O-N 3.35Å; E60-R62 VanDerWaalsContact C-N 3.26Å; E60-R62 PolarHBondContact O-N 2.82Å; R62-A66 PolarHBondContact O-N 2.87Å
63L96.7Very high95.7Very high18 Ų1866.6 Ų66.69%0.09432%0.323CS..Hα-helixtrans-67.3-46.3177-55.9178.1000111E60 R65 A66 A67 I83 Y138 M139 M143E60-L63 CarbonylContact O-C 3.57Å; E60-L63 WeakPolarHBondContact O-CA 3.08Å; E60-L63 WeakPolarHBondContact O-CB 3.05Å; E60-L63 PolarHBondContact O-N 3.16Å; L63-R65 VanDerWaalsContact C-N 3.32Å; L63-R65 PolarHBondContact O-N 2.94Å; L63-A66 PolarHBondContact O-N 2.82Å; L63-A67 WeakPolarHBondContact O-CB 3.37Å; L63-A67 PolarHBondContact O-N 3.05Å; L63-I83 HydrophobicContact CD1-CD1 4.39Å; L63-Y138 HydrophobicContact CB-CD2 4.28Å; L63-Y138 HydrophobicContact CB-CE1 4.21Å; L63-Y138 HydrophobicContact CB-CE2 3.63Å; L63-Y138 HydrophobicContact CD1-CE1 4.05Å; L63-M139 HydrophobicContact CD1-CE 4.36Å; L63-M139 HydrophobicContact CD1-CG 4.11Å; L63-M143 HydrophobicContact CD2-SD 4.41Å
64L97.1Very high95.7Very high4 Ų470 Ų702%0.02134%0.337CS..Hα-helixtrans-61.5-38.4177.3-68.9166.6000112.4C39 F41 E60 C61 A66 A67 I70 Y138C39-L64 HydrophobicContact CB-CB 3.67Å; C39-L64 HydrophobicContact CB-CD1 4.4Å; F41-L64 HydrophobicContact CD1-CD1 3.88Å; F41-L64 HydrophobicContact CD1-CD2 3.98Å; F41-L64 HydrophobicContact CE1-CD2 4.45Å; E60-L64 HydrophobicContact CG-CD1 3.87Å; E60-L64 HydrophobicContact CG-CG 4.06Å; E60-L64 WeakPolarHBondContact O-CG 3.45Å; E60-L64 PolarHBondContact O-N 3.39Å; C61-L64 PolarHBondContact O-N 3.49Å; L64-A66 VanDerWaalsContact C-N 3.31Å; L64-A67 PolarHBondContact O-N 3.33Å; L64-I70 HydrophobicContact CD2-CD1 3.94Å; L64-I70 HydrophobicContact CD2-CG2 4.13Å; L64-Y138 HydrophobicContact CD2-CE2 4.34Å; L64-Y138 WeakPolarHBondContact CD2-OH 3.43Å; L64-Y138 WeakPolarHBondContact CG-OH 3.25Å
65R96.4Very high95.8Very high151 Ų15168 Ų6857%0.5732%0.319SS*.Hα-helixtrans-65.7-34.8176.7-176.5-179.167.6-162.53.8112.2C61 L63C61-R65 VanDerWaalsContact O-CB 3.29Å; C61-R65 WeakPolarHBondContact O-CB 2.9Å; C61-R65 PolarHBondContact O-N 2.65Å; L63-R65 VanDerWaalsContact C-N 3.32Å; L63-R65 PolarHBondContact O-N 2.94Å
66A94.6Very high96Very high85 Ų8562.9 Ų62.970%0.70230%0.295SS*.Hα-helixtrans-86.3-16-179.900000113.5R62 L63 L64R62-A66 PolarHBondContact O-N 2.87Å; L63-A66 PolarHBondContact O-N 2.82Å; L64-A66 VanDerWaalsContact C-N 3.31Å
67A94.5Very high96.2Very high26 Ų2661 Ų6122%0.21529%0.287CS..  trans-75.5127.6-175.800000112L63 L64 R69 Y138L63-A67 WeakPolarHBondContact O-CB 3.37Å; L63-A67 PolarHBondContact O-N 3.05Å; L64-A67 PolarHBondContact O-N 3.33Å; A67-R69 VanDerWaalsContact C-N 3.27Å; A67-R69 PolarHBondContact O-N 3.41Å; A67-Y138 HydrophobicContact CB-CD2 4.06Å; A67-Y138 HydrophobicContact CB-CE2 4.07Å
68E92Very high96.2Very high209 Ų20960.3 Ų60.398%0.97728%0.283SS*.SBendtrans-62.5-37.4172-64.5179.9178.400112
69R94.1Very high96.3Very high202 Ų20254 Ų5476%0.76226%0.256SS*.SBendtrans-133.4134.6176.7-170.4177.571.7102.3-1.7109.7A67 P71A67-R69 VanDerWaalsContact C-N 3.27Å; A67-R69 PolarHBondContact O-N 3.41Å; R69-P71 VanDerWaalsContact O-CD 3.26Å; R69-P71 WeakPolarHBondContact O-CD 3.44Å
70I95.8Very high96.5Very high42 Ų4254 Ų5422%0.21525%0.253CS..PPolyproline II helixtrans-63.9120.1175.4-53.3-58.6000109.5N16 F41 L64N16-I70 PolarHBondContact ND2-O 3.48Å; F41-I70 HydrophobicContact CB-CD1 4.13Å; F41-I70 HydrophobicContact CD1-CG2 4.31Å; F41-I70 HydrophobicContact CD2-CD1 4.26Å; F41-I70 HydrophobicContact CD2-CG1 3.95Å; F41-I70 HydrophobicContact CD2-CG2 3.99Å; F41-I70 HydrophobicContact CE1-CG2 4.02Å; F41-I70 HydrophobicContact CE2-CB 4.48Å; F41-I70 HydrophobicContact CE2-CG1 4.37Å; F41-I70 HydrophobicContact CE2-CG2 3.71Å; F41-I70 HydrophobicContact CG-CD1 4.15Å; F41-I70 HydrophobicContact CG-CG1 4.34Å; F41-I70 HydrophobicContact CG-CG2 4.29Å; F41-I70 HydrophobicContact CZ-CG2 3.71Å; L64-I70 HydrophobicContact CD2-CD1 3.94Å; L64-I70 HydrophobicContact CD2-CG2 4.13Å
71P96.3Very high96.5Very high13 Ų1354 Ų548%0.08425%0.253CS..PPolyproline II helixtrans-62.8159.6175.6-18.930.8000111.9N16 R69 I75 R76 Y138N16-P71 PolarHBondContact ND2-O 2.98Å; N16-P71 PolarHBondContact OD1-O 3.14Å; R69-P71 VanDerWaalsContact O-CD 3.26Å; R69-P71 WeakPolarHBondContact O-CD 3.44Å; P71-I75 HydrophobicContact CB-CB 3.64Å; P71-I75 HydrophobicContact CB-CG1 4.23Å; P71-I75 HydrophobicContact CB-CG2 3.66Å; P71-I75 HydrophobicContact CG-CG2 4.24Å; P71-R76 HydrophobicContact CB-CG 4.38Å; P71-R76 PolarHBondContact O-NE 2.87Å; P71-Y138 HydrophobicContact CG-CD1 3.94Å; P71-Y138 HydrophobicContact CG-CD2 3.38Å; P71-Y138 HydrophobicContact CG-CE1 4.18Å; P71-Y138 HydrophobicContact CG-CE2 3.67Å; P71-Y138 HydrophobicContact CG-CG 3.53Å
72N96.1Very high96.6Very high69 Ų6953.8 Ų53.837%0.36925%0.251SS..PPolyproline II helixtrans-66.2169.3173.571.231.4000111.3K74 I75 R76N72-K74 VanDerWaalsContact C-N 3.28Å; N72-K74 PolarHBondContact O-N 3.42Å; N72-K74 WeakPolarHBondContact OD1-CB 3.38Å; N72-K74 PolarHBondContact OD1-N 3.13Å; N72-I75 PolarHBondContact O-N 2.72Å; N72-I75 WeakPolarHBondContact OD1-CG1 3.33Å; N72-I75 PolarHBondContact OD1-N 2.75Å; N72-R76 PolarHBondContact O-N 3.37Å
73E96.8Very high96.6Very high46 Ų4647 Ų4722%0.21523%0.226CC..Hα-helixtrans-58.1-33.6-179.261.8-74.9163.400113.9A13 N15 R76 L77 I174A13-E73 HydrophobicContact CB-CB 4.22Å; A13-E73 WeakPolarHBondContact CB-O 3.39Å; N15-E73 VanDerWaalsContact OD1-CG 3.27Å; N15-E73 WeakPolarHBondContact OD1-CG 3.22Å; E73-R76 PolarHBondContact O-N 3.24Å; E73-L77 VanDerWaalsContact O-CB 3.24Å; E73-L77 WeakPolarHBondContact O-CB 3.33Å; E73-L77 PolarHBondContact O-N 2.86Å; E73-I174 HydrophobicContact CB-CD1 4.12Å; E73-I174 HydrophobicContact CB-CG1 4.15Å; E73-I174 HydrophobicContact CG-CD1 3.76Å; E73-I174 HydrophobicContact CG-CG1 4.03Å
74K97.2Very high96.6Very high78 Ų7847.3 Ų47.334%0.33923%0.227SC..Hα-helixtrans-67.3-45.3178.1-70.3-176.8176.3178.30111.4N72 R76 L77 M78 E127 I174N72-K74 VanDerWaalsContact C-N 3.28Å; N72-K74 PolarHBondContact O-N 3.42Å; N72-K74 WeakPolarHBondContact OD1-CB 3.38Å; N72-K74 PolarHBondContact OD1-N 3.13Å; K74-R76 VanDerWaalsContact C-N 3.35Å; K74-L77 PolarHBondContact O-N 2.72Å; K74-M78 WeakPolarHBondContact O-CB 3.47Å; K74-M78 PolarHBondContact O-N 2.79Å; K74-E127 IonicContact NZ-OE1 3.07Å; K74-E127 PolarHBondContact NZ-OE1 3.47Å; K74-I174 HydrophobicContact CG-CD1 4.04Å
75I98.1Very high96.6Very high7 Ų748.5 Ų48.54%0.03623%0.233CC..Hα-helixtrans-63.9-43.1176.4-55-49.8000110.4P71 N72 M78 S79 I131 A134 L135 Y138P71-I75 HydrophobicContact CB-CB 3.64Å; P71-I75 HydrophobicContact CB-CG1 4.23Å; P71-I75 HydrophobicContact CB-CG2 3.66Å; P71-I75 HydrophobicContact CG-CG2 4.24Å; N72-I75 PolarHBondContact O-N 2.72Å; N72-I75 WeakPolarHBondContact OD1-CG1 3.33Å; N72-I75 PolarHBondContact OD1-N 2.75Å; I75-M78 PolarHBondContact O-N 3.21Å; I75-S79 WeakPolarHBondContact O-CB 3.27Å; I75-S79 PolarHBondContact O-N 3.38Å; I75-I131 HydrophobicContact CD1-CB 3.86Å; I75-I131 HydrophobicContact CD1-CG1 3.7Å; I75-I131 HydrophobicContact CD1-CG2 3.73Å; I75-A134 HydrophobicContact CD1-CB 3.67Å; I75-A134 HydrophobicContact CG1-CB 3.84Å; I75-A134 HydrophobicContact CG2-CB 4.33Å; I75-L135 HydrophobicContact CG2-CD2 3.77Å; I75-L135 HydrophobicContact CG2-CG 4.23Å; I75-Y138 HydrophobicContact CG2-CD1 4.11Å
76R98.1Very high96.5Very high2 Ų246.1 Ų46.11%0.00823%0.229CC..Hα-helixtrans-65.3-42.9177.4-75.9-173.3-69.9105.43.4112.2A13 L14 N16 P71 N72 E73 K74 S79 R80 Y138A13-R76 HydrophobicContact CB-CB 4.31Å; L14-R76 VanDerWaalsContact O-CZ 3.3Å; L14-R76 PolarHBondContact O-NH1 3.21Å; L14-R76 VanDerWaalsContact O-NH1 3.1Å; L14-R76 PolarHBondContact O-NH2 3.5Å; N16-R76 PolarHBondContact OD1-NH2 3.12Å; P71-R76 HydrophobicContact CB-CG 4.38Å; P71-R76 PolarHBondContact O-NE 2.87Å; N72-R76 PolarHBondContact O-N 3.37Å; E73-R76 PolarHBondContact O-N 3.24Å; K74-R76 VanDerWaalsContact C-N 3.35Å; R76-S79 PolarHBondContact O-N 2.75Å; R76-S79 PolarHBondContact O-OG 3.3Å; R76-R80 WeakPolarHBondContact O-CG 3.3Å; R76-R80 PolarHBondContact O-N 2.97Å; R76-Y138 HydrophobicContact CG-CE1 4.45Å
77L98.4Very high96.5Very high0 Ų047 Ų470%021%0.214CC..Hα-helixtrans-58.3-52173.8178.960.5000110.4A11 A13 E73 K74 S79 R80 I81 M157 V161 I174A11-L77 HydrophobicContact CB-CD1 3.8Å; A13-L77 HydrophobicContact CB-CB 4.02Å; E73-L77 VanDerWaalsContact O-CB 3.24Å; E73-L77 WeakPolarHBondContact O-CB 3.33Å; E73-L77 PolarHBondContact O-N 2.86Å; K74-L77 PolarHBondContact O-N 2.72Å; L77-S79 VanDerWaalsContact C-N 3.28Å; L77-S79 PolarHBondContact O-N 3.25Å; L77-R80 WeakPolarHBondContact O-CA 3.25Å; L77-R80 WeakPolarHBondContact O-CB 3.34Å; L77-R80 PolarHBondContact O-N 3.13Å; L77-I81 HydrophobicContact CD1-CG1 4.46Å; L77-I81 HydrophobicContact CG-CD1 4.16Å; L77-I81 WeakPolarHBondContact O-CG1 3.22Å; L77-I81 PolarHBondContact O-N 3.26Å; L77-M157 HydrophobicContact CB-SD 4.47Å; L77-M157 HydrophobicContact CD2-CG 4.05Å; L77-M157 HydrophobicContact CD2-SD 4.02Å; L77-M157 HydrophobicContact CG-SD 4.1Å; L77-V161 HydrophobicContact CD2-CG2 3.93Å; L77-I174 HydrophobicContact CB-CD1 4.15Å; L77-I174 HydrophobicContact CD2-CD1 3.67Å; L77-I174 HydrophobicContact CD2-CG1 3.99Å
78M98Very high96.6Very high0 Ų048.4 Ų48.40%023%0.231CC..Hα-helixtrans-60.8-38179.5-165.6155.6169.400112.2K74 I75 R80 I81 L82 I131 L135 L150 I153 M157K74-M78 WeakPolarHBondContact O-CB 3.47Å; K74-M78 PolarHBondContact O-N 2.79Å; I75-M78 PolarHBondContact O-N 3.21Å; M78-R80 VanDerWaalsContact C-N 3.32Å; M78-R80 PolarHBondContact O-N 3.06Å; M78-I81 PolarHBondContact O-N 2.78Å; M78-L82 VanDerWaalsContact O-CG 3.31Å; M78-L82 WeakPolarHBondContact O-CG 3.49Å; M78-L82 PolarHBondContact O-N 3.05Å; M78-I131 HydrophobicContact CE-CG2 4.36Å; M78-I131 HydrophobicContact SD-CG2 3.43Å; M78-I131 WeakPolarHBondContact SD-CG2 3.4Å; M78-L135 HydrophobicContact CB-CD1 4.35Å; M78-L135 HydrophobicContact CB-CD2 4.44Å; M78-L135 HydrophobicContact CE-CD1 3.81Å; M78-L135 HydrophobicContact CG-CD1 3.8Å; M78-L135 HydrophobicContact SD-CD1 3.81Å; M78-L150 HydrophobicContact CE-CD1 3.28Å; M78-L150 HydrophobicContact CE-CG 3.66Å; M78-I153 HydrophobicContact CE-CG2 4.4Å; M78-M157 HydrophobicContact CB-CE 4.38Å; M78-M157 HydrophobicContact CB-SD 3.86Å; M78-M157 HydrophobicContact CG-SD 4.36Å; M78-M157 HydrophobicContact SD-CE 4Å; M78-M157 HydrophobicContact SD-SD 4.47Å
79S98.1Very high96.7Very high0 Ų040.8 Ų40.80%020%0.195CC..Hα-helixtrans-61.7-39.3173.5800000112.7I75 R76 L77 L82 I83 M139I75-S79 WeakPolarHBondContact O-CB 3.27Å; I75-S79 PolarHBondContact O-N 3.38Å; R76-S79 PolarHBondContact O-N 2.75Å; R76-S79 PolarHBondContact O-OG 3.3Å; L77-S79 VanDerWaalsContact C-N 3.28Å; L77-S79 PolarHBondContact O-N 3.25Å; S79-L82 PolarHBondContact O-N 3.48Å; S79-I83 WeakPolarHBondContact O-CD1 3.47Å; S79-I83 WeakPolarHBondContact O-CG1 3.44Å; S79-I83 PolarHBondContact O-N 2.83Å; S79-M139 VanDerWaalsContact CB-SD 3.53Å
80R97.8Very high96.7Very high22 Ų2233.7 Ų33.78%0.08317%0.171CC..Hα-helixtrans-67.4-41.8176.6-72.3168.3170.7-108.53.4111.2Y12 E56 E60 R76 L77 M78 I83 K84Y12-R80 WeakPolarHBondContact O-CD 3.46Å; E56-R80 IonicContact OE2-NH1 3.84Å; E60-R80 VanDerWaalsContact CD-NE 3.34Å; E60-R80 IonicContact OE1-CZ 3.62Å; E60-R80 IonicContact OE1-NE 3.33Å; E60-R80 PolarHBondContact OE1-NE 2.95Å; E60-R80 IonicContact OE1-NH2 3.73Å; E60-R80 IonicContact OE2-CZ 2.66Å; E60-R80 IonicContact OE2-NE 3.1Å; E60-R80 PolarHBondContact OE2-NE 3.22Å; E60-R80 IonicContact OE2-NH2 3.43Å; E60-R80 PolarHBondContact OE2-NH2 3.45Å; R76-R80 WeakPolarHBondContact O-CG 3.3Å; R76-R80 PolarHBondContact O-N 2.97Å; L77-R80 WeakPolarHBondContact O-CA 3.25Å; L77-R80 WeakPolarHBondContact O-CB 3.34Å; L77-R80 PolarHBondContact O-N 3.13Å; M78-R80 VanDerWaalsContact C-N 3.32Å; M78-R80 PolarHBondContact O-N 3.06Å; R80-I83 PolarHBondContact O-N 2.73Å; R80-K84 WeakPolarHBondContact O-CG 3.4Å; R80-K84 PolarHBondContact O-N 3.01Å
81I97.8Very high96.5Very high0 Ų034.9 Ų34.90%019%0.186CC..Hα-helixtrans-56.4-53.1173.7-62.2174.6000109.7W10 A11 L77 M78 I83 K84 L85 Y108 I153 M157 I176W10-I81 HydrophobicContact CH2-CB 4.44Å; W10-I81 HydrophobicContact CH2-CG2 4.03Å; W10-I81 HydrophobicContact CZ3-CB 4.17Å; W10-I81 HydrophobicContact CZ3-CG1 3.85Å; W10-I81 HydrophobicContact CZ3-CG2 3.94Å; A11-I81 HydrophobicContact CB-CG1 4.17Å; L77-I81 HydrophobicContact CD1-CG1 4.46Å; L77-I81 HydrophobicContact CG-CD1 4.16Å; L77-I81 WeakPolarHBondContact O-CG1 3.22Å; L77-I81 PolarHBondContact O-N 3.26Å; M78-I81 PolarHBondContact O-N 2.78Å; I81-I83 VanDerWaalsContact C-N 3.32Å; I81-I83 PolarHBondContact O-N 3.48Å; I81-K84 PolarHBondContact O-N 3.47Å; I81-K84 VanDerWaalsContact O-N 3.11Å; I81-L85 HydrophobicContact CG2-CD1 3.92Å; I81-L85 HydrophobicContact CG2-CG 4.24Å; I81-L85 WeakPolarHBondContact O-CG 3.42Å; I81-L85 PolarHBondContact O-N 2.92Å; I81-Y108 HydrophobicContact CD1-CE2 4.18Å; I81-Y108 HydrophobicContact CG2-CD2 4.47Å; I81-Y108 HydrophobicContact CG2-CE1 4.08Å; I81-Y108 HydrophobicContact CG2-CE2 3.88Å; I81-I153 HydrophobicContact CG2-CG2 3.73Å; I81-M157 HydrophobicContact CD1-CB 3.91Å; I81-M157 HydrophobicContact CD1-CG 3.81Å; I81-M157 HydrophobicContact CD1-SD 3.98Å; I81-I176 HydrophobicContact CD1-CD1 3.51Å; I81-I176 HydrophobicContact CG1-CD1 4.36Å
82L97.9Very high95.9Very high3 Ų335.9 Ų35.92%0.01619%0.193CC..Hα-helixtrans-57.6-42.4179.3-69171.6000112.9M78 S79 Q86 L135 M139 L144 P145 L150 I153M78-L82 VanDerWaalsContact O-CG 3.31Å; M78-L82 WeakPolarHBondContact O-CG 3.49Å; M78-L82 PolarHBondContact O-N 3.05Å; S79-L82 PolarHBondContact O-N 3.48Å; L82-Q86 WeakPolarHBondContact O-CB 3.41Å; L82-Q86 WeakPolarHBondContact O-CG 2.97Å; L82-Q86 PolarHBondContact O-N 2.72Å; L82-L135 HydrophobicContact CD1-CD1 4.31Å; L82-L135 HydrophobicContact CD1-CD2 4.49Å; L82-M139 HydrophobicContact CB-CE 4.16Å; L82-M139 HydrophobicContact CD1-CE 4.28Å; L82-M139 HydrophobicContact CD1-SD 3.76Å; L82-L144 HydrophobicContact CD1-CD2 3.98Å; L82-P145 HydrophobicContact CD2-CG 3.9Å; L82-L150 HydrophobicContact CD1-CD1 4.03Å; L82-L150 HydrophobicContact CD2-CD1 4.03Å; L82-I153 HydrophobicContact CD2-CD1 3.75Å
83I97.1Very high95Very high9 Ų933.5 Ų33.55%0.04619%0.185CC..Hα-helixtrans-62.5-43.7176.1-71.2159.4000111.4P59 L63 S79 R80 I81 Q86 R87 M139 M143P59-I83 HydrophobicContact CB-CD1 4Å; P59-I83 HydrophobicContact CB-CG2 4.01Å; P59-I83 HydrophobicContact CG-CD1 4.22Å; P59-I83 HydrophobicContact CG-CG2 3.83Å; L63-I83 HydrophobicContact CD1-CD1 4.39Å; S79-I83 WeakPolarHBondContact O-CD1 3.47Å; S79-I83 WeakPolarHBondContact O-CG1 3.44Å; S79-I83 PolarHBondContact O-N 2.83Å; R80-I83 PolarHBondContact O-N 2.73Å; I81-I83 VanDerWaalsContact C-N 3.32Å; I81-I83 PolarHBondContact O-N 3.48Å; I83-Q86 PolarHBondContact O-N 2.75Å; I83-R87 WeakPolarHBondContact O-CG 3.49Å; I83-R87 PolarHBondContact O-N 3.26Å; I83-M139 HydrophobicContact CD1-CE 4.48Å; I83-M139 HydrophobicContact CG1-CE 4.21Å; I83-M143 HydrophobicContact CD1-CE 3.97Å; I83-M143 HydrophobicContact CG1-CE 3.38Å
84K97.1Very high94.4Very high25 Ų2535.7 Ų35.711%0.10920%0.203CC..Hα-helixtrans-68.1-42.8-179.8-69.2-172.683.6148.20111.7W10 E56 R80 I81 Q86 R87 G88 E89W10-K84 HydrophobicContact CH2-CB 3.93Å; W10-K84 HydrophobicContact CH2-CD 4.46Å; W10-K84 HydrophobicContact CZ2-CB 3.63Å; W10-K84 HydrophobicContact CZ2-CD 4.07Å; W10-K84 HydrophobicContact CZ2-CG 4.46Å; W10-K84 PolarHBondContact O-NZ 3.11Å; E56-K84 IonicContact OE1-NZ 2.71Å; E56-K84 PolarHBondContact OE1-NZ 2.48Å; R80-K84 WeakPolarHBondContact O-CG 3.4Å; R80-K84 PolarHBondContact O-N 3.01Å; I81-K84 PolarHBondContact O-N 3.47Å; I81-K84 VanDerWaalsContact O-N 3.11Å; K84-Q86 VanDerWaalsContact C-N 3.32Å; K84-Q86 PolarHBondContact O-N 3.43Å; K84-R87 CarbonylContact O-C 3.57Å; K84-R87 PolarHBondContact O-N 3.26Å; K84-G88 PolarHBondContact O-N 2.88Å; K84-E89 HydrophobicContact CB-CB 4.13Å; K84-E89 WeakPolarHBondContact CE-OE2 3.48Å; K84-E89 PolarHBondContact O-N 3.41Å
85L96.2Very high94Very high30 Ų3034.7 Ų34.716%0.15720%0.197CC..Hα-helixtrans-59.5-42.2175.2-65.4-179.8000111.6W10 I81 R87 G88 E90 Y108 I153W10-L85 HydrophobicContact CH2-CD2 4.22Å; W10-L85 HydrophobicContact CH2-CG 4.45Å; I81-L85 HydrophobicContact CG2-CD1 3.92Å; I81-L85 HydrophobicContact CG2-CG 4.24Å; I81-L85 WeakPolarHBondContact O-CG 3.42Å; I81-L85 PolarHBondContact O-N 2.92Å; L85-R87 PolarHBondContact O-N 3.04Å; L85-G88 PolarHBondContact O-N 3.13Å; L85-E90 HydrophobicContact CD2-CG 3.7Å; L85-Y108 HydrophobicContact CD1-CD1 4.2Å; L85-Y108 HydrophobicContact CD1-CE1 4.18Å; L85-Y108 HydrophobicContact CD2-CD1 3.87Å; L85-Y108 HydrophobicContact CD2-CG 4.23Å; L85-I153 HydrophobicContact CD1-CD1 3.68Å; L85-I153 HydrophobicContact CD1-CG1 3.99Å
86Q94.8Very high93.4Very high100 Ų10038.1 Ų38.147%0.46722%0.218SC..Hα-helixtrans-62.9-21.5175.1-79.8165.311.200114.5L82 I83 K84 M143L82-Q86 WeakPolarHBondContact O-CB 3.41Å; L82-Q86 WeakPolarHBondContact O-CG 2.97Å; L82-Q86 PolarHBondContact O-N 2.72Å; I83-Q86 PolarHBondContact O-N 2.75Å; K84-Q86 VanDerWaalsContact C-N 3.32Å; K84-Q86 PolarHBondContact O-N 3.43Å; Q86-M143 PolarHBondContact NE2-O 2.91Å
87R95.3Very high92.7Very high105 Ų10542.5 Ų42.540%0.39624%0.242SC..THydrogen-bonded Turntrans-95.8-2.2176.8-64.9175.5-177.4-177.6-7.2112.9H55 I83 K84 L85 E89H55-R87 PolarHBondContact O-NH1 3.16Å; I83-R87 WeakPolarHBondContact O-CG 3.49Å; I83-R87 PolarHBondContact O-N 3.26Å; K84-R87 CarbonylContact O-C 3.57Å; K84-R87 PolarHBondContact O-N 3.26Å; L85-R87 PolarHBondContact O-N 3.04Å; R87-E89 HydrophobicContact CB-CG 3.81Å; R87-E89 WeakPolarHBondContact CB-OE1 3.26Å; R87-E89 WeakPolarHBondContact CD-OE1 3.37Å; R87-E89 IonicContact NH1-OE1 3.47Å; R87-E89 PolarHBondContact NH1-OE1 2.86Å; R87-E89 PolarHBondContact O-N 3.31Å
88G95.1Very high92.2Very high55 Ų5544.7 Ų44.757%0.56726%0.255SS*.THydrogen-bonded Turntrans68.818.9-172.400000113.7K84 L85 E90K84-G88 PolarHBondContact O-N 2.88Å; L85-G88 PolarHBondContact O-N 3.13Å; G88-E90 PolarHBondContact O-N 3.36Å
89E94.8Very high91.7Very high48 Ų4847 Ų4722%0.22427%0.267CS..  trans-84.452.9-177.6-67.1172.7-156.100111.8W10 H55 K84 R87W10-E89 VanDerWaalsContact CE2-O 3.28Å; W10-E89 VanDerWaalsContact CZ2-O 3.23Å; W10-E89 WeakPolarHBondContact CZ2-O 3.47Å; W10-E89 PolarHBondContact NE1-O 3.11Å; H55-E89 IonicContact CE1-OE1 3.06Å; H55-E89 PolarHBondContact CE1-OE1 3.36Å; H55-E89 IonicContact CE1-OE2 2.81Å; H55-E89 PolarHBondContact CE1-OE2 3.43Å; H55-E89 IonicContact NE2-OE1 3.44Å; H55-E89 PolarHBondContact NE2-OE1 2.93Å; K84-E89 HydrophobicContact CB-CB 4.13Å; K84-E89 WeakPolarHBondContact CE-OE2 3.48Å; K84-E89 PolarHBondContact O-N 3.41Å; R87-E89 HydrophobicContact CB-CG 3.81Å; R87-E89 WeakPolarHBondContact CB-OE1 3.26Å; R87-E89 WeakPolarHBondContact CD-OE1 3.37Å; R87-E89 IonicContact NH1-OE1 3.47Å; R87-E89 PolarHBondContact NH1-OE1 2.86Å; R87-E89 PolarHBondContact O-N 3.31Å
90E93.9Very high91.3Very high54 Ų5447.5 Ų47.525%0.25227%0.27SS..  trans-84.2-20.8-173.9-66.5179.1-143.700114L85 G88 S107 Y108 H109L85-E90 HydrophobicContact CD2-CG 3.7Å; G88-E90 PolarHBondContact O-N 3.36Å; E90-S107 WeakPolarHBondContact O-CA 3.34Å; E90-S107 PolarHBondContact OE2-OG 3.08Å; E90-Y108 PolarHBondContact O-N 3.36Å; E90-Y108 VanDerWaalsContact O-N 3.15Å; E90-H109 IonicContact OE1-CD2 3.01Å; E90-H109 IonicContact OE1-NE2 3.25Å; E90-H109 IonicContact OE2-CD2 2.75Å; E90-H109 PolarHBondContact OE2-CD2 3.48Å; E90-H109 IonicContact OE2-CG 3.82Å; E90-H109 IonicContact OE2-NE2 2.79Å
91A91.4Very high90.9Very high66 Ų6652.4 Ų52.455%0.54529%0.294SS..SBendtrans-61.8150.1-177.800000112.2W10 N106W10-A91 PolarHBondContact NE1-O 3.46Å; A91-N106 WeakPolarHBondContact CA-O 3.32Å
92P84.5Confident90.6Very high34 Ų3456 Ų5622%0.22131%0.313CS..  trans-56153.1178.325.3-38.4000113R95 N106 L178P92-R95 VanDerWaalsContact CB-CZ 3.49Å; P92-R95 VanDerWaalsContact CB-NH2 3.28Å; P92-R95 VanDerWaalsContact CG-NH2 3.32Å; P92-N106 WeakPolarHBondContact CD-O 3.28Å; P92-L178 HydrophobicContact CB-CB 4.46Å; P92-L178 HydrophobicContact CB-CD1 3.99Å
93G77.6Confident90.3Very high19 Ų1959.1 Ų59.120%0.19633%0.327CS..  trans-65.6176.2166.500000112.2R95G93-R95 PolarHBondContact O-N 2.9Å
94P84.1Confident90Very high93 Ų9363.7 Ų63.760%0.60435%0.351SS*.  trans-56.1132.9176.6-24.233.8000112K8K8-P94 PolarHBondContact N-O 2.95Å
95R87Confident89.8Confident57 Ų5763.6 Ų63.622%0.21535%0.35CS..EExtended strand (participates in β ladder)trans-112.9135.4172.9-60.4164.1177.3160-8.1108.2E6 P92 G93 V98 Y105 T179E6-R95 WeakPolarHBondContact O-CA 3.4Å; P92-R95 VanDerWaalsContact CB-CZ 3.49Å; P92-R95 VanDerWaalsContact CB-NH2 3.28Å; P92-R95 VanDerWaalsContact CG-NH2 3.32Å; G93-R95 PolarHBondContact O-N 2.9Å; R95-V98 HydrophobicContact CB-CG2 3.75Å; R95-Y105 PolarHBondContact NH2-O 3.28Å; R95-T179 PolarHBondContact NE-OG1 3.34Å; R95-T179 PolarHBondContact NH2-OG1 3.2Å
96V85.7Confident89.5Confident78 Ų7866.5 Ų66.547%0.47337%0.366SS..EExtended strand (participates in β ladder)trans-133.7160.8172-61.10000109.7E6 V98E6-V96 HydrophobicContact CB-CG2 3.53Å; E6-V96 WeakPolarHBondContact CB-O 3.37Å; E6-V96 HydrophobicContact CG-CG2 4.06Å; E6-V96 PolarHBondContact N-O 3.4Å; E6-V96 PolarHBondContact O-N 2.8Å; E6-V96 WeakPolarHBondContact OE2-CG2 3.46Å; V96-V98 VanDerWaalsContact C-N 3.32Å; V96-V98 PolarHBondContact O-N 2.71Å
97N83.2Confident89.6Confident94 Ų9462.7 Ų62.750%0.50335%0.35SS..SBendtrans50.151.3-178.9-65-24.8000112.7V4 L5 E6 N99V4-N97 CarbonylContact C-O 3.59Å; L5-N97 WeakPolarHBondContact CA-O 3.18Å; L5-N97 PolarHBondContact N-O 2.64Å; E6-N97 HydrophobicContact CG-CB 4.3Å; E6-N97 PolarHBondContact OE1-ND2 3.22Å; N97-N99 PolarHBondContact O-N 3.42Å
98V88.3Confident89.6Confident47 Ų4757.7 Ų57.729%0.28533%0.332SS..  trans-87.795.4-178.8-172.50000109.5L5 R95 V96 L100 F103L5-V98 HydrophobicContact CD1-CG1 4.48Å; L5-V98 HydrophobicContact CD1-CG2 3.89Å; R95-V98 HydrophobicContact CB-CG2 3.75Å; V96-V98 VanDerWaalsContact C-N 3.32Å; V96-V98 PolarHBondContact O-N 2.71Å; V98-L100 HydrophobicContact CG1-CB 4.32Å; V98-F103 HydrophobicContact CG1-CD1 4.36Å; V98-F103 HydrophobicContact CG1-CE1 3.49Å; V98-F103 VanDerWaalsContact CG1-CE1 3.49Å; V98-F103 HydrophobicContact CG1-CZ 3.98Å
99N88Confident89.6Confident47 Ų4758.5 Ų58.525%0.25132%0.32SS..  trans-107.258.3174-62.7-11000108.9V4 N97 P214V4-N99 HydrophobicContact CB-CB 4.5Å; V4-N99 PolarHBondContact O-N 3.1Å; N97-N99 PolarHBondContact O-N 3.42Å; N99-P214 VanDerWaalsContact O-CD 3.31Å; N99-P214 WeakPolarHBondContact O-CD 3.23Å
100L89.4Confident89.7Confident11 Ų1159.4 Ų59.46%0.05833%0.327CS..  trans-119.5140.9176-66.9171.9000108.6V4 L5 V98 F103 T179 L216 I219V4-L100 HydrophobicContact CB-CD2 4.39Å; V4-L100 HydrophobicContact CG2-CD2 4.34Å; L5-L100 HydrophobicContact CB-CD1 4.2Å; L5-L100 HydrophobicContact CD2-CD1 4.09Å; V98-L100 HydrophobicContact CG1-CB 4.32Å; L100-F103 HydrophobicContact CB-CD1 3.97Å; L100-F103 HydrophobicContact CB-CE1 4.36Å; L100-F103 HydrophobicContact CD1-CD1 4.1Å; L100-T179 HydrophobicContact CD1-CG2 4.25Å; L100-L216 HydrophobicContact CD1-CD1 3.97Å; L100-L216 HydrophobicContact CD2-CD1 4.21Å; L100-I219 HydrophobicContact CD2-CD1 3.38Å
101Q90.4Very high89.9Confident125 Ų12557 Ų5758%0.58432%0.316SS*.SBendtrans-69.3-39.5175.7-178.7170.7-9.900111.3K213 P214 E215Q101-K213 HydrophobicContact CB-CB 4.38Å; Q101-K213 WeakPolarHBondContact CB-O 3.31Å; Q101-P214 PolarHBondContact N-O 3.32Å; Q101-E215 HydrophobicContact CB-CG 4.41Å
102D91.1Very high89.9Confident77 Ų7756.8 Ų56.841%0.41230%0.303SS..  trans-149.2149.9-173.161.4-15.8000112.3E215 L216D102-E215 WeakPolarHBondContact OD1-CA 3.4Å; D102-L216 WeakPolarHBondContact O-CB 3.41Å; D102-L216 PolarHBondContact OD1-N 3.31Å
103F90.5Very high90.3Very high67 Ų6756.1 Ų56.129%0.29430%0.299SS..  trans-170.4146.1167.351.9-88.5000107.6V98 L100 T179 L216V98-F103 HydrophobicContact CG1-CD1 4.36Å; V98-F103 HydrophobicContact CG1-CE1 3.49Å; V98-F103 VanDerWaalsContact CG1-CE1 3.49Å; V98-F103 HydrophobicContact CG1-CZ 3.98Å; L100-F103 HydrophobicContact CB-CD1 3.97Å; L100-F103 HydrophobicContact CB-CE1 4.36Å; L100-F103 HydrophobicContact CD1-CD1 4.1Å; F103-T179 HydrophobicContact CB-CG2 4Å; F103-T179 HydrophobicContact CD2-CG2 4.35Å; F103-T179 HydrophobicContact CG-CG2 4.08Å; F103-L216 HydrophobicContact CB-CD2 4.01Å
104N91.5Very high91Very high105 Ų10556 Ų5656%0.56130%0.296SS*.  trans-127.4-8.3-168.564.50.4000115.7N106 Q182N104-N106 PolarHBondContact O-N 3.13Å; N104-N106 VanDerWaalsContact O-N 3.15Å; N104-N106 PolarHBondContact O-ND2 3.4Å; N104-N106 VanDerWaalsContact O-ND2 3.16Å; N104-Q182 PolarHBondContact OD1-OE1 3.4Å
105Y92.8Very high91.5Very high23 Ų2354.2 Ų54.29%0.0928%0.279CS..  trans-75.5109.3176.4-65.95.6000110.4R95 D110 L111 E112 L178 Q182R95-Y105 PolarHBondContact NH2-O 3.28Å; Y105-D110 WeakPolarHBondContact CA-OD2 3.49Å; Y105-D110 HydrophobicContact CD1-CB 3.54Å; Y105-D110 HydrophobicContact CD2-CB 4.32Å; Y105-D110 HydrophobicContact CE1-CB 4.12Å; Y105-D110 VanDerWaalsContact CE1-O 3.28Å; Y105-D110 WeakPolarHBondContact CE1-O 3.44Å; Y105-D110 WeakPolarHBondContact CE2-O 3.48Å; Y105-D110 HydrophobicContact CG-CB 3.67Å; Y105-D110 PolarHBondContact OH-O 2.76Å; Y105-L111 HydrophobicContact CD2-CD2 3.88Å; Y105-L111 HydrophobicContact CE2-CD2 4.05Å; Y105-E112 WeakPolarHBondContact OH-CG 3.33Å; Y105-L178 VanDerWaalsContact CD2-O 3.3Å; Y105-L178 WeakPolarHBondContact CD2-O 3.43Å; Y105-Q182 VanDerWaalsContact CB-NE2 3.31Å; Y105-Q182 HydrophobicContact CD1-CG 3.54Å; Y105-Q182 HydrophobicContact CD2-CG 3.37Å; Y105-Q182 HydrophobicContact CE1-CG 3.7Å; Y105-Q182 HydrophobicContact CE2-CG 3.51Å; Y105-Q182 HydrophobicContact CG-CG 3.37Å; Y105-Q182 VanDerWaalsContact N-NE2 3.13Å
106N91.1Very high91.9Very high91 Ų9160.2 Ų60.249%0.48731%0.307SS..  trans-117.3-7.3-179.7-66.6-53.8000112.5A91 P92 N104 D110A91-N106 WeakPolarHBondContact CA-O 3.32Å; P92-N106 WeakPolarHBondContact CD-O 3.28Å; N104-N106 PolarHBondContact O-N 3.13Å; N104-N106 VanDerWaalsContact O-N 3.15Å; N104-N106 PolarHBondContact O-ND2 3.4Å; N104-N106 VanDerWaalsContact O-ND2 3.16Å; N106-D110 PolarHBondContact N-OD2 2.78Å
107S95.5Very high92.5Very high20 Ų2060.7 Ų60.714%0.1430%0.304CS..SBendtrans-137.4156.9173.4161.20000110.7E90 H109 D110E90-S107 WeakPolarHBondContact O-CA 3.34Å; E90-S107 PolarHBondContact OE2-OG 3.08Å; S107-H109 PolarHBondContact O-N 3.32Å; S107-H109 PolarHBondContact OG-N 2.99Å; S107-D110 PolarHBondContact N-OD2 2.81Å; S107-D110 WeakPolarHBondContact O-CB 3.47Å; S107-D110 PolarHBondContact O-N 3.29Å; S107-D110 VanDerWaalsContact O-N 3.14Å
108Y96.3Very high93.1Very high0 Ų056.2 Ų56.20%028%0.28CS..G310 helixtrans-50.4-34.1164179.1-98.1000113.1W10 I81 L85 E90 D110 L111 I153 R156 I176W10-Y108 AromaticContact CE3-CD2 3.77Å; W10-Y108 HydrophobicContact CE3-CD2 3.77Å; W10-Y108 HydrophobicContact CE3-CE2 4.43Å; W10-Y108 AromaticContact CH2-CD2 3.76Å; W10-Y108 HydrophobicContact CH2-CD2 3.76Å; W10-Y108 HydrophobicContact CH2-CE2 4.46Å; W10-Y108 AromaticContact CH2-CG 3.92Å; W10-Y108 HydrophobicContact CH2-CG 3.92Å; W10-Y108 AromaticContact CZ3-CD2 3.25Å; W10-Y108 HydrophobicContact CZ3-CD2 3.25Å; W10-Y108 AromaticContact CZ3-CE2 3.78Å; W10-Y108 HydrophobicContact CZ3-CE2 3.78Å; W10-Y108 AromaticContact CZ3-CG 3.9Å; W10-Y108 HydrophobicContact CZ3-CG 3.9Å; I81-Y108 HydrophobicContact CD1-CE2 4.18Å; I81-Y108 HydrophobicContact CG2-CD2 4.47Å; I81-Y108 HydrophobicContact CG2-CE1 4.08Å; I81-Y108 HydrophobicContact CG2-CE2 3.88Å; L85-Y108 HydrophobicContact CD1-CD1 4.2Å; L85-Y108 HydrophobicContact CD1-CE1 4.18Å; L85-Y108 HydrophobicContact CD2-CD1 3.87Å; L85-Y108 HydrophobicContact CD2-CG 4.23Å; E90-Y108 PolarHBondContact O-N 3.36Å; E90-Y108 VanDerWaalsContact O-N 3.15Å; Y108-D110 PolarHBondContact O-N 3.46Å; Y108-L111 HydrophobicContact CD2-CD1 3.55Å; Y108-L111 HydrophobicContact CE2-CD1 3.65Å; Y108-L111 HydrophobicContact CG-CD1 4.32Å; Y108-L111 WeakPolarHBondContact O-CB 3.22Å; Y108-L111 VanDerWaalsContact O-CG 3.29Å; Y108-L111 WeakPolarHBondContact O-CG 3.4Å; Y108-L111 PolarHBondContact O-N 3.12Å; Y108-I153 HydrophobicContact CE1-CG2 4.37Å; Y108-I153 PolarHBondContact OH-O 3.34Å; Y108-R156 HydrophobicContact CE1-CB 4.19Å; Y108-R156 WeakPolarHBondContact OH-CB 3.19Å; Y108-I176 HydrophobicContact CE2-CD1 3.84Å
109H95.5Very high93.5Very high72 Ų7256.7 Ų56.733%0.33329%0.289SS..G310 helixtrans-69.5-18.5-178.8-74.6-55.3000114E90 S107 L111 R156E90-H109 IonicContact OE1-CD2 3.01Å; E90-H109 IonicContact OE1-NE2 3.25Å; E90-H109 IonicContact OE2-CD2 2.75Å; E90-H109 PolarHBondContact OE2-CD2 3.48Å; E90-H109 IonicContact OE2-CG 3.82Å; E90-H109 IonicContact OE2-NE2 2.79Å; S107-H109 PolarHBondContact O-N 3.32Å; S107-H109 PolarHBondContact OG-N 2.99Å; H109-L111 PolarHBondContact O-N 2.99Å; H109-R156 PolarHBondContact O-NE 3.33Å
110D96.3Very high93.9Very high67 Ų6758.7 Ų58.736%0.35831%0.312SS..G310 helixtrans-72.7-16.5175.6-59.5-38.2000112.7Y105 N106 S107 Y108 E112Y105-D110 WeakPolarHBondContact CA-OD2 3.49Å; Y105-D110 HydrophobicContact CD1-CB 3.54Å; Y105-D110 HydrophobicContact CD2-CB 4.32Å; Y105-D110 HydrophobicContact CE1-CB 4.12Å; Y105-D110 VanDerWaalsContact CE1-O 3.28Å; Y105-D110 WeakPolarHBondContact CE1-O 3.44Å; Y105-D110 WeakPolarHBondContact CE2-O 3.48Å; Y105-D110 HydrophobicContact CG-CB 3.67Å; Y105-D110 PolarHBondContact OH-O 2.76Å; N106-D110 PolarHBondContact N-OD2 2.78Å; S107-D110 PolarHBondContact N-OD2 2.81Å; S107-D110 WeakPolarHBondContact O-CB 3.47Å; S107-D110 PolarHBondContact O-N 3.29Å; S107-D110 VanDerWaalsContact O-N 3.14Å; Y108-D110 PolarHBondContact O-N 3.46Å; D110-E112 PolarHBondContact O-N 3.4Å
111L96.9Very high94.2Very high4 Ų459.8 Ų59.82%0.02132%0.318CS..SBendtrans-62.7133.4177.7-64.4175.1000111.5Y105 Y108 H109 R156 N160 I176 L178 S181Y105-L111 HydrophobicContact CD2-CD2 3.88Å; Y105-L111 HydrophobicContact CE2-CD2 4.05Å; Y108-L111 HydrophobicContact CD2-CD1 3.55Å; Y108-L111 HydrophobicContact CE2-CD1 3.65Å; Y108-L111 HydrophobicContact CG-CD1 4.32Å; Y108-L111 WeakPolarHBondContact O-CB 3.22Å; Y108-L111 VanDerWaalsContact O-CG 3.29Å; Y108-L111 WeakPolarHBondContact O-CG 3.4Å; Y108-L111 PolarHBondContact O-N 3.12Å; H109-L111 PolarHBondContact O-N 2.99Å; L111-R156 HydrophobicContact CB-CB 4.19Å; L111-R156 HydrophobicContact CB-CG 4.2Å; L111-R156 WeakPolarHBondContact O-CG 3.48Å; L111-R156 PolarHBondContact O-NE 2.82Å; L111-N160 HydrophobicContact CD1-CB 4.34Å; L111-N160 HydrophobicContact CD2-CB 4.08Å; L111-I176 HydrophobicContact CD1-CG2 3.74Å; L111-L178 HydrophobicContact CD1-CD2 4.02Å; L111-L178 HydrophobicContact CD2-CD2 4.08Å; L111-L178 HydrophobicContact CG-CD2 4.12Å; L111-S181 VanDerWaalsContact CD2-CB 3.49Å
112E93.4Very high94.5Very high61 Ų6161.4 Ų61.429%0.28533%0.325SS..  trans-66.3136.6176.3-46.7-174.1-17200111Y105 D110 R159 N160 K184Y105-E112 WeakPolarHBondContact OH-CG 3.33Å; D110-E112 PolarHBondContact O-N 3.4Å; E112-R159 WeakPolarHBondContact O-CD 3.42Å; E112-R159 IonicContact OE2-CZ 2.65Å; E112-R159 IonicContact OE2-NH1 2.66Å; E112-R159 PolarHBondContact OE2-NH1 3.31Å; E112-R159 IonicContact OE2-NH2 3.92Å; E112-R159 PolarHBondContact OE2-NH2 3.11Å; E112-N160 PolarHBondContact O-ND2 3.04Å; E112-K184 IonicContact OE1-NZ 3.83Å; E112-K184 PolarHBondContact OE1-NZ 2.77Å
113S92.4Very high94.7Very high20 Ų2063.1 Ų63.114%0.1433%0.331CS..  trans-105.1-32.9-173.863.80000114.8E115 C155S113-E115 WeakPolarHBondContact CB-OE1 3.31Å; S113-E115 PolarHBondContact O-N 3.5Å; S113-E115 VanDerWaalsContact OG-CG 3.31Å; S113-E115 WeakPolarHBondContact OG-CG 3.31Å; S113-E115 PolarHBondContact OG-OE1 3.21Å; S113-C155 WeakPolarHBondContact O-CB 3.25Å
114C91.6Very high94.9Very high17 Ų1761.7 Ų61.712%0.11532%0.324CS..  trans51.840.7-168.1-87.50000112.8K116 E117 M118 R159 Y242C114-K116 VanDerWaalsContact C-N 3.28Å; C114-K116 PolarHBondContact O-N 3.45Å; C114-E117 WeakPolarHBondContact CA-OE2 3.23Å; C114-E117 HydrophobicContact CB-CB 4.35Å; C114-E117 WeakPolarHBondContact CB-OE2 3.29Å; C114-E117 PolarHBondContact O-N 2.91Å; C114-M118 WeakPolarHBondContact O-CB 3.35Å; C114-M118 WeakPolarHBondContact O-CG 3.05Å; C114-M118 PolarHBondContact O-N 3.33Å; C114-R159 PolarHBondContact SG-NH1 3.04Å; C114-Y242 HydrophobicContact CB-CD2 3.7Å; C114-Y242 HydrophobicContact CB-CE2 4Å
115E95Very high95.2Very high56 Ų5659.6 Ų59.626%0.26231%0.311SS..Hα-helixtrans-55-40.7-176.4-83160.6-127.600113.1S113 A119 K152 C155 R156S113-E115 WeakPolarHBondContact CB-OE1 3.31Å; S113-E115 PolarHBondContact O-N 3.5Å; S113-E115 VanDerWaalsContact OG-CG 3.31Å; S113-E115 WeakPolarHBondContact OG-CG 3.31Å; S113-E115 PolarHBondContact OG-OE1 3.21Å; E115-A119 VanDerWaalsContact O-CB 3.25Å; E115-A119 WeakPolarHBondContact O-CB 3.31Å; E115-A119 PolarHBondContact O-N 3.43Å; E115-K152 HydrophobicContact CG-CG 4.32Å; E115-K152 WeakPolarHBondContact OE2-CG 3.11Å; E115-C155 HydrophobicContact CG-CB 4.06Å; E115-R156 IonicContact OE1-NH1 3.96Å
116K96.2Very high95.4Very high183 Ų18364.3 Ų64.380%0.79634%0.335SS*.Hα-helixtrans-69.1-46-177.9-67.7-177-179.51790111.6C114 A119 A120C114-K116 VanDerWaalsContact C-N 3.28Å; C114-K116 PolarHBondContact O-N 3.45Å; K116-A119 PolarHBondContact O-N 2.9Å; K116-A120 PolarHBondContact O-N 3.33Å
117E96.8Very high95.6Very high88 Ų8862.1 Ų62.141%0.41132%0.322SS..Hα-helixtrans-66-42.6179.4-59.980.6-179.400110.8C114 A119 A120 D121 Y242C114-E117 WeakPolarHBondContact CA-OE2 3.23Å; C114-E117 HydrophobicContact CB-CB 4.35Å; C114-E117 WeakPolarHBondContact CB-OE2 3.29Å; C114-E117 PolarHBondContact O-N 2.91Å; E117-A119 PolarHBondContact O-N 3.02Å; E117-A120 PolarHBondContact O-N 3.48Å; E117-D121 PolarHBondContact O-N 2.86Å; E117-Y242 HydrophobicContact CB-CD1 3.77Å; E117-Y242 HydrophobicContact CB-CD2 3.8Å; E117-Y242 HydrophobicContact CB-CE1 4.17Å; E117-Y242 HydrophobicContact CB-CE2 4.19Å; E117-Y242 HydrophobicContact CB-CG 3.57Å; E117-Y242 HydrophobicContact CG-CD2 4.47Å; E117-Y242 HydrophobicContact CG-CG 4.05Å
118M95.5Very high95.7Very high0 Ų061.7 Ų61.70%032%0.318CS..Hα-helixtrans-67-34.8176.9-72.1-165.9-176.400113.2C114 A120 D121 F151 Y154 C155 A158 R159 Y242C114-M118 WeakPolarHBondContact O-CB 3.35Å; C114-M118 WeakPolarHBondContact O-CG 3.05Å; C114-M118 PolarHBondContact O-N 3.33Å; M118-A120 PolarHBondContact O-N 3.31Å; M118-D121 PolarHBondContact O-N 3.01Å; M118-F151 HydrophobicContact CB-CZ 4.12Å; M118-Y154 HydrophobicContact SD-CE1 4.3Å; M118-C155 VanDerWaalsContact SD-CA 3.52Å; M118-C155 HydrophobicContact SD-CB 3.72Å; M118-A158 HydrophobicContact CE-CB 3.99Å; M118-A158 HydrophobicContact SD-CB 4.39Å; M118-R159 HydrophobicContact CE-CB 3.96Å; M118-Y242 HydrophobicContact CE-CE2 3.97Å; M118-Y242 HydrophobicContact CG-CE2 3.7Å; M118-Y242 WeakPolarHBondContact CG-OH 3.37Å
119A96.7Very high95.8Very high57 Ų5764.9 Ų64.947%0.47134%0.339SS..Hα-helixtrans-67.9-26.7176.900000112.8E115 K116 E117 F151E115-A119 VanDerWaalsContact O-CB 3.25Å; E115-A119 WeakPolarHBondContact O-CB 3.31Å; E115-A119 PolarHBondContact O-N 3.43Å; K116-A119 PolarHBondContact O-N 2.9Å; E117-A119 PolarHBondContact O-N 3.02Å; A119-F151 HydrophobicContact CB-CE1 4.1Å; A119-F151 HydrophobicContact CB-CZ 4.12Å
120A96.8Very high95.9Very high88 Ų8865.3 Ų65.373%0.72735%0.35SS*.Hα-helixtrans-88.4-9.2176.300000113.5K116 E117 M118K116-A120 PolarHBondContact O-N 3.33Å; E117-A120 PolarHBondContact O-N 3.48Å; M118-A120 PolarHBondContact O-N 3.31Å
121D96.3Very high95.9Very high35 Ų3562.5 Ų62.519%0.18734%0.335CS..  trans-93.7107.1179.6-176.8-29.3000110.6E117 M118 E123 R124 M125E117-D121 PolarHBondContact O-N 2.86Å; M118-D121 PolarHBondContact O-N 3.01Å; D121-E123 VanDerWaalsContact C-N 3.31Å; D121-E123 PolarHBondContact O-N 2.88Å; D121-E123 WeakPolarHBondContact OD1-CB 3.28Å; D121-E123 PolarHBondContact OD1-N 2.94Å; D121-R124 HydrophobicContact CB-CB 3.96Å; D121-R124 HydrophobicContact CB-CG 3.83Å; D121-R124 PolarHBondContact O-N 3.28Å; D121-R124 PolarHBondContact OD1-N 3.39Å; D121-R124 VanDerWaalsContact OD1-N 3.14Å; D121-R124 WeakPolarHBondContact OD2-CG 3.45Å; D121-M125 WeakPolarHBondContact O-CG 3.49Å; D121-M125 PolarHBondContact O-N 3.25Å
122E96.7Very high96Very high158 Ų15864.5 Ų64.574%0.73835%0.345SS*.Hα-helixtrans-59.4-37.4-178.4-65-177.2178.200113.3R124 M125 M126E122-R124 VanDerWaalsContact C-N 3.32Å; E122-R124 PolarHBondContact O-N 2.83Å; E122-M125 PolarHBondContact O-N 3.34Å; E122-M126 WeakPolarHBondContact O-CE 3.46Å; E122-M126 WeakPolarHBondContact O-CG 3.33Å; E122-M126 PolarHBondContact O-N 3Å
123E95Very high96.1Very high113 Ų11368.8 Ų68.853%0.52836%0.362SS..Hα-helixtrans-65.5-40.3179.2-170-177.9161.300110.1D121 E127 K239D121-E123 VanDerWaalsContact C-N 3.31Å; D121-E123 PolarHBondContact O-N 2.88Å; D121-E123 WeakPolarHBondContact OD1-CB 3.28Å; D121-E123 PolarHBondContact OD1-N 2.94Å; E123-E127 PolarHBondContact O-N 2.8Å; E123-K239 IonicContact OE1-NZ 3.7Å; E123-K239 PolarHBondContact OE1-NZ 3.29Å; E123-K239 WeakPolarHBondContact OE2-CE 3.07Å; E123-K239 IonicContact OE2-NZ 3.69Å; E123-K239 PolarHBondContact OE2-NZ 2.97Å
124R95.2Very high96.3Very high38 Ų3869.5 Ų69.514%0.14337%0.37CS..Hα-helixtrans-70.2-40.5176.7-65.9-66.4-173177.67.3113.1D121 E122 M126 E127 F128 Y242D121-R124 HydrophobicContact CB-CB 3.96Å; D121-R124 HydrophobicContact CB-CG 3.83Å; D121-R124 PolarHBondContact O-N 3.28Å; D121-R124 PolarHBondContact OD1-N 3.39Å; D121-R124 VanDerWaalsContact OD1-N 3.14Å; D121-R124 WeakPolarHBondContact OD2-CG 3.45Å; E122-R124 VanDerWaalsContact C-N 3.32Å; E122-R124 PolarHBondContact O-N 2.83Å; R124-M126 VanDerWaalsContact C-N 3.33Å; R124-E127 IonicContact NH1-OE2 3.57Å; R124-E127 PolarHBondContact NH1-OE2 3.04Å; R124-E127 VanDerWaalsContact NH1-OE2 3.13Å; R124-E127 PolarHBondContact O-N 3.03Å; R124-F128 WeakPolarHBondContact O-CB 3.5Å; R124-F128 PolarHBondContact O-N 3.05Å; R124-Y242 WeakPolarHBondContact CG-OH 3.43Å
125M97.1Very high96.6Very high60 Ų6068.7 Ų68.730%0.29636%0.364SS..Hα-helixtrans-64-40.4175.9-71.8-55.5-60.400111.4D121 E122 F128 C129 F151D121-M125 WeakPolarHBondContact O-CG 3.49Å; D121-M125 PolarHBondContact O-N 3.25Å; E122-M125 PolarHBondContact O-N 3.34Å; M125-F128 HydrophobicContact CE-CD1 4.3Å; M125-F128 PolarHBondContact O-N 3.49Å; M125-C129 PolarHBondContact O-N 3.46Å; M125-C129 PolarHBondContact O-SG 2.82Å; M125-F151 HydrophobicContact CE-CE2 4.26Å; M125-F151 HydrophobicContact SD-CD2 4.29Å; M125-F151 HydrophobicContact SD-CE2 3.37Å; M125-F151 WeakPolarHBondContact SD-CE2 3.43Å; M125-F151 HydrophobicContact SD-CZ 3.6Å; M125-F151 VanDerWaalsContact SD-CZ 3.6Å
126M97.3Very high96.7Very high123 Ų12371.4 Ų71.461%0.60638%0.377SS*.Hα-helixtrans-62.6-42.4172.3-79.1-171.9-79.600112.9E122 R124 S130E122-M126 WeakPolarHBondContact O-CE 3.46Å; E122-M126 WeakPolarHBondContact O-CG 3.33Å; E122-M126 PolarHBondContact O-N 3Å; R124-M126 VanDerWaalsContact C-N 3.33Å; M126-S130 PolarHBondContact O-N 3.02Å; M126-S130 VanDerWaalsContact O-N 3.11Å; M126-S130 PolarHBondContact O-OG 3.3Å
127E95.7Very high96.7Very high45 Ų4568.7 Ų68.721%0.2138%0.375CS..Hα-helixtrans-59.8-48.1173.8-178.8179.6-152.600110.9K74 E123 R124 S130 I131 Y154K74-E127 IonicContact NZ-OE1 3.07Å; K74-E127 PolarHBondContact NZ-OE1 3.47Å; E123-E127 PolarHBondContact O-N 2.8Å; R124-E127 IonicContact NH1-OE2 3.57Å; R124-E127 PolarHBondContact NH1-OE2 3.04Å; R124-E127 VanDerWaalsContact NH1-OE2 3.13Å; R124-E127 PolarHBondContact O-N 3.03Å; E127-S130 WeakPolarHBondContact O-CB 3.26Å; E127-S130 PolarHBondContact O-N 3.49Å; E127-I131 HydrophobicContact CG-CD1 3.9Å; E127-I131 WeakPolarHBondContact O-CG1 3.42Å; E127-I131 PolarHBondContact O-N 3.04Å; E127-Y154 HydrophobicContact CG-CE2 4.28Å; E127-Y154 PolarHBondContact OE2-OH 2.98Å
128F97.7Very high96.7Very high10 Ų1065.2 Ų65.24%0.04436%0.358CS..Hα-helixtrans-58.6-49.2178.6172-112.2000112.2R124 M125 S130 I131 Q132 L150 F151 Y154R124-F128 WeakPolarHBondContact O-CB 3.5Å; R124-F128 PolarHBondContact O-N 3.05Å; M125-F128 HydrophobicContact CE-CD1 4.3Å; M125-F128 PolarHBondContact O-N 3.49Å; F128-S130 VanDerWaalsContact C-N 3.25Å; F128-S130 PolarHBondContact O-N 2.68Å; F128-I131 PolarHBondContact O-N 3.4Å; F128-I131 VanDerWaalsContact O-N 3.09Å; F128-Q132 WeakPolarHBondContact O-CB 3.2Å; F128-Q132 PolarHBondContact O-N 2.67Å; F128-L150 HydrophobicContact CE2-CB 4.49Å; F128-L150 HydrophobicContact CE2-CD2 4.38Å; F128-L150 HydrophobicContact CE2-CG 4.1Å; F128-L150 HydrophobicContact CZ-CB 4.41Å; F128-L150 HydrophobicContact CZ-CD2 4.44Å; F128-L150 HydrophobicContact CZ-CG 4.38Å; F128-F151 HydrophobicContact CB-CD2 4.38Å; F128-F151 HydrophobicContact CB-CE2 4.45Å; F128-F151 AromaticContact CD1-CD2 3.61Å; F128-F151 HydrophobicContact CD1-CD2 3.61Å; F128-F151 HydrophobicContact CD1-CE2 4.24Å; F128-F151 AromaticContact CD2-CD2 3.88Å; F128-F151 HydrophobicContact CD2-CD2 3.88Å; F128-F151 HydrophobicContact CE1-CB 3.99Å; F128-F151 AromaticContact CE1-CD2 3.76Å; F128-F151 HydrophobicContact CE1-CD2 3.76Å; F128-F151 HydrophobicContact CE1-CG 4.29Å; F128-F151 VanDerWaalsContact CE2-CA 3.47Å; F128-F151 HydrophobicContact CE2-CB 4.01Å; F128-F151 HydrophobicContact CE2-CD2 4.02Å; F128-F151 AromaticContact CG-CD2 3.67Å; F128-F151 HydrophobicContact CG-CD2 3.67Å; F128-F151 HydrophobicContact CG-CE2 4.2Å; F128-F151 HydrophobicContact CZ-CB 3.6Å; F128-F151 AromaticContact CZ-CD2 3.96Å; F128-F151 HydrophobicContact CZ-CD2 3.96Å; F128-F151 HydrophobicContact CZ-CG 4.28Å; F128-Y154 HydrophobicContact CB-CD1 3.92Å; F128-Y154 HydrophobicContact CB-CE1 3.85Å; F128-Y154 HydrophobicContact CB-CG 4.34Å; F128-Y154 AromaticContact CD2-CD1 3.75Å; F128-Y154 HydrophobicContact CD2-CD1 3.75Å; F128-Y154 HydrophobicContact CD2-CD2 4.23Å; F128-Y154 AromaticContact CD2-CG 3.58Å; F128-Y154 HydrophobicContact CD2-CG 3.58Å; F128-Y154 HydrophobicContact CE2-CG 4.39Å; F128-Y154 HydrophobicContact CG-CD1 4.13Å; F128-Y154 HydrophobicContact CG-CG 4.37Å
129C97.6Very high96.7Very high67 Ų6765.6 Ų65.645%0.45336%0.36SS..Hα-helixtrans-58.2-39.8177.5-700000111.9M125 Q132 K133M125-C129 PolarHBondContact O-N 3.46Å; M125-C129 PolarHBondContact O-SG 2.82Å; C129-Q132 PolarHBondContact O-N 3Å; C129-K133 WeakPolarHBondContact O-CB 3.27Å; C129-K133 PolarHBondContact O-N 2.74Å
130S97.4Very high96.5Very high81 Ų8165.8 Ų65.857%0.56636%0.356SS*.Hα-helixtrans-64.3-41.7176.2-60.70000112M126 E127 F128 A134M126-S130 PolarHBondContact O-N 3.02Å; M126-S130 VanDerWaalsContact O-N 3.11Å; M126-S130 PolarHBondContact O-OG 3.3Å; E127-S130 WeakPolarHBondContact O-CB 3.26Å; E127-S130 PolarHBondContact O-N 3.49Å; F128-S130 VanDerWaalsContact C-N 3.25Å; F128-S130 PolarHBondContact O-N 2.68Å; S130-A134 WeakPolarHBondContact O-CB 3.39Å; S130-A134 PolarHBondContact O-N 3.31Å; S130-A134 VanDerWaalsContact O-N 3.1Å
131I97.1Very high96.3Very high9 Ų970.7 Ų70.75%0.04636%0.36CS..Hα-helixtrans-66.2-46.5176.5-71172000111.1I75 M78 E127 F128 K133 A134 L135 Y154I75-I131 HydrophobicContact CD1-CB 3.86Å; I75-I131 HydrophobicContact CD1-CG1 3.7Å; I75-I131 HydrophobicContact CD1-CG2 3.73Å; M78-I131 HydrophobicContact CE-CG2 4.36Å; M78-I131 HydrophobicContact SD-CG2 3.43Å; M78-I131 WeakPolarHBondContact SD-CG2 3.4Å; E127-I131 HydrophobicContact CG-CD1 3.9Å; E127-I131 WeakPolarHBondContact O-CG1 3.42Å; E127-I131 PolarHBondContact O-N 3.04Å; F128-I131 PolarHBondContact O-N 3.4Å; F128-I131 VanDerWaalsContact O-N 3.09Å; I131-K133 VanDerWaalsContact C-N 3.35Å; I131-K133 PolarHBondContact O-N 3Å; I131-A134 PolarHBondContact O-N 3.16Å; I131-L135 HydrophobicContact CG2-CD1 3.78Å; I131-L135 HydrophobicContact CG2-CG 4.29Å; I131-L135 WeakPolarHBondContact O-CG 3.45Å; I131-L135 PolarHBondContact O-N 2.88Å; I131-Y154 HydrophobicContact CD1-CD2 3.79Å; I131-Y154 HydrophobicContact CD1-CE2 3.55Å
132Q97.5Very high96.1Very high45 Ų4579.3 Ų79.321%0.2139%0.39CS..Hα-helixtrans-56.1-48.7177.7179.1179.912.400111.2F128 C129 A134 L135 Q136 L150F128-Q132 WeakPolarHBondContact O-CB 3.2Å; F128-Q132 PolarHBondContact O-N 2.67Å; C129-Q132 PolarHBondContact O-N 3Å; Q132-A134 VanDerWaalsContact C-N 3.35Å; Q132-A134 PolarHBondContact O-N 3.32Å; Q132-L135 PolarHBondContact O-N 3.16Å; Q132-Q136 WeakPolarHBondContact O-CG 3.1Å; Q132-Q136 PolarHBondContact O-N 3.37Å; Q132-L150 HydrophobicContact CB-CD2 4.13Å; Q132-L150 HydrophobicContact CG-CD2 3.81Å
133K96.9Very high95.9Very high152 Ų15273 Ų7366%0.66136%0.361SS*.Hα-helixtrans-61.1-42.4177.2-174175.2-177.6176.10112C129 I131 Q136 V137C129-K133 WeakPolarHBondContact O-CB 3.27Å; C129-K133 PolarHBondContact O-N 2.74Å; I131-K133 VanDerWaalsContact C-N 3.35Å; I131-K133 PolarHBondContact O-N 3Å; K133-Q136 PolarHBondContact O-N 2.9Å; K133-V137 PolarHBondContact O-N 3.4Å
134A97.2Very high96Very high35 Ų3569.3 Ų69.329%0.28935%0.345SS..Hα-helixtrans-66-37.1177.700000112.5I75 S130 I131 Q132 V137 Y138I75-A134 HydrophobicContact CD1-CB 3.67Å; I75-A134 HydrophobicContact CG1-CB 3.84Å; I75-A134 HydrophobicContact CG2-CB 4.33Å; S130-A134 WeakPolarHBondContact O-CB 3.39Å; S130-A134 PolarHBondContact O-N 3.31Å; S130-A134 VanDerWaalsContact O-N 3.1Å; I131-A134 PolarHBondContact O-N 3.16Å; Q132-A134 VanDerWaalsContact C-N 3.35Å; Q132-A134 PolarHBondContact O-N 3.32Å; A134-V137 PolarHBondContact O-N 3.07Å; A134-Y138 VanDerWaalsContact O-CB 3.26Å; A134-Y138 WeakPolarHBondContact O-CB 3.24Å; A134-Y138 PolarHBondContact O-N 2.88Å
135L97.6Very high96.1Very high0 Ų069.6 Ų69.60%035%0.351CS..Hα-helixtrans-67.2-37.6174.7-71.9169000112.2I75 M78 L82 I131 Q132 V137 Y138 M139 L144 L150I75-L135 HydrophobicContact CG2-CD2 3.77Å; I75-L135 HydrophobicContact CG2-CG 4.23Å; M78-L135 HydrophobicContact CB-CD1 4.35Å; M78-L135 HydrophobicContact CB-CD2 4.44Å; M78-L135 HydrophobicContact CE-CD1 3.81Å; M78-L135 HydrophobicContact CG-CD1 3.8Å; M78-L135 HydrophobicContact SD-CD1 3.81Å; L82-L135 HydrophobicContact CD1-CD1 4.31Å; L82-L135 HydrophobicContact CD1-CD2 4.49Å; I131-L135 HydrophobicContact CG2-CD1 3.78Å; I131-L135 HydrophobicContact CG2-CG 4.29Å; I131-L135 WeakPolarHBondContact O-CG 3.45Å; I131-L135 PolarHBondContact O-N 2.88Å; Q132-L135 PolarHBondContact O-N 3.16Å; L135-V137 VanDerWaalsContact C-N 3.26Å; L135-V137 PolarHBondContact O-N 3.46Å; L135-Y138 PolarHBondContact O-N 3.41Å; L135-M139 HydrophobicContact CD2-CG 4.31Å; L135-M139 HydrophobicContact CD2-SD 3.69Å; L135-M139 WeakPolarHBondContact O-CB 3.33Å; L135-M139 PolarHBondContact O-N 3.04Å; L135-L144 HydrophobicContact CB-CD2 3.99Å; L135-L150 HydrophobicContact CD1-CD1 4.19Å
136Q96Very high96Very high112 Ų11274 Ų7452%0.52337%0.372SS..Hα-helixtrans-61.7-32.1174.5-73.4170.4-17.500113.3Q132 K133 L144Q132-Q136 WeakPolarHBondContact O-CG 3.1Å; Q132-Q136 PolarHBondContact O-N 3.37Å; K133-Q136 PolarHBondContact O-N 2.9Å; Q136-L144 HydrophobicContact CB-CD1 4.37Å; Q136-L144 HydrophobicContact CG-CD1 3.84Å
137V95.8Very high95.9Very high126 Ų12670.4 Ų70.476%0.76436%0.361SS*.Hα-helixtrans-79.6-39.8174.2176.10000111.2K133 A134 L135K133-V137 PolarHBondContact O-N 3.4Å; A134-V137 PolarHBondContact O-N 3.07Å; L135-V137 VanDerWaalsContact C-N 3.26Å; L135-V137 PolarHBondContact O-N 3.46Å
138Y97Very high95.9Very high16 Ų1672.3 Ų72.36%0.06338%0.38CS..Hα-helixtrans-83.5-31.1-171.8-178.5-125.4000114.3E60 L63 L64 A67 P71 I75 R76 A134 L135E60-Y138 WeakPolarHBondContact CG-OH 3.17Å; L63-Y138 HydrophobicContact CB-CD2 4.28Å; L63-Y138 HydrophobicContact CB-CE1 4.21Å; L63-Y138 HydrophobicContact CB-CE2 3.63Å; L63-Y138 HydrophobicContact CD1-CE1 4.05Å; L64-Y138 HydrophobicContact CD2-CE2 4.34Å; L64-Y138 WeakPolarHBondContact CD2-OH 3.43Å; L64-Y138 WeakPolarHBondContact CG-OH 3.25Å; A67-Y138 HydrophobicContact CB-CD2 4.06Å; A67-Y138 HydrophobicContact CB-CE2 4.07Å; P71-Y138 HydrophobicContact CG-CD1 3.94Å; P71-Y138 HydrophobicContact CG-CD2 3.38Å; P71-Y138 HydrophobicContact CG-CE1 4.18Å; P71-Y138 HydrophobicContact CG-CE2 3.67Å; P71-Y138 HydrophobicContact CG-CG 3.53Å; I75-Y138 HydrophobicContact CG2-CD1 4.11Å; R76-Y138 HydrophobicContact CG-CE1 4.45Å; A134-Y138 VanDerWaalsContact O-CB 3.26Å; A134-Y138 WeakPolarHBondContact O-CB 3.24Å; A134-Y138 PolarHBondContact O-N 2.88Å; L135-Y138 PolarHBondContact O-N 3.41Å
139M96.4Very high95.8Very high8 Ų874.7 Ų74.74%0.03939%0.391CS..SBendtrans-115.6152.1-174.8-56.2-173.776.100111.4L63 S79 L82 I83 L135 M143 L144L63-M139 HydrophobicContact CD1-CE 4.36Å; L63-M139 HydrophobicContact CD1-CG 4.11Å; S79-M139 VanDerWaalsContact CB-SD 3.53Å; L82-M139 HydrophobicContact CB-CE 4.16Å; L82-M139 HydrophobicContact CD1-CE 4.28Å; L82-M139 HydrophobicContact CD1-SD 3.76Å; I83-M139 HydrophobicContact CD1-CE 4.48Å; I83-M139 HydrophobicContact CG1-CE 4.21Å; L135-M139 HydrophobicContact CD2-CG 4.31Å; L135-M139 HydrophobicContact CD2-SD 3.69Å; L135-M139 WeakPolarHBondContact O-CB 3.33Å; L135-M139 PolarHBondContact O-N 3.04Å; M139-M143 HydrophobicContact CE-CB 3.88Å; M139-M143 HydrophobicContact CE-CE 3.52Å; M139-M143 HydrophobicContact CE-SD 4.14Å; M139-L144 HydrophobicContact CB-CD2 4.13Å; M139-L144 HydrophobicContact CB-CG 4.46Å; M139-L144 HydrophobicContact SD-CD2 4.03Å
140T92.7Very high95.8Very high61 Ų6171.7 Ų71.737%0.37437%0.37SS..  trans-70.6144.9173.860.70000111R142 M143T140-R142 PolarHBondContact O-N 3.27Å; T140-R142 VanDerWaalsContact O-N 3.08Å; T140-R142 WeakPolarHBondContact OG1-CG 3.23Å; T140-R142 PolarHBondContact OG1-NE 3.23Å; T140-M143 WeakPolarHBondContact O-CB 3.42Å; T140-M143 PolarHBondContact O-N 3.09Å; T140-M143 WeakPolarHBondContact OG1-CG 3.5Å; T140-M143 PolarHBondContact OG1-SD 2.75Å
141K91.8Very high95.8Very high190 Ų19069.2 Ų69.283%0.82635%0.349SS*.G310 helixtrans-47.9-41.2-178.8-173.3177.4179.5-179.30114.1M143 L144K141-M143 PolarHBondContact O-N 3.45Å; K141-M143 VanDerWaalsContact O-N 3.11Å; K141-L144 PolarHBondContact O-N 2.75Å
142R92.2Very high95.9Very high217 Ų21772.3 Ų72.382%0.81936%0.362SS*.G310 helixtrans-60-19.5177.365.7176177.6-174.6-1114.9T140T140-R142 PolarHBondContact O-N 3.27Å; T140-R142 VanDerWaalsContact O-N 3.08Å; T140-R142 WeakPolarHBondContact OG1-CG 3.23Å; T140-R142 PolarHBondContact OG1-NE 3.23Å
143M93.1Very high95.9Very high25 Ų2570.4 Ų70.412%0.12335%0.353CS..G310 helixtrans-93.2-3.8179.8-62.1176.377.800112.5L63 I83 Q86 M139 T140 K141L63-M143 HydrophobicContact CD2-SD 4.41Å; I83-M143 HydrophobicContact CD1-CE 3.97Å; I83-M143 HydrophobicContact CG1-CE 3.38Å; Q86-M143 PolarHBondContact NE2-O 2.91Å; M139-M143 HydrophobicContact CE-CB 3.88Å; M139-M143 HydrophobicContact CE-CE 3.52Å; M139-M143 HydrophobicContact CE-SD 4.14Å; T140-M143 WeakPolarHBondContact O-CB 3.42Å; T140-M143 PolarHBondContact O-N 3.09Å; T140-M143 WeakPolarHBondContact OG1-CG 3.5Å; T140-M143 PolarHBondContact OG1-SD 2.75Å; K141-M143 PolarHBondContact O-N 3.45Å; K141-M143 VanDerWaalsContact O-N 3.11Å
144L96.6Very high95.9Very high36 Ų3663.2 Ų63.219%0.18832%0.322CS..  trans-104126.1-178.7-61.4176.7000108.8L82 L135 Q136 M139 K141L82-L144 HydrophobicContact CD1-CD2 3.98Å; L135-L144 HydrophobicContact CB-CD2 3.99Å; Q136-L144 HydrophobicContact CB-CD1 4.37Å; Q136-L144 HydrophobicContact CG-CD1 3.84Å; M139-L144 HydrophobicContact CB-CD2 4.13Å; M139-L144 HydrophobicContact CB-CG 4.46Å; M139-L144 HydrophobicContact SD-CD2 4.03Å; K141-L144 PolarHBondContact O-N 2.75Å
145P96.5Very high96Very high43 Ų4361.5 Ų61.528%0.27931%0.308SS..  trans-71.5173.9169.632.8-35.7000110.4L82 E149 L150 I153L82-P145 HydrophobicContact CD2-CG 3.9Å; P145-E149 HydrophobicContact CB-CB 4.12Å; P145-E149 HydrophobicContact CB-CG 4.12Å; P145-L150 HydrophobicContact CG-CB 4.1Å; P145-L150 HydrophobicContact CG-CD1 4.09Å; P145-I153 HydrophobicContact CG-CD1 4.18Å
146E95.9Very high96Very high154 Ų15463.2 Ų63.272%0.7232%0.315SS*.  trans-57.5153.6171.3-67-56.2140.500111.7S148 E149 L150E146-S148 VanDerWaalsContact C-N 3.26Å; E146-S148 PolarHBondContact O-N 3.01Å; E146-E149 PolarHBondContact O-N 2.79Å; E146-E149 VanDerWaalsContact O-N 3.08Å; E146-L150 PolarHBondContact O-N 2.91Å
147A94.3Very high96Very high47 Ų4758.2 Ų58.239%0.38829%0.291SS..Hα-helixtrans-57.6-36.8-171.800000113.5F151A147-F151 WeakPolarHBondContact O-CB 3.46Å; A147-F151 PolarHBondContact O-N 3.13Å
148S95.6Very high96.1Very high85 Ų8552.6 Ų52.659%0.59426%0.258SS*.Hα-helixtrans-65.3-43.6177.655.10000112.2E146 F151 K152E146-S148 VanDerWaalsContact C-N 3.26Å; E146-S148 PolarHBondContact O-N 3.01Å; S148-F151 WeakPolarHBondContact O-CB 3.34Å; S148-F151 PolarHBondContact O-N 3.28Å; S148-K152 WeakPolarHBondContact O-CG 3.21Å; S148-K152 PolarHBondContact O-N 3.38Å
149E96.7Very high95.9Very high60 Ų6054 Ų5428%0.2826%0.264SS..Hα-helixtrans-71.6-38.9177.9-17556.5-15100111.5P145 E146 F151 K152 I153P145-E149 HydrophobicContact CB-CB 4.12Å; P145-E149 HydrophobicContact CB-CG 4.12Å; E146-E149 PolarHBondContact O-N 2.79Å; E146-E149 VanDerWaalsContact O-N 3.08Å; E149-F151 PolarHBondContact O-N 3.13Å; E149-K152 PolarHBondContact O-N 3.08Å; E149-K152 VanDerWaalsContact O-N 3.14Å; E149-K152 IonicContact OE2-NZ 2.84Å; E149-I153 HydrophobicContact CG-CD1 4.33Å; E149-I153 WeakPolarHBondContact O-CG1 3.28Å; E149-I153 PolarHBondContact O-N 3.11Å
150L97.7Very high96Very high4 Ų454.3 Ų54.32%0.02127%0.265CS..Hα-helixtrans-57.7-38.7173-170.566.1000111.7M78 L82 F128 Q132 L135 P145 E146 I153 Y154M78-L150 HydrophobicContact CE-CD1 3.28Å; M78-L150 HydrophobicContact CE-CG 3.66Å; L82-L150 HydrophobicContact CD1-CD1 4.03Å; L82-L150 HydrophobicContact CD2-CD1 4.03Å; F128-L150 HydrophobicContact CE2-CB 4.49Å; F128-L150 HydrophobicContact CE2-CD2 4.38Å; F128-L150 HydrophobicContact CE2-CG 4.1Å; F128-L150 HydrophobicContact CZ-CB 4.41Å; F128-L150 HydrophobicContact CZ-CD2 4.44Å; F128-L150 HydrophobicContact CZ-CG 4.38Å; Q132-L150 HydrophobicContact CB-CD2 4.13Å; Q132-L150 HydrophobicContact CG-CD2 3.81Å; L135-L150 HydrophobicContact CD1-CD1 4.19Å; P145-L150 HydrophobicContact CG-CB 4.1Å; P145-L150 HydrophobicContact CG-CD1 4.09Å; E146-L150 PolarHBondContact O-N 2.91Å; L150-I153 PolarHBondContact O-N 2.98Å; L150-Y154 PolarHBondContact O-N 2.64Å
151F98Very high96.2Very high28 Ų2852.5 Ų52.512%0.12325%0.254CS..Hα-helixtrans-63.3-45.6175.8-176.6-114.2000111.8M118 A119 M125 F128 A147 S148 E149 I153 Y154 C155M118-F151 HydrophobicContact CB-CZ 4.12Å; A119-F151 HydrophobicContact CB-CE1 4.1Å; A119-F151 HydrophobicContact CB-CZ 4.12Å; M125-F151 HydrophobicContact CE-CE2 4.26Å; M125-F151 HydrophobicContact SD-CD2 4.29Å; M125-F151 HydrophobicContact SD-CE2 3.37Å; M125-F151 WeakPolarHBondContact SD-CE2 3.43Å; M125-F151 HydrophobicContact SD-CZ 3.6Å; M125-F151 VanDerWaalsContact SD-CZ 3.6Å; F128-F151 HydrophobicContact CB-CD2 4.38Å; F128-F151 HydrophobicContact CB-CE2 4.45Å; F128-F151 AromaticContact CD1-CD2 3.61Å; F128-F151 HydrophobicContact CD1-CD2 3.61Å; F128-F151 HydrophobicContact CD1-CE2 4.24Å; F128-F151 AromaticContact CD2-CD2 3.88Å; F128-F151 HydrophobicContact CD2-CD2 3.88Å; F128-F151 HydrophobicContact CE1-CB 3.99Å; F128-F151 AromaticContact CE1-CD2 3.76Å; F128-F151 HydrophobicContact CE1-CD2 3.76Å; F128-F151 HydrophobicContact CE1-CG 4.29Å; F128-F151 VanDerWaalsContact CE2-CA 3.47Å; F128-F151 HydrophobicContact CE2-CB 4.01Å; F128-F151 HydrophobicContact CE2-CD2 4.02Å; F128-F151 AromaticContact CG-CD2 3.67Å; F128-F151 HydrophobicContact CG-CD2 3.67Å; F128-F151 HydrophobicContact CG-CE2 4.2Å; F128-F151 HydrophobicContact CZ-CB 3.6Å; F128-F151 AromaticContact CZ-CD2 3.96Å; F128-F151 HydrophobicContact CZ-CD2 3.96Å; F128-F151 HydrophobicContact CZ-CG 4.28Å; A147-F151 WeakPolarHBondContact O-CB 3.46Å; A147-F151 PolarHBondContact O-N 3.13Å; S148-F151 WeakPolarHBondContact O-CB 3.34Å; S148-F151 PolarHBondContact O-N 3.28Å; E149-F151 PolarHBondContact O-N 3.13Å; F151-I153 VanDerWaalsContact C-N 3.29Å; F151-I153 PolarHBondContact O-N 3.08Å; F151-Y154 HydrophobicContact CD2-CD1 4.19Å; F151-Y154 HydrophobicContact CE2-CD1 4.18Å; F151-Y154 WeakPolarHBondContact O-CB 3.41Å; F151-Y154 PolarHBondContact O-N 2.73Å; F151-Y154 VanDerWaalsContact O-N 3.12Å; F151-C155 VanDerWaalsContact CZ-SG 3.52Å; F151-C155 PolarHBondContact O-N 2.73Å; F151-C155 PolarHBondContact O-SG 2.89Å
152K97.7Very high96.4Very high75 Ų7545 Ų4533%0.32622%0.222SC..Hα-helixtrans-60.2-38.9176.5-59.6-171.5-173.2160.80112.9E115 S148 E149 C155 R156E115-K152 HydrophobicContact CG-CG 4.32Å; E115-K152 WeakPolarHBondContact OE2-CG 3.11Å; S148-K152 WeakPolarHBondContact O-CG 3.21Å; S148-K152 PolarHBondContact O-N 3.38Å; E149-K152 PolarHBondContact O-N 3.08Å; E149-K152 VanDerWaalsContact O-N 3.14Å; E149-K152 IonicContact OE2-NZ 2.84Å; K152-C155 PolarHBondContact O-N 3Å; K152-R156 PolarHBondContact O-N 3.07Å; K152-R156 VanDerWaalsContact O-N 3.13Å
153I97.9Very high96.5Very high4 Ų439.1 Ų39.12%0.02121%0.206CC..Hα-helixtrans-65.9-45.4175-66167.4000110.2M78 I81 L82 L85 Y108 P145 E149 L150 F151 C155 R156 M157M78-I153 HydrophobicContact CE-CG2 4.4Å; I81-I153 HydrophobicContact CG2-CG2 3.73Å; L82-I153 HydrophobicContact CD2-CD1 3.75Å; L85-I153 HydrophobicContact CD1-CD1 3.68Å; L85-I153 HydrophobicContact CD1-CG1 3.99Å; Y108-I153 HydrophobicContact CE1-CG2 4.37Å; Y108-I153 PolarHBondContact OH-O 3.34Å; P145-I153 HydrophobicContact CG-CD1 4.18Å; E149-I153 HydrophobicContact CG-CD1 4.33Å; E149-I153 WeakPolarHBondContact O-CG1 3.28Å; E149-I153 PolarHBondContact O-N 3.11Å; L150-I153 PolarHBondContact O-N 2.98Å; F151-I153 VanDerWaalsContact C-N 3.29Å; F151-I153 PolarHBondContact O-N 3.08Å; I153-C155 VanDerWaalsContact C-N 3.32Å; I153-C155 PolarHBondContact O-N 3.07Å; I153-R156 PolarHBondContact O-N 3.28Å; I153-M157 PolarHBondContact O-N 2.95Å
154Y98Very high96.7Very high1 Ų138 Ų380%0.00420%0.201CC..Hα-helixtrans-56.5-46.9173.6164.7-100.6000111.3M118 E127 F128 I131 L150 F151 R156 M157 A158M118-Y154 HydrophobicContact SD-CE1 4.3Å; E127-Y154 HydrophobicContact CG-CE2 4.28Å; E127-Y154 PolarHBondContact OE2-OH 2.98Å; F128-Y154 HydrophobicContact CB-CD1 3.92Å; F128-Y154 HydrophobicContact CB-CE1 3.85Å; F128-Y154 HydrophobicContact CB-CG 4.34Å; F128-Y154 AromaticContact CD2-CD1 3.75Å; F128-Y154 HydrophobicContact CD2-CD1 3.75Å; F128-Y154 HydrophobicContact CD2-CD2 4.23Å; F128-Y154 AromaticContact CD2-CG 3.58Å; F128-Y154 HydrophobicContact CD2-CG 3.58Å; F128-Y154 HydrophobicContact CE2-CG 4.39Å; F128-Y154 HydrophobicContact CG-CD1 4.13Å; F128-Y154 HydrophobicContact CG-CG 4.37Å; I131-Y154 HydrophobicContact CD1-CD2 3.79Å; I131-Y154 HydrophobicContact CD1-CE2 3.55Å; L150-Y154 PolarHBondContact O-N 2.64Å; F151-Y154 HydrophobicContact CD2-CD1 4.19Å; F151-Y154 HydrophobicContact CE2-CD1 4.18Å; F151-Y154 WeakPolarHBondContact O-CB 3.41Å; F151-Y154 PolarHBondContact O-N 2.73Å; F151-Y154 VanDerWaalsContact O-N 3.12Å; Y154-R156 PolarHBondContact O-N 2.93Å; Y154-M157 HydrophobicContact CD2-CE 4.01Å; Y154-M157 HydrophobicContact CE2-CE 4.49Å; Y154-M157 PolarHBondContact O-N 3.49Å; Y154-A158 HydrophobicContact CD2-CB 4.44Å; Y154-A158 HydrophobicContact CE1-CB 4.33Å; Y154-A158 HydrophobicContact CE2-CB 3.99Å; Y154-A158 VanDerWaalsContact O-CB 3.3Å; Y154-A158 WeakPolarHBondContact O-CB 3.45Å; Y154-A158 PolarHBondContact O-N 2.91Å
155C97.9Very high96.4Very high0 Ų037.1 Ų37.10%020%0.197CC..Hα-helixtrans-58.8-48.8-178.7-69.90000112.3S113 E115 M118 F151 K152 I153 M157 A158 R159S113-C155 WeakPolarHBondContact O-CB 3.25Å; E115-C155 HydrophobicContact CG-CB 4.06Å; M118-C155 VanDerWaalsContact SD-CA 3.52Å; M118-C155 HydrophobicContact SD-CB 3.72Å; F151-C155 VanDerWaalsContact CZ-SG 3.52Å; F151-C155 PolarHBondContact O-N 2.73Å; F151-C155 PolarHBondContact O-SG 2.89Å; K152-C155 PolarHBondContact O-N 3Å; I153-C155 VanDerWaalsContact C-N 3.32Å; I153-C155 PolarHBondContact O-N 3.07Å; C155-M157 PolarHBondContact O-N 3Å; C155-A158 PolarHBondContact O-N 2.74Å; C155-R159 WeakPolarHBondContact O-CB 3.41Å; C155-R159 PolarHBondContact O-N 3.45Å; C155-R159 VanDerWaalsContact O-N 3.15Å
156R97.7Very high96Very high35 Ų3535.6 Ų35.613%0.13219%0.187CC..Hα-helixtrans-59.2-45.1174.3-71.9-174.9178.883-2.2112.1Y108 H109 L111 E115 K152 I153 Y154 N160Y108-R156 HydrophobicContact CE1-CB 4.19Å; Y108-R156 WeakPolarHBondContact OH-CB 3.19Å; H109-R156 PolarHBondContact O-NE 3.33Å; L111-R156 HydrophobicContact CB-CB 4.19Å; L111-R156 HydrophobicContact CB-CG 4.2Å; L111-R156 WeakPolarHBondContact O-CG 3.48Å; L111-R156 PolarHBondContact O-NE 2.82Å; E115-R156 IonicContact OE1-NH1 3.96Å; K152-R156 PolarHBondContact O-N 3.07Å; K152-R156 VanDerWaalsContact O-N 3.13Å; I153-R156 PolarHBondContact O-N 3.28Å; Y154-R156 PolarHBondContact O-N 2.93Å; R156-N160 WeakPolarHBondContact O-CB 3.31Å; R156-N160 PolarHBondContact O-N 3.17Å; R156-N160 PolarHBondContact O-ND2 3.41Å
157M97.6Very high95.3Very high7 Ų730.2 Ų30.23%0.03417%0.167CC..Hα-helixtrans-62.6-52.1177179.6-168.170.100111.7L77 M78 I81 I153 Y154 C155 R159 N160 V161 I176L77-M157 HydrophobicContact CB-SD 4.47Å; L77-M157 HydrophobicContact CD2-CG 4.05Å; L77-M157 HydrophobicContact CD2-SD 4.02Å; L77-M157 HydrophobicContact CG-SD 4.1Å; M78-M157 HydrophobicContact CB-CE 4.38Å; M78-M157 HydrophobicContact CB-SD 3.86Å; M78-M157 HydrophobicContact CG-SD 4.36Å; M78-M157 HydrophobicContact SD-CE 4Å; M78-M157 HydrophobicContact SD-SD 4.47Å; I81-M157 HydrophobicContact CD1-CB 3.91Å; I81-M157 HydrophobicContact CD1-CG 3.81Å; I81-M157 HydrophobicContact CD1-SD 3.98Å; I153-M157 PolarHBondContact O-N 2.95Å; Y154-M157 HydrophobicContact CD2-CE 4.01Å; Y154-M157 HydrophobicContact CE2-CE 4.49Å; Y154-M157 PolarHBondContact O-N 3.49Å; C155-M157 PolarHBondContact O-N 3Å; M157-R159 VanDerWaalsContact C-N 3.26Å; M157-R159 PolarHBondContact O-N 3.4Å; M157-N160 PolarHBondContact O-N 3.5Å; M157-V161 VanDerWaalsContact O-CB 3.25Å; M157-V161 WeakPolarHBondContact O-CB 3.05Å; M157-V161 PolarHBondContact O-N 3.23Å; M157-I176 HydrophobicContact CB-CD1 4.26Å; M157-I176 HydrophobicContact CG-CD1 4.15Å
158A96Very high94.3Very high8 Ų830.7 Ų30.77%0.06617%0.165CC..Hα-helixtrans-62.3-34.5-172.100000112.4M118 Y154 C155M118-A158 HydrophobicContact CE-CB 3.99Å; M118-A158 HydrophobicContact SD-CB 4.39Å; Y154-A158 HydrophobicContact CD2-CB 4.44Å; Y154-A158 HydrophobicContact CE1-CB 4.33Å; Y154-A158 HydrophobicContact CE2-CB 3.99Å; Y154-A158 VanDerWaalsContact O-CB 3.3Å; Y154-A158 WeakPolarHBondContact O-CB 3.45Å; Y154-A158 PolarHBondContact O-N 2.91Å; C155-A158 PolarHBondContact O-N 2.74Å
159R94.7Very high93.6Very high47 Ų4731.1 Ų31.118%0.17716%0.159CC..Hα-helixtrans-77.1-38.5177.3-169.5173-173-164.5-11.1113.3E112 C114 M118 C155 M157 Y241E112-R159 WeakPolarHBondContact O-CD 3.42Å; E112-R159 IonicContact OE2-CZ 2.65Å; E112-R159 IonicContact OE2-NH1 2.66Å; E112-R159 PolarHBondContact OE2-NH1 3.31Å; E112-R159 IonicContact OE2-NH2 3.92Å; E112-R159 PolarHBondContact OE2-NH2 3.11Å; C114-R159 PolarHBondContact SG-NH1 3.04Å; M118-R159 HydrophobicContact CE-CB 3.96Å; C155-R159 WeakPolarHBondContact O-CB 3.41Å; C155-R159 PolarHBondContact O-N 3.45Å; C155-R159 VanDerWaalsContact O-N 3.15Å; M157-R159 VanDerWaalsContact C-N 3.26Å; M157-R159 PolarHBondContact O-N 3.4Å; R159-Y241 HydrophobicContact CG-CD1 4.38Å; R159-Y241 WeakPolarHBondContact O-CE1 3.46Å
160N96.7Very high92.9Very high14 Ų1432.1 Ų32.18%0.07517%0.165CC..Hα-helixtrans-105.89-169.2-59.5-80.7000114L111 E112 R156 M157 F162L111-N160 HydrophobicContact CD1-CB 4.34Å; L111-N160 HydrophobicContact CD2-CB 4.08Å; E112-N160 PolarHBondContact O-ND2 3.04Å; R156-N160 WeakPolarHBondContact O-CB 3.31Å; R156-N160 PolarHBondContact O-N 3.17Å; R156-N160 PolarHBondContact O-ND2 3.41Å; M157-N160 PolarHBondContact O-N 3.5Å; N160-F162 WeakPolarHBondContact O-CD2 3.48Å; N160-F162 WeakPolarHBondContact O-CE2 3.38Å; N160-F162 PolarHBondContact O-N 3.16Å
161V97.2Very high92.4Very high23 Ų2335.6 Ų35.614%0.13919%0.188CC..PPolyproline II helixtrans-75.8124.2177.865.50000111.7L77 M157 I174 R240L77-V161 HydrophobicContact CD2-CG2 3.93Å; M157-V161 VanDerWaalsContact O-CB 3.25Å; M157-V161 WeakPolarHBondContact O-CB 3.05Å; M157-V161 PolarHBondContact O-N 3.23Å; V161-I174 HydrophobicContact CG2-CB 3.68Å; V161-I174 HydrophobicContact CG2-CD1 4.12Å; V161-I174 HydrophobicContact CG2-CG1 4.35Å; V161-I174 HydrophobicContact CG2-CG2 4.16Å; V161-R240 PolarHBondContact O-NH2 3.02Å
162F96.5Very high92.2Very high33 Ų3334.3 Ų34.315%0.14518%0.183CC..EExtended strand (participates in β ladder)trans-93.2142.4173.1-70.1-101.5000110.5N160 I174 G175 Y177 L180 I193 Y195 I221N160-F162 WeakPolarHBondContact O-CD2 3.48Å; N160-F162 WeakPolarHBondContact O-CE2 3.38Å; N160-F162 PolarHBondContact O-N 3.16Å; F162-I174 CarbonylContact O-C 3.58Å; F162-I174 WeakPolarHBondContact O-CA 3.48Å; F162-G175 PolarHBondContact N-O 3.25Å; F162-G175 PolarHBondContact O-N 3.1Å; F162-Y177 HydrophobicContact CB-CD2 4.03Å; F162-Y177 HydrophobicContact CB-CE2 4.01Å; F162-Y177 AromaticContact CD2-CD2 3.78Å; F162-Y177 HydrophobicContact CD2-CD2 3.78Å; F162-Y177 HydrophobicContact CE2-CD2 4.48Å; F162-Y177 AromaticContact CG-CD2 3.92Å; F162-Y177 HydrophobicContact CG-CD2 3.92Å; F162-Y177 HydrophobicContact CG-CE2 4.36Å; F162-L180 HydrophobicContact CE1-CB 4.49Å; F162-L180 HydrophobicContact CZ-CB 4.07Å; F162-I193 HydrophobicContact CD1-CD1 4.18Å; F162-I193 HydrophobicContact CE1-CD1 3.63Å; F162-Y195 WeakPolarHBondContact CD1-OH 3.33Å; F162-I221 HydrophobicContact CE1-CD1 4.29Å
163N95Very high92.2Very high93 Ų9330.8 Ų30.850%0.49717%0.167SC..EExtended strand (participates in β ladder)trans-83.7126.6165-70.1-52.6000108.5P165N163-P165 WeakPolarHBondContact O-CD 3.34Å
164I95.7Very high92.2Very high0 Ų031.1 Ų31.10%017%0.169CC..EExtended strand (participates in β ladder)trans-101.5111178.5-55.2171.1000107.7F27 V172 G173 Y177 Y195 G197F27-I164 HydrophobicContact CD2-CB 4.06Å; F27-I164 HydrophobicContact CD2-CD1 4.44Å; F27-I164 HydrophobicContact CD2-CG2 3.7Å; F27-I164 HydrophobicContact CE2-CB 3.96Å; F27-I164 HydrophobicContact CE2-CD1 3.88Å; F27-I164 HydrophobicContact CE2-CG1 4.5Å; F27-I164 HydrophobicContact CE2-CG2 4.08Å; I164-V172 VanDerWaalsContact O-CG2 3.26Å; I164-V172 WeakPolarHBondContact O-CG2 3.31Å; I164-V172 PolarHBondContact O-N 3.47Å; I164-G173 PolarHBondContact N-O 3.04Å; I164-G173 PolarHBondContact O-N 3.3Å; I164-G173 VanDerWaalsContact O-N 3.16Å; I164-Y177 HydrophobicContact CD1-CE2 4.13Å; I164-Y177 WeakPolarHBondContact CD1-OH 3.28Å; I164-Y177 HydrophobicContact CG1-CE2 4.2Å; I164-Y177 WeakPolarHBondContact CG1-OH 3.48Å; I164-Y195 HydrophobicContact CG1-CE1 4.17Å; I164-Y195 HydrophobicContact CG2-CD1 3.92Å; I164-Y195 HydrophobicContact CG2-CE1 4.39Å; I164-Y195 HydrophobicContact CG2-CG 4.32Å; I164-G197 WeakPolarHBondContact CG2-O 3.17Å
165P91.6Very high92.2Very high19 Ų1931 Ų3112%0.12317%0.169CC..EExtended strand (participates in β ladder)trans-82.6163.717633.9-33.4000112.4N163 M169 I170 Y195N163-P165 WeakPolarHBondContact O-CD 3.34Å; P165-M169 HydrophobicContact CB-SD 4.32Å; P165-M169 HydrophobicContact CG-SD 4.08Å; P165-I170 CarbonylContact C-O 3.4Å; P165-I170 WeakPolarHBondContact CA-O 3.49Å; P165-Y195 HydrophobicContact CG-CD2 3.7Å; P165-Y195 HydrophobicContact CG-CE2 4.34Å; P165-Y195 HydrophobicContact CG-CG 4.3Å
166S87.9Confident92.2Very high10 Ų1031 Ų317%0.0717%0.169CC..  trans-70.1172.5161.668.70000110.9T168 M169 I170S166-T168 PolarHBondContact O-N 3.44Å; S166-T168 PolarHBondContact OG-N 2.89Å; S166-T168 PolarHBondContact OG-OG1 2.98Å; S166-M169 PolarHBondContact O-N 3.23Å; S166-I170 PolarHBondContact N-O 2.93Å; S166-I170 PolarHBondContact OG-N 3.32Å
167S80.5Confident92.2Very high41 Ų4129.4 Ų29.429%0.28716%0.162SC..THydrogen-bonded Turntrans-58-9.4168.957.30000114.9T433S167-T433 PolarHBondContact O-OG1 2.97Å
168T74.5Confident92.1Very high58 Ų5829 Ų2936%0.35616%0.161SC..THydrogen-bonded Turntrans-111.322.217563.50000112.2S166 I170 M436S166-T168 PolarHBondContact O-N 3.44Å; S166-T168 PolarHBondContact OG-N 2.89Å; S166-T168 PolarHBondContact OG-OG1 2.98Å; T168-I170 PolarHBondContact O-N 3.26Å; T168-I170 VanDerWaalsContact O-N 3.16Å; T168-M436 HydrophobicContact CG2-CE 4.36Å
169M80.1Confident92.1Very high93 Ų9328.7 Ų28.746%0.45816%0.158SC..SBendtrans61.618.7178-63.2-66.6-83.200115.9P165 S166 L394P165-M169 HydrophobicContact CB-SD 4.32Å; P165-M169 HydrophobicContact CG-SD 4.08Å; S166-M169 PolarHBondContact O-N 3.23Å; M169-L394 HydrophobicContact CB-CD1 3.78Å; M169-L394 HydrophobicContact CG-CD1 3.21Å
170I82Confident92.1Very high82 Ų8226.5 Ų26.542%0.42115%0.15SC..  trans-83.5125.7174.6-61.6172.1000107.9P165 S166 T168 V172P165-I170 CarbonylContact C-O 3.4Å; P165-I170 WeakPolarHBondContact CA-O 3.49Å; S166-I170 PolarHBondContact N-O 2.93Å; S166-I170 PolarHBondContact OG-N 3.32Å; T168-I170 PolarHBondContact O-N 3.26Å; T168-I170 VanDerWaalsContact O-N 3.16Å; I170-V172 WeakPolarHBondContact O-CG1 3.23Å; I170-V172 PolarHBondContact O-N 3.09Å
171P87.7Confident92.1Very high77 Ų7726.3 Ų26.350%0.515%0.15SC..EExtended strand (participates in β ladder)trans-60.6112175.3-22.733.6000111.2N15N15-P171 PolarHBondContact ND2-O 3.42Å
172V94.4Very high92Very high1 Ų126 Ų261%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-109.1-19.8-177.5-68.30000113.2L14 N15 A18 Y22 F27 I164 I170L14-V172 HydrophobicContact CD1-CB 4.16Å; L14-V172 WeakPolarHBondContact CD1-O 3.42Å; N15-V172 VanDerWaalsContact CB-O 3.29Å; N15-V172 WeakPolarHBondContact CB-O 3.39Å; N15-V172 PolarHBondContact N-O 3.26Å; A18-V172 HydrophobicContact CB-CB 4.12Å; A18-V172 HydrophobicContact CB-CG1 4.33Å; A18-V172 WeakPolarHBondContact CB-O 3.5Å; Y22-V172 HydrophobicContact CD1-CG1 4.25Å; Y22-V172 HydrophobicContact CD2-CG1 3.98Å; Y22-V172 HydrophobicContact CE1-CG1 3.94Å; Y22-V172 HydrophobicContact CE2-CG1 3.68Å; Y22-V172 HydrophobicContact CG-CG1 4.25Å; F27-V172 HydrophobicContact CB-CG2 4.24Å; F27-V172 HydrophobicContact CD2-CG2 3.74Å; F27-V172 HydrophobicContact CE2-CG2 4.49Å; F27-V172 HydrophobicContact CG-CG2 4.29Å; I164-V172 VanDerWaalsContact O-CG2 3.26Å; I164-V172 WeakPolarHBondContact O-CG2 3.31Å; I164-V172 PolarHBondContact O-N 3.47Å; I170-V172 WeakPolarHBondContact O-CG1 3.23Å; I170-V172 PolarHBondContact O-N 3.09Å
173G97Very high92Very high0 Ų024.5 Ų24.50%014%0.14CC..EExtended strand (participates in β ladder)trans-170.1-169175.900000112.8A13 N15 I164A13-G173 VanDerWaalsContact O-CA 3.28Å; A13-G173 WeakPolarHBondContact O-CA 3.3Å; N15-G173 WeakPolarHBondContact OD1-CA 3.47Å; I164-G173 PolarHBondContact N-O 3.04Å; I164-G173 PolarHBondContact O-N 3.3Å; I164-G173 VanDerWaalsContact O-N 3.16Å
174I98Very high92Very high11 Ų1125 Ų256%0.05614%0.137CC..EExtended strand (participates in β ladder)trans-134.4155.5179.755.6172.3000110.9Y12 A13 E73 K74 L77 V161 F162Y12-I174 CarbonylContact C-O 3.55Å; Y12-I174 WeakPolarHBondContact CA-O 3.23Å; Y12-I174 WeakPolarHBondContact CB-O 3.25Å; A13-I174 HydrophobicContact CB-CG1 4.48Å; A13-I174 PolarHBondContact N-O 2.89Å; A13-I174 PolarHBondContact O-N 2.98Å; E73-I174 HydrophobicContact CB-CD1 4.12Å; E73-I174 HydrophobicContact CB-CG1 4.15Å; E73-I174 HydrophobicContact CG-CD1 3.76Å; E73-I174 HydrophobicContact CG-CG1 4.03Å; K74-I174 HydrophobicContact CG-CD1 4.04Å; L77-I174 HydrophobicContact CB-CD1 4.15Å; L77-I174 HydrophobicContact CD2-CD1 3.67Å; L77-I174 HydrophobicContact CD2-CG1 3.99Å; V161-I174 HydrophobicContact CG2-CB 3.68Å; V161-I174 HydrophobicContact CG2-CD1 4.12Å; V161-I174 HydrophobicContact CG2-CG1 4.35Å; V161-I174 HydrophobicContact CG2-CG2 4.16Å; F162-I174 CarbonylContact O-C 3.58Å; F162-I174 WeakPolarHBondContact O-CA 3.48Å
175G97.9Very high92Very high0 Ų026 Ų260%014%0.142CC..EExtended strand (participates in β ladder)trans-162.4168.1175.600000114.5A11 F162A11-G175 CarbonylContact O-C 3.41Å; A11-G175 WeakPolarHBondContact O-CA 3.24Å; F162-G175 PolarHBondContact N-O 3.25Å; F162-G175 PolarHBondContact O-N 3.1Å
176I97.9Very high92.1Very high0 Ų025.6 Ų25.60%014%0.14CC..EExtended strand (participates in β ladder)trans-113.3130.2176.6-64.2-175.9000108.2P9 W10 A11 I81 Y108 L111 M157 L178P9-I176 CarbonylContact C-O 3.6Å; P9-I176 WeakPolarHBondContact CA-O 3.33Å; P9-I176 WeakPolarHBondContact CB-O 3.33Å; W10-I176 PolarHBondContact N-O 3.46Å; A11-I176 PolarHBondContact O-N 3.49Å; I81-I176 HydrophobicContact CD1-CD1 3.51Å; I81-I176 HydrophobicContact CG1-CD1 4.36Å; Y108-I176 HydrophobicContact CE2-CD1 3.84Å; L111-I176 HydrophobicContact CD1-CG2 3.74Å; M157-I176 HydrophobicContact CB-CD1 4.26Å; M157-I176 HydrophobicContact CG-CD1 4.15Å; I176-L178 HydrophobicContact CG2-CD2 3.96Å
177Y97Very high92.3Very high0 Ų025.1 Ų25.10%014%0.137CC..  trans-123.9117178.8-64.3-99.9000106.9E7 P9 F162 I164 L180 S181 Y195 V198E7-Y177 HydrophobicContact CB-CD1 4.25Å; E7-Y177 HydrophobicContact CG-CD1 4.12Å; E7-Y177 WeakPolarHBondContact O-CE1 3.3Å; P9-Y177 HydrophobicContact CB-CD1 4.15Å; P9-Y177 HydrophobicContact CB-CD2 4.32Å; P9-Y177 HydrophobicContact CB-CE1 3.78Å; P9-Y177 HydrophobicContact CB-CE2 3.94Å; P9-Y177 HydrophobicContact CB-CG 4.4Å; P9-Y177 VanDerWaalsContact CD-CE1 3.46Å; P9-Y177 HydrophobicContact CG-CE1 4.12Å; F162-Y177 HydrophobicContact CB-CD2 4.03Å; F162-Y177 HydrophobicContact CB-CE2 4.01Å; F162-Y177 AromaticContact CD2-CD2 3.78Å; F162-Y177 HydrophobicContact CD2-CD2 3.78Å; F162-Y177 HydrophobicContact CE2-CD2 4.48Å; F162-Y177 AromaticContact CG-CD2 3.92Å; F162-Y177 HydrophobicContact CG-CD2 3.92Å; F162-Y177 HydrophobicContact CG-CE2 4.36Å; I164-Y177 HydrophobicContact CD1-CE2 4.13Å; I164-Y177 WeakPolarHBondContact CD1-OH 3.28Å; I164-Y177 HydrophobicContact CG1-CE2 4.2Å; I164-Y177 WeakPolarHBondContact CG1-OH 3.48Å; Y177-L180 HydrophobicContact CD1-CD1 3.78Å; Y177-L180 HydrophobicContact CE1-CD1 4.46Å; Y177-L180 HydrophobicContact CG-CD1 3.89Å; Y177-S181 VanDerWaalsContact O-CB 3.25Å; Y177-S181 WeakPolarHBondContact O-CB 3.33Å; Y177-S181 PolarHBondContact O-N 3.24Å; Y177-S181 PolarHBondContact O-OG 3.2Å; Y177-Y195 HydrophobicContact CE2-CE1 4.1Å; Y177-Y195 AromaticContact CZ-CE1 3.79Å; Y177-Y195 WeakPolarHBondContact OH-CE1 3.3Å; Y177-V198 WeakPolarHBondContact CE1-O 3.41Å; Y177-V198 PolarHBondContact OH-O 3.42Å
178L96.1Very high92.7Very high0 Ų026.2 Ų26.20%015%0.145CC..THydrogen-bonded Turntrans-71.6-44.6-168.6-59-170.7000111.1E7 W10 P92 Y105 L111 I176E7-L178 PolarHBondContact OE1-N 3.36Å; W10-L178 HydrophobicContact CB-CD2 4.23Å; W10-L178 HydrophobicContact CB-CG 4.03Å; W10-L178 HydrophobicContact CG-CD1 4.36Å; W10-L178 HydrophobicContact CG-CD2 4.39Å; W10-L178 HydrophobicContact CG-CG 4.32Å; P92-L178 HydrophobicContact CB-CB 4.46Å; P92-L178 HydrophobicContact CB-CD1 3.99Å; Y105-L178 VanDerWaalsContact CD2-O 3.3Å; Y105-L178 WeakPolarHBondContact CD2-O 3.43Å; L111-L178 HydrophobicContact CD1-CD2 4.02Å; L111-L178 HydrophobicContact CD2-CD2 4.08Å; L111-L178 HydrophobicContact CG-CD2 4.12Å; I176-L178 HydrophobicContact CG2-CD2 3.96Å
179T94.7Very high93.5Very high1 Ų124.4 Ų24.41%0.00613%0.133CC..THydrogen-bonded Turntrans-71.9-46179.2-55.60000111.4L5 E7 R95 L100 F103 S181 Q182L5-T179 HydrophobicContact CD2-CG2 3.46Å; L5-T179 VanDerWaalsContact CD2-CG2 3.46Å; E7-T179 PolarHBondContact OE1-N 3.36Å; E7-T179 WeakPolarHBondContact OE2-CA 3.38Å; E7-T179 WeakPolarHBondContact OE2-CB 3.49Å; E7-T179 PolarHBondContact OE2-N 3.43Å; E7-T179 VanDerWaalsContact OE2-N 3.11Å; R95-T179 PolarHBondContact NE-OG1 3.34Å; R95-T179 PolarHBondContact NH2-OG1 3.2Å; L100-T179 HydrophobicContact CD1-CG2 4.25Å; F103-T179 HydrophobicContact CB-CG2 4Å; F103-T179 HydrophobicContact CD2-CG2 4.35Å; F103-T179 HydrophobicContact CG-CG2 4.08Å; T179-S181 PolarHBondContact O-N 3.07Å; T179-Q182 WeakPolarHBondContact O-CB 3.49Å; T179-Q182 PolarHBondContact O-N 2.98Å; T179-Q182 VanDerWaalsContact O-N 3.13Å
180L95.9Very high93.9Very high1 Ų122.1 Ų22.11%0.00512%0.123CC..G310 helixtrans-63-25.3178.3-63.2173.9000113.1L5 E7 F162 Y177 Q182 L183 I193 L202L5-L180 HydrophobicContact CD2-CD2 3.71Å; L5-L180 HydrophobicContact CD2-CG 4.22Å; E7-L180 HydrophobicContact CB-CD1 4.34Å; E7-L180 HydrophobicContact CB-CG 4.39Å; E7-L180 WeakPolarHBondContact OE2-CG 3.24Å; E7-L180 PolarHBondContact OE2-N 3.22Å; F162-L180 HydrophobicContact CE1-CB 4.49Å; F162-L180 HydrophobicContact CZ-CB 4.07Å; Y177-L180 HydrophobicContact CD1-CD1 3.78Å; Y177-L180 HydrophobicContact CE1-CD1 4.46Å; Y177-L180 HydrophobicContact CG-CD1 3.89Å; L180-Q182 PolarHBondContact O-N 3.04Å; L180-L183 HydrophobicContact CB-CD1 4.3Å; L180-L183 HydrophobicContact CD2-CD1 3.71Å; L180-L183 WeakPolarHBondContact O-CB 3.27Å; L180-L183 WeakPolarHBondContact O-CG 3.48Å; L180-L183 PolarHBondContact O-N 2.97Å; L180-I193 HydrophobicContact CB-CD1 4.28Å; L180-I193 HydrophobicContact CD1-CD1 4.08Å; L180-I193 HydrophobicContact CD1-CG1 4.44Å; L180-I193 HydrophobicContact CD1-CG2 4.25Å; L180-I193 HydrophobicContact CD2-CD1 4.13Å; L180-I193 HydrophobicContact CD2-CG1 4.2Å; L180-I193 HydrophobicContact CG-CD1 4.4Å; L180-L202 HydrophobicContact CD2-CB 3.97Å; L180-L202 HydrophobicContact CD2-CD2 4.26Å
181S96.4Very high94.2Very high10 Ų1018.2 Ų18.27%0.0710%0.103CC..G310 helixtrans-66.9-18.2176.3-64.30000113.9L111 Y177 T179 L183L111-S181 VanDerWaalsContact CD2-CB 3.49Å; Y177-S181 VanDerWaalsContact O-CB 3.25Å; Y177-S181 WeakPolarHBondContact O-CB 3.33Å; Y177-S181 PolarHBondContact O-N 3.24Å; Y177-S181 PolarHBondContact O-OG 3.2Å; T179-S181 PolarHBondContact O-N 3.07Å; S181-L183 VanDerWaalsContact C-N 3.34Å
182Q95.6Very high94.3Very high16 Ų1616.3 Ų16.38%0.0759%0.088CC..G310 helixtrans-76.4-22.9176.6-70170.568.900112.8N104 Y105 T179 L180 K184 L216N104-Q182 PolarHBondContact OD1-OE1 3.4Å; Y105-Q182 VanDerWaalsContact CB-NE2 3.31Å; Y105-Q182 HydrophobicContact CD1-CG 3.54Å; Y105-Q182 HydrophobicContact CD2-CG 3.37Å; Y105-Q182 HydrophobicContact CE1-CG 3.7Å; Y105-Q182 HydrophobicContact CE2-CG 3.51Å; Y105-Q182 HydrophobicContact CG-CG 3.37Å; Y105-Q182 VanDerWaalsContact N-NE2 3.13Å; T179-Q182 WeakPolarHBondContact O-CB 3.49Å; T179-Q182 PolarHBondContact O-N 2.98Å; T179-Q182 VanDerWaalsContact O-N 3.13Å; L180-Q182 PolarHBondContact O-N 3.04Å; Q182-K184 PolarHBondContact O-N 2.87Å; Q182-L216 HydrophobicContact CB-CD2 3.48Å; Q182-L216 VanDerWaalsContact CB-CD2 3.48Å; Q182-L216 HydrophobicContact CG-CD2 4.21Å; Q182-L216 VanDerWaalsContact OE1-CD2 3.27Å
183L95.6Very high94.2Very high1 Ų117.4 Ų17.41%0.0059%0.093CC..PPolyproline II helixtrans-61.7132.3-175.5-65.7169.4000110.8L180 S181 I193 L202 L216 I219 I221 Y223L180-L183 HydrophobicContact CB-CD1 4.3Å; L180-L183 HydrophobicContact CD2-CD1 3.71Å; L180-L183 WeakPolarHBondContact O-CB 3.27Å; L180-L183 WeakPolarHBondContact O-CG 3.48Å; L180-L183 PolarHBondContact O-N 2.97Å; S181-L183 VanDerWaalsContact C-N 3.34Å; L183-I193 HydrophobicContact CD1-CD1 4.35Å; L183-L202 HydrophobicContact CD1-CD1 3.73Å; L183-L202 HydrophobicContact CD1-CD2 3.81Å; L183-L202 HydrophobicContact CD1-CG 4.4Å; L183-L202 HydrophobicContact CD2-CD2 3.84Å; L183-L202 HydrophobicContact CG-CD2 4.42Å; L183-L216 HydrophobicContact CD2-CD1 3.53Å; L183-L216 HydrophobicContact CD2-CG 4.34Å; L183-L216 HydrophobicContact CG-CD1 4.37Å; L183-I219 HydrophobicContact CD2-CB 4Å; L183-I219 HydrophobicContact CD2-CG2 3.82Å; L183-I221 HydrophobicContact CB-CD1 4.12Å; L183-I221 HydrophobicContact CB-CG1 4.08Å; L183-I221 HydrophobicContact CD1-CD1 4.15Å; L183-I221 HydrophobicContact CD1-CG2 3.94Å; L183-Y223 PolarHBondContact O-OH 3.47Å
184K95.2Very high93.9Very high103 Ų10317.8 Ų17.845%0.44810%0.095SC..EExtended strand (participates in β ladder)trans-87159.7-178.6-59.2-56.7-178.9-173.50112.2E112 Q182 S220 I221E112-K184 IonicContact OE1-NZ 3.83Å; E112-K184 PolarHBondContact OE1-NZ 2.77Å; Q182-K184 PolarHBondContact O-N 2.87Å; K184-S220 VanDerWaalsContact O-CA 3.3Å; K184-S220 WeakPolarHBondContact O-CA 3.49Å; K184-I221 PolarHBondContact O-N 3.36Å
185H95.4Very high93.6Very high21 Ų2118.4 Ų18.410%0.09710%0.097CC..EExtended strand (participates in β ladder)trans-80.6138.9178.7-179.355.6000112.7C187 I221 Y223 L237 F243H185-C187 PolarHBondContact NE2-N 3.47Å; H185-C187 PolarHBondContact NE2-SG 3.29Å; H185-I221 CarbonylContact C-O 3.39Å; H185-I221 VanDerWaalsContact CA-O 3.29Å; H185-I221 WeakPolarHBondContact CA-O 3.41Å; H185-I221 PolarHBondContact ND1-O 2.98Å; H185-Y223 HydrophobicContact CB-CD1 4.11Å; H185-Y223 HydrophobicContact CB-CD2 3.72Å; H185-Y223 HydrophobicContact CB-CE1 4.07Å; H185-Y223 HydrophobicContact CB-CE2 3.69Å; H185-Y223 HydrophobicContact CB-CG 3.93Å; H185-Y223 AromaticContact ND1-CG 3.85Å; H185-Y223 PolarHBondContact ND1-N 2.98Å; H185-Y223 VanDerWaalsContact ND1-N 3.1Å; H185-L237 WeakPolarHBondContact CD2-CD1 3.46Å; H185-L237 WeakPolarHBondContact NE2-CD1 3.13Å; H185-F243 HydrophobicContact CB-CE2 4.3Å; H185-F243 HydrophobicContact CB-CZ 3.64Å; H185-F243 AromaticContact CD2-CZ 3.9Å; H185-F243 AromaticContact CG-CZ 3.99Å
186S94.4Very high93.2Very high11 Ų1121.4 Ų21.48%0.07711%0.113CC..  trans-136.3143156.9178.30000109.8S188 S220 I221 C247S186-S188 PolarHBondContact O-N 3.23Å; S186-S188 PolarHBondContact OG-N 3.31Å; S186-S188 PolarHBondContact OG-O 2.94Å; S186-S220 WeakPolarHBondContact CB-OG 3.37Å; S186-I221 PolarHBondContact N-O 3.38Å; S186-C247 WeakPolarHBondContact OG-CB 3.49Å
187C91.3Very high93Very high1 Ų121.8 Ų21.81%0.00712%0.118CC..SBendtrans-75.5-9.5169.2-59.80000112.4H185 R233 C247 R249 C250H185-C187 PolarHBondContact NE2-N 3.47Å; H185-C187 PolarHBondContact NE2-SG 3.29Å; C187-R233 PolarHBondContact SG-NE 3.22Å; C187-C247 VanDerWaalsContact CB-SG 3.55Å; C187-C247 PolarHBondContact N-SG 2.88Å; C187-R249 HydrophobicContact CB-CB 4.15Å; C187-R249 HydrophobicContact CB-CG 4.35Å; C187-R249 VanDerWaalsContact O-CD 3.23Å; C187-R249 WeakPolarHBondContact O-CD 3.28Å; C187-R249 PolarHBondContact O-NH1 2.88Å; C187-C250 PolarHBondContact SG-SG 3.06Å
188S89.4Confident92.9Very high64 Ų6422.4 Ų22.445%0.44812%0.121SC..SBendtrans-127.472.3168.4-176.60000107.9S186S186-S188 PolarHBondContact O-N 3.23Å; S186-S188 PolarHBondContact OG-N 3.31Å; S186-S188 PolarHBondContact OG-O 2.94Å
189P91Very high92.9Very high19 Ų1923.5 Ų23.512%0.12313%0.128CC..  trans-70.5151.8-175.332.1-36.2000111.4S220 M226P189-S220 VanDerWaalsContact CB-O 3.27Å; P189-S220 WeakPolarHBondContact CB-O 3.42Å; P189-M226 HydrophobicContact CG-SD 4.08Å
190N88.9Confident92.9Very high45 Ų4523.4 Ų23.424%0.24113%0.128CC..SBendtrans-99.37.2171.361.90.8000112.6F204 F205 K218 S220N190-F204 HydrophobicContact CB-CE2 4.12Å; N190-F204 HydrophobicContact CB-CZ 4.06Å; N190-F204 WeakPolarHBondContact ND2-CE2 3.49Å; N190-F205 VanDerWaalsContact C-CD2 3.44Å; N190-F205 WeakPolarHBondContact O-CB 3.24Å; N190-F205 PolarHBondContact O-N 3.18Å; N190-K218 PolarHBondContact ND2-O 3.41Å; N190-S220 PolarHBondContact N-O 3.06Å; N190-S220 PolarHBondContact N-OG 3.1Å; N190-S220 PolarHBondContact OD1-N 2.88Å; N190-S220 PolarHBondContact OD1-O 2.66Å; N190-S220 PolarHBondContact OD1-OG 2.63Å
191S89.5Confident92.7Very high0 Ų024 Ų240%013%0.13CC..EExtended strand (participates in β ladder)trans-150.8165.8176.770.10000111.6N203 I219 S220 I221S191-N203 CarbonylContact C-O 3.47Å; S191-N203 WeakPolarHBondContact CA-O 3.21Å; S191-N203 VanDerWaalsContact CB-O 3.31Å; S191-N203 WeakPolarHBondContact CB-O 3.32Å; S191-I219 WeakPolarHBondContact OG-CG2 3.33Å; S191-S220 PolarHBondContact N-O 3.07Å; S191-S220 VanDerWaalsContact N-O 3.1Å; S191-S220 PolarHBondContact OG-O 3.19Å; S191-I221 VanDerWaalsContact OG-CG2 3.27Å; S191-I221 WeakPolarHBondContact OG-CG2 3.32Å
192M89.6Confident92.5Very high38 Ų3823.6 Ų23.619%0.18713%0.127CC..EExtended strand (participates in β ladder)trans-146.7147.1175-175.7174.6-67.100111.5I194 N203 F205 L389 P390M192-I194 HydrophobicContact CG-CD1 4.3Å; M192-I194 HydrophobicContact SD-CD1 4.12Å; M192-N203 PolarHBondContact N-O 3.36Å; M192-N203 PolarHBondContact O-N 3.4Å; M192-F205 HydrophobicContact CB-CE1 4.11Å; M192-F205 HydrophobicContact CB-CE2 4.34Å; M192-F205 HydrophobicContact CB-CZ 3.55Å; M192-F205 HydrophobicContact CE-CZ 4.11Å; M192-L389 HydrophobicContact CE-CD2 3.83Å; M192-P390 HydrophobicContact CE-CG 4.41Å; M192-P390 WeakPolarHBondContact SD-CD 3.42Å; M192-P390 HydrophobicContact SD-CG 3.3Å; M192-P390 WeakPolarHBondContact SD-CG 3.43Å
193I91.8Very high92.2Very high23 Ų2322.9 Ų22.912%0.11812%0.124CC..EExtended strand (participates in β ladder)trans-90.1122172.2-57163.7000109.1F162 L180 L183 Y195 H201 L202 I221F162-I193 HydrophobicContact CD1-CD1 4.18Å; F162-I193 HydrophobicContact CE1-CD1 3.63Å; L180-I193 HydrophobicContact CB-CD1 4.28Å; L180-I193 HydrophobicContact CD1-CD1 4.08Å; L180-I193 HydrophobicContact CD1-CG1 4.44Å; L180-I193 HydrophobicContact CD1-CG2 4.25Å; L180-I193 HydrophobicContact CD2-CD1 4.13Å; L180-I193 HydrophobicContact CD2-CG1 4.2Å; L180-I193 HydrophobicContact CG-CD1 4.4Å; L183-I193 HydrophobicContact CD1-CD1 4.35Å; I193-Y195 HydrophobicContact CB-CE2 4.33Å; I193-Y195 HydrophobicContact CG2-CD2 4.23Å; I193-Y195 HydrophobicContact CG2-CE1 4.02Å; I193-Y195 HydrophobicContact CG2-CE2 3.69Å; I193-H201 WeakPolarHBondContact CA-O 3.32Å; I193-L202 HydrophobicContact CG1-CD1 4.06Å; I193-I221 HydrophobicContact CD1-CD1 3.72Å; I193-I221 HydrophobicContact CG1-CG2 4.35Å
194I89.9Confident91.6Very high8 Ų824.3 Ų24.34%0.04113%0.13CC..EExtended strand (participates in β ladder)trans-106.8141.5171.3-61-57.3000108.5M192 H201 N203 P390 C426 Y427M192-I194 HydrophobicContact CG-CD1 4.3Å; M192-I194 HydrophobicContact SD-CD1 4.12Å; I194-H201 HydrophobicContact CB-CB 4.45Å; I194-H201 PolarHBondContact N-O 3.5Å; I194-H201 WeakPolarHBondContact O-CB 3.29Å; I194-H201 PolarHBondContact O-CD2 2.92Å; I194-H201 PolarHBondContact O-N 2.72Å; I194-N203 WeakPolarHBondContact CG1-ND2 2.89Å; I194-P390 HydrophobicContact CD1-CB 4.39Å; I194-P390 HydrophobicContact CD1-CG 3.52Å; I194-C426 WeakPolarHBondContact CG1-O 3.4Å; I194-Y427 HydrophobicContact CD1-CD1 4.29Å; I194-Y427 HydrophobicContact CD1-CE1 4.1Å; I194-Y427 HydrophobicContact CG1-CD1 4.46Å; I194-Y427 HydrophobicContact CG2-CD1 3.44Å; I194-Y427 VanDerWaalsContact CG2-CD1 3.44Å; I194-Y427 HydrophobicContact CG2-CE1 3.82Å
195Y92Very high90.9Very high24 Ų2420.7 Ų20.79%0.09412%0.115CC..EExtended strand (participates in β ladder)trans-111124-177.1-65.6-90.4000111.8F162 I164 P165 Y177 I193 T199 H431F162-Y195 WeakPolarHBondContact CD1-OH 3.33Å; I164-Y195 HydrophobicContact CG1-CE1 4.17Å; I164-Y195 HydrophobicContact CG2-CD1 3.92Å; I164-Y195 HydrophobicContact CG2-CE1 4.39Å; I164-Y195 HydrophobicContact CG2-CG 4.32Å; P165-Y195 HydrophobicContact CG-CD2 3.7Å; P165-Y195 HydrophobicContact CG-CE2 4.34Å; P165-Y195 HydrophobicContact CG-CG 4.3Å; Y177-Y195 HydrophobicContact CE2-CE1 4.1Å; Y177-Y195 AromaticContact CZ-CE1 3.79Å; Y177-Y195 WeakPolarHBondContact OH-CE1 3.3Å; I193-Y195 HydrophobicContact CB-CE2 4.33Å; I193-Y195 HydrophobicContact CG2-CD2 4.23Å; I193-Y195 HydrophobicContact CG2-CE1 4.02Å; I193-Y195 HydrophobicContact CG2-CE2 3.69Å; Y195-T199 WeakPolarHBondContact CA-O 3.45Å; Y195-H431 PolarHBondContact O-NE2 3.45Å; Y195-H431 VanDerWaalsContact O-NE2 3.11Å
196D90.1Very high89.6Confident63 Ų6321.8 Ų21.834%0.33713%0.132SC..EExtended strand (participates in β ladder)trans-105.6103.3161.3-174.38.9000109V198 T199 H201D196-V198 PolarHBondContact O-N 3.34Å; D196-V198 VanDerWaalsContact O-N 3.17Å; D196-T199 PolarHBondContact N-O 2.98Å; D196-T199 VanDerWaalsContact N-O 3.08Å; D196-T199 PolarHBondContact O-N 3.49Å; D196-H201 WeakPolarHBondContact CB-NE2 3.4Å
197G93.4Very high88.2Confident9 Ų931 Ų319%0.09317%0.173CC..THydrogen-bonded Turntrans61-116.7-168.300000111C26 I164C26-G197 CarbonylContact O-C 3.56Å; C26-G197 WeakPolarHBondContact O-CA 3.34Å; I164-G197 WeakPolarHBondContact CG2-O 3.17Å
198V95.6Very high87.1Confident12 Ų1232.9 Ų32.97%0.07318%0.183CC..THydrogen-bonded Turntrans-94-12.7175.2-62.10000113.1P9 Y12 C26 F27 Y177 D196 G200P9-V198 WeakPolarHBondContact CD-O 3.37Å; P9-V198 HydrophobicContact CG-CB 3.98Å; P9-V198 HydrophobicContact CG-CG2 4.36Å; Y12-V198 HydrophobicContact CD2-CG1 3.81Å; Y12-V198 HydrophobicContact CE2-CG1 3.84Å; C26-V198 PolarHBondContact O-N 2.99Å; F27-V198 HydrophobicContact CB-CG1 3.89Å; F27-V198 HydrophobicContact CD1-CG1 3.71Å; F27-V198 HydrophobicContact CD2-CG1 3.82Å; F27-V198 HydrophobicContact CE1-CG1 4.15Å; F27-V198 HydrophobicContact CE2-CG1 4.25Å; F27-V198 HydrophobicContact CG-CG1 3.53Å; F27-V198 HydrophobicContact CZ-CG1 4.39Å; Y177-V198 WeakPolarHBondContact CE1-O 3.41Å; Y177-V198 PolarHBondContact OH-O 3.42Å; D196-V198 PolarHBondContact O-N 3.34Å; D196-V198 VanDerWaalsContact O-N 3.17Å; V198-G200 PolarHBondContact O-N 2.95Å
199T95Very high86.4Confident23 Ų2335.3 Ų35.314%0.14119%0.191CC..EExtended strand (participates in β ladder)trans-76.4126.5-177.5-52.20000109.5E6 K8 Y195 D196 H201E6-T199 HydrophobicContact CB-CG2 4.27Å; K8-T199 HydrophobicContact CG-CG2 4.47Å; Y195-T199 WeakPolarHBondContact CA-O 3.45Å; D196-T199 PolarHBondContact N-O 2.98Å; D196-T199 VanDerWaalsContact N-O 3.08Å; D196-T199 PolarHBondContact O-N 3.49Å; T199-H201 PolarHBondContact O-CD2 2.94Å
200G94.7Very high85.5Confident0 Ų041.8 Ų41.80%022%0.22CC..EExtended strand (participates in β ladder)trans-89.3127.8171.700000110.2E6 E7 V198E6-G200 WeakPolarHBondContact CA-O 3.5Å; E7-G200 PolarHBondContact N-O 3.18Å; E7-G200 PolarHBondContact O-N 3.14Å; V198-G200 PolarHBondContact O-N 2.95Å
201H92.8Very high85.1Confident14 Ų1446.4 Ų46.47%0.06524%0.244CC..EExtended strand (participates in β ladder)trans-111.5109.3178.6-59-92.3000108.3T3 E6 I193 I194 D196 T199 N203 R428T3-H201 HydrophobicContact CG2-CB 4.31Å; E6-H201 WeakPolarHBondContact CG-ND1 3.02Å; E6-H201 IonicContact OE2-CE1 2.63Å; E6-H201 PolarHBondContact OE2-CE1 3.38Å; E6-H201 IonicContact OE2-ND1 3.47Å; I193-H201 WeakPolarHBondContact CA-O 3.32Å; I194-H201 HydrophobicContact CB-CB 4.45Å; I194-H201 PolarHBondContact N-O 3.5Å; I194-H201 WeakPolarHBondContact O-CB 3.29Å; I194-H201 PolarHBondContact O-CD2 2.92Å; I194-H201 PolarHBondContact O-N 2.72Å; D196-H201 WeakPolarHBondContact CB-NE2 3.4Å; T199-H201 PolarHBondContact O-CD2 2.94Å; H201-N203 PolarHBondContact O-N 3.09Å; H201-R428 PolarHBondContact ND1-NH2 3.33Å
202L92.3Very high84.7Confident0 Ų048 Ų480%026%0.258CS..EExtended strand (participates in β ladder)trans-81.9105.4176.8-17760.8000109.2T3 V4 L5 L180 L183 I193 I219 I221T3-L202 WeakPolarHBondContact CA-O 3.29Å; V4-L202 HydrophobicContact CG2-CB 4.09Å; V4-L202 HydrophobicContact CG2-CD2 3.68Å; V4-L202 HydrophobicContact CG2-CG 3.69Å; V4-L202 WeakPolarHBondContact CG2-O 3.46Å; V4-L202 PolarHBondContact N-O 3.18Å; L5-L202 HydrophobicContact CB-CB 4.06Å; L5-L202 HydrophobicContact CB-CD2 4.37Å; L5-L202 PolarHBondContact O-N 2.94Å; L180-L202 HydrophobicContact CD2-CB 3.97Å; L180-L202 HydrophobicContact CD2-CD2 4.26Å; L183-L202 HydrophobicContact CD1-CD1 3.73Å; L183-L202 HydrophobicContact CD1-CD2 3.81Å; L183-L202 HydrophobicContact CD1-CG 4.4Å; L183-L202 HydrophobicContact CD2-CD2 3.84Å; L183-L202 HydrophobicContact CG-CD2 4.42Å; I193-L202 HydrophobicContact CG1-CD1 4.06Å; L202-I219 HydrophobicContact CD1-CG2 4.47Å; L202-I219 HydrophobicContact CD2-CG2 4.17Å; L202-I221 HydrophobicContact CD1-CG2 3.9Å
203N87.7Confident84.6Confident2 Ų252.6 Ų52.61%0.01128%0.276CS..EExtended strand (participates in β ladder)trans-102.8127.8179.6-62.8-19.5000110.2M1 T3 S191 M192 I194 H201 C426M1-N203 HydrophobicContact CE-CB 3.45Å; M1-N203 VanDerWaalsContact CE-CB 3.45Å; M1-N203 HydrophobicContact CG-CB 3.88Å; M1-N203 HydrophobicContact SD-CB 3.61Å; M1-N203 PolarHBondContact SD-ND2 3.3Å; M1-N203 VanDerWaalsContact SD-ND2 3.36Å; T3-N203 WeakPolarHBondContact CB-OD1 3.29Å; T3-N203 PolarHBondContact OG1-OD1 3.44Å; S191-N203 CarbonylContact C-O 3.47Å; S191-N203 WeakPolarHBondContact CA-O 3.21Å; S191-N203 VanDerWaalsContact CB-O 3.31Å; S191-N203 WeakPolarHBondContact CB-O 3.32Å; M192-N203 PolarHBondContact N-O 3.36Å; M192-N203 PolarHBondContact O-N 3.4Å; I194-N203 WeakPolarHBondContact CG1-ND2 2.89Å; H201-N203 PolarHBondContact O-N 3.09Å; N203-C426 PolarHBondContact ND2-O 3.33Å
204F84.3Confident84.4Confident31 Ų3152.6 Ų52.614%0.13628%0.278CS..EExtended strand (participates in β ladder)trans-91.2140.9178.4-164.8-86.1000111.3L2 V4 N190 I208 I219L2-F204 PolarHBondContact O-N 2.99Å; V4-F204 HydrophobicContact CG1-CB 4.3Å; N190-F204 HydrophobicContact CB-CE2 4.12Å; N190-F204 HydrophobicContact CB-CZ 4.06Å; N190-F204 WeakPolarHBondContact ND2-CE2 3.49Å; F204-I208 HydrophobicContact CB-CD1 3.69Å; F204-I208 HydrophobicContact CD1-CD1 3.01Å; F204-I208 HydrophobicContact CD1-CG1 3.48Å; F204-I208 VanDerWaalsContact CD1-CG1 3.48Å; F204-I208 HydrophobicContact CD2-CD1 4.04Å; F204-I208 HydrophobicContact CE1-CD1 3.48Å; F204-I208 VanDerWaalsContact CE1-CD1 3.48Å; F204-I208 HydrophobicContact CE1-CG1 3.69Å; F204-I208 HydrophobicContact CE2-CD1 4.42Å; F204-I208 HydrophobicContact CG-CD1 3.31Å; F204-I208 HydrophobicContact CG-CG1 4.28Å; F204-I208 HydrophobicContact CZ-CD1 4.16Å; F204-I219 HydrophobicContact CD2-CG1 4.22Å; F204-I219 HydrophobicContact CD2-CG2 4.3Å; F204-I219 HydrophobicContact CE2-CG1 4.11Å
205F80Confident84.5Confident27 Ų2755.2 Ų55.212%0.11829%0.29CS..PPolyproline II helixtrans-89.4132.1177.2-57.1-35.7000110.5M1 N190 M192 N388M1-F205 HydrophobicContact CE-CD1 4.42Å; M1-F205 HydrophobicContact CE-CE1 4.32Å; N190-F205 VanDerWaalsContact C-CD2 3.44Å; N190-F205 WeakPolarHBondContact O-CB 3.24Å; N190-F205 PolarHBondContact O-N 3.18Å; M192-F205 HydrophobicContact CB-CE1 4.11Å; M192-F205 HydrophobicContact CB-CE2 4.34Å; M192-F205 HydrophobicContact CB-CZ 3.55Å; M192-F205 HydrophobicContact CE-CZ 4.11Å; F205-N388 HydrophobicContact CD1-CB 4.46Å; F205-N388 HydrophobicContact CE1-CB 4.36Å
206G69.1Low84.5Confident44 Ų4454.7 Ų54.745%0.45429%0.289SS..SBendtrans110.6173.2-179.100000113.3I208G206-I208 PolarHBondContact O-N 3.04Å
207E65.1Low84.6Confident204 Ų20455.7 Ų55.795%0.95331%0.306SS*.  trans-80.1102.1172.4-64.1-176.417100107.7
208I67.8Low84.5Confident40 Ų4061.3 Ų61.321%0.20533%0.328CS..  trans-104.3134.7162.4-57177.5000106.1L2 F204 G206 E210 A212L2-I208 HydrophobicContact CD2-CB 4.14Å; L2-I208 HydrophobicContact CD2-CD1 4.32Å; L2-I208 HydrophobicContact CD2-CG2 3.94Å; F204-I208 HydrophobicContact CB-CD1 3.69Å; F204-I208 HydrophobicContact CD1-CD1 3.01Å; F204-I208 HydrophobicContact CD1-CG1 3.48Å; F204-I208 VanDerWaalsContact CD1-CG1 3.48Å; F204-I208 HydrophobicContact CD2-CD1 4.04Å; F204-I208 HydrophobicContact CE1-CD1 3.48Å; F204-I208 VanDerWaalsContact CE1-CD1 3.48Å; F204-I208 HydrophobicContact CE1-CG1 3.69Å; F204-I208 HydrophobicContact CE2-CD1 4.42Å; F204-I208 HydrophobicContact CG-CD1 3.31Å; F204-I208 HydrophobicContact CG-CG1 4.28Å; F204-I208 HydrophobicContact CZ-CD1 4.16Å; G206-I208 PolarHBondContact O-N 3.04Å; I208-E210 PolarHBondContact O-N 3.2Å; I208-A212 HydrophobicContact CG2-CB 3.34Å
209D74.8Confident84.3Confident115 Ų11560.8 Ų60.862%0.61532%0.324SS*.  trans-47.1130.6158.9-171.5-7.8000110D211 A212D209-D211 PolarHBondContact O-N 3.13Å; D209-D211 VanDerWaalsContact O-N 3.11Å; D209-D211 PolarHBondContact OD1-N 3.49Å; D209-A212 HydrophobicContact CB-CB 4.26Å; D209-A212 WeakPolarHBondContact O-CB 3.37Å; D209-A212 PolarHBondContact O-N 2.93Å
210E72.4Confident84.2Confident156 Ų15660.6 Ų60.673%0.72932%0.324SS*.THydrogen-bonded Turntrans-59.8-25.9-175.6-66.8-172.1164.400112I208I208-E210 PolarHBondContact O-N 3.2Å
211D79.3Confident84.2Confident141 Ų14161 Ų6175%0.75433%0.326SS*.THydrogen-bonded Turntrans-86-8.8177.9-69.9-37.1000113.8D209D209-D211 PolarHBondContact O-N 3.13Å; D209-D211 VanDerWaalsContact O-N 3.11Å; D209-D211 PolarHBondContact OD1-N 3.49Å
212A81.4Confident84.2Confident35 Ų3561.8 Ų61.829%0.28933%0.334SS..  trans-71.1140.8-178.600000111.6I208 D209 P214I208-A212 HydrophobicContact CG2-CB 3.34Å; D209-A212 HydrophobicContact CB-CB 4.26Å; D209-A212 WeakPolarHBondContact O-CB 3.37Å; D209-A212 PolarHBondContact O-N 2.93Å; A212-P214 VanDerWaalsContact O-CD 3.3Å; A212-P214 WeakPolarHBondContact O-CD 3.37Å
213K87.1Confident84.3Confident133 Ų13364.5 Ų64.558%0.57834%0.344SS*.  trans-113.388.8174.3-65.8-179.1-177.9178.30108.2Q101Q101-K213 HydrophobicContact CB-CB 4.38Å; Q101-K213 WeakPolarHBondContact CB-O 3.31Å
214P88.7Confident84.3Confident23 Ų2365.7 Ų65.715%0.14935%0.35CS..  trans-60143.9176.722.6-34.3000111.9V4 N99 Q101 A212 I219V4-P214 HydrophobicContact CG1-CG 4.02Å; N99-P214 VanDerWaalsContact O-CD 3.31Å; N99-P214 WeakPolarHBondContact O-CD 3.23Å; Q101-P214 PolarHBondContact N-O 3.32Å; A212-P214 VanDerWaalsContact O-CD 3.3Å; A212-P214 WeakPolarHBondContact O-CD 3.37Å; P214-I219 HydrophobicContact CB-CD1 4.04Å; P214-I219 HydrophobicContact CB-CG1 4.24Å; P214-I219 HydrophobicContact CG-CD1 3.87Å
215E91.6Very high84.1Confident63 Ų6369.3 Ų69.329%0.29438%0.377SS..  trans-64.4133.5166.4-65167.5-142.100109.6Q101 D102 A217 K218Q101-E215 HydrophobicContact CB-CG 4.41Å; D102-E215 WeakPolarHBondContact OD1-CA 3.4Å; E215-A217 PolarHBondContact O-N 2.92Å; E215-K218 HydrophobicContact CB-CD 4.2Å; E215-K218 HydrophobicContact CB-CG 4.23Å; E215-K218 PolarHBondContact O-N 3.02Å; E215-K218 IonicContact OE1-NZ 3.4Å; E215-K218 PolarHBondContact OE1-NZ 2.91Å; E215-K218 WeakPolarHBondContact OE2-CE 3.43Å; E215-K218 IonicContact OE2-NZ 3.13Å; E215-K218 PolarHBondContact OE2-NZ 3.12Å
216L91.7Very high84Confident13 Ų1369 Ų697%0.06838%0.376CS..G310 helixtrans-59.3-34.4-178.6-173.374.3000112.1L100 D102 F103 Q182 L183 K218 I219L100-L216 HydrophobicContact CD1-CD1 3.97Å; L100-L216 HydrophobicContact CD2-CD1 4.21Å; D102-L216 WeakPolarHBondContact O-CB 3.41Å; D102-L216 PolarHBondContact OD1-N 3.31Å; F103-L216 HydrophobicContact CB-CD2 4.01Å; Q182-L216 HydrophobicContact CB-CD2 3.48Å; Q182-L216 VanDerWaalsContact CB-CD2 3.48Å; Q182-L216 HydrophobicContact CG-CD2 4.21Å; Q182-L216 VanDerWaalsContact OE1-CD2 3.27Å; L183-L216 HydrophobicContact CD2-CD1 3.53Å; L183-L216 HydrophobicContact CD2-CG 4.34Å; L183-L216 HydrophobicContact CG-CD1 4.37Å; L216-K218 PolarHBondContact O-N 3.37Å; L216-I219 PolarHBondContact O-N 3.47Å
217A91.3Very high84.6Confident84 Ų8469.1 Ų69.169%0.69437%0.366SS*.G310 helixtrans-62.1-24.4177.600000113.6E215E215-A217 PolarHBondContact O-N 2.92Å
218K91Very high85.5Confident127 Ų12759.4 Ų59.455%0.55232%0.321SS*.G310 helixtrans-86.8-8.8176.6-65.8176.9-177.3160.40112.5N190 E215 L216N190-K218 PolarHBondContact ND2-O 3.41Å; E215-K218 HydrophobicContact CB-CD 4.2Å; E215-K218 HydrophobicContact CB-CG 4.23Å; E215-K218 PolarHBondContact O-N 3.02Å; E215-K218 IonicContact OE1-NZ 3.4Å; E215-K218 PolarHBondContact OE1-NZ 2.91Å; E215-K218 WeakPolarHBondContact OE2-CE 3.43Å; E215-K218 IonicContact OE2-NZ 3.13Å; E215-K218 PolarHBondContact OE2-NZ 3.12Å; L216-K218 PolarHBondContact O-N 3.37Å
219I92Very high86.4Confident1 Ų157.7 Ų57.71%0.00531%0.312CS..  trans-96.8129.5-179.7-53177.9000109V4 L100 L183 S191 L202 F204 P214 L216V4-I219 HydrophobicContact CG2-CD1 4.23Å; L100-I219 HydrophobicContact CD2-CD1 3.38Å; L183-I219 HydrophobicContact CD2-CB 4Å; L183-I219 HydrophobicContact CD2-CG2 3.82Å; S191-I219 WeakPolarHBondContact OG-CG2 3.33Å; L202-I219 HydrophobicContact CD1-CG2 4.47Å; L202-I219 HydrophobicContact CD2-CG2 4.17Å; F204-I219 HydrophobicContact CD2-CG1 4.22Å; F204-I219 HydrophobicContact CD2-CG2 4.3Å; F204-I219 HydrophobicContact CE2-CG1 4.11Å; P214-I219 HydrophobicContact CB-CD1 4.04Å; P214-I219 HydrophobicContact CB-CG1 4.24Å; P214-I219 HydrophobicContact CG-CD1 3.87Å; L216-I219 PolarHBondContact O-N 3.47Å
220S94Very high87.1Confident20 Ų2053.8 Ų53.814%0.1429%0.289CS..EExtended strand (participates in β ladder)trans-131143.4179.361.20000111.5K184 S186 P189 N190 S191K184-S220 VanDerWaalsContact O-CA 3.3Å; K184-S220 WeakPolarHBondContact O-CA 3.49Å; S186-S220 WeakPolarHBondContact CB-OG 3.37Å; P189-S220 VanDerWaalsContact CB-O 3.27Å; P189-S220 WeakPolarHBondContact CB-O 3.42Å; N190-S220 PolarHBondContact N-O 3.06Å; N190-S220 PolarHBondContact N-OG 3.1Å; N190-S220 PolarHBondContact OD1-N 2.88Å; N190-S220 PolarHBondContact OD1-O 2.66Å; N190-S220 PolarHBondContact OD1-OG 2.63Å; S191-S220 PolarHBondContact N-O 3.07Å; S191-S220 VanDerWaalsContact N-O 3.1Å; S191-S220 PolarHBondContact OG-O 3.19Å
221I93.8Very high88Confident8 Ų847.9 Ų47.94%0.04127%0.267CS..EExtended strand (participates in β ladder)trans-119.3163.9173.360.6170.8000109.7F162 L183 K184 H185 S186 S191 I193 L202 Y223F162-I221 HydrophobicContact CE1-CD1 4.29Å; L183-I221 HydrophobicContact CB-CD1 4.12Å; L183-I221 HydrophobicContact CB-CG1 4.08Å; L183-I221 HydrophobicContact CD1-CD1 4.15Å; L183-I221 HydrophobicContact CD1-CG2 3.94Å; K184-I221 PolarHBondContact O-N 3.36Å; H185-I221 CarbonylContact C-O 3.39Å; H185-I221 VanDerWaalsContact CA-O 3.29Å; H185-I221 WeakPolarHBondContact CA-O 3.41Å; H185-I221 PolarHBondContact ND1-O 2.98Å; S186-I221 PolarHBondContact N-O 3.38Å; S191-I221 VanDerWaalsContact OG-CG2 3.27Å; S191-I221 WeakPolarHBondContact OG-CG2 3.32Å; I193-I221 HydrophobicContact CD1-CD1 3.72Å; I193-I221 HydrophobicContact CG1-CG2 4.35Å; L202-I221 HydrophobicContact CD1-CG2 3.9Å; I221-Y223 HydrophobicContact CD1-CD1 4.09Å; I221-Y223 HydrophobicContact CD1-CE1 3.94Å; I221-Y223 HydrophobicContact CG1-CD1 3.91Å; I221-Y223 HydrophobicContact CG1-CE1 3.73Å
222S92.4Very high88.4Confident31 Ų3144 Ų4422%0.21724%0.244CC..  trans-86.4135164.2-177.90000111.6L224 M226S222-L224 PolarHBondContact OG-N 3.18Å; S222-L224 PolarHBondContact OG-O 3.05Å; S222-M226 WeakPolarHBondContact CB-SD 2.86Å; S222-M226 WeakPolarHBondContact OG-CE 3.36Å
223Y93.8Very high88.9Confident56 Ų5642.5 Ų42.522%0.2223%0.231CC..SBendtrans-88.3-16.5170.5-64.7-2.8000112.2L183 H185 I221 L237 Y241 F243L183-Y223 PolarHBondContact O-OH 3.47Å; H185-Y223 HydrophobicContact CB-CD1 4.11Å; H185-Y223 HydrophobicContact CB-CD2 3.72Å; H185-Y223 HydrophobicContact CB-CE1 4.07Å; H185-Y223 HydrophobicContact CB-CE2 3.69Å; H185-Y223 HydrophobicContact CB-CG 3.93Å; H185-Y223 AromaticContact ND1-CG 3.85Å; H185-Y223 PolarHBondContact ND1-N 2.98Å; H185-Y223 VanDerWaalsContact ND1-N 3.1Å; I221-Y223 HydrophobicContact CD1-CD1 4.09Å; I221-Y223 HydrophobicContact CD1-CE1 3.94Å; I221-Y223 HydrophobicContact CG1-CD1 3.91Å; I221-Y223 HydrophobicContact CG1-CE1 3.73Å; Y223-L237 HydrophobicContact CD2-CD2 4.35Å; Y223-Y241 HydrophobicContact CD2-CD1 4.04Å; Y223-Y241 AromaticContact CD2-CD2 3.91Å; Y223-Y241 HydrophobicContact CD2-CD2 3.91Å; Y223-Y241 AromaticContact CD2-CE1 3.88Å; Y223-Y241 HydrophobicContact CD2-CE1 3.88Å; Y223-Y241 AromaticContact CD2-CE2 3.75Å; Y223-Y241 HydrophobicContact CD2-CE2 3.75Å; Y223-Y241 HydrophobicContact CD2-CG 4.06Å; Y223-Y241 AromaticContact CD2-CZ 3.73Å; Y223-Y241 HydrophobicContact CE2-CD1 4.24Å; Y223-Y241 HydrophobicContact CE2-CE1 4.28Å; Y223-Y241 HydrophobicContact CE2-CG 4.47Å; Y223-Y241 HydrophobicContact CG-CE2 4.19Å; Y223-F243 HydrophobicContact CD2-CE1 4.31Å; Y223-F243 HydrophobicContact CD2-CZ 4.47Å; Y223-F243 HydrophobicContact CE2-CE1 4.21Å; Y223-F243 HydrophobicContact CE2-CZ 4.46Å
224L88.8Confident89.3Confident27 Ų2739.3 Ų39.314%0.14122%0.215CC..SBendtrans-114.3157.3-174.1-59.9-174.9000111.2S222 M226 R233 A236 L237S222-L224 PolarHBondContact OG-N 3.18Å; S222-L224 PolarHBondContact OG-O 3.05Å; L224-M226 PolarHBondContact O-N 3.41Å; L224-R233 HydrophobicContact CD1-CB 4.23Å; L224-R233 HydrophobicContact CD1-CG 4.47Å; L224-R233 WeakPolarHBondContact CD1-O 3.33Å; L224-A236 HydrophobicContact CD1-CB 3.78Å; L224-A236 HydrophobicContact CD2-CB 4.01Å; L224-L237 HydrophobicContact CD1-CD1 4.4Å; L224-L237 HydrophobicContact CD1-CD2 3.88Å; L224-L237 HydrophobicContact CD1-CG 3.68Å; L224-L237 HydrophobicContact CD2-CD2 4.18Å; L224-L237 HydrophobicContact CG-CD2 3.78Å; L224-L237 HydrophobicContact CG-CG 4.17Å
225P80.8Confident89.5Confident108 Ų10844.7 Ų44.770%0.70123%0.233SC*.  trans-52136.6156.7-20.133000109.2I227P225-I227 PolarHBondContact O-N 3.01Å
226M77.9Confident89.6Confident20 Ų2043.7 Ų43.710%0.09924%0.235CC..SBendtrans-82.2-3-169.1-60.2-92.363.300114.7P189 S222 L224 R249 M385P189-M226 HydrophobicContact CG-SD 4.08Å; S222-M226 WeakPolarHBondContact CB-SD 2.86Å; S222-M226 WeakPolarHBondContact OG-CE 3.36Å; L224-M226 PolarHBondContact O-N 3.41Å; M226-R249 PolarHBondContact O-NH1 3.47Å; M226-R249 PolarHBondContact O-NH2 3.06Å; M226-M385 HydrophobicContact CB-CE 3.2Å; M226-M385 HydrophobicContact CB-SD 3.28Å; M226-M385 WeakPolarHBondContact CB-SD 3.29Å; M226-M385 HydrophobicContact CG-CE 4.24Å; M226-M385 HydrophobicContact CG-SD 3.71Å; M226-M385 HydrophobicContact SD-SD 3.87Å
227I81.9Confident89.8Confident46 Ų4643 Ų4324%0.23623%0.231CC..  trans-94.3110177.5-56.7167.8000108.2P225 V348 I351 R352 L381 L391P225-I227 PolarHBondContact O-N 3.01Å; I227-V348 HydrophobicContact CG2-CG2 3.47Å; I227-V348 VanDerWaalsContact CG2-CG2 3.47Å; I227-I351 HydrophobicContact CD1-CG2 4.04Å; I227-I351 HydrophobicContact CG2-CG2 4.29Å; I227-R352 PolarHBondContact O-NH2 3.36Å; I227-L381 HydrophobicContact CD1-CD2 3.81Å; I227-L381 HydrophobicContact CG1-CD2 3.83Å; I227-L391 HydrophobicContact CD1-CD2 4.27Å
228G82.7Confident90Very high1 Ų143 Ų431%0.0122%0.217CC..SBendtrans167.4152.4178.400000108.9R233G228-R233 PolarHBondContact O-NH1 3.08Å
229D86.1Confident90Very high3 Ų342.5 Ų42.52%0.01622%0.215CC..  trans-75.6177.4173.265.335.1000111.5A231 E232 R233 E259 N278D229-A231 PolarHBondContact O-N 2.82Å; D229-A231 PolarHBondContact OD1-N 2.88Å; D229-E232 VanDerWaalsContact OD1-CB 3.26Å; D229-E232 WeakPolarHBondContact OD1-CB 3.4Å; D229-E232 PolarHBondContact OD1-N 3.47Å; D229-R233 VanDerWaalsContact C-NH1 3.29Å; D229-R233 WeakPolarHBondContact O-CB 3.36Å; D229-R233 VanDerWaalsContact O-CG 3.24Å; D229-R233 WeakPolarHBondContact O-CG 3.25Å; D229-R233 PolarHBondContact O-N 3.26Å; D229-R233 PolarHBondContact O-NH1 3.05Å; D229-E259 HydrophobicContact CB-CB 4.27Å; D229-N278 PolarHBondContact OD2-ND2 3.25Å; D229-N278 PolarHBondContact OD2-OD1 2.93Å
230R91Very high90Very high33 Ų3345.7 Ų45.713%0.12523%0.227CC..Hα-helixtrans-60-44.6179.7-177.9-168.8-65.5-170.2-11.8112.8R233 R234 C250 N252 D253 N256R230-R233 PolarHBondContact O-N 3.04Å; R230-R234 WeakPolarHBondContact O-CB 3.46Å; R230-R234 WeakPolarHBondContact O-CG 3.43Å; R230-R234 PolarHBondContact O-N 2.85Å; R230-C250 WeakPolarHBondContact CD-O 3.47Å; R230-C250 HydrophobicContact CG-CB 4.49Å; R230-C250 PolarHBondContact NE-O 3.42Å; R230-C250 PolarHBondContact NH2-O 3.21Å; R230-N252 PolarHBondContact NH2-O 2.81Å; R230-D253 IonicContact CZ-OD1 2.76Å; R230-D253 IonicContact NH1-OD1 3.29Å; R230-D253 PolarHBondContact NH1-OD1 3.1Å; R230-D253 VanDerWaalsContact NH2-CA 3.32Å; R230-D253 VanDerWaalsContact NH2-N 3.2Å; R230-D253 IonicContact NH2-OD1 3.7Å; R230-D253 PolarHBondContact NH2-OD1 3.26Å; R230-N256 HydrophobicContact CB-CB 4.47Å; R230-N256 WeakPolarHBondContact CB-OD1 3.42Å; R230-N256 PolarHBondContact N-OD1 2.99Å
231A89.8Confident90.1Very high33 Ų3345.8 Ų45.827%0.27322%0.224SC..Hα-helixtrans-64.4-46.6-175.700000110.8D229 R234 R235D229-A231 PolarHBondContact O-N 2.82Å; D229-A231 PolarHBondContact OD1-N 2.88Å; A231-R234 PolarHBondContact O-N 2.88Å; A231-R235 VanDerWaalsContact O-CB 3.27Å; A231-R235 WeakPolarHBondContact O-CB 3.41Å; A231-R235 PolarHBondContact O-N 3.45Å
232E88.5Confident90.1Very high59 Ų5947.1 Ų47.128%0.27623%0.229SC..Hα-helixtrans-62.8-47177-172.7-174.8163.200111.8D229 R234 R235 A236 N278 R352D229-E232 VanDerWaalsContact OD1-CB 3.26Å; D229-E232 WeakPolarHBondContact OD1-CB 3.4Å; D229-E232 PolarHBondContact OD1-N 3.47Å; E232-R234 PolarHBondContact O-N 3.3Å; E232-R235 PolarHBondContact O-N 3Å; E232-A236 WeakPolarHBondContact O-CB 3.39Å; E232-A236 PolarHBondContact O-N 3.33Å; E232-N278 PolarHBondContact OE2-ND2 3.34Å; E232-R352 IonicContact OE1-CZ 2.71Å; E232-R352 IonicContact OE1-NH1 3.56Å; E232-R352 IonicContact OE1-NH2 3.52Å; E232-R352 PolarHBondContact OE1-NH2 2.99Å; E232-R352 IonicContact OE2-CZ 2.64Å; E232-R352 IonicContact OE2-NH1 2.68Å; E232-R352 PolarHBondContact OE2-NH1 3.14Å; E232-R352 IonicContact OE2-NH2 3.57Å; E232-R352 PolarHBondContact OE2-NH2 3.3Å
233R92.3Very high90.3Very high4 Ų448.7 Ų48.72%0.01523%0.232CC..Hα-helixtrans-59.6-47.1177.4-71.2-172.1-45.3-96.92.4111C187 L224 G228 D229 R230 A236 L237 E259C187-R233 PolarHBondContact SG-NE 3.22Å; L224-R233 HydrophobicContact CD1-CB 4.23Å; L224-R233 HydrophobicContact CD1-CG 4.47Å; L224-R233 WeakPolarHBondContact CD1-O 3.33Å; G228-R233 PolarHBondContact O-NH1 3.08Å; D229-R233 VanDerWaalsContact C-NH1 3.29Å; D229-R233 WeakPolarHBondContact O-CB 3.36Å; D229-R233 VanDerWaalsContact O-CG 3.24Å; D229-R233 WeakPolarHBondContact O-CG 3.25Å; D229-R233 PolarHBondContact O-N 3.26Å; D229-R233 PolarHBondContact O-NH1 3.05Å; R230-R233 PolarHBondContact O-N 3.04Å; R233-A236 PolarHBondContact O-N 3.29Å; R233-L237 VanDerWaalsContact O-CG 3.3Å; R233-L237 WeakPolarHBondContact O-CG 3.3Å; R233-L237 PolarHBondContact O-N 3.34Å; R233-E259 IonicContact CZ-OE2 2.88Å; R233-E259 IonicContact NH1-OE1 3.64Å; R233-E259 IonicContact NH1-OE2 3.13Å; R233-E259 PolarHBondContact NH1-OE2 2.63Å; R233-E259 IonicContact NH2-OE2 4Å
234R95Very high90.4Very high65 Ų6549.6 Ų49.625%0.24524%0.243CC..Hα-helixtrans-63.1-43.4178-76.4179170162.22.3111.8R230 A231 E232 A236 L237 Q238 T244 C245 C250R230-R234 WeakPolarHBondContact O-CB 3.46Å; R230-R234 WeakPolarHBondContact O-CG 3.43Å; R230-R234 PolarHBondContact O-N 2.85Å; A231-R234 PolarHBondContact O-N 2.88Å; E232-R234 PolarHBondContact O-N 3.3Å; R234-A236 PolarHBondContact O-N 3.42Å; R234-L237 PolarHBondContact O-N 3.24Å; R234-Q238 WeakPolarHBondContact O-CB 3.49Å; R234-Q238 PolarHBondContact O-N 3.32Å; R234-T244 HydrophobicContact CG-CG2 4.18Å; R234-C245 PolarHBondContact NE-O 2.88Å; R234-C245 VanDerWaalsContact NE-O 3.09Å; R234-C245 PolarHBondContact NH2-O 3.49Å; R234-C250 PolarHBondContact NH2-O 3.41Å
235R93.9Very high90.8Very high137 Ų13748.5 Ų48.552%0.51724%0.238SC..Hα-helixtrans-59.4-45.5176.1-169-174.9-60.3149.10111.7A231 E232 K239 E277A231-R235 VanDerWaalsContact O-CB 3.27Å; A231-R235 WeakPolarHBondContact O-CB 3.41Å; A231-R235 PolarHBondContact O-N 3.45Å; E232-R235 PolarHBondContact O-N 3Å; R235-K239 WeakPolarHBondContact O-CB 3.44Å; R235-K239 PolarHBondContact O-N 3.11Å; R235-E277 IonicContact NH2-OE2 3.37Å; R235-E277 PolarHBondContact NH2-OE2 3.41Å
236A92.2Very high91.6Very high41 Ų4150.8 Ų50.834%0.33924%0.239SC..Hα-helixtrans-67.2-39.2178.800000112.9L224 E232 R233 R234 R240L224-A236 HydrophobicContact CD1-CB 3.78Å; L224-A236 HydrophobicContact CD2-CB 4.01Å; E232-A236 WeakPolarHBondContact O-CB 3.39Å; E232-A236 PolarHBondContact O-N 3.33Å; R233-A236 PolarHBondContact O-N 3.29Å; R234-A236 PolarHBondContact O-N 3.42Å; A236-R240 WeakPolarHBondContact O-CB 3.47Å; A236-R240 PolarHBondContact O-N 3.5Å
237L95.8Very high92.4Very high0 Ų050.8 Ų50.80%024%0.241CC..Hα-helixtrans-67.4-45174.6-69.5170000112H185 Y223 L224 R233 R234 K239 R240 Y241 Y242 F243 C245H185-L237 WeakPolarHBondContact CD2-CD1 3.46Å; H185-L237 WeakPolarHBondContact NE2-CD1 3.13Å; Y223-L237 HydrophobicContact CD2-CD2 4.35Å; L224-L237 HydrophobicContact CD1-CD1 4.4Å; L224-L237 HydrophobicContact CD1-CD2 3.88Å; L224-L237 HydrophobicContact CD1-CG 3.68Å; L224-L237 HydrophobicContact CD2-CD2 4.18Å; L224-L237 HydrophobicContact CG-CD2 3.78Å; L224-L237 HydrophobicContact CG-CG 4.17Å; R233-L237 VanDerWaalsContact O-CG 3.3Å; R233-L237 WeakPolarHBondContact O-CG 3.3Å; R233-L237 PolarHBondContact O-N 3.34Å; R234-L237 PolarHBondContact O-N 3.24Å; L237-K239 VanDerWaalsContact C-N 3.35Å; L237-K239 PolarHBondContact O-N 3.43Å; L237-R240 PolarHBondContact O-N 2.77Å; L237-Y241 HydrophobicContact CD2-CD2 3.98Å; L237-Y241 HydrophobicContact CD2-CE2 4.4Å; L237-Y241 CarbonylContact O-C 3.53Å; L237-Y241 WeakPolarHBondContact O-CA 3.22Å; L237-Y241 WeakPolarHBondContact O-CB 3.43Å; L237-Y241 PolarHBondContact O-N 3.48Å; L237-Y242 PolarHBondContact O-N 3.32Å; L237-F243 CarbonylContact C-O 3.59Å; L237-F243 HydrophobicContact CB-CE1 4.34Å; L237-F243 HydrophobicContact CB-CE2 4.47Å; L237-F243 HydrophobicContact CB-CZ 4.16Å; L237-F243 HydrophobicContact CD1-CE2 3.97Å; L237-F243 HydrophobicContact CD1-CZ 3.91Å; L237-F243 HydrophobicContact CD2-CE1 4.07Å; L237-F243 HydrophobicContact CD2-CZ 3.69Å; L237-F243 HydrophobicContact CG-CZ 4.11Å; L237-C245 HydrophobicContact CD1-CB 3.48Å; L237-C245 VanDerWaalsContact CD1-CB 3.48Å
238Q95.3Very high92.9Very high83 Ų8354.6 Ų54.639%0.38826%0.261SS..Hα-helixtrans-61.2-45.2177.9-173.262.333.400110.9R234 R240 Y242 F243 T244R234-Q238 WeakPolarHBondContact O-CB 3.49Å; R234-Q238 PolarHBondContact O-N 3.32Å; Q238-R240 VanDerWaalsContact C-N 3.34Å; Q238-R240 PolarHBondContact O-N 3.1Å; Q238-Y242 VanDerWaalsContact O-CA 3.24Å; Q238-Y242 WeakPolarHBondContact O-CA 3.43Å; Q238-Y242 PolarHBondContact O-N 3.04Å; Q238-F243 PolarHBondContact N-O 3.31Å; Q238-F243 PolarHBondContact OE1-O 2.67Å; Q238-T244 PolarHBondContact OE1-OG1 3.34Å
239K92.5Very high93.4Very high116 Ų11655.3 Ų55.350%0.50426%0.263SS..Hα-helixtrans-62.4-37.1179-178.2169.8-177.2168.90113.2E123 R235 L237E123-K239 IonicContact OE1-NZ 3.7Å; E123-K239 PolarHBondContact OE1-NZ 3.29Å; E123-K239 WeakPolarHBondContact OE2-CE 3.07Å; E123-K239 IonicContact OE2-NZ 3.69Å; E123-K239 PolarHBondContact OE2-NZ 2.97Å; R235-K239 WeakPolarHBondContact O-CB 3.44Å; R235-K239 PolarHBondContact O-N 3.11Å; L237-K239 VanDerWaalsContact C-N 3.35Å; L237-K239 PolarHBondContact O-N 3.43Å
240R91.9Very high93.7Very high69 Ų6955.1 Ų55.126%0.2626%0.262SS..Hα-helixtrans-98.4-34.5-172.7-176.2169.6177.1-176.4-4.1114.2V161 A236 L237 Q238V161-R240 PolarHBondContact O-NH2 3.02Å; A236-R240 WeakPolarHBondContact O-CB 3.47Å; A236-R240 PolarHBondContact O-N 3.5Å; L237-R240 PolarHBondContact O-N 2.77Å; Q238-R240 VanDerWaalsContact C-N 3.34Å; Q238-R240 PolarHBondContact O-N 3.1Å
241Y94.8Very high93.9Very high21 Ų2159 Ų598%0.08228%0.283CS..Hα-helixtrans-127.2-0.7-168.3-58.2-79.5000113.2R159 Y223 L237 F243R159-Y241 HydrophobicContact CG-CD1 4.38Å; R159-Y241 WeakPolarHBondContact O-CE1 3.46Å; Y223-Y241 HydrophobicContact CD2-CD1 4.04Å; Y223-Y241 AromaticContact CD2-CD2 3.91Å; Y223-Y241 HydrophobicContact CD2-CD2 3.91Å; Y223-Y241 AromaticContact CD2-CE1 3.88Å; Y223-Y241 HydrophobicContact CD2-CE1 3.88Å; Y223-Y241 AromaticContact CD2-CE2 3.75Å; Y223-Y241 HydrophobicContact CD2-CE2 3.75Å; Y223-Y241 HydrophobicContact CD2-CG 4.06Å; Y223-Y241 AromaticContact CD2-CZ 3.73Å; Y223-Y241 HydrophobicContact CE2-CD1 4.24Å; Y223-Y241 HydrophobicContact CE2-CE1 4.28Å; Y223-Y241 HydrophobicContact CE2-CG 4.47Å; Y223-Y241 HydrophobicContact CG-CE2 4.19Å; L237-Y241 HydrophobicContact CD2-CD2 3.98Å; L237-Y241 HydrophobicContact CD2-CE2 4.4Å; L237-Y241 CarbonylContact O-C 3.53Å; L237-Y241 WeakPolarHBondContact O-CA 3.22Å; L237-Y241 WeakPolarHBondContact O-CB 3.43Å; L237-Y241 PolarHBondContact O-N 3.48Å; Y241-F243 VanDerWaalsContact C-N 3.3Å; Y241-F243 VanDerWaalsContact CB-CE1 3.46Å; Y241-F243 HydrophobicContact CD2-CE1 4.46Å; Y241-F243 HydrophobicContact CG-CE1 4.13Å; Y241-F243 PolarHBondContact O-N 3.13Å
242Y95.5Very high94Very high36 Ų3661 Ų6114%0.14129%0.289CS..SBendtrans59.932.2173.4-43.8-73.7000115.2C114 E117 M118 R124 L237 Q238C114-Y242 HydrophobicContact CB-CD2 3.7Å; C114-Y242 HydrophobicContact CB-CE2 4Å; E117-Y242 HydrophobicContact CB-CD1 3.77Å; E117-Y242 HydrophobicContact CB-CD2 3.8Å; E117-Y242 HydrophobicContact CB-CE1 4.17Å; E117-Y242 HydrophobicContact CB-CE2 4.19Å; E117-Y242 HydrophobicContact CB-CG 3.57Å; E117-Y242 HydrophobicContact CG-CD2 4.47Å; E117-Y242 HydrophobicContact CG-CG 4.05Å; M118-Y242 HydrophobicContact CE-CE2 3.97Å; M118-Y242 HydrophobicContact CG-CE2 3.7Å; M118-Y242 WeakPolarHBondContact CG-OH 3.37Å; R124-Y242 WeakPolarHBondContact CG-OH 3.43Å; L237-Y242 PolarHBondContact O-N 3.32Å; Q238-Y242 VanDerWaalsContact O-CA 3.24Å; Q238-Y242 WeakPolarHBondContact O-CA 3.43Å; Q238-Y242 PolarHBondContact O-N 3.04Å
243F95.6Very high94.2Very high64 Ų6463 Ų6328%0.28130%0.302SS..  trans-137.6157.4173.678.7-87.1000112.3H185 Y223 L237 Q238 Y241 C245H185-F243 HydrophobicContact CB-CE2 4.3Å; H185-F243 HydrophobicContact CB-CZ 3.64Å; H185-F243 AromaticContact CD2-CZ 3.9Å; H185-F243 AromaticContact CG-CZ 3.99Å; Y223-F243 HydrophobicContact CD2-CE1 4.31Å; Y223-F243 HydrophobicContact CD2-CZ 4.47Å; Y223-F243 HydrophobicContact CE2-CE1 4.21Å; Y223-F243 HydrophobicContact CE2-CZ 4.46Å; L237-F243 CarbonylContact C-O 3.59Å; L237-F243 HydrophobicContact CB-CE1 4.34Å; L237-F243 HydrophobicContact CB-CE2 4.47Å; L237-F243 HydrophobicContact CB-CZ 4.16Å; L237-F243 HydrophobicContact CD1-CE2 3.97Å; L237-F243 HydrophobicContact CD1-CZ 3.91Å; L237-F243 HydrophobicContact CD2-CE1 4.07Å; L237-F243 HydrophobicContact CD2-CZ 3.69Å; L237-F243 HydrophobicContact CG-CZ 4.11Å; Q238-F243 PolarHBondContact N-O 3.31Å; Q238-F243 PolarHBondContact OE1-O 2.67Å; Y241-F243 VanDerWaalsContact C-N 3.3Å; Y241-F243 VanDerWaalsContact CB-CE1 3.46Å; Y241-F243 HydrophobicContact CD2-CE1 4.46Å; Y241-F243 HydrophobicContact CG-CE1 4.13Å; Y241-F243 PolarHBondContact O-N 3.13Å; F243-C245 HydrophobicContact CE2-CB 4.11Å
244T97Very high94Very high75 Ų7564.9 Ų64.946%0.4632%0.322SS..  trans-103.4123.9174.2-65.20000110.3R234 Q238R234-T244 HydrophobicContact CG-CG2 4.18Å; Q238-T244 PolarHBondContact OE1-OG1 3.34Å
245C96.9Very high93.5Very high5 Ų563.4 Ų63.43%0.03432%0.318CS..  trans-75.7134.7-178.1-175.60000113R234 L237 F243 C247 C250R234-C245 PolarHBondContact NE-O 2.88Å; R234-C245 VanDerWaalsContact NE-O 3.09Å; R234-C245 PolarHBondContact NH2-O 3.49Å; L237-C245 HydrophobicContact CD1-CB 3.48Å; L237-C245 VanDerWaalsContact CD1-CB 3.48Å; F243-C245 HydrophobicContact CE2-CB 4.11Å; C245-C247 PolarHBondContact SG-N 2.88Å; C245-C247 PolarHBondContact SG-SG 3.34Å; C245-C250 WeakPolarHBondContact O-CB 3.31Å
246Q96.8Very high93.3Very high155 Ų15557.3 Ų57.372%0.72430%0.296SS*.  trans-122.523.7178.1-60.9178.5-8.700112.5M251Q246-M251 HydrophobicContact CB-CG 4.49Å; Q246-M251 HydrophobicContact CB-SD 4.17Å; Q246-M251 VanDerWaalsContact O-CG 3.23Å; Q246-M251 WeakPolarHBondContact O-CG 3.48Å
247C94.6Very high93Very high21 Ų2156.6 Ų56.614%0.14229%0.289CS..SBendtrans-66.9166.8176.8760000112.2S186 C187 C245 R249 C250 M251S186-C247 WeakPolarHBondContact OG-CB 3.49Å; C187-C247 VanDerWaalsContact CB-SG 3.55Å; C187-C247 PolarHBondContact N-SG 2.88Å; C245-C247 PolarHBondContact SG-N 2.88Å; C245-C247 PolarHBondContact SG-SG 3.34Å; C247-R249 VanDerWaalsContact C-N 3.26Å; C247-R249 PolarHBondContact O-N 3.47Å; C247-R249 VanDerWaalsContact O-N 3.1Å; C247-C250 CarbonylContact O-C 3.41Å; C247-C250 WeakPolarHBondContact O-CA 3.45Å; C247-C250 PolarHBondContact O-N 3.11Å; C247-M251 WeakPolarHBondContact O-CG 3.33Å; C247-M251 PolarHBondContact O-N 3.22Å
248I93.2Very high92.4Very high125 Ų12560.4 Ų60.464%0.64131%0.308SS*.Hα-helixtrans-48.4-42.5-178.6-167.3168.5000113.7M251 N252I248-M251 PolarHBondContact O-N 2.9Å; I248-N252 VanDerWaalsContact O-CB 3.26Å; I248-N252 WeakPolarHBondContact O-CB 3.47Å; I248-N252 PolarHBondContact O-N 3.12Å
249R92.1Very high92Very high16 Ų1656.5 Ų56.56%0.0629%0.29CS..Hα-helixtrans-67.9-37.3177.8-177176.8176.3-165.80.8113C187 M226 C247 M251 Q255 E259C187-R249 HydrophobicContact CB-CB 4.15Å; C187-R249 HydrophobicContact CB-CG 4.35Å; C187-R249 VanDerWaalsContact O-CD 3.23Å; C187-R249 WeakPolarHBondContact O-CD 3.28Å; C187-R249 PolarHBondContact O-NH1 2.88Å; M226-R249 PolarHBondContact O-NH1 3.47Å; M226-R249 PolarHBondContact O-NH2 3.06Å; C247-R249 VanDerWaalsContact C-N 3.26Å; C247-R249 PolarHBondContact O-N 3.47Å; C247-R249 VanDerWaalsContact O-N 3.1Å; R249-M251 VanDerWaalsContact C-N 3.29Å; R249-Q255 HydrophobicContact CG-CG 4Å; R249-E259 IonicContact CZ-OE1 2.67Å; R249-E259 IonicContact NE-OE1 3.83Å; R249-E259 PolarHBondContact NE-OE1 2.93Å; R249-E259 IonicContact NH2-OE1 3.05Å; R249-E259 PolarHBondContact NH2-OE1 3.11Å
250C93.5Very high91.6Very high0 Ų051.1 Ų51.10%027%0.267CS..Hα-helixtrans-78.3-14.7177.2-74.60000113.4C187 R230 R234 C245 C247C187-C250 PolarHBondContact SG-SG 3.06Å; R230-C250 WeakPolarHBondContact CD-O 3.47Å; R230-C250 HydrophobicContact CG-CB 4.49Å; R230-C250 PolarHBondContact NE-O 3.42Å; R230-C250 PolarHBondContact NH2-O 3.21Å; R234-C250 PolarHBondContact NH2-O 3.41Å; C245-C250 WeakPolarHBondContact O-CB 3.31Å; C247-C250 CarbonylContact O-C 3.41Å; C247-C250 WeakPolarHBondContact O-CA 3.45Å; C247-C250 PolarHBondContact O-N 3.11Å
251M95.2Very high91.2Very high115 Ų11547.9 Ų47.957%0.56726%0.255SS*.Hα-helixtrans-102.2-3.8176.7-60-55.5-65.500112.9Q246 C247 I248 R249Q246-M251 HydrophobicContact CB-CG 4.49Å; Q246-M251 HydrophobicContact CB-SD 4.17Å; Q246-M251 VanDerWaalsContact O-CG 3.23Å; Q246-M251 WeakPolarHBondContact O-CG 3.48Å; C247-M251 WeakPolarHBondContact O-CG 3.33Å; C247-M251 PolarHBondContact O-N 3.22Å; I248-M251 PolarHBondContact O-N 2.9Å; R249-M251 VanDerWaalsContact C-N 3.29Å
252N92.4Very high90.4Very high74 Ų7446.9 Ų46.940%0.39625%0.251SS..  trans-95.8107.9178.9-177.5-25.6000110.3R230 I248 G254 Q255 N256R230-N252 PolarHBondContact NH2-O 2.81Å; I248-N252 VanDerWaalsContact O-CB 3.26Å; I248-N252 WeakPolarHBondContact O-CB 3.47Å; I248-N252 PolarHBondContact O-N 3.12Å; N252-G254 WeakPolarHBondContact OD1-CA 3.33Å; N252-G254 PolarHBondContact OD1-N 2.86Å; N252-Q255 HydrophobicContact CB-CB 3.95Å; N252-Q255 PolarHBondContact O-N 2.78Å; N252-Q255 PolarHBondContact OD1-N 2.72Å; N252-N256 PolarHBondContact O-N 2.68Å
253D90.9Very high89.5Confident101 Ų10146.6 Ų46.654%0.5425%0.253SS..Hα-helixtrans-69.8-36.2-179-63.9-27.1000112.4R230 Q255 N256 S257R230-D253 IonicContact CZ-OD1 2.76Å; R230-D253 IonicContact NH1-OD1 3.29Å; R230-D253 PolarHBondContact NH1-OD1 3.1Å; R230-D253 VanDerWaalsContact NH2-CA 3.32Å; R230-D253 VanDerWaalsContact NH2-N 3.2Å; R230-D253 IonicContact NH2-OD1 3.7Å; R230-D253 PolarHBondContact NH2-OD1 3.26Å; D253-Q255 VanDerWaalsContact C-N 3.32Å; D253-Q255 PolarHBondContact O-N 2.84Å; D253-N256 PolarHBondContact O-N 2.95Å; D253-N256 VanDerWaalsContact O-N 3.12Å; D253-S257 PolarHBondContact O-N 3.48Å
254G88.1Confident88.2Confident43 Ų4343.7 Ų43.744%0.44324%0.241SC..Hα-helixtrans-60.1-42174.400000112.4N252 N256 S257 L258N252-G254 WeakPolarHBondContact OD1-CA 3.33Å; N252-G254 PolarHBondContact OD1-N 2.86Å; G254-N256 PolarHBondContact O-N 3.45Å; G254-S257 PolarHBondContact O-N 3.04Å; G254-L258 WeakPolarHBondContact O-CG 3.41Å; G254-L258 PolarHBondContact O-N 3.13Å
255Q86Confident86.7Confident34 Ų3442.9 Ų42.916%0.15924%0.237CC..Hα-helixtrans-65.6-37.3175.2-175.459.841.600112.3R249 N252 D253 L258 E259R249-Q255 HydrophobicContact CG-CG 4Å; N252-Q255 HydrophobicContact CB-CB 3.95Å; N252-Q255 PolarHBondContact O-N 2.78Å; N252-Q255 PolarHBondContact OD1-N 2.72Å; D253-Q255 VanDerWaalsContact C-N 3.32Å; D253-Q255 PolarHBondContact O-N 2.84Å; Q255-L258 PolarHBondContact O-N 3.05Å; Q255-E259 PolarHBondContact NE2-OE1 2.93Å; Q255-E259 WeakPolarHBondContact O-CG 3.45Å; Q255-E259 PolarHBondContact O-N 3.29Å
256N88.3Confident85.2Confident9 Ų946.7 Ų46.75%0.04826%0.26CS..Hα-helixtrans-67.7-40.3176.1-171.663.1000111.9R230 N252 D253 G254 L258 E259 S260 E275R230-N256 HydrophobicContact CB-CB 4.47Å; R230-N256 WeakPolarHBondContact CB-OD1 3.42Å; R230-N256 PolarHBondContact N-OD1 2.99Å; N252-N256 PolarHBondContact O-N 2.68Å; D253-N256 PolarHBondContact O-N 2.95Å; D253-N256 VanDerWaalsContact O-N 3.12Å; G254-N256 PolarHBondContact O-N 3.45Å; N256-L258 PolarHBondContact O-N 2.96Å; N256-E259 WeakPolarHBondContact O-CB 3.36Å; N256-E259 PolarHBondContact O-N 3.33Å; N256-S260 PolarHBondContact O-N 3.31Å; N256-S260 PolarHBondContact O-OG 2.97Å; N256-E275 PolarHBondContact ND2-OE1 3.01Å; N256-E275 PolarHBondContact ND2-OE2 3.04Å
257S86.3Confident83.8Confident27 Ų2741.8 Ų41.819%0.18925%0.251CS..Hα-helixtrans-59.1-46.8174.5-174.90000110.7D253 G254 E259 S260 S261D253-S257 PolarHBondContact O-N 3.48Å; G254-S257 PolarHBondContact O-N 3.04Å; S257-E259 PolarHBondContact O-N 3.03Å; S257-E259 VanDerWaalsContact O-N 3.13Å; S257-S260 PolarHBondContact O-N 3.49Å; S257-S261 VanDerWaalsContact CA-OG 3.22Å; S257-S261 WeakPolarHBondContact CA-OG 3.21Å; S257-S261 WeakPolarHBondContact CB-OG 3.26Å; S257-S261 WeakPolarHBondContact O-CA 3.29Å; S257-S261 WeakPolarHBondContact O-CB 3.3Å; S257-S261 PolarHBondContact O-N 3.27Å; S257-S261 PolarHBondContact O-OG 3.19Å; S257-S261 VanDerWaalsContact O-OG 3.12Å; S257-S261 WeakPolarHBondContact OG-CB 3.18Å; S257-S261 PolarHBondContact OG-OG 3.35Å
258L83.7Confident82.5Confident79 Ų7944.6 Ų44.641%0.41427%0.271SS..Hα-helixtrans-59-29174.8-68.5174.4000113.9G254 Q255 N256 T346 Y384G254-L258 WeakPolarHBondContact O-CG 3.41Å; G254-L258 PolarHBondContact O-N 3.13Å; Q255-L258 PolarHBondContact O-N 3.05Å; N256-L258 PolarHBondContact O-N 2.96Å; L258-T346 PolarHBondContact O-OG1 2.83Å; L258-Y384 PolarHBondContact O-OH 2.89Å
259E86Confident81.2Confident1 Ų139.3 Ų39.31%0.00525%0.245CC..Hα-helixtrans-83.1-32.4-177.6-73.7168.1177.900113.8D229 R233 R249 Q255 N256 S257 V348 Y384D229-E259 HydrophobicContact CB-CB 4.27Å; R233-E259 IonicContact CZ-OE2 2.88Å; R233-E259 IonicContact NH1-OE1 3.64Å; R233-E259 IonicContact NH1-OE2 3.13Å; R233-E259 PolarHBondContact NH1-OE2 2.63Å; R233-E259 IonicContact NH2-OE2 4Å; R249-E259 IonicContact CZ-OE1 2.67Å; R249-E259 IonicContact NE-OE1 3.83Å; R249-E259 PolarHBondContact NE-OE1 2.93Å; R249-E259 IonicContact NH2-OE1 3.05Å; R249-E259 PolarHBondContact NH2-OE1 3.11Å; Q255-E259 PolarHBondContact NE2-OE1 2.93Å; Q255-E259 WeakPolarHBondContact O-CG 3.45Å; Q255-E259 PolarHBondContact O-N 3.29Å; N256-E259 WeakPolarHBondContact O-CB 3.36Å; N256-E259 PolarHBondContact O-N 3.33Å; S257-E259 PolarHBondContact O-N 3.03Å; S257-E259 VanDerWaalsContact O-N 3.13Å; E259-V348 WeakPolarHBondContact O-CB 3.35Å; E259-V348 WeakPolarHBondContact O-CG1 3.44Å; E259-V348 PolarHBondContact O-N 3.43Å; E259-Y384 WeakPolarHBondContact CA-OH 3.28Å; E259-Y384 HydrophobicContact CB-CE1 4.13Å; E259-Y384 HydrophobicContact CG-CD1 3.74Å; E259-Y384 HydrophobicContact CG-CE1 3.19Å
260S84.9Confident80.1Confident4 Ų450.4 Ų50.43%0.02829%0.287CS..Hα-helixtrans-134.9-8-16462.70000115.4N256 S257 V276 H347N256-S260 PolarHBondContact O-N 3.31Å; N256-S260 PolarHBondContact O-OG 2.97Å; S257-S260 PolarHBondContact O-N 3.49Å; S260-V276 PolarHBondContact O-N 3.37Å; S260-H347 VanDerWaalsContact C-CD2 3.42Å; S260-H347 WeakPolarHBondContact CA-NE2 3.43Å; S260-H347 PolarHBondContact O-NE2 3.46Å
261S82.9Confident78.7Confident1 Ų152.3 Ų52.31%0.00731%0.306CS..EExtended strand (participates in β ladder)trans-79.1146.2-177.5-670000113.3S257 F274 L344 H347S257-S261 VanDerWaalsContact CA-OG 3.22Å; S257-S261 WeakPolarHBondContact CA-OG 3.21Å; S257-S261 WeakPolarHBondContact CB-OG 3.26Å; S257-S261 WeakPolarHBondContact O-CA 3.29Å; S257-S261 WeakPolarHBondContact O-CB 3.3Å; S257-S261 PolarHBondContact O-N 3.27Å; S257-S261 PolarHBondContact O-OG 3.19Å; S257-S261 VanDerWaalsContact O-OG 3.12Å; S257-S261 WeakPolarHBondContact OG-CB 3.18Å; S257-S261 PolarHBondContact OG-OG 3.35Å; S261-F274 CarbonylContact C-O 3.57Å; S261-F274 VanDerWaalsContact CA-O 3.3Å; S261-F274 WeakPolarHBondContact CA-O 3.45Å; S261-L344 WeakPolarHBondContact O-CG 3.27Å; S261-L344 PolarHBondContact O-N 2.97Å; S261-H347 PolarHBondContact O-CD2 2.92Å
262C77.8Confident77.5Confident0 Ų049.6 Ų49.60%029%0.292CS..EExtended strand (participates in β ladder)trans-120.3151.1174.3-61.30000109.7E273 F274 V276 T342 L343C262-E273 CarbonylContact O-C 3.53Å; C262-E273 VanDerWaalsContact O-CA 3.24Å; C262-E273 WeakPolarHBondContact O-CA 3.35Å; C262-F274 PolarHBondContact N-O 2.65Å; C262-F274 PolarHBondContact O-N 2.77Å; C262-V276 HydrophobicContact CB-CG2 3.81Å; C262-V276 WeakPolarHBondContact SG-CG2 3.2Å; C262-T342 CarbonylContact C-O 3.6Å; C262-T342 VanDerWaalsContact C-O 3.3Å; C262-T342 WeakPolarHBondContact CA-O 3.43Å; C262-T342 HydrophobicContact CB-CG2 3.93Å; C262-T342 WeakPolarHBondContact CB-O 3.39Å; C262-L343 WeakPolarHBondContact SG-CD2 3.41Å
263T76.6Confident76.7Confident29 Ų2950.6 Ų50.618%0.17829%0.294CS..EExtended strand (participates in β ladder)trans-82160.5163.452.50000110.2P265 E273 N341 T342 L344T263-P265 WeakPolarHBondContact O-CD 3.41Å; T263-E273 HydrophobicContact CG2-CG 4.33Å; T263-N341 PolarHBondContact OG1-O 3.34Å; T263-T342 PolarHBondContact N-O 3.16Å; T263-T342 WeakPolarHBondContact O-CG2 3.25Å; T263-T342 WeakPolarHBondContact OG1-CA 3.21Å; T263-T342 PolarHBondContact OG1-O 2.96Å; T263-L344 HydrophobicContact CG2-CD2 4.05Å
264C69.3Low75.7Confident4 Ų446.6 Ų46.63%0.02727%0.272CS..  trans-60.6129174.8179.60000111.8V266 G267 C269 H272 C284 S287C264-V266 PolarHBondContact O-N 2.94Å; C264-V266 VanDerWaalsContact O-N 3.11Å; C264-V266 PolarHBondContact SG-N 2.64Å; C264-G267 PolarHBondContact O-N 3.18Å; C264-C269 HydrophobicContact CB-CB 4.07Å; C264-C269 WeakPolarHBondContact CB-SG 3.42Å; C264-H272 PolarHBondContact N-O 3.16Å; C264-C284 HydrophobicContact CB-CB 4.49Å; C264-S287 PolarHBondContact SG-OG 2.68Å
265P65.2Low74.9Confident58 Ų5848.9 Ų48.938%0.37727%0.271SS..THydrogen-bonded Turntrans-56.2-30.4178.1-25.232.6000114.1T263 A291 T342T263-P265 WeakPolarHBondContact O-CD 3.41Å; P265-A291 HydrophobicContact CG-CB 3.98Å; P265-T342 HydrophobicContact CG-CG2 4.04Å
266V66.5Low74Confident84 Ų8447.3 Ų47.351%0.50926%0.264SS..THydrogen-bonded Turntrans-87.8-9.8-176.7-173.40000112C264 S268 E289C264-V266 PolarHBondContact O-N 2.94Å; C264-V266 VanDerWaalsContact O-N 3.11Å; C264-V266 PolarHBondContact SG-N 2.64Å; V266-S268 PolarHBondContact O-N 2.96Å; V266-E289 HydrophobicContact CG2-CB 4.33Å; V266-E289 HydrophobicContact CG2-CG 3.67Å
267G66.7Low72.9Confident52 Ų5252 Ų5254%0.53629%0.286SS..SBendtrans65.2-2.3-177.600000115.1C264 C269C264-G267 PolarHBondContact O-N 3.18Å; G267-C269 PolarHBondContact O-N 3.49Å
268S67.2Low71.9Confident80 Ų8051.2 Ų51.256%0.55928%0.28SS*.THydrogen-bonded Turntrans-68.4-17.9-174.955.60000114V266V266-S268 PolarHBondContact O-N 2.96Å
269C66.1Low70.8Confident15 Ų1551.6 Ų51.610%0.10129%0.287CS..THydrogen-bonded Turntrans-92.514.6-175.770.40000114.6C264 G267 G271 H272 M286C264-C269 HydrophobicContact CB-CB 4.07Å; C264-C269 WeakPolarHBondContact CB-SG 3.42Å; G267-C269 PolarHBondContact O-N 3.49Å; C269-G271 VanDerWaalsContact C-N 3.28Å; C269-G271 PolarHBondContact O-N 3.41Å; C269-H272 HydrophobicContact CB-CB 3.73Å; C269-H272 PolarHBondContact O-N 3.24Å; C269-H272 WeakPolarHBondContact SG-CB 3.19Å; C269-H272 PolarHBondContact SG-N 2.82Å; C269-M286 HydrophobicContact CB-CB 3.96Å; C269-M286 HydrophobicContact CB-CG 4.38Å; C269-M286 HydrophobicContact CB-SD 3.86Å
270R68.9Low69.7Low249 Ų24952.3 Ų52.394%0.9430%0.296SS*.THydrogen-bonded Turntrans54.938.4-177-55.1-175.8-174-168.71.8114.1
271G64.8Low68.7Low40 Ų4057.5 Ų57.541%0.41232%0.323SS..THydrogen-bonded Turntrans78.923.3178.100000114.4C269 E273C269-G271 VanDerWaalsContact C-N 3.28Å; C269-G271 PolarHBondContact O-N 3.41Å; G271-E273 PolarHBondContact O-N 3.28Å
272H69.4Low67.7Low57 Ų5758.9 Ų58.926%0.26433%0.333SS..  trans-54.6123169.1175.576.5000110.5C264 C269 M286C264-H272 PolarHBondContact N-O 3.16Å; C269-H272 HydrophobicContact CB-CB 3.73Å; C269-H272 PolarHBondContact O-N 3.24Å; C269-H272 WeakPolarHBondContact SG-CB 3.19Å; C269-H272 PolarHBondContact SG-N 2.82Å; H272-M286 HydrophobicContact CB-CG 4.42Å; H272-M286 HydrophobicContact CB-SD 3.66Å
273E74.9Confident67.1Low95 Ų9564.9 Ų64.944%0.44436%0.359SS..EExtended strand (participates in β ladder)trans-95.4137179.3-61177.2-176.500109.7C262 T263 G271 L344C262-E273 CarbonylContact O-C 3.53Å; C262-E273 VanDerWaalsContact O-CA 3.24Å; C262-E273 WeakPolarHBondContact O-CA 3.35Å; T263-E273 HydrophobicContact CG2-CG 4.33Å; G271-E273 PolarHBondContact O-N 3.28Å; E273-L344 HydrophobicContact CG-CD1 4.48Å; E273-L344 HydrophobicContact CG-CD2 4.07Å; E273-L344 WeakPolarHBondContact OE1-CD2 3.4Å
274F70.3Confident66.4Low18 Ų1863.5 Ų63.58%0.07935%0.35CS..EExtended strand (participates in β ladder)trans-143.4148.1174.960.3-81.9000110.5S261 C262 V276 C284 A291S261-F274 CarbonylContact C-O 3.57Å; S261-F274 VanDerWaalsContact CA-O 3.3Å; S261-F274 WeakPolarHBondContact CA-O 3.45Å; C262-F274 PolarHBondContact N-O 2.65Å; C262-F274 PolarHBondContact O-N 2.77Å; F274-V276 HydrophobicContact CD2-CG2 3.97Å; F274-V276 HydrophobicContact CE2-CG2 3.74Å; F274-C284 HydrophobicContact CD1-CB 4.18Å; F274-C284 HydrophobicContact CE1-CB 3.6Å; F274-C284 HydrophobicContact CZ-CB 3.81Å; F274-A291 HydrophobicContact CE2-CB 3.78Å; F274-A291 HydrophobicContact CZ-CB 3.57Å
275E70.5Confident66.4Low90 Ų9071.5 Ų71.542%0.42139%0.387SS..EExtended strand (participates in β ladder)trans-73.7134.7-177.5-62.1-173.8165.800111.2N256 S282N256-E275 PolarHBondContact ND2-OE1 3.01Å; N256-E275 PolarHBondContact ND2-OE2 3.04Å; E275-S282 WeakPolarHBondContact O-CB 3.39Å; E275-S282 PolarHBondContact O-OG 3.29Å
276V67.2Low66.3Low1 Ų174.9 Ų74.91%0.00640%0.399CS..  trans-121.9120.7170.9-166.50000108.2S260 C262 F274 N278 S282 A291 V293S260-V276 PolarHBondContact O-N 3.37Å; C262-V276 HydrophobicContact CB-CG2 3.81Å; C262-V276 WeakPolarHBondContact SG-CG2 3.2Å; F274-V276 HydrophobicContact CD2-CG2 3.97Å; F274-V276 HydrophobicContact CE2-CG2 3.74Å; V276-N278 PolarHBondContact O-N 2.74Å; V276-S282 WeakPolarHBondContact CA-OG 3.49Å; V276-A291 HydrophobicContact CG2-CB 4.26Å; V276-V293 HydrophobicContact CB-CG2 3.99Å; V276-V293 HydrophobicContact CG1-CB 4.04Å; V276-V293 HydrophobicContact CG1-CG2 3.79Å; V276-V293 HydrophobicContact CG2-CG2 4.38Å
277E65.9Low66.5Low108 Ų10872.4 Ų72.451%0.50539%0.386SS..  trans-59143173.4-72.8-160.9-176.400110.1R235 C279 G280R235-E277 IonicContact NH2-OE2 3.37Å; R235-E277 PolarHBondContact NH2-OE2 3.41Å; E277-C279 PolarHBondContact O-N 2.7Å; E277-G280 WeakPolarHBondContact O-CA 3.3Å; E277-G280 PolarHBondContact O-N 3.1Å
278N64.4Low66.6Low11 Ų1175.4 Ų75.46%0.05939%0.39CS..THydrogen-bonded Turntrans-54.1126.7171-78.6-26.6000111.4D229 E232 V276 G280 Q349 R352D229-N278 PolarHBondContact OD2-ND2 3.25Å; D229-N278 PolarHBondContact OD2-OD1 2.93Å; E232-N278 PolarHBondContact OE2-ND2 3.34Å; V276-N278 PolarHBondContact O-N 2.74Å; N278-G280 VanDerWaalsContact C-N 3.32Å; N278-Q349 PolarHBondContact ND2-NE2 3.46Å; N278-Q349 WeakPolarHBondContact OD1-CG 3.48Å; N278-Q349 PolarHBondContact OD1-NE2 3.44Å; N278-R352 PolarHBondContact ND2-NH1 2.84Å; N278-R352 VanDerWaalsContact ND2-NH1 3.16Å
279C62Low66.5Low86 Ų8676.3 Ų76.358%0.58139%0.385SS*.THydrogen-bonded Turntrans66.725.4-170.6-52.50000114.7E277 V293 C295E277-C279 PolarHBondContact O-N 2.7Å; C279-V293 CarbonylContact C-O 3.13Å; C279-V293 WeakPolarHBondContact CA-O 3.21Å; C279-V293 PolarHBondContact N-O 3.27Å; C279-C295 HydrophobicContact CB-CB 4.48Å; C279-C295 WeakPolarHBondContact SG-CB 3.42Å
280G63.1Low66.5Low17 Ų1778.4 Ų78.418%0.17540%0.398CS..EExtended strand (participates in β ladder)trans-113.5166.1-174.800000114.1E277 N278 T292 V293E277-G280 WeakPolarHBondContact O-CA 3.3Å; E277-G280 PolarHBondContact O-N 3.1Å; N278-G280 VanDerWaalsContact C-N 3.32Å; G280-T292 WeakPolarHBondContact O-CA 3.37Å; G280-V293 PolarHBondContact N-O 3.4Å; G280-V293 PolarHBondContact O-N 2.92Å
281D63.8Low66Low113 Ų11366.7 Ų66.760%0.60435%0.354SS*.EExtended strand (participates in β ladder)trans-108.2124.6165.9-71.4-24.8000107.8T290 T292D281-T290 HydrophobicContact CB-CG2 3.64Å; D281-T292 WeakPolarHBondContact OD1-CA 3.47Å; D281-T292 WeakPolarHBondContact OD1-CB 3.48Å; D281-T292 WeakPolarHBondContact OD1-CG2 3.35Å; D281-T292 PolarHBondContact OD1-OG1 3Å
282S61.6Low65.9Low30 Ų3066.8 Ų66.821%0.2135%0.347CS..EExtended strand (participates in β ladder)trans-124.2136.1168.8-71.80000109.2E275 V276 T290 A291E275-S282 WeakPolarHBondContact O-CB 3.39Å; E275-S282 PolarHBondContact O-OG 3.29Å; V276-S282 WeakPolarHBondContact CA-OG 3.49Å; S282-T290 CarbonylContact O-C 3.52Å; S282-T290 WeakPolarHBondContact O-CA 3.05Å; S282-A291 PolarHBondContact N-O 2.98Å; S282-A291 PolarHBondContact O-N 3.08Å
283K64.1Low65.5Low125 Ų12564.1 Ų64.154%0.54333%0.334SS..EExtended strand (participates in β ladder)trans-84.7130.9172.8-68.9-174.7176.3-172.20109.8E285 E289K283-E285 PolarHBondContact O-N 2.89Å; K283-E289 CarbonylContact C-O 3.56Å; K283-E289 WeakPolarHBondContact CA-O 3.41Å
284C62.9Low64.8Low0 Ų064.5 Ų64.50%034%0.339CS..  trans-62119.2165.9179.60000108.2C264 F274 M286 S287 N288 E289C264-C284 HydrophobicContact CB-CB 4.49Å; F274-C284 HydrophobicContact CD1-CB 4.18Å; F274-C284 HydrophobicContact CE1-CB 3.6Å; F274-C284 HydrophobicContact CZ-CB 3.81Å; C284-M286 PolarHBondContact O-N 3.17Å; C284-M286 VanDerWaalsContact O-N 3.11Å; C284-S287 VanDerWaalsContact CB-OG 3.29Å; C284-S287 WeakPolarHBondContact CB-OG 3.46Å; C284-S287 PolarHBondContact O-N 3.46Å; C284-N288 WeakPolarHBondContact O-CA 3.25Å; C284-N288 PolarHBondContact O-N 2.96Å; C284-E289 PolarHBondContact N-O 3.06Å
285E68.3Low64.4Low173 Ų17364.7 Ų64.781%0.80834%0.342SS*.THydrogen-bonded Turntrans-61.3-23.8-177.6-61.7-177173.200112.5K283K283-E285 PolarHBondContact O-N 2.89Å
286M64.1Low63.7Low128 Ų12860.7 Ų60.763%0.63132%0.324SS*.THydrogen-bonded Turntrans-89.2-37.6-177.8-56.4-163.797.400114.3C269 H272 C284C269-M286 HydrophobicContact CB-CB 3.96Å; C269-M286 HydrophobicContact CB-CG 4.38Å; C269-M286 HydrophobicContact CB-SD 3.86Å; H272-M286 HydrophobicContact CB-CG 4.42Å; H272-M286 HydrophobicContact CB-SD 3.66Å; C284-M286 PolarHBondContact O-N 3.17Å; C284-M286 VanDerWaalsContact O-N 3.11Å
287S70.2Confident63Low32 Ų3262.6 Ų62.622%0.22434%0.34CS..THydrogen-bonded Turntrans-103.3-11.8-179.361.50000113.5C264 C284 E289C264-S287 PolarHBondContact SG-OG 2.68Å; C284-S287 VanDerWaalsContact CB-OG 3.29Å; C284-S287 WeakPolarHBondContact CB-OG 3.46Å; C284-S287 PolarHBondContact O-N 3.46Å; S287-E289 PolarHBondContact O-N 3.36Å; S287-E289 WeakPolarHBondContact OG-CB 3.17Å; S287-E289 WeakPolarHBondContact OG-CG 3.39Å; S287-E289 PolarHBondContact OG-N 3.46Å
288N69.3Low62.1Low115 Ų11565.3 Ų65.362%0.61536%0.358SS*.  trans60.312.5-169.9-156.229.6000113.9C284C284-N288 WeakPolarHBondContact O-CA 3.25Å; C284-N288 PolarHBondContact O-N 2.96Å
289E64.8Low61.4Low99 Ų9966 Ų6646%0.46336%0.361SS..PPolyproline II helixtrans-82137.5178.6-67.8-74.517600110.7V266 K283 C284 S287V266-E289 HydrophobicContact CG2-CB 4.33Å; V266-E289 HydrophobicContact CG2-CG 3.67Å; K283-E289 CarbonylContact C-O 3.56Å; K283-E289 WeakPolarHBondContact CA-O 3.41Å; C284-E289 PolarHBondContact N-O 3.06Å; S287-E289 PolarHBondContact O-N 3.36Å; S287-E289 WeakPolarHBondContact OG-CB 3.17Å; S287-E289 WeakPolarHBondContact OG-CG 3.39Å; S287-E289 PolarHBondContact OG-N 3.46Å
290T66.2Low60.8Low60 Ų6064.5 Ų64.537%0.36835%0.346SS..EExtended strand (participates in β ladder)trans-84.5119179.7-54.50000110.4D281 S282D281-T290 HydrophobicContact CB-CG2 3.64Å; S282-T290 CarbonylContact O-C 3.52Å; S282-T290 WeakPolarHBondContact O-CA 3.05Å
291A59.3Low60Low3 Ų365 Ų653%0.02535%0.345CS..EExtended strand (participates in β ladder)trans-86.4117.1159.500000109P265 F274 V276 S282 T342P265-A291 HydrophobicContact CG-CB 3.98Å; F274-A291 HydrophobicContact CE2-CB 3.78Å; F274-A291 HydrophobicContact CZ-CB 3.57Å; V276-A291 HydrophobicContact CG2-CB 4.26Å; S282-A291 PolarHBondContact N-O 2.98Å; S282-A291 PolarHBondContact O-N 3.08Å; A291-T342 HydrophobicContact CB-CG2 4.17Å
292T62.2Low59Low42 Ų4270.2 Ų70.226%0.25836%0.356SS..EExtended strand (participates in β ladder)trans-101.8113174.9-60.60000109G280 D281 L294 H339G280-T292 WeakPolarHBondContact O-CA 3.37Å; D281-T292 WeakPolarHBondContact OD1-CA 3.47Å; D281-T292 WeakPolarHBondContact OD1-CB 3.48Å; D281-T292 WeakPolarHBondContact OD1-CG2 3.35Å; D281-T292 PolarHBondContact OD1-OG1 3Å; T292-L294 HydrophobicContact CG2-CD2 4.29Å; T292-L294 HydrophobicContact CG2-CG 4.03Å; T292-H339 PolarHBondContact O-CE1 3.35Å
293V60.6Low57.9Low0 Ų071 Ų710%036%0.359CS..EExtended strand (participates in β ladder)trans-103.795.2176.1-179.50000109.1V276 C279 G280 C295 F335 L343 Q349V276-V293 HydrophobicContact CB-CG2 3.99Å; V276-V293 HydrophobicContact CG1-CB 4.04Å; V276-V293 HydrophobicContact CG1-CG2 3.79Å; V276-V293 HydrophobicContact CG2-CG2 4.38Å; C279-V293 CarbonylContact C-O 3.13Å; C279-V293 WeakPolarHBondContact CA-O 3.21Å; C279-V293 PolarHBondContact N-O 3.27Å; G280-V293 PolarHBondContact N-O 3.4Å; G280-V293 PolarHBondContact O-N 2.92Å; V293-C295 PolarHBondContact O-N 3.22Å; V293-F335 HydrophobicContact CG1-CZ 4.27Å; V293-L343 HydrophobicContact CG1-CD2 4.34Å; V293-L343 HydrophobicContact CG2-CD2 3.84Å; V293-Q349 HydrophobicContact CG1-CG 3.97Å
294L60.5Low56.9Low103 Ų10370.6 Ų70.654%0.53937%0.37SS..  trans-75.4115.2174.7-69.2169.9000109.7T292 P296 F335T292-L294 HydrophobicContact CG2-CD2 4.29Å; T292-L294 HydrophobicContact CG2-CG 4.03Å; L294-P296 WeakPolarHBondContact O-CD 3.3Å; L294-F335 WeakPolarHBondContact O-CD2 3.37Å; L294-F335 WeakPolarHBondContact O-CE2 3.49Å
295C62Low56.2Low23 Ų2375 Ų7516%0.15539%0.393CS..  trans-63.8130.7173.6-171.10000108.9C279 V293 A297 Q349C279-C295 HydrophobicContact CB-CB 4.48Å; C279-C295 WeakPolarHBondContact SG-CB 3.42Å; V293-C295 PolarHBondContact O-N 3.22Å; C295-A297 HydrophobicContact CB-CB 4.17Å; C295-A297 PolarHBondContact O-N 3.15Å; C295-A297 VanDerWaalsContact SG-CB 3.58Å; C295-A297 PolarHBondContact SG-N 3.28Å; C295-A297 VanDerWaalsContact SG-N 3.42Å; C295-Q349 PolarHBondContact SG-NE2 3.41Å; C295-Q349 PolarHBondContact SG-OE1 2.56Å; C295-Q349 VanDerWaalsContact SG-OE1 3.36Å
296P56.2Low55.7Low6 Ų668.9 Ų68.94%0.03937%0.366CS..G310 helixtrans-68.424.8167.434.5-39.4000111.7L294 D298 L299 M300 Q349 R352L294-P296 WeakPolarHBondContact O-CD 3.3Å; P296-D298 PolarHBondContact O-N 3.37Å; P296-D298 VanDerWaalsContact O-N 3.12Å; P296-L299 HydrophobicContact CB-CB 3.99Å; P296-L299 HydrophobicContact CB-CD1 3.86Å; P296-L299 HydrophobicContact CB-CG 4.22Å; P296-L299 CarbonylContact O-C 3.58Å; P296-L299 VanDerWaalsContact O-CA 3.31Å; P296-L299 WeakPolarHBondContact O-CA 3.47Å; P296-L299 WeakPolarHBondContact O-CB 3.41Å; P296-L299 PolarHBondContact O-N 3.03Å; P296-M300 WeakPolarHBondContact O-CG 3.45Å; P296-M300 PolarHBondContact O-N 2.82Å; P296-Q349 VanDerWaalsContact CD-OE1 3.23Å; P296-R352 HydrophobicContact CG-CB 4.31Å
297A52.1Low55.9Low40 Ų4067.2 Ų67.233%0.33136%0.356SS..G310 helixtrans-54-34.4-179.200000112.2C295 M300C295-A297 HydrophobicContact CB-CB 4.17Å; C295-A297 PolarHBondContact O-N 3.15Å; C295-A297 VanDerWaalsContact SG-CB 3.58Å; C295-A297 PolarHBondContact SG-N 3.28Å; C295-A297 VanDerWaalsContact SG-N 3.42Å; A297-M300 PolarHBondContact O-N 3.36Å
298D46Very low55.7Low166 Ų16667.9 Ų67.989%0.88836%0.363SS*.G310 helixtrans-77.5-24.5175.3-67.2-25.2000112.9P296P296-D298 PolarHBondContact O-N 3.37Å; P296-D298 VanDerWaalsContact O-N 3.12Å
299L49.4Very low55.7Low24 Ų2467.3 Ų67.313%0.12636%0.357CS..THydrogen-bonded Turntrans-82.4-22.5172.1-55.7177.6000111.9P296 I301 Y327 M328 A331 V356P296-L299 HydrophobicContact CB-CB 3.99Å; P296-L299 HydrophobicContact CB-CD1 3.86Å; P296-L299 HydrophobicContact CB-CG 4.22Å; P296-L299 CarbonylContact O-C 3.58Å; P296-L299 VanDerWaalsContact O-CA 3.31Å; P296-L299 WeakPolarHBondContact O-CA 3.47Å; P296-L299 WeakPolarHBondContact O-CB 3.41Å; P296-L299 PolarHBondContact O-N 3.03Å; L299-I301 VanDerWaalsContact C-N 3.34Å; L299-I301 PolarHBondContact O-N 3.02Å; L299-Y327 HydrophobicContact CD2-CE1 4.01Å; L299-M328 WeakPolarHBondContact O-CE 3.24Å; L299-A331 HydrophobicContact CD1-CB 3.52Å; L299-A331 HydrophobicContact CD2-CB 3.52Å; L299-A331 HydrophobicContact CG-CB 4.17Å; L299-V356 HydrophobicContact CB-CG1 4.49Å
300M51.1Low56Low55 Ų5563.1 Ų63.127%0.27134%0.337SS..SBendtrans-64.8100.1172.9-64.4-157.6101.200107.8P296 A297 R302 R352 V356P296-M300 WeakPolarHBondContact O-CG 3.45Å; P296-M300 PolarHBondContact O-N 2.82Å; A297-M300 PolarHBondContact O-N 3.36Å; M300-R302 PolarHBondContact O-N 3.14Å; M300-R352 HydrophobicContact CE-CB 3.82Å; M300-R352 HydrophobicContact CE-CG 3.92Å; M300-R352 HydrophobicContact SD-CB 4.09Å; M300-R352 HydrophobicContact SD-CG 4.09Å; M300-V356 HydrophobicContact CB-CG2 4.36Å; M300-V356 HydrophobicContact CG-CG2 3.94Å
301I44.6Very low56.5Low29 Ų2963 Ų6315%0.14933%0.332CS..  trans-57.5101.7160.5-76.3166.8000106.4L299 T303 L325 M328L299-I301 VanDerWaalsContact C-N 3.34Å; L299-I301 PolarHBondContact O-N 3.02Å; I301-T303 HydrophobicContact CB-CG2 4.37Å; I301-T303 VanDerWaalsContact CG2-CB 3.43Å; I301-T303 HydrophobicContact CG2-CG2 2.92Å; I301-T303 WeakPolarHBondContact CG2-OG1 3.41Å; I301-T303 PolarHBondContact O-N 3.34Å; I301-L325 HydrophobicContact CD1-CD2 3.92Å; I301-M328 HydrophobicContact CB-CE 3.98Å; I301-M328 HydrophobicContact CB-SD 4.46Å; I301-M328 HydrophobicContact CD1-CE 3.25Å; I301-M328 HydrophobicContact CD1-SD 3.11Å; I301-M328 WeakPolarHBondContact CD1-SD 3.25Å; I301-M328 HydrophobicContact CG1-CE 3.31Å; I301-M328 HydrophobicContact CG1-SD 3.23Å; I301-M328 WeakPolarHBondContact CG1-SD 3.47Å
302R44.4Very low57.5Low221 Ų22170.2 Ų70.283%0.83436%0.358SS*.  trans-66.283.5151.5-57.6-175.2-154.3-163.36.6104.4M300 P304M300-R302 PolarHBondContact O-N 3.14Å; R302-P304 WeakPolarHBondContact O-CD 3.39Å
303T38.7Very low58.4Low46 Ų4669.3 Ų69.328%0.28236%0.355SS..  trans-95.192.416439.20000108.2I301 D305 I310I301-T303 HydrophobicContact CB-CG2 4.37Å; I301-T303 VanDerWaalsContact CG2-CB 3.43Å; I301-T303 HydrophobicContact CG2-CG2 2.92Å; I301-T303 WeakPolarHBondContact CG2-OG1 3.41Å; I301-T303 PolarHBondContact O-N 3.34Å; T303-D305 HydrophobicContact CG2-CB 3.88Å; T303-I310 HydrophobicContact CG2-CD1 3.38Å; T303-I310 HydrophobicContact CG2-CG1 4.37Å
304P42.1Very low59.4Low118 Ų11870.6 Ų70.677%0.76636%0.363SS*.  trans-65.7-7.3135.9-12.127.5000112.3R302 D306R302-P304 WeakPolarHBondContact O-CD 3.39Å; P304-D306 PolarHBondContact O-N 2.89Å; P304-D306 VanDerWaalsContact O-N 3.16Å
305D48.1Very low60.5Low91 Ų9174.8 Ų74.849%0.48737%0.372SS..SBendtrans-62.2125.5171.8-51.2-42.7000108.5T303 F307 I310T303-D305 HydrophobicContact CG2-CB 3.88Å; D305-F307 PolarHBondContact O-N 2.81Å; D305-I310 HydrophobicContact CB-CG1 4.45Å
306D58.7Low61.7Low45 Ų4577.8 Ų77.824%0.24140%0.398CS..  trans-39.1110.3-179.617923.2000109.1K21 P304 A308 Q309 I310 R312K21-D306 IonicContact NZ-OD1 3.5Å; K21-D306 PolarHBondContact NZ-OD1 2.85Å; K21-D306 VanDerWaalsContact NZ-OD1 3.1Å; K21-D306 IonicContact NZ-OD2 3.88Å; K21-D306 PolarHBondContact NZ-OD2 2.92Å; P304-D306 PolarHBondContact O-N 2.89Å; P304-D306 VanDerWaalsContact O-N 3.16Å; D306-A308 CarbonylContact O-C 3.55Å; D306-A308 PolarHBondContact O-N 2.79Å; D306-A308 WeakPolarHBondContact OD1-CB 3.48Å; D306-A308 PolarHBondContact OD1-N 2.9Å; D306-Q309 HydrophobicContact CB-CB 3.74Å; D306-Q309 VanDerWaalsContact O-CA 3.26Å; D306-Q309 WeakPolarHBondContact O-CA 3.49Å; D306-Q309 WeakPolarHBondContact O-CB 3.33Å; D306-Q309 PolarHBondContact O-N 3.34Å; D306-I310 PolarHBondContact O-N 2.83Å; D306-R312 IonicContact OD2-NH2 3.02Å; D306-R312 PolarHBondContact OD2-NH2 3.43Å
307F66.8Low63Low93 Ų9380.2 Ų80.241%0.40842%0.424SS..Hα-helixtrans-50-30.8178.4-167.9-91.5000110.8D305 K311 Y362 F363D305-F307 PolarHBondContact O-N 2.81Å; F307-K311 VanDerWaalsContact O-CB 3.24Å; F307-K311 WeakPolarHBondContact O-CB 3.5Å; F307-K311 PolarHBondContact O-N 3.11Å; F307-Y362 HydrophobicContact CD1-CE1 4.4Å; F307-Y362 HydrophobicContact CE1-CD1 4.01Å; F307-Y362 AromaticContact CE1-CE1 3.21Å; F307-Y362 HydrophobicContact CE1-CE1 3.21Å; F307-Y362 AromaticContact CE1-CZ 3.63Å; F307-Y362 HydrophobicContact CE2-CD1 4.27Å; F307-Y362 HydrophobicContact CE2-CE1 4.27Å; F307-Y362 AromaticContact CZ-CD1 3.41Å; F307-Y362 HydrophobicContact CZ-CD1 3.41Å; F307-Y362 VanDerWaalsContact CZ-CD1 3.41Å; F307-Y362 AromaticContact CZ-CE1 3.12Å; F307-Y362 HydrophobicContact CZ-CE1 3.12Å; F307-Y362 HydrophobicContact CZ-CG 4.29Å; F307-Y362 AromaticContact CZ-CZ 3.78Å; F307-F363 HydrophobicContact CD1-CE1 4.45Å; F307-F363 HydrophobicContact CD1-CZ 4.41Å; F307-F363 HydrophobicContact CD2-CE1 4.3Å; F307-F363 HydrophobicContact CD2-CE2 4.31Å; F307-F363 AromaticContact CD2-CZ 3.5Å; F307-F363 HydrophobicContact CD2-CZ 3.5Å; F307-F363 HydrophobicContact CE1-CE1 4.27Å; F307-F363 HydrophobicContact CE1-CZ 4.33Å; F307-F363 HydrophobicContact CE2-CE1 4.1Å; F307-F363 AromaticContact CE2-CE2 3.96Å; F307-F363 HydrophobicContact CE2-CE2 3.96Å; F307-F363 AromaticContact CE2-CZ 3.37Å; F307-F363 HydrophobicContact CE2-CZ 3.37Å; F307-F363 HydrophobicContact CG-CE1 4.48Å; F307-F363 HydrophobicContact CG-CZ 4.05Å; F307-F363 HydrophobicContact CZ-CE1 4.1Å; F307-F363 AromaticContact CZ-CZ 3.84Å; F307-F363 HydrophobicContact CZ-CZ 3.84Å
308A65.9Low64.6Low46 Ų4681.6 Ų81.638%0.3843%0.426SS..Hα-helixtrans-70.2-31.817200000114.3D306 R312D306-A308 CarbonylContact O-C 3.55Å; D306-A308 PolarHBondContact O-N 2.79Å; D306-A308 WeakPolarHBondContact OD1-CB 3.48Å; D306-A308 PolarHBondContact OD1-N 2.9Å; A308-R312 VanDerWaalsContact O-CB 3.28Å; A308-R312 WeakPolarHBondContact O-CB 3.44Å; A308-R312 WeakPolarHBondContact O-CG 3.37Å; A308-R312 PolarHBondContact O-N 3.15Å; A308-R312 PolarHBondContact O-NE 3.45Å
309Q69.2Low66.5Low104 Ų10477.3 Ų77.349%0.48641%0.413SS..Hα-helixtrans-68.7-45.4170.3-175.417715.700111.6D306 R312 A313D306-Q309 HydrophobicContact CB-CB 3.74Å; D306-Q309 VanDerWaalsContact O-CA 3.26Å; D306-Q309 WeakPolarHBondContact O-CA 3.49Å; D306-Q309 WeakPolarHBondContact O-CB 3.33Å; D306-Q309 PolarHBondContact O-N 3.34Å; Q309-R312 PolarHBondContact O-N 3.42Å; Q309-A313 WeakPolarHBondContact O-CB 3.42Å; Q309-A313 PolarHBondContact O-N 2.95Å
310I72.7Confident68.1Low10 Ų1079.7 Ų79.75%0.05144%0.437CS..Hα-helixtrans-59.3-51.1174.7-54.3172.2000109.2T303 D305 D306 R312 A313 V314 L321 F363T303-I310 HydrophobicContact CG2-CD1 3.38Å; T303-I310 HydrophobicContact CG2-CG1 4.37Å; D305-I310 HydrophobicContact CB-CG1 4.45Å; D306-I310 PolarHBondContact O-N 2.83Å; I310-R312 VanDerWaalsContact C-N 3.28Å; I310-R312 PolarHBondContact O-N 2.82Å; I310-A313 PolarHBondContact O-N 3.22Å; I310-A313 VanDerWaalsContact O-N 3.1Å; I310-V314 HydrophobicContact CG2-CG2 4.31Å; I310-V314 WeakPolarHBondContact O-CB 3.27Å; I310-V314 WeakPolarHBondContact O-CG2 3.29Å; I310-V314 PolarHBondContact O-N 2.77Å; I310-L321 HydrophobicContact CG2-CD1 4.39Å; I310-L321 HydrophobicContact CG2-CD2 3.94Å; I310-F363 HydrophobicContact CB-CD1 4.42Å; I310-F363 HydrophobicContact CB-CE1 3.73Å; I310-F363 HydrophobicContact CB-CE2 4.46Å; I310-F363 HydrophobicContact CB-CZ 3.75Å; I310-F363 HydrophobicContact CD1-CE2 4.17Å; I310-F363 HydrophobicContact CD1-CZ 3.87Å; I310-F363 HydrophobicContact CG1-CZ 4.45Å; I310-F363 HydrophobicContact CG2-CD1 3.69Å; I310-F363 HydrophobicContact CG2-CD2 4.01Å; I310-F363 HydrophobicContact CG2-CE1 3.43Å; I310-F363 VanDerWaalsContact CG2-CE1 3.43Å; I310-F363 HydrophobicContact CG2-CE2 3.78Å; I310-F363 HydrophobicContact CG2-CG 3.98Å; I310-F363 HydrophobicContact CG2-CZ 3.48Å; I310-F363 VanDerWaalsContact CG2-CZ 3.48Å
311K75.8Confident69.5Low58 Ų5878.8 Ų78.825%0.25243%0.433SS..Hα-helixtrans-57.1-38.7176.9-172.2169.5-174.8163.40113F307 R315 Y362 F363F307-K311 VanDerWaalsContact O-CB 3.24Å; F307-K311 WeakPolarHBondContact O-CB 3.5Å; F307-K311 PolarHBondContact O-N 3.11Å; K311-R315 WeakPolarHBondContact O-CB 3.19Å; K311-R315 VanDerWaalsContact O-CG 3.23Å; K311-R315 WeakPolarHBondContact O-CG 3.21Å; K311-R315 PolarHBondContact O-N 2.89Å; K311-R315 VanDerWaalsContact O-N 3.08Å; K311-Y362 PolarHBondContact NZ-OH 3.16Å; K311-F363 HydrophobicContact CB-CE1 4.37Å
312R79.6Confident71.3Confident154 Ų15480.3 Ų80.358%0.58144%0.44SS*.Hα-helixtrans-68.2-44.4174.6-81.9-178.4-67.9165.80.4112.1D306 A308 Q309 I310 R315 A316D306-R312 IonicContact OD2-NH2 3.02Å; D306-R312 PolarHBondContact OD2-NH2 3.43Å; A308-R312 VanDerWaalsContact O-CB 3.28Å; A308-R312 WeakPolarHBondContact O-CB 3.44Å; A308-R312 WeakPolarHBondContact O-CG 3.37Å; A308-R312 PolarHBondContact O-N 3.15Å; A308-R312 PolarHBondContact O-NE 3.45Å; Q309-R312 PolarHBondContact O-N 3.42Å; I310-R312 VanDerWaalsContact C-N 3.28Å; I310-R312 PolarHBondContact O-N 2.82Å; R312-R315 PolarHBondContact O-N 3.09Å; R312-A316 VanDerWaalsContact O-CB 3.31Å; R312-A316 WeakPolarHBondContact O-CB 3.45Å; R312-A316 PolarHBondContact O-N 3.3Å
313A80.9Confident73.2Confident23 Ų2373.7 Ų73.719%0.1943%0.428CS..Hα-helixtrans-65.4-41.6179.800000111.8Q309 I310 A316 G317 N318 L321Q309-A313 WeakPolarHBondContact O-CB 3.42Å; Q309-A313 PolarHBondContact O-N 2.95Å; I310-A313 PolarHBondContact O-N 3.22Å; I310-A313 VanDerWaalsContact O-N 3.1Å; A313-A316 CarbonylContact O-C 3.52Å; A313-A316 PolarHBondContact O-N 3Å; A313-G317 PolarHBondContact O-N 3.06Å; A313-N318 HydrophobicContact CB-CB 4.11Å; A313-N318 WeakPolarHBondContact O-CB 3.4Å; A313-N318 PolarHBondContact O-N 3.32Å; A313-L321 HydrophobicContact CB-CD2 3.5Å; A313-L321 VanDerWaalsContact CB-CD2 3.5Å
314V82Confident75.1Confident28 Ų2878.6 Ų78.617%0.1744%0.441CS..Hα-helixtrans-59.8-49.4171.9168.70000110.9I310 A316 G317 L321 M322 L325 F363I310-V314 HydrophobicContact CG2-CG2 4.31Å; I310-V314 WeakPolarHBondContact O-CB 3.27Å; I310-V314 WeakPolarHBondContact O-CG2 3.29Å; I310-V314 PolarHBondContact O-N 2.77Å; V314-A316 PolarHBondContact O-N 3.16Å; V314-G317 PolarHBondContact O-N 3.27Å; V314-L321 HydrophobicContact CG2-CD2 3.82Å; V314-L321 HydrophobicContact CG2-CG 4.33Å; V314-M322 HydrophobicContact CB-SD 4.3Å; V314-M322 HydrophobicContact CG1-SD 3.79Å; V314-M322 HydrophobicContact CG2-SD 3.89Å; V314-L325 HydrophobicContact CG2-CD1 3.97Å; V314-F363 VanDerWaalsContact CG1-O 3.31Å; V314-F363 WeakPolarHBondContact CG1-O 3.49Å; V314-F363 HydrophobicContact CG2-CB 4.32Å; V314-F363 HydrophobicContact CG2-CD1 4.45Å
315R83.4Confident77Confident191 Ų19173.1 Ų73.172%0.72141%0.405SS*.Hα-helixtrans-61.4-29.6176.3-77.1174.9174.6-170.9-6.5113.4K311 R312 G317K311-R315 WeakPolarHBondContact O-CB 3.19Å; K311-R315 VanDerWaalsContact O-CG 3.23Å; K311-R315 WeakPolarHBondContact O-CG 3.21Å; K311-R315 PolarHBondContact O-N 2.89Å; K311-R315 VanDerWaalsContact O-N 3.08Å; R312-R315 PolarHBondContact O-N 3.09Å; R315-G317 PolarHBondContact O-N 2.9Å
316A87.7Confident78.7Confident85 Ų8572.6 Ų72.670%0.70240%0.403SS*.THydrogen-bonded Turntrans-80.64.9174.900000113.1R312 A313 V314R312-A316 VanDerWaalsContact O-CB 3.31Å; R312-A316 WeakPolarHBondContact O-CB 3.45Å; R312-A316 PolarHBondContact O-N 3.3Å; A313-A316 CarbonylContact O-C 3.52Å; A313-A316 PolarHBondContact O-N 3Å; V314-A316 PolarHBondContact O-N 3.16Å
317G84.5Confident79.8Confident57 Ų5778 Ų7859%0.58842%0.421SS*.THydrogen-bonded Turntrans71.330.1178.400000114A313 V314 R315 A319A313-G317 PolarHBondContact O-N 3.06Å; V314-G317 PolarHBondContact O-N 3.27Å; R315-G317 PolarHBondContact O-N 2.9Å; G317-A319 PolarHBondContact O-N 3.19Å
318N84.9Confident80.3Confident70 Ų7074.1 Ų74.137%0.37440%0.404SS..  trans-64.698.6179.2-174-40.1000111.2A313 A320 L321 M322A313-N318 HydrophobicContact CB-CB 4.11Å; A313-N318 WeakPolarHBondContact O-CB 3.4Å; A313-N318 PolarHBondContact O-N 3.32Å; N318-A320 PolarHBondContact O-N 3.43Å; N318-A320 PolarHBondContact OD1-N 2.94Å; N318-L321 HydrophobicContact CB-CB 4.1Å; N318-L321 PolarHBondContact O-N 3.12Å; N318-L321 PolarHBondContact OD1-N 3.48Å; N318-M322 WeakPolarHBondContact O-CG 3.45Å; N318-M322 PolarHBondContact O-N 3.17Å
319A86.2Confident81.3Confident75 Ų7572.7 Ų72.762%0.6239%0.389SS*.Hα-helixtrans-61.2-39-175.400000113.3G317 M322 S323G317-A319 PolarHBondContact O-N 3.19Å; A319-M322 PolarHBondContact O-N 2.97Å; A319-S323 VanDerWaalsContact O-CB 3.3Å; A319-S323 WeakPolarHBondContact O-CB 3.31Å; A319-S323 PolarHBondContact O-N 3.43Å
320A83.1Confident82Confident75 Ų7571.3 Ų71.362%0.6239%0.387SS*.Hα-helixtrans-64.6-42.3179.100000111.7N318 R324N318-A320 PolarHBondContact O-N 3.43Å; N318-A320 PolarHBondContact OD1-N 2.94Å; A320-R324 WeakPolarHBondContact O-CB 3.19Å; A320-R324 PolarHBondContact O-N 2.97Å
321L80.6Confident82.4Confident35 Ų3572.2 Ų72.218%0.18340%0.396CS..Hα-helixtrans-66-43.8175.3178.161.2000111.6I310 A313 V314 N318 R324 L325I310-L321 HydrophobicContact CG2-CD1 4.39Å; I310-L321 HydrophobicContact CG2-CD2 3.94Å; A313-L321 HydrophobicContact CB-CD2 3.5Å; A313-L321 VanDerWaalsContact CB-CD2 3.5Å; V314-L321 HydrophobicContact CG2-CD2 3.82Å; V314-L321 HydrophobicContact CG2-CG 4.33Å; N318-L321 HydrophobicContact CB-CB 4.1Å; N318-L321 PolarHBondContact O-N 3.12Å; N318-L321 PolarHBondContact OD1-N 3.48Å; L321-R324 PolarHBondContact O-N 3.07Å; L321-L325 HydrophobicContact CD1-CD1 4.37Å; L321-L325 HydrophobicContact CD1-CG 4.33Å; L321-L325 HydrophobicContact CG-CD1 4.15Å; L321-L325 WeakPolarHBondContact O-CG 3.12Å; L321-L325 PolarHBondContact O-N 3.47Å
322M81.8Confident82.8Confident61 Ų6169.5 Ų69.530%0.338%0.384SS..Hα-helixtrans-63.1-42.8177.2-72.7-57.2-64.500112.2V314 N318 A319 R324 L325 N326 K364V314-M322 HydrophobicContact CB-SD 4.3Å; V314-M322 HydrophobicContact CG1-SD 3.79Å; V314-M322 HydrophobicContact CG2-SD 3.89Å; N318-M322 WeakPolarHBondContact O-CG 3.45Å; N318-M322 PolarHBondContact O-N 3.17Å; A319-M322 PolarHBondContact O-N 2.97Å; M322-R324 VanDerWaalsContact C-N 3.34Å; M322-R324 PolarHBondContact O-N 2.95Å; M322-L325 PolarHBondContact O-N 3.1Å; M322-L325 HydrophobicContact SD-CD1 4.25Å; M322-N326 WeakPolarHBondContact O-CB 3.27Å; M322-N326 PolarHBondContact O-N 3.17Å; M322-K364 HydrophobicContact CE-CG 4.08Å
323S83.6Confident83.1Confident83 Ų8365.6 Ų65.658%0.5837%0.373SS*.Hα-helixtrans-59.6-44.6174.6178.90000111.2A319 N326 Y327A319-S323 VanDerWaalsContact O-CB 3.3Å; A319-S323 WeakPolarHBondContact O-CB 3.31Å; A319-S323 PolarHBondContact O-N 3.43Å; S323-N326 PolarHBondContact O-N 3.31Å; S323-Y327 WeakPolarHBondContact O-CB 3.36Å; S323-Y327 PolarHBondContact O-N 3.21Å
324R80Confident83.2Confident149 Ų14966.1 Ų66.156%0.56238%0.38SS*.Hα-helixtrans-62.1-46.3175.6-174.8177179.1179.41.1112.6A320 L321 M322 N326 Y327 M328A320-R324 WeakPolarHBondContact O-CB 3.19Å; A320-R324 PolarHBondContact O-N 2.97Å; L321-R324 PolarHBondContact O-N 3.07Å; M322-R324 VanDerWaalsContact C-N 3.34Å; M322-R324 PolarHBondContact O-N 2.95Å; R324-N326 VanDerWaalsContact C-N 3.27Å; R324-N326 PolarHBondContact O-N 3.04Å; R324-Y327 PolarHBondContact O-N 3.44Å; R324-M328 HydrophobicContact CG-SD 4.28Å; R324-M328 VanDerWaalsContact O-CG 3.29Å; R324-M328 WeakPolarHBondContact O-CG 3.31Å; R324-M328 PolarHBondContact O-N 3.03Å
325L80.7Confident83.2Confident2 Ų265.6 Ų65.61%0.0138%0.376CS..Hα-helixtrans-62.1-36.8176.1-71.5170000111.5I301 V314 L321 M322 Y329 F363I301-L325 HydrophobicContact CD1-CD2 3.92Å; V314-L325 HydrophobicContact CG2-CD1 3.97Å; L321-L325 HydrophobicContact CD1-CD1 4.37Å; L321-L325 HydrophobicContact CD1-CG 4.33Å; L321-L325 HydrophobicContact CG-CD1 4.15Å; L321-L325 WeakPolarHBondContact O-CG 3.12Å; L321-L325 PolarHBondContact O-N 3.47Å; M322-L325 PolarHBondContact O-N 3.1Å; M322-L325 HydrophobicContact SD-CD1 4.25Å; L325-Y329 PolarHBondContact O-N 2.63Å; L325-Y329 VanDerWaalsContact O-N 3.13Å; L325-F363 HydrophobicContact CD1-CB 3.62Å; L325-F363 HydrophobicContact CD1-CD2 4.39Å; L325-F363 HydrophobicContact CD1-CG 4.19Å; L325-F363 HydrophobicContact CD2-CD2 4.03Å
326N84.5Confident83.2Confident81 Ų8157.9 Ų57.943%0.43335%0.349SS..Hα-helixtrans-68.7-48.3176.7-164.864.4000112.2M322 S323 R324 M328 Y329 V330 K364M322-N326 WeakPolarHBondContact O-CB 3.27Å; M322-N326 PolarHBondContact O-N 3.17Å; S323-N326 PolarHBondContact O-N 3.31Å; R324-N326 VanDerWaalsContact C-N 3.27Å; R324-N326 PolarHBondContact O-N 3.04Å; N326-M328 VanDerWaalsContact C-N 3.26Å; N326-M328 PolarHBondContact O-N 2.75Å; N326-Y329 WeakPolarHBondContact O-CB 3.36Å; N326-Y329 PolarHBondContact O-N 3.47Å; N326-Y329 VanDerWaalsContact O-N 3.14Å; N326-V330 WeakPolarHBondContact O-CG2 3.27Å; N326-V330 PolarHBondContact O-N 3.37Å; N326-K364 WeakPolarHBondContact OD1-CE 3.41Å; N326-K364 PolarHBondContact OD1-NZ 3.47Å
327Y81.4Confident83Confident159 Ų15960.5 Ų60.562%0.62435%0.346SS*.Hα-helixtrans-52.8-47.2175.7170.2-97.5000111.4L299 S323 R324 Y329 V330 A331L299-Y327 HydrophobicContact CD2-CE1 4.01Å; S323-Y327 WeakPolarHBondContact O-CB 3.36Å; S323-Y327 PolarHBondContact O-N 3.21Å; R324-Y327 PolarHBondContact O-N 3.44Å; Y327-Y329 PolarHBondContact O-N 3.42Å; Y327-V330 PolarHBondContact O-N 3.07Å; Y327-A331 VanDerWaalsContact O-CB 3.27Å; Y327-A331 WeakPolarHBondContact O-CB 3.42Å; Y327-A331 PolarHBondContact O-N 3.02Å
328M78.4Confident82.6Confident10 Ų1063.9 Ų63.95%0.04935%0.345CS..Hα-helixtrans-65.1-40179.1-72.8168.449.400113.9L299 I301 R324 N326 A331 A332 V356L299-M328 WeakPolarHBondContact O-CE 3.24Å; I301-M328 HydrophobicContact CB-CE 3.98Å; I301-M328 HydrophobicContact CB-SD 4.46Å; I301-M328 HydrophobicContact CD1-CE 3.25Å; I301-M328 HydrophobicContact CD1-SD 3.11Å; I301-M328 WeakPolarHBondContact CD1-SD 3.25Å; I301-M328 HydrophobicContact CG1-CE 3.31Å; I301-M328 HydrophobicContact CG1-SD 3.23Å; I301-M328 WeakPolarHBondContact CG1-SD 3.47Å; R324-M328 HydrophobicContact CG-SD 4.28Å; R324-M328 VanDerWaalsContact O-CG 3.29Å; R324-M328 WeakPolarHBondContact O-CG 3.31Å; R324-M328 PolarHBondContact O-N 3.03Å; N326-M328 VanDerWaalsContact C-N 3.26Å; N326-M328 PolarHBondContact O-N 2.75Å; M328-A331 PolarHBondContact O-N 3.01Å; M328-A332 VanDerWaalsContact O-CB 3.25Å; M328-A332 WeakPolarHBondContact O-CB 3.44Å; M328-A332 PolarHBondContact O-N 3.24Å; M328-V356 HydrophobicContact CB-CG1 4.18Å; M328-V356 HydrophobicContact CE-CG1 3.62Å
329Y85.6Confident82.2Confident17 Ų1761 Ų617%0.06733%0.329CS..Hα-helixtrans-60.2-52.2176.5-169.6-84.8000110L325 N326 Y327 A331 A332 E333 M357 A360 A361 E369L325-Y329 PolarHBondContact O-N 2.63Å; L325-Y329 VanDerWaalsContact O-N 3.13Å; N326-Y329 WeakPolarHBondContact O-CB 3.36Å; N326-Y329 PolarHBondContact O-N 3.47Å; N326-Y329 VanDerWaalsContact O-N 3.14Å; Y327-Y329 PolarHBondContact O-N 3.42Å; Y329-A331 VanDerWaalsContact C-N 3.32Å; Y329-A331 PolarHBondContact O-N 3.1Å; Y329-A332 PolarHBondContact O-N 2.98Å; Y329-A332 VanDerWaalsContact O-N 3.16Å; Y329-E333 HydrophobicContact CE1-CB 4.5Å; Y329-E333 WeakPolarHBondContact O-CB 2.77Å; Y329-E333 PolarHBondContact O-N 3.33Å; Y329-M357 HydrophobicContact CD2-CB 4.12Å; Y329-M357 HydrophobicContact CD2-CG 4.32Å; Y329-M357 HydrophobicContact CE1-CE 4.15Å; Y329-M357 HydrophobicContact CE2-CB 3.76Å; Y329-M357 HydrophobicContact CE2-CE 4.07Å; Y329-M357 HydrophobicContact CE2-CG 4.16Å; Y329-M357 WeakPolarHBondContact OH-CE 3.28Å; Y329-A360 HydrophobicContact CD2-CB 3.85Å; Y329-A360 HydrophobicContact CG-CB 4.45Å; Y329-A361 HydrophobicContact CE2-CB 4.21Å; Y329-E369 PolarHBondContact OH-OE1 2.71Å
330V85.4Confident81.6Confident75 Ų7564 Ų6446%0.45533%0.33SS..Hα-helixtrans-61.9-39.6179.9173.30000111.5N326 Y327 E333 G334N326-V330 WeakPolarHBondContact O-CG2 3.27Å; N326-V330 PolarHBondContact O-N 3.37Å; Y327-V330 PolarHBondContact O-N 3.07Å; V330-E333 PolarHBondContact O-N 3.19Å; V330-G334 PolarHBondContact O-N 2.76Å
331A79.6Confident81.1Confident29 Ų2966.9 Ų66.924%0.2434%0.335CS..Hα-helixtrans-68.4-35.7177.300000112.6L299 Y327 M328 Y329 F335L299-A331 HydrophobicContact CD1-CB 3.52Å; L299-A331 HydrophobicContact CD2-CB 3.52Å; L299-A331 HydrophobicContact CG-CB 4.17Å; Y327-A331 VanDerWaalsContact O-CB 3.27Å; Y327-A331 WeakPolarHBondContact O-CB 3.42Å; Y327-A331 PolarHBondContact O-N 3.02Å; M328-A331 PolarHBondContact O-N 3.01Å; Y329-A331 VanDerWaalsContact C-N 3.32Å; Y329-A331 PolarHBondContact O-N 3.1Å; A331-F335 PolarHBondContact O-N 3.41Å; A331-F335 VanDerWaalsContact O-N 3.1Å
332A84Confident81Confident0 Ų065.7 Ų65.70%033%0.33CS..Hα-helixtrans-72.6-39.3175.200000111.9M328 Y329 F335 L336 T353 V356 M357M328-A332 VanDerWaalsContact O-CB 3.25Å; M328-A332 WeakPolarHBondContact O-CB 3.44Å; M328-A332 PolarHBondContact O-N 3.24Å; Y329-A332 PolarHBondContact O-N 2.98Å; Y329-A332 VanDerWaalsContact O-N 3.16Å; A332-F335 WeakPolarHBondContact O-CB 3.44Å; A332-F335 PolarHBondContact O-N 3.44Å; A332-L336 PolarHBondContact O-N 3.26Å; A332-T353 HydrophobicContact CB-CG2 3.71Å; A332-T353 VanDerWaalsContact O-CG2 3.22Å; A332-T353 WeakPolarHBondContact O-CG2 3.24Å; A332-V356 HydrophobicContact CB-CB 4.5Å; A332-V356 HydrophobicContact CB-CG1 4.13Å; A332-M357 HydrophobicContact CB-CG 3.5Å; A332-M357 VanDerWaalsContact CB-CG 3.5Å; A332-M357 HydrophobicContact CB-SD 4.12Å
333E87.5Confident80.9Confident73 Ų7363 Ų6334%0.34132%0.317SS..Hα-helixtrans-61.5-49.9173.2-176.8171.5-117.300110.9Y329 V330 F335 L336 E337 M357Y329-E333 HydrophobicContact CE1-CB 4.5Å; Y329-E333 WeakPolarHBondContact O-CB 2.77Å; Y329-E333 PolarHBondContact O-N 3.33Å; V330-E333 PolarHBondContact O-N 3.19Å; E333-F335 PolarHBondContact O-N 2.55Å; E333-L336 WeakPolarHBondContact O-CA 3.43Å; E333-L336 PolarHBondContact O-N 2.88Å; E333-E337 WeakPolarHBondContact O-CG 3.34Å; E333-E337 PolarHBondContact O-N 2.78Å; E333-M357 HydrophobicContact CB-CE 4.2Å
334G83Confident80.9Confident34 Ų3459.8 Ų59.835%0.35129%0.293SS..Hα-helixtrans-61.9-28.717500000113.6V330 K338V330-G334 PolarHBondContact O-N 2.76Å; G334-K338 WeakPolarHBondContact O-CB 3.46Å; G334-K338 PolarHBondContact O-N 2.97Å
335F81.4Confident81.1Confident16 Ų1656.4 Ų56.47%0.0729%0.29CS..Hα-helixtrans-66.6-48169175.6-83.9000111.2V293 L294 A331 A332 E333 K338 H339 L343 Q349 T353V293-F335 HydrophobicContact CG1-CZ 4.27Å; L294-F335 WeakPolarHBondContact O-CD2 3.37Å; L294-F335 WeakPolarHBondContact O-CE2 3.49Å; A331-F335 PolarHBondContact O-N 3.41Å; A331-F335 VanDerWaalsContact O-N 3.1Å; A332-F335 WeakPolarHBondContact O-CB 3.44Å; A332-F335 PolarHBondContact O-N 3.44Å; E333-F335 PolarHBondContact O-N 2.55Å; F335-K338 PolarHBondContact O-N 2.88Å; F335-H339 AromaticContact CD2-CD2 3.38Å; F335-H339 WeakPolarHBondContact CD2-CD2 3.49Å; F335-H339 AromaticContact CD2-NE2 3.94Å; F335-H339 HydrophobicContact CE1-CB 4.31Å; F335-H339 AromaticContact CE2-CD2 3.29Å; F335-H339 WeakPolarHBondContact CE2-CD2 3.31Å; F335-H339 AromaticContact CE2-NE2 3.81Å; F335-H339 AromaticContact CG-CD2 3.87Å; F335-H339 HydrophobicContact CZ-CB 4.33Å; F335-H339 AromaticContact CZ-CD2 3.76Å; F335-H339 VanDerWaalsContact O-CB 3.31Å; F335-H339 WeakPolarHBondContact O-CB 3.36Å; F335-H339 PolarHBondContact O-CD2 3.37Å; F335-H339 PolarHBondContact O-N 2.82Å; F335-H339 VanDerWaalsContact O-N 3.1Å; F335-L343 HydrophobicContact CE1-CD1 3.83Å; F335-L343 HydrophobicContact CZ-CD1 3.93Å; F335-Q349 HydrophobicContact CE1-CB 4.31Å; F335-Q349 HydrophobicContact CZ-CB 4.06Å; F335-T353 HydrophobicContact CB-CG2 4.47Å; F335-T353 HydrophobicContact CD1-CG2 3.83Å; F335-T353 WeakPolarHBondContact CD1-OG1 3.36Å; F335-T353 WeakPolarHBondContact CE1-OG1 3.5Å; F335-T353 HydrophobicContact CG-CG2 4.5Å
336L83.6Confident81.2Confident30 Ų3057 Ų5716%0.15729%0.294CS..Hα-helixtrans-60.3-49.5177.6-69.6-175.6000110.9A332 E333 K338 H339 E340 L350 T353 M357A332-L336 PolarHBondContact O-N 3.26Å; E333-L336 WeakPolarHBondContact O-CA 3.43Å; E333-L336 PolarHBondContact O-N 2.88Å; L336-K338 PolarHBondContact O-N 2.73Å; L336-H339 CarbonylContact O-C 3.58Å; L336-H339 PolarHBondContact O-N 3.47Å; L336-E340 WeakPolarHBondContact O-CA 3.4Å; L336-E340 WeakPolarHBondContact O-CB 3.44Å; L336-E340 PolarHBondContact O-N 3.29Å; L336-L350 HydrophobicContact CD2-CD2 3.57Å; L336-T353 HydrophobicContact CD1-CG2 4.36Å; L336-T353 HydrophobicContact CD2-CG2 3.79Å; L336-T353 HydrophobicContact CG-CG2 3.7Å; L336-M357 HydrophobicContact CD1-CE 4.08Å; L336-M357 HydrophobicContact CD1-SD 3.38Å; L336-M357 WeakPolarHBondContact CD1-SD 3.21Å; L336-M357 HydrophobicContact CG-SD 4.15Å
337E84Confident81.3Confident139 Ų13953.2 Ų53.265%0.6527%0.273SS*.Hα-helixtrans-55.6-40.3179.5-70.5178.7169.700112.5E333 H339E333-E337 WeakPolarHBondContact O-CG 3.34Å; E333-E337 PolarHBondContact O-N 2.78Å; E337-H339 VanDerWaalsContact C-N 3.34Å
338K74.9Confident81.4Confident129 Ų12945.8 Ų45.856%0.56125%0.245SC*.Hα-helixtrans-71.1-29.3178.7-173.6178175-167.70113G334 F335 L336G334-K338 WeakPolarHBondContact O-CB 3.46Å; G334-K338 PolarHBondContact O-N 2.97Å; F335-K338 PolarHBondContact O-N 2.88Å; L336-K338 PolarHBondContact O-N 2.73Å
339H76Confident81.6Confident8 Ų845.3 Ų45.34%0.03724%0.242CC..Hα-helixtrans-121.7-7.1-164.5-66.3-58.8000114.9T292 F335 L336 E337 N341 T342 L343T292-H339 PolarHBondContact O-CE1 3.35Å; F335-H339 AromaticContact CD2-CD2 3.38Å; F335-H339 WeakPolarHBondContact CD2-CD2 3.49Å; F335-H339 AromaticContact CD2-NE2 3.94Å; F335-H339 HydrophobicContact CE1-CB 4.31Å; F335-H339 AromaticContact CE2-CD2 3.29Å; F335-H339 WeakPolarHBondContact CE2-CD2 3.31Å; F335-H339 AromaticContact CE2-NE2 3.81Å; F335-H339 AromaticContact CG-CD2 3.87Å; F335-H339 HydrophobicContact CZ-CB 4.33Å; F335-H339 AromaticContact CZ-CD2 3.76Å; F335-H339 VanDerWaalsContact O-CB 3.31Å; F335-H339 WeakPolarHBondContact O-CB 3.36Å; F335-H339 PolarHBondContact O-CD2 3.37Å; F335-H339 PolarHBondContact O-N 2.82Å; F335-H339 VanDerWaalsContact O-N 3.1Å; L336-H339 CarbonylContact O-C 3.58Å; L336-H339 PolarHBondContact O-N 3.47Å; E337-H339 VanDerWaalsContact C-N 3.34Å; H339-N341 VanDerWaalsContact C-N 3.26Å; H339-N341 PolarHBondContact O-N 3.13Å; H339-T342 CarbonylContact O-C 3.51Å; H339-T342 WeakPolarHBondContact O-CA 3.46Å; H339-T342 PolarHBondContact O-N 2.85Å; H339-L343 HydrophobicContact CB-CD1 3.87Å; H339-L343 HydrophobicContact CB-CG 3.91Å; H339-L343 WeakPolarHBondContact O-CG 3.18Å; H339-L343 PolarHBondContact O-N 3.31Å
340E73.9Confident81.6Confident138 Ų13845 Ų4565%0.64524%0.242SC*.THydrogen-bonded Turntrans-58.5-37.1-175.5-178.7172.1-154.700112.5L336 T342L336-E340 WeakPolarHBondContact O-CA 3.4Å; L336-E340 WeakPolarHBondContact O-CB 3.44Å; L336-E340 PolarHBondContact O-N 3.29Å; E340-T342 VanDerWaalsContact C-N 3.34Å
341N74.2Confident81.6Confident136 Ų13641.6 Ų41.673%0.72722%0.221SC*.THydrogen-bonded Turntrans-86.2-6.8177.6-63-49000113.9T263 H339T263-N341 PolarHBondContact OG1-O 3.34Å; H339-N341 VanDerWaalsContact C-N 3.26Å; H339-N341 PolarHBondContact O-N 3.13Å
342T77.6Confident81.8Confident10 Ų1041.1 Ų41.16%0.06121%0.213CC..THydrogen-bonded Turntrans-106.9-35.2-176.8-57.20000111.5C262 T263 P265 A291 H339 E340C262-T342 CarbonylContact C-O 3.6Å; C262-T342 VanDerWaalsContact C-O 3.3Å; C262-T342 WeakPolarHBondContact CA-O 3.43Å; C262-T342 HydrophobicContact CB-CG2 3.93Å; C262-T342 WeakPolarHBondContact CB-O 3.39Å; T263-T342 PolarHBondContact N-O 3.16Å; T263-T342 WeakPolarHBondContact O-CG2 3.25Å; T263-T342 WeakPolarHBondContact OG1-CA 3.21Å; T263-T342 PolarHBondContact OG1-O 2.96Å; P265-T342 HydrophobicContact CG-CG2 4.04Å; A291-T342 HydrophobicContact CB-CG2 4.17Å; H339-T342 CarbonylContact O-C 3.51Å; H339-T342 WeakPolarHBondContact O-CA 3.46Å; H339-T342 PolarHBondContact O-N 2.85Å; E340-T342 VanDerWaalsContact C-N 3.34Å
343L80.6Confident81.8Confident6 Ų641.1 Ų41.13%0.03121%0.213CC..BIsolated β-bridgetrans-84.7138.8179.9-60.3-179.8000110.1C262 V293 F335 H339 H347 Q349 L350C262-L343 WeakPolarHBondContact SG-CD2 3.41Å; V293-L343 HydrophobicContact CG1-CD2 4.34Å; V293-L343 HydrophobicContact CG2-CD2 3.84Å; F335-L343 HydrophobicContact CE1-CD1 3.83Å; F335-L343 HydrophobicContact CZ-CD1 3.93Å; H339-L343 HydrophobicContact CB-CD1 3.87Å; H339-L343 HydrophobicContact CB-CG 3.91Å; H339-L343 WeakPolarHBondContact O-CG 3.18Å; H339-L343 PolarHBondContact O-N 3.31Å; L343-H347 HydrophobicContact CB-CB 3.9Å; L343-Q349 HydrophobicContact CD1-CB 4.43Å; L343-L350 HydrophobicContact CB-CD1 4.27Å; L343-L350 HydrophobicContact CB-CD2 4.42Å; L343-L350 HydrophobicContact CB-CG 4.34Å; L343-L350 HydrophobicContact CD1-CD2 3.79Å; L343-L350 HydrophobicContact CD1-CG 4.04Å
344L82.9Confident81.9Confident14 Ų1438 Ų387%0.07320%0.198CC..  trans-58.6146.4167.1-69.6-178.5000110.4S261 T263 E273 T346 H347 L350S261-L344 WeakPolarHBondContact O-CG 3.27Å; S261-L344 PolarHBondContact O-N 2.97Å; T263-L344 HydrophobicContact CG2-CD2 4.05Å; E273-L344 HydrophobicContact CG-CD1 4.48Å; E273-L344 HydrophobicContact CG-CD2 4.07Å; E273-L344 WeakPolarHBondContact OE1-CD2 3.4Å; L344-T346 PolarHBondContact O-N 3.26Å; L344-H347 WeakPolarHBondContact O-CB 3.39Å; L344-H347 PolarHBondContact O-N 3.36Å; L344-L350 WeakPolarHBondContact O-CD1 3.17Å
345P84.5Confident82Confident78 Ų7837.5 Ų37.551%0.50619%0.189SC..THydrogen-bonded Turntrans-55.7-24.3-179-28.635.5000114W379 R380P345-W379 HydrophobicContact CB-CH2 4.07Å; P345-W379 HydrophobicContact CB-CZ3 4.35Å; P345-R380 PolarHBondContact O-NE 2.77Å
346T82.8Confident82.1Confident16 Ų1636.9 Ų36.910%0.09819%0.187CC..THydrogen-bonded Turntrans-82.1-26175.747.50000113.2L258 L344 R383 Y384L258-T346 PolarHBondContact O-OG1 2.83Å; L344-T346 PolarHBondContact O-N 3.26Å; T346-R383 HydrophobicContact CG2-CB 4.42Å; T346-Y384 WeakPolarHBondContact O-CE2 3.42Å; T346-Y384 PolarHBondContact O-OH 3.43Å
347H85.8Confident82.4Confident0 Ų035.9 Ų35.90%018%0.182CC..  trans-40.2134.4-164.5-169.3-87.1000114.7S260 S261 L343 L344 Q349 L350S260-H347 VanDerWaalsContact C-CD2 3.42Å; S260-H347 WeakPolarHBondContact CA-NE2 3.43Å; S260-H347 PolarHBondContact O-NE2 3.46Å; S261-H347 PolarHBondContact O-CD2 2.92Å; L343-H347 HydrophobicContact CB-CB 3.9Å; L344-H347 WeakPolarHBondContact O-CB 3.39Å; L344-H347 PolarHBondContact O-N 3.36Å; H347-Q349 VanDerWaalsContact CE1-CG 3.44Å; H347-Q349 WeakPolarHBondContact CE1-CG 3.19Å; H347-Q349 WeakPolarHBondContact ND1-CB 3.4Å; H347-Q349 PolarHBondContact ND1-N 2.91Å; H347-Q349 VanDerWaalsContact ND1-N 3.19Å; H347-Q349 PolarHBondContact O-N 3.3Å; H347-L350 HydrophobicContact CB-CD1 4.3Å; H347-L350 HydrophobicContact CB-CG 4.37Å; H347-L350 WeakPolarHBondContact O-CB 3.47Å; H347-L350 PolarHBondContact O-N 3.47Å
348V84.5Confident82.7Confident3 Ų329.3 Ų29.32%0.01815%0.151CC..Hα-helixtrans-58.8-29.7-169.971.40000113.6I227 E259 L350 I351 R352 Y384I227-V348 HydrophobicContact CG2-CG2 3.47Å; I227-V348 VanDerWaalsContact CG2-CG2 3.47Å; E259-V348 WeakPolarHBondContact O-CB 3.35Å; E259-V348 WeakPolarHBondContact O-CG1 3.44Å; E259-V348 PolarHBondContact O-N 3.43Å; V348-L350 VanDerWaalsContact C-N 3.32Å; V348-L350 PolarHBondContact O-N 2.8Å; V348-I351 PolarHBondContact O-N 3.46Å; V348-R352 PolarHBondContact O-N 3.24Å; V348-Y384 PolarHBondContact N-OH 3.13Å
349Q82.4Confident83.2Confident0 Ų026.2 Ų26.20%014%0.138CC..Hα-helixtrans-68.5-29.1177.7-63.5-61.7-11.400113.3N278 V293 C295 P296 F335 L343 H347 I351 R352 T353N278-Q349 PolarHBondContact ND2-NE2 3.46Å; N278-Q349 WeakPolarHBondContact OD1-CG 3.48Å; N278-Q349 PolarHBondContact OD1-NE2 3.44Å; V293-Q349 HydrophobicContact CG1-CG 3.97Å; C295-Q349 PolarHBondContact SG-NE2 3.41Å; C295-Q349 PolarHBondContact SG-OE1 2.56Å; C295-Q349 VanDerWaalsContact SG-OE1 3.36Å; P296-Q349 VanDerWaalsContact CD-OE1 3.23Å; F335-Q349 HydrophobicContact CE1-CB 4.31Å; F335-Q349 HydrophobicContact CZ-CB 4.06Å; L343-Q349 HydrophobicContact CD1-CB 4.43Å; H347-Q349 VanDerWaalsContact CE1-CG 3.44Å; H347-Q349 WeakPolarHBondContact CE1-CG 3.19Å; H347-Q349 WeakPolarHBondContact ND1-CB 3.4Å; H347-Q349 PolarHBondContact ND1-N 2.91Å; H347-Q349 VanDerWaalsContact ND1-N 3.19Å; H347-Q349 PolarHBondContact O-N 3.3Å; Q349-I351 VanDerWaalsContact C-N 3.33Å; Q349-I351 PolarHBondContact O-N 3.19Å; Q349-R352 VanDerWaalsContact NE2-NH1 3.16Å; Q349-R352 PolarHBondContact O-N 2.87Å; Q349-R352 VanDerWaalsContact O-N 3.13Å; Q349-T353 WeakPolarHBondContact O-CB 3.44Å; Q349-T353 PolarHBondContact O-N 3Å; Q349-T353 PolarHBondContact O-OG1 3.2Å
350L85.9Confident83.6Confident10 Ų1025.9 Ų25.95%0.05214%0.136CC..Hα-helixtrans-62.1-43.2175.3-63.6174.5000110.7L336 L343 L344 H347 V348 R352 T353 E354L336-L350 HydrophobicContact CD2-CD2 3.57Å; L343-L350 HydrophobicContact CB-CD1 4.27Å; L343-L350 HydrophobicContact CB-CD2 4.42Å; L343-L350 HydrophobicContact CB-CG 4.34Å; L343-L350 HydrophobicContact CD1-CD2 3.79Å; L343-L350 HydrophobicContact CD1-CG 4.04Å; L344-L350 WeakPolarHBondContact O-CD1 3.17Å; H347-L350 HydrophobicContact CB-CD1 4.3Å; H347-L350 HydrophobicContact CB-CG 4.37Å; H347-L350 WeakPolarHBondContact O-CB 3.47Å; H347-L350 PolarHBondContact O-N 3.47Å; V348-L350 VanDerWaalsContact C-N 3.32Å; V348-L350 PolarHBondContact O-N 2.8Å; L350-R352 VanDerWaalsContact C-N 3.27Å; L350-R352 PolarHBondContact O-N 3Å; L350-T353 PolarHBondContact O-N 2.95Å; L350-E354 VanDerWaalsContact O-CB 3.32Å; L350-E354 WeakPolarHBondContact O-CB 3.48Å; L350-E354 VanDerWaalsContact O-CG 3.28Å; L350-E354 WeakPolarHBondContact O-CG 3.28Å; L350-E354 PolarHBondContact O-N 3.47Å
351I85.2Confident84.4Confident4 Ų419.3 Ų19.32%0.02111%0.106CC..Hα-helixtrans-57.4-42.8174.7-64.5168.6000111.1I227 V348 Q349 S355 I377 R380 L381 Y384I227-I351 HydrophobicContact CD1-CG2 4.04Å; I227-I351 HydrophobicContact CG2-CG2 4.29Å; V348-I351 PolarHBondContact O-N 3.46Å; Q349-I351 VanDerWaalsContact C-N 3.33Å; Q349-I351 PolarHBondContact O-N 3.19Å; I351-S355 VanDerWaalsContact O-CB 3.23Å; I351-S355 WeakPolarHBondContact O-CB 3.35Å; I351-S355 PolarHBondContact O-N 3.06Å; I351-I377 HydrophobicContact CG2-CG2 4.08Å; I351-R380 HydrophobicContact CD1-CB 3.83Å; I351-R380 HydrophobicContact CG1-CB 3.61Å; I351-R380 HydrophobicContact CG1-CG 4.27Å; I351-L381 HydrophobicContact CD1-CD2 4.09Å; I351-Y384 HydrophobicContact CD1-CD2 3.61Å; I351-Y384 HydrophobicContact CD1-CE2 3.37Å
352R82.7Confident85.1Confident19 Ų1914.5 Ų14.57%0.0728%0.077CC..Hα-helixtrans-70.5-46.1-176.8-68.6176.3173.7158.5-3.1111.7I227 E232 N278 P296 M300 V348 Q349 L350 S355 V356I227-R352 PolarHBondContact O-NH2 3.36Å; E232-R352 IonicContact OE1-CZ 2.71Å; E232-R352 IonicContact OE1-NH1 3.56Å; E232-R352 IonicContact OE1-NH2 3.52Å; E232-R352 PolarHBondContact OE1-NH2 2.99Å; E232-R352 IonicContact OE2-CZ 2.64Å; E232-R352 IonicContact OE2-NH1 2.68Å; E232-R352 PolarHBondContact OE2-NH1 3.14Å; E232-R352 IonicContact OE2-NH2 3.57Å; E232-R352 PolarHBondContact OE2-NH2 3.3Å; N278-R352 PolarHBondContact ND2-NH1 2.84Å; N278-R352 VanDerWaalsContact ND2-NH1 3.16Å; P296-R352 HydrophobicContact CG-CB 4.31Å; M300-R352 HydrophobicContact CE-CB 3.82Å; M300-R352 HydrophobicContact CE-CG 3.92Å; M300-R352 HydrophobicContact SD-CB 4.09Å; M300-R352 HydrophobicContact SD-CG 4.09Å; V348-R352 PolarHBondContact O-N 3.24Å; Q349-R352 VanDerWaalsContact NE2-NH1 3.16Å; Q349-R352 PolarHBondContact O-N 2.87Å; Q349-R352 VanDerWaalsContact O-N 3.13Å; L350-R352 VanDerWaalsContact C-N 3.27Å; L350-R352 PolarHBondContact O-N 3Å; R352-S355 WeakPolarHBondContact O-CB 3.46Å; R352-S355 PolarHBondContact O-N 3.18Å; R352-V356 PolarHBondContact O-N 3.23Å; R352-V356 VanDerWaalsContact O-N 3.13Å
353T85Confident85.5Confident0 Ų014.8 Ų14.80%08%0.078CC..Hα-helixtrans-62.7-50.1178.6-55.10000110.9A332 F335 L336 Q349 L350 S355 V356 M357A332-T353 HydrophobicContact CB-CG2 3.71Å; A332-T353 VanDerWaalsContact O-CG2 3.22Å; A332-T353 WeakPolarHBondContact O-CG2 3.24Å; F335-T353 HydrophobicContact CB-CG2 4.47Å; F335-T353 HydrophobicContact CD1-CG2 3.83Å; F335-T353 WeakPolarHBondContact CD1-OG1 3.36Å; F335-T353 WeakPolarHBondContact CE1-OG1 3.5Å; F335-T353 HydrophobicContact CG-CG2 4.5Å; L336-T353 HydrophobicContact CD1-CG2 4.36Å; L336-T353 HydrophobicContact CD2-CG2 3.79Å; L336-T353 HydrophobicContact CG-CG2 3.7Å; Q349-T353 WeakPolarHBondContact O-CB 3.44Å; Q349-T353 PolarHBondContact O-N 3Å; Q349-T353 PolarHBondContact O-OG1 3.2Å; L350-T353 PolarHBondContact O-N 2.95Å; T353-S355 VanDerWaalsContact C-N 3.27Å; T353-S355 PolarHBondContact O-N 3.08Å; T353-V356 WeakPolarHBondContact O-CB 3.43Å; T353-V356 PolarHBondContact O-N 2.84Å; T353-V356 VanDerWaalsContact O-N 3.08Å; T353-M357 HydrophobicContact CG2-SD 4.27Å; T353-M357 WeakPolarHBondContact O-CG 3.4Å; T353-M357 PolarHBondContact O-N 3.42Å
354E89.1Confident85.7Confident8 Ų817.6 Ų17.64%0.0379%0.09CC..Hα-helixtrans-62.7-34.7176.8-69.7176.415000111.7L350 V356 M357 A358 L373 N376 I377 R380L350-E354 VanDerWaalsContact O-CB 3.32Å; L350-E354 WeakPolarHBondContact O-CB 3.48Å; L350-E354 VanDerWaalsContact O-CG 3.28Å; L350-E354 WeakPolarHBondContact O-CG 3.28Å; L350-E354 PolarHBondContact O-N 3.47Å; E354-V356 VanDerWaalsContact C-N 3.29Å; E354-V356 PolarHBondContact O-N 3.12Å; E354-M357 PolarHBondContact O-N 2.91Å; E354-A358 WeakPolarHBondContact O-CB 3.43Å; E354-A358 PolarHBondContact O-N 3.33Å; E354-L373 HydrophobicContact CB-CD2 4.24Å; E354-L373 HydrophobicContact CG-CD2 4.04Å; E354-N376 WeakPolarHBondContact OE1-CB 3.41Å; E354-N376 PolarHBondContact OE1-ND2 3.42Å; E354-N376 VanDerWaalsContact OE1-ND2 3.1Å; E354-I377 HydrophobicContact CB-CD1 3.94Å; E354-I377 HydrophobicContact CB-CG1 3.8Å; E354-R380 IonicContact OE1-CZ 3.18Å; E354-R380 IonicContact OE1-NH1 3.49Å; E354-R380 PolarHBondContact OE1-NH1 3.37Å; E354-R380 IonicContact OE1-NH2 2.72Å; E354-R380 IonicContact OE2-CZ 2.72Å; E354-R380 IonicContact OE2-NH1 3.54Å; E354-R380 PolarHBondContact OE2-NH1 3.27Å
355S86.1Confident85.9Confident23 Ų2318.4 Ų18.416%0.16110%0.102CC..Hα-helixtrans-63.5-36.5175.4-172.10000112.1I351 R352 T353 K359I351-S355 VanDerWaalsContact O-CB 3.23Å; I351-S355 WeakPolarHBondContact O-CB 3.35Å; I351-S355 PolarHBondContact O-N 3.06Å; R352-S355 WeakPolarHBondContact O-CB 3.46Å; R352-S355 PolarHBondContact O-N 3.18Å; T353-S355 VanDerWaalsContact C-N 3.27Å; T353-S355 PolarHBondContact O-N 3.08Å; S355-K359 WeakPolarHBondContact O-CD 3.39Å; S355-K359 VanDerWaalsContact O-CG 3.25Å; S355-K359 WeakPolarHBondContact O-CG 3.26Å; S355-K359 PolarHBondContact O-N 2.7Å
356V82.9Confident86.3Confident3 Ų317 Ų172%0.0189%0.094CC..Hα-helixtrans-66.6-48.8173.9170.10000110.4L299 M300 M328 A332 R352 T353 E354 K359 A360L299-V356 HydrophobicContact CB-CG1 4.49Å; M300-V356 HydrophobicContact CB-CG2 4.36Å; M300-V356 HydrophobicContact CG-CG2 3.94Å; M328-V356 HydrophobicContact CB-CG1 4.18Å; M328-V356 HydrophobicContact CE-CG1 3.62Å; A332-V356 HydrophobicContact CB-CB 4.5Å; A332-V356 HydrophobicContact CB-CG1 4.13Å; R352-V356 PolarHBondContact O-N 3.23Å; R352-V356 VanDerWaalsContact O-N 3.13Å; T353-V356 WeakPolarHBondContact O-CB 3.43Å; T353-V356 PolarHBondContact O-N 2.84Å; T353-V356 VanDerWaalsContact O-N 3.08Å; E354-V356 VanDerWaalsContact C-N 3.29Å; E354-V356 PolarHBondContact O-N 3.12Å; V356-K359 PolarHBondContact O-N 2.78Å; V356-A360 PolarHBondContact O-N 2.86Å
357M89.7Confident86.8Confident10 Ų1019.6 Ų19.65%0.04910%0.102CC..Hα-helixtrans-61.5-47.3179.3-67.1174.87200111.7Y329 A332 E333 L336 T353 E354 K359 A360 A361 L373Y329-M357 HydrophobicContact CD2-CB 4.12Å; Y329-M357 HydrophobicContact CD2-CG 4.32Å; Y329-M357 HydrophobicContact CE1-CE 4.15Å; Y329-M357 HydrophobicContact CE2-CB 3.76Å; Y329-M357 HydrophobicContact CE2-CE 4.07Å; Y329-M357 HydrophobicContact CE2-CG 4.16Å; Y329-M357 WeakPolarHBondContact OH-CE 3.28Å; A332-M357 HydrophobicContact CB-CG 3.5Å; A332-M357 VanDerWaalsContact CB-CG 3.5Å; A332-M357 HydrophobicContact CB-SD 4.12Å; E333-M357 HydrophobicContact CB-CE 4.2Å; L336-M357 HydrophobicContact CD1-CE 4.08Å; L336-M357 HydrophobicContact CD1-SD 3.38Å; L336-M357 WeakPolarHBondContact CD1-SD 3.21Å; L336-M357 HydrophobicContact CG-SD 4.15Å; T353-M357 HydrophobicContact CG2-SD 4.27Å; T353-M357 WeakPolarHBondContact O-CG 3.4Å; T353-M357 PolarHBondContact O-N 3.42Å; E354-M357 PolarHBondContact O-N 2.91Å; M357-K359 VanDerWaalsContact C-N 3.3Å; M357-K359 PolarHBondContact O-N 2.82Å; M357-A360 PolarHBondContact O-N 2.97Å; M357-A360 VanDerWaalsContact O-N 3.11Å; M357-A361 VanDerWaalsContact O-CB 3.31Å; M357-A361 WeakPolarHBondContact O-CB 3.21Å; M357-A361 PolarHBondContact O-N 2.82Å; M357-L373 HydrophobicContact CB-CD1 3.66Å; M357-L373 HydrophobicContact CB-CD2 4.34Å
358A89.9Confident87.2Confident0 Ų025 Ų250%013%0.13CC..Hα-helixtrans-60.7-39.6-178.700000111.9E354 Y362 L373 Y374E354-A358 WeakPolarHBondContact O-CB 3.43Å; E354-A358 PolarHBondContact O-N 3.33Å; A358-Y362 VanDerWaalsContact O-CB 3.31Å; A358-Y362 WeakPolarHBondContact O-CB 3.43Å; A358-Y362 PolarHBondContact O-N 3.1Å; A358-L373 HydrophobicContact CB-CB 3.72Å; A358-L373 HydrophobicContact CB-CD1 4.25Å; A358-Y374 HydrophobicContact CB-CD1 4.48Å; A358-Y374 HydrophobicContact CB-CD2 3.81Å; A358-Y374 HydrophobicContact CB-CE1 4.33Å; A358-Y374 HydrophobicContact CB-CE2 3.62Å; A358-Y374 HydrophobicContact CB-CG 4.22Å
359K85.2Confident87.7Confident65 Ų6528.5 Ų28.528%0.28315%0.146SC..Hα-helixtrans-66.4-45.7174.5-73.8170.2-172.8164.40111.7S355 V356 M357 Y362 F363S355-K359 WeakPolarHBondContact O-CD 3.39Å; S355-K359 VanDerWaalsContact O-CG 3.25Å; S355-K359 WeakPolarHBondContact O-CG 3.26Å; S355-K359 PolarHBondContact O-N 2.7Å; V356-K359 PolarHBondContact O-N 2.78Å; M357-K359 VanDerWaalsContact C-N 3.3Å; M357-K359 PolarHBondContact O-N 2.82Å; K359-Y362 WeakPolarHBondContact O-CB 3.4Å; K359-Y362 PolarHBondContact O-N 3Å; K359-F363 WeakPolarHBondContact O-CD2 3.2Å; K359-F363 PolarHBondContact O-N 3.01Å
360A85.2Confident88.2Confident1 Ų128.5 Ų28.51%0.00815%0.146CC..Hα-helixtrans-65.2-45.1178.600000111.6Y329 V356 M357 Y362 F363 K364Y329-A360 HydrophobicContact CD2-CB 3.85Å; Y329-A360 HydrophobicContact CG-CB 4.45Å; V356-A360 PolarHBondContact O-N 2.86Å; M357-A360 PolarHBondContact O-N 2.97Å; M357-A360 VanDerWaalsContact O-N 3.11Å; A360-Y362 PolarHBondContact O-N 3.08Å; A360-F363 PolarHBondContact O-N 3.14Å; A360-K364 WeakPolarHBondContact O-CB 3.37Å; A360-K364 VanDerWaalsContact O-CG 3.31Å; A360-K364 WeakPolarHBondContact O-CG 3.36Å; A360-K364 PolarHBondContact O-N 3.06Å
361A90.6Very high88.6Confident0 Ų028 Ų280%014%0.144CC..Hα-helixtrans-56-47172.600000111.5Y329 M357 F363 K364 G365 S366 E369 A370Y329-A361 HydrophobicContact CE2-CB 4.21Å; M357-A361 VanDerWaalsContact O-CB 3.31Å; M357-A361 WeakPolarHBondContact O-CB 3.21Å; M357-A361 PolarHBondContact O-N 2.82Å; A361-F363 PolarHBondContact O-N 3.34Å; A361-K364 PolarHBondContact O-N 3.12Å; A361-G365 PolarHBondContact O-N 3.24Å; A361-S366 PolarHBondContact O-N 3.07Å; A361-E369 HydrophobicContact CB-CB 4.46Å; A361-E369 HydrophobicContact CB-CG 4.14Å; A361-A370 HydrophobicContact CB-CB 3.96Å
362Y89.1Confident89.1Confident35 Ų3530.1 Ų30.114%0.13716%0.159CC..Hα-helixtrans-55.4-49.4174.8172.3-96.4000112.6F307 K311 A358 K359 A360 K364 G365 Y367 L402 M405F307-Y362 HydrophobicContact CD1-CE1 4.4Å; F307-Y362 HydrophobicContact CE1-CD1 4.01Å; F307-Y362 AromaticContact CE1-CE1 3.21Å; F307-Y362 HydrophobicContact CE1-CE1 3.21Å; F307-Y362 AromaticContact CE1-CZ 3.63Å; F307-Y362 HydrophobicContact CE2-CD1 4.27Å; F307-Y362 HydrophobicContact CE2-CE1 4.27Å; F307-Y362 AromaticContact CZ-CD1 3.41Å; F307-Y362 HydrophobicContact CZ-CD1 3.41Å; F307-Y362 VanDerWaalsContact CZ-CD1 3.41Å; F307-Y362 AromaticContact CZ-CE1 3.12Å; F307-Y362 HydrophobicContact CZ-CE1 3.12Å; F307-Y362 HydrophobicContact CZ-CG 4.29Å; F307-Y362 AromaticContact CZ-CZ 3.78Å; K311-Y362 PolarHBondContact NZ-OH 3.16Å; A358-Y362 VanDerWaalsContact O-CB 3.31Å; A358-Y362 WeakPolarHBondContact O-CB 3.43Å; A358-Y362 PolarHBondContact O-N 3.1Å; K359-Y362 WeakPolarHBondContact O-CB 3.4Å; K359-Y362 PolarHBondContact O-N 3Å; A360-Y362 PolarHBondContact O-N 3.08Å; Y362-K364 VanDerWaalsContact C-N 3.33Å; Y362-K364 PolarHBondContact O-N 3.08Å; Y362-G365 PolarHBondContact O-N 3.26Å; Y362-G365 VanDerWaalsContact O-N 3.16Å; Y362-Y367 HydrophobicContact CD2-CD1 4.08Å; Y362-Y367 HydrophobicContact CD2-CE1 4.02Å; Y362-Y367 HydrophobicContact CE2-CD1 4.45Å; Y362-Y367 HydrophobicContact CE2-CE1 4.12Å; Y362-L402 HydrophobicContact CD2-CD2 3.61Å; Y362-L402 HydrophobicContact CE2-CD2 4.22Å; Y362-M405 HydrophobicContact CE2-SD 4.31Å
363F85Confident89.6Confident15 Ų1530 Ų307%0.06616%0.16CC..Hα-helixtrans-70.2-30.1-178.4-73.8-58.1000112.4F307 I310 K311 V314 L325 K359 A360 A361 G365F307-F363 HydrophobicContact CD1-CE1 4.45Å; F307-F363 HydrophobicContact CD1-CZ 4.41Å; F307-F363 HydrophobicContact CD2-CE1 4.3Å; F307-F363 HydrophobicContact CD2-CE2 4.31Å; F307-F363 AromaticContact CD2-CZ 3.5Å; F307-F363 HydrophobicContact CD2-CZ 3.5Å; F307-F363 HydrophobicContact CE1-CE1 4.27Å; F307-F363 HydrophobicContact CE1-CZ 4.33Å; F307-F363 HydrophobicContact CE2-CE1 4.1Å; F307-F363 AromaticContact CE2-CE2 3.96Å; F307-F363 HydrophobicContact CE2-CE2 3.96Å; F307-F363 AromaticContact CE2-CZ 3.37Å; F307-F363 HydrophobicContact CE2-CZ 3.37Å; F307-F363 HydrophobicContact CG-CE1 4.48Å; F307-F363 HydrophobicContact CG-CZ 4.05Å; F307-F363 HydrophobicContact CZ-CE1 4.1Å; F307-F363 AromaticContact CZ-CZ 3.84Å; F307-F363 HydrophobicContact CZ-CZ 3.84Å; I310-F363 HydrophobicContact CB-CD1 4.42Å; I310-F363 HydrophobicContact CB-CE1 3.73Å; I310-F363 HydrophobicContact CB-CE2 4.46Å; I310-F363 HydrophobicContact CB-CZ 3.75Å; I310-F363 HydrophobicContact CD1-CE2 4.17Å; I310-F363 HydrophobicContact CD1-CZ 3.87Å; I310-F363 HydrophobicContact CG1-CZ 4.45Å; I310-F363 HydrophobicContact CG2-CD1 3.69Å; I310-F363 HydrophobicContact CG2-CD2 4.01Å; I310-F363 HydrophobicContact CG2-CE1 3.43Å; I310-F363 VanDerWaalsContact CG2-CE1 3.43Å; I310-F363 HydrophobicContact CG2-CE2 3.78Å; I310-F363 HydrophobicContact CG2-CG 3.98Å; I310-F363 HydrophobicContact CG2-CZ 3.48Å; I310-F363 VanDerWaalsContact CG2-CZ 3.48Å; K311-F363 HydrophobicContact CB-CE1 4.37Å; V314-F363 VanDerWaalsContact CG1-O 3.31Å; V314-F363 WeakPolarHBondContact CG1-O 3.49Å; V314-F363 HydrophobicContact CG2-CB 4.32Å; V314-F363 HydrophobicContact CG2-CD1 4.45Å; L325-F363 HydrophobicContact CD1-CB 3.62Å; L325-F363 HydrophobicContact CD1-CD2 4.39Å; L325-F363 HydrophobicContact CD1-CG 4.19Å; L325-F363 HydrophobicContact CD2-CD2 4.03Å; K359-F363 WeakPolarHBondContact O-CD2 3.2Å; K359-F363 PolarHBondContact O-N 3.01Å; A360-F363 PolarHBondContact O-N 3.14Å; A361-F363 PolarHBondContact O-N 3.34Å; F363-G365 PolarHBondContact O-N 3.42Å
364K84.7Confident90Very high65 Ų6531.9 Ų31.928%0.28317%0.167SC..Hα-helixtrans-73.6-13.6172.2-68.8178-170.9-1780113.5M322 N326 A360 A361 Y362M322-K364 HydrophobicContact CE-CG 4.08Å; N326-K364 WeakPolarHBondContact OD1-CE 3.41Å; N326-K364 PolarHBondContact OD1-NZ 3.47Å; A360-K364 WeakPolarHBondContact O-CB 3.37Å; A360-K364 VanDerWaalsContact O-CG 3.31Å; A360-K364 WeakPolarHBondContact O-CG 3.36Å; A360-K364 PolarHBondContact O-N 3.06Å; A361-K364 PolarHBondContact O-N 3.12Å; Y362-K364 VanDerWaalsContact C-N 3.33Å; Y362-K364 PolarHBondContact O-N 3.08Å
365G87.9Confident90.3Very high32 Ų3233.9 Ų33.933%0.3318%0.176SC..THydrogen-bonded Turntrans90.85.9-177.200000114.6A361 Y362 F363 Y367A361-G365 PolarHBondContact O-N 3.24Å; Y362-G365 PolarHBondContact O-N 3.26Å; Y362-G365 VanDerWaalsContact O-N 3.16Å; F363-G365 PolarHBondContact O-N 3.42Å; G365-Y367 VanDerWaalsContact C-N 3.25Å; G365-Y367 WeakPolarHBondContact O-CD2 3.47Å; G365-Y367 WeakPolarHBondContact O-CE2 3.26Å; G365-Y367 PolarHBondContact O-N 2.97Å
366S92.1Very high90.5Very high49 Ų4936.3 Ų36.334%0.34319%0.188SC..  trans-78.268.7175.1-56.50000110.7A361 I368 E369 A370A361-S366 PolarHBondContact O-N 3.07Å; S366-I368 PolarHBondContact O-N 3.1Å; S366-E369 VanDerWaalsContact CB-OE2 3.28Å; S366-E369 WeakPolarHBondContact CB-OE2 3.26Å; S366-E369 PolarHBondContact O-N 2.9Å; S366-A370 WeakPolarHBondContact O-CB 3.47Å; S366-A370 PolarHBondContact O-N 2.79Å
367Y93.6Very high90.9Very high70 Ų7036.7 Ų36.728%0.27519%0.189SC..Hα-helixtrans-68.9-31.9-171.1-54.7-55.9000114.3Y362 G365 A371 L402 M405Y362-Y367 HydrophobicContact CD2-CD1 4.08Å; Y362-Y367 HydrophobicContact CD2-CE1 4.02Å; Y362-Y367 HydrophobicContact CE2-CD1 4.45Å; Y362-Y367 HydrophobicContact CE2-CE1 4.12Å; G365-Y367 VanDerWaalsContact C-N 3.25Å; G365-Y367 WeakPolarHBondContact O-CD2 3.47Å; G365-Y367 WeakPolarHBondContact O-CE2 3.26Å; G365-Y367 PolarHBondContact O-N 2.97Å; Y367-A371 WeakPolarHBondContact O-CB 3.33Å; Y367-A371 PolarHBondContact O-N 2.88Å; Y367-L402 HydrophobicContact CD1-CD2 3.9Å; Y367-M405 HydrophobicContact CD1-CE 3.98Å; Y367-M405 HydrophobicContact CD1-SD 4.2Å; Y367-M405 HydrophobicContact CD2-CB 4.1Å; Y367-M405 HydrophobicContact CD2-CE 4.18Å; Y367-M405 HydrophobicContact CE1-CE 3.35Å; Y367-M405 HydrophobicContact CE1-SD 4.05Å; Y367-M405 HydrophobicContact CE2-CE 3.59Å; Y367-M405 HydrophobicContact CG-CB 4.19Å; Y367-M405 HydrophobicContact CG-CE 4.37Å; Y367-M405 VanDerWaalsContact OH-CE 3.29Å; Y367-M405 WeakPolarHBondContact OH-CE 3.36Å
368I94.7Very high90.9Very high114 Ų11436.7 Ų36.759%0.58519%0.189SC*.Hα-helixtrans-63.9-51.2177.1-62.9173.8000109.8S366 A370 A371 S372 T406S366-I368 PolarHBondContact O-N 3.1Å; I368-A370 PolarHBondContact O-N 3.46Å; I368-A371 WeakPolarHBondContact O-CB 3.46Å; I368-A371 PolarHBondContact O-N 2.96Å; I368-S372 PolarHBondContact O-N 3.16Å; I368-S372 VanDerWaalsContact O-N 3.08Å; I368-S372 PolarHBondContact O-OG 2.67Å; I368-T406 HydrophobicContact CG1-CG2 3.59Å
369E94.6Very high91Very high75 Ų7541.3 Ų41.335%0.3521%0.207SC..Hα-helixtrans-60.7-45.2177177.4176-12400111.7Y329 A361 S366 A371 S372 L373Y329-E369 PolarHBondContact OH-OE1 2.71Å; A361-E369 HydrophobicContact CB-CB 4.46Å; A361-E369 HydrophobicContact CB-CG 4.14Å; S366-E369 VanDerWaalsContact CB-OE2 3.28Å; S366-E369 WeakPolarHBondContact CB-OE2 3.26Å; S366-E369 PolarHBondContact O-N 2.9Å; E369-A371 VanDerWaalsContact C-N 3.28Å; E369-A371 PolarHBondContact O-N 3.41Å; E369-S372 PolarHBondContact O-N 2.92Å; E369-L373 HydrophobicContact CG-CD1 3.99Å; E369-L373 WeakPolarHBondContact O-CG 3.3Å; E369-L373 PolarHBondContact O-N 3.05Å
370A93.6Very high91.1Very high0 Ų039.6 Ų39.60%020%0.199CC..Hα-helixtrans-58.9-39.6175.400000112.1A361 S366 I368 Y374 L402A361-A370 HydrophobicContact CB-CB 3.96Å; S366-A370 WeakPolarHBondContact O-CB 3.47Å; S366-A370 PolarHBondContact O-N 2.79Å; I368-A370 PolarHBondContact O-N 3.46Å; A370-Y374 WeakPolarHBondContact O-CD2 3.28Å; A370-Y374 PolarHBondContact O-N 2.98Å; A370-Y374 VanDerWaalsContact O-N 3.07Å; A370-L402 HydrophobicContact CB-CD1 3.97Å; A370-L402 HydrophobicContact CB-CD2 3.93Å
371A94.8Very high91.1Very high1 Ų139.7 Ų39.71%0.00820%0.199CC..Hα-helixtrans-64.2-50.3178.800000111Y367 I368 E369 L373 Y374 E375 V399 L402Y367-A371 WeakPolarHBondContact O-CB 3.33Å; Y367-A371 PolarHBondContact O-N 2.88Å; I368-A371 WeakPolarHBondContact O-CB 3.46Å; I368-A371 PolarHBondContact O-N 2.96Å; E369-A371 VanDerWaalsContact C-N 3.28Å; E369-A371 PolarHBondContact O-N 3.41Å; A371-L373 VanDerWaalsContact C-N 3.31Å; A371-L373 PolarHBondContact O-N 3.44Å; A371-Y374 PolarHBondContact O-N 3.25Å; A371-Y374 VanDerWaalsContact O-N 3.11Å; A371-E375 WeakPolarHBondContact O-CG 3.42Å; A371-E375 PolarHBondContact O-N 3.35Å; A371-V399 HydrophobicContact CB-CG1 4.36Å; A371-L402 HydrophobicContact CB-CB 3.89Å; A371-L402 HydrophobicContact CB-CD1 4.28Å
372S95.2Very high90.9Very high48 Ų4843.8 Ų43.834%0.33622%0.218SC..Hα-helixtrans-58.7-41.6178.2-57.70000112.2I368 E369 Y374 E375 N376I368-S372 PolarHBondContact O-N 3.16Å; I368-S372 VanDerWaalsContact O-N 3.08Å; I368-S372 PolarHBondContact O-OG 2.67Å; E369-S372 PolarHBondContact O-N 2.92Å; S372-Y374 PolarHBondContact O-N 3.14Å; S372-E375 PolarHBondContact O-N 3.07Å; S372-N376 PolarHBondContact O-N 3.29Å; S372-N376 VanDerWaalsContact O-N 3.08Å
373L93.6Very high90.6Very high16 Ų1647.9 Ų47.98%0.08423%0.234CC..Hα-helixtrans-64.8-38.4176.3-70.7164.7000112.4E354 M357 A358 E369 A371 N376 I377E354-L373 HydrophobicContact CB-CD2 4.24Å; E354-L373 HydrophobicContact CG-CD2 4.04Å; M357-L373 HydrophobicContact CB-CD1 3.66Å; M357-L373 HydrophobicContact CB-CD2 4.34Å; A358-L373 HydrophobicContact CB-CB 3.72Å; A358-L373 HydrophobicContact CB-CD1 4.25Å; E369-L373 HydrophobicContact CG-CD1 3.99Å; E369-L373 WeakPolarHBondContact O-CG 3.3Å; E369-L373 PolarHBondContact O-N 3.05Å; A371-L373 VanDerWaalsContact C-N 3.31Å; A371-L373 PolarHBondContact O-N 3.44Å; L373-N376 WeakPolarHBondContact O-CB 3.4Å; L373-I377 WeakPolarHBondContact O-CD1 3.44Å; L373-I377 VanDerWaalsContact O-CG1 3.28Å; L373-I377 WeakPolarHBondContact O-CG1 3.3Å; L373-I377 PolarHBondContact O-N 3.22Å; L373-I377 VanDerWaalsContact O-N 3.13Å
374Y92.6Very high90.2Very high39 Ų3948.1 Ų48.115%0.15323%0.234CC..Hα-helixtrans-70.9-32.6175.8-85.2-64.2000113.2A358 A370 A371 S372 I377 I378 V399 L402A358-Y374 HydrophobicContact CB-CD1 4.48Å; A358-Y374 HydrophobicContact CB-CD2 3.81Å; A358-Y374 HydrophobicContact CB-CE1 4.33Å; A358-Y374 HydrophobicContact CB-CE2 3.62Å; A358-Y374 HydrophobicContact CB-CG 4.22Å; A370-Y374 WeakPolarHBondContact O-CD2 3.28Å; A370-Y374 PolarHBondContact O-N 2.98Å; A370-Y374 VanDerWaalsContact O-N 3.07Å; A371-Y374 PolarHBondContact O-N 3.25Å; A371-Y374 VanDerWaalsContact O-N 3.11Å; S372-Y374 PolarHBondContact O-N 3.14Å; Y374-I377 HydrophobicContact CD1-CD1 4.04Å; Y374-I377 HydrophobicContact CE1-CD1 4.44Å; Y374-I377 WeakPolarHBondContact O-CB 3.34Å; Y374-I377 PolarHBondContact O-N 3.07Å; Y374-I378 WeakPolarHBondContact O-CG1 3.31Å; Y374-I378 PolarHBondContact O-N 2.63Å; Y374-V399 VanDerWaalsContact CB-CG2 3.44Å; Y374-V399 HydrophobicContact CG-CG2 4.45Å; Y374-L402 HydrophobicContact CD2-CD1 3.55Å; Y374-L402 HydrophobicContact CE2-CD1 4.04Å
375E94.3Very high89.6Confident51 Ų5146 Ų4624%0.23823%0.226CC..Hα-helixtrans-65.9-42.6174-72.5172.6169.700112.1A371 S372 I377 I378 W379 V399 R411 H415A371-E375 WeakPolarHBondContact O-CG 3.42Å; A371-E375 PolarHBondContact O-N 3.35Å; S372-E375 PolarHBondContact O-N 3.07Å; E375-I377 VanDerWaalsContact C-N 3.27Å; E375-I377 PolarHBondContact O-N 3.31Å; E375-I378 PolarHBondContact O-N 2.71Å; E375-I378 VanDerWaalsContact O-N 3.13Å; E375-W379 PolarHBondContact O-N 2.76Å; E375-V399 HydrophobicContact CG-CG1 3.93Å; E375-V399 HydrophobicContact CG-CG2 4.28Å; E375-R411 IonicContact OE1-CZ 2.74Å; E375-R411 IonicContact OE1-NE 3.55Å; E375-R411 PolarHBondContact OE1-NE 2.98Å; E375-R411 IonicContact OE1-NH2 3.22Å; E375-R411 PolarHBondContact OE1-NH2 3.41Å; E375-R411 IonicContact OE2-CZ 3.2Å; E375-R411 IonicContact OE2-NH2 2.82Å; E375-R411 PolarHBondContact OE2-NH2 2.98Å; E375-H415 IonicContact OE1-CE1 2.75Å; E375-H415 IonicContact OE1-NE2 2.93Å; E375-H415 PolarHBondContact OE1-NE2 2.87Å
376N92.3Very high88.4Confident74 Ų7449 Ų4940%0.39624%0.239SC..Hα-helixtrans-55.3-44.5170.7-81.84.4000111.5E354 S372 L373 W379 R380E354-N376 WeakPolarHBondContact OE1-CB 3.41Å; E354-N376 PolarHBondContact OE1-ND2 3.42Å; E354-N376 VanDerWaalsContact OE1-ND2 3.1Å; S372-N376 PolarHBondContact O-N 3.29Å; S372-N376 VanDerWaalsContact O-N 3.08Å; L373-N376 WeakPolarHBondContact O-CB 3.4Å; N376-W379 PolarHBondContact O-N 3.1Å; N376-R380 WeakPolarHBondContact O-CG 3.33Å; N376-R380 PolarHBondContact O-N 3.02Å; N376-R380 VanDerWaalsContact O-N 3.09Å
377I90.1Very high87.1Confident10 Ų1052.9 Ų52.95%0.05125%0.252CS..Hα-helixtrans-61.9-45.2175-68.6164.6000111.3I351 E354 L373 Y374 E375 R380 L381I351-I377 HydrophobicContact CG2-CG2 4.08Å; E354-I377 HydrophobicContact CB-CD1 3.94Å; E354-I377 HydrophobicContact CB-CG1 3.8Å; L373-I377 WeakPolarHBondContact O-CD1 3.44Å; L373-I377 VanDerWaalsContact O-CG1 3.28Å; L373-I377 WeakPolarHBondContact O-CG1 3.3Å; L373-I377 PolarHBondContact O-N 3.22Å; L373-I377 VanDerWaalsContact O-N 3.13Å; Y374-I377 HydrophobicContact CD1-CD1 4.04Å; Y374-I377 HydrophobicContact CE1-CD1 4.44Å; Y374-I377 WeakPolarHBondContact O-CB 3.34Å; Y374-I377 PolarHBondContact O-N 3.07Å; E375-I377 VanDerWaalsContact C-N 3.27Å; E375-I377 PolarHBondContact O-N 3.31Å; I377-R380 PolarHBondContact O-N 2.99Å; I377-L381 HydrophobicContact CG2-CD1 3.66Å; I377-L381 HydrophobicContact CG2-CG 4.09Å; I377-L381 WeakPolarHBondContact O-CB 3.37Å; I377-L381 VanDerWaalsContact O-CG 3.25Å; I377-L381 WeakPolarHBondContact O-CG 3.49Å; I377-L381 PolarHBondContact O-N 3Å
378I90.8Very high85.5Confident10 Ų1050.4 Ų50.45%0.05124%0.243CC..Hα-helixtrans-58.2-50.9178-71.1165000110.1Y374 E375 R380 L381 E382 L392 A395 E396 V399Y374-I378 WeakPolarHBondContact O-CG1 3.31Å; Y374-I378 PolarHBondContact O-N 2.63Å; E375-I378 PolarHBondContact O-N 2.71Å; E375-I378 VanDerWaalsContact O-N 3.13Å; I378-R380 PolarHBondContact O-N 3.26Å; I378-L381 PolarHBondContact O-N 3.3Å; I378-E382 HydrophobicContact CG2-CG 4.35Å; I378-E382 WeakPolarHBondContact O-CG 3.38Å; I378-E382 PolarHBondContact O-N 3.48Å; I378-L392 HydrophobicContact CG2-CD2 4.38Å; I378-A395 HydrophobicContact CD1-CB 4.03Å; I378-A395 HydrophobicContact CG1-CB 3.71Å; I378-E396 HydrophobicContact CD1-CG 4.13Å; I378-V399 HydrophobicContact CD1-CG2 3.75Å
379W91Very high84.5Confident98 Ų9845.5 Ų45.537%0.37122%0.218SC..Hα-helixtrans-56.7-36.8178.8175.898.7000113P345 E375 N376 R383P345-W379 HydrophobicContact CB-CH2 4.07Å; P345-W379 HydrophobicContact CB-CZ3 4.35Å; E375-W379 PolarHBondContact O-N 2.76Å; N376-W379 PolarHBondContact O-N 3.1Å; W379-R383 VanDerWaalsContact CD1-NH1 3.26Å; W379-R383 VanDerWaalsContact CE2-NH2 3.29Å; W379-R383 PolarHBondContact O-NH1 3.05Å
380R88Confident83.7Confident28 Ų2842 Ų4211%0.10620%0.202CC..Hα-helixtrans-72.2-46174.9-69.6-175.1175.783.21.6111.3P345 I351 E354 N376 I377 I378 E382 R383 Y384P345-R380 PolarHBondContact O-NE 2.77Å; I351-R380 HydrophobicContact CD1-CB 3.83Å; I351-R380 HydrophobicContact CG1-CB 3.61Å; I351-R380 HydrophobicContact CG1-CG 4.27Å; E354-R380 IonicContact OE1-CZ 3.18Å; E354-R380 IonicContact OE1-NH1 3.49Å; E354-R380 PolarHBondContact OE1-NH1 3.37Å; E354-R380 IonicContact OE1-NH2 2.72Å; E354-R380 IonicContact OE2-CZ 2.72Å; E354-R380 IonicContact OE2-NH1 3.54Å; E354-R380 PolarHBondContact OE2-NH1 3.27Å; N376-R380 WeakPolarHBondContact O-CG 3.33Å; N376-R380 PolarHBondContact O-N 3.02Å; N376-R380 VanDerWaalsContact O-N 3.09Å; I377-R380 PolarHBondContact O-N 2.99Å; I378-R380 PolarHBondContact O-N 3.26Å; R380-E382 VanDerWaalsContact C-N 3.32Å; R380-E382 PolarHBondContact O-N 2.96Å; R380-R383 PolarHBondContact O-N 2.96Å; R380-R383 VanDerWaalsContact O-N 3.16Å; R380-Y384 WeakPolarHBondContact O-CD2 3.46Å; R380-Y384 PolarHBondContact O-N 2.88Å
381L85Confident83Confident3 Ų345.9 Ų45.92%0.01622%0.222CC..Hα-helixtrans-61-38.7-179.4-73.2174.2000112.6I227 I351 I377 I378 R383 Y384 M385 L391 L392I227-L381 HydrophobicContact CD1-CD2 3.81Å; I227-L381 HydrophobicContact CG1-CD2 3.83Å; I351-L381 HydrophobicContact CD1-CD2 4.09Å; I377-L381 HydrophobicContact CG2-CD1 3.66Å; I377-L381 HydrophobicContact CG2-CG 4.09Å; I377-L381 WeakPolarHBondContact O-CB 3.37Å; I377-L381 VanDerWaalsContact O-CG 3.25Å; I377-L381 WeakPolarHBondContact O-CG 3.49Å; I377-L381 PolarHBondContact O-N 3Å; I378-L381 PolarHBondContact O-N 3.3Å; L381-R383 PolarHBondContact O-N 3.43Å; L381-Y384 PolarHBondContact O-N 3.43Å; L381-Y384 VanDerWaalsContact O-N 3.16Å; L381-M385 PolarHBondContact O-N 2.92Å; L381-L391 HydrophobicContact CD1-CD2 4.35Å; L381-L392 HydrophobicContact CB-CD2 3.59Å; L381-L392 HydrophobicContact CD1-CD2 4.14Å
382E85.9Confident82.6Confident87 Ų8746 Ų4641%0.40722%0.222SC..Hα-helixtrans-60-31.9176.4-73.2177.1152.100112.9I378 R380 P386 L392I378-E382 HydrophobicContact CG2-CG 4.35Å; I378-E382 WeakPolarHBondContact O-CG 3.38Å; I378-E382 PolarHBondContact O-N 3.48Å; R380-E382 VanDerWaalsContact C-N 3.32Å; R380-E382 PolarHBondContact O-N 2.96Å; E382-P386 VanDerWaalsContact O-CA 3.25Å; E382-P386 WeakPolarHBondContact O-CA 3.21Å; E382-L392 HydrophobicContact CG-CD1 4.38Å; E382-L392 HydrophobicContact CG-CD2 4.22Å
383R83Confident82.2Confident121 Ų12143.7 Ų43.746%0.45721%0.207SC..Hα-helixtrans-76.2-30.9176.5-73.3172.2169.562.94.3113.2T346 W379 R380 L381T346-R383 HydrophobicContact CG2-CB 4.42Å; W379-R383 VanDerWaalsContact CD1-NH1 3.26Å; W379-R383 VanDerWaalsContact CE2-NH2 3.29Å; W379-R383 PolarHBondContact O-NH1 3.05Å; R380-R383 PolarHBondContact O-N 2.96Å; R380-R383 VanDerWaalsContact O-N 3.16Å; L381-R383 PolarHBondContact O-N 3.43Å
384Y76.9Confident81.7Confident20 Ų2044.7 Ų44.78%0.07821%0.212CC..Hα-helixtrans-76.5-38.7176.5-72.7-61.2000112.4L258 E259 T346 V348 I351 R380 L381L258-Y384 PolarHBondContact O-OH 2.89Å; E259-Y384 WeakPolarHBondContact CA-OH 3.28Å; E259-Y384 HydrophobicContact CB-CE1 4.13Å; E259-Y384 HydrophobicContact CG-CD1 3.74Å; E259-Y384 HydrophobicContact CG-CE1 3.19Å; T346-Y384 WeakPolarHBondContact O-CE2 3.42Å; T346-Y384 PolarHBondContact O-OH 3.43Å; V348-Y384 PolarHBondContact N-OH 3.13Å; I351-Y384 HydrophobicContact CD1-CD2 3.61Å; I351-Y384 HydrophobicContact CD1-CE2 3.37Å; R380-Y384 WeakPolarHBondContact O-CD2 3.46Å; R380-Y384 PolarHBondContact O-N 2.88Å; L381-Y384 PolarHBondContact O-N 3.43Å; L381-Y384 VanDerWaalsContact O-N 3.16Å
385M72Confident81.4Confident21 Ų2143.4 Ų43.410%0.10321%0.209CC..  trans-14982.6-171.5-74.7175.3-80.400109.8M226 L381 E387 L389M226-M385 HydrophobicContact CB-CE 3.2Å; M226-M385 HydrophobicContact CB-SD 3.28Å; M226-M385 WeakPolarHBondContact CB-SD 3.29Å; M226-M385 HydrophobicContact CG-CE 4.24Å; M226-M385 HydrophobicContact CG-SD 3.71Å; M226-M385 HydrophobicContact SD-SD 3.87Å; L381-M385 PolarHBondContact O-N 2.92Å; M385-E387 PolarHBondContact O-N 3.02Å; M385-L389 HydrophobicContact CB-CD1 3.65Å; M385-L389 HydrophobicContact CB-CG 4.08Å; M385-L389 HydrophobicContact CE-CD1 3.6Å; M385-L389 HydrophobicContact CG-CD1 4.28Å; M385-L389 HydrophobicContact SD-CD1 3.65Å; M385-L389 HydrophobicContact SD-CD2 3.88Å; M385-L389 HydrophobicContact SD-CG 4.2Å
386P62.5Low81.4Confident94 Ų9441.2 Ų41.261%0.6120%0.199SC*.  trans-66.4-21-173.323.7-33.1000113.4E382E382-P386 VanDerWaalsContact O-CA 3.25Å; E382-P386 WeakPolarHBondContact O-CA 3.21Å
387E64.7Low81.3Confident130 Ų13038.1 Ų38.161%0.60718%0.182SC*.SBendtrans-112.896-170.3-65-173.5-169.500112.1M385M385-E387 PolarHBondContact O-N 3.02Å
388N60.7Low81.2Confident19 Ų1939.1 Ų39.110%0.10219%0.192CC..  trans70.952.9149.1-47.9-52.6000117F205 P390 R425 C426F205-N388 HydrophobicContact CD1-CB 4.46Å; F205-N388 HydrophobicContact CE1-CB 4.36Å; N388-P390 WeakPolarHBondContact O-CD 3.45Å; N388-R425 WeakPolarHBondContact OD1-CB 3.34Å; N388-R425 WeakPolarHBondContact OD1-CD 3.43Å; N388-R425 VanDerWaalsContact OD1-CZ 3.25Å; N388-R425 PolarHBondContact OD1-NE 2.91Å; N388-R425 PolarHBondContact OD1-NH1 2.94Å; N388-C426 VanDerWaalsContact C-SG 3.51Å; N388-C426 PolarHBondContact O-SG 3.41Å
389L72.6Confident81.4Confident10 Ų1038.6 Ų38.65%0.05219%0.189CC..  trans-83.4126.2164.5-62.8174.7000110.6M192 M385 L391 L392 S393 C426M192-L389 HydrophobicContact CE-CD2 3.83Å; M385-L389 HydrophobicContact CB-CD1 3.65Å; M385-L389 HydrophobicContact CB-CG 4.08Å; M385-L389 HydrophobicContact CE-CD1 3.6Å; M385-L389 HydrophobicContact CG-CD1 4.28Å; M385-L389 HydrophobicContact SD-CD1 3.65Å; M385-L389 HydrophobicContact SD-CD2 3.88Å; M385-L389 HydrophobicContact SD-CG 4.2Å; L389-L391 HydrophobicContact CB-CB 4.14Å; L389-L391 PolarHBondContact O-N 3.41Å; L389-L392 HydrophobicContact CB-CD1 4.37Å; L389-L392 HydrophobicContact CB-CG 4.2Å; L389-L392 WeakPolarHBondContact O-CB 3.33Å; L389-L392 PolarHBondContact O-N 3.32Å; L389-S393 PolarHBondContact O-N 3.11Å; L389-C426 VanDerWaalsContact C-SG 3.59Å
390P77.2Confident81.6Confident3 Ų334.1 Ų34.12%0.01917%0.173CC..Hα-helixtrans-52.5-26.6165.2-23.130.3000112.9M192 I194 N388 S393 L394 C426 Y427M192-P390 HydrophobicContact CE-CG 4.41Å; M192-P390 WeakPolarHBondContact SD-CD 3.42Å; M192-P390 HydrophobicContact SD-CG 3.3Å; M192-P390 WeakPolarHBondContact SD-CG 3.43Å; I194-P390 HydrophobicContact CD1-CB 4.39Å; I194-P390 HydrophobicContact CD1-CG 3.52Å; N388-P390 WeakPolarHBondContact O-CD 3.45Å; P390-S393 WeakPolarHBondContact O-CB 3.34Å; P390-S393 PolarHBondContact O-N 2.92Å; P390-L394 WeakPolarHBondContact O-CG 3.5Å; P390-L394 PolarHBondContact O-N 3.3Å; P390-C426 HydrophobicContact CB-CB 4.38Å; P390-C426 HydrophobicContact CG-CB 3.98Å; P390-Y427 HydrophobicContact CB-CE1 4.49Å; P390-Y427 HydrophobicContact CB-CE2 3.97Å; P390-Y427 WeakPolarHBondContact CB-OH 3.29Å
391L79.2Confident81.7Confident80 Ų8038.4 Ų38.442%0.41919%0.189SC..Hα-helixtrans-59.5-41.5172.8-176.962.5000112.6I227 L381 L389 L394 A395I227-L391 HydrophobicContact CD1-CD2 4.27Å; L381-L391 HydrophobicContact CD1-CD2 4.35Å; L389-L391 HydrophobicContact CB-CB 4.14Å; L389-L391 PolarHBondContact O-N 3.41Å; L391-L394 PolarHBondContact O-N 3.24Å; L391-A395 WeakPolarHBondContact O-CB 3.37Å; L391-A395 PolarHBondContact O-N 3.14Å
392L86.6Confident82.2Confident3 Ų338.5 Ų38.52%0.01619%0.19CC..Hα-helixtrans-64.4-44.6176.1-72.9171.3000110.4I378 L381 E382 L389 L394 A395 E396 L422I378-L392 HydrophobicContact CG2-CD2 4.38Å; L381-L392 HydrophobicContact CB-CD2 3.59Å; L381-L392 HydrophobicContact CD1-CD2 4.14Å; E382-L392 HydrophobicContact CG-CD1 4.38Å; E382-L392 HydrophobicContact CG-CD2 4.22Å; L389-L392 HydrophobicContact CB-CD1 4.37Å; L389-L392 HydrophobicContact CB-CG 4.2Å; L389-L392 WeakPolarHBondContact O-CB 3.33Å; L389-L392 PolarHBondContact O-N 3.32Å; L392-L394 VanDerWaalsContact C-N 3.27Å; L392-L394 PolarHBondContact O-N 3.22Å; L392-A395 PolarHBondContact O-N 3.04Å; L392-A395 VanDerWaalsContact O-N 3.13Å; L392-E396 WeakPolarHBondContact O-CB 3.19Å; L392-E396 WeakPolarHBondContact O-CG 3.41Å; L392-E396 PolarHBondContact O-N 2.85Å; L392-L422 HydrophobicContact CB-CD1 3.78Å; L392-L422 HydrophobicContact CB-CD2 4.25Å; L392-L422 HydrophobicContact CD1-CD2 4.45Å
393S86.7Confident82.5Confident0 Ų034.4 Ų34.40%017%0.171CC..Hα-helixtrans-57.4-42.2176.1-176.20000111.7L389 P390 M397 A419 S423L389-S393 PolarHBondContact O-N 3.11Å; P390-S393 WeakPolarHBondContact O-CB 3.34Å; P390-S393 PolarHBondContact O-N 2.92Å; S393-M397 VanDerWaalsContact O-CG 3.28Å; S393-M397 WeakPolarHBondContact O-CG 3.15Å; S393-M397 PolarHBondContact O-N 2.86Å; S393-A419 PolarHBondContact OG-O 2.88Å; S393-S423 WeakPolarHBondContact OG-CB 3.21Å
394L83Confident82.9Confident37 Ų3731.1 Ų31.119%0.19416%0.162CC..Hα-helixtrans-72.1-33.1177.2-69.3172.9000113.5M169 P390 L391 L392 M397 A398 T433M169-L394 HydrophobicContact CB-CD1 3.78Å; M169-L394 HydrophobicContact CG-CD1 3.21Å; P390-L394 WeakPolarHBondContact O-CG 3.5Å; P390-L394 PolarHBondContact O-N 3.3Å; L391-L394 PolarHBondContact O-N 3.24Å; L392-L394 VanDerWaalsContact C-N 3.27Å; L392-L394 PolarHBondContact O-N 3.22Å; L394-M397 HydrophobicContact CD2-SD 3.98Å; L394-M397 PolarHBondContact O-N 2.66Å; L394-A398 WeakPolarHBondContact O-CB 3.17Å; L394-A398 PolarHBondContact O-N 3.03Å; L394-T433 HydrophobicContact CD2-CG2 4.16Å
395A87.5Confident83.5Confident12 Ų1234.3 Ų34.310%0.09918%0.178CC..Hα-helixtrans-65.3-46.4173.700000110.4I378 L391 L392 M397 A398 V399I378-A395 HydrophobicContact CD1-CB 4.03Å; I378-A395 HydrophobicContact CG1-CB 3.71Å; L391-A395 WeakPolarHBondContact O-CB 3.37Å; L391-A395 PolarHBondContact O-N 3.14Å; L392-A395 PolarHBondContact O-N 3.04Å; L392-A395 VanDerWaalsContact O-N 3.13Å; A395-M397 VanDerWaalsContact C-N 3.33Å; A395-M397 PolarHBondContact O-N 2.99Å; A395-A398 WeakPolarHBondContact O-CA 3.31Å; A395-A398 VanDerWaalsContact O-CB 3.32Å; A395-A398 WeakPolarHBondContact O-CB 3.49Å; A395-A398 PolarHBondContact O-N 2.83Å; A395-V399 WeakPolarHBondContact O-CG2 3.38Å; A395-V399 PolarHBondContact O-N 3.34Å
396E93.1Very high84.4Confident5 Ų536.1 Ų36.12%0.02319%0.191CC..Hα-helixtrans-57.9-43.1173.2-72.5-74.7-165.800111.9I378 L392 A398 V399 S400 H415 N418 A419 L422I378-E396 HydrophobicContact CD1-CG 4.13Å; L392-E396 WeakPolarHBondContact O-CB 3.19Å; L392-E396 WeakPolarHBondContact O-CG 3.41Å; L392-E396 PolarHBondContact O-N 2.85Å; E396-A398 VanDerWaalsContact C-N 3.27Å; E396-A398 PolarHBondContact O-N 2.87Å; E396-V399 PolarHBondContact O-N 3.36Å; E396-S400 PolarHBondContact O-N 2.96Å; E396-S400 PolarHBondContact O-OG 2.99Å; E396-H415 WeakPolarHBondContact OE2-CA 3.34Å; E396-H415 WeakPolarHBondContact OE2-CB 3.43Å; E396-H415 IonicContact OE2-CE1 2.75Å; E396-H415 IonicContact OE2-CG 3.68Å; E396-H415 IonicContact OE2-ND1 2.79Å; E396-H415 PolarHBondContact OE2-ND1 3.46Å; E396-N418 VanDerWaalsContact CD-CB 3.42Å; E396-N418 HydrophobicContact CG-CB 3.94Å; E396-N418 VanDerWaalsContact OE1-CB 3.27Å; E396-N418 WeakPolarHBondContact OE1-CB 3.39Å; E396-N418 PolarHBondContact OE1-ND2 2.74Å; E396-A419 HydrophobicContact CB-CB 3.75Å; E396-L422 HydrophobicContact CG-CD1 3.91Å
397M90.7Very high85.7Confident10 Ų1033.5 Ų33.55%0.04918%0.181CC..Hα-helixtrans-63-31171.8-72.3-18081.400113.6S393 L394 A395 S400 R401 A419 T433 M436 V437 F440S393-M397 VanDerWaalsContact O-CG 3.28Å; S393-M397 WeakPolarHBondContact O-CG 3.15Å; S393-M397 PolarHBondContact O-N 2.86Å; L394-M397 HydrophobicContact CD2-SD 3.98Å; L394-M397 PolarHBondContact O-N 2.66Å; A395-M397 VanDerWaalsContact C-N 3.33Å; A395-M397 PolarHBondContact O-N 2.99Å; M397-S400 PolarHBondContact O-OG 3.47Å; M397-R401 WeakPolarHBondContact O-CG 3.38Å; M397-R401 PolarHBondContact O-N 3.2Å; M397-A419 HydrophobicContact CG-CB 3.84Å; M397-T433 HydrophobicContact SD-CG2 4.43Å; M397-M436 HydrophobicContact CE-CB 4.47Å; M397-M436 HydrophobicContact CE-CG 4.02Å; M397-M436 HydrophobicContact CE-SD 3.94Å; M397-V437 HydrophobicContact CE-CG2 3.74Å; M397-V437 HydrophobicContact CG-CG2 3.8Å; M397-V437 HydrophobicContact SD-CG2 3.37Å; M397-V437 WeakPolarHBondContact SD-CG2 2.97Å; M397-F440 HydrophobicContact CE-CD2 3.97Å; M397-F440 HydrophobicContact CE-CE2 3.88Å
398A89Confident87Confident30 Ų3030.1 Ų30.125%0.24817%0.167CC..Hα-helixtrans-72.6-45177.700000110.5L394 A395 E396 R401 L402L394-A398 WeakPolarHBondContact O-CB 3.17Å; L394-A398 PolarHBondContact O-N 3.03Å; A395-A398 WeakPolarHBondContact O-CA 3.31Å; A395-A398 VanDerWaalsContact O-CB 3.32Å; A395-A398 WeakPolarHBondContact O-CB 3.49Å; A395-A398 PolarHBondContact O-N 2.83Å; E396-A398 VanDerWaalsContact C-N 3.27Å; E396-A398 PolarHBondContact O-N 2.87Å; A398-R401 PolarHBondContact O-N 3.44Å; A398-L402 WeakPolarHBondContact O-CG 3.37Å; A398-L402 PolarHBondContact O-N 3.21Å; A398-L402 VanDerWaalsContact O-N 3.13Å
399V94.5Very high88.5Confident0 Ų029.8 Ų29.80%017%0.165CC..Hα-helixtrans-61.6-47175.4-175.60000110.6A371 Y374 E375 I378 A395 E396 R401 L402 C403 H415A371-V399 HydrophobicContact CB-CG1 4.36Å; Y374-V399 VanDerWaalsContact CB-CG2 3.44Å; Y374-V399 HydrophobicContact CG-CG2 4.45Å; E375-V399 HydrophobicContact CG-CG1 3.93Å; E375-V399 HydrophobicContact CG-CG2 4.28Å; I378-V399 HydrophobicContact CD1-CG2 3.75Å; A395-V399 WeakPolarHBondContact O-CG2 3.38Å; A395-V399 PolarHBondContact O-N 3.34Å; E396-V399 PolarHBondContact O-N 3.36Å; V399-R401 PolarHBondContact O-N 2.75Å; V399-L402 WeakPolarHBondContact O-CA 3.33Å; V399-L402 WeakPolarHBondContact O-CB 3.36Å; V399-L402 PolarHBondContact O-N 2.78Å; V399-C403 PolarHBondContact O-N 2.91Å; V399-C403 PolarHBondContact O-SG 3.17Å; V399-H415 VanDerWaalsContact CG1-CD2 3.43Å; V399-H415 WeakPolarHBondContact CG1-CD2 3.13Å; V399-H415 VanDerWaalsContact CG1-NE2 3.32Å; V399-H415 WeakPolarHBondContact CG1-NE2 3.27Å
400S94.2Very high89.4Confident3 Ų332.9 Ų32.92%0.02118%0.184CC..Hα-helixtrans-57.9-38.1179.171.40000112.8E396 M397 L404 T412 L416E396-S400 PolarHBondContact O-N 2.96Å; E396-S400 PolarHBondContact O-OG 2.99Å; M397-S400 PolarHBondContact O-OG 3.47Å; S400-L404 WeakPolarHBondContact O-CB 3.48Å; S400-L404 PolarHBondContact O-N 3.38Å; S400-T412 WeakPolarHBondContact O-CG2 3.38Å; S400-T412 PolarHBondContact O-OG1 3.08Å; S400-L416 WeakPolarHBondContact OG-CD2 3.48Å
401R91.9Very high90.2Very high119 Ų11936 Ų3645%0.44920%0.195SC..Hα-helixtrans-66.3-37.4174.5-76.1175.7174.3-178.93112.6M397 A398 V399 L404 M405 F440M397-R401 WeakPolarHBondContact O-CG 3.38Å; M397-R401 PolarHBondContact O-N 3.2Å; A398-R401 PolarHBondContact O-N 3.44Å; V399-R401 PolarHBondContact O-N 2.75Å; R401-L404 PolarHBondContact O-N 3.11Å; R401-M405 WeakPolarHBondContact O-CG 3.41Å; R401-M405 PolarHBondContact O-N 3.39Å; R401-M405 VanDerWaalsContact O-N 3.07Å; R401-F440 VanDerWaalsContact NH2-CZ 3.28Å
402L93.5Very high90.9Very high5 Ų532.2 Ų32.23%0.02618%0.176CC..Hα-helixtrans-66.3-47.1176.7-67.5164.4000110.7Y362 Y367 A370 A371 Y374 A398 V399 L404 M405 T406Y362-L402 HydrophobicContact CD2-CD2 3.61Å; Y362-L402 HydrophobicContact CE2-CD2 4.22Å; Y367-L402 HydrophobicContact CD1-CD2 3.9Å; A370-L402 HydrophobicContact CB-CD1 3.97Å; A370-L402 HydrophobicContact CB-CD2 3.93Å; A371-L402 HydrophobicContact CB-CB 3.89Å; A371-L402 HydrophobicContact CB-CD1 4.28Å; Y374-L402 HydrophobicContact CD2-CD1 3.55Å; Y374-L402 HydrophobicContact CE2-CD1 4.04Å; A398-L402 WeakPolarHBondContact O-CG 3.37Å; A398-L402 PolarHBondContact O-N 3.21Å; A398-L402 VanDerWaalsContact O-N 3.13Å; V399-L402 WeakPolarHBondContact O-CA 3.33Å; V399-L402 WeakPolarHBondContact O-CB 3.36Å; V399-L402 PolarHBondContact O-N 2.78Å; L402-L404 VanDerWaalsContact C-N 3.28Å; L402-L404 PolarHBondContact O-N 3.12Å; L402-M405 WeakPolarHBondContact O-CB 3.35Å; L402-M405 PolarHBondContact O-N 3.31Å; L402-T406 PolarHBondContact O-N 3.37Å; L402-T406 VanDerWaalsContact O-N 3.12Å
403C93.7Very high91.3Very high1 Ų132.9 Ų32.91%0.00718%0.179CC..Hα-helixtrans-59.8-38.7174.7-590000112V399 M405 T406 G407 D408 R411 T412V399-C403 PolarHBondContact O-N 2.91Å; V399-C403 PolarHBondContact O-SG 3.17Å; C403-M405 VanDerWaalsContact C-N 3.29Å; C403-M405 PolarHBondContact O-N 2.82Å; C403-T406 WeakPolarHBondContact CA-OG1 3.47Å; C403-T406 CarbonylContact O-C 3.3Å; C403-T406 PolarHBondContact O-N 2.56Å; C403-T406 PolarHBondContact O-OG1 3.37Å; C403-G407 PolarHBondContact O-N 3.02Å; C403-D408 HydrophobicContact CB-CB 4.41Å; C403-D408 PolarHBondContact O-N 2.93Å; C403-R411 HydrophobicContact CB-CB 4.32Å; C403-R411 HydrophobicContact CB-CG 4.48Å; C403-T412 VanDerWaalsContact C-OG1 3.26Å; C403-T412 VanDerWaalsContact CB-OG1 3.29Å; C403-T412 WeakPolarHBondContact CB-OG1 3.41Å
404L91.8Very high91.6Very high52 Ų5237.8 Ų37.827%0.27220%0.201SC..Hα-helixtrans-64.3-37.2175.9-175.362.2000111.5S400 R401 L402 T406 G407 L409 T412S400-L404 WeakPolarHBondContact O-CB 3.48Å; S400-L404 PolarHBondContact O-N 3.38Å; R401-L404 PolarHBondContact O-N 3.11Å; L402-L404 VanDerWaalsContact C-N 3.28Å; L402-L404 PolarHBondContact O-N 3.12Å; L404-T406 VanDerWaalsContact C-N 3.28Å; L404-T406 PolarHBondContact O-N 2.73Å; L404-G407 PolarHBondContact O-N 3.3Å; L404-L409 HydrophobicContact CD1-CD2 3.65Å; L404-T412 WeakPolarHBondContact CA-OG1 3.39Å; L404-T412 HydrophobicContact CB-CG2 4.02Å; L404-T412 HydrophobicContact CD1-CG2 4.38Å; L404-T412 PolarHBondContact N-OG1 3.04Å
405M88.9Confident92.2Very high86 Ų8636.8 Ų36.842%0.42420%0.196SC..Hα-helixtrans-69.7-24.2177-71.117875.800112.8Y362 Y367 R401 L402 C403Y362-M405 HydrophobicContact CE2-SD 4.31Å; Y367-M405 HydrophobicContact CD1-CE 3.98Å; Y367-M405 HydrophobicContact CD1-SD 4.2Å; Y367-M405 HydrophobicContact CD2-CB 4.1Å; Y367-M405 HydrophobicContact CD2-CE 4.18Å; Y367-M405 HydrophobicContact CE1-CE 3.35Å; Y367-M405 HydrophobicContact CE1-SD 4.05Å; Y367-M405 HydrophobicContact CE2-CE 3.59Å; Y367-M405 HydrophobicContact CG-CB 4.19Å; Y367-M405 HydrophobicContact CG-CE 4.37Å; Y367-M405 VanDerWaalsContact OH-CE 3.29Å; Y367-M405 WeakPolarHBondContact OH-CE 3.36Å; R401-M405 WeakPolarHBondContact O-CG 3.41Å; R401-M405 PolarHBondContact O-N 3.39Å; R401-M405 VanDerWaalsContact O-N 3.07Å; L402-M405 WeakPolarHBondContact O-CB 3.35Å; L402-M405 PolarHBondContact O-N 3.31Å; C403-M405 VanDerWaalsContact C-N 3.29Å; C403-M405 PolarHBondContact O-N 2.82Å
406T90.6Very high92.6Very high60 Ų6036.3 Ų36.337%0.36819%0.191SC..Hα-helixtrans-92.4-4.2174620000113I368 L402 C403 L404I368-T406 HydrophobicContact CG1-CG2 3.59Å; L402-T406 PolarHBondContact O-N 3.37Å; L402-T406 VanDerWaalsContact O-N 3.12Å; C403-T406 WeakPolarHBondContact CA-OG1 3.47Å; C403-T406 CarbonylContact O-C 3.3Å; C403-T406 PolarHBondContact O-N 2.56Å; C403-T406 PolarHBondContact O-OG1 3.37Å; L404-T406 VanDerWaalsContact C-N 3.28Å; L404-T406 PolarHBondContact O-N 2.73Å
407G90.4Very high92.6Very high39 Ų3939.3 Ų39.340%0.40221%0.207SC..THydrogen-bonded Turntrans83.65.6179.100000115.1C403 L404 L409C403-G407 PolarHBondContact O-N 3.02Å; L404-G407 PolarHBondContact O-N 3.3Å; G407-L409 PolarHBondContact O-N 3.01Å; G407-L409 VanDerWaalsContact O-N 3.1Å
408D92.3Very high92.7Very high58 Ų5841.4 Ų41.431%0.3122%0.219SC..  trans-81.982.7178.9-174.4-11.1000110.5C403 V410 R411 T412C403-D408 HydrophobicContact CB-CB 4.41Å; C403-D408 PolarHBondContact O-N 2.93Å; D408-V410 VanDerWaalsContact C-N 3.34Å; D408-V410 PolarHBondContact O-N 2.99Å; D408-R411 HydrophobicContact CB-CB 4.36Å; D408-R411 VanDerWaalsContact OD1-CB 3.3Å; D408-R411 WeakPolarHBondContact OD1-CB 3.36Å; D408-R411 PolarHBondContact OD1-N 2.85Å; D408-R411 WeakPolarHBondContact OD2-CB 3.42Å; D408-R411 WeakPolarHBondContact OD2-CD 3.38Å; D408-T412 WeakPolarHBondContact O-CB 3.39Å; D408-T412 PolarHBondContact O-N 2.98Å; D408-T412 PolarHBondContact O-OG1 3.42Å
409L91.9Very high92.8Very high13 Ų1340 Ų407%0.06821%0.207CC..Hα-helixtrans-69.8-28.9-175.5-63.2-179000113.3L404 G407 T412 K413 R447 L448 K451L404-L409 HydrophobicContact CD1-CD2 3.65Å; G407-L409 PolarHBondContact O-N 3.01Å; G407-L409 VanDerWaalsContact O-N 3.1Å; L409-T412 WeakPolarHBondContact O-CB 3.35Å; L409-K413 WeakPolarHBondContact O-CB 3.37Å; L409-K413 PolarHBondContact O-N 3.25Å; L409-R447 HydrophobicContact CD1-CB 3.83Å; L409-R447 HydrophobicContact CD2-CB 4.26Å; L409-L448 HydrophobicContact CB-CD2 3.46Å; L409-L448 VanDerWaalsContact CB-CD2 3.46Å; L409-L448 HydrophobicContact CB-CG 3.93Å; L409-L448 HydrophobicContact CD1-CD2 4.24Å; L409-L448 HydrophobicContact CD1-CG 4.4Å; L409-K451 HydrophobicContact CD1-CD 3.83Å; L409-K451 HydrophobicContact CD1-CG 4.43Å
410V91.3Very high92.5Very high75 Ų7541.1 Ų41.146%0.45522%0.215SC..Hα-helixtrans-69.1-50.8179.9176.50000109.5D408 T412 K413 Q414 L448D408-V410 VanDerWaalsContact C-N 3.34Å; D408-V410 PolarHBondContact O-N 2.99Å; V410-T412 VanDerWaalsContact C-N 3.32Å; V410-T412 PolarHBondContact O-N 2.8Å; V410-K413 PolarHBondContact O-N 3.31Å; V410-Q414 PolarHBondContact O-N 2.84Å; V410-L448 HydrophobicContact CG2-CD2 4.36Å
411R93Very high92.2Very high67 Ų6743.8 Ų43.825%0.25323%0.229SC..Hα-helixtrans-63.8-39.3175.2-164.7174.7176.8-177.74.4111.6E375 C403 D408 K413 Q414 H415E375-R411 IonicContact OE1-CZ 2.74Å; E375-R411 IonicContact OE1-NE 3.55Å; E375-R411 PolarHBondContact OE1-NE 2.98Å; E375-R411 IonicContact OE1-NH2 3.22Å; E375-R411 PolarHBondContact OE1-NH2 3.41Å; E375-R411 IonicContact OE2-CZ 3.2Å; E375-R411 IonicContact OE2-NH2 2.82Å; E375-R411 PolarHBondContact OE2-NH2 2.98Å; C403-R411 HydrophobicContact CB-CB 4.32Å; C403-R411 HydrophobicContact CB-CG 4.48Å; D408-R411 HydrophobicContact CB-CB 4.36Å; D408-R411 VanDerWaalsContact OD1-CB 3.3Å; D408-R411 WeakPolarHBondContact OD1-CB 3.36Å; D408-R411 PolarHBondContact OD1-N 2.85Å; D408-R411 WeakPolarHBondContact OD2-CB 3.42Å; D408-R411 WeakPolarHBondContact OD2-CD 3.38Å; R411-K413 VanDerWaalsContact C-N 3.32Å; R411-K413 PolarHBondContact O-N 3.31Å; R411-Q414 PolarHBondContact O-N 3.27Å; R411-H415 PolarHBondContact O-CD2 2.96Å; R411-H415 PolarHBondContact O-N 3.1Å; R411-H415 VanDerWaalsContact O-N 3.11Å
412T94.7Very high92Very high1 Ų138.7 Ų38.71%0.00621%0.21CC..Hα-helixtrans-53.6-49172.8-60.70000111.5S400 C403 L404 D408 L409 V410 L416 C444S400-T412 WeakPolarHBondContact O-CG2 3.38Å; S400-T412 PolarHBondContact O-OG1 3.08Å; C403-T412 VanDerWaalsContact C-OG1 3.26Å; C403-T412 VanDerWaalsContact CB-OG1 3.29Å; C403-T412 WeakPolarHBondContact CB-OG1 3.41Å; L404-T412 WeakPolarHBondContact CA-OG1 3.39Å; L404-T412 HydrophobicContact CB-CG2 4.02Å; L404-T412 HydrophobicContact CD1-CG2 4.38Å; L404-T412 PolarHBondContact N-OG1 3.04Å; D408-T412 WeakPolarHBondContact O-CB 3.39Å; D408-T412 PolarHBondContact O-N 2.98Å; D408-T412 PolarHBondContact O-OG1 3.42Å; L409-T412 WeakPolarHBondContact O-CB 3.35Å; V410-T412 VanDerWaalsContact C-N 3.32Å; V410-T412 PolarHBondContact O-N 2.8Å; T412-L416 HydrophobicContact CG2-CD1 3.79Å; T412-L416 VanDerWaalsContact O-CG 3.31Å; T412-L416 WeakPolarHBondContact O-CG 3.43Å; T412-L416 PolarHBondContact O-N 3.18Å; T412-C444 HydrophobicContact CG2-CB 4.35Å; T412-C444 VanDerWaalsContact CG2-SG 3.58Å
413K93.8Very high91.6Very high18 Ų1838.4 Ų38.48%0.07821%0.209CC..Hα-helixtrans-62.9-44.6179.5177.6171.9169.8159.70111.6L409 V410 R411 H415 L416 L417 L441 E445 L448 P455L409-K413 WeakPolarHBondContact O-CB 3.37Å; L409-K413 PolarHBondContact O-N 3.25Å; V410-K413 PolarHBondContact O-N 3.31Å; R411-K413 VanDerWaalsContact C-N 3.32Å; R411-K413 PolarHBondContact O-N 3.31Å; K413-H415 PolarHBondContact O-N 2.8Å; K413-L416 PolarHBondContact O-N 3.37Å; K413-L416 VanDerWaalsContact O-N 3.12Å; K413-L417 HydrophobicContact CG-CD1 4.14Å; K413-L417 HydrophobicContact CG-CG 4.32Å; K413-L417 WeakPolarHBondContact O-CG 3.33Å; K413-L417 PolarHBondContact O-N 2.68Å; K413-L441 HydrophobicContact CG-CD1 4.14Å; K413-E445 HydrophobicContact CD-CG 4.33Å; K413-E445 IonicContact NZ-OE1 3.07Å; K413-E445 PolarHBondContact NZ-OE1 2.93Å; K413-L448 HydrophobicContact CB-CD1 4.03Å; K413-L448 HydrophobicContact CD-CD1 3.7Å; K413-L448 HydrophobicContact CG-CD1 4.43Å; K413-P455 VanDerWaalsContact CD-O 3.22Å; K413-P455 WeakPolarHBondContact CD-O 3.21Å; K413-P455 WeakPolarHBondContact CE-O 3.43Å; K413-P455 VanDerWaalsContact NZ-CB 3.27Å; K413-P455 PolarHBondContact NZ-O 3.22Å
414Q94.9Very high91.1Very high102 Ų10244.6 Ų44.648%0.47723%0.232SC..Hα-helixtrans-56.9-49.3-179.9-174.858.353.800111.7V410 R411 L416 L417 N418V410-Q414 PolarHBondContact O-N 2.84Å; R411-Q414 PolarHBondContact O-N 3.27Å; Q414-L416 VanDerWaalsContact C-N 3.32Å; Q414-L416 PolarHBondContact O-N 2.86Å; Q414-L417 WeakPolarHBondContact O-CB 3.23Å; Q414-L417 PolarHBondContact O-N 3.2Å; Q414-N418 PolarHBondContact NE2-OD1 3.37Å; Q414-N418 VanDerWaalsContact NE2-OD1 3.11Å; Q414-N418 PolarHBondContact O-N 3.4Å; Q414-N418 PolarHBondContact O-OD1 2.93Å
415H95.3Very high90.5Very high16 Ų1646.1 Ų46.17%0.07423%0.234CC..Hα-helixtrans-65.6-33.3177.1-69.5-64.8000112.8E375 E396 V399 R411 K413 N418 A419E375-H415 IonicContact OE1-CE1 2.75Å; E375-H415 IonicContact OE1-NE2 2.93Å; E375-H415 PolarHBondContact OE1-NE2 2.87Å; E396-H415 WeakPolarHBondContact OE2-CA 3.34Å; E396-H415 WeakPolarHBondContact OE2-CB 3.43Å; E396-H415 IonicContact OE2-CE1 2.75Å; E396-H415 IonicContact OE2-CG 3.68Å; E396-H415 IonicContact OE2-ND1 2.79Å; E396-H415 PolarHBondContact OE2-ND1 3.46Å; V399-H415 VanDerWaalsContact CG1-CD2 3.43Å; V399-H415 WeakPolarHBondContact CG1-CD2 3.13Å; V399-H415 VanDerWaalsContact CG1-NE2 3.32Å; V399-H415 WeakPolarHBondContact CG1-NE2 3.27Å; R411-H415 PolarHBondContact O-CD2 2.96Å; R411-H415 PolarHBondContact O-N 3.1Å; R411-H415 VanDerWaalsContact O-N 3.11Å; K413-H415 PolarHBondContact O-N 2.8Å; H415-N418 PolarHBondContact O-N 2.85Å; H415-A419 VanDerWaalsContact O-CB 3.3Å; H415-A419 WeakPolarHBondContact O-CB 3.37Å; H415-A419 PolarHBondContact O-N 3.11Å
416L94.4Very high90Very high2 Ų242 Ų421%0.0121%0.214CC..Hα-helixtrans-68.1-35.1174.1-73.7167.6000112.8S400 T412 K413 Q414 C420 F440 L441 C444S400-L416 WeakPolarHBondContact OG-CD2 3.48Å; T412-L416 HydrophobicContact CG2-CD1 3.79Å; T412-L416 VanDerWaalsContact O-CG 3.31Å; T412-L416 WeakPolarHBondContact O-CG 3.43Å; T412-L416 PolarHBondContact O-N 3.18Å; K413-L416 PolarHBondContact O-N 3.37Å; K413-L416 VanDerWaalsContact O-N 3.12Å; Q414-L416 VanDerWaalsContact C-N 3.32Å; Q414-L416 PolarHBondContact O-N 2.86Å; L416-C420 VanDerWaalsContact O-CB 3.25Å; L416-C420 WeakPolarHBondContact O-CB 3.32Å; L416-C420 PolarHBondContact O-N 3.34Å; L416-F440 HydrophobicContact CD1-CB 4.23Å; L416-F440 HydrophobicContact CD2-CB 3.69Å; L416-L441 HydrophobicContact CB-CB 4.31Å; L416-L441 HydrophobicContact CB-CD1 3.83Å; L416-C444 HydrophobicContact CD1-CB 3.76Å
417L93.8Very high89.4Confident68 Ų6839.5 Ų39.536%0.35620%0.198SC..Hα-helixtrans-65.4-46.7173.3-70.8172.1000110.9K413 Q414 A419 C420 D421 L441K413-L417 HydrophobicContact CG-CD1 4.14Å; K413-L417 HydrophobicContact CG-CG 4.32Å; K413-L417 WeakPolarHBondContact O-CG 3.33Å; K413-L417 PolarHBondContact O-N 2.68Å; Q414-L417 WeakPolarHBondContact O-CB 3.23Å; Q414-L417 PolarHBondContact O-N 3.2Å; L417-A419 PolarHBondContact O-N 3.16Å; L417-C420 WeakPolarHBondContact O-CB 3.21Å; L417-C420 PolarHBondContact O-N 2.82Å; L417-C420 VanDerWaalsContact O-N 3.14Å; L417-D421 PolarHBondContact O-N 2.81Å; L417-L441 HydrophobicContact CD2-CD1 4.09Å; L417-L441 HydrophobicContact CD2-CD2 3.93Å; L417-L441 HydrophobicContact CG-CD1 4.25Å
418N92Very high88.7Confident55 Ų5540.8 Ų40.829%0.29419%0.191SC..Hα-helixtrans-58.6-47.7174.7-66.32.2000111.1E396 Q414 H415 C420 D421 L422E396-N418 VanDerWaalsContact CD-CB 3.42Å; E396-N418 HydrophobicContact CG-CB 3.94Å; E396-N418 VanDerWaalsContact OE1-CB 3.27Å; E396-N418 WeakPolarHBondContact OE1-CB 3.39Å; E396-N418 PolarHBondContact OE1-ND2 2.74Å; Q414-N418 PolarHBondContact NE2-OD1 3.37Å; Q414-N418 VanDerWaalsContact NE2-OD1 3.11Å; Q414-N418 PolarHBondContact O-N 3.4Å; Q414-N418 PolarHBondContact O-OD1 2.93Å; H415-N418 PolarHBondContact O-N 2.85Å; N418-C420 VanDerWaalsContact C-N 3.28Å; N418-C420 PolarHBondContact O-N 3.38Å; N418-D421 PolarHBondContact O-N 2.74Å; N418-L422 WeakPolarHBondContact O-CB 3.36Å; N418-L422 WeakPolarHBondContact O-CG 3.2Å; N418-L422 PolarHBondContact O-N 2.8Å
419A91Very high88Confident0 Ų046.5 Ų46.50%021%0.208CC..Hα-helixtrans-60.1-36.7175.900000112.5S393 E396 M397 H415 L417 S423 V437S393-A419 PolarHBondContact OG-O 2.88Å; E396-A419 HydrophobicContact CB-CB 3.75Å; M397-A419 HydrophobicContact CG-CB 3.84Å; H415-A419 VanDerWaalsContact O-CB 3.3Å; H415-A419 WeakPolarHBondContact O-CB 3.37Å; H415-A419 PolarHBondContact O-N 3.11Å; L417-A419 PolarHBondContact O-N 3.16Å; A419-S423 WeakPolarHBondContact O-CB 3.5Å; A419-S423 PolarHBondContact O-N 2.95Å; A419-S423 PolarHBondContact O-OG 3.15Å; A419-V437 HydrophobicContact CB-CG1 3.98Å; A419-V437 HydrophobicContact CB-CG2 4.4Å
420C90.2Very high87.4Confident24 Ų2452.4 Ų52.416%0.16224%0.235CC..Hα-helixtrans-66.9-47.8179.4-173.10000110.9L416 L417 N418 S423 R424 V437L416-C420 VanDerWaalsContact O-CB 3.25Å; L416-C420 WeakPolarHBondContact O-CB 3.32Å; L416-C420 PolarHBondContact O-N 3.34Å; L417-C420 WeakPolarHBondContact O-CB 3.21Å; L417-C420 PolarHBondContact O-N 2.82Å; L417-C420 VanDerWaalsContact O-N 3.14Å; N418-C420 VanDerWaalsContact C-N 3.28Å; N418-C420 PolarHBondContact O-N 3.38Å; C420-S423 WeakPolarHBondContact CA-OG 3.35Å; C420-S423 PolarHBondContact O-N 2.65Å; C420-S423 PolarHBondContact O-OG 2.89Å; C420-R424 WeakPolarHBondContact O-CB 3.28Å; C420-R424 PolarHBondContact O-N 2.67Å; C420-V437 HydrophobicContact CB-CG1 3.9Å
421D87.5Confident87.1Confident59 Ų5949.4 Ų49.432%0.31622%0.216SC..Hα-helixtrans-65.6-45.1178.2-178.962000111.8L417 N418 S423 R424 R425L417-D421 PolarHBondContact O-N 2.81Å; N418-D421 PolarHBondContact O-N 2.74Å; D421-S423 PolarHBondContact O-N 2.93Å; D421-R424 PolarHBondContact O-N 2.63Å; D421-R424 IonicContact OD1-CZ 2.63Å; D421-R424 IonicContact OD1-NE 3.81Å; D421-R424 IonicContact OD1-NH2 3.05Å; D421-R424 PolarHBondContact OD1-NH2 2.66Å; D421-R425 WeakPolarHBondContact O-CG 3.32Å; D421-R425 PolarHBondContact O-N 3.24Å; D421-R425 VanDerWaalsContact O-N 3.08Å; D421-R425 IonicContact OD1-NE 2.73Å; D421-R425 IonicContact OD2-CZ 3.09Å; D421-R425 IonicContact OD2-NE 2.64Å; D421-R425 PolarHBondContact OD2-NE 3.15Å; D421-R425 IonicContact OD2-NH2 2.73Å; D421-R425 PolarHBondContact OD2-NH2 3.42Å
422L87.1Confident86.7Confident11 Ų1148.5 Ų48.56%0.05822%0.219CC..Hα-helixtrans-60.2-45.4174.2-72.4163.7000111.5L392 E396 N418 R424 R425 C426L392-L422 HydrophobicContact CB-CD1 3.78Å; L392-L422 HydrophobicContact CB-CD2 4.25Å; L392-L422 HydrophobicContact CD1-CD2 4.45Å; E396-L422 HydrophobicContact CG-CD1 3.91Å; N418-L422 WeakPolarHBondContact O-CB 3.36Å; N418-L422 WeakPolarHBondContact O-CG 3.2Å; N418-L422 PolarHBondContact O-N 2.8Å; L422-R424 PolarHBondContact O-N 2.89Å; L422-R425 CarbonylContact O-C 3.55Å; L422-R425 PolarHBondContact O-N 2.96Å; L422-R425 VanDerWaalsContact O-N 3.17Å; L422-C426 WeakPolarHBondContact O-CB 3.37Å; L422-C426 PolarHBondContact O-N 3.03Å; L422-C426 PolarHBondContact O-SG 3.29Å
423S85.6Confident86.1Confident0 Ų048.5 Ų48.50%022%0.219CC..Hα-helixtrans-67.6-34.9-179590000112.6S393 A419 C420 D421 R425 C426 Y427 H434S393-S423 WeakPolarHBondContact OG-CB 3.21Å; A419-S423 WeakPolarHBondContact O-CB 3.5Å; A419-S423 PolarHBondContact O-N 2.95Å; A419-S423 PolarHBondContact O-OG 3.15Å; C420-S423 WeakPolarHBondContact CA-OG 3.35Å; C420-S423 PolarHBondContact O-N 2.65Å; C420-S423 PolarHBondContact O-OG 2.89Å; D421-S423 PolarHBondContact O-N 2.93Å; S423-R425 VanDerWaalsContact C-N 3.28Å; S423-R425 PolarHBondContact O-N 3.02Å; S423-C426 PolarHBondContact O-N 3.38Å; S423-Y427 WeakPolarHBondContact O-CA 3.46Å; S423-Y427 VanDerWaalsContact O-CB 3.31Å; S423-Y427 WeakPolarHBondContact O-CB 3.39Å; S423-Y427 WeakPolarHBondContact O-CD2 3.36Å; S423-Y427 PolarHBondContact O-N 2.92Å; S423-H434 PolarHBondContact OG-ND1 3.5Å
424R82.6Confident85.9Confident130 Ų13048.2 Ų48.249%0.49122%0.218SC..Hα-helixtrans-63.7-35.1172.6-177.1-173.666.794-0.6112C420 D421 L422C420-R424 WeakPolarHBondContact O-CB 3.28Å; C420-R424 PolarHBondContact O-N 2.67Å; D421-R424 PolarHBondContact O-N 2.63Å; D421-R424 IonicContact OD1-CZ 2.63Å; D421-R424 IonicContact OD1-NE 3.81Å; D421-R424 IonicContact OD1-NH2 3.05Å; D421-R424 PolarHBondContact OD1-NH2 2.66Å; L422-R424 PolarHBondContact O-N 2.89Å
425R78.5Confident85.5Confident84 Ų8446.3 Ų46.332%0.31721%0.211SC..Hα-helixtrans-79.1-24.1176.7-71.1-174.6-75.3156.5-13.5113.3M1 N388 D421 L422 S423M1-R425 WeakPolarHBondContact CE-O 3.21Å; M1-R425 VanDerWaalsContact SD-O 3.37Å; N388-R425 WeakPolarHBondContact OD1-CB 3.34Å; N388-R425 WeakPolarHBondContact OD1-CD 3.43Å; N388-R425 VanDerWaalsContact OD1-CZ 3.25Å; N388-R425 PolarHBondContact OD1-NE 2.91Å; N388-R425 PolarHBondContact OD1-NH1 2.94Å; D421-R425 WeakPolarHBondContact O-CG 3.32Å; D421-R425 PolarHBondContact O-N 3.24Å; D421-R425 VanDerWaalsContact O-N 3.08Å; D421-R425 IonicContact OD1-NE 2.73Å; D421-R425 IonicContact OD2-CZ 3.09Å; D421-R425 IonicContact OD2-NE 2.64Å; D421-R425 PolarHBondContact OD2-NE 3.15Å; D421-R425 IonicContact OD2-NH2 2.73Å; D421-R425 PolarHBondContact OD2-NH2 3.42Å; L422-R425 CarbonylContact O-C 3.55Å; L422-R425 PolarHBondContact O-N 2.96Å; L422-R425 VanDerWaalsContact O-N 3.17Å; S423-R425 VanDerWaalsContact C-N 3.28Å; S423-R425 PolarHBondContact O-N 3.02Å
426C78.7Confident85.2Confident1 Ų148.2 Ų48.21%0.00722%0.22CC..Hα-helixtrans-99.6-37.7-173.8-70.70000113.9M1 I194 N203 N388 L389 P390 L422 S423M1-C426 VanDerWaalsContact CE-O 3.27Å; M1-C426 WeakPolarHBondContact CE-O 3.33Å; I194-C426 WeakPolarHBondContact CG1-O 3.4Å; N203-C426 PolarHBondContact ND2-O 3.33Å; N388-C426 VanDerWaalsContact C-SG 3.51Å; N388-C426 PolarHBondContact O-SG 3.41Å; L389-C426 VanDerWaalsContact C-SG 3.59Å; P390-C426 HydrophobicContact CB-CB 4.38Å; P390-C426 HydrophobicContact CG-CB 3.98Å; L422-C426 WeakPolarHBondContact O-CB 3.37Å; L422-C426 PolarHBondContact O-N 3.03Å; L422-C426 PolarHBondContact O-SG 3.29Å; S423-C426 PolarHBondContact O-N 3.38Å
427Y79.3Confident84.9Confident6 Ų648.1 Ų48.12%0.02422%0.22CC..SBendtrans-121.3156.9-173.1-57.2-87.1000109.7I194 P390 S423 H431 T433I194-Y427 HydrophobicContact CD1-CD1 4.29Å; I194-Y427 HydrophobicContact CD1-CE1 4.1Å; I194-Y427 HydrophobicContact CG1-CD1 4.46Å; I194-Y427 HydrophobicContact CG2-CD1 3.44Å; I194-Y427 VanDerWaalsContact CG2-CD1 3.44Å; I194-Y427 HydrophobicContact CG2-CE1 3.82Å; P390-Y427 HydrophobicContact CB-CE1 4.49Å; P390-Y427 HydrophobicContact CB-CE2 3.97Å; P390-Y427 WeakPolarHBondContact CB-OH 3.29Å; S423-Y427 WeakPolarHBondContact O-CA 3.46Å; S423-Y427 VanDerWaalsContact O-CB 3.31Å; S423-Y427 WeakPolarHBondContact O-CB 3.39Å; S423-Y427 WeakPolarHBondContact O-CD2 3.36Å; S423-Y427 PolarHBondContact O-N 2.92Å; Y427-H431 HydrophobicContact CD1-CB 4.4Å; Y427-H431 AromaticContact CD1-CE1 3.36Å; Y427-H431 WeakPolarHBondContact CD1-CE1 3.36Å; Y427-H431 AromaticContact CD1-CG 3.65Å; Y427-H431 AromaticContact CD1-ND1 3.18Å; Y427-H431 WeakPolarHBondContact CD1-ND1 3.46Å; Y427-H431 AromaticContact CD1-NE2 3.87Å; Y427-H431 AromaticContact CE1-CE1 3.53Å; Y427-H431 AromaticContact CE1-ND1 3.73Å; Y427-H431 HydrophobicContact CG-CB 4.45Å; Y427-H431 AromaticContact CG-ND1 3.82Å; Y427-T433 HydrophobicContact CE2-CG2 3.98Å
428R75.5Confident84.8Confident66 Ų6647.5 Ų47.525%0.24922%0.217CC..  trans-66.1157.2167.9-60.8-174.6-162.7178.3-0.8111.2T3 E6 H201 E430 H431T3-R428 PolarHBondContact OG1-NE 3.22Å; T3-R428 PolarHBondContact OG1-NH2 3.35Å; E6-R428 IonicContact OE1-CZ 3.95Å; E6-R428 IonicContact OE1-NH1 3.53Å; E6-R428 PolarHBondContact OE1-NH1 3.42Å; E6-R428 IonicContact OE1-NH2 2.68Å; E6-R428 PolarHBondContact OE1-NH2 3.11Å; E6-R428 IonicContact OE2-NH1 3.42Å; E6-R428 IonicContact OE2-NH2 3.63Å; H201-R428 PolarHBondContact ND1-NH2 3.33Å; R428-E430 PolarHBondContact O-N 2.8Å; R428-H431 WeakPolarHBondContact O-CB 3.31Å; R428-H431 PolarHBondContact O-N 2.76Å
429R76.3Confident84.8Confident178 Ų17853.8 Ų53.867%0.67224%0.237SC*.THydrogen-bonded Turntrans-56.5-35.2176.9-70.6-175.2177.6-176.90.2112.2H431 H434R429-H431 VanDerWaalsContact C-N 3.3Å; R429-H431 PolarHBondContact O-N 2.96Å; R429-H434 PolarHBondContact O-CD2 3.08Å
430E80.1Confident84.8Confident138 Ų13857.1 Ų57.165%0.64525%0.251SS*.THydrogen-bonded Turntrans-81.7-9.7-178.6-55.673.2-155.100112.9R428 N435R428-E430 PolarHBondContact O-N 2.8Å; E430-N435 PolarHBondContact O-ND2 2.71Å
431H84.1Confident84.9Confident12 Ų1256.8 Ų56.86%0.05625%0.248CC..SBendtrans-63.3137.1-173.7-168.6-93.7000111.3Y195 Y427 R428 R429 T433 H434 N435Y195-H431 PolarHBondContact O-NE2 3.45Å; Y195-H431 VanDerWaalsContact O-NE2 3.11Å; Y427-H431 HydrophobicContact CD1-CB 4.4Å; Y427-H431 AromaticContact CD1-CE1 3.36Å; Y427-H431 WeakPolarHBondContact CD1-CE1 3.36Å; Y427-H431 AromaticContact CD1-CG 3.65Å; Y427-H431 AromaticContact CD1-ND1 3.18Å; Y427-H431 WeakPolarHBondContact CD1-ND1 3.46Å; Y427-H431 AromaticContact CD1-NE2 3.87Å; Y427-H431 AromaticContact CE1-CE1 3.53Å; Y427-H431 AromaticContact CE1-ND1 3.73Å; Y427-H431 HydrophobicContact CG-CB 4.45Å; Y427-H431 AromaticContact CG-ND1 3.82Å; R428-H431 WeakPolarHBondContact O-CB 3.31Å; R428-H431 PolarHBondContact O-N 2.76Å; R429-H431 VanDerWaalsContact C-N 3.3Å; R429-H431 PolarHBondContact O-N 2.96Å; H431-T433 PolarHBondContact CE1-OG1 3.01Å; H431-T433 WeakPolarHBondContact ND1-CB 3.41Å; H431-T433 PolarHBondContact ND1-N 3.11Å; H431-T433 PolarHBondContact ND1-OG1 3.47Å; H431-T433 VanDerWaalsContact ND1-OG1 3.14Å; H431-T433 PolarHBondContact O-N 3.04Å; H431-T433 VanDerWaalsContact O-N 3.07Å; H431-H434 PolarHBondContact O-N 3.42Å; H431-H434 VanDerWaalsContact O-N 3.08Å; H431-N435 PolarHBondContact O-N 3.32Å; H431-N435 VanDerWaalsContact O-N 3.12Å
432P84.8Confident85.1Confident47 Ų4756.6 Ų56.631%0.30525%0.246SC..Hα-helixtrans-54.3-33.6-176.9-29.135.4000114.7M436P432-M436 WeakPolarHBondContact O-CB 3.13Å; P432-M436 PolarHBondContact O-N 3.12Å
433T83.3Confident85.3Confident2 Ų258.5 Ų58.51%0.01226%0.257CS..Hα-helixtrans-68.7-45178.3-450000112.1S167 L394 M397 Y427 H431 M436 V437S167-T433 PolarHBondContact O-OG1 2.97Å; L394-T433 HydrophobicContact CD2-CG2 4.16Å; M397-T433 HydrophobicContact SD-CG2 4.43Å; Y427-T433 HydrophobicContact CE2-CG2 3.98Å; H431-T433 PolarHBondContact CE1-OG1 3.01Å; H431-T433 WeakPolarHBondContact ND1-CB 3.41Å; H431-T433 PolarHBondContact ND1-N 3.11Å; H431-T433 PolarHBondContact ND1-OG1 3.47Å; H431-T433 VanDerWaalsContact ND1-OG1 3.14Å; H431-T433 PolarHBondContact O-N 3.04Å; H431-T433 VanDerWaalsContact O-N 3.07Å; T433-M436 WeakPolarHBondContact O-CB 3.45Å; T433-M436 PolarHBondContact O-N 2.83Å; T433-M436 VanDerWaalsContact O-N 3.12Å; T433-V437 WeakPolarHBondContact O-CG2 3.35Å; T433-V437 PolarHBondContact O-N 3.08Å
434H88Confident85.6Confident12 Ų1258.6 Ų58.66%0.05626%0.257CS..Hα-helixtrans-63.5-44.8177.7-176.165.1000110.7S423 R429 H431 M436 V437 L438S423-H434 PolarHBondContact OG-ND1 3.5Å; R429-H434 PolarHBondContact O-CD2 3.08Å; H431-H434 PolarHBondContact O-N 3.42Å; H431-H434 VanDerWaalsContact O-N 3.08Å; H434-M436 PolarHBondContact O-N 3.44Å; H434-V437 WeakPolarHBondContact O-CB 3.49Å; H434-V437 PolarHBondContact O-N 3Å; H434-V437 VanDerWaalsContact O-N 3.08Å; H434-L438 PolarHBondContact O-N 2.66Å
435N87.9Confident86Confident61 Ų6153.9 Ų53.933%0.32624%0.241SC..Hα-helixtrans-58.4-34.4173.1-77.9-40.1000113.2E430 H431 R439E430-N435 PolarHBondContact O-ND2 2.71Å; H431-N435 PolarHBondContact O-N 3.32Å; H431-N435 VanDerWaalsContact O-N 3.12Å; N435-R439 VanDerWaalsContact O-CG 3.28Å; N435-R439 WeakPolarHBondContact O-CG 2.94Å; N435-R439 PolarHBondContact O-N 3.48Å; N435-R439 VanDerWaalsContact O-N 3.16Å
436M87.5Confident86.5Confident56 Ų5657 Ų5728%0.27625%0.253SS..Hα-helixtrans-67.5-42.2174.8-174.1-178.4-57.900111.9T168 M397 P432 T433 H434 R439 F440T168-M436 HydrophobicContact CG2-CE 4.36Å; M397-M436 HydrophobicContact CE-CB 4.47Å; M397-M436 HydrophobicContact CE-CG 4.02Å; M397-M436 HydrophobicContact CE-SD 3.94Å; P432-M436 WeakPolarHBondContact O-CB 3.13Å; P432-M436 PolarHBondContact O-N 3.12Å; T433-M436 WeakPolarHBondContact O-CB 3.45Å; T433-M436 PolarHBondContact O-N 2.83Å; T433-M436 VanDerWaalsContact O-N 3.12Å; H434-M436 PolarHBondContact O-N 3.44Å; M436-R439 PolarHBondContact O-N 2.69Å; M436-F440 HydrophobicContact CG-CD2 4.11Å; M436-F440 HydrophobicContact CG-CE2 3.47Å; M436-F440 VanDerWaalsContact CG-CE2 3.47Å; M436-F440 HydrophobicContact CG-CZ 3.83Å; M436-F440 WeakPolarHBondContact O-CD2 3.37Å; M436-F440 PolarHBondContact O-N 2.79Å; M436-F440 VanDerWaalsContact O-N 3.14Å; M436-F440 HydrophobicContact SD-CE2 3.85Å; M436-F440 HydrophobicContact SD-CZ 4.16Å
437V89.5Confident87.1Confident0 Ų062.4 Ų62.40%027%0.273CS..Hα-helixtrans-61.1-48.7176.21780000110.6M397 A419 C420 T433 H434 R439 F440 L441M397-V437 HydrophobicContact CE-CG2 3.74Å; M397-V437 HydrophobicContact CG-CG2 3.8Å; M397-V437 HydrophobicContact SD-CG2 3.37Å; M397-V437 WeakPolarHBondContact SD-CG2 2.97Å; A419-V437 HydrophobicContact CB-CG1 3.98Å; A419-V437 HydrophobicContact CB-CG2 4.4Å; C420-V437 HydrophobicContact CB-CG1 3.9Å; T433-V437 WeakPolarHBondContact O-CG2 3.35Å; T433-V437 PolarHBondContact O-N 3.08Å; H434-V437 WeakPolarHBondContact O-CB 3.49Å; H434-V437 PolarHBondContact O-N 3Å; H434-V437 VanDerWaalsContact O-N 3.08Å; V437-R439 VanDerWaalsContact C-N 3.3Å; V437-R439 PolarHBondContact O-N 3.45Å; V437-F440 PolarHBondContact O-N 3.42Å; V437-F440 VanDerWaalsContact O-N 3.1Å; V437-L441 PolarHBondContact O-N 3.24Å
438L91.5Very high87.5Confident56 Ų5662.2 Ų62.229%0.29327%0.273SS..Hα-helixtrans-57.4-42.8178.8-70.2176.3000112.3H434 F440 L441 D442H434-L438 PolarHBondContact O-N 2.66Å; L438-F440 PolarHBondContact O-N 3.27Å; L438-L441 PolarHBondContact O-N 2.89Å; L438-D442 WeakPolarHBondContact O-CB 3.43Å; L438-D442 PolarHBondContact O-N 3.45Å
439R91.3Very high88Confident187 Ų18761.4 Ų61.471%0.70627%0.272SS*.Hα-helixtrans-63.7-38.4176.6-72.9174.1-172.2-174.23.1112.9N435 M436 V437 D443N435-R439 VanDerWaalsContact O-CG 3.28Å; N435-R439 WeakPolarHBondContact O-CG 2.94Å; N435-R439 PolarHBondContact O-N 3.48Å; N435-R439 VanDerWaalsContact O-N 3.16Å; M436-R439 PolarHBondContact O-N 2.69Å; V437-R439 VanDerWaalsContact C-N 3.3Å; V437-R439 PolarHBondContact O-N 3.45Å; R439-D443 PolarHBondContact O-N 3.13Å
440F91.6Very high88.5Confident69 Ų6956.2 Ų56.230%0.30327%0.274SS..Hα-helixtrans-71.5-36.7176.7-68.4-32.8000112.3M397 R401 L416 M436 V437 L438 D443 C444M397-F440 HydrophobicContact CE-CD2 3.97Å; M397-F440 HydrophobicContact CE-CE2 3.88Å; R401-F440 VanDerWaalsContact NH2-CZ 3.28Å; L416-F440 HydrophobicContact CD1-CB 4.23Å; L416-F440 HydrophobicContact CD2-CB 3.69Å; M436-F440 HydrophobicContact CG-CD2 4.11Å; M436-F440 HydrophobicContact CG-CE2 3.47Å; M436-F440 VanDerWaalsContact CG-CE2 3.47Å; M436-F440 HydrophobicContact CG-CZ 3.83Å; M436-F440 WeakPolarHBondContact O-CD2 3.37Å; M436-F440 PolarHBondContact O-N 2.79Å; M436-F440 VanDerWaalsContact O-N 3.14Å; M436-F440 HydrophobicContact SD-CE2 3.85Å; M436-F440 HydrophobicContact SD-CZ 4.16Å; V437-F440 PolarHBondContact O-N 3.42Å; V437-F440 VanDerWaalsContact O-N 3.1Å; L438-F440 PolarHBondContact O-N 3.27Å; F440-D443 PolarHBondContact O-N 2.85Å; F440-C444 WeakPolarHBondContact O-CB 3.32Å; F440-C444 PolarHBondContact O-N 2.91Å
441L92.5Very high88.7Confident18 Ų1856 Ų569%0.09427%0.271CS..Hα-helixtrans-61.3-48.5174.3-17760.6000110.7K413 L416 L417 V437 L438 D443 C444 E445K413-L441 HydrophobicContact CG-CD1 4.14Å; L416-L441 HydrophobicContact CB-CB 4.31Å; L416-L441 HydrophobicContact CB-CD1 3.83Å; L417-L441 HydrophobicContact CD2-CD1 4.09Å; L417-L441 HydrophobicContact CD2-CD2 3.93Å; L417-L441 HydrophobicContact CG-CD1 4.25Å; V437-L441 PolarHBondContact O-N 3.24Å; L438-L441 PolarHBondContact O-N 2.89Å; L441-D443 PolarHBondContact O-N 3.17Å; L441-C444 WeakPolarHBondContact O-CB 3.15Å; L441-C444 PolarHBondContact O-N 3.46Å; L441-C444 VanDerWaalsContact O-N 3.15Å; L441-E445 HydrophobicContact CD1-CG 4.44Å; L441-E445 WeakPolarHBondContact O-CG 3.24Å; L441-E445 PolarHBondContact O-N 2.95Å
442D91.4Very high88.3Confident54 Ų5455.7 Ų55.729%0.28927%0.271SS..Hα-helixtrans-61.1-40.2176.8175.980.4000113L438 R446L438-D442 WeakPolarHBondContact O-CB 3.43Å; L438-D442 PolarHBondContact O-N 3.45Å; D442-R446 WeakPolarHBondContact O-CG 3.18Å; D442-R446 PolarHBondContact O-N 3.23Å; D442-R446 VanDerWaalsContact O-N 3.07Å; D442-R446 PolarHBondContact O-NE 3.03Å; D442-R446 IonicContact OD2-CZ 2.65Å; D442-R446 IonicContact OD2-NE 3.1Å; D442-R446 PolarHBondContact OD2-NE 3.19Å; D442-R446 IonicContact OD2-NH2 3.01Å; D442-R446 PolarHBondContact OD2-NH2 3.05Å
443D91.8Very high87.7Confident51 Ų5154.8 Ų54.827%0.27326%0.263SS..Hα-helixtrans-64.6-41173.5-173.357.5000112R439 F440 L441 R446 R447R439-D443 PolarHBondContact O-N 3.13Å; F440-D443 PolarHBondContact O-N 2.85Å; L441-D443 PolarHBondContact O-N 3.17Å; D443-R446 PolarHBondContact O-N 3.33Å; D443-R447 WeakPolarHBondContact O-CG 3.23Å; D443-R447 PolarHBondContact O-N 3.07Å; D443-R447 VanDerWaalsContact O-N 3.12Å; D443-R447 IonicContact OD1-NE 2.72Å; D443-R447 IonicContact OD2-CZ 3.51Å; D443-R447 VanDerWaalsContact OD2-CZ 3.25Å; D443-R447 IonicContact OD2-NE 2.66Å; D443-R447 PolarHBondContact OD2-NE 2.97Å; D443-R447 IonicContact OD2-NH2 3.8Å; D443-R447 PolarHBondContact OD2-NH2 3.43Å
444C92.3Very high86.9Confident2 Ų255.6 Ų55.61%0.01427%0.268CS..Hα-helixtrans-65.1-43.9178-171.10000111.9T412 L416 F440 L441 R447 L448T412-C444 HydrophobicContact CG2-CB 4.35Å; T412-C444 VanDerWaalsContact CG2-SG 3.58Å; L416-C444 HydrophobicContact CD1-CB 3.76Å; F440-C444 WeakPolarHBondContact O-CB 3.32Å; F440-C444 PolarHBondContact O-N 2.91Å; L441-C444 WeakPolarHBondContact O-CB 3.15Å; L441-C444 PolarHBondContact O-N 3.46Å; L441-C444 VanDerWaalsContact O-N 3.15Å; C444-R447 PolarHBondContact O-N 3.47Å; C444-L448 PolarHBondContact O-N 3.03Å
445E90.2Very high85.4Confident32 Ų3255.6 Ų55.615%0.1527%0.269CS..Hα-helixtrans-63-43.5177.4-71.2-171.7146.600111.3K413 L441 R447 L448 I449K413-E445 HydrophobicContact CD-CG 4.33Å; K413-E445 IonicContact NZ-OE1 3.07Å; K413-E445 PolarHBondContact NZ-OE1 2.93Å; L441-E445 HydrophobicContact CD1-CG 4.44Å; L441-E445 WeakPolarHBondContact O-CG 3.24Å; L441-E445 PolarHBondContact O-N 2.95Å; E445-R447 VanDerWaalsContact C-N 3.27Å; E445-R447 PolarHBondContact O-N 3.42Å; E445-L448 PolarHBondContact O-N 3.43Å; E445-I449 VanDerWaalsContact O-CG1 3.24Å; E445-I449 WeakPolarHBondContact O-CG1 3.31Å; E445-I449 PolarHBondContact O-N 3.03Å
446R90Very high84Confident150 Ų15061.3 Ų61.357%0.56629%0.287SS*.Hα-helixtrans-59.3-37.2174.2-75.8-173.4-77169.7-5.6112.9D442 D443 G450D442-R446 WeakPolarHBondContact O-CG 3.18Å; D442-R446 PolarHBondContact O-N 3.23Å; D442-R446 VanDerWaalsContact O-N 3.07Å; D442-R446 PolarHBondContact O-NE 3.03Å; D442-R446 IonicContact OD2-CZ 2.65Å; D442-R446 IonicContact OD2-NE 3.1Å; D442-R446 PolarHBondContact OD2-NE 3.19Å; D442-R446 IonicContact OD2-NH2 3.01Å; D442-R446 PolarHBondContact OD2-NH2 3.05Å; D443-R446 PolarHBondContact O-N 3.33Å; R446-G450 PolarHBondContact O-N 3.35Å
447R91Very high82.4Confident114 Ų11460.2 Ų60.243%0.4329%0.291SS..Hα-helixtrans-69.9-38.3175.5-68.7174.9-166.4-1456.6112.9L409 D443 C444 E445 G450 K451L409-R447 HydrophobicContact CD1-CB 3.83Å; L409-R447 HydrophobicContact CD2-CB 4.26Å; D443-R447 WeakPolarHBondContact O-CG 3.23Å; D443-R447 PolarHBondContact O-N 3.07Å; D443-R447 VanDerWaalsContact O-N 3.12Å; D443-R447 IonicContact OD1-NE 2.72Å; D443-R447 IonicContact OD2-CZ 3.51Å; D443-R447 VanDerWaalsContact OD2-CZ 3.25Å; D443-R447 IonicContact OD2-NE 2.66Å; D443-R447 PolarHBondContact OD2-NE 2.97Å; D443-R447 IonicContact OD2-NH2 3.8Å; D443-R447 PolarHBondContact OD2-NH2 3.43Å; C444-R447 PolarHBondContact O-N 3.47Å; E445-R447 VanDerWaalsContact C-N 3.27Å; E445-R447 PolarHBondContact O-N 3.42Å; R447-G450 PolarHBondContact O-N 3.17Å; R447-K451 PolarHBondContact O-N 3.34Å; R447-K451 VanDerWaalsContact O-N 3.16Å
448L88Confident80.8Confident2 Ų264.1 Ų64.11%0.0131%0.311CS..Hα-helixtrans-61.8-50.5174.6-76.6165.7000110.5L409 V410 K413 C444 E445 G450 K451 G452 I453L409-L448 HydrophobicContact CB-CD2 3.46Å; L409-L448 VanDerWaalsContact CB-CD2 3.46Å; L409-L448 HydrophobicContact CB-CG 3.93Å; L409-L448 HydrophobicContact CD1-CD2 4.24Å; L409-L448 HydrophobicContact CD1-CG 4.4Å; V410-L448 HydrophobicContact CG2-CD2 4.36Å; K413-L448 HydrophobicContact CB-CD1 4.03Å; K413-L448 HydrophobicContact CD-CD1 3.7Å; K413-L448 HydrophobicContact CG-CD1 4.43Å; C444-L448 PolarHBondContact O-N 3.03Å; E445-L448 PolarHBondContact O-N 3.43Å; L448-G450 VanDerWaalsContact C-N 3.29Å; L448-G450 PolarHBondContact O-N 2.81Å; L448-K451 CarbonylContact O-C 3.53Å; L448-K451 WeakPolarHBondContact O-CA 3.08Å; L448-K451 PolarHBondContact O-N 3.47Å; L448-G452 PolarHBondContact O-N 3.06Å; L448-I453 CarbonylContact C-O 3.54Å; L448-I453 HydrophobicContact CB-CB 4.39Å; L448-I453 HydrophobicContact CD2-CB 3.93Å; L448-I453 HydrophobicContact CD2-CD1 4.17Å; L448-I453 HydrophobicContact CD2-CG2 3.77Å; L448-I453 PolarHBondContact O-N 2.93Å; L448-I453 VanDerWaalsContact O-O 3.11Å
449I85.4Confident78.9Confident48 Ų4869.4 Ų69.425%0.24633%0.334CS..Hα-helixtrans-57.4-44.6176.5-62.6173.1000110.5E445 K451 G452 I453 I465E445-I449 VanDerWaalsContact O-CG1 3.24Å; E445-I449 WeakPolarHBondContact O-CG1 3.31Å; E445-I449 PolarHBondContact O-N 3.03Å; I449-K451 PolarHBondContact O-N 3.44Å; I449-G452 PolarHBondContact O-N 3.34Å; I449-I453 PolarHBondContact N-O 3.5Å; I449-I465 HydrophobicContact CB-CG2 4.43Å; I449-I465 HydrophobicContact CD1-CG2 4.09Å; I449-I465 HydrophobicContact CG1-CG2 3.79Å; I449-I465 HydrophobicContact CG2-CB 4.21Å; I449-I465 HydrophobicContact CG2-CD1 4.23Å; I449-I465 HydrophobicContact CG2-CG2 3.96Å
450G86.1Confident77.1Confident69 Ų6966 Ų6671%0.71132%0.322SS*.Hα-helixtrans-62.1-20.8176.200000114.6R446 R447 L448R446-G450 PolarHBondContact O-N 3.35Å; R447-G450 PolarHBondContact O-N 3.17Å; L448-G450 VanDerWaalsContact C-N 3.29Å; L448-G450 PolarHBondContact O-N 2.81Å
451K84.2Confident75.1Confident134 Ų13470.1 Ų70.158%0.58334%0.339SS*.THydrogen-bonded Turntrans-94.63.1173-72.6-162.9-179.5-175.70113.9L409 R447 L448 I449 I453L409-K451 HydrophobicContact CD1-CD 3.83Å; L409-K451 HydrophobicContact CD1-CG 4.43Å; R447-K451 PolarHBondContact O-N 3.34Å; R447-K451 VanDerWaalsContact O-N 3.16Å; L448-K451 CarbonylContact O-C 3.53Å; L448-K451 WeakPolarHBondContact O-CA 3.08Å; L448-K451 PolarHBondContact O-N 3.47Å; I449-K451 PolarHBondContact O-N 3.44Å; K451-I453 HydrophobicContact CB-CD1 4.07Å; K451-I453 HydrophobicContact CB-CG1 4.13Å; K451-I453 HydrophobicContact CD-CD1 4.47Å; K451-I453 PolarHBondContact O-N 2.81Å
452G76.5Confident73Confident5 Ų574.3 Ų74.35%0.05237%0.368CS..THydrogen-bonded Turntrans71.718.5-174.200000113.5L448 I449 Y460L448-G452 PolarHBondContact O-N 3.06Å; I449-G452 PolarHBondContact O-N 3.34Å; G452-Y460 PolarHBondContact O-N 3.05Å
453I72Confident71.1Confident28 Ų2876.7 Ų76.714%0.14439%0.389CS..BIsolated β-bridgetrans-99.4119.1176.1-54.5171.5000106.5L448 I449 K451L448-I453 CarbonylContact C-O 3.54Å; L448-I453 HydrophobicContact CB-CB 4.39Å; L448-I453 HydrophobicContact CD2-CB 3.93Å; L448-I453 HydrophobicContact CD2-CD1 4.17Å; L448-I453 HydrophobicContact CD2-CG2 3.77Å; L448-I453 PolarHBondContact O-N 2.93Å; L448-I453 VanDerWaalsContact O-O 3.11Å; I449-I453 PolarHBondContact N-O 3.5Å; K451-I453 HydrophobicContact CB-CD1 4.07Å; K451-I453 HydrophobicContact CB-CG1 4.13Å; K451-I453 HydrophobicContact CD-CD1 4.47Å; K451-I453 PolarHBondContact O-N 2.81Å
454D66.7Low69Low20 Ų2080.2 Ų80.211%0.10740%0.403CS..  trans-59.8148.8173129.849.4000109.7Y456 G457 I458 Y460D454-Y456 VanDerWaalsContact CG-N 3.34Å; D454-Y456 PolarHBondContact O-N 3.17Å; D454-Y456 WeakPolarHBondContact OD1-CD2 3.39Å; D454-Y456 PolarHBondContact OD1-N 3.07Å; D454-G457 PolarHBondContact O-N 3.21Å; D454-I458 PolarHBondContact N-O 3.4Å; D454-I458 WeakPolarHBondContact OD2-CB 3.47Å; D454-Y460 HydrophobicContact CB-CD2 4Å; D454-Y460 HydrophobicContact CB-CE2 4.4Å
455P55.5Low66.8Low11 Ų1182 Ų827%0.07141%0.412CS..THydrogen-bonded Turntrans-32.7-30.1165.9-3537000117.4K413 I468K413-P455 VanDerWaalsContact CD-O 3.22Å; K413-P455 WeakPolarHBondContact CD-O 3.21Å; K413-P455 WeakPolarHBondContact CE-O 3.43Å; K413-P455 VanDerWaalsContact NZ-CB 3.27Å; K413-P455 PolarHBondContact NZ-O 3.22Å; P455-I468 HydrophobicContact CB-CD1 3.97Å; P455-I468 HydrophobicContact CG-CD1 3.9Å
456Y59Low64.5Low181 Ų18189.7 Ų89.771%0.7145%0.445SS*.THydrogen-bonded Turntrans-94.45.9178.6-55.2-72.7000115D454D454-Y456 VanDerWaalsContact CG-N 3.34Å; D454-Y456 PolarHBondContact O-N 3.17Å; D454-Y456 WeakPolarHBondContact OD1-CD2 3.39Å; D454-Y456 PolarHBondContact OD1-N 3.07Å
457G54.8Low62.4Low34 Ų3485.4 Ų85.435%0.35144%0.438SS..SBendtrans86.912.9178.100000114.7D454D454-G457 PolarHBondContact O-N 3.21Å
458I55.1Low60.1Low82 Ų8283.1 Ų83.142%0.42143%0.434SS..  trans-93.9131.4179.6-49175.2000109.4D454 Y460D454-I458 PolarHBondContact N-O 3.4Å; D454-I458 WeakPolarHBondContact OD2-CB 3.47Å; I458-Y460 HydrophobicContact CB-CD2 4.07Å; I458-Y460 HydrophobicContact CB-CE2 3.55Å; I458-Y460 HydrophobicContact CD1-CE2 4.39Å; I458-Y460 HydrophobicContact CG2-CD2 3.86Å; I458-Y460 HydrophobicContact CG2-CE2 3.2Å
459E52.3Low57.9Low166 Ų16687.5 Ų87.578%0.77646%0.461SS*.BIsolated β-bridgetrans-75.7125.8176.5-68.4-175.2168.600111.2
460Y53.8Low55.7Low116 Ų11691.2 Ų91.246%0.45549%0.486SS..  trans-137.1163.3174.3-73.3-78.7000111.6G452 D454 I458 E464G452-Y460 PolarHBondContact O-N 3.05Å; D454-Y460 HydrophobicContact CB-CD2 4Å; D454-Y460 HydrophobicContact CB-CE2 4.4Å; I458-Y460 HydrophobicContact CB-CD2 4.07Å; I458-Y460 HydrophobicContact CB-CE2 3.55Å; I458-Y460 HydrophobicContact CD1-CE2 4.39Å; I458-Y460 HydrophobicContact CG2-CD2 3.86Å; I458-Y460 HydrophobicContact CG2-CE2 3.2Å; Y460-E464 WeakPolarHBondContact CD1-OE2 3.47Å
461K48.4Very low53.2Low156 Ų15695 Ų9568%0.67849%0.489SS*.  trans-65.7136.9172-75-178.9179175.50109.3S463 E464K461-S463 PolarHBondContact O-N 3.3Å; K461-E464 PolarHBondContact O-N 2.97Å; K461-E464 VanDerWaalsContact O-N 3.11Å
462P48.3Very low50.9Low106 Ų10696.6 Ų96.669%0.68850%0.499SS*.G310 helixtrans-52.7-17.2-176.2-29.334.1000116.5E464P462-E464 VanDerWaalsContact C-N 3.29Å; P462-E464 PolarHBondContact O-N 3.14Å
463S51.6Low48.7Very low104 Ų104100.1 Ų100.173%0.72754%0.535SS*.G310 helixtrans-73.4-9.7178.550.40000115.2K461K461-S463 PolarHBondContact O-N 3.3Å
464E48.2Very low46.5Very low125 Ų125107.9 Ų107.958%0.58457%0.568SS**G310 helixtrans-106.6-4.5-169-66.5176.3161.600114.4Y460 K461 P462Y460-E464 WeakPolarHBondContact CD1-OE2 3.47Å; K461-E464 PolarHBondContact O-N 2.97Å; K461-E464 VanDerWaalsContact O-N 3.11Å; P462-E464 VanDerWaalsContact C-N 3.29Å; P462-E464 PolarHBondContact O-N 3.14Å
465I44.9Very low44.7Very low38 Ų38112.9 Ų112.920%0.19560%0.601CS.*  trans-96.2112.9-170.6-51.9171.4000112I449I449-I465 HydrophobicContact CB-CG2 4.43Å; I449-I465 HydrophobicContact CD1-CG2 4.09Å; I449-I465 HydrophobicContact CG1-CG2 3.79Å; I449-I465 HydrophobicContact CG2-CB 4.21Å; I449-I465 HydrophobicContact CG2-CD1 4.23Å; I449-I465 HydrophobicContact CG2-CG2 3.96Å
466K43.3Very low43.5Very low195 Ų195122.3 Ų122.385%0.84864%0.641SS**  trans-94.8129.9167.3-71.2-176.7-179.4176.90110.4
467S44.8Very low42.2Very low60 Ų60117 Ų11742%0.4264%0.642SS.*  trans-58.1134.4177.9-178.90000113.1T469 T470S467-T469 VanDerWaalsContact C-N 3.25Å; S467-T469 PolarHBondContact O-N 3.36Å; S467-T469 PolarHBondContact OG-N 3.26Å; S467-T469 PolarHBondContact OG-OG1 3.12Å; S467-T470 PolarHBondContact O-OG1 3.35Å
468I43.2Very low40.9Very low66 Ų66121.6 Ų121.634%0.33867%0.668SS.*G310 helixtrans-79.50.1178.4-70.8175.4000112.9P455 T470 L471P455-I468 HydrophobicContact CB-CD1 3.97Å; P455-I468 HydrophobicContact CG-CD1 3.9Å; I468-T470 PolarHBondContact O-N 3.04Å; I468-L471 HydrophobicContact CG2-CD1 4.32Å; I468-L471 PolarHBondContact O-N 3.38Å
469T41.2Very low39.8Very low94 Ų94121 Ų12158%0.57768%0.682SS**G310 helixtrans-60.72.2173.345.30000115.2S467S467-T469 VanDerWaalsContact C-N 3.25Å; S467-T469 PolarHBondContact O-N 3.36Å; S467-T469 PolarHBondContact OG-N 3.26Å; S467-T469 PolarHBondContact OG-OG1 3.12Å
470T39.5Very low38.7Very low126 Ų126119.4 Ų119.477%0.77369%0.689SS**G310 helixtrans-92.1-2.4176.9-16.80000114.5S467 I468S467-T470 PolarHBondContact O-OG1 3.35Å; I468-T470 PolarHBondContact O-N 3.04Å
471L34.3Very low37.7Very low149 Ų149117.3 Ų117.378%0.7870%0.703SS**SBendtrans-1005.6-176.2-75.7174000116.3I468I468-L471 HydrophobicContact CG2-CD1 4.32Å; I468-L471 PolarHBondContact O-N 3.38Å
472Q36Very low36.9Very low167 Ų167117.5 Ų117.578%0.7871%0.712SS**SBendtrans-117.6102.9168.2-68.4-173-6.100109.6K474Q472-K474 PolarHBondContact O-N 2.87Å
473G29.4Very low36.4Very low79 Ų79122.3 Ų122.381%0.81472%0.722SS**PPolyproline II helixtrans-53126.7177.900000111.2
474K26.8Very low35.6Very low191 Ų191127 Ų12783%0.8373%0.732SS**PPolyproline II helixtrans-50.1137.6164-75.6178.4175.7176.30108.4Q472 K476Q472-K474 PolarHBondContact O-N 2.87Å; K474-K476 PolarHBondContact O-N 3.39Å; K474-K476 VanDerWaalsContact O-N 3.07Å
475P28.3Very low34.7Very low124 Ų124130 Ų13081%0.80575%0.746SS**PPolyproline II helixtrans-58.1121.7168.726.1-31.4000107G477P475-G477 PolarHBondContact O-N 3.43Å
476K30Very low34.3Very low210 Ų210138.1 Ų138.191%0.91378%0.78SS**  trans-59.7102.1174.5-77.4-175.9175.7-178.90107.1K474 S478K474-K476 PolarHBondContact O-N 3.39Å; K474-K476 VanDerWaalsContact O-N 3.07Å; K476-S478 PolarHBondContact O-N 2.88Å
477G31.1Very low33.8Very low70 Ų70137.4 Ų137.472%0.72278%0.78SS**  trans-60127.9167.400000108.3P475 G479P475-G477 PolarHBondContact O-N 3.43Å; G477-G479 PolarHBondContact O-N 2.91Å
478S28.6Very low33.3Very low130 Ų130141.3 Ų141.391%0.90980%0.796SS**  trans-55.496.8168.550.50000109.4K476K476-S478 PolarHBondContact O-N 2.88Å
479G31.6Very low33.1Very low69 Ų69147.1 Ų147.171%0.71182%0.819SS**  trans-115.2100169.200000107.9G477 G481G477-G479 PolarHBondContact O-N 2.91Å; G479-G481 PolarHBondContact O-N 3.42Å
480S30.2Very low33Very low132 Ų132150.4 Ų150.492%0.92383%0.827SS**  trans-51.7125.6162.748.20000109.7
481G32.9Very low33Very low73 Ų73151.6 Ų151.675%0.75382%0.824SS**  trans-172.680.5-18000000110.2G479G479-G481 PolarHBondContact O-N 3.42Å
482D31.4Very low33.3Very low159 Ų159150.3 Ų150.385%0.8582%0.818SS**  trans-52131.2165.5-63.5-49.8000110.5
483K36.3Very low33.5Very low207 Ų207150.7 Ų150.790%0.982%0.817SS**  trans-180113.8138.3-98.7163.8-172.7-171.30110.5
484E34.4Very low34.3Very low202 Ų202153.3 Ų153.394%0.94482%0.817SS**  trans-67.1131.8168.6-68.4174.5135.800110.6
485E30.6Very low35.1Very low188 Ų188159.3 Ų159.388%0.87984%0.835SS**  trans-92.9133.5156.1-84.8177.5162.500108.7
486K36.5Very low35.5Very low210 Ų210161.1 Ų161.191%0.91384%0.836SS**  trans-157.3101.5143.4-107.6175.1-169.5-178.10109.1
487E32.3Very low35.7Very low180 Ų180158.5 Ų158.584%0.84183%0.832SS**  trans-71.1164158.9-78.7-177.4149.800110.8
488D34.1Very low36Very low141 Ų141163.4 Ų163.475%0.75484%0.838SS**  trans83.592.6165-63.5-14.8000118.8
489K40.3Very low36.4Very low188 Ų188165.4 Ų165.482%0.81783%0.834SS**  179.4121.195.2-93167.3-172.9-175.60111.7
490E37.2Very low36.7Very low163 Ų163171.4 Ų171.476%0.76284%0.842SS**  42133.2129.9-89.1-177.4148.200121.6
491H41.5Very low37.2Very low152 Ų152174 Ų17470%0.70484%0.836SS**  trans102.9100.6148.6-79.853000119.9
492N39.7Very low37.5Very low121 Ų121181.2 Ų181.265%0.64784%0.842SS**  76.9104.6128.1-92.4-23.9000121.3
493K39.5Very low37.9Very low175 Ų175182.9 Ų182.976%0.76184%0.842SS**  63124.8117.2-78.4-177.4179.2175.30120.2
494T46.6Very low38.1Very low134 Ų134180.9 Ų180.982%0.82284%0.837SS**  trans67.511414544.40000115.3
495R44.3Very low38.4Very low317 Ų317179 Ų179100%1.19683%0.827SS**  -164.6057.5-160.1-179.9-168.2-1782.6110.6

Retrieved 495 of 495 residues in 1298.2 ms (Link to these results)

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