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Serine/threonine-protein phosphatase 4 regulatory subunit 3A

Regulatory subunit of serine/threonine-protein phosphatase 4. May regulate the activity of PPP4C at centrosomal microtubule organizing centers. The PPP4C-PPP4R2-PPP4R3A PP4 complex specifically dephosphorylates H2AX phosphorylated on 'Ser-140' (gamma-H2AX) generated during DNA replication and required for DNA DSB repair.

AlphaFold DB , UniProt , Accession Q6IN85, Species HUMAN (Homo sapiens, Human), Gene PPP4R3A, Length 833 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
1M30.9Very low78.8Confident234 Ų23485.4 Ų85.4100%1.15341%0.405SS*.  0137.70-70-176.2-16700106.6
2T45.8Very low79.8Confident123 Ų12380.8 Ų80.876%0.75539%0.386SS*.  trans65.266.9166.365.20000119
3D63.4Low80.5Confident95 Ų9577.8 Ų77.851%0.50837%0.374SS..  trans-111.51.9155-140.2-5.2000112.8R5 R6 H26D3-R5 PolarHBondContact O-N 3.49Å; D3-R6 PolarHBondContact O-N 3.29Å; D3-H26 VanDerWaalsContact CG-CD2 3.41Å; D3-H26 PolarHBondContact O-CD2 2.71Å; D3-H26 VanDerWaalsContact O-CD2 3.27Å; D3-H26 PolarHBondContact O-NE2 2.79Å; D3-H26 IonicContact OD1-CD2 2.7Å; D3-H26 PolarHBondContact OD1-CD2 3.44Å; D3-H26 IonicContact OD2-CD2 3.48Å; D3-H26 IonicContact OD2-NE2 2.69Å
4T76.4Confident80.4Confident58 Ų5875 Ų7536%0.35636%0.362SS..G310 helixtrans-60.5-28.4171.650.10000112.2R6 R7 E86T4-R6 PolarHBondContact O-N 3.24Å; T4-R7 WeakPolarHBondContact O-CB 3.47Å; T4-R7 PolarHBondContact O-N 3.34Å; T4-R7 VanDerWaalsContact O-N 3.13Å; T4-E86 WeakPolarHBondContact CB-OE1 3.39Å; T4-E86 PolarHBondContact OG1-OE1 2.86Å
5R83.9Confident80.2Confident110 Ų11083.3 Ų83.342%0.41540%0.4SS..G310 helixtrans-56.8-34.3178.1-172.1177.7179-171.7-0.8112.9D3 E86 A88 G89 E92D3-R5 PolarHBondContact O-N 3.49Å; R5-E86 VanDerWaalsContact CA-OE2 3.31Å; R5-E86 WeakPolarHBondContact CA-OE2 3.22Å; R5-A88 HydrophobicContact CG-CB 4.45Å; R5-A88 PolarHBondContact NE-O 2.89Å; R5-A88 VanDerWaalsContact NE-O 3.11Å; R5-A88 PolarHBondContact NH2-O 3.23Å; R5-G89 WeakPolarHBondContact O-CA 3.45Å; R5-E92 IonicContact CZ-OE2 2.87Å; R5-E92 IonicContact NE-OE2 2.72Å; R5-E92 PolarHBondContact NE-OE2 2.97Å; R5-E92 IonicContact NH1-OE2 3.34Å; R5-E92 IonicContact NH2-OE2 2.78Å; R5-E92 PolarHBondContact NH2-OE2 3.21Å
6R88.6Confident80.1Confident99 Ų9986.3 Ų86.337%0.37442%0.418SS..G310 helixtrans-102.35.4-178-70.4-178.5173.8-177.3-2.3113.3D3 T4 V8 H26 V27 E92D3-R6 PolarHBondContact O-N 3.29Å; T4-R6 PolarHBondContact O-N 3.24Å; R6-V8 PolarHBondContact O-N 2.9Å; R6-H26 CarbonylContact O-C 3.57Å; R6-H26 VanDerWaalsContact O-CA 3.3Å; R6-H26 WeakPolarHBondContact O-CA 3.46Å; R6-V27 PolarHBondContact O-N 3Å; R6-E92 IonicContact CZ-OE1 2.84Å; R6-E92 IonicContact NE-OE1 3.94Å; R6-E92 IonicContact NH2-OE1 3.42Å; R6-E92 PolarHBondContact NH2-OE1 3.46Å
7R94.1Very high80Confident79 Ų7992.9 Ų92.930%0.29844%0.438SS..EExtended strand (participates in β ladder)trans-76.5124-177.3-169.3162.7-179.3-93.8-2.9110.4T4 T24 G25 E45 Q85T4-R7 WeakPolarHBondContact O-CB 3.47Å; T4-R7 PolarHBondContact O-N 3.34Å; T4-R7 VanDerWaalsContact O-N 3.13Å; R7-T24 HydrophobicContact CG-CG2 4.06Å; R7-G25 CarbonylContact C-O 3.58Å; R7-G25 WeakPolarHBondContact CA-O 3.27Å; R7-E45 WeakPolarHBondContact CD-OE1 3.31Å; R7-E45 IonicContact CZ-OE1 3.7Å; R7-E45 IonicContact CZ-OE2 3.5Å; R7-E45 IonicContact NE-OE1 2.83Å; R7-E45 PolarHBondContact NE-OE1 3.33Å; R7-E45 IonicContact NE-OE2 3.56Å; R7-E45 PolarHBondContact NE-OE2 3.27Å; R7-E45 IonicContact NH2-OE1 3.55Å; R7-E45 IonicContact NH2-OE2 2.74Å; R7-E45 PolarHBondContact NH2-OE2 3.01Å; R7-Q85 HydrophobicContact CB-CB 4.36Å; R7-Q85 PolarHBondContact O-N 3.3Å
8V96.4Very high80.1Confident2 Ų294.5 Ų94.51%0.01245%0.445CS..EExtended strand (participates in β ladder)trans-133.2151.2-178-62.30000111.1R6 T24 G25 V27 V42 L82 S83 F84R6-V8 PolarHBondContact O-N 2.9Å; V8-T24 WeakPolarHBondContact O-CA 3.5Å; V8-T24 WeakPolarHBondContact O-CG2 3.25Å; V8-G25 PolarHBondContact N-O 2.89Å; V8-G25 PolarHBondContact O-N 3.03Å; V8-V27 HydrophobicContact CG1-CB 4.07Å; V8-V27 HydrophobicContact CG1-CG1 3.66Å; V8-V27 HydrophobicContact CG2-CB 3.9Å; V8-V27 HydrophobicContact CG2-CG1 4.38Å; V8-V42 HydrophobicContact CG2-CG1 3.75Å; V8-V42 HydrophobicContact CG2-CG2 4.01Å; V8-L82 HydrophobicContact CG2-CD2 4.24Å; V8-S83 CarbonylContact C-O 3.52Å; V8-S83 WeakPolarHBondContact CA-O 3Å; V8-F84 HydrophobicContact CG1-CB 4.39Å; V8-F84 HydrophobicContact CG1-CD1 3.4Å; V8-F84 VanDerWaalsContact CG1-CD1 3.4Å; V8-F84 HydrophobicContact CG1-CD2 4.15Å; V8-F84 HydrophobicContact CG1-CE1 3.57Å; V8-F84 HydrophobicContact CG1-CE2 4.26Å; V8-F84 HydrophobicContact CG1-CG 3.72Å; V8-F84 HydrophobicContact CG1-CZ 3.99Å
9K96.2Very high80.5Confident79 Ų7995.1 Ų95.134%0.34344%0.443SS..EExtended strand (participates in β ladder)trans-98.1136.9157.9-77.6-169168-147.80109.9Y11 D21 T24 S83K9-Y11 HydrophobicContact CB-CD2 4.36Å; K9-Y11 HydrophobicContact CB-CE2 3.58Å; K9-Y11 HydrophobicContact CD-CE2 4.36Å; K9-Y11 VanDerWaalsContact CD-OH 3.29Å; K9-Y11 WeakPolarHBondContact CD-OH 3.46Å; K9-D21 IonicContact NZ-OD2 3.8Å; K9-D21 PolarHBondContact NZ-OD2 3.35Å; K9-T24 HydrophobicContact CG-CG2 4.24Å; K9-T24 WeakPolarHBondContact CG-OG1 3.37Å; K9-S83 PolarHBondContact N-O 3.46Å; K9-S83 PolarHBondContact O-N 2.86Å
10V95.4Very high81Confident2 Ų294.1 Ų94.11%0.01244%0.441CS..EExtended strand (participates in β ladder)trans-101.1131.1177.7-172.70000108.6R22 G23 V42 L51 L52 L82V10-R22 HydrophobicContact CB-CB 4.09Å; V10-R22 HydrophobicContact CG1-CB 4.17Å; V10-R22 WeakPolarHBondContact O-CB 3.22Å; V10-R22 PolarHBondContact O-N 3.1Å; V10-G23 PolarHBondContact N-O 3.44Å; V10-V42 HydrophobicContact CG2-CB 4Å; V10-V42 HydrophobicContact CG2-CG1 3.69Å; V10-V42 HydrophobicContact CG2-CG2 3.95Å; V10-L51 HydrophobicContact CG2-CB 4.47Å; V10-L52 HydrophobicContact CG1-CB 4.39Å; V10-L52 HydrophobicContact CG1-CD2 4.44Å; V10-L82 HydrophobicContact CB-CD2 4.37Å; V10-L82 HydrophobicContact CG1-CD2 4.31Å; V10-L82 HydrophobicContact CG2-CD2 3.79Å
11Y95.4Very high81.5Confident58 Ų5893.3 Ų93.323%0.22744%0.44CS..EExtended strand (participates in β ladder)trans-121.7146.1174.7-62-90.2000111K9 W19 D20 D21 L80 A81K9-Y11 HydrophobicContact CB-CD2 4.36Å; K9-Y11 HydrophobicContact CB-CE2 3.58Å; K9-Y11 HydrophobicContact CD-CE2 4.36Å; K9-Y11 VanDerWaalsContact CD-OH 3.29Å; K9-Y11 WeakPolarHBondContact CD-OH 3.46Å; Y11-W19 HydrophobicContact CD1-CB 4.21Å; Y11-D20 VanDerWaalsContact CA-O 3.27Å; Y11-D20 WeakPolarHBondContact CA-O 3.47Å; Y11-D21 HydrophobicContact CD1-CB 4.21Å; Y11-D21 HydrophobicContact CE1-CB 3.84Å; Y11-L80 WeakPolarHBondContact O-CA 3.22Å; Y11-A81 PolarHBondContact N-O 3.08Å; Y11-A81 PolarHBondContact O-N 3.19Å
12T91.5Very high84.3Confident30 Ų3088.7 Ų88.718%0.18441%0.409CS..EExtended strand (participates in β ladder)trans-124.1136.1170.845.80000109D20 R22 D79 L80T12-D20 PolarHBondContact N-O 3.21Å; T12-D20 PolarHBondContact O-N 2.88Å; T12-R22 HydrophobicContact CG2-CG 3.7Å; T12-R22 WeakPolarHBondContact OG1-CD 3.44Å; T12-R22 WeakPolarHBondContact OG1-CG 3.42Å; T12-D79 WeakPolarHBondContact CA-O 3.45Å; T12-L80 HydrophobicContact CG2-CD2 3.39Å
13L88Confident86.5Confident43 Ų4383.9 Ų83.923%0.22538%0.384CS..EExtended strand (participates in β ladder)trans-77.3127.1172.7-161.573.4000109.8W19 D79L13-W19 HydrophobicContact CB-CE3 4.21Å; L13-W19 HydrophobicContact CB-CH2 4.43Å; L13-W19 HydrophobicContact CB-CZ3 4.12Å; L13-W19 HydrophobicContact CD1-CD2 3.85Å; L13-W19 HydrophobicContact CD1-CE3 4.28Å; L13-W19 HydrophobicContact CD1-CG 4.12Å; L13-W19 HydrophobicContact CD1-CZ2 4.28Å; L13-D79 HydrophobicContact CB-CB 3.81Å; L13-D79 HydrophobicContact CD2-CB 4.24Å; L13-D79 VanDerWaalsContact CD2-OD2 3.31Å; L13-D79 WeakPolarHBondContact CD2-OD2 3.45Å; L13-D79 PolarHBondContact N-O 3.38Å
14N79.5Confident88Confident38 Ų3881 Ų8120%0.20337%0.37CS..  trans-89.9177.6179.969.620.3000112.5D16 R17 Q18 D20N14-D16 PolarHBondContact O-N 3.12Å; N14-D16 WeakPolarHBondContact OD1-CA 3.41Å; N14-D16 PolarHBondContact OD1-N 3.13Å; N14-D16 VanDerWaalsContact OD1-N 3.08Å; N14-R17 WeakPolarHBondContact O-CA 3.04Å; N14-R17 PolarHBondContact O-N 3Å; N14-R17 PolarHBondContact OD1-N 3.17Å; N14-Q18 VanDerWaalsContact CG-O 3.23Å; N14-Q18 PolarHBondContact N-O 3.48Å; N14-Q18 PolarHBondContact OD1-N 2.88Å; N14-Q18 PolarHBondContact OD1-O 3.38Å; N14-D20 WeakPolarHBondContact CB-OD2 3.34Å; N14-D20 PolarHBondContact ND2-OD1 3.32Å; N14-D20 PolarHBondContact ND2-OD2 3.01Å
15E77.4Confident88.9Confident200 Ų20078.2 Ų78.294%0.93535%0.353SS*.THydrogen-bonded Turntrans-60.5-28.1-179.2-66.2-177.1174.400113R17E15-R17 PolarHBondContact O-N 3.03Å
16D78.2Confident89.4Confident130 Ų13075.3 Ų75.370%0.69534%0.344SS*.THydrogen-bonded Turntrans-82.98.1176.3-61-42.4000112.8N14 Q18N14-D16 PolarHBondContact O-N 3.12Å; N14-D16 WeakPolarHBondContact OD1-CA 3.41Å; N14-D16 PolarHBondContact OD1-N 3.13Å; N14-D16 VanDerWaalsContact OD1-N 3.08Å; D16-Q18 VanDerWaalsContact C-N 3.25Å; D16-Q18 PolarHBondContact O-N 3.26Å
17R78.1Confident89.7Confident200 Ų20070.7 Ų70.776%0.75533%0.326SS*.SBendtrans57.632.5-175-60.7-172.1170.8-163.7-2.7114N14 E15N14-R17 WeakPolarHBondContact O-CA 3.04Å; N14-R17 PolarHBondContact O-N 3Å; N14-R17 PolarHBondContact OD1-N 3.17Å; E15-R17 PolarHBondContact O-N 3.03Å
18Q82Confident89.7Confident121 Ų12168.6 Ų68.657%0.56532%0.324SS*.  trans-105.4146.2171.9-60.9-177-1.100111.1N14 D16 D20N14-Q18 VanDerWaalsContact CG-O 3.23Å; N14-Q18 PolarHBondContact N-O 3.48Å; N14-Q18 PolarHBondContact OD1-N 2.88Å; N14-Q18 PolarHBondContact OD1-O 3.38Å; D16-Q18 VanDerWaalsContact C-N 3.25Å; D16-Q18 PolarHBondContact O-N 3.26Å; Q18-D20 PolarHBondContact O-N 2.92Å
19W88Confident89.5Confident106 Ų10670.6 Ų70.640%0.40234%0.338SS..EExtended strand (participates in β ladder)trans-80.9107.1178.4-72.3106000111.2Y11 L13 V71 D79 A81Y11-W19 HydrophobicContact CD1-CB 4.21Å; L13-W19 HydrophobicContact CB-CE3 4.21Å; L13-W19 HydrophobicContact CB-CH2 4.43Å; L13-W19 HydrophobicContact CB-CZ3 4.12Å; L13-W19 HydrophobicContact CD1-CD2 3.85Å; L13-W19 HydrophobicContact CD1-CE3 4.28Å; L13-W19 HydrophobicContact CD1-CG 4.12Å; L13-W19 HydrophobicContact CD1-CZ2 4.28Å; W19-V71 HydrophobicContact CH2-CG1 3.84Å; W19-V71 HydrophobicContact CZ2-CG1 4.24Å; W19-D79 HydrophobicContact CH2-CB 3.99Å; W19-D79 HydrophobicContact CZ3-CB 4.38Å; W19-A81 HydrophobicContact CE3-CB 4.31Å; W19-A81 HydrophobicContact CH2-CB 3.93Å; W19-A81 HydrophobicContact CZ3-CB 3.77Å
20D90.1Very high89.2Confident75 Ų7568 Ų6840%0.40133%0.333SS..EExtended strand (participates in β ladder)trans-82.3125.7175.2-75.7-12.4000111.2Y11 T12 N14 Q18 R22Y11-D20 VanDerWaalsContact CA-O 3.27Å; Y11-D20 WeakPolarHBondContact CA-O 3.47Å; T12-D20 PolarHBondContact N-O 3.21Å; T12-D20 PolarHBondContact O-N 2.88Å; N14-D20 WeakPolarHBondContact CB-OD2 3.34Å; N14-D20 PolarHBondContact ND2-OD1 3.32Å; N14-D20 PolarHBondContact ND2-OD2 3.01Å; Q18-D20 PolarHBondContact O-N 2.92Å; D20-R22 PolarHBondContact O-N 3.26Å
21D92.1Very high89.1Confident77 Ų7774.4 Ų74.441%0.41236%0.358SS..EExtended strand (participates in β ladder)trans-71.4110.9172.9-171.1-19.6000109.9K9 Y11 G23K9-D21 IonicContact NZ-OD2 3.8Å; K9-D21 PolarHBondContact NZ-OD2 3.35Å; Y11-D21 HydrophobicContact CD1-CB 4.21Å; Y11-D21 HydrophobicContact CE1-CB 3.84Å; D21-G23 VanDerWaalsContact C-N 3.34Å; D21-G23 WeakPolarHBondContact OD1-CA 3.47Å; D21-G23 PolarHBondContact OD1-N 2.87Å
22R90Very high88.9Confident138 Ų13872.6 Ų72.652%0.52135%0.354SS..EExtended strand (participates in β ladder)trans-85.6-7.1178.7-67.6-79.9-65.9147.25.9112.9V10 T12 D20V10-R22 HydrophobicContact CB-CB 4.09Å; V10-R22 HydrophobicContact CG1-CB 4.17Å; V10-R22 WeakPolarHBondContact O-CB 3.22Å; V10-R22 PolarHBondContact O-N 3.1Å; T12-R22 HydrophobicContact CG2-CG 3.7Å; T12-R22 WeakPolarHBondContact OG1-CD 3.44Å; T12-R22 WeakPolarHBondContact OG1-CG 3.42Å; D20-R22 PolarHBondContact O-N 3.26Å
23G92.4Very high88.6Confident21 Ų2177.9 Ų77.922%0.21638%0.376CS..EExtended strand (participates in β ladder)trans123.1167.9178.300000114V10 D21V10-G23 PolarHBondContact N-O 3.44Å; D21-G23 VanDerWaalsContact C-N 3.34Å; D21-G23 WeakPolarHBondContact OD1-CA 3.47Å; D21-G23 PolarHBondContact OD1-N 2.87Å
24T94.7Very high88.6Confident35 Ų3584.4 Ų84.422%0.21540%0.398CS..EExtended strand (participates in β ladder)trans-102.5136177.5-49.20000110.7R7 V8 K9 E45R7-T24 HydrophobicContact CG-CG2 4.06Å; V8-T24 WeakPolarHBondContact O-CA 3.5Å; V8-T24 WeakPolarHBondContact O-CG2 3.25Å; K9-T24 HydrophobicContact CG-CG2 4.24Å; K9-T24 WeakPolarHBondContact CG-OG1 3.37Å; T24-E45 PolarHBondContact O-N 3.41Å
25G94.7Very high88.9Confident0 Ų085.3 Ų85.30%040%0.402CS..EExtended strand (participates in β ladder)trans-158.7-176.1-176.300000113.7R7 V8 R43R7-G25 CarbonylContact C-O 3.58Å; R7-G25 WeakPolarHBondContact CA-O 3.27Å; V8-G25 PolarHBondContact N-O 2.89Å; V8-G25 PolarHBondContact O-N 3.03Å; G25-R43 CarbonylContact C-O 3.53Å; G25-R43 WeakPolarHBondContact CA-O 3.37Å
26H94.8Very high89.5Confident48 Ų4883.2 Ų83.222%0.22239%0.39CS..EExtended strand (participates in β ladder)trans-105124.1175.5-64.675.1000110D3 R6 V42 R43 E45D3-H26 VanDerWaalsContact CG-CD2 3.41Å; D3-H26 PolarHBondContact O-CD2 2.71Å; D3-H26 VanDerWaalsContact O-CD2 3.27Å; D3-H26 PolarHBondContact O-NE2 2.79Å; D3-H26 IonicContact OD1-CD2 2.7Å; D3-H26 PolarHBondContact OD1-CD2 3.44Å; D3-H26 IonicContact OD2-CD2 3.48Å; D3-H26 IonicContact OD2-NE2 2.69Å; R6-H26 CarbonylContact O-C 3.57Å; R6-H26 VanDerWaalsContact O-CA 3.3Å; R6-H26 WeakPolarHBondContact O-CA 3.46Å; H26-V42 WeakPolarHBondContact O-CA 3.45Å; H26-R43 PolarHBondContact N-O 3.28Å; H26-R43 PolarHBondContact O-N 3.45Å; H26-E45 IonicContact CE1-OE1 2.77Å; H26-E45 PolarHBondContact CE1-OE1 3.45Å; H26-E45 IonicContact ND1-OE1 3.91Å; H26-E45 IonicContact NE2-OE1 3.36Å
27V95.7Very high90Very high2 Ų277.4 Ų77.41%0.01236%0.361CS..EExtended strand (participates in β ladder)trans-84.4142.9177.467.60000111.4R6 V8 L41 V42 L82 F84 I93R6-V27 PolarHBondContact O-N 3Å; V8-V27 HydrophobicContact CG1-CB 4.07Å; V8-V27 HydrophobicContact CG1-CG1 3.66Å; V8-V27 HydrophobicContact CG2-CB 3.9Å; V8-V27 HydrophobicContact CG2-CG1 4.38Å; V27-L41 CarbonylContact C-O 3.57Å; V27-L41 WeakPolarHBondContact CA-O 3.45Å; V27-V42 HydrophobicContact CB-CG2 4.06Å; V27-V42 HydrophobicContact CG2-CG2 4Å; V27-L82 HydrophobicContact CG2-CD1 4.21Å; V27-F84 HydrophobicContact CG1-CD1 4.44Å; V27-F84 HydrophobicContact CG1-CE1 3.63Å; V27-F84 HydrophobicContact CG1-CZ 4.22Å; V27-I93 HydrophobicContact CG1-CD1 4.12Å; V27-I93 HydrophobicContact CG1-CG1 3.8Å; V27-I93 HydrophobicContact CG2-CD1 4.07Å; V27-I93 HydrophobicContact CG2-CG1 4.23Å
28S93.1Very high90.7Very high36 Ų3670 Ų7025%0.25234%0.335SS..EExtended strand (participates in β ladder)trans-144.8148.1172.457.60000110.1L41S28-L41 PolarHBondContact N-O 2.99Å; S28-L41 PolarHBondContact O-N 3.12Å; S28-L41 PolarHBondContact OG-O 3.36Å
29S92.3Very high91.4Very high44 Ų4464.2 Ų64.231%0.30831%0.308SS..EExtended strand (participates in β ladder)trans-102.7127.4170.464.70000109.9S39S29-S39 WeakPolarHBondContact CA-O 3.3Å
30G90.9Very high91.7Very high23 Ų2359.1 Ų59.124%0.23729%0.289CS..EExtended strand (participates in β ladder)trans-150.4154.217900000112.6V32 S39G30-V32 PolarHBondContact O-N 2.93Å; G30-S39 PolarHBondContact N-O 3.48Å; G30-S39 PolarHBondContact O-N 3.21Å
31Y92.3Very high91.9Very high137 Ų13756.6 Ų56.654%0.53728%0.276SS..EExtended strand (participates in β ladder)trans-75.8119.3173.5-171.9-89.2000109.5E33 G37Y31-E33 WeakPolarHBondContact CE1-OE2 3.44Å; Y31-G37 WeakPolarHBondContact CA-O 3.38Å
32V91.3Very high92.2Very high21 Ų2153 Ų5313%0.12726%0.256CS..EExtended strand (participates in β ladder)trans-104.9111.8-179.3-179.50000109G30 R34 L35 K36 G37 L41G30-V32 PolarHBondContact O-N 2.93Å; V32-R34 VanDerWaalsContact C-N 3.28Å; V32-R34 HydrophobicContact CG1-CG 3.73Å; V32-R34 PolarHBondContact O-N 3.46Å; V32-L35 HydrophobicContact CB-CB 4.41Å; V32-L35 HydrophobicContact CG1-CB 4.42Å; V32-L35 HydrophobicContact CG1-CD1 4.49Å; V32-L35 HydrophobicContact CG1-CG 4.25Å; V32-L35 PolarHBondContact O-N 2.85Å; V32-L35 VanDerWaalsContact O-N 3.07Å; V32-K36 PolarHBondContact O-N 3.04Å; V32-G37 PolarHBondContact N-O 3.22Å; V32-L41 HydrophobicContact CG2-CD1 4.09Å; V32-L41 HydrophobicContact CG2-CD2 4.15Å; V32-L41 HydrophobicContact CG2-CG 4.41Å
33E85.7Confident92.4Very high141 Ų14152.6 Ų52.666%0.65926%0.255SS*.G310 helixtrans-57.1-38.4-174.9-167.461.1-141.600113Y31 L35 K36Y31-E33 WeakPolarHBondContact CE1-OE2 3.44Å; E33-L35 VanDerWaalsContact C-N 3.3Å; E33-L35 PolarHBondContact O-N 3.17Å; E33-K36 WeakPolarHBondContact O-CG 3.23Å; E33-K36 PolarHBondContact O-N 3.38Å
34R86.7Confident92.5Very high180 Ų18051.9 Ų51.968%0.67925%0.247SC*.G310 helixtrans-64.8-32.4179.481.1-169.8170.9128.8-21.4113.3V32 E53V32-R34 VanDerWaalsContact C-N 3.28Å; V32-R34 HydrophobicContact CG1-CG 3.73Å; V32-R34 PolarHBondContact O-N 3.46Å; R34-E53 VanDerWaalsContact CZ-CD 3.44Å; R34-E53 IonicContact CZ-OE1 2.78Å; R34-E53 IonicContact CZ-OE2 2.73Å; R34-E53 IonicContact NE-OE1 2.63Å; R34-E53 PolarHBondContact NE-OE1 3.43Å; R34-E53 IonicContact NE-OE2 3.06Å; R34-E53 PolarHBondContact NE-OE2 3.21Å; R34-E53 IonicContact NH1-OE1 2.83Å; R34-E53 IonicContact NH2-OE1 3.36Å; R34-E53 PolarHBondContact NH2-OE1 3.07Å; R34-E53 IonicContact NH2-OE2 3.88Å; R34-E53 PolarHBondContact NH2-OE2 2.92Å
35L87.6Confident92.2Very high57 Ų5754.4 Ų54.430%0.29826%0.256SS..G310 helixtrans-93.5-8.9179.1-64.7-176.7000112.6V32 E33 G37 S39 E53 K55V32-L35 HydrophobicContact CB-CB 4.41Å; V32-L35 HydrophobicContact CG1-CB 4.42Å; V32-L35 HydrophobicContact CG1-CD1 4.49Å; V32-L35 HydrophobicContact CG1-CG 4.25Å; V32-L35 PolarHBondContact O-N 2.85Å; V32-L35 VanDerWaalsContact O-N 3.07Å; E33-L35 VanDerWaalsContact C-N 3.3Å; E33-L35 PolarHBondContact O-N 3.17Å; L35-G37 VanDerWaalsContact C-N 3.34Å; L35-G37 PolarHBondContact O-N 3.5Å; L35-S39 WeakPolarHBondContact CD1-OG 3.21Å; L35-E53 HydrophobicContact CD1-CG 3.87Å; L35-E53 WeakPolarHBondContact CD1-OE1 3.42Å; L35-K55 HydrophobicContact CB-CD 4.36Å; L35-K55 HydrophobicContact CD1-CB 4.17Å; L35-K55 PolarHBondContact O-NZ 2.95Å
36K88.4Confident91.8Very high155 Ų15559.7 Ų59.767%0.67429%0.294SS*.THydrogen-bonded Turntrans47.554.7-175.7-60.7-177.2178.81800111.7V32 E33 K55V32-K36 PolarHBondContact O-N 3.04Å; E33-K36 WeakPolarHBondContact O-CG 3.23Å; E33-K36 PolarHBondContact O-N 3.38Å; K36-K55 PolarHBondContact O-NZ 3.21Å; K36-K55 VanDerWaalsContact O-NZ 3.12Å
37G89.4Confident91.4Very high9 Ų962.9 Ų62.99%0.09331%0.312CS..EExtended strand (participates in β ladder)trans-174.8167.8-177.700000113.6Y31 V32 L35Y31-G37 WeakPolarHBondContact CA-O 3.38Å; V32-G37 PolarHBondContact N-O 3.22Å; L35-G37 VanDerWaalsContact C-N 3.34Å; L35-G37 PolarHBondContact O-N 3.5Å
38M94Very high91Very high43 Ų4364.5 Ų64.521%0.21233%0.329CS..EExtended strand (participates in β ladder)trans-71.1132.1168.1-167.863.658.600109I56 V100M38-I56 HydrophobicContact CG-CD1 4.09Å; M38-I56 PolarHBondContact O-N 3.35Å; M38-V100 HydrophobicContact CB-CG1 4.33Å; M38-V100 HydrophobicContact CB-CG2 3.75Å; M38-V100 HydrophobicContact CG-CG2 3.71Å
39S95Very high91Very high0 Ų065 Ų650%033%0.333CS..EExtended strand (participates in β ladder)trans-133.1149.3-175.1-64.70000111.6S29 G30 L35 S54S29-S39 WeakPolarHBondContact CA-O 3.3Å; G30-S39 PolarHBondContact N-O 3.48Å; G30-S39 PolarHBondContact O-N 3.21Å; L35-S39 WeakPolarHBondContact CD1-OG 3.21Å; S39-S54 CarbonylContact C-O 3.51Å; S39-S54 WeakPolarHBondContact CA-O 3.29Å; S39-S54 WeakPolarHBondContact CB-O 3.38Å
40L95.4Very high91Very high0 Ų066.5 Ų66.50%034%0.337CS..EExtended strand (participates in β ladder)trans-85.3128.1167.6-58.7178.2000108.9E53 S54 I56 Y62 W72 L82 I93 I97L40-E53 WeakPolarHBondContact O-CA 3.45Å; L40-S54 PolarHBondContact N-O 2.88Å; L40-S54 PolarHBondContact O-N 2.97Å; L40-I56 HydrophobicContact CD2-CD1 3.9Å; L40-I56 HydrophobicContact CD2-CG1 4.33Å; L40-I56 HydrophobicContact CG-CD1 4.09Å; L40-I56 HydrophobicContact CG-CG1 3.95Å; L40-Y62 HydrophobicContact CD1-CE1 4.47Å; L40-W72 HydrophobicContact CD1-CH2 4.13Å; L40-W72 HydrophobicContact CD1-CZ2 4.43Å; L40-L82 HydrophobicContact CD1-CD1 4.32Å; L40-I93 HydrophobicContact CD2-CG2 3.71Å; L40-I97 HydrophobicContact CD1-CD1 4.07Å; L40-I97 HydrophobicContact CD1-CG1 4.43Å; L40-I97 HydrophobicContact CD2-CG1 4.45Å
41L94.8Very high91.1Very high22 Ų2266.9 Ų66.912%0.11533%0.333CS..EExtended strand (participates in β ladder)trans-125.5119.2-177.9-63.5165.9000108.7V27 S28 V32 L50 L52 E53V27-L41 CarbonylContact C-O 3.57Å; V27-L41 WeakPolarHBondContact CA-O 3.45Å; S28-L41 PolarHBondContact N-O 2.99Å; S28-L41 PolarHBondContact O-N 3.12Å; S28-L41 PolarHBondContact OG-O 3.36Å; V32-L41 HydrophobicContact CG2-CD1 4.09Å; V32-L41 HydrophobicContact CG2-CD2 4.15Å; V32-L41 HydrophobicContact CG2-CG 4.41Å; L41-L50 HydrophobicContact CD2-CD1 4.01Å; L41-L52 WeakPolarHBondContact CA-O 3.35Å; L41-E53 HydrophobicContact CD2-CB 3.91Å; L41-E53 HydrophobicContact CD2-CG 3.56Å
42V96.4Very high91.1Very high0 Ų061.2 Ų61.20%031%0.312CS..EExtended strand (participates in β ladder)trans-109.7125.3172.6-1750000109.5V8 V10 H26 V27 L51 L52 L82V8-V42 HydrophobicContact CG2-CG1 3.75Å; V8-V42 HydrophobicContact CG2-CG2 4.01Å; V10-V42 HydrophobicContact CG2-CB 4Å; V10-V42 HydrophobicContact CG2-CG1 3.69Å; V10-V42 HydrophobicContact CG2-CG2 3.95Å; H26-V42 WeakPolarHBondContact O-CA 3.45Å; V27-V42 HydrophobicContact CB-CG2 4.06Å; V27-V42 HydrophobicContact CG2-CG2 4Å; V42-L51 HydrophobicContact CB-CB 4.33Å; V42-L51 HydrophobicContact CG1-CB 4.24Å; V42-L51 HydrophobicContact CG1-CD1 4.27Å; V42-L51 PolarHBondContact O-N 2.83Å; V42-L52 HydrophobicContact CB-CB 3.95Å; V42-L52 HydrophobicContact CG2-CB 3.95Å; V42-L52 HydrophobicContact CG2-CD2 4.13Å; V42-L52 PolarHBondContact N-O 3.13Å; V42-L52 PolarHBondContact O-N 3.36Å; V42-L82 HydrophobicContact CG2-CD2 3.88Å
43R95Very high91.2Very high130 Ų13062.5 Ų62.549%0.49132%0.317SS..EExtended strand (participates in β ladder)trans-109.1128176.7-66.3-179.3-179-83.7-2.4111.1G25 H26 S49 L50G25-R43 CarbonylContact C-O 3.53Å; G25-R43 WeakPolarHBondContact CA-O 3.37Å; H26-R43 PolarHBondContact N-O 3.28Å; H26-R43 PolarHBondContact O-N 3.45Å; R43-S49 CarbonylContact C-O 3.58Å; R43-S49 VanDerWaalsContact CA-O 3.25Å; R43-S49 WeakPolarHBondContact CA-O 3.23Å; R43-L50 HydrophobicContact CG-CD1 4.3Å
44A93.7Very high91.6Very high7 Ų755.9 Ų55.96%0.05829%0.286CS..EExtended strand (participates in β ladder)trans-59142.1-179.500000112S46 D47 G48 S49 L51A44-S46 VanDerWaalsContact C-N 3.29Å; A44-S46 PolarHBondContact O-N 3.34Å; A44-D47 WeakPolarHBondContact CB-OD1 3.41Å; A44-G48 VanDerWaalsContact O-CA 3.28Å; A44-G48 WeakPolarHBondContact O-CA 3.48Å; A44-G48 PolarHBondContact O-N 2.91Å; A44-S49 PolarHBondContact N-O 3.49Å; A44-L51 HydrophobicContact CB-CD1 3.89Å; A44-L51 HydrophobicContact CB-CD2 3.89Å; A44-L51 HydrophobicContact CB-CG 3.76Å
45E89.2Confident91.9Very high87 Ų8750.2 Ų50.241%0.40727%0.266SS..THydrogen-bonded Turntrans-69.2-28.7175.7-59.4-167.2120.800113R7 T24 H26R7-E45 WeakPolarHBondContact CD-OE1 3.31Å; R7-E45 IonicContact CZ-OE1 3.7Å; R7-E45 IonicContact CZ-OE2 3.5Å; R7-E45 IonicContact NE-OE1 2.83Å; R7-E45 PolarHBondContact NE-OE1 3.33Å; R7-E45 IonicContact NE-OE2 3.56Å; R7-E45 PolarHBondContact NE-OE2 3.27Å; R7-E45 IonicContact NH2-OE1 3.55Å; R7-E45 IonicContact NH2-OE2 2.74Å; R7-E45 PolarHBondContact NH2-OE2 3.01Å; T24-E45 PolarHBondContact O-N 3.41Å; H26-E45 IonicContact CE1-OE1 2.77Å; H26-E45 PolarHBondContact CE1-OE1 3.45Å; H26-E45 IonicContact ND1-OE1 3.91Å; H26-E45 IonicContact NE2-OE1 3.36Å
46S85.8Confident92.1Very high112 Ų11247.7 Ų47.778%0.78325%0.253SS*.THydrogen-bonded Turntrans-71.9-43.7-172.845.90000113.5A44A44-S46 VanDerWaalsContact C-N 3.29Å; A44-S46 PolarHBondContact O-N 3.34Å
47D87.7Confident92.2Very high114 Ų11442.8 Ų42.861%0.6123%0.234SC*.THydrogen-bonded Turntrans-140.5-0.8-170.666.5-7.3000114A44 S49A44-D47 WeakPolarHBondContact CB-OD1 3.41Å; D47-S49 PolarHBondContact O-N 3.38Å; D47-S49 WeakPolarHBondContact OD1-CB 3.38Å; D47-S49 PolarHBondContact OD1-N 3.26Å; D47-S49 PolarHBondContact OD1-OG 3.39Å; D47-S49 WeakPolarHBondContact OD2-CB 3.39Å; D47-S49 PolarHBondContact OD2-OG 3.07Å
48G87.1Confident92.1Very high36 Ų3646 Ų4637%0.37125%0.254SS..  trans71.49.1-176.500000114.7A44A44-G48 VanDerWaalsContact O-CA 3.28Å; A44-G48 WeakPolarHBondContact O-CA 3.48Å; A44-G48 PolarHBondContact O-N 2.91Å
49S93Very high91.7Very high48 Ų4850.6 Ų50.634%0.33628%0.279SS..  trans-62.8157.2174.665.40000111.3R43 A44 D47 L51R43-S49 CarbonylContact C-O 3.58Å; R43-S49 VanDerWaalsContact CA-O 3.25Å; R43-S49 WeakPolarHBondContact CA-O 3.23Å; A44-S49 PolarHBondContact N-O 3.49Å; D47-S49 PolarHBondContact O-N 3.38Å; D47-S49 WeakPolarHBondContact OD1-CB 3.38Å; D47-S49 PolarHBondContact OD1-N 3.26Å; D47-S49 PolarHBondContact OD1-OG 3.39Å; D47-S49 WeakPolarHBondContact OD2-CB 3.39Å; D47-S49 PolarHBondContact OD2-OG 3.07Å; S49-L51 PolarHBondContact O-N 3.49Å
50L92.3Very high91.4Very high74 Ų7451.7 Ų51.739%0.38729%0.286SS..EExtended strand (participates in β ladder)trans-84.4111.6-178.2-157.978.2000109.4L41 R43 E53L41-L50 HydrophobicContact CD2-CD1 4.01Å; R43-L50 HydrophobicContact CG-CD1 4.3Å; L50-E53 HydrophobicContact CD2-CB 3.63Å; L50-E53 HydrophobicContact CG-CB 4.42Å
51L92.3Very high91.2Very high31 Ų3153.8 Ų53.816%0.16230%0.303CS..EExtended strand (participates in β ladder)trans-82.2-36.2176.3-64.5-178.8000111.8V10 V42 A44 S49V10-L51 HydrophobicContact CG2-CB 4.47Å; V42-L51 HydrophobicContact CB-CB 4.33Å; V42-L51 HydrophobicContact CG1-CB 4.24Å; V42-L51 HydrophobicContact CG1-CD1 4.27Å; V42-L51 PolarHBondContact O-N 2.83Å; A44-L51 HydrophobicContact CB-CD1 3.89Å; A44-L51 HydrophobicContact CB-CD2 3.89Å; A44-L51 HydrophobicContact CB-CG 3.76Å; S49-L51 PolarHBondContact O-N 3.49Å
52L93.5Very high91.2Very high18 Ų1852.7 Ų52.79%0.09430%0.297CS..EExtended strand (participates in β ladder)trans-143.3134.5-179.5-179.667.4000110.3V10 L41 V42 W72 L80 L82V10-L52 HydrophobicContact CG1-CB 4.39Å; V10-L52 HydrophobicContact CG1-CD2 4.44Å; L41-L52 WeakPolarHBondContact CA-O 3.35Å; V42-L52 HydrophobicContact CB-CB 3.95Å; V42-L52 HydrophobicContact CG2-CB 3.95Å; V42-L52 HydrophobicContact CG2-CD2 4.13Å; V42-L52 PolarHBondContact N-O 3.13Å; V42-L52 PolarHBondContact O-N 3.36Å; L52-W72 HydrophobicContact CD2-CH2 3.74Å; L52-W72 HydrophobicContact CD2-CZ2 3.97Å; L52-L80 HydrophobicContact CD1-CD1 3.88Å; L52-L80 HydrophobicContact CD1-CD2 4.37Å; L52-L82 HydrophobicContact CD2-CD2 3.99Å
53E93.3Very high91Very high49 Ų4956.6 Ų56.623%0.22932%0.315CS..EExtended strand (participates in β ladder)trans-133.5110.2160-179.7179.5113.300109R34 L35 L40 L41 L50R34-E53 VanDerWaalsContact CZ-CD 3.44Å; R34-E53 IonicContact CZ-OE1 2.78Å; R34-E53 IonicContact CZ-OE2 2.73Å; R34-E53 IonicContact NE-OE1 2.63Å; R34-E53 PolarHBondContact NE-OE1 3.43Å; R34-E53 IonicContact NE-OE2 3.06Å; R34-E53 PolarHBondContact NE-OE2 3.21Å; R34-E53 IonicContact NH1-OE1 2.83Å; R34-E53 IonicContact NH2-OE1 3.36Å; R34-E53 PolarHBondContact NH2-OE1 3.07Å; R34-E53 IonicContact NH2-OE2 3.88Å; R34-E53 PolarHBondContact NH2-OE2 2.92Å; L35-E53 HydrophobicContact CD1-CG 3.87Å; L35-E53 WeakPolarHBondContact CD1-OE1 3.42Å; L40-E53 WeakPolarHBondContact O-CA 3.45Å; L41-E53 HydrophobicContact CD2-CB 3.91Å; L41-E53 HydrophobicContact CD2-CG 3.56Å; L50-E53 HydrophobicContact CD2-CB 3.63Å; L50-E53 HydrophobicContact CG-CB 4.42Å
54S93Very high91Very high1 Ų151.5 Ų51.51%0.00730%0.297CS..EExtended strand (participates in β ladder)trans-126.6132.5-176.9163.50000109.7S39 L40 E74S39-S54 CarbonylContact C-O 3.51Å; S39-S54 WeakPolarHBondContact CA-O 3.29Å; S39-S54 WeakPolarHBondContact CB-O 3.38Å; L40-S54 PolarHBondContact N-O 2.88Å; L40-S54 PolarHBondContact O-N 2.97Å; S54-E74 WeakPolarHBondContact CB-OE2 3.46Å; S54-E74 PolarHBondContact OG-OE1 3.35Å; S54-E74 PolarHBondContact OG-OE2 3.24Å
55K92.7Very high90.8Very high61 Ų6154.8 Ų54.827%0.26531%0.311SS..EExtended strand (participates in β ladder)trans-83.6129.2175.2-179.2178.7174.8164.50109L35 K36 N57L35-K55 HydrophobicContact CB-CD 4.36Å; L35-K55 HydrophobicContact CD1-CB 4.17Å; L35-K55 PolarHBondContact O-NZ 2.95Å; K36-K55 PolarHBondContact O-NZ 3.21Å; K36-K55 VanDerWaalsContact O-NZ 3.12Å; K55-N57 PolarHBondContact O-N 3.41Å; K55-N57 PolarHBondContact O-ND2 2.87Å
56I93.3Very high90.7Very high4 Ų459.1 Ų59.12%0.02133%0.331CS..  trans-72101.9172.2-53.8170.1000107.7M38 L40 Y62 I97 V100 Q101M38-I56 HydrophobicContact CG-CD1 4.09Å; M38-I56 PolarHBondContact O-N 3.35Å; L40-I56 HydrophobicContact CD2-CD1 3.9Å; L40-I56 HydrophobicContact CD2-CG1 4.33Å; L40-I56 HydrophobicContact CG-CD1 4.09Å; L40-I56 HydrophobicContact CG-CG1 3.95Å; I56-Y62 HydrophobicContact CG2-CE2 4.13Å; I56-I97 HydrophobicContact CD1-CG1 3.99Å; I56-I97 HydrophobicContact CG1-CG1 4.44Å; I56-I97 HydrophobicContact CG2-CG2 4.17Å; I56-V100 HydrophobicContact CB-CB 4.48Å; I56-V100 HydrophobicContact CB-CG1 4.02Å; I56-V100 HydrophobicContact CD1-CG2 4.3Å; I56-V100 HydrophobicContact CG2-CB 3.96Å; I56-V100 HydrophobicContact CG2-CG1 3.75Å; I56-Q101 HydrophobicContact CG2-CG 4.33Å
57N89.7Confident90.7Very high53 Ų5357.2 Ų57.228%0.28331%0.312SS..  trans-88.4143.2178.1-65.4-49.2000110.1K55 N59 T60 Q101K55-N57 PolarHBondContact O-N 3.41Å; K55-N57 PolarHBondContact O-ND2 2.87Å; N57-N59 PolarHBondContact O-N 3.07Å; N57-T60 WeakPolarHBondContact CB-OG1 3.01Å; N57-T60 PolarHBondContact O-N 3.46Å; N57-Q101 PolarHBondContact O-NE2 2.88Å
58P86.3Confident90.9Very high77 Ų7753.9 Ų53.950%0.530%0.296SS..THydrogen-bonded Turntrans-64.9-21.3-178.124.6-33.1000114.4Q111P58-Q111 PolarHBondContact O-NE2 3.26Å
59N85.9Confident91.3Very high139 Ų13954 Ų5474%0.74329%0.288SS*.THydrogen-bonded Turntrans-1084.2-174.9-56.7-4.8000113.2N57N57-N59 PolarHBondContact O-N 3.07Å
60T89.4Confident91.4Very high23 Ų2351.7 Ų51.714%0.14127%0.272CS..  trans-85.1128.8178.3-67.10000109.5N57 Y62 W72 Q101 Q111N57-T60 WeakPolarHBondContact CB-OG1 3.01Å; N57-T60 PolarHBondContact O-N 3.46Å; T60-Y62 HydrophobicContact CG2-CD2 4.09Å; T60-Y62 HydrophobicContact CG2-CE2 3.62Å; T60-Y62 WeakPolarHBondContact O-CD2 3.43Å; T60-Y62 PolarHBondContact O-N 2.8Å; T60-W72 HydrophobicContact CG2-CB 4.07Å; T60-W72 HydrophobicContact CG2-CG 4.31Å; T60-Q101 PolarHBondContact O-NE2 3.32Å; T60-Q111 VanDerWaalsContact O-CG 3.27Å; T60-Q111 WeakPolarHBondContact O-CG 3.48Å
61A90.9Very high91.5Very high43 Ų4349.2 Ų49.236%0.35526%0.26SS..  trans-74.6110.3173.600000109.8W72 Q111A61-W72 WeakPolarHBondContact O-CB 3.43Å; A61-Q111 HydrophobicContact CB-CB 3.88Å; A61-Q111 HydrophobicContact CB-CG 4.32Å
62Y94.1Very high91.6Very high0 Ų048 Ų480%025%0.253CS..EExtended strand (participates in β ladder)trans-98.2138.2167-65.5-95000108.2L40 I56 T60 I70 W72 W94 I97 I109 T110L40-Y62 HydrophobicContact CD1-CE1 4.47Å; I56-Y62 HydrophobicContact CG2-CE2 4.13Å; T60-Y62 HydrophobicContact CG2-CD2 4.09Å; T60-Y62 HydrophobicContact CG2-CE2 3.62Å; T60-Y62 WeakPolarHBondContact O-CD2 3.43Å; T60-Y62 PolarHBondContact O-N 2.8Å; Y62-I70 HydrophobicContact CD1-CG2 4.23Å; Y62-W72 HydrophobicContact CD1-CB 3.51Å; Y62-W72 AromaticContact CD1-CD2 3.7Å; Y62-W72 HydrophobicContact CD1-CD2 3.7Å; Y62-W72 AromaticContact CD1-CE3 3.82Å; Y62-W72 HydrophobicContact CD1-CE3 3.82Å; Y62-W72 AromaticContact CD1-CG 3.58Å; Y62-W72 HydrophobicContact CD1-CG 3.58Å; Y62-W72 HydrophobicContact CE1-CB 3.75Å; Y62-W72 AromaticContact CE1-CD1 3.7Å; Y62-W72 AromaticContact CE1-CD2 3.36Å; Y62-W72 HydrophobicContact CE1-CD2 3.36Å; Y62-W72 AromaticContact CE1-CE2 3.79Å; Y62-W72 AromaticContact CE1-CE3 3.83Å; Y62-W72 HydrophobicContact CE1-CE3 3.83Å; Y62-W72 AromaticContact CE1-CG 3.31Å; Y62-W72 HydrophobicContact CE1-CG 3.31Å; Y62-W72 AromaticContact CE1-NE1 3.95Å; Y62-W72 HydrophobicContact CG-CB 4.05Å; Y62-W72 HydrophobicContact CG-CG 4.5Å; Y62-W94 WeakPolarHBondContact O-CH2 3.25Å; Y62-I97 HydrophobicContact CD1-CD1 3.99Å; Y62-I97 HydrophobicContact CD1-CG2 4.24Å; Y62-I97 HydrophobicContact CD2-CG2 3.55Å; Y62-I97 HydrophobicContact CE1-CD1 4.38Å; Y62-I97 HydrophobicContact CE2-CG2 4.05Å; Y62-I97 HydrophobicContact CG-CD1 4.4Å; Y62-I97 HydrophobicContact CG-CG2 3.68Å; Y62-I109 WeakPolarHBondContact O-CA 3.44Å; Y62-I109 WeakPolarHBondContact O-CG1 3.39Å; Y62-T110 PolarHBondContact N-OG1 2.91Å; Y62-T110 VanDerWaalsContact N-OG1 3.14Å; Y62-T110 PolarHBondContact O-N 3.35Å
63Q93.7Very high91.3Very high81 Ų8150 Ų5038%0.37927%0.268SS..EExtended strand (participates in β ladder)trans-123.2132.9177.4-167.6-175.624.800110.4Q65 I70 V71 D108 I109Q63-Q65 HydrophobicContact CG-CG 4.22Å; Q63-I70 CarbonylContact O-C 3.56Å; Q63-I70 WeakPolarHBondContact O-CA 3.45Å; Q63-V71 PolarHBondContact N-O 3.23Å; Q63-V71 PolarHBondContact O-N 3.47Å; Q63-D108 CarbonylContact C-O 3.49Å; Q63-D108 WeakPolarHBondContact CA-O 3.25Å; Q63-I109 HydrophobicContact CB-CG1 4.29Å; Q63-I109 HydrophobicContact CG-CG1 4.44Å
64K93.6Very high90.8Very high24 Ų2449.2 Ų49.210%0.10427%0.265CS..EExtended strand (participates in β ladder)trans-97.7123.6172.9-171.7-177179.5-167.90109.2D67 L69 D91 W94 D108K64-D67 IonicContact NZ-OD1 3.68Å; K64-L69 CarbonylContact C-O 3.39Å; K64-L69 VanDerWaalsContact CA-O 3.29Å; K64-L69 WeakPolarHBondContact CA-O 3.41Å; K64-D91 IonicContact NZ-OD1 2.84Å; K64-D91 PolarHBondContact NZ-OD1 3.45Å; K64-W94 HydrophobicContact CB-CD2 3.94Å; K64-W94 HydrophobicContact CB-CE3 3.87Å; K64-W94 HydrophobicContact CB-CH2 3.75Å; K64-W94 HydrophobicContact CB-CZ2 3.85Å; K64-W94 HydrophobicContact CB-CZ3 3.77Å; K64-W94 HydrophobicContact CD-CD2 4.01Å; K64-W94 HydrophobicContact CD-CG 3.95Å; K64-W94 HydrophobicContact CG-CD2 4.4Å; K64-D108 PolarHBondContact N-O 2.87Å
65Q89.5Confident89.6Confident75 Ų7552.5 Ų52.535%0.3529%0.292SS..EExtended strand (participates in β ladder)trans-120.6140.2178.8-59.3-177.93.600110.8Q63 D67 T68 L69Q63-Q65 HydrophobicContact CG-CG 4.22Å; Q65-D67 PolarHBondContact O-N 2.88Å; Q65-T68 PolarHBondContact O-N 2.85Å; Q65-L69 HydrophobicContact CB-CB 4.19Å; Q65-L69 HydrophobicContact CB-CD2 4.25Å; Q65-L69 PolarHBondContact N-O 3.35Å; Q65-L69 WeakPolarHBondContact O-CB 3.34Å; Q65-L69 PolarHBondContact O-N 3.18Å
66Q87Confident88.1Confident179 Ų17959.2 Ų59.284%0.83632%0.324SS*.THydrogen-bonded Turntrans48.933.5174.3-60.2-178.5-16.300114.5T68Q66-T68 PolarHBondContact O-N 3.23Å
67D87Confident86.8Confident72 Ų7265 Ų6539%0.38536%0.355SS..THydrogen-bonded Turntrans62.1-13.1-177.6-72.3-45.3000117.8K64 Q65 K87 C90K64-D67 IonicContact NZ-OD1 3.68Å; Q65-D67 PolarHBondContact O-N 2.88Å; D67-K87 HydrophobicContact CB-CD 3.78Å; D67-K87 HydrophobicContact CB-CG 4.09Å; D67-K87 VanDerWaalsContact CG-CE 3.45Å; D67-K87 WeakPolarHBondContact OD1-CE 3.46Å; D67-K87 IonicContact OD1-NZ 3.19Å; D67-K87 PolarHBondContact OD1-NZ 2.9Å; D67-K87 VanDerWaalsContact OD1-NZ 3.1Å; D67-K87 IonicContact OD2-NZ 3.93Å; D67-K87 PolarHBondContact OD2-NZ 2.81Å; D67-C90 WeakPolarHBondContact O-CB 3.41Å; D67-C90 PolarHBondContact O-SG 3.41Å
68T91.7Very high86.5Confident44 Ų4468.3 Ų68.327%0.2736%0.364SS..THydrogen-bonded Turntrans-128.24.4-173.158.90000114.6Q65 Q66 F84 K87Q65-T68 PolarHBondContact O-N 2.85Å; Q66-T68 PolarHBondContact O-N 3.23Å; T68-F84 WeakPolarHBondContact O-CB 3.25Å; T68-F84 WeakPolarHBondContact O-CD2 3.49Å; T68-F84 PolarHBondContact O-N 2.54Å; T68-K87 HydrophobicContact CG2-CB 4.2Å
69L94.5Very high86.7Confident37 Ų3767 Ų6719%0.19435%0.354CS..EExtended strand (participates in β ladder)trans-121.8137.3179.5-163.275.7000110.3K64 Q65 V71 A81 L82K64-L69 CarbonylContact C-O 3.39Å; K64-L69 VanDerWaalsContact CA-O 3.29Å; K64-L69 WeakPolarHBondContact CA-O 3.41Å; Q65-L69 HydrophobicContact CB-CB 4.19Å; Q65-L69 HydrophobicContact CB-CD2 4.25Å; Q65-L69 PolarHBondContact N-O 3.35Å; Q65-L69 WeakPolarHBondContact O-CB 3.34Å; Q65-L69 PolarHBondContact O-N 3.18Å; L69-V71 HydrophobicContact CD2-CG2 3.59Å; L69-V71 HydrophobicContact CG-CG2 3.83Å; L69-A81 HydrophobicContact CD1-CB 4.36Å; L69-L82 WeakPolarHBondContact CA-O 3.47Å
70I95.9Very high87Confident0 Ų060.9 Ų60.90%032%0.321CS..EExtended strand (participates in β ladder)trans-123.7122168.9-60.1174.9000108.3Y62 Q63 W72 A81 L82 F84 I93 W94 I97Y62-I70 HydrophobicContact CD1-CG2 4.23Å; Q63-I70 CarbonylContact O-C 3.56Å; Q63-I70 WeakPolarHBondContact O-CA 3.45Å; I70-W72 HydrophobicContact CG2-CE3 4.21Å; I70-W72 HydrophobicContact CG2-CZ3 4.39Å; I70-A81 CarbonylContact O-C 3.56Å; I70-A81 WeakPolarHBondContact O-CA 3.5Å; I70-L82 PolarHBondContact N-O 3.27Å; I70-L82 PolarHBondContact O-N 3.1Å; I70-F84 HydrophobicContact CB-CE2 4.3Å; I70-F84 HydrophobicContact CD1-CE2 3.65Å; I70-F84 HydrophobicContact CD1-CZ 3.89Å; I70-F84 HydrophobicContact CG1-CE2 3.87Å; I70-I93 HydrophobicContact CD1-CB 4.3Å; I70-I93 HydrophobicContact CD1-CG2 3.97Å; I70-W94 HydrophobicContact CD1-CB 4.24Å; I70-W94 HydrophobicContact CD1-CE3 4.01Å; I70-W94 HydrophobicContact CG1-CE3 4.05Å; I70-W94 HydrophobicContact CG2-CE3 4.24Å; I70-W94 HydrophobicContact CG2-CZ3 4.15Å; I70-I97 HydrophobicContact CD1-CD1 4.2Å; I70-I97 HydrophobicContact CG2-CD1 4.06Å
71V94.4Very high87.3Confident22 Ų2259.9 Ų59.913%0.13332%0.315CS..EExtended strand (participates in β ladder)trans-120.8140-176.7-168.50000110W19 Q63 L69 L80 A81W19-V71 HydrophobicContact CH2-CG1 3.84Å; W19-V71 HydrophobicContact CZ2-CG1 4.24Å; Q63-V71 PolarHBondContact N-O 3.23Å; Q63-V71 PolarHBondContact O-N 3.47Å; L69-V71 HydrophobicContact CD2-CG2 3.59Å; L69-V71 HydrophobicContact CG-CG2 3.83Å; V71-L80 CarbonylContact C-O 3.59Å; V71-L80 VanDerWaalsContact CA-O 3.28Å; V71-L80 WeakPolarHBondContact CA-O 3.42Å; V71-L80 WeakPolarHBondContact CG1-O 3.1Å; V71-A81 HydrophobicContact CG1-CB 4.36Å; V71-A81 HydrophobicContact CG2-CB 3.92Å
72W94.2Very high87.6Confident6 Ų657.9 Ų57.92%0.02330%0.298CS..EExtended strand (participates in β ladder)trans-157.4159.9172.672.599.8000111.6L40 L52 T60 A61 Y62 I70 E74 L80 L82L40-W72 HydrophobicContact CD1-CH2 4.13Å; L40-W72 HydrophobicContact CD1-CZ2 4.43Å; L52-W72 HydrophobicContact CD2-CH2 3.74Å; L52-W72 HydrophobicContact CD2-CZ2 3.97Å; T60-W72 HydrophobicContact CG2-CB 4.07Å; T60-W72 HydrophobicContact CG2-CG 4.31Å; A61-W72 WeakPolarHBondContact O-CB 3.43Å; Y62-W72 HydrophobicContact CD1-CB 3.51Å; Y62-W72 AromaticContact CD1-CD2 3.7Å; Y62-W72 HydrophobicContact CD1-CD2 3.7Å; Y62-W72 AromaticContact CD1-CE3 3.82Å; Y62-W72 HydrophobicContact CD1-CE3 3.82Å; Y62-W72 AromaticContact CD1-CG 3.58Å; Y62-W72 HydrophobicContact CD1-CG 3.58Å; Y62-W72 HydrophobicContact CE1-CB 3.75Å; Y62-W72 AromaticContact CE1-CD1 3.7Å; Y62-W72 AromaticContact CE1-CD2 3.36Å; Y62-W72 HydrophobicContact CE1-CD2 3.36Å; Y62-W72 AromaticContact CE1-CE2 3.79Å; Y62-W72 AromaticContact CE1-CE3 3.83Å; Y62-W72 HydrophobicContact CE1-CE3 3.83Å; Y62-W72 AromaticContact CE1-CG 3.31Å; Y62-W72 HydrophobicContact CE1-CG 3.31Å; Y62-W72 AromaticContact CE1-NE1 3.95Å; Y62-W72 HydrophobicContact CG-CB 4.05Å; Y62-W72 HydrophobicContact CG-CG 4.5Å; I70-W72 HydrophobicContact CG2-CE3 4.21Å; I70-W72 HydrophobicContact CG2-CZ3 4.39Å; W72-E74 PolarHBondContact NE1-OE2 3.4Å; W72-L80 HydrophobicContact CD2-CB 4.05Å; W72-L80 HydrophobicContact CE3-CB 4.3Å; W72-L80 HydrophobicContact CH2-CB 4.04Å; W72-L80 HydrophobicContact CH2-CD1 4.46Å; W72-L80 HydrophobicContact CZ2-CB 3.78Å; W72-L80 HydrophobicContact CZ2-CD1 3.55Å; W72-L80 HydrophobicContact CZ2-CG 4.32Å; W72-L80 HydrophobicContact CZ3-CB 4.29Å; W72-L80 PolarHBondContact N-O 3.25Å; W72-L80 PolarHBondContact O-N 2.83Å; W72-L82 HydrophobicContact CH2-CD1 3.89Å; W72-L82 HydrophobicContact CH2-CG 3.85Å; W72-L82 HydrophobicContact CZ3-CD1 3.97Å; W72-L82 HydrophobicContact CZ3-CG 3.81Å
73S87Confident87.7Confident59 Ų5959.7 Ų59.741%0.41331%0.311SS..EExtended strand (participates in β ladder)trans-96126171.3-45.40000110.3D79S73-D79 VanDerWaalsContact CB-OD1 3.23Å; S73-D79 WeakPolarHBondContact CB-OD1 3.25Å; S73-D79 PolarHBondContact OG-OD1 3.15Å
74E82.2Confident87.8Confident33 Ų3356.2 Ų56.215%0.15429%0.294CS..EExtended strand (participates in β ladder)trans-96.397.3176.7-169.9100.6-154.400109.6S54 W72 Y78 L80S54-E74 WeakPolarHBondContact CB-OE2 3.46Å; S54-E74 PolarHBondContact OG-OE1 3.35Å; S54-E74 PolarHBondContact OG-OE2 3.24Å; W72-E74 PolarHBondContact NE1-OE2 3.4Å; E74-Y78 HydrophobicContact CB-CD2 3.9Å; E74-Y78 HydrophobicContact CB-CE2 3.81Å; E74-Y78 HydrophobicContact CG-CE2 3.94Å; E74-Y78 PolarHBondContact N-O 3.29Å; E74-L80 HydrophobicContact CB-CD1 3.85Å
75A68.3Low87.8Confident70 Ų7059.9 Ų59.958%0.57931%0.312SS*.G310 helixtrans56.7-177.2-166.700000112.2N77A75-N77 PolarHBondContact O-N 2.89Å
76E61.8Low87.9Confident202 Ų20259.7 Ų59.794%0.94431%0.311SS*.G310 helixtrans-69.712.6-176.9-64.4177.2178.900114.2
77N66.4Low88.1Confident125 Ų12555.7 Ų55.767%0.66829%0.291SS*.G310 helixtrans-117.8-26.3-162.2-65.5-36000115.7A75A75-N77 PolarHBondContact O-N 2.89Å
78Y82.2Confident88.4Confident123 Ų12354.3 Ų54.348%0.48229%0.29SS..EExtended strand (participates in β ladder)trans-161.6137-178.328.5-93.1000113.3E74E74-Y78 HydrophobicContact CB-CD2 3.9Å; E74-Y78 HydrophobicContact CB-CE2 3.81Å; E74-Y78 HydrophobicContact CG-CE2 3.94Å; E74-Y78 PolarHBondContact N-O 3.29Å
79D90.5Very high88.4Confident51 Ų5152.3 Ų52.327%0.27328%0.278SS..EExtended strand (participates in β ladder)trans-90.2137.9173.9-60.7-49.9000111.2T12 L13 W19 S73T12-D79 WeakPolarHBondContact CA-O 3.45Å; L13-D79 HydrophobicContact CB-CB 3.81Å; L13-D79 HydrophobicContact CD2-CB 4.24Å; L13-D79 VanDerWaalsContact CD2-OD2 3.31Å; L13-D79 WeakPolarHBondContact CD2-OD2 3.45Å; L13-D79 PolarHBondContact N-O 3.38Å; W19-D79 HydrophobicContact CH2-CB 3.99Å; W19-D79 HydrophobicContact CZ3-CB 4.38Å; S73-D79 VanDerWaalsContact CB-OD1 3.23Å; S73-D79 WeakPolarHBondContact CB-OD1 3.25Å; S73-D79 PolarHBondContact OG-OD1 3.15Å
80L93.8Very high88.4Confident9 Ų950.6 Ų50.65%0.04727%0.269CS..EExtended strand (participates in β ladder)trans-122.6141.3-176.6-67.9173.8000110.4Y11 T12 L52 V71 W72 E74Y11-L80 WeakPolarHBondContact O-CA 3.22Å; T12-L80 HydrophobicContact CG2-CD2 3.39Å; L52-L80 HydrophobicContact CD1-CD1 3.88Å; L52-L80 HydrophobicContact CD1-CD2 4.37Å; V71-L80 CarbonylContact C-O 3.59Å; V71-L80 VanDerWaalsContact CA-O 3.28Å; V71-L80 WeakPolarHBondContact CA-O 3.42Å; V71-L80 WeakPolarHBondContact CG1-O 3.1Å; W72-L80 HydrophobicContact CD2-CB 4.05Å; W72-L80 HydrophobicContact CE3-CB 4.3Å; W72-L80 HydrophobicContact CH2-CB 4.04Å; W72-L80 HydrophobicContact CH2-CD1 4.46Å; W72-L80 HydrophobicContact CZ2-CB 3.78Å; W72-L80 HydrophobicContact CZ2-CD1 3.55Å; W72-L80 HydrophobicContact CZ2-CG 4.32Å; W72-L80 HydrophobicContact CZ3-CB 4.29Å; W72-L80 PolarHBondContact N-O 3.25Å; W72-L80 PolarHBondContact O-N 2.83Å; E74-L80 HydrophobicContact CB-CD1 3.85Å
81A95.6Very high88.3Confident3 Ų353.3 Ų53.33%0.02528%0.283CS..EExtended strand (participates in β ladder)trans-133.7139.9170.700000112.2Y11 W19 L69 I70 V71Y11-A81 PolarHBondContact N-O 3.08Å; Y11-A81 PolarHBondContact O-N 3.19Å; W19-A81 HydrophobicContact CE3-CB 4.31Å; W19-A81 HydrophobicContact CH2-CB 3.93Å; W19-A81 HydrophobicContact CZ3-CB 3.77Å; L69-A81 HydrophobicContact CD1-CB 4.36Å; I70-A81 CarbonylContact O-C 3.56Å; I70-A81 WeakPolarHBondContact O-CA 3.5Å; V71-A81 HydrophobicContact CG1-CB 4.36Å; V71-A81 HydrophobicContact CG2-CB 3.92Å
82L96.5Very high88.3Confident0 Ų054.7 Ų54.70%029%0.288CS..EExtended strand (participates in β ladder)trans-110.8113.1169.7-66.7178.4000109.2V8 V10 V27 L40 V42 L52 L69 I70 W72 F84V8-L82 HydrophobicContact CG2-CD2 4.24Å; V10-L82 HydrophobicContact CB-CD2 4.37Å; V10-L82 HydrophobicContact CG1-CD2 4.31Å; V10-L82 HydrophobicContact CG2-CD2 3.79Å; V27-L82 HydrophobicContact CG2-CD1 4.21Å; L40-L82 HydrophobicContact CD1-CD1 4.32Å; V42-L82 HydrophobicContact CG2-CD2 3.88Å; L52-L82 HydrophobicContact CD2-CD2 3.99Å; L69-L82 WeakPolarHBondContact CA-O 3.47Å; I70-L82 PolarHBondContact N-O 3.27Å; I70-L82 PolarHBondContact O-N 3.1Å; W72-L82 HydrophobicContact CH2-CD1 3.89Å; W72-L82 HydrophobicContact CH2-CG 3.85Å; W72-L82 HydrophobicContact CZ3-CD1 3.97Å; W72-L82 HydrophobicContact CZ3-CG 3.81Å; L82-F84 HydrophobicContact CB-CD2 4.35Å; L82-F84 HydrophobicContact CB-CE2 3.69Å; L82-F84 HydrophobicContact CB-CZ 4.3Å; L82-F84 HydrophobicContact CD1-CZ 4.41Å; L82-F84 WeakPolarHBondContact O-CD2 3.42Å
83S96.4Very high88.4Confident39 Ų3954.6 Ų54.627%0.27329%0.288SS..EExtended strand (participates in β ladder)trans-97110.3173.5-175.60000109.7V8 K9V8-S83 CarbonylContact C-O 3.52Å; V8-S83 WeakPolarHBondContact CA-O 3Å; K9-S83 PolarHBondContact N-O 3.46Å; K9-S83 PolarHBondContact O-N 2.86Å
84F96.3Very high88.8Confident7 Ų752 Ų523%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-82.6139.1-179.2-67-104.3000111V8 V27 T68 I70 L82 E86 G89 C90 I93V8-F84 HydrophobicContact CG1-CB 4.39Å; V8-F84 HydrophobicContact CG1-CD1 3.4Å; V8-F84 VanDerWaalsContact CG1-CD1 3.4Å; V8-F84 HydrophobicContact CG1-CD2 4.15Å; V8-F84 HydrophobicContact CG1-CE1 3.57Å; V8-F84 HydrophobicContact CG1-CE2 4.26Å; V8-F84 HydrophobicContact CG1-CG 3.72Å; V8-F84 HydrophobicContact CG1-CZ 3.99Å; V27-F84 HydrophobicContact CG1-CD1 4.44Å; V27-F84 HydrophobicContact CG1-CE1 3.63Å; V27-F84 HydrophobicContact CG1-CZ 4.22Å; T68-F84 WeakPolarHBondContact O-CB 3.25Å; T68-F84 WeakPolarHBondContact O-CD2 3.49Å; T68-F84 PolarHBondContact O-N 2.54Å; I70-F84 HydrophobicContact CB-CE2 4.3Å; I70-F84 HydrophobicContact CD1-CE2 3.65Å; I70-F84 HydrophobicContact CD1-CZ 3.89Å; I70-F84 HydrophobicContact CG1-CE2 3.87Å; L82-F84 HydrophobicContact CB-CD2 4.35Å; L82-F84 HydrophobicContact CB-CE2 3.69Å; L82-F84 HydrophobicContact CB-CZ 4.3Å; L82-F84 HydrophobicContact CD1-CZ 4.41Å; L82-F84 WeakPolarHBondContact O-CD2 3.42Å; F84-E86 VanDerWaalsContact C-N 3.31Å; F84-G89 VanDerWaalsContact CD1-C 3.45Å; F84-G89 WeakPolarHBondContact CE1-O 3.39Å; F84-C90 HydrophobicContact CB-CB 3.96Å; F84-C90 HydrophobicContact CD1-CB 4.06Å; F84-C90 HydrophobicContact CD2-CB 3.77Å; F84-C90 HydrophobicContact CE2-CB 4.28Å; F84-C90 HydrophobicContact CG-CB 3.66Å; F84-I93 HydrophobicContact CE1-CB 4.1Å; F84-I93 HydrophobicContact CE1-CG1 3.76Å; F84-I93 HydrophobicContact CZ-CB 3.83Å; F84-I93 HydrophobicContact CZ-CG1 3.9Å; F84-I93 HydrophobicContact CZ-CG2 4.09Å
85Q92.7Very high89.4Confident102 Ų10256.1 Ų56.148%0.47729%0.289SS..SBendtrans-70.8-30.6172-177.5169.9-9.200112.1R7R7-Q85 HydrophobicContact CB-CB 4.36Å; R7-Q85 PolarHBondContact O-N 3.3Å
86E91.3Very high90.6Very high70 Ų7055.2 Ų55.233%0.32727%0.272SS..SBendtrans-129.3132.7-178.6-67-178.3-169.100111.1T4 R5 F84 A88 G89 C90T4-E86 WeakPolarHBondContact CB-OE1 3.39Å; T4-E86 PolarHBondContact OG1-OE1 2.86Å; R5-E86 VanDerWaalsContact CA-OE2 3.31Å; R5-E86 WeakPolarHBondContact CA-OE2 3.22Å; F84-E86 VanDerWaalsContact C-N 3.31Å; E86-A88 PolarHBondContact O-N 2.62Å; E86-G89 PolarHBondContact O-N 2.82Å; E86-C90 PolarHBondContact O-N 3.43Å
87K92.6Very high92.2Very high96 Ų9645.6 Ų45.642%0.41723%0.227SC..Hα-helixtrans-51.3-41.9175177.2173.6-176.2164.60112.8D67 T68 G89 C90 D91D67-K87 HydrophobicContact CB-CD 3.78Å; D67-K87 HydrophobicContact CB-CG 4.09Å; D67-K87 VanDerWaalsContact CG-CE 3.45Å; D67-K87 WeakPolarHBondContact OD1-CE 3.46Å; D67-K87 IonicContact OD1-NZ 3.19Å; D67-K87 PolarHBondContact OD1-NZ 2.9Å; D67-K87 VanDerWaalsContact OD1-NZ 3.1Å; D67-K87 IonicContact OD2-NZ 3.93Å; D67-K87 PolarHBondContact OD2-NZ 2.81Å; T68-K87 HydrophobicContact CG2-CB 4.2Å; K87-G89 PolarHBondContact O-N 3.44Å; K87-G89 VanDerWaalsContact O-N 3.13Å; K87-C90 WeakPolarHBondContact O-CA 3.29Å; K87-C90 VanDerWaalsContact O-CB 3.32Å; K87-C90 WeakPolarHBondContact O-CB 3.42Å; K87-C90 PolarHBondContact O-N 3.37Å; K87-D91 PolarHBondContact O-N 3.4Å
88A91.8Very high93.5Very high43 Ų4339.7 Ų39.736%0.35520%0.195SC..Hα-helixtrans-63.4-20.9-178.800000114.4R5 E86R5-A88 HydrophobicContact CG-CB 4.45Å; R5-A88 PolarHBondContact NE-O 2.89Å; R5-A88 VanDerWaalsContact NE-O 3.11Å; R5-A88 PolarHBondContact NH2-O 3.23Å; E86-A88 PolarHBondContact O-N 2.62Å
89G92.3Very high94Very high2 Ų239.9 Ų39.92%0.02120%0.2CC..Hα-helixtrans-82.5-40.5171.200000112.9R5 F84 E86 K87 D91 E92 I93R5-G89 WeakPolarHBondContact O-CA 3.45Å; F84-G89 VanDerWaalsContact CD1-C 3.45Å; F84-G89 WeakPolarHBondContact CE1-O 3.39Å; E86-G89 PolarHBondContact O-N 2.82Å; K87-G89 PolarHBondContact O-N 3.44Å; K87-G89 VanDerWaalsContact O-N 3.13Å; G89-D91 VanDerWaalsContact C-N 3.34Å; G89-E92 PolarHBondContact O-N 3.27Å; G89-I93 PolarHBondContact O-N 3.39Å; G89-I93 VanDerWaalsContact O-N 3.15Å
90C95.1Very high94.1Very high0 Ų039.9 Ų39.90%020%0.202CC..Hα-helixtrans-57.5-49.9173.4-173.90000110.1D67 F84 E86 K87 E92 I93 W94D67-C90 WeakPolarHBondContact O-CB 3.41Å; D67-C90 PolarHBondContact O-SG 3.41Å; F84-C90 HydrophobicContact CB-CB 3.96Å; F84-C90 HydrophobicContact CD1-CB 4.06Å; F84-C90 HydrophobicContact CD2-CB 3.77Å; F84-C90 HydrophobicContact CE2-CB 4.28Å; F84-C90 HydrophobicContact CG-CB 3.66Å; E86-C90 PolarHBondContact O-N 3.43Å; K87-C90 WeakPolarHBondContact O-CA 3.29Å; K87-C90 VanDerWaalsContact O-CB 3.32Å; K87-C90 WeakPolarHBondContact O-CB 3.42Å; K87-C90 PolarHBondContact O-N 3.37Å; C90-E92 VanDerWaalsContact C-N 3.34Å; C90-E92 PolarHBondContact O-N 2.97Å; C90-I93 PolarHBondContact O-N 3.17Å; C90-W94 VanDerWaalsContact O-CB 3.25Å; C90-W94 WeakPolarHBondContact O-CB 3.34Å; C90-W94 PolarHBondContact O-N 3.5Å
91D93.8Very high94Very high57 Ų5740.5 Ų40.531%0.30521%0.205SC..Hα-helixtrans-59.2-40.5178.8-67-24.2000112.6K64 K87 G89 W94 E95K64-D91 IonicContact NZ-OD1 2.84Å; K64-D91 PolarHBondContact NZ-OD1 3.45Å; K87-D91 PolarHBondContact O-N 3.4Å; G89-D91 VanDerWaalsContact C-N 3.34Å; D91-W94 PolarHBondContact O-N 3.01Å; D91-E95 VanDerWaalsContact O-CB 3.29Å; D91-E95 WeakPolarHBondContact O-CB 3.45Å; D91-E95 PolarHBondContact O-N 3.39Å
92E93.8Very high93.6Very high52 Ų5243.7 Ų43.724%0.24324%0.238CC..Hα-helixtrans-64.9-43.1179.1-176.9-177.5156.300111.9R5 R6 G89 C90 K96R5-E92 IonicContact CZ-OE2 2.87Å; R5-E92 IonicContact NE-OE2 2.72Å; R5-E92 PolarHBondContact NE-OE2 2.97Å; R5-E92 IonicContact NH1-OE2 3.34Å; R5-E92 IonicContact NH2-OE2 2.78Å; R5-E92 PolarHBondContact NH2-OE2 3.21Å; R6-E92 IonicContact CZ-OE1 2.84Å; R6-E92 IonicContact NE-OE1 3.94Å; R6-E92 IonicContact NH2-OE1 3.42Å; R6-E92 PolarHBondContact NH2-OE1 3.46Å; G89-E92 PolarHBondContact O-N 3.27Å; C90-E92 VanDerWaalsContact C-N 3.34Å; C90-E92 PolarHBondContact O-N 2.97Å; E92-K96 PolarHBondContact O-N 3.46Å
93I95.4Very high93.3Very high4 Ų447.1 Ų47.12%0.02125%0.253CS..Hα-helixtrans-72.6-39.5177.2-65-59.7000110.9V27 L40 I70 F84 G89 C90 K96 I97V27-I93 HydrophobicContact CG1-CD1 4.12Å; V27-I93 HydrophobicContact CG1-CG1 3.8Å; V27-I93 HydrophobicContact CG2-CD1 4.07Å; V27-I93 HydrophobicContact CG2-CG1 4.23Å; L40-I93 HydrophobicContact CD2-CG2 3.71Å; I70-I93 HydrophobicContact CD1-CB 4.3Å; I70-I93 HydrophobicContact CD1-CG2 3.97Å; F84-I93 HydrophobicContact CE1-CB 4.1Å; F84-I93 HydrophobicContact CE1-CG1 3.76Å; F84-I93 HydrophobicContact CZ-CB 3.83Å; F84-I93 HydrophobicContact CZ-CG1 3.9Å; F84-I93 HydrophobicContact CZ-CG2 4.09Å; G89-I93 PolarHBondContact O-N 3.39Å; G89-I93 VanDerWaalsContact O-N 3.15Å; C90-I93 PolarHBondContact O-N 3.17Å; I93-K96 WeakPolarHBondContact O-CB 3.38Å; I93-K96 PolarHBondContact O-N 3.28Å; I93-K96 VanDerWaalsContact O-N 3.15Å; I93-I97 HydrophobicContact CG2-CD1 3.92Å; I93-I97 HydrophobicContact CG2-CG1 4.37Å; I93-I97 WeakPolarHBondContact O-CG1 3.28Å; I93-I97 PolarHBondContact O-N 3.13Å
94W96Very high92.8Very high4 Ų450 Ų502%0.01527%0.265CS..Hα-helixtrans-60.9-48.2177-173.6-110.1000112.1Y62 K64 I70 C90 D91 K96 I97 C98 P105 V107 D108 T110Y62-W94 WeakPolarHBondContact O-CH2 3.25Å; K64-W94 HydrophobicContact CB-CD2 3.94Å; K64-W94 HydrophobicContact CB-CE3 3.87Å; K64-W94 HydrophobicContact CB-CH2 3.75Å; K64-W94 HydrophobicContact CB-CZ2 3.85Å; K64-W94 HydrophobicContact CB-CZ3 3.77Å; K64-W94 HydrophobicContact CD-CD2 4.01Å; K64-W94 HydrophobicContact CD-CG 3.95Å; K64-W94 HydrophobicContact CG-CD2 4.4Å; I70-W94 HydrophobicContact CD1-CB 4.24Å; I70-W94 HydrophobicContact CD1-CE3 4.01Å; I70-W94 HydrophobicContact CG1-CE3 4.05Å; I70-W94 HydrophobicContact CG2-CE3 4.24Å; I70-W94 HydrophobicContact CG2-CZ3 4.15Å; C90-W94 VanDerWaalsContact O-CB 3.25Å; C90-W94 WeakPolarHBondContact O-CB 3.34Å; C90-W94 PolarHBondContact O-N 3.5Å; D91-W94 PolarHBondContact O-N 3.01Å; W94-K96 PolarHBondContact O-N 3.23Å; W94-I97 PolarHBondContact O-N 3.28Å; W94-I97 VanDerWaalsContact O-N 3.15Å; W94-C98 WeakPolarHBondContact O-CB 3.44Å; W94-C98 PolarHBondContact O-N 3.18Å; W94-C98 PolarHBondContact O-SG 2.96Å; W94-P105 PolarHBondContact NE1-O 3.27Å; W94-V107 HydrophobicContact CZ2-CG2 4.29Å; W94-V107 WeakPolarHBondContact CZ2-O 3.34Å; W94-V107 PolarHBondContact NE1-O 3.02Å; W94-D108 WeakPolarHBondContact CH2-O 3.42Å; W94-T110 HydrophobicContact CH2-CG2 3.61Å; W94-T110 HydrophobicContact CZ2-CG2 3.79Å; W94-T110 HydrophobicContact CZ3-CG2 4.15Å
95E94.7Very high92.5Very high120 Ų12052.4 Ų52.456%0.56128%0.281SS*.Hα-helixtrans-57.4-38174.8-175.1178.8-162.500110.7D91 Q99 P105D91-E95 VanDerWaalsContact O-CB 3.29Å; D91-E95 WeakPolarHBondContact O-CB 3.45Å; D91-E95 PolarHBondContact O-N 3.39Å; E95-Q99 WeakPolarHBondContact O-CB 3.4Å; E95-Q99 PolarHBondContact O-N 3.46Å; E95-P105 HydrophobicContact CB-CB 4.46Å; E95-P105 HydrophobicContact CB-CG 4.45Å; E95-P105 HydrophobicContact CG-CB 4.4Å; E95-P105 HydrophobicContact CG-CG 3.94Å
96K93.8Very high92.2Very high51 Ų5152 Ų5222%0.22229%0.29CS..Hα-helixtrans-68.1-43.8176.7-167.272.6-170167.10113E92 I93 W94 Q99 V100E92-K96 PolarHBondContact O-N 3.46Å; I93-K96 WeakPolarHBondContact O-CB 3.38Å; I93-K96 PolarHBondContact O-N 3.28Å; I93-K96 VanDerWaalsContact O-N 3.15Å; W94-K96 PolarHBondContact O-N 3.23Å; K96-Q99 PolarHBondContact O-N 2.75Å; K96-V100 VanDerWaalsContact O-CG2 3.28Å; K96-V100 WeakPolarHBondContact O-CG2 3.39Å; K96-V100 PolarHBondContact O-N 3.42Å
97I95.5Very high92.1Very high0 Ų051 Ų510%029%0.288CS..Hα-helixtrans-59.9-50.9176.1-67.5165.2000109.3L40 I56 Y62 I70 I93 W94 Q99 V100 Q101 T110L40-I97 HydrophobicContact CD1-CD1 4.07Å; L40-I97 HydrophobicContact CD1-CG1 4.43Å; L40-I97 HydrophobicContact CD2-CG1 4.45Å; I56-I97 HydrophobicContact CD1-CG1 3.99Å; I56-I97 HydrophobicContact CG1-CG1 4.44Å; I56-I97 HydrophobicContact CG2-CG2 4.17Å; Y62-I97 HydrophobicContact CD1-CD1 3.99Å; Y62-I97 HydrophobicContact CD1-CG2 4.24Å; Y62-I97 HydrophobicContact CD2-CG2 3.55Å; Y62-I97 HydrophobicContact CE1-CD1 4.38Å; Y62-I97 HydrophobicContact CE2-CG2 4.05Å; Y62-I97 HydrophobicContact CG-CD1 4.4Å; Y62-I97 HydrophobicContact CG-CG2 3.68Å; I70-I97 HydrophobicContact CD1-CD1 4.2Å; I70-I97 HydrophobicContact CG2-CD1 4.06Å; I93-I97 HydrophobicContact CG2-CD1 3.92Å; I93-I97 HydrophobicContact CG2-CG1 4.37Å; I93-I97 WeakPolarHBondContact O-CG1 3.28Å; I93-I97 PolarHBondContact O-N 3.13Å; W94-I97 PolarHBondContact O-N 3.28Å; W94-I97 VanDerWaalsContact O-N 3.15Å; I97-Q99 VanDerWaalsContact C-N 3.34Å; I97-Q99 PolarHBondContact O-N 3.43Å; I97-V100 PolarHBondContact O-N 3.23Å; I97-V100 VanDerWaalsContact O-N 3.12Å; I97-Q101 PolarHBondContact O-N 2.94Å; I97-T110 HydrophobicContact CG2-CG2 4.12Å
98C93.8Very high91.9Very high0 Ų051.6 Ų51.60%030%0.296CS..Hα-helixtrans-57.9-45.1178-66.50000111.6W94 V100 Q101 G102 K103 P105W94-C98 WeakPolarHBondContact O-CB 3.44Å; W94-C98 PolarHBondContact O-N 3.18Å; W94-C98 PolarHBondContact O-SG 2.96Å; C98-V100 VanDerWaalsContact C-N 3.33Å; C98-V100 PolarHBondContact O-N 3.47Å; C98-Q101 CarbonylContact O-C 3.59Å; C98-Q101 PolarHBondContact O-N 2.79Å; C98-G102 PolarHBondContact O-N 2.93Å; C98-K103 HydrophobicContact CB-CB 4.39Å; C98-K103 WeakPolarHBondContact CB-O 2.99Å; C98-K103 PolarHBondContact O-N 3.4Å; C98-P105 HydrophobicContact CB-CB 4.48Å; C98-P105 HydrophobicContact CB-CG 4.2Å
99Q91.7Very high91.9Very high128 Ų12851.7 Ų51.760%0.59829%0.29SS*.Hα-helixtrans-58.9-41.7176179.7-178.162.100112.6E95 K96 I97 G102E95-Q99 WeakPolarHBondContact O-CB 3.4Å; E95-Q99 PolarHBondContact O-N 3.46Å; K96-Q99 PolarHBondContact O-N 2.75Å; I97-Q99 VanDerWaalsContact C-N 3.34Å; I97-Q99 PolarHBondContact O-N 3.43Å; Q99-G102 PolarHBondContact O-N 3.25Å
100V92.2Very high91.7Very high51 Ų5151.6 Ų51.631%0.30929%0.289SS..Hα-helixtrans-69.5-35.3179.3173.40000111.4M38 I56 K96 I97 C98M38-V100 HydrophobicContact CB-CG1 4.33Å; M38-V100 HydrophobicContact CB-CG2 3.75Å; M38-V100 HydrophobicContact CG-CG2 3.71Å; I56-V100 HydrophobicContact CB-CB 4.48Å; I56-V100 HydrophobicContact CB-CG1 4.02Å; I56-V100 HydrophobicContact CD1-CG2 4.3Å; I56-V100 HydrophobicContact CG2-CB 3.96Å; I56-V100 HydrophobicContact CG2-CG1 3.75Å; K96-V100 VanDerWaalsContact O-CG2 3.28Å; K96-V100 WeakPolarHBondContact O-CG2 3.39Å; K96-V100 PolarHBondContact O-N 3.42Å; I97-V100 PolarHBondContact O-N 3.23Å; I97-V100 VanDerWaalsContact O-N 3.12Å; C98-V100 VanDerWaalsContact C-N 3.33Å; C98-V100 PolarHBondContact O-N 3.47Å
101Q92.7Very high90.9Very high22 Ų2253.6 Ų53.610%0.10330%0.299CS..Hα-helixtrans-85.1-8.4177.1-62-161.6-1900114.2I56 N57 T60 I97 C98 K103 T110I56-Q101 HydrophobicContact CG2-CG 4.33Å; N57-Q101 PolarHBondContact O-NE2 2.88Å; T60-Q101 PolarHBondContact O-NE2 3.32Å; I97-Q101 PolarHBondContact O-N 2.94Å; C98-Q101 CarbonylContact O-C 3.59Å; C98-Q101 PolarHBondContact O-N 2.79Å; Q101-K103 HydrophobicContact CB-CG 4.12Å; Q101-T110 PolarHBondContact OE1-OG1 3.28Å
102G87.6Confident89.3Confident70 Ų7056.1 Ų56.172%0.72231%0.312SS*.THydrogen-bonded Turntrans73.229.2-176.500000114.1C98 Q99C98-G102 PolarHBondContact O-N 2.93Å; Q99-G102 PolarHBondContact O-N 3.25Å
103K89.3Confident87.4Confident71 Ų7160.2 Ų60.231%0.30934%0.335SS..  trans-106.1156.3-178.5-64.7-76.6-177.8151.70111.2C98 Q101 T110 D112C98-K103 HydrophobicContact CB-CB 4.39Å; C98-K103 WeakPolarHBondContact CB-O 2.99Å; C98-K103 PolarHBondContact O-N 3.4Å; Q101-K103 HydrophobicContact CB-CG 4.12Å; K103-T110 WeakPolarHBondContact CD-O 3.32Å; K103-T110 WeakPolarHBondContact CE-O 3.35Å; K103-T110 VanDerWaalsContact CG-O 3.32Å; K103-T110 WeakPolarHBondContact CG-O 3.45Å; K103-T110 PolarHBondContact NZ-O 3.47Å; K103-D112 IonicContact NZ-OD2 3.53Å
104D87Confident85Confident101 Ų10166.5 Ų66.554%0.5437%0.373SS..  trans-72.5127.7174.8-166.2-38.1000109.7S106 V107D104-S106 PolarHBondContact O-N 3.45Å; D104-S106 WeakPolarHBondContact OD1-CB 3.47Å; D104-S106 PolarHBondContact OD1-N 3.33Å; D104-S106 PolarHBondContact OD1-OG 3.17Å; D104-V107 VanDerWaalsContact O-CG2 3.25Å; D104-V107 WeakPolarHBondContact O-CG2 3.44Å; D104-V107 PolarHBondContact O-N 3.45Å
105P89.1Confident82.4Confident56 Ų5670 Ų7036%0.36439%0.392SS..THydrogen-bonded Turntrans-57.8-13.8175-23.933.8000115.6W94 E95 C98 V107W94-P105 PolarHBondContact NE1-O 3.27Å; E95-P105 HydrophobicContact CB-CB 4.46Å; E95-P105 HydrophobicContact CB-CG 4.45Å; E95-P105 HydrophobicContact CG-CB 4.4Å; E95-P105 HydrophobicContact CG-CG 3.94Å; C98-P105 HydrophobicContact CB-CB 4.48Å; C98-P105 HydrophobicContact CB-CG 4.2Å; P105-V107 VanDerWaalsContact C-N 3.26Å; P105-V107 PolarHBondContact O-N 3.11Å
106S87.4Confident79.9Confident93 Ų9371.8 Ų71.865%0.6540%0.401SS*.THydrogen-bonded Turntrans-75.4-8.2178.275.60000114.8D104D104-S106 PolarHBondContact O-N 3.45Å; D104-S106 WeakPolarHBondContact OD1-CB 3.47Å; D104-S106 PolarHBondContact OD1-N 3.33Å; D104-S106 PolarHBondContact OD1-OG 3.17Å
107V88.6Confident77.5Confident49 Ų4970.4 Ų70.430%0.29740%0.397SS..  trans-80.6152.1177.5-55.20000111.1W94 D104 P105 I109W94-V107 HydrophobicContact CZ2-CG2 4.29Å; W94-V107 WeakPolarHBondContact CZ2-O 3.34Å; W94-V107 PolarHBondContact NE1-O 3.02Å; D104-V107 VanDerWaalsContact O-CG2 3.25Å; D104-V107 WeakPolarHBondContact O-CG2 3.44Å; D104-V107 PolarHBondContact O-N 3.45Å; P105-V107 VanDerWaalsContact C-N 3.26Å; P105-V107 PolarHBondContact O-N 3.11Å; V107-I109 WeakPolarHBondContact CG2-O 3.11Å
108D88.9Confident74.9Confident110 Ų11077.2 Ų77.259%0.58843%0.429SS*.SBendtrans-90.3-18.4172.1-66-41.2000112.5Q63 K64 W94Q63-D108 CarbonylContact C-O 3.49Å; Q63-D108 WeakPolarHBondContact CA-O 3.25Å; K64-D108 PolarHBondContact N-O 2.87Å; W94-D108 WeakPolarHBondContact CH2-O 3.42Å
109I90.3Very high72.6Confident45 Ų4583.4 Ų83.423%0.23146%0.458CS..BIsolated β-bridgetrans-133.2133.4174.3-159.5177.3000110.3Y62 Q63 V107 Q111 L113Y62-I109 WeakPolarHBondContact O-CA 3.44Å; Y62-I109 WeakPolarHBondContact O-CG1 3.39Å; Q63-I109 HydrophobicContact CB-CG1 4.29Å; Q63-I109 HydrophobicContact CG-CG1 4.44Å; V107-I109 WeakPolarHBondContact CG2-O 3.11Å; I109-Q111 WeakPolarHBondContact CD1-O 3.48Å; I109-Q111 VanDerWaalsContact CG1-O 3.26Å; I109-Q111 WeakPolarHBondContact CG1-O 3.48Å; I109-L113 HydrophobicContact CD1-CG 4.09Å
110T88.1Confident70.5Confident0 Ų082.7 Ų82.70%046%0.455CS..SBendtrans-84.3-35.9-172.163.80000113.6Y62 W94 I97 Q101 K103Y62-T110 PolarHBondContact N-OG1 2.91Å; Y62-T110 VanDerWaalsContact N-OG1 3.14Å; Y62-T110 PolarHBondContact O-N 3.35Å; W94-T110 HydrophobicContact CH2-CG2 3.61Å; W94-T110 HydrophobicContact CZ2-CG2 3.79Å; W94-T110 HydrophobicContact CZ3-CG2 4.15Å; I97-T110 HydrophobicContact CG2-CG2 4.12Å; Q101-T110 PolarHBondContact OE1-OG1 3.28Å; K103-T110 WeakPolarHBondContact CD-O 3.32Å; K103-T110 WeakPolarHBondContact CE-O 3.35Å; K103-T110 VanDerWaalsContact CG-O 3.32Å; K103-T110 WeakPolarHBondContact CG-O 3.45Å; K103-T110 PolarHBondContact NZ-O 3.47Å
111Q79.6Confident68.2Low42 Ų4289.2 Ų89.220%0.19647%0.474CS..SBendtrans-103.6127.5167.1-56.8-61.4-60.100105.8P58 T60 A61 I109 L113P58-Q111 PolarHBondContact O-NE2 3.26Å; T60-Q111 VanDerWaalsContact O-CG 3.27Å; T60-Q111 WeakPolarHBondContact O-CG 3.48Å; A61-Q111 HydrophobicContact CB-CB 3.88Å; A61-Q111 HydrophobicContact CB-CG 4.32Å; I109-Q111 WeakPolarHBondContact CD1-O 3.48Å; I109-Q111 VanDerWaalsContact CG1-O 3.26Å; I109-Q111 WeakPolarHBondContact CG1-O 3.48Å; Q111-L113 PolarHBondContact O-N 2.97Å; Q111-L113 VanDerWaalsContact O-N 3.14Å
112D60.5Low65.9Low109 Ų10996.9 Ų96.958%0.58351%0.507SS*.  trans-52127.3163.9-58.1-54.8000105.5K103 V114K103-D112 IonicContact NZ-OD2 3.53Å; D112-V114 PolarHBondContact O-N 3.17Å
113L53.6Low63.9Low138 Ų13897.4 Ų97.472%0.72349%0.493SS*.  trans-39.4123.8162.4-78.4166.4000104.5I109 Q111 D115I109-L113 HydrophobicContact CD1-CG 4.09Å; Q111-L113 PolarHBondContact O-N 2.97Å; Q111-L113 VanDerWaalsContact O-N 3.14Å; L113-D115 WeakPolarHBondContact O-CA 3.21Å; L113-D115 PolarHBondContact O-N 3.19Å
114V44.4Very low61.6Low137 Ų137101.4 Ų101.483%0.8352%0.518SS*.  trans-39.2104.4-178.2171.80000104.9D112 E116D112-V114 PolarHBondContact O-N 3.17Å; V114-E116 VanDerWaalsContact C-N 3.26Å; V114-E116 PolarHBondContact O-N 3.05Å
115D41.6Very low59.4Low78 Ų78104.3 Ų104.342%0.41753%0.53SS..  trans-73.1110.2-164.6-16013.300098.1L113 S117 E118L113-D115 WeakPolarHBondContact O-CA 3.21Å; L113-D115 PolarHBondContact O-N 3.19Å; D115-S117 WeakPolarHBondContact CB-OG 3.46Å; D115-S117 PolarHBondContact O-N 3.24Å; D115-S117 WeakPolarHBondContact OD2-CB 3.29Å; D115-S117 PolarHBondContact OD2-OG 3.36Å; D115-E118 PolarHBondContact O-N 2.93Å
116E42.6Very low57.3Low157 Ų157106.8 Ų106.873%0.73455%0.549SS*.THydrogen-bonded Turntrans-57.311.3160.6-67-174.1162.200108.6V114 E118 E119 E120V114-E116 VanDerWaalsContact C-N 3.26Å; V114-E116 PolarHBondContact O-N 3.05Å; E116-E118 PolarHBondContact O-N 3.25Å; E116-E119 WeakPolarHBondContact O-CA 3.27Å; E116-E119 WeakPolarHBondContact O-CB 3.42Å; E116-E119 PolarHBondContact O-N 3.35Å; E116-E120 PolarHBondContact O-N 3.21Å
117S43.9Very low55.3Low22 Ų22104.8 Ų104.815%0.15454%0.535CS..Hα-helixtrans-55.1-8.6156.479.50000118.7D115 E119 E120 R121D115-S117 WeakPolarHBondContact CB-OG 3.46Å; D115-S117 PolarHBondContact O-N 3.24Å; D115-S117 WeakPolarHBondContact OD2-CB 3.29Å; D115-S117 PolarHBondContact OD2-OG 3.36Å; S117-E119 PolarHBondContact O-N 3.34Å; S117-E120 VanDerWaalsContact CA-CB 3.47Å; S117-E120 VanDerWaalsContact CB-OE2 3.3Å; S117-E120 WeakPolarHBondContact CB-OE2 3.25Å; S117-E120 PolarHBondContact O-N 3.16Å; S117-R121 PolarHBondContact O-N 3.03Å
118E40.8Very low53.3Low143 Ų143107.4 Ų107.467%0.66855%0.553SS**Hα-helixtrans-66.6-20.7156.4-71-87.5123.100111.2D115 E116 R121D115-E118 PolarHBondContact O-N 2.93Å; E116-E118 PolarHBondContact O-N 3.25Å; E118-R121 IonicContact OE1-CZ 2.73Å; E118-R121 IonicContact OE1-NH2 3.1Å; E118-R121 PolarHBondContact OE1-NH2 2.79Å
119E45.4Very low52Low130 Ų130105.1 Ų105.161%0.60756%0.556SS**Hα-helixtrans-85.6-35.3159.6-100.4-179179.900113.3E116 S117 R121 F122E116-E119 WeakPolarHBondContact O-CA 3.27Å; E116-E119 WeakPolarHBondContact O-CB 3.42Å; E116-E119 PolarHBondContact O-N 3.35Å; S117-E119 PolarHBondContact O-N 3.34Å; E119-R121 VanDerWaalsContact C-N 3.32Å; E119-R121 PolarHBondContact O-N 3.1Å; E119-F122 PolarHBondContact O-N 2.8Å; E119-F122 VanDerWaalsContact O-N 3.09Å
120E47.4Very low51.3Low112 Ų112105 Ų10552%0.52356%0.555SS.*Hα-helixtrans-64.1-30.6178.5-61.3-178.7161.100113.8E116 S117 F122 D123E116-E120 PolarHBondContact O-N 3.21Å; S117-E120 VanDerWaalsContact CA-CB 3.47Å; S117-E120 VanDerWaalsContact CB-OE2 3.3Å; S117-E120 WeakPolarHBondContact CB-OE2 3.25Å; S117-E120 PolarHBondContact O-N 3.16Å; E120-F122 PolarHBondContact O-N 3.48Å; E120-F122 VanDerWaalsContact O-N 3.13Å; E120-D123 PolarHBondContact O-N 3.3Å
121R43.5Very low51Low189 Ų189113.1 Ų113.171%0.71359%0.593SS**Hα-helixtrans-67.7-10.1176.1-102.9-172.9-79.6158.93.8113.9S117 E118 E119S117-R121 PolarHBondContact O-N 3.03Å; E118-R121 IonicContact OE1-CZ 2.73Å; E118-R121 IonicContact OE1-NH2 3.1Å; E118-R121 PolarHBondContact OE1-NH2 2.79Å; E119-R121 VanDerWaalsContact C-N 3.32Å; E119-R121 PolarHBondContact O-N 3.1Å
122F44.4Very low51.3Low182 Ų182112.1 Ų112.180%0.79859%0.589SS**Hα-helixtrans-103.5-12174.5-87.9-83000115.1E119 E120E119-F122 PolarHBondContact O-N 2.8Å; E119-F122 VanDerWaalsContact O-N 3.09Å; E120-F122 PolarHBondContact O-N 3.48Å; E120-F122 VanDerWaalsContact O-N 3.13Å
123D44.7Very low52.7Low81 Ų81107.6 Ų107.643%0.43357%0.566SS.*Hα-helixtrans-105.5-4.8-174.8-108.7-9.9000115.5E120 M125 S127E120-D123 PolarHBondContact O-N 3.3Å; D123-M125 PolarHBondContact O-N 3.23Å; D123-S127 WeakPolarHBondContact OD1-CB 2.93Å; D123-S127 PolarHBondContact OD1-OG 3.17Å
124D41.5Very low54.4Low156 Ų156102.9 Ų102.983%0.83455%0.545SS*.THydrogen-bonded Turntrans-83.711.5175.5-153.424000114.1
125M41.3Very low56.5Low161 Ų16197.7 Ų97.779%0.79351%0.514SS*.THydrogen-bonded Turntrans-124.478.6174.1-161.177.994.500110D123 S127D123-M125 PolarHBondContact O-N 3.23Å; M125-S127 PolarHBondContact O-N 3.21Å
126S45.9Very low58.9Low109 Ų10998.2 Ų98.276%0.76251%0.514SS*.THydrogen-bonded Turntrans55.951.1166.257.20000115.2P128S126-P128 WeakPolarHBondContact O-CD 3.35Å
127S43.9Very low61.1Low51 Ų5193.8 Ų93.836%0.35750%0.495SS..PPolyproline II helixtrans-57.6118.2166.3-156.60000108.4D123 M125D123-S127 WeakPolarHBondContact OD1-CB 2.93Å; D123-S127 PolarHBondContact OD1-OG 3.17Å; M125-S127 PolarHBondContact O-N 3.21Å
128P48.2Very low63.3Low103 Ų10397.8 Ų97.867%0.66952%0.523SS*.PPolyproline II helixtrans-53.7151-179-20.931000110.2S126 L130S126-P128 WeakPolarHBondContact O-CD 3.35Å; P128-L130 PolarHBondContact O-N 3.42Å
129G60.8Low65.8Low63 Ų6395.4 Ų95.465%0.64951%0.508SS*.PPolyproline II helixtrans-47.2138172.600000110E131G129-E131 PolarHBondContact O-N 3.18Å
130L75.3Confident68.1Low41 Ų4189.3 Ų89.322%0.21548%0.479CS..  trans-61104.4176.2-174.3139.7000107.3P128 L132 L146 K159 L160P128-L130 PolarHBondContact O-N 3.42Å; L130-L132 HydrophobicContact CD2-CD2 3.92Å; L130-L146 HydrophobicContact CD1-CD1 4.39Å; L130-L146 HydrophobicContact CD2-CD1 4.45Å; L130-L146 HydrophobicContact CD2-CD2 4.26Å; L130-K159 HydrophobicContact CB-CB 4.28Å; L130-L160 HydrophobicContact CD2-CB 4.4Å; L130-L160 HydrophobicContact CD2-CD1 3.88Å
131E82.2Confident70.3Confident172 Ų17289.4 Ų89.480%0.80448%0.48SS*.PPolyproline II helixtrans-78120.8179.3-72.7-175.5174.800108.6G129G129-E131 PolarHBondContact O-N 3.18Å
132L86.4Confident72.8Confident21 Ų2185 Ų8511%0.1147%0.467CS..PPolyproline II helixtrans-72.1137.7175.5-65.2175.8000109.6L130 L146 L160 A163 L164 E167 Y169L130-L132 HydrophobicContact CD2-CD2 3.92Å; L132-L146 HydrophobicContact CD2-CD2 4.13Å; L132-L160 HydrophobicContact CD2-CD1 3.66Å; L132-A163 HydrophobicContact CD1-CB 3.9Å; L132-A163 HydrophobicContact CD2-CB 4.21Å; L132-A163 HydrophobicContact CG-CB 3.88Å; L132-L164 HydrophobicContact CD1-CD2 4.01Å; L132-L164 HydrophobicContact CD1-CG 4.44Å; L132-L164 HydrophobicContact CD2-CD2 4.3Å; L132-E167 HydrophobicContact CD1-CB 4.39Å; L132-E167 HydrophobicContact CD1-CG 4.39Å; L132-Y169 HydrophobicContact CB-CD2 4.24Å; L132-Y169 HydrophobicContact CB-CE2 3.95Å; L132-Y169 HydrophobicContact CD1-CD2 3.62Å; L132-Y169 HydrophobicContact CD1-CE2 4.15Å; L132-Y169 HydrophobicContact CD1-CG 3.86Å
133P89Confident75.1Confident13 Ų1376.5 Ų76.58%0.08443%0.43CS..PPolyproline II helixtrans-53.7154.7167.9-23.732.8000110.7C135 E142 I143 L146 Y169P133-C135 PolarHBondContact O-N 3.15Å; P133-E142 HydrophobicContact CG-CG 4.08Å; P133-I143 HydrophobicContact CB-CG1 3.98Å; P133-I143 HydrophobicContact CG-CG1 4.15Å; P133-L146 VanDerWaalsContact CD-CD2 3.46Å; P133-L146 HydrophobicContact CG-CD2 4.09Å; P133-Y169 WeakPolarHBondContact O-CE2 3.41Å; P133-Y169 PolarHBondContact O-OH 3.26Å
134S88.5Confident77.5Confident40 Ų4072.9 Ų72.928%0.2841%0.412SS..PPolyproline II helixtrans-62.5133.6172.755.90000110E136 R139S134-E136 VanDerWaalsContact CB-OE1 3.32Å; S134-E136 WeakPolarHBondContact CB-OE1 3.43Å; S134-E136 PolarHBondContact O-N 3.36Å; S134-E136 PolarHBondContact OG-OE1 3.29Å; S134-R139 VanDerWaalsContact OG-CZ 3.24Å; S134-R139 PolarHBondContact OG-NE 2.83Å
135C90.3Very high80Confident28 Ų2871.3 Ų71.319%0.18940%0.399CS..  trans-72.279.8-179.8-167.40000110.1P133 Y169 K172 L176P133-C135 PolarHBondContact O-N 3.15Å; C135-Y169 WeakPolarHBondContact CA-OH 3.4Å; C135-Y169 HydrophobicContact CB-CD2 4.48Å; C135-Y169 HydrophobicContact CB-CE1 4.44Å; C135-Y169 HydrophobicContact CB-CE2 3.74Å; C135-K172 HydrophobicContact CB-CB 3.93Å; C135-K172 HydrophobicContact CB-CD 4.29Å; C135-K172 VanDerWaalsContact SG-C 3.5Å; C135-K172 VanDerWaalsContact SG-CB 3.55Å; C135-L176 VanDerWaalsContact SG-CD1 3.55Å
136E91.7Very high82.5Confident89 Ų8965.5 Ų65.542%0.41637%0.371SS..  trans-129147.5-177.3-69.1169.4-151.500110.5S134 S138 R139S134-E136 VanDerWaalsContact CB-OE1 3.32Å; S134-E136 WeakPolarHBondContact CB-OE1 3.43Å; S134-E136 PolarHBondContact O-N 3.36Å; S134-E136 PolarHBondContact OG-OE1 3.29Å; E136-S138 PolarHBondContact O-N 3.29Å; E136-S138 VanDerWaalsContact O-N 3.14Å; E136-R139 PolarHBondContact O-N 3.48Å
137L88.1Confident84.8Confident64 Ų6460.4 Ų60.434%0.33534%0.336SS..G310 helixtrans-52.4-39.1-178.7-175.465.7000113.3R139 L140 C180L137-R139 PolarHBondContact O-N 3.03Å; L137-L140 HydrophobicContact CD1-CD1 3.81Å; L137-C180 WeakPolarHBondContact CD1-SG 3.38Å
138S90.8Very high87.1Confident106 Ų10660.8 Ų60.874%0.74134%0.342SS*.G310 helixtrans-73.9-6.8-178.6560000114.7E136E136-S138 PolarHBondContact O-N 3.29Å; E136-S138 VanDerWaalsContact O-N 3.14Å
139R92.4Very high89.2Confident92 Ų9259 Ų5935%0.34733%0.331SS..G310 helixtrans-115.17.5-178.5-59.8-167.2-171.6-158.39.6113.3S134 E136 L137 E141 E142 I143S134-R139 VanDerWaalsContact OG-CZ 3.24Å; S134-R139 PolarHBondContact OG-NE 2.83Å; E136-R139 PolarHBondContact O-N 3.48Å; L137-R139 PolarHBondContact O-N 3.03Å; R139-E141 VanDerWaalsContact C-N 3.25Å; R139-E141 PolarHBondContact O-N 3.47Å; R139-E142 WeakPolarHBondContact O-CB 3.26Å; R139-E142 PolarHBondContact O-N 3.4Å; R139-E142 VanDerWaalsContact O-N 3.11Å; R139-I143 HydrophobicContact CB-CD1 4.4Å; R139-I143 WeakPolarHBondContact O-CD1 3.46Å; R139-I143 VanDerWaalsContact O-CG1 3.28Å; R139-I143 WeakPolarHBondContact O-CG1 3.49Å; R139-I143 PolarHBondContact O-N 2.81Å
140L93.3Very high90.6Very high2 Ų256 Ų561%0.0130%0.301CS..Hα-helixtrans-57.6-38.5-179.4-73.5177.9000112.5L137 I143 A144 L173 L176 H191 L192 I195L137-L140 HydrophobicContact CD1-CD1 3.81Å; L140-I143 HydrophobicContact CD2-CD1 4.39Å; L140-I143 PolarHBondContact O-N 3.46Å; L140-A144 WeakPolarHBondContact O-CB 3.15Å; L140-A144 PolarHBondContact O-N 2.87Å; L140-L173 HydrophobicContact CD2-CD2 4.35Å; L140-L176 HydrophobicContact CD2-CD1 4.01Å; L140-H191 HydrophobicContact CB-CB 3.84Å; L140-L192 HydrophobicContact CD1-CD1 4.42Å; L140-L192 HydrophobicContact CD1-CG 4.16Å; L140-L192 HydrophobicContact CD2-CD2 3.82Å; L140-L192 HydrophobicContact CD2-CG 4.2Å; L140-I195 HydrophobicContact CD2-CD1 4.05Å
141E94.5Very high91.3Very high115 Ų11555.8 Ų55.854%0.53730%0.3SS..Hα-helixtrans-60.6-48.2174.1-172.4179.1-162.500111.7R139 I143 A144 E145R139-E141 VanDerWaalsContact C-N 3.25Å; R139-E141 PolarHBondContact O-N 3.47Å; E141-I143 VanDerWaalsContact C-N 3.3Å; E141-I143 PolarHBondContact O-N 3.49Å; E141-A144 PolarHBondContact O-N 2.98Å; E141-E145 WeakPolarHBondContact O-CG 3.42Å; E141-E145 PolarHBondContact O-N 3.2Å
142E94.7Very high91.5Very high95 Ų9552.9 Ų52.944%0.44430%0.296SS..Hα-helixtrans-59.8-39.4176.9-175.6-174.9-178.300111.8P133 R139 L146P133-E142 HydrophobicContact CG-CG 4.08Å; R139-E142 WeakPolarHBondContact O-CB 3.26Å; R139-E142 PolarHBondContact O-N 3.4Å; R139-E142 VanDerWaalsContact O-N 3.11Å; E142-L146 WeakPolarHBondContact O-CB 3.29Å; E142-L146 PolarHBondContact O-N 3.14Å
143I94.6Very high91.6Very high4 Ų453.7 Ų53.72%0.02130%0.303CS..Hα-helixtrans-68.9-43177.5-61.2158.4000110.4P133 R139 L140 E141 L146 V147 Y169 I195P133-I143 HydrophobicContact CB-CG1 3.98Å; P133-I143 HydrophobicContact CG-CG1 4.15Å; R139-I143 HydrophobicContact CB-CD1 4.4Å; R139-I143 WeakPolarHBondContact O-CD1 3.46Å; R139-I143 VanDerWaalsContact O-CG1 3.28Å; R139-I143 WeakPolarHBondContact O-CG1 3.49Å; R139-I143 PolarHBondContact O-N 2.81Å; L140-I143 HydrophobicContact CD2-CD1 4.39Å; L140-I143 PolarHBondContact O-N 3.46Å; E141-I143 VanDerWaalsContact C-N 3.3Å; E141-I143 PolarHBondContact O-N 3.49Å; I143-L146 PolarHBondContact O-N 3.09Å; I143-V147 WeakPolarHBondContact O-CG2 3.44Å; I143-V147 PolarHBondContact O-N 3.03Å; I143-Y169 WeakPolarHBondContact CD1-OH 3.33Å; I143-Y169 WeakPolarHBondContact CG1-OH 3.3Å; I143-Y169 HydrophobicContact CG2-CE1 4.16Å; I143-I195 HydrophobicContact CB-CD1 3.88Å; I143-I195 HydrophobicContact CB-CG1 4.47Å; I143-I195 HydrophobicContact CG2-CD1 3.63Å; I143-I195 HydrophobicContact CG2-CG1 3.95Å; I143-I195 HydrophobicContact CG2-CG2 4.26Å
144A94.1Very high91.5Very high6 Ų657.2 Ų57.25%0.0533%0.326CS..Hα-helixtrans-61.4-45.4177.300000111.4L140 E141 L146 V147 A148 H191 E194 I195L140-A144 WeakPolarHBondContact O-CB 3.15Å; L140-A144 PolarHBondContact O-N 2.87Å; E141-A144 PolarHBondContact O-N 2.98Å; A144-L146 PolarHBondContact O-N 3.46Å; A144-V147 PolarHBondContact O-N 3.15Å; A144-A148 WeakPolarHBondContact O-CB 3.26Å; A144-A148 PolarHBondContact O-N 3.42Å; A144-H191 HydrophobicContact CB-CB 4.45Å; A144-E194 HydrophobicContact CB-CB 4.48Å; A144-I195 HydrophobicContact CB-CD1 4.32Å; A144-I195 HydrophobicContact CB-CG1 3.87Å
145E94.5Very high91.5Very high123 Ų12360.6 Ų60.658%0.57534%0.341SS*.Hα-helixtrans-62-41.3175.2-72.2-173.8166.400112.4E141 A148 S149E141-E145 WeakPolarHBondContact O-CG 3.42Å; E141-E145 PolarHBondContact O-N 3.2Å; E145-A148 PolarHBondContact O-N 3.23Å; E145-S149 WeakPolarHBondContact O-CB 3.39Å; E145-S149 PolarHBondContact O-N 3.45Å; E145-S149 PolarHBondContact O-OG 3.39Å
146L94.1Very high91.5Very high38 Ų3864.1 Ų64.120%0.19935%0.35CS..Hα-helixtrans-61.9-45.2176.4176.664.2000111.7L130 L132 P133 E142 I143 A144 S149 S150L130-L146 HydrophobicContact CD1-CD1 4.39Å; L130-L146 HydrophobicContact CD2-CD1 4.45Å; L130-L146 HydrophobicContact CD2-CD2 4.26Å; L132-L146 HydrophobicContact CD2-CD2 4.13Å; P133-L146 VanDerWaalsContact CD-CD2 3.46Å; P133-L146 HydrophobicContact CG-CD2 4.09Å; E142-L146 WeakPolarHBondContact O-CB 3.29Å; E142-L146 PolarHBondContact O-N 3.14Å; I143-L146 PolarHBondContact O-N 3.09Å; A144-L146 PolarHBondContact O-N 3.46Å; L146-S149 PolarHBondContact O-OG 3.49Å; L146-S150 VanDerWaalsContact O-CB 3.29Å; L146-S150 WeakPolarHBondContact O-CB 3.41Å; L146-S150 PolarHBondContact O-N 3.45Å; L146-S150 VanDerWaalsContact O-N 3.15Å; L146-S150 PolarHBondContact O-OG 3.04Å
147V93.4Very high91.4Very high3 Ų362.9 Ų62.92%0.01834%0.341CS..Hα-helixtrans-63.7-52.7177.31750000109.6I143 A144 S149 S150 L151 L160 I195I143-V147 WeakPolarHBondContact O-CG2 3.44Å; I143-V147 PolarHBondContact O-N 3.03Å; A144-V147 PolarHBondContact O-N 3.15Å; V147-S149 PolarHBondContact O-N 3.32Å; V147-S150 PolarHBondContact O-N 3.2Å; V147-S150 VanDerWaalsContact O-N 3.09Å; V147-L151 WeakPolarHBondContact O-CG 3.4Å; V147-L151 PolarHBondContact O-N 3.36Å; V147-L160 HydrophobicContact CB-CD2 4.44Å; V147-L160 HydrophobicContact CG1-CD2 4.49Å; V147-L160 HydrophobicContact CG2-CD2 4.22Å; V147-I195 HydrophobicContact CG2-CG2 4.4Å
148A91.7Very high91.5Very high59 Ų5964 Ų6449%0.48835%0.345SS..Hα-helixtrans-59.4-43.7-17800000112.9A144 E145 S150 L151 P152A144-A148 WeakPolarHBondContact O-CB 3.26Å; A144-A148 PolarHBondContact O-N 3.42Å; E145-A148 PolarHBondContact O-N 3.23Å; A148-S150 VanDerWaalsContact C-N 3.27Å; A148-S150 PolarHBondContact O-N 2.91Å; A148-L151 PolarHBondContact O-N 3.39Å; A148-P152 WeakPolarHBondContact O-CD 3.46Å
149S92.4Very high91.5Very high64 Ų6462.7 Ų62.745%0.44833%0.326SS..Hα-helixtrans-71.6-18.917863.10000113.8E145 L146 V147E145-S149 WeakPolarHBondContact O-CB 3.39Å; E145-S149 PolarHBondContact O-N 3.45Å; E145-S149 PolarHBondContact O-OG 3.39Å; L146-S149 PolarHBondContact O-OG 3.49Å; V147-S149 PolarHBondContact O-N 3.32Å
150S91.4Very high91.6Very high1 Ų158.3 Ų58.31%0.00731%0.309CS..Hα-helixtrans-85-24.5176.6-63.20000113.1L146 V147 A148 S153 R157L146-S150 VanDerWaalsContact O-CB 3.29Å; L146-S150 WeakPolarHBondContact O-CB 3.41Å; L146-S150 PolarHBondContact O-N 3.45Å; L146-S150 VanDerWaalsContact O-N 3.15Å; L146-S150 PolarHBondContact O-OG 3.04Å; V147-S150 PolarHBondContact O-N 3.2Å; V147-S150 VanDerWaalsContact O-N 3.09Å; A148-S150 VanDerWaalsContact C-N 3.27Å; A148-S150 PolarHBondContact O-N 2.91Å; S150-S153 PolarHBondContact O-N 3.16Å; S150-R157 VanDerWaalsContact O-CG 3.3Å; S150-R157 WeakPolarHBondContact O-CG 3.33Å
151L88.3Confident91.6Very high37 Ų3758.4 Ų58.419%0.19431%0.31CS..THydrogen-bonded Turntrans-59.8-41.8-176-68.5176.4000115V147 A148 S153 R157 G198 L201 L202V147-L151 WeakPolarHBondContact O-CG 3.4Å; V147-L151 PolarHBondContact O-N 3.36Å; A148-L151 PolarHBondContact O-N 3.39Å; L151-S153 VanDerWaalsContact C-N 3.27Å; L151-S153 PolarHBondContact O-N 3.15Å; L151-R157 WeakPolarHBondContact O-CD 3.44Å; L151-R157 WeakPolarHBondContact O-CG 3.36Å; L151-R157 PolarHBondContact O-NE 3.01Å; L151-G198 WeakPolarHBondContact CD2-O 3.27Å; L151-L201 HydrophobicContact CD1-CB 4.26Å; L151-L201 HydrophobicContact CD1-CD1 3.82Å; L151-L201 HydrophobicContact CD2-CB 3.74Å; L151-L202 HydrophobicContact CD2-CD2 3.89Å
152P87.5Confident91.6Very high111 Ų11156.9 Ų56.972%0.72131%0.305SS*.THydrogen-bonded Turntrans-66.4-27.9-179.2-2335000113.6A148 P154A148-P152 WeakPolarHBondContact O-CD 3.46Å; P152-P154 WeakPolarHBondContact O-CD 3.45Å
153S87.7Confident91.6Very high38 Ų3853 Ų5327%0.26629%0.29SS..  trans-96.5117.1-174.91730000111.6S150 L151 L155 R156 R157S150-S153 PolarHBondContact O-N 3.16Å; L151-S153 VanDerWaalsContact C-N 3.27Å; L151-S153 PolarHBondContact O-N 3.15Å; S153-L155 VanDerWaalsContact C-N 3.34Å; S153-L155 PolarHBondContact O-N 2.99Å; S153-R156 PolarHBondContact O-N 2.95Å; S153-R156 PolarHBondContact OG-N 3.18Å; S153-R157 WeakPolarHBondContact O-CG 3.18Å; S153-R157 PolarHBondContact O-N 3.33Å
154P87Confident91.6Very high87 Ų8753 Ų5357%0.56529%0.29SS*.Hα-helixtrans-56.5-42.3178-25.334.2000114P152 R157 E158P152-P154 WeakPolarHBondContact O-CD 3.45Å; P154-R157 PolarHBondContact O-N 3.21Å; P154-E158 PolarHBondContact O-N 2.93Å; P154-E158 VanDerWaalsContact O-N 3.11Å
155L88.7Confident91.6Very high111 Ų11157.4 Ų57.458%0.58131%0.309SS*.Hα-helixtrans-66.1-41.5178.8-71.8170.4000111.8S153 E158 K159S153-L155 VanDerWaalsContact C-N 3.34Å; S153-L155 PolarHBondContact O-N 2.99Å; L155-E158 PolarHBondContact O-N 3.15Å; L155-K159 WeakPolarHBondContact O-CG 3.37Å; L155-K159 PolarHBondContact O-N 3.01Å; L155-K159 VanDerWaalsContact O-N 3.07Å
156R90.2Very high91.5Very high101 Ų10158 Ų5838%0.38132%0.316SS..Hα-helixtrans-69.7-39.5176.8-67.8-169.2179.3171.95.8112S153 E158 K159 L160S153-R156 PolarHBondContact O-N 2.95Å; S153-R156 PolarHBondContact OG-N 3.18Å; R156-E158 VanDerWaalsContact C-N 3.27Å; R156-E158 PolarHBondContact O-N 3.26Å; R156-K159 PolarHBondContact O-N 3.36Å; R156-L160 VanDerWaalsContact O-CB 3.22Å; R156-L160 WeakPolarHBondContact O-CB 3.46Å; R156-L160 PolarHBondContact O-N 2.71Å
157R89.5Confident91.4Very high63 Ų6360.1 Ų60.124%0.23833%0.325CS..Hα-helixtrans-54.2-44.7172-75-168.7-68.1176.3-1.5111.8S150 L151 S153 P154 A161 L202S150-R157 VanDerWaalsContact O-CG 3.3Å; S150-R157 WeakPolarHBondContact O-CG 3.33Å; L151-R157 WeakPolarHBondContact O-CD 3.44Å; L151-R157 WeakPolarHBondContact O-CG 3.36Å; L151-R157 PolarHBondContact O-NE 3.01Å; S153-R157 WeakPolarHBondContact O-CG 3.18Å; S153-R157 PolarHBondContact O-N 3.33Å; P154-R157 PolarHBondContact O-N 3.21Å; R157-A161 VanDerWaalsContact O-CB 3.3Å; R157-A161 WeakPolarHBondContact O-CB 3.47Å; R157-A161 PolarHBondContact O-N 2.89Å; R157-L202 HydrophobicContact CB-CD2 3.98Å; R157-L202 HydrophobicContact CG-CD2 3.9Å
158E90Very high91.4Very high88 Ų8861.8 Ų61.841%0.41134%0.343SS..Hα-helixtrans-65-48.5178.2174.3154.6-120.400112.6P154 L155 R156 L160 A161 L162 R204P154-E158 PolarHBondContact O-N 2.93Å; P154-E158 VanDerWaalsContact O-N 3.11Å; L155-E158 PolarHBondContact O-N 3.15Å; R156-E158 VanDerWaalsContact C-N 3.27Å; R156-E158 PolarHBondContact O-N 3.26Å; E158-L160 PolarHBondContact O-N 3.04Å; E158-A161 PolarHBondContact O-N 3.44Å; E158-L162 HydrophobicContact CG-CD1 4.24Å; E158-L162 WeakPolarHBondContact O-CG 3.35Å; E158-L162 PolarHBondContact O-N 2.89Å; E158-R204 VanDerWaalsContact CD-NH2 3.25Å; E158-R204 IonicContact OE1-CZ 3.99Å; E158-R204 IonicContact OE1-NH2 2.66Å; E158-R204 PolarHBondContact OE1-NH2 2.87Å
159K92.5Very high91.6Very high78 Ų7859.1 Ų59.134%0.33932%0.321SS..Hα-helixtrans-61-44.1177-71.4-179.8-1791790112L130 L155 R156 L162 A163L130-K159 HydrophobicContact CB-CB 4.28Å; L155-K159 WeakPolarHBondContact O-CG 3.37Å; L155-K159 PolarHBondContact O-N 3.01Å; L155-K159 VanDerWaalsContact O-N 3.07Å; R156-K159 PolarHBondContact O-N 3.36Å; K159-L162 PolarHBondContact O-N 3.28Å; K159-A163 WeakPolarHBondContact O-CB 3.2Å; K159-A163 PolarHBondContact O-N 2.86Å
160L94.3Very high91.8Very high1 Ų156.2 Ų56.21%0.00530%0.3CS..Hα-helixtrans-62.2-47177.9176.560.2000111.2L130 L132 V147 R156 E158 L162 A163 L164 L202L130-L160 HydrophobicContact CD2-CB 4.4Å; L130-L160 HydrophobicContact CD2-CD1 3.88Å; L132-L160 HydrophobicContact CD2-CD1 3.66Å; V147-L160 HydrophobicContact CB-CD2 4.44Å; V147-L160 HydrophobicContact CG1-CD2 4.49Å; V147-L160 HydrophobicContact CG2-CD2 4.22Å; R156-L160 VanDerWaalsContact O-CB 3.22Å; R156-L160 WeakPolarHBondContact O-CB 3.46Å; R156-L160 PolarHBondContact O-N 2.71Å; E158-L160 PolarHBondContact O-N 3.04Å; L160-L162 PolarHBondContact O-N 3.35Å; L160-A163 PolarHBondContact O-N 3.27Å; L160-L164 HydrophobicContact CD1-CD1 4.09Å; L160-L164 HydrophobicContact CD1-CD2 4.46Å; L160-L164 HydrophobicContact CD1-CG 4.02Å; L160-L164 HydrophobicContact CG-CD1 3.97Å; L160-L164 HydrophobicContact CG-CG 4.36Å; L160-L164 VanDerWaalsContact O-CG 3.27Å; L160-L164 WeakPolarHBondContact O-CG 3.23Å; L160-L164 PolarHBondContact O-N 2.92Å; L160-L202 HydrophobicContact CD2-CD1 4.2Å; L160-L202 HydrophobicContact CD2-CD2 4.11Å; L160-L202 HydrophobicContact CG-CD1 4.15Å
161A93.3Very high92.1Very high3 Ų360.5 Ų60.53%0.02532%0.318CS..Hα-helixtrans-60.4-44.6178.600000112.7R157 E158 A163 L164 E165 L202 R204 L207R157-A161 VanDerWaalsContact O-CB 3.3Å; R157-A161 WeakPolarHBondContact O-CB 3.47Å; R157-A161 PolarHBondContact O-N 2.89Å; E158-A161 PolarHBondContact O-N 3.44Å; A161-A163 VanDerWaalsContact C-N 3.33Å; A161-A163 PolarHBondContact O-N 3.46Å; A161-L164 PolarHBondContact O-N 3.23Å; A161-E165 WeakPolarHBondContact O-CB 2.83Å; A161-E165 PolarHBondContact O-N 3.38Å; A161-L202 HydrophobicContact CB-CD1 4.26Å; A161-R204 HydrophobicContact CB-CB 4.49Å; A161-R204 HydrophobicContact CB-CG 3.64Å; A161-L207 HydrophobicContact CB-CD1 3.95Å
162L93.4Very high92.5Very high84 Ų8462.7 Ų62.744%0.4433%0.326SS..Hα-helixtrans-63.4-38.3175.8-71.3172.4000111.9E158 K159 L160 N166E158-L162 HydrophobicContact CG-CD1 4.24Å; E158-L162 WeakPolarHBondContact O-CG 3.35Å; E158-L162 PolarHBondContact O-N 2.89Å; K159-L162 PolarHBondContact O-N 3.28Å; L160-L162 PolarHBondContact O-N 3.35Å; L162-N166 VanDerWaalsContact O-CB 3.31Å; L162-N166 WeakPolarHBondContact O-CB 3.28Å; L162-N166 PolarHBondContact O-N 3.44Å; L162-N166 PolarHBondContact O-ND2 3.4Å
163A93.9Very high92.9Very high14 Ų1457.4 Ų57.412%0.11629%0.292CS..Hα-helixtrans-65.7-46176.900000111.5L132 K159 L160 A161 E165 N166 E167L132-A163 HydrophobicContact CD1-CB 3.9Å; L132-A163 HydrophobicContact CD2-CB 4.21Å; L132-A163 HydrophobicContact CG-CB 3.88Å; K159-A163 WeakPolarHBondContact O-CB 3.2Å; K159-A163 PolarHBondContact O-N 2.86Å; L160-A163 PolarHBondContact O-N 3.27Å; A161-A163 VanDerWaalsContact C-N 3.33Å; A161-A163 PolarHBondContact O-N 3.46Å; A163-E165 VanDerWaalsContact C-N 3.31Å; A163-E165 PolarHBondContact O-N 3.21Å; A163-N166 PolarHBondContact O-N 2.91Å; A163-E167 WeakPolarHBondContact O-CB 3.47Å; A163-E167 PolarHBondContact O-N 2.98Å; A163-E167 VanDerWaalsContact O-N 3.09Å
164L95.5Very high93.4Very high3 Ų355.8 Ų55.82%0.01628%0.281CS..Hα-helixtrans-60.1-41.5178.1-70.4170.7000111.9L132 L160 A161 G168 Y169 I199 L202 L207L132-L164 HydrophobicContact CD1-CD2 4.01Å; L132-L164 HydrophobicContact CD1-CG 4.44Å; L132-L164 HydrophobicContact CD2-CD2 4.3Å; L160-L164 HydrophobicContact CD1-CD1 4.09Å; L160-L164 HydrophobicContact CD1-CD2 4.46Å; L160-L164 HydrophobicContact CD1-CG 4.02Å; L160-L164 HydrophobicContact CG-CD1 3.97Å; L160-L164 HydrophobicContact CG-CG 4.36Å; L160-L164 VanDerWaalsContact O-CG 3.27Å; L160-L164 WeakPolarHBondContact O-CG 3.23Å; L160-L164 PolarHBondContact O-N 2.92Å; A161-L164 PolarHBondContact O-N 3.23Å; L164-G168 PolarHBondContact O-N 3.32Å; L164-Y169 HydrophobicContact CD2-CD1 3.53Å; L164-Y169 HydrophobicContact CD2-CE1 4.36Å; L164-Y169 HydrophobicContact CD2-CG 3.86Å; L164-Y169 PolarHBondContact O-N 2.87Å; L164-I199 HydrophobicContact CD1-CD1 4.28Å; L164-I199 HydrophobicContact CD1-CG1 3.9Å; L164-L202 HydrophobicContact CD1-CD1 3.55Å; L164-L207 HydrophobicContact CB-CD2 4.02Å; L164-L207 HydrophobicContact CD1-CD1 4.39Å
165E93.4Very high93.8Very high98 Ų9858 Ų5846%0.45828%0.283SS..Hα-helixtrans-65.1-54.4176.6-176.2-177.4175.900111.5A161 A163 E167 G168 A206 L207A161-E165 WeakPolarHBondContact O-CB 2.83Å; A161-E165 PolarHBondContact O-N 3.38Å; A163-E165 VanDerWaalsContact C-N 3.31Å; A163-E165 PolarHBondContact O-N 3.21Å; E165-E167 VanDerWaalsContact C-N 3.28Å; E165-E167 PolarHBondContact O-N 3.13Å; E165-G168 PolarHBondContact O-N 3.47Å; E165-G168 VanDerWaalsContact O-N 3.14Å; E165-A206 HydrophobicContact CG-CB 4.23Å; E165-A206 WeakPolarHBondContact OE1-CB 3.46Å; E165-L207 HydrophobicContact CB-CD2 4.12Å
166N92.7Very high94.2Very high135 Ų13554 Ų5472%0.72226%0.262SS*.Hα-helixtrans-61.9-33.5-175.4-76-42.3000113.3L162 A163L162-N166 VanDerWaalsContact O-CB 3.31Å; L162-N166 WeakPolarHBondContact O-CB 3.28Å; L162-N166 PolarHBondContact O-N 3.44Å; L162-N166 PolarHBondContact O-ND2 3.4Å; A163-N166 PolarHBondContact O-N 2.91Å
167E92.9Very high94.5Very high83 Ų8349.1 Ų49.139%0.38824%0.244SC..THydrogen-bonded Turntrans-88.2-5-179.3-69.2-166.6-156.100114.3L132 A163 E165 Y169 K172L132-E167 HydrophobicContact CD1-CB 4.39Å; L132-E167 HydrophobicContact CD1-CG 4.39Å; A163-E167 WeakPolarHBondContact O-CB 3.47Å; A163-E167 PolarHBondContact O-N 2.98Å; A163-E167 VanDerWaalsContact O-N 3.09Å; E165-E167 VanDerWaalsContact C-N 3.28Å; E165-E167 PolarHBondContact O-N 3.13Å; E167-Y169 HydrophobicContact CB-CD2 4.5Å; E167-Y169 PolarHBondContact O-N 3.22Å; E167-K172 VanDerWaalsContact O-CE 3.3Å; E167-K172 WeakPolarHBondContact O-CE 3.37Å; E167-K172 PolarHBondContact O-NZ 2.99Å
168G93.5Very high94.8Very high39 Ų3949.7 Ų49.740%0.40225%0.249SC..THydrogen-bonded Turntrans58.136.2-171.100000111.9L164 E165 I170 K171L164-G168 PolarHBondContact O-N 3.32Å; E165-G168 PolarHBondContact O-N 3.47Å; E165-G168 VanDerWaalsContact O-N 3.14Å; G168-I170 VanDerWaalsContact C-N 3.33Å; G168-I170 PolarHBondContact O-N 3.06Å; G168-K171 PolarHBondContact O-N 3.39Å
169Y96Very high95.1Very high3 Ų348.6 Ų48.61%0.01225%0.248CC..Hα-helixtrans-67.5-32.7-163.7-159.6-94.7000112.8L132 P133 C135 I143 L164 E167 K171 K172 L173L132-Y169 HydrophobicContact CB-CD2 4.24Å; L132-Y169 HydrophobicContact CB-CE2 3.95Å; L132-Y169 HydrophobicContact CD1-CD2 3.62Å; L132-Y169 HydrophobicContact CD1-CE2 4.15Å; L132-Y169 HydrophobicContact CD1-CG 3.86Å; P133-Y169 WeakPolarHBondContact O-CE2 3.41Å; P133-Y169 PolarHBondContact O-OH 3.26Å; C135-Y169 WeakPolarHBondContact CA-OH 3.4Å; C135-Y169 HydrophobicContact CB-CD2 4.48Å; C135-Y169 HydrophobicContact CB-CE1 4.44Å; C135-Y169 HydrophobicContact CB-CE2 3.74Å; I143-Y169 WeakPolarHBondContact CD1-OH 3.33Å; I143-Y169 WeakPolarHBondContact CG1-OH 3.3Å; I143-Y169 HydrophobicContact CG2-CE1 4.16Å; L164-Y169 HydrophobicContact CD2-CD1 3.53Å; L164-Y169 HydrophobicContact CD2-CE1 4.36Å; L164-Y169 HydrophobicContact CD2-CG 3.86Å; L164-Y169 PolarHBondContact O-N 2.87Å; E167-Y169 HydrophobicContact CB-CD2 4.5Å; E167-Y169 PolarHBondContact O-N 3.22Å; Y169-K171 PolarHBondContact O-N 3.29Å; Y169-K172 WeakPolarHBondContact O-CB 3.25Å; Y169-K172 PolarHBondContact O-N 3.06Å; Y169-L173 HydrophobicContact CD1-CD1 3.59Å; Y169-L173 HydrophobicContact CD1-CD2 4.36Å; Y169-L173 HydrophobicContact CD1-CG 3.75Å; Y169-L173 HydrophobicContact CE1-CD1 3.8Å; Y169-L173 HydrophobicContact CE1-CD2 3.81Å; Y169-L173 HydrophobicContact CE1-CG 3.72Å; Y169-L173 PolarHBondContact O-N 3.17Å
170I96.3Very high95.3Very high3 Ų344.9 Ų44.92%0.01523%0.232CC..Hα-helixtrans-56.4-47.6178.2-66.3162.2000111.3G168 K172 L173 L174 I199 L207 V210 M211G168-I170 VanDerWaalsContact C-N 3.33Å; G168-I170 PolarHBondContact O-N 3.06Å; I170-K172 VanDerWaalsContact C-N 3.28Å; I170-K172 PolarHBondContact O-N 3.44Å; I170-L173 WeakPolarHBondContact O-CB 3.49Å; I170-L173 PolarHBondContact O-N 2.93Å; I170-L173 VanDerWaalsContact O-N 3.13Å; I170-L174 HydrophobicContact CG2-CD1 4.21Å; I170-L174 HydrophobicContact CG2-CG 4.46Å; I170-L174 WeakPolarHBondContact O-CG 3.49Å; I170-L174 PolarHBondContact O-N 3.37Å; I170-I199 HydrophobicContact CD1-CG2 4.38Å; I170-I199 HydrophobicContact CG1-CD1 4.27Å; I170-L207 HydrophobicContact CD1-CB 4.15Å; I170-L207 HydrophobicContact CD1-CD2 3.89Å; I170-V210 HydrophobicContact CB-CG1 4.06Å; I170-V210 HydrophobicContact CD1-CB 4.2Å; I170-V210 HydrophobicContact CD1-CG1 4.21Å; I170-V210 HydrophobicContact CG2-CG1 4.05Å; I170-M211 HydrophobicContact CD1-CG 3.91Å; I170-M211 HydrophobicContact CG2-CG 3.99Å
171K97Very high95.3Very high90 Ų9047.3 Ų47.339%0.39124%0.243SC..Hα-helixtrans-62.2-37.1-179.3-66.9-162.5176.7-160.70112G168 Y169 L174 E175 V210 E215G168-K171 PolarHBondContact O-N 3.39Å; Y169-K171 PolarHBondContact O-N 3.29Å; K171-L174 PolarHBondContact O-N 3.07Å; K171-E175 WeakPolarHBondContact O-CG 3.47Å; K171-E175 PolarHBondContact O-N 3.43Å; K171-V210 HydrophobicContact CG-CG1 4.38Å; K171-E215 IonicContact NZ-OE2 2.79Å; K171-E215 PolarHBondContact NZ-OE2 3.24Å
172K96.8Very high95.4Very high83 Ų8353.9 Ų53.936%0.36128%0.278SS..Hα-helixtrans-66.8-38.1176-56.1176.5-166.7161.10112C135 E167 Y169 I170 L174 E175 L176C135-K172 HydrophobicContact CB-CB 3.93Å; C135-K172 HydrophobicContact CB-CD 4.29Å; C135-K172 VanDerWaalsContact SG-C 3.5Å; C135-K172 VanDerWaalsContact SG-CB 3.55Å; E167-K172 VanDerWaalsContact O-CE 3.3Å; E167-K172 WeakPolarHBondContact O-CE 3.37Å; E167-K172 PolarHBondContact O-NZ 2.99Å; Y169-K172 WeakPolarHBondContact O-CB 3.25Å; Y169-K172 PolarHBondContact O-N 3.06Å; I170-K172 VanDerWaalsContact C-N 3.28Å; I170-K172 PolarHBondContact O-N 3.44Å; K172-L174 VanDerWaalsContact C-N 3.33Å; K172-E175 PolarHBondContact O-N 3.5Å; K172-L176 PolarHBondContact O-N 3.01Å; K172-L176 VanDerWaalsContact O-N 3.13Å
173L97.1Very high95.4Very high0 Ų055.3 Ų55.30%029%0.286CS..Hα-helixtrans-63.4-40.2173.9-72.7169.4000111.4L140 Y169 I170 L176 F177 L192 I195 I199L140-L173 HydrophobicContact CD2-CD2 4.35Å; Y169-L173 HydrophobicContact CD1-CD1 3.59Å; Y169-L173 HydrophobicContact CD1-CD2 4.36Å; Y169-L173 HydrophobicContact CD1-CG 3.75Å; Y169-L173 HydrophobicContact CE1-CD1 3.8Å; Y169-L173 HydrophobicContact CE1-CD2 3.81Å; Y169-L173 HydrophobicContact CE1-CG 3.72Å; Y169-L173 PolarHBondContact O-N 3.17Å; I170-L173 WeakPolarHBondContact O-CB 3.49Å; I170-L173 PolarHBondContact O-N 2.93Å; I170-L173 VanDerWaalsContact O-N 3.13Å; L173-L176 WeakPolarHBondContact O-CB 3.37Å; L173-L176 PolarHBondContact O-N 2.9Å; L173-F177 PolarHBondContact O-N 3.35Å; L173-L192 HydrophobicContact CB-CD2 4.42Å; L173-L192 HydrophobicContact CD2-CD2 4.17Å; L173-I195 HydrophobicContact CD1-CG2 3.59Å; L173-I195 HydrophobicContact CD2-CD1 4.39Å; L173-I195 HydrophobicContact CD2-CG2 4.32Å; L173-I199 HydrophobicContact CD1-CD1 3.94Å
174L97.3Very high95.3Very high5 Ų562.3 Ų62.33%0.02632%0.316CS..Hα-helixtrans-68.7-34.1176.8-60.5177.2000112.2I170 K171 K172 L176 F177 H178 I196 C216 D219 V220I170-L174 HydrophobicContact CG2-CD1 4.21Å; I170-L174 HydrophobicContact CG2-CG 4.46Å; I170-L174 WeakPolarHBondContact O-CG 3.49Å; I170-L174 PolarHBondContact O-N 3.37Å; K171-L174 PolarHBondContact O-N 3.07Å; K172-L174 VanDerWaalsContact C-N 3.33Å; L174-L176 VanDerWaalsContact C-N 3.31Å; L174-L176 PolarHBondContact O-N 3.11Å; L174-F177 WeakPolarHBondContact O-CB 3.15Å; L174-F177 PolarHBondContact O-N 3.45Å; L174-H178 PolarHBondContact O-CD2 3.12Å; L174-H178 PolarHBondContact O-N 2.87Å; L174-I196 HydrophobicContact CD2-CD1 4.45Å; L174-C216 HydrophobicContact CD1-CB 3.58Å; L174-D219 HydrophobicContact CB-CB 4.3Å; L174-D219 HydrophobicContact CD1-CB 4.17Å; L174-D219 HydrophobicContact CD2-CB 3.87Å; L174-D219 HydrophobicContact CG-CB 4.31Å; L174-V220 HydrophobicContact CD1-CG2 4.09Å; L174-V220 HydrophobicContact CD2-CG2 4.03Å
175E96.4Very high95.2Very high133 Ų13364.5 Ų64.562%0.62133%0.328SS*.Hα-helixtrans-60.5-40.2169.4-71.7174-173.100111.9K171 K172 V179K171-E175 WeakPolarHBondContact O-CG 3.47Å; K171-E175 PolarHBondContact O-N 3.43Å; K172-E175 PolarHBondContact O-N 3.5Å; E175-V179 PolarHBondContact O-N 3.02Å
176L95.7Very high95.2Very high26 Ų2664 Ų6414%0.13633%0.327CS..Hα-helixtrans-68.3-33.7173.3-68.3-177.8000112.6C135 L140 K172 L173 L174 V179 C180C135-L176 VanDerWaalsContact SG-CD1 3.55Å; L140-L176 HydrophobicContact CD2-CD1 4.01Å; K172-L176 PolarHBondContact O-N 3.01Å; K172-L176 VanDerWaalsContact O-N 3.13Å; L173-L176 WeakPolarHBondContact O-CB 3.37Å; L173-L176 PolarHBondContact O-N 2.9Å; L174-L176 VanDerWaalsContact C-N 3.31Å; L174-L176 PolarHBondContact O-N 3.11Å; L176-V179 PolarHBondContact O-N 3.3Å; L176-C180 WeakPolarHBondContact O-CB 3.24Å; L176-C180 PolarHBondContact O-N 2.9Å; L176-C180 PolarHBondContact O-SG 3.42Å; L176-C180 VanDerWaalsContact O-SG 3.34Å
177F97.2Very high95.3Very high0 Ų063.9 Ų63.90%032%0.322CS..Hα-helixtrans-57-48.9174.5168.3-102.9000111.5L173 L174 V179 C180 E181 L189 L192 D219 G222 C223 Y226L173-F177 PolarHBondContact O-N 3.35Å; L174-F177 WeakPolarHBondContact O-CB 3.15Å; L174-F177 PolarHBondContact O-N 3.45Å; F177-V179 VanDerWaalsContact C-N 3.28Å; F177-V179 PolarHBondContact O-N 3.2Å; F177-C180 PolarHBondContact O-N 3.48Å; F177-C180 VanDerWaalsContact O-N 3.14Å; F177-E181 WeakPolarHBondContact CE1-OE2 3.19Å; F177-E181 WeakPolarHBondContact O-CB 3.31Å; F177-E181 PolarHBondContact O-N 3.45Å; F177-L189 HydrophobicContact CD2-CD2 3.65Å; F177-L189 HydrophobicContact CE2-CD2 3.66Å; F177-L192 HydrophobicContact CB-CD1 3.89Å; F177-L192 HydrophobicContact CD2-CD1 4.24Å; F177-D219 HydrophobicContact CD1-CB 4.31Å; F177-G222 VanDerWaalsContact CZ-C 3.46Å; F177-C223 HydrophobicContact CD2-CB 4.36Å; F177-C223 WeakPolarHBondContact CD2-SG 3.3Å; F177-C223 WeakPolarHBondContact CG-SG 3.4Å; F177-Y226 HydrophobicContact CE2-CD2 4.23Å; F177-Y226 AromaticContact CE2-CE2 3.91Å; F177-Y226 HydrophobicContact CE2-CE2 3.91Å; F177-Y226 HydrophobicContact CZ-CE2 4.37Å
178H95.9Very high95.4Very high74 Ų7460.1 Ų60.134%0.34331%0.306SS..Hα-helixtrans-56.1-42.9175.5-68.7-59.5000112.2L174 E181 D182 D219L174-H178 PolarHBondContact O-CD2 3.12Å; L174-H178 PolarHBondContact O-N 2.87Å; H178-E181 PolarHBondContact O-N 3.44Å; H178-D182 WeakPolarHBondContact O-CB 3.36Å; H178-D182 PolarHBondContact O-N 2.97Å; H178-D219 IonicContact CD2-OD2 2.91Å; H178-D219 IonicContact CE1-OD1 2.73Å; H178-D219 PolarHBondContact CE1-OD1 3.35Å; H178-D219 IonicContact CE1-OD2 2.64Å; H178-D219 PolarHBondContact CE1-OD2 3.19Å; H178-D219 VanDerWaalsContact NE2-CG 3.25Å; H178-D219 IonicContact NE2-OD1 3.71Å; H178-D219 IonicContact NE2-OD2 3.89Å; H178-D219 PolarHBondContact NE2-OD2 3.5Å
179V96.1Very high95.5Very high66 Ų6658.3 Ų58.340%0.429%0.287SS..Hα-helixtrans-66.4-42.4177.3177.20000111.9E175 L176 F177 E181 L183E175-V179 PolarHBondContact O-N 3.02Å; L176-V179 PolarHBondContact O-N 3.3Å; F177-V179 VanDerWaalsContact C-N 3.28Å; F177-V179 PolarHBondContact O-N 3.2Å; V179-E181 VanDerWaalsContact C-N 3.35Å; V179-L183 HydrophobicContact CG1-CD1 3.85Å; V179-L183 HydrophobicContact CG1-CG 4.47Å; V179-L183 WeakPolarHBondContact O-CB 3.14Å; V179-L183 WeakPolarHBondContact O-CG 3.31Å; V179-L183 PolarHBondContact O-N 2.56Å; V179-L183 VanDerWaalsContact O-N 3.11Å
180C95.5Very high95.5Very high0 Ų061 Ų610%030%0.299CS..Hα-helixtrans-63.7-41.8176.9-73.20000111.6L137 L176 F177 L183 E184 N185 L189 L192L137-C180 WeakPolarHBondContact CD1-SG 3.38Å; L176-C180 WeakPolarHBondContact O-CB 3.24Å; L176-C180 PolarHBondContact O-N 2.9Å; L176-C180 PolarHBondContact O-SG 3.42Å; L176-C180 VanDerWaalsContact O-SG 3.34Å; F177-C180 PolarHBondContact O-N 3.48Å; F177-C180 VanDerWaalsContact O-N 3.14Å; C180-L183 PolarHBondContact O-N 3.43Å; C180-E184 PolarHBondContact O-N 3.35Å; C180-E184 VanDerWaalsContact O-N 3.12Å; C180-N185 HydrophobicContact CB-CB 4.43Å; C180-N185 PolarHBondContact O-N 3.25Å; C180-L189 HydrophobicContact CB-CD2 3.69Å; C180-L189 HydrophobicContact CB-CG 3.91Å; C180-L192 HydrophobicContact CB-CD1 4.15Å
181E94.6Very high95.5Very high51 Ų5162.3 Ų62.324%0.23831%0.306CS..Hα-helixtrans-66.1-48.2178.8-177.2165.3-140.600111.1F177 H178 V179 L183 E184 L189 R237F177-E181 WeakPolarHBondContact CE1-OE2 3.19Å; F177-E181 WeakPolarHBondContact O-CB 3.31Å; F177-E181 PolarHBondContact O-N 3.45Å; H178-E181 PolarHBondContact O-N 3.44Å; V179-E181 VanDerWaalsContact C-N 3.35Å; E181-L183 PolarHBondContact O-N 3.35Å; E181-E184 PolarHBondContact O-N 2.69Å; E181-L189 HydrophobicContact CB-CD2 4.45Å; E181-R237 IonicContact OE1-CZ 2.96Å; E181-R237 VanDerWaalsContact OE1-CZ 3.28Å; E181-R237 IonicContact OE1-NH1 3.94Å; E181-R237 PolarHBondContact OE1-NH1 2.99Å; E181-R237 VanDerWaalsContact OE1-NH1 3.08Å; E181-R237 IonicContact OE1-NH2 2.87Å; E181-R237 PolarHBondContact OE1-NH2 3.41Å; E181-R237 IonicContact OE2-CZ 3.99Å; E181-R237 IonicContact OE2-NH1 3.99Å; E181-R237 PolarHBondContact OE2-NH1 3.08Å; E181-R237 IonicContact OE2-NH2 3.53Å
182D95.3Very high95.5Very high141 Ų14158 Ų5875%0.75429%0.287SS*.Hα-helixtrans-60.6-30.5176.7-79.8-16.5000113.1H178H178-D182 WeakPolarHBondContact O-CB 3.36Å; H178-D182 PolarHBondContact O-N 2.97Å
183L94.6Very high95.4Very high114 Ų11454.5 Ų54.560%0.59727%0.271SS*.THydrogen-bonded Turntrans-91.50.1178.3-66.4177.6000113.7V179 C180 E181 N185V179-L183 HydrophobicContact CG1-CD1 3.85Å; V179-L183 HydrophobicContact CG1-CG 4.47Å; V179-L183 WeakPolarHBondContact O-CB 3.14Å; V179-L183 WeakPolarHBondContact O-CG 3.31Å; V179-L183 PolarHBondContact O-N 2.56Å; V179-L183 VanDerWaalsContact O-N 3.11Å; C180-L183 PolarHBondContact O-N 3.43Å; E181-L183 PolarHBondContact O-N 3.35Å; L183-N185 HydrophobicContact CB-CB 4.46Å; L183-N185 PolarHBondContact O-N 3.36Å
184E92.4Very high95.3Very high162 Ų16259 Ų5976%0.75729%0.292SS*.THydrogen-bonded Turntrans51.333.9-171.9-59.6180177.600112.8C180 E181 I186C180-E184 PolarHBondContact O-N 3.35Å; C180-E184 VanDerWaalsContact O-N 3.12Å; E181-E184 PolarHBondContact O-N 2.69Å; E184-I186 PolarHBondContact O-N 3.17Å
185N93.5Very high95.3Very high48 Ų4858.8 Ų58.826%0.25729%0.291SS..  trans-79.883.3-178-177.78.2000111.4C180 L183 E187 G188 L189C180-N185 HydrophobicContact CB-CB 4.43Å; C180-N185 PolarHBondContact O-N 3.25Å; L183-N185 HydrophobicContact CB-CB 4.46Å; L183-N185 PolarHBondContact O-N 3.36Å; N185-E187 VanDerWaalsContact C-N 3.31Å; N185-E187 PolarHBondContact O-N 3.38Å; N185-G188 PolarHBondContact O-N 2.88Å; N185-G188 PolarHBondContact OD1-N 3.28Å; N185-L189 VanDerWaalsContact O-CG 3.3Å; N185-L189 WeakPolarHBondContact O-CG 3.42Å; N185-L189 PolarHBondContact O-N 2.99Å
186I93.5Very high95.3Very high88 Ų8852.4 Ų52.445%0.45126%0.262SS..Hα-helixtrans-57-39.9-177.7-54.5-54.9000113E184 L189 H190E184-I186 PolarHBondContact O-N 3.17Å; I186-L189 HydrophobicContact CD1-CD1 4.3Å; I186-L189 PolarHBondContact O-N 3.22Å; I186-H190 PolarHBondContact O-N 3.32Å
187E94.1Very high95.1Very high132 Ų13254.7 Ų54.762%0.61727%0.27SS*.Hα-helixtrans-63.2-45.3178.7-176.2175.7-159.900111.3N185 L189 H190 H191N185-E187 VanDerWaalsContact C-N 3.31Å; N185-E187 PolarHBondContact O-N 3.38Å; E187-L189 VanDerWaalsContact C-N 3.33Å; E187-L189 PolarHBondContact O-N 3.26Å; E187-H190 PolarHBondContact O-N 2.99Å; E187-H191 PolarHBondContact O-CD2 3.26Å; E187-H191 PolarHBondContact O-N 3.4Å; E187-H191 VanDerWaalsContact O-N 3.15Å
188G94.6Very high94.9Very high4 Ų454.9 Ų54.94%0.04127%0.272CS..Hα-helixtrans-62.4-38.4174.100000113N185 H191 L192N185-G188 PolarHBondContact O-N 2.88Å; N185-G188 PolarHBondContact OD1-N 3.28Å; G188-H191 PolarHBondContact O-N 3.28Å; G188-L192 VanDerWaalsContact O-CG 3.31Å; G188-L192 WeakPolarHBondContact O-CG 3.25Å; G188-L192 PolarHBondContact O-N 3.26Å
189L96.2Very high94.8Very high2 Ų251.4 Ų51.41%0.0126%0.256CS..Hα-helixtrans-67.5-38.8177.9-66.9165.4000112.2F177 C180 E181 N185 I186 E187 L192 Y193 Y226F177-L189 HydrophobicContact CD2-CD2 3.65Å; F177-L189 HydrophobicContact CE2-CD2 3.66Å; C180-L189 HydrophobicContact CB-CD2 3.69Å; C180-L189 HydrophobicContact CB-CG 3.91Å; E181-L189 HydrophobicContact CB-CD2 4.45Å; N185-L189 VanDerWaalsContact O-CG 3.3Å; N185-L189 WeakPolarHBondContact O-CG 3.42Å; N185-L189 PolarHBondContact O-N 2.99Å; I186-L189 HydrophobicContact CD1-CD1 4.3Å; I186-L189 PolarHBondContact O-N 3.22Å; E187-L189 VanDerWaalsContact C-N 3.33Å; E187-L189 PolarHBondContact O-N 3.26Å; L189-L192 HydrophobicContact CD2-CD1 4.49Å; L189-L192 PolarHBondContact O-N 2.97Å; L189-Y193 PolarHBondContact O-N 3.29Å; L189-Y226 HydrophobicContact CB-CD1 3.99Å; L189-Y226 HydrophobicContact CB-CD2 4.11Å; L189-Y226 HydrophobicContact CB-CG 3.77Å; L189-Y226 HydrophobicContact CD1-CD1 3.95Å; L189-Y226 HydrophobicContact CD1-CD2 4.45Å; L189-Y226 HydrophobicContact CD1-CE1 3.62Å; L189-Y226 HydrophobicContact CD1-CE2 4.17Å; L189-Y226 HydrophobicContact CD1-CG 4.36Å; L189-Y226 HydrophobicContact CD2-CD2 4.13Å; L189-Y226 HydrophobicContact CD2-CE2 4.02Å; L189-Y226 HydrophobicContact CG-CD1 4.49Å; L189-Y226 HydrophobicContact CG-CD2 4.45Å; L189-Y226 HydrophobicContact CG-CE2 4.49Å; L189-Y226 HydrophobicContact CG-CG 4.45Å
190H95.8Very high94.7Very high58 Ų5848.2 Ų48.227%0.26924%0.237SC..Hα-helixtrans-61.9-44.5173.4-73.7177.4000112.1I186 E187 L192 Y193 E194 Y226 P228I186-H190 PolarHBondContact O-N 3.32Å; E187-H190 PolarHBondContact O-N 2.99Å; H190-L192 VanDerWaalsContact C-N 3.34Å; H190-L192 PolarHBondContact O-N 3.33Å; H190-Y193 WeakPolarHBondContact O-CB 3.42Å; H190-Y193 PolarHBondContact O-N 3.15Å; H190-E194 WeakPolarHBondContact O-CG 3.24Å; H190-E194 PolarHBondContact O-N 3.42Å; H190-E194 VanDerWaalsContact O-N 3.08Å; H190-Y226 PolarHBondContact CD2-O 2.97Å; H190-P228 HydrophobicContact CB-CB 4.45Å; H190-P228 HydrophobicContact CB-CG 3.81Å
191H96.5Very high94.4Very high32 Ų3250.6 Ų50.615%0.14825%0.249CC..Hα-helixtrans-63.9-39.4174.5-69.1-50.5000112.1L140 A144 E187 G188 Y193 E194 I195L140-H191 HydrophobicContact CB-CB 3.84Å; A144-H191 HydrophobicContact CB-CB 4.45Å; E187-H191 PolarHBondContact O-CD2 3.26Å; E187-H191 PolarHBondContact O-N 3.4Å; E187-H191 VanDerWaalsContact O-N 3.15Å; G188-H191 PolarHBondContact O-N 3.28Å; H191-Y193 PolarHBondContact O-N 3.45Å; H191-E194 IonicContact ND1-OE2 2.82Å; H191-E194 PolarHBondContact O-N 3.45Å; H191-I195 WeakPolarHBondContact O-CB 3.27Å; H191-I195 WeakPolarHBondContact O-CD1 3.44Å; H191-I195 WeakPolarHBondContact O-CG1 3.36Å; H191-I195 PolarHBondContact O-N 2.93Å
192L96.9Very high94.3Very high0 Ų048.6 Ų48.60%024%0.24CC..Hα-helixtrans-63.2-39.6175.3-73.7165.2000112.1L140 L173 F177 C180 G188 L189 H190 I195 I196L140-L192 HydrophobicContact CD1-CD1 4.42Å; L140-L192 HydrophobicContact CD1-CG 4.16Å; L140-L192 HydrophobicContact CD2-CD2 3.82Å; L140-L192 HydrophobicContact CD2-CG 4.2Å; L173-L192 HydrophobicContact CB-CD2 4.42Å; L173-L192 HydrophobicContact CD2-CD2 4.17Å; F177-L192 HydrophobicContact CB-CD1 3.89Å; F177-L192 HydrophobicContact CD2-CD1 4.24Å; C180-L192 HydrophobicContact CB-CD1 4.15Å; G188-L192 VanDerWaalsContact O-CG 3.31Å; G188-L192 WeakPolarHBondContact O-CG 3.25Å; G188-L192 PolarHBondContact O-N 3.26Å; L189-L192 HydrophobicContact CD2-CD1 4.49Å; L189-L192 PolarHBondContact O-N 2.97Å; H190-L192 VanDerWaalsContact C-N 3.34Å; H190-L192 PolarHBondContact O-N 3.33Å; L192-I195 PolarHBondContact O-N 3.45Å; L192-I196 WeakPolarHBondContact O-CB 2.92Å; L192-I196 VanDerWaalsContact O-CG1 3.27Å; L192-I196 WeakPolarHBondContact O-CG1 2.96Å; L192-I196 PolarHBondContact O-N 2.92Å
193Y95.3Very high94Very high9 Ų943.5 Ų43.54%0.03521%0.213CC..Hα-helixtrans-56.3-51171.4170.3-84000111L189 H190 H191 I195 I196 K197 C223 L224 Y226 D227 P228L189-Y193 PolarHBondContact O-N 3.29Å; H190-Y193 WeakPolarHBondContact O-CB 3.42Å; H190-Y193 PolarHBondContact O-N 3.15Å; H191-Y193 PolarHBondContact O-N 3.45Å; Y193-I195 PolarHBondContact O-N 3.47Å; Y193-I196 PolarHBondContact O-N 3.3Å; Y193-K197 HydrophobicContact CE1-CD 3.65Å; Y193-K197 WeakPolarHBondContact O-CB 3.2Å; Y193-K197 PolarHBondContact O-N 2.84Å; Y193-K197 PolarHBondContact OH-NZ 2.9Å; Y193-C223 WeakPolarHBondContact CB-O 3.25Å; Y193-L224 HydrophobicContact CD2-CD2 4.43Å; Y193-L224 HydrophobicContact CE2-CD2 4.41Å; Y193-Y226 VanDerWaalsContact CB-O 3.32Å; Y193-Y226 WeakPolarHBondContact CB-O 3.4Å; Y193-D227 HydrophobicContact CD2-CB 4.15Å; Y193-D227 HydrophobicContact CE1-CB 4.35Å; Y193-D227 HydrophobicContact CE2-CB 3.55Å; Y193-D227 PolarHBondContact OH-OD2 3.23Å; Y193-P228 HydrophobicContact CD1-CG 4.25Å
194E94.3Very high93.9Very high93 Ų9342.6 Ų42.644%0.43520%0.202SC..Hα-helixtrans-62.5-42.3-178.8-70.3178.2163.200112A144 H190 H191 G198 P228A144-E194 HydrophobicContact CB-CB 4.48Å; H190-E194 WeakPolarHBondContact O-CG 3.24Å; H190-E194 PolarHBondContact O-N 3.42Å; H190-E194 VanDerWaalsContact O-N 3.08Å; H191-E194 IonicContact ND1-OE2 2.82Å; H191-E194 PolarHBondContact O-N 3.45Å; E194-G198 PolarHBondContact O-N 3.29Å; E194-P228 HydrophobicContact CG-CG 4.47Å
195I96.5Very high93.9Very high1 Ų138.2 Ų38.21%0.00519%0.186CC..Hα-helixtrans-62.2-53.4176.7-68.1162.2000110.3L140 I143 A144 V147 L173 H191 L192 Y193 K197 G198 I199L140-I195 HydrophobicContact CD2-CD1 4.05Å; I143-I195 HydrophobicContact CB-CD1 3.88Å; I143-I195 HydrophobicContact CB-CG1 4.47Å; I143-I195 HydrophobicContact CG2-CD1 3.63Å; I143-I195 HydrophobicContact CG2-CG1 3.95Å; I143-I195 HydrophobicContact CG2-CG2 4.26Å; A144-I195 HydrophobicContact CB-CD1 4.32Å; A144-I195 HydrophobicContact CB-CG1 3.87Å; V147-I195 HydrophobicContact CG2-CG2 4.4Å; L173-I195 HydrophobicContact CD1-CG2 3.59Å; L173-I195 HydrophobicContact CD2-CD1 4.39Å; L173-I195 HydrophobicContact CD2-CG2 4.32Å; H191-I195 WeakPolarHBondContact O-CB 3.27Å; H191-I195 WeakPolarHBondContact O-CD1 3.44Å; H191-I195 WeakPolarHBondContact O-CG1 3.36Å; H191-I195 PolarHBondContact O-N 2.93Å; L192-I195 PolarHBondContact O-N 3.45Å; Y193-I195 PolarHBondContact O-N 3.47Å; I195-K197 PolarHBondContact O-N 2.77Å; I195-G198 CarbonylContact O-C 3.58Å; I195-G198 PolarHBondContact O-N 2.7Å; I195-I199 HydrophobicContact CG2-CD1 3.91Å; I195-I199 HydrophobicContact CG2-CG1 4.49Å; I195-I199 VanDerWaalsContact O-CG1 3.29Å; I195-I199 WeakPolarHBondContact O-CG1 3.45Å; I195-I199 PolarHBondContact O-N 2.98Å
196I95.9Very high93.9Very high0 Ų037 Ų370%018%0.183CC..Hα-helixtrans-62.5-46.7-178-68-66000110.3L174 L192 Y193 G198 I199 F200 V220 C223 L224L174-I196 HydrophobicContact CD2-CD1 4.45Å; L192-I196 WeakPolarHBondContact O-CB 2.92Å; L192-I196 VanDerWaalsContact O-CG1 3.27Å; L192-I196 WeakPolarHBondContact O-CG1 2.96Å; L192-I196 PolarHBondContact O-N 2.92Å; Y193-I196 PolarHBondContact O-N 3.3Å; I196-G198 VanDerWaalsContact C-N 3.29Å; I196-G198 PolarHBondContact O-N 2.83Å; I196-I199 HydrophobicContact CD1-CD1 4.41Å; I196-I199 WeakPolarHBondContact O-CA 3.16Å; I196-I199 WeakPolarHBondContact O-CB 3.38Å; I196-I199 PolarHBondContact O-N 3.28Å; I196-F200 HydrophobicContact CG2-CD2 4.01Å; I196-F200 HydrophobicContact CG2-CE2 3.75Å; I196-F200 VanDerWaalsContact O-CD2 3.28Å; I196-F200 WeakPolarHBondContact O-CD2 3.23Å; I196-F200 PolarHBondContact O-N 3.33Å; I196-V220 HydrophobicContact CG2-CG1 3.96Å; I196-C223 HydrophobicContact CB-CB 4.28Å; I196-C223 HydrophobicContact CG1-CB 3.77Å; I196-L224 HydrophobicContact CG2-CD1 4.49Å; I196-L224 HydrophobicContact CG2-CD2 3.97Å; I196-L224 HydrophobicContact CG2-CG 4.07Å
197K92.8Very high94.1Very high74 Ų7433 Ų3332%0.32216%0.162SC..Hα-helixtrans-56.7-43.6174.2-177.7173.7-173.2171.20111.8Y193 I195 I199 F200 L201 L275Y193-K197 HydrophobicContact CE1-CD 3.65Å; Y193-K197 WeakPolarHBondContact O-CB 3.2Å; Y193-K197 PolarHBondContact O-N 2.84Å; Y193-K197 PolarHBondContact OH-NZ 2.9Å; I195-K197 PolarHBondContact O-N 2.77Å; K197-I199 VanDerWaalsContact C-N 3.34Å; K197-I199 PolarHBondContact O-N 3Å; K197-F200 WeakPolarHBondContact O-CB 3.4Å; K197-F200 PolarHBondContact O-N 3Å; K197-L201 WeakPolarHBondContact O-CG 3.47Å; K197-L201 PolarHBondContact O-N 3.47Å; K197-L275 HydrophobicContact CG-CD2 4.09Å
198G92.5Very high94.1Very high4 Ų426.7 Ų26.74%0.04113%0.133CC..Hα-helixtrans-62.3-39.1174.300000112.9L151 E194 I195 I196 F200 L201 L202L151-G198 WeakPolarHBondContact CD2-O 3.27Å; E194-G198 PolarHBondContact O-N 3.29Å; I195-G198 CarbonylContact O-C 3.58Å; I195-G198 PolarHBondContact O-N 2.7Å; I196-G198 VanDerWaalsContact C-N 3.29Å; I196-G198 PolarHBondContact O-N 2.83Å; G198-F200 VanDerWaalsContact C-N 3.34Å; G198-F200 PolarHBondContact O-N 3.31Å; G198-L201 WeakPolarHBondContact O-CB 3.11Å; G198-L201 PolarHBondContact O-N 3.5Å; G198-L201 VanDerWaalsContact O-N 3.11Å; G198-L202 PolarHBondContact O-N 3.11Å
199I94.3Very high94.1Very high0 Ų032 Ų320%016%0.157CC..Hα-helixtrans-62.4-39.6174.3-67.7170.5000111.2L164 I170 L173 I195 I196 K197 L201 L202 L207 M211L164-I199 HydrophobicContact CD1-CD1 4.28Å; L164-I199 HydrophobicContact CD1-CG1 3.9Å; I170-I199 HydrophobicContact CD1-CG2 4.38Å; I170-I199 HydrophobicContact CG1-CD1 4.27Å; L173-I199 HydrophobicContact CD1-CD1 3.94Å; I195-I199 HydrophobicContact CG2-CD1 3.91Å; I195-I199 HydrophobicContact CG2-CG1 4.49Å; I195-I199 VanDerWaalsContact O-CG1 3.29Å; I195-I199 WeakPolarHBondContact O-CG1 3.45Å; I195-I199 PolarHBondContact O-N 2.98Å; I196-I199 HydrophobicContact CD1-CD1 4.41Å; I196-I199 WeakPolarHBondContact O-CA 3.16Å; I196-I199 WeakPolarHBondContact O-CB 3.38Å; I196-I199 PolarHBondContact O-N 3.28Å; K197-I199 VanDerWaalsContact C-N 3.34Å; K197-I199 PolarHBondContact O-N 3Å; I199-L201 VanDerWaalsContact C-N 3.29Å; I199-L201 PolarHBondContact O-N 3.44Å; I199-L202 WeakPolarHBondContact O-CB 3.47Å; I199-L202 PolarHBondContact O-N 3.49Å; I199-L202 VanDerWaalsContact O-N 3.16Å; I199-L207 HydrophobicContact CG2-CB 4.36Å; I199-L207 HydrophobicContact CG2-CD1 4.1Å; I199-M211 HydrophobicContact CB-SD 4.34Å; I199-M211 HydrophobicContact CG2-CE 3.87Å; I199-M211 HydrophobicContact CG2-SD 3.59Å; I199-M211 VanDerWaalsContact CG2-SD 3.59Å
200F92.7Very high94.1Very high0 Ų034.3 Ų34.30%017%0.171CC..Hα-helixtrans-58.7-41.9172.2-84.4-90.8000112.3I196 K197 G198 L202 N203 F208 M211 F212 V220 L224 I270 L275 L286I196-F200 HydrophobicContact CG2-CD2 4.01Å; I196-F200 HydrophobicContact CG2-CE2 3.75Å; I196-F200 VanDerWaalsContact O-CD2 3.28Å; I196-F200 WeakPolarHBondContact O-CD2 3.23Å; I196-F200 PolarHBondContact O-N 3.33Å; K197-F200 WeakPolarHBondContact O-CB 3.4Å; K197-F200 PolarHBondContact O-N 3Å; G198-F200 VanDerWaalsContact C-N 3.34Å; G198-F200 PolarHBondContact O-N 3.31Å; F200-L202 PolarHBondContact O-N 3.35Å; F200-N203 PolarHBondContact O-N 3.22Å; F200-F208 HydrophobicContact CD1-CD1 4.46Å; F200-F208 AromaticContact CD1-CE1 3.71Å; F200-F208 HydrophobicContact CD1-CE1 3.71Å; F200-F208 HydrophobicContact CD1-CZ 4.42Å; F200-F208 HydrophobicContact CE1-CE1 4.31Å; F200-F208 HydrophobicContact CG-CE1 4.34Å; F200-M211 HydrophobicContact CD1-CE 4.23Å; F200-M211 HydrophobicContact CD2-CE 4.15Å; F200-M211 HydrophobicContact CD2-SD 4.27Å; F200-M211 HydrophobicContact CE1-CE 4.26Å; F200-M211 HydrophobicContact CE2-CE 4.12Å; F200-M211 HydrophobicContact CE2-SD 4.02Å; F200-M211 HydrophobicContact CG-CE 4.18Å; F200-M211 HydrophobicContact CZ-CE 4.18Å; F200-M211 HydrophobicContact CZ-SD 4.46Å; F200-F212 HydrophobicContact CD1-CZ 4.4Å; F200-F212 AromaticContact CE1-CE1 3.55Å; F200-F212 HydrophobicContact CE1-CE1 3.55Å; F200-F212 AromaticContact CE1-CZ 3.51Å; F200-F212 HydrophobicContact CE1-CZ 3.51Å; F200-F212 AromaticContact CZ-CE1 3.67Å; F200-F212 HydrophobicContact CZ-CE1 3.67Å; F200-F212 HydrophobicContact CZ-CZ 4.13Å; F200-V220 HydrophobicContact CE2-CG1 3.77Å; F200-V220 HydrophobicContact CZ-CG1 3.93Å; F200-L224 HydrophobicContact CE2-CD1 3.82Å; F200-L224 HydrophobicContact CZ-CD1 4.17Å; F200-I270 HydrophobicContact CE1-CG2 3.76Å; F200-I270 HydrophobicContact CZ-CD1 4.37Å; F200-I270 HydrophobicContact CZ-CG2 3.78Å; F200-L275 HydrophobicContact CB-CD1 3.64Å; F200-L275 HydrophobicContact CD1-CD1 3.58Å; F200-L275 HydrophobicContact CD2-CD1 4.03Å; F200-L275 HydrophobicContact CE1-CD1 4.16Å; F200-L275 HydrophobicContact CG-CD1 3.5Å; F200-L275 VanDerWaalsContact CG-CD1 3.5Å; F200-L286 WeakPolarHBondContact O-CD2 3.18Å
201L90.4Very high94.2Very high50 Ų5031.6 Ų31.626%0.26216%0.158SC..Hα-helixtrans-70.1-10.8179.4-64.4173.5000113.9L151 K197 G198 I199 N203 L286L151-L201 HydrophobicContact CD1-CB 4.26Å; L151-L201 HydrophobicContact CD1-CD1 3.82Å; L151-L201 HydrophobicContact CD2-CB 3.74Å; K197-L201 WeakPolarHBondContact O-CG 3.47Å; K197-L201 PolarHBondContact O-N 3.47Å; G198-L201 WeakPolarHBondContact O-CB 3.11Å; G198-L201 PolarHBondContact O-N 3.5Å; G198-L201 VanDerWaalsContact O-N 3.11Å; I199-L201 VanDerWaalsContact C-N 3.29Å; I199-L201 PolarHBondContact O-N 3.44Å; L201-N203 PolarHBondContact O-N 3.36Å; L201-L286 HydrophobicContact CD2-CD2 4.48Å
202L91.5Very high94.2Very high9 Ų930.1 Ų30.15%0.04715%0.151CC..THydrogen-bonded Turntrans-69.7-19.6167.1-58.9177.1000112.1L151 R157 L160 A161 L164 G198 I199 F200 R204 L207L151-L202 HydrophobicContact CD2-CD2 3.89Å; R157-L202 HydrophobicContact CB-CD2 3.98Å; R157-L202 HydrophobicContact CG-CD2 3.9Å; L160-L202 HydrophobicContact CD2-CD1 4.2Å; L160-L202 HydrophobicContact CD2-CD2 4.11Å; L160-L202 HydrophobicContact CG-CD1 4.15Å; A161-L202 HydrophobicContact CB-CD1 4.26Å; L164-L202 HydrophobicContact CD1-CD1 3.55Å; G198-L202 PolarHBondContact O-N 3.11Å; I199-L202 WeakPolarHBondContact O-CB 3.47Å; I199-L202 PolarHBondContact O-N 3.49Å; I199-L202 VanDerWaalsContact O-N 3.16Å; F200-L202 PolarHBondContact O-N 3.35Å; L202-R204 VanDerWaalsContact C-N 3.32Å; L202-R204 PolarHBondContact O-N 3.37Å; L202-L207 HydrophobicContact CB-CD1 4.23Å; L202-L207 HydrophobicContact CD1-CD1 3.83Å
203N89.4Confident94.1Very high33 Ų3331.5 Ų31.518%0.17616%0.161CC..  trans53.441.1171.6-163.437.9000113.8F200 L201 S287 T288F200-N203 PolarHBondContact O-N 3.22Å; L201-N203 PolarHBondContact O-N 3.36Å; N203-S287 PolarHBondContact ND2-OG 2.81Å; N203-S287 VanDerWaalsContact ND2-OG 3.15Å; N203-T288 PolarHBondContact ND2-OG1 3.04Å; N203-T288 WeakPolarHBondContact O-CB 3.34Å; N203-T288 PolarHBondContact O-OG1 3.03Å; N203-T288 WeakPolarHBondContact OD1-CB 3.44Å; N203-T288 PolarHBondContact OD1-N 3.31Å; N203-T288 VanDerWaalsContact OD1-N 3.08Å; N203-T288 PolarHBondContact OD1-OG1 3.47Å
204R91.8Very high94Very high95 Ų9537.1 Ų37.136%0.35819%0.188SC..  trans-109.8133.6-178.3-68.9-59.4-161.11604.8112.9E158 A161 L202 A206 L207 F208E158-R204 VanDerWaalsContact CD-NH2 3.25Å; E158-R204 IonicContact OE1-CZ 3.99Å; E158-R204 IonicContact OE1-NH2 2.66Å; E158-R204 PolarHBondContact OE1-NH2 2.87Å; A161-R204 HydrophobicContact CB-CB 4.49Å; A161-R204 HydrophobicContact CB-CG 3.64Å; L202-R204 VanDerWaalsContact C-N 3.32Å; L202-R204 PolarHBondContact O-N 3.37Å; R204-A206 PolarHBondContact O-N 2.89Å; R204-L207 HydrophobicContact CB-CB 4.49Å; R204-L207 HydrophobicContact CB-CD1 4.11Å; R204-L207 HydrophobicContact CB-CG 4.11Å; R204-L207 PolarHBondContact O-N 3.44Å; R204-F208 WeakPolarHBondContact O-CG 3.4Å; R204-F208 PolarHBondContact O-N 3.44Å; R204-F208 VanDerWaalsContact O-N 3.17Å
205T93.5Very high94Very high70 Ų7039.6 Ų39.643%0.42920%0.199SC..Hα-helixtrans-60.2-46.6-178.2-47.70000113.3L207 F208 E209 T288T205-L207 VanDerWaalsContact C-N 3.26Å; T205-L207 PolarHBondContact O-N 2.88Å; T205-F208 CarbonylContact O-C 3.38Å; T205-F208 WeakPolarHBondContact O-CA 3.31Å; T205-F208 WeakPolarHBondContact O-CB 3.27Å; T205-F208 PolarHBondContact O-N 3.01Å; T205-E209 HydrophobicContact CG2-CG 4.47Å; T205-E209 WeakPolarHBondContact O-CG 3.31Å; T205-E209 PolarHBondContact O-N 3.01Å; T205-T288 WeakPolarHBondContact OG1-CG2 3.46Å
206A94.3Very high94Very high24 Ų2439.8 Ų39.820%0.19820%0.2CC..Hα-helixtrans-60.9-35.4-178.100000112.6E165 R204 V210E165-A206 HydrophobicContact CG-CB 4.23Å; E165-A206 WeakPolarHBondContact OE1-CB 3.46Å; R204-A206 PolarHBondContact O-N 2.89Å; A206-V210 PolarHBondContact O-N 3.38Å
207L95.8Very high94Very high2 Ų239.8 Ų39.81%0.0120%0.201CC..Hα-helixtrans-70.6-39.9175.1-57-178.8000111.1A161 L164 E165 I170 I199 L202 R204 T205 V210 M211A161-L207 HydrophobicContact CB-CD1 3.95Å; L164-L207 HydrophobicContact CB-CD2 4.02Å; L164-L207 HydrophobicContact CD1-CD1 4.39Å; E165-L207 HydrophobicContact CB-CD2 4.12Å; I170-L207 HydrophobicContact CD1-CB 4.15Å; I170-L207 HydrophobicContact CD1-CD2 3.89Å; I199-L207 HydrophobicContact CG2-CB 4.36Å; I199-L207 HydrophobicContact CG2-CD1 4.1Å; L202-L207 HydrophobicContact CB-CD1 4.23Å; L202-L207 HydrophobicContact CD1-CD1 3.83Å; R204-L207 HydrophobicContact CB-CB 4.49Å; R204-L207 HydrophobicContact CB-CD1 4.11Å; R204-L207 HydrophobicContact CB-CG 4.11Å; R204-L207 PolarHBondContact O-N 3.44Å; T205-L207 VanDerWaalsContact C-N 3.26Å; T205-L207 PolarHBondContact O-N 2.88Å; L207-V210 PolarHBondContact O-N 2.85Å; L207-M211 WeakPolarHBondContact O-CB 3.39Å; L207-M211 WeakPolarHBondContact O-CG 3.36Å; L207-M211 PolarHBondContact O-N 3.16Å
208F95.4Very high94.2Very high0 Ų038.2 Ų38.20%020%0.195CC..Hα-helixtrans-62-41173.7-69-22.9000112.9F200 R204 T205 V210 M211 F212 T288 L289 F292F200-F208 HydrophobicContact CD1-CD1 4.46Å; F200-F208 AromaticContact CD1-CE1 3.71Å; F200-F208 HydrophobicContact CD1-CE1 3.71Å; F200-F208 HydrophobicContact CD1-CZ 4.42Å; F200-F208 HydrophobicContact CE1-CE1 4.31Å; F200-F208 HydrophobicContact CG-CE1 4.34Å; R204-F208 WeakPolarHBondContact O-CG 3.4Å; R204-F208 PolarHBondContact O-N 3.44Å; R204-F208 VanDerWaalsContact O-N 3.17Å; T205-F208 CarbonylContact O-C 3.38Å; T205-F208 WeakPolarHBondContact O-CA 3.31Å; T205-F208 WeakPolarHBondContact O-CB 3.27Å; T205-F208 PolarHBondContact O-N 3.01Å; F208-V210 VanDerWaalsContact C-N 3.27Å; F208-V210 PolarHBondContact O-N 2.82Å; F208-M211 HydrophobicContact CD1-CE 3.37Å; F208-M211 HydrophobicContact CE1-CE 3.69Å; F208-M211 PolarHBondContact O-N 3.39Å; F208-F212 HydrophobicContact CB-CD2 3.76Å; F208-F212 HydrophobicContact CB-CE2 3.49Å; F208-F212 VanDerWaalsContact CB-CE2 3.49Å; F208-F212 HydrophobicContact CB-CZ 4.3Å; F208-F212 AromaticContact CD1-CE2 3.8Å; F208-F212 HydrophobicContact CD1-CE2 3.8Å; F208-F212 AromaticContact CD1-CZ 3.78Å; F208-F212 HydrophobicContact CD1-CZ 3.78Å; F208-F212 HydrophobicContact CD2-CE2 4.33Å; F208-F212 HydrophobicContact CE1-CZ 4.36Å; F208-F212 HydrophobicContact CG-CD2 4.41Å; F208-F212 AromaticContact CG-CE2 3.64Å; F208-F212 HydrophobicContact CG-CE2 3.64Å; F208-F212 HydrophobicContact CG-CZ 4.11Å; F208-F212 VanDerWaalsContact O-CB 3.25Å; F208-F212 WeakPolarHBondContact O-CB 3.35Å; F208-F212 WeakPolarHBondContact O-CD2 3.32Å; F208-F212 WeakPolarHBondContact O-CG 3.47Å; F208-F212 PolarHBondContact O-N 3.3Å; F208-T288 HydrophobicContact CD2-CG2 3.83Å; F208-T288 HydrophobicContact CE2-CG2 3.86Å; F208-L289 HydrophobicContact CE2-CB 3.98Å; F208-L289 HydrophobicContact CZ-CB 4.21Å; F208-F292 HydrophobicContact CB-CD2 4.29Å
209E94.7Very high94.4Very high117 Ų11739.6 Ų39.655%0.54720%0.201SC..Hα-helixtrans-57.8-40.7175.2-72.5174.5-172.500112T205 S213 F292T205-E209 HydrophobicContact CG2-CG 4.47Å; T205-E209 WeakPolarHBondContact O-CG 3.31Å; T205-E209 PolarHBondContact O-N 3.01Å; E209-S213 PolarHBondContact O-N 3.43Å; E209-F292 HydrophobicContact CG-CE2 4.37Å
210V96.6Very high94.5Very high50 Ų5039.6 Ų39.630%0.30320%0.201SC..Hα-helixtrans-71.2-51.5175.9179.20000111.1I170 K171 A206 L207 F208 F212 S213 C216I170-V210 HydrophobicContact CB-CG1 4.06Å; I170-V210 HydrophobicContact CD1-CB 4.2Å; I170-V210 HydrophobicContact CD1-CG1 4.21Å; I170-V210 HydrophobicContact CG2-CG1 4.05Å; K171-V210 HydrophobicContact CG-CG1 4.38Å; A206-V210 PolarHBondContact O-N 3.38Å; L207-V210 PolarHBondContact O-N 2.85Å; F208-V210 VanDerWaalsContact C-N 3.27Å; F208-V210 PolarHBondContact O-N 2.82Å; V210-F212 VanDerWaalsContact C-N 3.29Å; V210-F212 PolarHBondContact O-N 3.31Å; V210-S213 WeakPolarHBondContact O-CB 3.22Å; V210-S213 PolarHBondContact O-N 3.29Å; V210-S213 PolarHBondContact O-OG 3.03Å; V210-C216 WeakPolarHBondContact O-CB 3.29Å
211M97Very high94.7Very high0 Ų039.6 Ų39.60%020%0.201CC..Hα-helixtrans-61.6-36.4-177.4-72-167-58.700112.7I170 I199 F200 L207 F208 I217 V220I170-M211 HydrophobicContact CD1-CG 3.91Å; I170-M211 HydrophobicContact CG2-CG 3.99Å; I199-M211 HydrophobicContact CB-SD 4.34Å; I199-M211 HydrophobicContact CG2-CE 3.87Å; I199-M211 HydrophobicContact CG2-SD 3.59Å; I199-M211 VanDerWaalsContact CG2-SD 3.59Å; F200-M211 HydrophobicContact CD1-CE 4.23Å; F200-M211 HydrophobicContact CD2-CE 4.15Å; F200-M211 HydrophobicContact CD2-SD 4.27Å; F200-M211 HydrophobicContact CE1-CE 4.26Å; F200-M211 HydrophobicContact CE2-CE 4.12Å; F200-M211 HydrophobicContact CE2-SD 4.02Å; F200-M211 HydrophobicContact CG-CE 4.18Å; F200-M211 HydrophobicContact CZ-CE 4.18Å; F200-M211 HydrophobicContact CZ-SD 4.46Å; L207-M211 WeakPolarHBondContact O-CB 3.39Å; L207-M211 WeakPolarHBondContact O-CG 3.36Å; L207-M211 PolarHBondContact O-N 3.16Å; F208-M211 HydrophobicContact CD1-CE 3.37Å; F208-M211 HydrophobicContact CE1-CE 3.69Å; F208-M211 PolarHBondContact O-N 3.39Å; M211-I217 VanDerWaalsContact O-CA 3.27Å; M211-I217 WeakPolarHBondContact O-CA 3.38Å; M211-I217 PolarHBondContact O-N 3.48Å; M211-V220 HydrophobicContact CB-CG2 4.04Å; M211-V220 HydrophobicContact CG-CG2 4.2Å
212F96.7Very high94.9Very high1 Ų137.2 Ų37.20%0.00419%0.189CC..THydrogen-bonded Turntrans-943.1-177.8-52.9-32.7000113.7F200 F208 V210 I217 Q263 V267 I270 L289 F292F200-F212 HydrophobicContact CD1-CZ 4.4Å; F200-F212 AromaticContact CE1-CE1 3.55Å; F200-F212 HydrophobicContact CE1-CE1 3.55Å; F200-F212 AromaticContact CE1-CZ 3.51Å; F200-F212 HydrophobicContact CE1-CZ 3.51Å; F200-F212 AromaticContact CZ-CE1 3.67Å; F200-F212 HydrophobicContact CZ-CE1 3.67Å; F200-F212 HydrophobicContact CZ-CZ 4.13Å; F208-F212 HydrophobicContact CB-CD2 3.76Å; F208-F212 HydrophobicContact CB-CE2 3.49Å; F208-F212 VanDerWaalsContact CB-CE2 3.49Å; F208-F212 HydrophobicContact CB-CZ 4.3Å; F208-F212 AromaticContact CD1-CE2 3.8Å; F208-F212 HydrophobicContact CD1-CE2 3.8Å; F208-F212 AromaticContact CD1-CZ 3.78Å; F208-F212 HydrophobicContact CD1-CZ 3.78Å; F208-F212 HydrophobicContact CD2-CE2 4.33Å; F208-F212 HydrophobicContact CE1-CZ 4.36Å; F208-F212 HydrophobicContact CG-CD2 4.41Å; F208-F212 AromaticContact CG-CE2 3.64Å; F208-F212 HydrophobicContact CG-CE2 3.64Å; F208-F212 HydrophobicContact CG-CZ 4.11Å; F208-F212 VanDerWaalsContact O-CB 3.25Å; F208-F212 WeakPolarHBondContact O-CB 3.35Å; F208-F212 WeakPolarHBondContact O-CD2 3.32Å; F208-F212 WeakPolarHBondContact O-CG 3.47Å; F208-F212 PolarHBondContact O-N 3.3Å; V210-F212 VanDerWaalsContact C-N 3.29Å; V210-F212 PolarHBondContact O-N 3.31Å; F212-I217 HydrophobicContact CB-CD1 4.32Å; F212-I217 HydrophobicContact CD1-CD1 4.46Å; F212-Q263 HydrophobicContact CB-CG 4.34Å; F212-Q263 PolarHBondContact O-NE2 2.73Å; F212-V267 HydrophobicContact CB-CG2 3.85Å; F212-V267 HydrophobicContact CD1-CG2 3.7Å; F212-V267 HydrophobicContact CD2-CG1 4.09Å; F212-V267 HydrophobicContact CD2-CG2 3.68Å; F212-V267 HydrophobicContact CE1-CG1 4.38Å; F212-V267 HydrophobicContact CE1-CG2 4.14Å; F212-V267 HydrophobicContact CE2-CG1 3.74Å; F212-V267 HydrophobicContact CE2-CG2 4.11Å; F212-V267 HydrophobicContact CG-CG2 3.47Å; F212-V267 VanDerWaalsContact CG-CG2 3.47Å; F212-V267 HydrophobicContact CZ-CG1 3.92Å; F212-V267 HydrophobicContact CZ-CG2 4.34Å; F212-I270 HydrophobicContact CE1-CD1 4.13Å; F212-L289 HydrophobicContact CE2-CD1 3.61Å; F212-L289 HydrophobicContact CZ-CD1 3.49Å; F212-L289 VanDerWaalsContact CZ-CD1 3.49Å; F212-F292 HydrophobicContact CB-CE1 4.3Å; F212-F292 HydrophobicContact CB-CZ 4.11Å; F212-F292 AromaticContact CD2-CD1 3.86Å; F212-F292 HydrophobicContact CD2-CD1 3.86Å; F212-F292 HydrophobicContact CD2-CD2 4.3Å; F212-F292 AromaticContact CD2-CE1 3.62Å; F212-F292 HydrophobicContact CD2-CE1 3.62Å; F212-F292 HydrophobicContact CD2-CE2 4.08Å; F212-F292 HydrophobicContact CD2-CG 4.2Å; F212-F292 AromaticContact CD2-CZ 3.75Å; F212-F292 HydrophobicContact CD2-CZ 3.75Å; F212-F292 HydrophobicContact CE2-CD1 4.21Å; F212-F292 HydrophobicContact CE2-CE1 4.42Å; F212-F292 HydrophobicContact CE2-CG 4.35Å; F212-F292 HydrophobicContact CG-CE1 4.37Å; F212-F292 HydrophobicContact CG-CZ 4.44Å
213S95.6Very high95.1Very high30 Ų3036.8 Ų36.821%0.2119%0.186CC..SBendtrans-59.9150.9170.6690000110.9E209 V210 E215 C216 I217E209-S213 PolarHBondContact O-N 3.43Å; V210-S213 WeakPolarHBondContact O-CB 3.22Å; V210-S213 PolarHBondContact O-N 3.29Å; V210-S213 PolarHBondContact O-OG 3.03Å; S213-E215 PolarHBondContact O-N 2.63Å; S213-C216 PolarHBondContact O-N 3.13Å; S213-C216 WeakPolarHBondContact OG-CB 3.28Å; S213-C216 PolarHBondContact OG-SG 3.34Å; S213-I217 WeakPolarHBondContact O-CB 3.35Å; S213-I217 PolarHBondContact O-N 3.47Å
214E92.3Very high95.4Very high126 Ų12635.4 Ų35.459%0.58918%0.179SC*.THydrogen-bonded Turntrans-57.4-35-176.8-178.8177-165.800112.9C216 Q259E214-C216 VanDerWaalsContact C-N 3.31Å; E214-C216 PolarHBondContact O-N 3.23Å; E214-Q259 PolarHBondContact OE2-NE2 3.48Å
215E94.2Very high95.6Very high145 Ų14531.4 Ų31.468%0.67817%0.165SC*.THydrogen-bonded Turntrans-68.7-27.6177.8-60.7178.5170.600113.1K171 S213K171-E215 IonicContact NZ-OE2 2.79Å; K171-E215 PolarHBondContact NZ-OE2 3.24Å; S213-E215 PolarHBondContact O-N 2.63Å
216C97.1Very high95.6Very high5 Ų529.6 Ų29.63%0.03415%0.15CC..THydrogen-bonded Turntrans-110.3-28.7-169.1-64.30000113.8L174 V210 S213 E214 M218 D219 V220L174-C216 HydrophobicContact CD1-CB 3.58Å; V210-C216 WeakPolarHBondContact O-CB 3.29Å; S213-C216 PolarHBondContact O-N 3.13Å; S213-C216 WeakPolarHBondContact OG-CB 3.28Å; S213-C216 PolarHBondContact OG-SG 3.34Å; E214-C216 VanDerWaalsContact C-N 3.31Å; E214-C216 PolarHBondContact O-N 3.23Å; C216-M218 VanDerWaalsContact C-N 3.33Å; C216-M218 PolarHBondContact O-N 3.13Å; C216-D219 PolarHBondContact O-N 3.22Å; C216-V220 WeakPolarHBondContact O-CG2 3.3Å; C216-V220 PolarHBondContact O-N 3.35Å
217I96.1Very high95.5Very high1 Ų130.3 Ų30.31%0.00515%0.151CC..Hα-helixtrans-60-38.8-166.3-167.3166.6000113.7M211 F212 S213 I221 Q263 R266 V267M211-I217 VanDerWaalsContact O-CA 3.27Å; M211-I217 WeakPolarHBondContact O-CA 3.38Å; M211-I217 PolarHBondContact O-N 3.48Å; F212-I217 HydrophobicContact CB-CD1 4.32Å; F212-I217 HydrophobicContact CD1-CD1 4.46Å; S213-I217 WeakPolarHBondContact O-CB 3.35Å; S213-I217 PolarHBondContact O-N 3.47Å; I217-I221 HydrophobicContact CG1-CD1 4.07Å; I217-I221 WeakPolarHBondContact O-CD1 3.44Å; I217-I221 WeakPolarHBondContact O-CG1 3.29Å; I217-I221 PolarHBondContact O-N 3.05Å; I217-Q263 HydrophobicContact CD1-CG 4.48Å; I217-R266 HydrophobicContact CD1-CB 3.51Å; I217-R266 HydrophobicContact CD1-CG 4.39Å; I217-R266 HydrophobicContact CG1-CB 4.27Å; I217-V267 HydrophobicContact CD1-CG2 4Å
218M95.8Very high95.2Very high40 Ų4032.7 Ų32.720%0.19717%0.166CC..Hα-helixtrans-70.7-33.9178.9-69.5-56-59.600112.2C216 I221 G222 R237 T241C216-M218 VanDerWaalsContact C-N 3.33Å; C216-M218 PolarHBondContact O-N 3.13Å; M218-I221 PolarHBondContact O-N 2.83Å; M218-I221 HydrophobicContact SD-CD1 4.34Å; M218-G222 PolarHBondContact O-N 3.41Å; M218-R237 HydrophobicContact CE-CB 3.92Å; M218-R237 HydrophobicContact CE-CG 3.9Å; M218-R237 WeakPolarHBondContact O-CD 3.47Å; M218-T241 HydrophobicContact CE-CG2 3.58Å
219D97.2Very high94.8Very high33 Ų3336.9 Ų36.918%0.17620%0.2CC..Hα-helixtrans-74.5-37.3177.3-60.8-15.1000110.9L174 F177 H178 C216 I221 G222 C223L174-D219 HydrophobicContact CB-CB 4.3Å; L174-D219 HydrophobicContact CD1-CB 4.17Å; L174-D219 HydrophobicContact CD2-CB 3.87Å; L174-D219 HydrophobicContact CG-CB 4.31Å; F177-D219 HydrophobicContact CD1-CB 4.31Å; H178-D219 IonicContact CD2-OD2 2.91Å; H178-D219 IonicContact CE1-OD1 2.73Å; H178-D219 PolarHBondContact CE1-OD1 3.35Å; H178-D219 IonicContact CE1-OD2 2.64Å; H178-D219 PolarHBondContact CE1-OD2 3.19Å; H178-D219 VanDerWaalsContact NE2-CG 3.25Å; H178-D219 IonicContact NE2-OD1 3.71Å; H178-D219 IonicContact NE2-OD2 3.89Å; H178-D219 PolarHBondContact NE2-OD2 3.5Å; C216-D219 PolarHBondContact O-N 3.22Å; D219-I221 VanDerWaalsContact C-N 3.35Å; D219-G222 CarbonylContact O-C 3.34Å; D219-G222 WeakPolarHBondContact O-CA 3.12Å; D219-G222 PolarHBondContact O-N 3.27Å; D219-C223 PolarHBondContact O-N 3.11Å; D219-C223 PolarHBondContact O-SG 3.26Å
220V97Very high94.5Very high0 Ų034.5 Ų34.50%019%0.191CC..Hα-helixtrans-60.1-46.2171.4170.60000110.4L174 I196 F200 M211 C216 G222 C223 L224L174-V220 HydrophobicContact CD1-CG2 4.09Å; L174-V220 HydrophobicContact CD2-CG2 4.03Å; I196-V220 HydrophobicContact CG2-CG1 3.96Å; F200-V220 HydrophobicContact CE2-CG1 3.77Å; F200-V220 HydrophobicContact CZ-CG1 3.93Å; M211-V220 HydrophobicContact CB-CG2 4.04Å; M211-V220 HydrophobicContact CG-CG2 4.2Å; C216-V220 WeakPolarHBondContact O-CG2 3.3Å; C216-V220 PolarHBondContact O-N 3.35Å; V220-G222 VanDerWaalsContact C-N 3.29Å; V220-G222 PolarHBondContact O-N 2.92Å; V220-C223 WeakPolarHBondContact O-CB 3.42Å; V220-C223 PolarHBondContact O-N 3.27Å; V220-L224 HydrophobicContact CG1-CD1 4.26Å; V220-L224 WeakPolarHBondContact O-CG 3.48Å; V220-L224 PolarHBondContact O-N 2.74Å; V220-L224 VanDerWaalsContact O-N 3.14Å
221I95.9Very high93.8Very high0 Ų038.2 Ų38.20%022%0.22CC..Hα-helixtrans-62.1-40.9174.8-68.2161.1000110.4I217 M218 D219 C223 L224 E225 H236 R237 L240 R266 I270I217-I221 HydrophobicContact CG1-CD1 4.07Å; I217-I221 WeakPolarHBondContact O-CD1 3.44Å; I217-I221 WeakPolarHBondContact O-CG1 3.29Å; I217-I221 PolarHBondContact O-N 3.05Å; M218-I221 PolarHBondContact O-N 2.83Å; M218-I221 HydrophobicContact SD-CD1 4.34Å; D219-I221 VanDerWaalsContact C-N 3.35Å; I221-C223 PolarHBondContact O-N 2.67Å; I221-L224 CarbonylContact O-C 3.54Å; I221-L224 WeakPolarHBondContact O-CA 3.32Å; I221-L224 WeakPolarHBondContact O-CB 3.35Å; I221-L224 PolarHBondContact O-N 3.13Å; I221-E225 WeakPolarHBondContact O-CG 3.5Å; I221-E225 PolarHBondContact O-N 2.84Å; I221-H236 HydrophobicContact CG2-CB 3.52Å; I221-R237 HydrophobicContact CB-CG 4.37Å; I221-R237 HydrophobicContact CG2-CG 3.9Å; I221-L240 HydrophobicContact CD1-CD1 3.6Å; I221-L240 HydrophobicContact CG2-CD1 4.23Å; I221-R266 HydrophobicContact CD1-CB 4.35Å; I221-I270 HydrophobicContact CD1-CD1 4.14Å; I221-I270 HydrophobicContact CD1-CG1 4.36Å; I221-I270 HydrophobicContact CG1-CD1 3.71Å; I221-I270 HydrophobicContact CG1-CG1 3.86Å
222G95.6Very high93.3Very high0 Ų045.5 Ų45.50%025%0.254CS..Hα-helixtrans-57.8-44.6174.500000113F177 M218 D219 V220 L224 E225 Y226F177-G222 VanDerWaalsContact CZ-C 3.46Å; M218-G222 PolarHBondContact O-N 3.41Å; D219-G222 CarbonylContact O-C 3.34Å; D219-G222 WeakPolarHBondContact O-CA 3.12Å; D219-G222 PolarHBondContact O-N 3.27Å; V220-G222 VanDerWaalsContact C-N 3.29Å; V220-G222 PolarHBondContact O-N 2.92Å; G222-L224 PolarHBondContact O-N 3Å; G222-E225 WeakPolarHBondContact O-CB 3.29Å; G222-E225 PolarHBondContact O-N 2.81Å; G222-E225 VanDerWaalsContact O-N 3.15Å; G222-Y226 VanDerWaalsContact O-CD2 3.25Å; G222-Y226 WeakPolarHBondContact O-CD2 3.21Å; G222-Y226 WeakPolarHBondContact O-CE2 3.39Å
223C96.2Very high92.8Very high0 Ų048.8 Ų48.80%028%0.275CS..Hα-helixtrans-58.9-38.6173.4-64.50000111.6F177 Y193 I196 D219 V220 I221 E225 Y226F177-C223 HydrophobicContact CD2-CB 4.36Å; F177-C223 WeakPolarHBondContact CD2-SG 3.3Å; F177-C223 WeakPolarHBondContact CG-SG 3.4Å; Y193-C223 WeakPolarHBondContact CB-O 3.25Å; I196-C223 HydrophobicContact CB-CB 4.28Å; I196-C223 HydrophobicContact CG1-CB 3.77Å; D219-C223 PolarHBondContact O-N 3.11Å; D219-C223 PolarHBondContact O-SG 3.26Å; V220-C223 WeakPolarHBondContact O-CB 3.42Å; V220-C223 PolarHBondContact O-N 3.27Å; I221-C223 PolarHBondContact O-N 2.67Å; C223-E225 VanDerWaalsContact C-N 3.25Å; C223-E225 PolarHBondContact O-N 3.44Å; C223-Y226 PolarHBondContact O-N 3.35Å
224L94.7Very high92.4Very high4 Ų453.2 Ų53.22%0.02129%0.287CS..Hα-helixtrans-74.8-8-179.2-66.4169.3000114.2Y193 I196 F200 V220 I221 G222 Y226 I270 V274Y193-L224 HydrophobicContact CD2-CD2 4.43Å; Y193-L224 HydrophobicContact CE2-CD2 4.41Å; I196-L224 HydrophobicContact CG2-CD1 4.49Å; I196-L224 HydrophobicContact CG2-CD2 3.97Å; I196-L224 HydrophobicContact CG2-CG 4.07Å; F200-L224 HydrophobicContact CE2-CD1 3.82Å; F200-L224 HydrophobicContact CZ-CD1 4.17Å; V220-L224 HydrophobicContact CG1-CD1 4.26Å; V220-L224 WeakPolarHBondContact O-CG 3.48Å; V220-L224 PolarHBondContact O-N 2.74Å; V220-L224 VanDerWaalsContact O-N 3.14Å; I221-L224 CarbonylContact O-C 3.54Å; I221-L224 WeakPolarHBondContact O-CA 3.32Å; I221-L224 WeakPolarHBondContact O-CB 3.35Å; I221-L224 PolarHBondContact O-N 3.13Å; G222-L224 PolarHBondContact O-N 3Å; L224-Y226 VanDerWaalsContact C-N 3.31Å; L224-I270 HydrophobicContact CD1-CG2 4.12Å; L224-V274 HydrophobicContact CB-CG1 3.77Å; L224-V274 HydrophobicContact CD1-CG1 3.92Å; L224-V274 HydrophobicContact CD2-CG1 4.15Å; L224-V274 HydrophobicContact CG-CG1 4.15Å
225E95.1Very high92.4Very high12 Ų1254 Ų546%0.05629%0.288CS..THydrogen-bonded Turntrans-70.7-27174-66.7-172.2148.600112.7I221 G222 C223 D227 P233 R234 H236 R237I221-E225 WeakPolarHBondContact O-CG 3.5Å; I221-E225 PolarHBondContact O-N 2.84Å; G222-E225 WeakPolarHBondContact O-CB 3.29Å; G222-E225 PolarHBondContact O-N 2.81Å; G222-E225 VanDerWaalsContact O-N 3.15Å; C223-E225 VanDerWaalsContact C-N 3.25Å; C223-E225 PolarHBondContact O-N 3.44Å; E225-D227 PolarHBondContact O-N 3.1Å; E225-P233 HydrophobicContact CB-CB 4.45Å; E225-P233 CarbonylContact O-C 3.56Å; E225-P233 WeakPolarHBondContact O-CA 2.97Å; E225-P233 WeakPolarHBondContact O-CB 3.39Å; E225-R234 WeakPolarHBondContact CB-O 3.41Å; E225-R234 VanDerWaalsContact CD-O 3.24Å; E225-R234 WeakPolarHBondContact CG-O 3.46Å; E225-R234 PolarHBondContact O-N 3.2Å; E225-H236 HydrophobicContact CG-CB 4.02Å; E225-H236 PolarHBondContact OE1-N 3.44Å; E225-R237 WeakPolarHBondContact OE1-CB 3.36Å; E225-R237 PolarHBondContact OE1-N 3.15Å; E225-R237 IonicContact OE1-NE 2.74Å; E225-R237 IonicContact OE2-CZ 2.73Å; E225-R237 VanDerWaalsContact OE2-CZ 3.3Å; E225-R237 IonicContact OE2-NE 3.26Å; E225-R237 PolarHBondContact OE2-NE 2.95Å; E225-R237 IonicContact OE2-NH2 3.79Å; E225-R237 PolarHBondContact OE2-NH2 3.21Å
226Y94Very high92.3Very high32 Ų3247.4 Ų47.413%0.12526%0.258CS..  trans-9752.3-169.8-63.1-83.5000113.2F177 L189 H190 Y193 G222 C223 L224 P228 P233F177-Y226 HydrophobicContact CE2-CD2 4.23Å; F177-Y226 AromaticContact CE2-CE2 3.91Å; F177-Y226 HydrophobicContact CE2-CE2 3.91Å; F177-Y226 HydrophobicContact CZ-CE2 4.37Å; L189-Y226 HydrophobicContact CB-CD1 3.99Å; L189-Y226 HydrophobicContact CB-CD2 4.11Å; L189-Y226 HydrophobicContact CB-CG 3.77Å; L189-Y226 HydrophobicContact CD1-CD1 3.95Å; L189-Y226 HydrophobicContact CD1-CD2 4.45Å; L189-Y226 HydrophobicContact CD1-CE1 3.62Å; L189-Y226 HydrophobicContact CD1-CE2 4.17Å; L189-Y226 HydrophobicContact CD1-CG 4.36Å; L189-Y226 HydrophobicContact CD2-CD2 4.13Å; L189-Y226 HydrophobicContact CD2-CE2 4.02Å; L189-Y226 HydrophobicContact CG-CD1 4.49Å; L189-Y226 HydrophobicContact CG-CD2 4.45Å; L189-Y226 HydrophobicContact CG-CE2 4.49Å; L189-Y226 HydrophobicContact CG-CG 4.45Å; H190-Y226 PolarHBondContact CD2-O 2.97Å; Y193-Y226 VanDerWaalsContact CB-O 3.32Å; Y193-Y226 WeakPolarHBondContact CB-O 3.4Å; G222-Y226 VanDerWaalsContact O-CD2 3.25Å; G222-Y226 WeakPolarHBondContact O-CD2 3.21Å; G222-Y226 WeakPolarHBondContact O-CE2 3.39Å; C223-Y226 PolarHBondContact O-N 3.35Å; L224-Y226 VanDerWaalsContact C-N 3.31Å; Y226-P228 VanDerWaalsContact O-CD 3.27Å; Y226-P228 WeakPolarHBondContact O-CD 3.45Å; Y226-P233 HydrophobicContact CD1-CB 4Å; Y226-P233 HydrophobicContact CE1-CB 4.06Å; Y226-P233 HydrophobicContact CE1-CG 4.33Å
227D91.8Very high92.2Very high39 Ų3949.7 Ų49.721%0.20927%0.266CS..  trans-64117.7175.2-168.6-27.2000111.1Y193 E225 A229 L230Y193-D227 HydrophobicContact CD2-CB 4.15Å; Y193-D227 HydrophobicContact CE1-CB 4.35Å; Y193-D227 HydrophobicContact CE2-CB 3.55Å; Y193-D227 PolarHBondContact OH-OD2 3.23Å; E225-D227 PolarHBondContact O-N 3.1Å; D227-A229 PolarHBondContact O-N 3.37Å; D227-A229 VanDerWaalsContact O-N 3.08Å; D227-A229 VanDerWaalsContact OD1-CB 3.25Å; D227-A229 WeakPolarHBondContact OD1-CB 3.36Å; D227-A229 PolarHBondContact OD1-N 2.75Å; D227-L230 HydrophobicContact CB-CB 4.49Å; D227-L230 HydrophobicContact CB-CD1 4.06Å; D227-L230 HydrophobicContact CB-CG 4.1Å; D227-L230 PolarHBondContact O-N 3.3Å
228P89.8Confident91.9Very high52 Ų5253 Ų5334%0.33828%0.281SS..THydrogen-bonded Turntrans-61.4-19.2179.5-2132.1000113.9H190 Y193 E194 Y226 L230H190-P228 HydrophobicContact CB-CB 4.45Å; H190-P228 HydrophobicContact CB-CG 3.81Å; Y193-P228 HydrophobicContact CD1-CG 4.25Å; E194-P228 HydrophobicContact CG-CG 4.47Å; Y226-P228 VanDerWaalsContact O-CD 3.27Å; Y226-P228 WeakPolarHBondContact O-CD 3.45Å; P228-L230 VanDerWaalsContact C-N 3.28Å
229A88Confident91.7Very high87 Ų8754.4 Ų54.472%0.71929%0.286SS*.THydrogen-bonded Turntrans-76.8-13.9177.200000113.3D227D227-A229 PolarHBondContact O-N 3.37Å; D227-A229 VanDerWaalsContact O-N 3.08Å; D227-A229 VanDerWaalsContact OD1-CB 3.25Å; D227-A229 WeakPolarHBondContact OD1-CB 3.36Å; D227-A229 PolarHBondContact OD1-N 2.75Å
230L87.4Confident91.4Very high67 Ų6753.6 Ų53.635%0.35128%0.282SS..SBendtrans-105.1145.4-179-59.5179.2000110.9D227 P228 R234D227-L230 HydrophobicContact CB-CB 4.49Å; D227-L230 HydrophobicContact CB-CD1 4.06Å; D227-L230 HydrophobicContact CB-CG 4.1Å; D227-L230 PolarHBondContact O-N 3.3Å; P228-L230 VanDerWaalsContact C-N 3.28Å; L230-R234 HydrophobicContact CD1-CG 3.76Å
231S83.1Confident91Very high129 Ų12957.9 Ų57.990%0.90231%0.308SS*.SBendtrans-76.6-22.3179.955.60000113.9
232Q86.3Confident90.5Very high153 Ų15364.6 Ų64.672%0.71534%0.337SS*.SBendtrans-135.5145175.9-72.3-171.2-1100109.1
233P86.3Confident89.8Confident70 Ų7067.6 Ų67.646%0.45536%0.356SS..  trans-65.2142.1178.427.7-34000110.6E225 Y226E225-P233 HydrophobicContact CB-CB 4.45Å; E225-P233 CarbonylContact O-C 3.56Å; E225-P233 WeakPolarHBondContact O-CA 2.97Å; E225-P233 WeakPolarHBondContact O-CB 3.39Å; Y226-P233 HydrophobicContact CD1-CB 4Å; Y226-P233 HydrophobicContact CE1-CB 4.06Å; Y226-P233 HydrophobicContact CE1-CG 4.33Å
234R87.6Confident89.1Confident122 Ų12268.4 Ų68.446%0.4636%0.363SS..  trans-72.6144.3172.1-72.2-171.2173.1-169.1-2.4109.7E225 L230 H236 M273E225-R234 WeakPolarHBondContact CB-O 3.41Å; E225-R234 VanDerWaalsContact CD-O 3.24Å; E225-R234 WeakPolarHBondContact CG-O 3.46Å; E225-R234 PolarHBondContact O-N 3.2Å; L230-R234 HydrophobicContact CD1-CG 3.76Å; R234-H236 VanDerWaalsContact C-N 3.34Å; R234-H236 WeakPolarHBondContact CB-NE2 3.28Å; R234-H236 VanDerWaalsContact CD-CE1 3.46Å; R234-H236 WeakPolarHBondContact CD-CE1 3.43Å; R234-H236 VanDerWaalsContact CD-NE2 3.31Å; R234-H236 WeakPolarHBondContact CD-NE2 3.28Å; R234-H236 PolarHBondContact O-N 3.29Å; R234-M273 PolarHBondContact NH1-O 3.37Å
235K90.9Very high88.5Confident142 Ų14274.8 Ų74.862%0.61739%0.39SS*.  trans-94.755.2-177.3-65.7174.7168.2-175.50112E238 F239K235-E238 HydrophobicContact CB-CB 4.08Å; K235-E238 WeakPolarHBondContact CD-OE2 3.25Å; K235-E238 PolarHBondContact O-N 3.32Å; K235-F239 PolarHBondContact O-N 3.01Å
236H92.8Very high88.1Confident7 Ų776.7 Ų76.73%0.03240%0.398CS..Hα-helixtrans-64.3-45.5-176-66.3-51.3000113.3I221 E225 R234 E238 F239 L240 Y269I221-H236 HydrophobicContact CG2-CB 3.52Å; E225-H236 HydrophobicContact CG-CB 4.02Å; E225-H236 PolarHBondContact OE1-N 3.44Å; R234-H236 VanDerWaalsContact C-N 3.34Å; R234-H236 WeakPolarHBondContact CB-NE2 3.28Å; R234-H236 VanDerWaalsContact CD-CE1 3.46Å; R234-H236 WeakPolarHBondContact CD-CE1 3.43Å; R234-H236 VanDerWaalsContact CD-NE2 3.31Å; R234-H236 WeakPolarHBondContact CD-NE2 3.28Å; R234-H236 PolarHBondContact O-N 3.29Å; H236-E238 VanDerWaalsContact C-N 3.33Å; H236-E238 PolarHBondContact O-N 3.32Å; H236-F239 PolarHBondContact O-N 2.53Å; H236-L240 WeakPolarHBondContact O-CB 3.48Å; H236-L240 WeakPolarHBondContact O-CG 3.36Å; H236-L240 PolarHBondContact O-N 3.37Å; H236-Y269 HydrophobicContact CB-CE1 4.02Å; H236-Y269 AromaticContact CG-CE1 3.94Å; H236-Y269 AromaticContact ND1-CE1 3.4Å; H236-Y269 WeakPolarHBondContact ND1-CE1 3.39Å; H236-Y269 AromaticContact ND1-CZ 3.58Å; H236-Y269 PolarHBondContact ND1-OH 2.88Å
237R93.9Very high87.8Confident53 Ų5379.5 Ų79.520%0.241%0.411CS..Hα-helixtrans-62.7-41176.7-67.5-176-69.7174.9-0.7110.9E181 M218 I221 E225 L240 T241E181-R237 IonicContact OE1-CZ 2.96Å; E181-R237 VanDerWaalsContact OE1-CZ 3.28Å; E181-R237 IonicContact OE1-NH1 3.94Å; E181-R237 PolarHBondContact OE1-NH1 2.99Å; E181-R237 VanDerWaalsContact OE1-NH1 3.08Å; E181-R237 IonicContact OE1-NH2 2.87Å; E181-R237 PolarHBondContact OE1-NH2 3.41Å; E181-R237 IonicContact OE2-CZ 3.99Å; E181-R237 IonicContact OE2-NH1 3.99Å; E181-R237 PolarHBondContact OE2-NH1 3.08Å; E181-R237 IonicContact OE2-NH2 3.53Å; M218-R237 HydrophobicContact CE-CB 3.92Å; M218-R237 HydrophobicContact CE-CG 3.9Å; M218-R237 WeakPolarHBondContact O-CD 3.47Å; I221-R237 HydrophobicContact CB-CG 4.37Å; I221-R237 HydrophobicContact CG2-CG 3.9Å; E225-R237 WeakPolarHBondContact OE1-CB 3.36Å; E225-R237 PolarHBondContact OE1-N 3.15Å; E225-R237 IonicContact OE1-NE 2.74Å; E225-R237 IonicContact OE2-CZ 2.73Å; E225-R237 VanDerWaalsContact OE2-CZ 3.3Å; E225-R237 IonicContact OE2-NE 3.26Å; E225-R237 PolarHBondContact OE2-NE 2.95Å; E225-R237 IonicContact OE2-NH2 3.79Å; E225-R237 PolarHBondContact OE2-NH2 3.21Å; R237-L240 PolarHBondContact O-N 3.07Å; R237-T241 WeakPolarHBondContact O-CB 3.38Å; R237-T241 VanDerWaalsContact O-CG2 3.26Å; R237-T241 WeakPolarHBondContact O-CG2 3.38Å; R237-T241 PolarHBondContact O-N 2.88Å; R237-T241 PolarHBondContact O-OG1 3.33Å
238E91.7Very high87.6Confident70 Ų7080.9 Ų80.933%0.32742%0.416SS..Hα-helixtrans-63.2-47.3176.9179.5160.5-146.900111.3K235 H236 L240 T241 K242K235-E238 HydrophobicContact CB-CB 4.08Å; K235-E238 WeakPolarHBondContact CD-OE2 3.25Å; K235-E238 PolarHBondContact O-N 3.32Å; H236-E238 VanDerWaalsContact C-N 3.33Å; H236-E238 PolarHBondContact O-N 3.32Å; E238-L240 PolarHBondContact O-N 3.19Å; E238-T241 PolarHBondContact O-N 3.04Å; E238-T241 PolarHBondContact O-OG1 3.45Å; E238-K242 HydrophobicContact CG-CB 4.45Å; E238-K242 HydrophobicContact CG-CD 3.91Å; E238-K242 HydrophobicContact CG-CG 4.3Å; E238-K242 WeakPolarHBondContact O-CB 3.48Å; E238-K242 PolarHBondContact O-N 3.11Å; E238-K242 IonicContact OE1-NZ 3.38Å; E238-K242 PolarHBondContact OE1-NZ 3.49Å
239F91.5Very high87.6Confident71 Ų7179.4 Ų79.431%0.31141%0.407SS..Iπ-helixtrans-56.3-50.2175.7176.6-94.5000111.5K235 H236 T241 T243 A244 Y269K235-F239 PolarHBondContact O-N 3.01Å; H236-F239 PolarHBondContact O-N 2.53Å; F239-T241 VanDerWaalsContact C-N 3.27Å; F239-T241 PolarHBondContact O-N 2.98Å; F239-T243 HydrophobicContact CD2-CG2 3.84Å; F239-T243 HydrophobicContact CE2-CG2 3.81Å; F239-T243 WeakPolarHBondContact O-CA 3.21Å; F239-T243 WeakPolarHBondContact O-CB 3.47Å; F239-T243 PolarHBondContact O-N 3.3Å; F239-A244 HydrophobicContact CE1-CB 4.46Å; F239-A244 WeakPolarHBondContact O-CB 3.34Å; F239-A244 PolarHBondContact O-N 2.84Å; F239-Y269 HydrophobicContact CD1-CD2 4.11Å; F239-Y269 AromaticContact CD1-CE2 3.36Å; F239-Y269 HydrophobicContact CD1-CE2 3.36Å; F239-Y269 AromaticContact CD1-CZ 3.81Å; F239-Y269 AromaticContact CE1-CD2 3.88Å; F239-Y269 HydrophobicContact CE1-CD2 3.88Å; F239-Y269 AromaticContact CE1-CE2 3.39Å; F239-Y269 HydrophobicContact CE1-CE2 3.39Å; F239-Y269 HydrophobicContact CG-CE2 4.34Å; F239-Y269 HydrophobicContact CZ-CE2 4.37Å
240L90.5Very high87.7Confident16 Ų1675.5 Ų75.58%0.08437%0.373CS..Iπ-helixtrans-70.6-18.2-176.8-69.4172.2000114.4I221 H236 R237 E238 Y265 R266 Y269I221-L240 HydrophobicContact CD1-CD1 3.6Å; I221-L240 HydrophobicContact CG2-CD1 4.23Å; H236-L240 WeakPolarHBondContact O-CB 3.48Å; H236-L240 WeakPolarHBondContact O-CG 3.36Å; H236-L240 PolarHBondContact O-N 3.37Å; R237-L240 PolarHBondContact O-N 3.07Å; E238-L240 PolarHBondContact O-N 3.19Å; L240-Y265 HydrophobicContact CD2-CD1 4.08Å; L240-Y265 HydrophobicContact CD2-CE1 3.48Å; L240-Y265 VanDerWaalsContact CD2-CE1 3.48Å; L240-R266 HydrophobicContact CD1-CG 4.45Å; L240-Y269 HydrophobicContact CD1-CD1 3.89Å; L240-Y269 HydrophobicContact CD1-CE1 4.22Å; L240-Y269 HydrophobicContact CD1-CG 4.33Å; L240-Y269 HydrophobicContact CD2-CD1 4.21Å; L240-Y269 HydrophobicContact CD2-CD2 3.98Å; L240-Y269 HydrophobicContact CD2-CE2 4.45Å; L240-Y269 HydrophobicContact CD2-CG 3.84Å; L240-Y269 HydrophobicContact CG-CD1 4.27Å; L240-Y269 HydrophobicContact CG-CE1 4.41Å; L240-Y269 HydrophobicContact CG-CG 4.39Å
241T88.9Confident87.9Confident89 Ų8976.8 Ų76.855%0.54639%0.386SS..Iπ-helixtrans-105.8-33.4-178.355.10000113.8M218 R237 E238 F239M218-T241 HydrophobicContact CE-CG2 3.58Å; R237-T241 WeakPolarHBondContact O-CB 3.38Å; R237-T241 VanDerWaalsContact O-CG2 3.26Å; R237-T241 WeakPolarHBondContact O-CG2 3.38Å; R237-T241 PolarHBondContact O-N 2.88Å; R237-T241 PolarHBondContact O-OG1 3.33Å; E238-T241 PolarHBondContact O-N 3.04Å; E238-T241 PolarHBondContact O-OG1 3.45Å; F239-T241 VanDerWaalsContact C-N 3.27Å; F239-T241 PolarHBondContact O-N 2.98Å
242K85.3Confident88.2Confident142 Ų14271.5 Ų71.562%0.61735%0.347SS*.Iπ-helixtrans-108.6-38.7-175.4-58.6-169.5-164162.10113.4E238E238-K242 HydrophobicContact CG-CB 4.45Å; E238-K242 HydrophobicContact CG-CD 3.91Å; E238-K242 HydrophobicContact CG-CG 4.3Å; E238-K242 WeakPolarHBondContact O-CB 3.48Å; E238-K242 PolarHBondContact O-N 3.11Å; E238-K242 IonicContact OE1-NZ 3.38Å; E238-K242 PolarHBondContact OE1-NZ 3.49Å
243T80Confident88.4Confident62 Ų6268.2 Ų68.238%0.3834%0.341SS..Iπ-helixtrans-89.8-47.5-174.7-48.50000111.4F239 K245F239-T243 HydrophobicContact CD2-CG2 3.84Å; F239-T243 HydrophobicContact CE2-CG2 3.81Å; F239-T243 WeakPolarHBondContact O-CA 3.21Å; F239-T243 WeakPolarHBondContact O-CB 3.47Å; F239-T243 PolarHBondContact O-N 3.3Å; T243-K245 PolarHBondContact O-N 2.98Å
244A81.6Confident88.7Confident18 Ų1867.4 Ų67.415%0.14933%0.333CS..  trans-67.3105.4-179.700000111.2F239 Y265 Y806F239-A244 HydrophobicContact CE1-CB 4.46Å; F239-A244 WeakPolarHBondContact O-CB 3.34Å; F239-A244 PolarHBondContact O-N 2.84Å; A244-Y265 HydrophobicContact CB-CE1 3.9Å; A244-Y806 HydrophobicContact CB-CD1 3.75Å; A244-Y806 HydrophobicContact CB-CE1 3.72Å
245K82.7Confident89Confident137 Ų13766.2 Ų66.260%0.59634%0.341SS*.  trans-92.9110.9177.7-68.7172.4-171.6159.80111.6T243 K247 Y806T243-K245 PolarHBondContact O-N 2.98Å; K245-K247 PolarHBondContact O-N 3.49Å; K245-Y806 VanDerWaalsContact O-CD1 3.25Å; K245-Y806 WeakPolarHBondContact O-CD1 3.25Å; K245-Y806 WeakPolarHBondContact O-CE1 3.29Å
246F86.9Confident89.1Confident53 Ų5365 Ų6523%0.23234%0.337CS..  trans-71.1115.5171.7-179.9-121.9000110.5E248 I252 I261 H262 V804F246-E248 HydrophobicContact CD1-CG 3.97Å; F246-E248 HydrophobicContact CE1-CG 3.37Å; F246-E248 HydrophobicContact CZ-CG 3.86Å; F246-I252 HydrophobicContact CZ-CD1 4.23Å; F246-I261 HydrophobicContact CE2-CG2 3.72Å; F246-I261 HydrophobicContact CZ-CG2 4.38Å; F246-H262 AromaticContact CD1-CE1 3.57Å; F246-H262 AromaticContact CD1-NE2 3.83Å; F246-H262 AromaticContact CD2-CE1 3.81Å; F246-H262 AromaticContact CG-CE1 3.39Å; F246-H262 WeakPolarHBondContact CG-CE1 3.36Å; F246-V804 HydrophobicContact CD2-CG1 4Å; F246-V804 HydrophobicContact CE2-CG1 4.13Å; F246-V804 HydrophobicContact CE2-CG2 4.24Å
247K86.3Confident89.2Confident90 Ų9064.7 Ų64.739%0.39134%0.336SS..  trans-105.5113-177.5-172.7178.3-178.1178.60110.9K245 V249 E330K245-K247 PolarHBondContact O-N 3.49Å; K247-V249 PolarHBondContact O-N 3.27Å; K247-E330 WeakPolarHBondContact CE-OE1 3.37Å; K247-E330 IonicContact NZ-OE1 3.08Å; K247-E330 PolarHBondContact NZ-OE1 2.63Å; K247-E330 IonicContact NZ-OE2 2.91Å
248E88.6Confident89.2Confident68 Ų6864.9 Ų64.932%0.31834%0.339SS..  trans-89.4100.8173.8-65.8-177.7-124.500109.5F246 I250 P251 I252 K258F246-E248 HydrophobicContact CD1-CG 3.97Å; F246-E248 HydrophobicContact CE1-CG 3.37Å; F246-E248 HydrophobicContact CZ-CG 3.86Å; E248-I250 PolarHBondContact O-N 2.84Å; E248-P251 WeakPolarHBondContact OE2-CA 3.41Å; E248-I252 PolarHBondContact OE2-N 3.26Å; E248-K258 WeakPolarHBondContact OE1-CE 3.44Å; E248-K258 IonicContact OE1-NZ 3.8Å; E248-K258 PolarHBondContact OE1-NZ 3.22Å; E248-K258 VanDerWaalsContact OE2-CE 3.23Å; E248-K258 WeakPolarHBondContact OE2-CE 3.37Å; E248-K258 IonicContact OE2-NZ 3.3Å; E248-K258 PolarHBondContact OE2-NZ 3.44Å
249V89Confident89.2Confident22 Ų2265.6 Ų65.613%0.13334%0.342CS..SBendtrans-61.9-39.5173.6-176.90000109.9K247 K327 E330 L331 F334K247-V249 PolarHBondContact O-N 3.27Å; V249-K327 VanDerWaalsContact O-CE 3.26Å; V249-K327 WeakPolarHBondContact O-CE 3.38Å; V249-K327 PolarHBondContact O-NZ 3.34Å; V249-E330 HydrophobicContact CG1-CB 3.88Å; V249-E330 HydrophobicContact CG2-CB 4.13Å; V249-L331 HydrophobicContact CG1-CB 4.43Å; V249-L331 HydrophobicContact CG1-CD2 3.54Å; V249-L331 HydrophobicContact CG1-CG 3.85Å; V249-F334 HydrophobicContact CB-CB 4.44Å; V249-F334 HydrophobicContact CG1-CB 4.47Å; V249-F334 HydrophobicContact CG2-CB 4.27Å
250I90.2Very high89.4Confident4 Ų463.8 Ų63.82%0.02133%0.334CS..SBendtrans-126.7135.7169-63.9169.9000107.1E248 I252 F310 D313 L314 L331E248-I250 PolarHBondContact O-N 2.84Å; I250-I252 PolarHBondContact O-N 3.04Å; I250-I252 VanDerWaalsContact O-N 3.13Å; I250-F310 HydrophobicContact CB-CD2 3.96Å; I250-F310 HydrophobicContact CB-CE2 3.48Å; I250-F310 VanDerWaalsContact CB-CE2 3.48Å; I250-F310 HydrophobicContact CB-CZ 3.91Å; I250-F310 HydrophobicContact CD1-CE1 4.38Å; I250-F310 HydrophobicContact CD1-CE2 4.5Å; I250-F310 HydrophobicContact CD1-CZ 4.23Å; I250-F310 HydrophobicContact CG2-CD2 3.55Å; I250-F310 HydrophobicContact CG2-CE2 3.65Å; I250-F310 HydrophobicContact CG2-CG 4.25Å; I250-F310 HydrophobicContact CG2-CZ 4.38Å; I250-D313 HydrophobicContact CG2-CB 4.44Å; I250-L314 HydrophobicContact CD1-CB 3.3Å; I250-L314 HydrophobicContact CD1-CD1 3.57Å; I250-L314 HydrophobicContact CD1-CG 3.96Å; I250-L331 HydrophobicContact CD1-CD2 3.85Å; I250-L331 HydrophobicContact CG1-CD2 3.79Å
251P91.1Very high89.5Confident94 Ų9463.6 Ų63.661%0.6133%0.333SS*.  trans-57.4119.3179.3-24.834.4000111.6E248E248-P251 WeakPolarHBondContact OE2-CA 3.41Å
252I91.2Very high89.8Confident18 Ų1861.7 Ų61.79%0.09232%0.317CS..  trans-81.1123.1175.2-61.2172.8000107.4F246 E248 I250 L257 K258 I261 F310F246-I252 HydrophobicContact CZ-CD1 4.23Å; E248-I252 PolarHBondContact OE2-N 3.26Å; I250-I252 PolarHBondContact O-N 3.04Å; I250-I252 VanDerWaalsContact O-N 3.13Å; I252-L257 HydrophobicContact CG2-CB 4.12Å; I252-L257 HydrophobicContact CG2-CD2 3.69Å; I252-L257 HydrophobicContact CG2-CG 3.92Å; I252-K258 HydrophobicContact CB-CG 4.07Å; I252-K258 HydrophobicContact CG2-CG 3.84Å; I252-K258 WeakPolarHBondContact O-CE 3.4Å; I252-K258 PolarHBondContact O-NZ 3.26Å; I252-I261 HydrophobicContact CD1-CD1 3.52Å; I252-F310 HydrophobicContact CG1-CD2 4.49Å; I252-F310 HydrophobicContact CG1-CE2 3.99Å
253S90.2Very high90.3Very high85 Ų8556.4 Ų56.459%0.59430%0.295SS*.  trans-85.3-29.7-177.5-63.20000112.5P255S253-P255 WeakPolarHBondContact O-CD 3.48Å
254D92.1Very high91Very high53 Ų5353.9 Ų53.928%0.28328%0.28SS..  trans-82.5116.5-176.8-177.78.1000111.8E256 L257 K258 M303D254-E256 VanDerWaalsContact C-N 3.3Å; D254-E256 PolarHBondContact O-N 2.93Å; D254-E256 WeakPolarHBondContact OD1-CB 3.46Å; D254-E256 PolarHBondContact OD1-N 2.67Å; D254-L257 HydrophobicContact CB-CB 3.99Å; D254-L257 PolarHBondContact O-N 2.87Å; D254-K258 PolarHBondContact O-N 3.11Å; D254-M303 WeakPolarHBondContact OD2-CE 3.49Å
255P93Very high91.6Very high97 Ų9755.5 Ų55.563%0.6328%0.282SS*.Hα-helixtrans-65.4-30.1176.327.7-35.2000113.3S253 K258 Q259S253-P255 WeakPolarHBondContact O-CD 3.48Å; P255-K258 PolarHBondContact O-N 3.12Å; P255-Q259 WeakPolarHBondContact O-CB 3.33Å; P255-Q259 PolarHBondContact O-N 3.11Å
256E94.2Very high92.2Very high115 Ų11551.6 Ų51.654%0.53726%0.264SS..Hα-helixtrans-66.7-44.5179.2-174.3172.6-171.100110.3D254 K258 Q259 K260 M303D254-E256 VanDerWaalsContact C-N 3.3Å; D254-E256 PolarHBondContact O-N 2.93Å; D254-E256 WeakPolarHBondContact OD1-CB 3.46Å; D254-E256 PolarHBondContact OD1-N 2.67Å; E256-K258 PolarHBondContact O-N 3.18Å; E256-Q259 WeakPolarHBondContact O-CB 3.5Å; E256-Q259 PolarHBondContact O-N 3.24Å; E256-K260 WeakPolarHBondContact O-CB 3.49Å; E256-K260 PolarHBondContact O-N 3.1Å; E256-M303 HydrophobicContact CB-CE 4.06Å; E256-M303 HydrophobicContact CG-CE 3.99Å
257L94.2Very high92.5Very high2 Ų249 Ų491%0.0125%0.253CS..Hα-helixtrans-58.8-45.3173.3177.752.9000112I252 D254 Q259 K260 I261 I300 M303 L304I252-L257 HydrophobicContact CG2-CB 4.12Å; I252-L257 HydrophobicContact CG2-CD2 3.69Å; I252-L257 HydrophobicContact CG2-CG 3.92Å; D254-L257 HydrophobicContact CB-CB 3.99Å; D254-L257 PolarHBondContact O-N 2.87Å; L257-Q259 VanDerWaalsContact C-N 3.34Å; L257-Q259 PolarHBondContact O-N 3.02Å; L257-K260 WeakPolarHBondContact O-CB 3.36Å; L257-K260 PolarHBondContact O-N 2.93Å; L257-I261 HydrophobicContact CD1-CD1 3.99Å; L257-I261 HydrophobicContact CD1-CG1 4.18Å; L257-I261 HydrophobicContact CG-CD1 4.05Å; L257-I261 WeakPolarHBondContact O-CG1 3.41Å; L257-I261 PolarHBondContact O-N 3.02Å; L257-I300 HydrophobicContact CD1-CB 4.33Å; L257-I300 HydrophobicContact CD1-CG1 4.28Å; L257-I300 HydrophobicContact CD1-CG2 4.02Å; L257-M303 HydrophobicContact CB-CE 3.78Å; L257-M303 HydrophobicContact CB-SD 4.22Å; L257-M303 HydrophobicContact CD1-CB 3.87Å; L257-M303 HydrophobicContact CD1-SD 4.01Å; L257-M303 HydrophobicContact CD2-CB 4.26Å; L257-M303 HydrophobicContact CG-CB 4.47Å; L257-L304 HydrophobicContact CD1-CG 4.49Å; L257-L304 HydrophobicContact CD2-CD2 3.71Å; L257-L304 HydrophobicContact CD2-CG 3.96Å
258K93.3Very high92.9Very high57 Ų5746.1 Ų46.125%0.24824%0.24CC..Hα-helixtrans-58.8-46.9175.6-72-168.1-179.3-169.70111.7E248 I252 D254 P255 E256 K260 I261 H262E248-K258 WeakPolarHBondContact OE1-CE 3.44Å; E248-K258 IonicContact OE1-NZ 3.8Å; E248-K258 PolarHBondContact OE1-NZ 3.22Å; E248-K258 VanDerWaalsContact OE2-CE 3.23Å; E248-K258 WeakPolarHBondContact OE2-CE 3.37Å; E248-K258 IonicContact OE2-NZ 3.3Å; E248-K258 PolarHBondContact OE2-NZ 3.44Å; I252-K258 HydrophobicContact CB-CG 4.07Å; I252-K258 HydrophobicContact CG2-CG 3.84Å; I252-K258 WeakPolarHBondContact O-CE 3.4Å; I252-K258 PolarHBondContact O-NZ 3.26Å; D254-K258 PolarHBondContact O-N 3.11Å; P255-K258 PolarHBondContact O-N 3.12Å; E256-K258 PolarHBondContact O-N 3.18Å; K258-K260 VanDerWaalsContact C-N 3.28Å; K258-K260 PolarHBondContact O-N 3.39Å; K258-I261 PolarHBondContact O-N 3.39Å; K258-H262 PolarHBondContact O-CD2 3.33Å; K258-H262 PolarHBondContact O-N 3Å
259Q93.2Very high93.1Very high84 Ų8444.5 Ų44.539%0.39323%0.231SC..Hα-helixtrans-58.9-42.9178.3-168.4-168.613.700110.7E214 P255 E256 L257 H262 Q263E214-Q259 PolarHBondContact OE2-NE2 3.48Å; P255-Q259 WeakPolarHBondContact O-CB 3.33Å; P255-Q259 PolarHBondContact O-N 3.11Å; E256-Q259 WeakPolarHBondContact O-CB 3.5Å; E256-Q259 PolarHBondContact O-N 3.24Å; L257-Q259 VanDerWaalsContact C-N 3.34Å; L257-Q259 PolarHBondContact O-N 3.02Å; Q259-H262 PolarHBondContact O-N 3.02Å; Q259-Q263 WeakPolarHBondContact O-CB 3.38Å; Q259-Q263 PolarHBondContact O-N 3.34Å
260K94.5Very high93.2Very high34 Ų3443.4 Ų43.415%0.14823%0.225CC..Hα-helixtrans-63.7-43177.7-157.576.9175.3-155.70112.8E256 L257 K258 Q263 T264 N296 E299 I300E256-K260 WeakPolarHBondContact O-CB 3.49Å; E256-K260 PolarHBondContact O-N 3.1Å; L257-K260 WeakPolarHBondContact O-CB 3.36Å; L257-K260 PolarHBondContact O-N 2.93Å; K258-K260 VanDerWaalsContact C-N 3.28Å; K258-K260 PolarHBondContact O-N 3.39Å; K260-Q263 PolarHBondContact O-N 2.96Å; K260-T264 WeakPolarHBondContact O-CB 3.45Å; K260-T264 PolarHBondContact O-N 3.1Å; K260-T264 PolarHBondContact O-OG1 2.89Å; K260-N296 VanDerWaalsContact CE-CG 3.46Å; K260-N296 WeakPolarHBondContact CE-OD1 3.5Å; K260-E299 VanDerWaalsContact CE-OE1 3.3Å; K260-E299 WeakPolarHBondContact CE-OE1 3.5Å; K260-E299 WeakPolarHBondContact CE-OE2 3.24Å; K260-E299 IonicContact NZ-OE1 3.83Å; K260-E299 PolarHBondContact NZ-OE1 3.23Å; K260-E299 IonicContact NZ-OE2 3.28Å; K260-E299 PolarHBondContact NZ-OE2 2.76Å; K260-I300 HydrophobicContact CB-CG1 4.13Å; K260-I300 HydrophobicContact CG-CD1 4.26Å; K260-I300 HydrophobicContact CG-CG1 3.8Å
261I93.5Very high93.2Very high11 Ų1144.2 Ų44.26%0.05623%0.229CC..Hα-helixtrans-61.1-48.8176.1-67.9164.4000110.2F246 I252 L257 K258 Q263 T264 Y265 I300 V804F246-I261 HydrophobicContact CE2-CG2 3.72Å; F246-I261 HydrophobicContact CZ-CG2 4.38Å; I252-I261 HydrophobicContact CD1-CD1 3.52Å; L257-I261 HydrophobicContact CD1-CD1 3.99Å; L257-I261 HydrophobicContact CD1-CG1 4.18Å; L257-I261 HydrophobicContact CG-CD1 4.05Å; L257-I261 WeakPolarHBondContact O-CG1 3.41Å; L257-I261 PolarHBondContact O-N 3.02Å; K258-I261 PolarHBondContact O-N 3.39Å; I261-Q263 PolarHBondContact O-N 2.87Å; I261-T264 PolarHBondContact O-N 3.27Å; I261-Y265 PolarHBondContact O-N 3.04Å; I261-I300 HydrophobicContact CG1-CD1 3.98Å; I261-I300 HydrophobicContact CG1-CG1 4.11Å; I261-I300 HydrophobicContact CG1-CG2 4Å; I261-V804 HydrophobicContact CG2-CG2 3.84Å
262H94.3Very high93Very high49 Ų4943.3 Ų43.323%0.22722%0.219CC..Hα-helixtrans-62.3-43177.4-70-52.8000112.7F246 K258 Q259 T264 Y265 R266F246-H262 AromaticContact CD1-CE1 3.57Å; F246-H262 AromaticContact CD1-NE2 3.83Å; F246-H262 AromaticContact CD2-CE1 3.81Å; F246-H262 AromaticContact CG-CE1 3.39Å; F246-H262 WeakPolarHBondContact CG-CE1 3.36Å; K258-H262 PolarHBondContact O-CD2 3.33Å; K258-H262 PolarHBondContact O-N 3Å; Q259-H262 PolarHBondContact O-N 3.02Å; H262-T264 VanDerWaalsContact C-N 3.33Å; H262-T264 PolarHBondContact O-N 2.66Å; H262-Y265 PolarHBondContact O-N 3.36Å; H262-R266 WeakPolarHBondContact O-CB 3.23Å; H262-R266 WeakPolarHBondContact O-CD 3.49Å; H262-R266 WeakPolarHBondContact O-CG 3.39Å; H262-R266 PolarHBondContact O-N 3.38Å
263Q95.9Very high92.7Very high31 Ų3147.1 Ų47.115%0.14524%0.237CC..Hα-helixtrans-58.1-48.8175.2-176.7-173.562.500110.1F212 I217 Q259 K260 I261 Y265 R266 V267 F292 N296F212-Q263 HydrophobicContact CB-CG 4.34Å; F212-Q263 PolarHBondContact O-NE2 2.73Å; I217-Q263 HydrophobicContact CD1-CG 4.48Å; Q259-Q263 WeakPolarHBondContact O-CB 3.38Å; Q259-Q263 PolarHBondContact O-N 3.34Å; K260-Q263 PolarHBondContact O-N 2.96Å; I261-Q263 PolarHBondContact O-N 2.87Å; Q263-Y265 PolarHBondContact O-N 3.25Å; Q263-R266 PolarHBondContact O-N 3.3Å; Q263-V267 HydrophobicContact CG-CG2 4.21Å; Q263-V267 WeakPolarHBondContact O-CB 3.22Å; Q263-V267 WeakPolarHBondContact O-CG2 3.38Å; Q263-V267 PolarHBondContact O-N 2.82Å; Q263-F292 HydrophobicContact CG-CE1 4.45Å; Q263-N296 PolarHBondContact OE1-ND2 2.94Å
264T94.5Very high92.2Very high9 Ų944 Ų446%0.05521%0.214CC..Hα-helixtrans-60.7-45.8-178.9-53.10000111.9K260 I261 H262 V267 Q268 I293 N296 K297 I300K260-T264 WeakPolarHBondContact O-CB 3.45Å; K260-T264 PolarHBondContact O-N 3.1Å; K260-T264 PolarHBondContact O-OG1 2.89Å; I261-T264 PolarHBondContact O-N 3.27Å; H262-T264 VanDerWaalsContact C-N 3.33Å; H262-T264 PolarHBondContact O-N 2.66Å; T264-V267 PolarHBondContact O-N 2.96Å; T264-Q268 VanDerWaalsContact O-CB 3.3Å; T264-Q268 WeakPolarHBondContact O-CB 3.45Å; T264-Q268 PolarHBondContact O-N 2.73Å; T264-I293 HydrophobicContact CG2-CG2 4.34Å; T264-N296 HydrophobicContact CG2-CB 4.17Å; T264-N296 VanDerWaalsContact OG1-CB 3.26Å; T264-N296 WeakPolarHBondContact OG1-CB 3.36Å; T264-N296 PolarHBondContact OG1-ND2 3.1Å; T264-K297 HydrophobicContact CG2-CG 4.19Å; T264-I300 HydrophobicContact CG2-CD1 4.31Å; T264-I300 WeakPolarHBondContact OG1-CD1 3.35Å
265Y94.3Very high91.6Very high52 Ų5242.3 Ų42.320%0.20421%0.205CC..Hα-helixtrans-60.7-46.4176.7177.1-107000112L240 A244 I261 H262 Q263 Q268 Y269 Y806L240-Y265 HydrophobicContact CD2-CD1 4.08Å; L240-Y265 HydrophobicContact CD2-CE1 3.48Å; L240-Y265 VanDerWaalsContact CD2-CE1 3.48Å; A244-Y265 HydrophobicContact CB-CE1 3.9Å; I261-Y265 PolarHBondContact O-N 3.04Å; H262-Y265 PolarHBondContact O-N 3.36Å; Q263-Y265 PolarHBondContact O-N 3.25Å; Y265-Q268 PolarHBondContact O-N 2.94Å; Y265-Y269 WeakPolarHBondContact O-CB 3.39Å; Y265-Y269 PolarHBondContact O-N 3.2Å; Y265-Y806 HydrophobicContact CD1-CE2 4.16Å; Y265-Y806 AromaticContact CD2-CD2 3.78Å; Y265-Y806 HydrophobicContact CD2-CD2 3.78Å; Y265-Y806 AromaticContact CD2-CE2 3.5Å; Y265-Y806 HydrophobicContact CD2-CE2 3.5Å; Y265-Y806 HydrophobicContact CE1-CD1 4.5Å; Y265-Y806 HydrophobicContact CE1-CD2 4.47Å; Y265-Y806 HydrophobicContact CE1-CE1 4.15Å; Y265-Y806 HydrophobicContact CE1-CE2 4.14Å; Y265-Y806 AromaticContact CE1-CZ 3.97Å; Y265-Y806 HydrophobicContact CE2-CD1 4.49Å; Y265-Y806 AromaticContact CE2-CD2 3.32Å; Y265-Y806 HydrophobicContact CE2-CD2 3.32Å; Y265-Y806 AromaticContact CE2-CE2 3.49Å; Y265-Y806 HydrophobicContact CE2-CE2 3.49Å; Y265-Y806 VanDerWaalsContact CE2-CE2 3.49Å; Y265-Y806 AromaticContact CE2-CG 3.88Å; Y265-Y806 HydrophobicContact CE2-CG 3.88Å; Y265-Y806 AromaticContact CG-CE2 3.85Å; Y265-Y806 HydrophobicContact CG-CE2 3.85Å; Y265-Y806 AromaticContact CZ-CD2 3.73Å; Y265-Y806 AromaticContact CZ-CE2 3.82Å; Y265-Y806 AromaticContact CZ-CG 3.85Å
266R95.1Very high90.4Very high55 Ų5541.4 Ų41.421%0.20820%0.2CC..Hα-helixtrans-64.8-42.2179.2-69.7167.8-173.7165.32.7112.1I217 I221 L240 H262 Q263 Y269 I270I217-R266 HydrophobicContact CD1-CB 3.51Å; I217-R266 HydrophobicContact CD1-CG 4.39Å; I217-R266 HydrophobicContact CG1-CB 4.27Å; I221-R266 HydrophobicContact CD1-CB 4.35Å; L240-R266 HydrophobicContact CD1-CG 4.45Å; H262-R266 WeakPolarHBondContact O-CB 3.23Å; H262-R266 WeakPolarHBondContact O-CD 3.49Å; H262-R266 WeakPolarHBondContact O-CG 3.39Å; H262-R266 PolarHBondContact O-N 3.38Å; Q263-R266 PolarHBondContact O-N 3.3Å; R266-Y269 WeakPolarHBondContact O-CB 3.31Å; R266-Y269 PolarHBondContact O-N 3.44Å; R266-I270 WeakPolarHBondContact O-CG1 3.39Å; R266-I270 PolarHBondContact O-N 3Å
267V94.9Very high88.9Confident0 Ų040.1 Ų40.10%020%0.2CC..Hα-helixtrans-66.7-40.2177.7178.90000110.9F212 I217 Q263 T264 I270 Q271 L289 F292 I293F212-V267 HydrophobicContact CB-CG2 3.85Å; F212-V267 HydrophobicContact CD1-CG2 3.7Å; F212-V267 HydrophobicContact CD2-CG1 4.09Å; F212-V267 HydrophobicContact CD2-CG2 3.68Å; F212-V267 HydrophobicContact CE1-CG1 4.38Å; F212-V267 HydrophobicContact CE1-CG2 4.14Å; F212-V267 HydrophobicContact CE2-CG1 3.74Å; F212-V267 HydrophobicContact CE2-CG2 4.11Å; F212-V267 HydrophobicContact CG-CG2 3.47Å; F212-V267 VanDerWaalsContact CG-CG2 3.47Å; F212-V267 HydrophobicContact CZ-CG1 3.92Å; F212-V267 HydrophobicContact CZ-CG2 4.34Å; I217-V267 HydrophobicContact CD1-CG2 4Å; Q263-V267 HydrophobicContact CG-CG2 4.21Å; Q263-V267 WeakPolarHBondContact O-CB 3.22Å; Q263-V267 WeakPolarHBondContact O-CG2 3.38Å; Q263-V267 PolarHBondContact O-N 2.82Å; T264-V267 PolarHBondContact O-N 2.96Å; V267-I270 PolarHBondContact O-N 3.44Å; V267-Q271 PolarHBondContact O-N 3.47Å; V267-L289 HydrophobicContact CG1-CD1 3.45Å; V267-L289 VanDerWaalsContact CG1-CD1 3.45Å; V267-F292 HydrophobicContact CG1-CD1 4.15Å; V267-F292 HydrophobicContact CG2-CE1 4.18Å; V267-I293 HydrophobicContact CB-CG1 4.27Å; V267-I293 HydrophobicContact CG1-CD1 3.97Å; V267-I293 HydrophobicContact CG1-CG1 3.64Å
268Q92.9Very high87.1Confident28 Ų2842.7 Ų42.713%0.13122%0.216CC..Hα-helixtrans-63.6-41.7173.4-176167.4-4.300111.5T264 Y265 I270 Q271 D272 I293T264-Q268 VanDerWaalsContact O-CB 3.3Å; T264-Q268 WeakPolarHBondContact O-CB 3.45Å; T264-Q268 PolarHBondContact O-N 2.73Å; Y265-Q268 PolarHBondContact O-N 2.94Å; Q268-I270 VanDerWaalsContact C-N 3.35Å; Q268-I270 PolarHBondContact O-N 2.81Å; Q268-Q271 WeakPolarHBondContact O-CB 3.29Å; Q268-Q271 PolarHBondContact O-N 2.82Å; Q268-Q271 VanDerWaalsContact O-N 3.16Å; Q268-D272 VanDerWaalsContact CG-OD2 3.28Å; Q268-D272 WeakPolarHBondContact CG-OD2 3.5Å; Q268-D272 PolarHBondContact NE2-OD2 3.05Å; Q268-D272 WeakPolarHBondContact O-CB 3.39Å; Q268-D272 PolarHBondContact O-N 3.39Å; Q268-I293 HydrophobicContact CB-CD1 4.32Å
269Y93.3Very high85.1Confident34 Ų3444.1 Ų44.113%0.13323%0.234CC..Hα-helixtrans-59.4-43.4173.6-177.5-86.7000112.3H236 F239 L240 Y265 R266 Q271 D272 M273 V274H236-Y269 HydrophobicContact CB-CE1 4.02Å; H236-Y269 AromaticContact CG-CE1 3.94Å; H236-Y269 AromaticContact ND1-CE1 3.4Å; H236-Y269 WeakPolarHBondContact ND1-CE1 3.39Å; H236-Y269 AromaticContact ND1-CZ 3.58Å; H236-Y269 PolarHBondContact ND1-OH 2.88Å; F239-Y269 HydrophobicContact CD1-CD2 4.11Å; F239-Y269 AromaticContact CD1-CE2 3.36Å; F239-Y269 HydrophobicContact CD1-CE2 3.36Å; F239-Y269 AromaticContact CD1-CZ 3.81Å; F239-Y269 AromaticContact CE1-CD2 3.88Å; F239-Y269 HydrophobicContact CE1-CD2 3.88Å; F239-Y269 AromaticContact CE1-CE2 3.39Å; F239-Y269 HydrophobicContact CE1-CE2 3.39Å; F239-Y269 HydrophobicContact CG-CE2 4.34Å; F239-Y269 HydrophobicContact CZ-CE2 4.37Å; L240-Y269 HydrophobicContact CD1-CD1 3.89Å; L240-Y269 HydrophobicContact CD1-CE1 4.22Å; L240-Y269 HydrophobicContact CD1-CG 4.33Å; L240-Y269 HydrophobicContact CD2-CD1 4.21Å; L240-Y269 HydrophobicContact CD2-CD2 3.98Å; L240-Y269 HydrophobicContact CD2-CE2 4.45Å; L240-Y269 HydrophobicContact CD2-CG 3.84Å; L240-Y269 HydrophobicContact CG-CD1 4.27Å; L240-Y269 HydrophobicContact CG-CE1 4.41Å; L240-Y269 HydrophobicContact CG-CG 4.39Å; Y265-Y269 WeakPolarHBondContact O-CB 3.39Å; Y265-Y269 PolarHBondContact O-N 3.2Å; R266-Y269 WeakPolarHBondContact O-CB 3.31Å; R266-Y269 PolarHBondContact O-N 3.44Å; Y269-Q271 VanDerWaalsContact C-N 3.33Å; Y269-Q271 PolarHBondContact O-N 2.86Å; Y269-D272 PolarHBondContact O-N 3.41Å; Y269-M273 HydrophobicContact CD1-CB 4.33Å; Y269-M273 HydrophobicContact CD2-CB 4.39Å; Y269-M273 HydrophobicContact CD2-CG 3.81Å; Y269-M273 HydrophobicContact CE1-CB 4.04Å; Y269-M273 HydrophobicContact CE1-CG 4.43Å; Y269-M273 HydrophobicContact CE2-CB 4.11Å; Y269-M273 HydrophobicContact CE2-CG 3.61Å; Y269-M273 HydrophobicContact CG-CB 4.49Å; Y269-M273 HydrophobicContact CG-CG 4.31Å; Y269-M273 WeakPolarHBondContact O-CB 3.41Å; Y269-M273 PolarHBondContact O-N 3.21Å; Y269-V274 HydrophobicContact CE1-CG2 4.32Å
270I92Very high83.2Confident0 Ų046.8 Ų46.80%026%0.255CS..Iπ-helixtrans-59.4-46.4174.3-66.7165.2000110.4F200 F212 I221 L224 R266 V267 Q268 D272 V274 L275F200-I270 HydrophobicContact CE1-CG2 3.76Å; F200-I270 HydrophobicContact CZ-CD1 4.37Å; F200-I270 HydrophobicContact CZ-CG2 3.78Å; F212-I270 HydrophobicContact CE1-CD1 4.13Å; I221-I270 HydrophobicContact CD1-CD1 4.14Å; I221-I270 HydrophobicContact CD1-CG1 4.36Å; I221-I270 HydrophobicContact CG1-CD1 3.71Å; I221-I270 HydrophobicContact CG1-CG1 3.86Å; L224-I270 HydrophobicContact CD1-CG2 4.12Å; R266-I270 WeakPolarHBondContact O-CG1 3.39Å; R266-I270 PolarHBondContact O-N 3Å; V267-I270 PolarHBondContact O-N 3.44Å; Q268-I270 VanDerWaalsContact C-N 3.35Å; Q268-I270 PolarHBondContact O-N 2.81Å; I270-D272 PolarHBondContact O-N 3.26Å; I270-V274 HydrophobicContact CG2-CB 4.43Å; I270-V274 VanDerWaalsContact O-CB 3.31Å; I270-V274 WeakPolarHBondContact O-CB 3.39Å; I270-V274 PolarHBondContact O-N 3.15Å; I270-L275 HydrophobicContact CG2-CD1 4.33Å; I270-L275 PolarHBondContact O-N 2.89Å
271Q89.2Confident80.9Confident21 Ų2152.8 Ų52.810%0.09828%0.282CS..Iπ-helixtrans-60-46.2178-174.8-17914.300112V267 Q268 Y269 L275 P276 L289 I293V267-Q271 PolarHBondContact O-N 3.47Å; Q268-Q271 WeakPolarHBondContact O-CB 3.29Å; Q268-Q271 PolarHBondContact O-N 2.82Å; Q268-Q271 VanDerWaalsContact O-N 3.16Å; Y269-Q271 VanDerWaalsContact C-N 3.33Å; Y269-Q271 PolarHBondContact O-N 2.86Å; Q271-L275 CarbonylContact O-C 3.57Å; Q271-P276 WeakPolarHBondContact O-CA 3.21Å; Q271-L289 HydrophobicContact CB-CD2 3.88Å; Q271-L289 HydrophobicContact CB-CG 4.49Å; Q271-L289 HydrophobicContact CG-CD2 4.03Å; Q271-I293 HydrophobicContact CB-CD1 4.2Å
272D88.1Confident79Confident74 Ų7457.9 Ų57.940%0.39631%0.305SS..Iπ-helixtrans-85.6-38.4-168.4-65.6-21.6000112.4Q268 Y269 I270Q268-D272 VanDerWaalsContact CG-OD2 3.28Å; Q268-D272 WeakPolarHBondContact CG-OD2 3.5Å; Q268-D272 PolarHBondContact NE2-OD2 3.05Å; Q268-D272 WeakPolarHBondContact O-CB 3.39Å; Q268-D272 PolarHBondContact O-N 3.39Å; Y269-D272 PolarHBondContact O-N 3.41Å; I270-D272 PolarHBondContact O-N 3.26Å
273M84.6Confident76.9Confident98 Ų9865 Ų6548%0.48334%0.339SS..Iπ-helixtrans-102.3-25-171.4-62.5-63.111900114.4R234 Y269R234-M273 PolarHBondContact NH1-O 3.37Å; Y269-M273 HydrophobicContact CD1-CB 4.33Å; Y269-M273 HydrophobicContact CD2-CB 4.39Å; Y269-M273 HydrophobicContact CD2-CG 3.81Å; Y269-M273 HydrophobicContact CE1-CB 4.04Å; Y269-M273 HydrophobicContact CE1-CG 4.43Å; Y269-M273 HydrophobicContact CE2-CB 4.11Å; Y269-M273 HydrophobicContact CE2-CG 3.61Å; Y269-M273 HydrophobicContact CG-CB 4.49Å; Y269-M273 HydrophobicContact CG-CG 4.31Å; Y269-M273 WeakPolarHBondContact O-CB 3.41Å; Y269-M273 PolarHBondContact O-N 3.21Å
274V80Confident75.1Confident19 Ų1967.5 Ų67.512%0.11535%0.353CS..Iπ-helixtrans-110.6-44.3-171.3-171.90000111.6L224 Y269 I270 P276L224-V274 HydrophobicContact CB-CG1 3.77Å; L224-V274 HydrophobicContact CD1-CG1 3.92Å; L224-V274 HydrophobicContact CD2-CG1 4.15Å; L224-V274 HydrophobicContact CG-CG1 4.15Å; Y269-V274 HydrophobicContact CE1-CG2 4.32Å; I270-V274 HydrophobicContact CG2-CB 4.43Å; I270-V274 VanDerWaalsContact O-CB 3.31Å; I270-V274 WeakPolarHBondContact O-CB 3.39Å; I270-V274 PolarHBondContact O-N 3.15Å; V274-P276 WeakPolarHBondContact O-CD 3.29Å
275L78.4Confident73.7Confident18 Ų1873.1 Ų73.19%0.09438%0.38CS..SBendtrans-121.156.9178.3-60.6176.1000110.9K197 F200 I270 Q271 T277 L286K197-L275 HydrophobicContact CG-CD2 4.09Å; F200-L275 HydrophobicContact CB-CD1 3.64Å; F200-L275 HydrophobicContact CD1-CD1 3.58Å; F200-L275 HydrophobicContact CD2-CD1 4.03Å; F200-L275 HydrophobicContact CE1-CD1 4.16Å; F200-L275 HydrophobicContact CG-CD1 3.5Å; F200-L275 VanDerWaalsContact CG-CD1 3.5Å; I270-L275 HydrophobicContact CG2-CD1 4.33Å; I270-L275 PolarHBondContact O-N 2.89Å; Q271-L275 CarbonylContact O-C 3.57Å; L275-T277 PolarHBondContact O-N 2.88Å; L275-L286 HydrophobicContact CB-CD1 4.1Å; L275-L286 HydrophobicContact CD1-CD1 4.08Å
276P68.7Low73Confident79 Ų7972 Ų7251%0.51338%0.377SS..  trans-56136-177.525.7-34.1000109.1Q271 V274 P278Q271-P276 WeakPolarHBondContact O-CA 3.21Å; V274-P276 WeakPolarHBondContact O-CD 3.29Å; P276-P278 WeakPolarHBondContact O-CD 3.14Å
277T61.6Low72.6Confident87 Ų8772.4 Ų72.453%0.53439%0.389SS..  trans-50.6114.5177.9-53.90000107.9L275L275-T277 PolarHBondContact O-N 2.88Å
278P56.2Low72.4Confident56 Ų5673.7 Ų73.736%0.36440%0.397SS..  trans-60.1158.6176.8-20.231.9000109.3P276 V280 E282P276-P278 WeakPolarHBondContact O-CD 3.14Å; P278-V280 PolarHBondContact O-N 2.83Å; P278-E282 HydrophobicContact CB-CB 4.05Å; P278-E282 HydrophobicContact CB-CG 3.98Å; P278-E282 WeakPolarHBondContact CB-OE2 3.43Å; P278-E282 WeakPolarHBondContact CG-OE2 3.25Å
279S51.4Low72.2Confident88 Ų8872.3 Ų72.362%0.61539%0.39SS*.  trans-37.1138.1175.3179.50000111.2F281 E282S279-F281 PolarHBondContact O-N 3.15Å; S279-E282 PolarHBondContact O-N 2.9Å
280V54.5Low72.1Confident139 Ų13975.5 Ų75.584%0.84241%0.406SS*.THydrogen-bonded Turntrans-43.6-7.3-169.1-150.30000116.8P278P278-V280 PolarHBondContact O-N 2.83Å
281F46.5Very low72Confident160 Ų16078 Ų7870%0.70242%0.423SS*.THydrogen-bonded Turntrans-102.2-2.6-177.9-63.1-77.1000115.3S279S279-F281 PolarHBondContact O-N 3.15Å
282E52.8Low72.3Confident119 Ų11978 Ų7856%0.55642%0.424SS*.  trans-84.2118.2172-69.2-170.6-173.200111.2P278 S279 N284P278-E282 HydrophobicContact CB-CB 4.05Å; P278-E282 HydrophobicContact CB-CG 3.98Å; P278-E282 WeakPolarHBondContact CB-OE2 3.43Å; P278-E282 WeakPolarHBondContact CG-OE2 3.25Å; S279-E282 PolarHBondContact O-N 2.9Å; E282-N284 PolarHBondContact O-N 3.26Å
283E50.1Low72.5Confident198 Ų19874.8 Ų74.893%0.92541%0.406SS*.SBendtrans-60.2-14.2-176.3-68.4-176.815900114.5M285E283-M285 VanDerWaalsContact C-N 3.3Å; E283-M285 PolarHBondContact O-N 3.15Å
284N58.3Low72.8Confident84 Ų8473.9 Ų73.945%0.44940%0.399SS..  trans-90.850.1179.6-72.7-30.2000112.3E282 L286E282-N284 PolarHBondContact O-N 3.26Å; N284-L286 PolarHBondContact O-N 3.25Å; N284-L286 VanDerWaalsContact O-N 3.12Å
285M64.8Low73.4Confident127 Ų12779.1 Ų79.163%0.62642%0.421SS*.  trans-55.3123.1164.9-68.9-169.182.700108E283 S287E283-M285 VanDerWaalsContact C-N 3.3Å; E283-M285 PolarHBondContact O-N 3.15Å; M285-S287 PolarHBondContact O-N 2.9Å
286L79.6Confident74.1Confident27 Ų2778.6 Ų78.614%0.14142%0.418CS..  trans-68.659.9172.6-67172.2000110F200 L201 L275 N284 T288 L289 H290F200-L286 WeakPolarHBondContact O-CD2 3.18Å; L201-L286 HydrophobicContact CD2-CD2 4.48Å; L275-L286 HydrophobicContact CB-CD1 4.1Å; L275-L286 HydrophobicContact CD1-CD1 4.08Å; N284-L286 PolarHBondContact O-N 3.25Å; N284-L286 VanDerWaalsContact O-N 3.12Å; L286-T288 PolarHBondContact O-N 2.84Å; L286-L289 HydrophobicContact CB-CB 3.77Å; L286-L289 HydrophobicContact CB-CD2 4.2Å; L286-L289 HydrophobicContact CD1-CD2 3.78Å; L286-L289 VanDerWaalsContact O-CB 3.32Å; L286-L289 WeakPolarHBondContact O-CB 3.39Å; L286-L289 PolarHBondContact O-N 3.02Å; L286-H290 PolarHBondContact O-N 3.45Å
287S86.7Confident75.2Confident64 Ų6475.6 Ų75.645%0.44840%0.397SS..Hα-helixtrans-61.9-34.2-174.655.60000111.8N203 M285 S291N203-S287 PolarHBondContact ND2-OG 2.81Å; N203-S287 VanDerWaalsContact ND2-OG 3.15Å; M285-S287 PolarHBondContact O-N 2.9Å; S287-S291 WeakPolarHBondContact O-CB 3.17Å; S287-S291 PolarHBondContact O-N 2.82Å; S287-S291 PolarHBondContact O-OG 2.86Å
288T90.2Very high76.7Confident27 Ų2773.1 Ų73.117%0.16638%0.382CS..Hα-helixtrans-70.9-34.7175.9-50.90000110.7N203 T205 F208 L286 S291 F292N203-T288 PolarHBondContact ND2-OG1 3.04Å; N203-T288 WeakPolarHBondContact O-CB 3.34Å; N203-T288 PolarHBondContact O-OG1 3.03Å; N203-T288 WeakPolarHBondContact OD1-CB 3.44Å; N203-T288 PolarHBondContact OD1-N 3.31Å; N203-T288 VanDerWaalsContact OD1-N 3.08Å; N203-T288 PolarHBondContact OD1-OG1 3.47Å; T205-T288 WeakPolarHBondContact OG1-CG2 3.46Å; F208-T288 HydrophobicContact CD2-CG2 3.83Å; F208-T288 HydrophobicContact CE2-CG2 3.86Å; L286-T288 PolarHBondContact O-N 2.84Å; T288-S291 PolarHBondContact O-N 3.32Å; T288-F292 WeakPolarHBondContact O-CB 3.46Å; T288-F292 PolarHBondContact O-N 3.13Å
289L89.9Confident78.5Confident0 Ų074 Ų740%038%0.381CS..Hα-helixtrans-66.3-46.2174.6-17860.8000110.9F208 F212 V267 Q271 L286 S291 F292 I293F208-L289 HydrophobicContact CE2-CB 3.98Å; F208-L289 HydrophobicContact CZ-CB 4.21Å; F212-L289 HydrophobicContact CE2-CD1 3.61Å; F212-L289 HydrophobicContact CZ-CD1 3.49Å; F212-L289 VanDerWaalsContact CZ-CD1 3.49Å; V267-L289 HydrophobicContact CG1-CD1 3.45Å; V267-L289 VanDerWaalsContact CG1-CD1 3.45Å; Q271-L289 HydrophobicContact CB-CD2 3.88Å; Q271-L289 HydrophobicContact CB-CG 4.49Å; Q271-L289 HydrophobicContact CG-CD2 4.03Å; L286-L289 HydrophobicContact CB-CB 3.77Å; L286-L289 HydrophobicContact CB-CD2 4.2Å; L286-L289 HydrophobicContact CD1-CD2 3.78Å; L286-L289 VanDerWaalsContact O-CB 3.32Å; L286-L289 WeakPolarHBondContact O-CB 3.39Å; L286-L289 PolarHBondContact O-N 3.02Å; L289-S291 VanDerWaalsContact C-N 3.29Å; L289-S291 PolarHBondContact O-N 3.4Å; L289-F292 WeakPolarHBondContact O-CB 3.15Å; L289-F292 PolarHBondContact O-N 3.43Å; L289-F292 VanDerWaalsContact O-N 3.17Å; L289-I293 HydrophobicContact CG-CD1 4.46Å; L289-I293 PolarHBondContact O-N 3.46Å
290H89.6Confident80.4Confident101 Ų10170 Ų7047%0.46835%0.353SS..Hα-helixtrans-59.9-41.8174.8-172.469.7000111.5L286 I293 F294L286-H290 PolarHBondContact O-N 3.45Å; H290-I293 PolarHBondContact O-N 2.99Å; H290-F294 WeakPolarHBondContact O-CB 3.05Å; H290-F294 PolarHBondContact O-N 2.86Å
291S91.8Very high82.3Confident51 Ų5163.4 Ų63.436%0.35731%0.313SS..Hα-helixtrans-63.4-40.6175.3-58.80000111.9S287 T288 L289 F294 F295S287-S291 WeakPolarHBondContact O-CB 3.17Å; S287-S291 PolarHBondContact O-N 2.82Å; S287-S291 PolarHBondContact O-OG 2.86Å; T288-S291 PolarHBondContact O-N 3.32Å; L289-S291 VanDerWaalsContact C-N 3.29Å; L289-S291 PolarHBondContact O-N 3.4Å; S291-F294 WeakPolarHBondContact O-CB 3.32Å; S291-F294 PolarHBondContact O-N 2.96Å; S291-F295 WeakPolarHBondContact O-CD2 3.11Å; S291-F295 PolarHBondContact O-N 2.91Å
292F93.9Very high84.5Confident23 Ų2356.7 Ų56.710%0.10129%0.289CS..Hα-helixtrans-59.7-49.5176.7-172.1-82.1000111.3F208 E209 F212 Q263 V267 T288 L289 F294 F295 N296F208-F292 HydrophobicContact CB-CD2 4.29Å; E209-F292 HydrophobicContact CG-CE2 4.37Å; F212-F292 HydrophobicContact CB-CE1 4.3Å; F212-F292 HydrophobicContact CB-CZ 4.11Å; F212-F292 AromaticContact CD2-CD1 3.86Å; F212-F292 HydrophobicContact CD2-CD1 3.86Å; F212-F292 HydrophobicContact CD2-CD2 4.3Å; F212-F292 AromaticContact CD2-CE1 3.62Å; F212-F292 HydrophobicContact CD2-CE1 3.62Å; F212-F292 HydrophobicContact CD2-CE2 4.08Å; F212-F292 HydrophobicContact CD2-CG 4.2Å; F212-F292 AromaticContact CD2-CZ 3.75Å; F212-F292 HydrophobicContact CD2-CZ 3.75Å; F212-F292 HydrophobicContact CE2-CD1 4.21Å; F212-F292 HydrophobicContact CE2-CE1 4.42Å; F212-F292 HydrophobicContact CE2-CG 4.35Å; F212-F292 HydrophobicContact CG-CE1 4.37Å; F212-F292 HydrophobicContact CG-CZ 4.44Å; Q263-F292 HydrophobicContact CG-CE1 4.45Å; V267-F292 HydrophobicContact CG1-CD1 4.15Å; V267-F292 HydrophobicContact CG2-CE1 4.18Å; T288-F292 WeakPolarHBondContact O-CB 3.46Å; T288-F292 PolarHBondContact O-N 3.13Å; L289-F292 WeakPolarHBondContact O-CB 3.15Å; L289-F292 PolarHBondContact O-N 3.43Å; L289-F292 VanDerWaalsContact O-N 3.17Å; F292-F294 VanDerWaalsContact C-N 3.31Å; F292-F294 PolarHBondContact O-N 3.02Å; F292-F295 PolarHBondContact O-N 3.06Å; F292-N296 WeakPolarHBondContact CE1-ND2 3.5Å; F292-N296 WeakPolarHBondContact O-CB 3.36Å; F292-N296 PolarHBondContact O-N 2.9Å
293I92.2Very high86.5Confident5 Ų552.6 Ų52.63%0.02627%0.27CS..Hα-helixtrans-61.2-41.8176-67.5162.8000110.8T264 V267 Q268 Q271 L289 H290 N296 K297T264-I293 HydrophobicContact CG2-CG2 4.34Å; V267-I293 HydrophobicContact CB-CG1 4.27Å; V267-I293 HydrophobicContact CG1-CD1 3.97Å; V267-I293 HydrophobicContact CG1-CG1 3.64Å; Q268-I293 HydrophobicContact CB-CD1 4.32Å; Q271-I293 HydrophobicContact CB-CD1 4.2Å; L289-I293 HydrophobicContact CG-CD1 4.46Å; L289-I293 PolarHBondContact O-N 3.46Å; H290-I293 PolarHBondContact O-N 2.99Å; I293-N296 PolarHBondContact O-N 3.12Å; I293-K297 HydrophobicContact CG2-CD 4Å; I293-K297 VanDerWaalsContact O-CG 3.29Å; I293-K297 WeakPolarHBondContact O-CG 3.44Å; I293-K297 PolarHBondContact O-N 3.11Å
294F91.7Very high88.5Confident79 Ų7943.2 Ų43.235%0.34623%0.227SC..Hα-helixtrans-60.4-49177.5176.8-91.7000112.3H290 S291 F292 N296 K297 V298 T344H290-F294 WeakPolarHBondContact O-CB 3.05Å; H290-F294 PolarHBondContact O-N 2.86Å; S291-F294 WeakPolarHBondContact O-CB 3.32Å; S291-F294 PolarHBondContact O-N 2.96Å; F292-F294 VanDerWaalsContact C-N 3.31Å; F292-F294 PolarHBondContact O-N 3.02Å; F294-N296 PolarHBondContact O-N 2.87Å; F294-K297 WeakPolarHBondContact O-CB 3.17Å; F294-K297 PolarHBondContact O-N 3.11Å; F294-V298 HydrophobicContact CD1-CG2 4.39Å; F294-V298 HydrophobicContact CE1-CG2 4.03Å; F294-V298 HydrophobicContact CZ-CG2 4.26Å; F294-V298 WeakPolarHBondContact O-CG2 3.43Å; F294-V298 PolarHBondContact O-N 2.74Å; F294-T344 HydrophobicContact CD2-CG2 4.24Å; F294-T344 HydrophobicContact CE2-CG2 4.06Å; F294-T344 WeakPolarHBondContact CZ-O 2.96Å
295F93Very high90.2Very high129 Ų12941 Ų4157%0.56621%0.214SC*.Hα-helixtrans-65.3-38.7178.7-73-60.3000112.3S291 F292 K297 V298 E299S291-F295 WeakPolarHBondContact O-CD2 3.11Å; S291-F295 PolarHBondContact O-N 2.91Å; F292-F295 PolarHBondContact O-N 3.06Å; F295-K297 VanDerWaalsContact C-N 3.33Å; F295-K297 PolarHBondContact O-N 3.49Å; F295-V298 PolarHBondContact O-N 3.48Å; F295-E299 PolarHBondContact O-N 3.15Å
296N93.1Very high91.5Very high7 Ų742.9 Ų42.94%0.03722%0.221CC..Hα-helixtrans-60-42.5173.2-84.318.3000112.3K260 Q263 T264 F292 I293 F294 E299 I300K260-N296 VanDerWaalsContact CE-CG 3.46Å; K260-N296 WeakPolarHBondContact CE-OD1 3.5Å; Q263-N296 PolarHBondContact OE1-ND2 2.94Å; T264-N296 HydrophobicContact CG2-CB 4.17Å; T264-N296 VanDerWaalsContact OG1-CB 3.26Å; T264-N296 WeakPolarHBondContact OG1-CB 3.36Å; T264-N296 PolarHBondContact OG1-ND2 3.1Å; F292-N296 WeakPolarHBondContact CE1-ND2 3.5Å; F292-N296 WeakPolarHBondContact O-CB 3.36Å; F292-N296 PolarHBondContact O-N 2.9Å; I293-N296 PolarHBondContact O-N 3.12Å; F294-N296 PolarHBondContact O-N 2.87Å; N296-E299 PolarHBondContact O-N 2.79Å; N296-I300 VanDerWaalsContact O-CG1 3.26Å; N296-I300 WeakPolarHBondContact O-CG1 3.28Å; N296-I300 PolarHBondContact O-N 3.05Å
297K91.6Very high92.2Very high17 Ų1743.3 Ų43.37%0.07422%0.223CC..Hα-helixtrans-61.4-43.1176.1-74.1169.7175-164.80111.8T264 I293 F294 F295 E299 I300 V301 F341T264-K297 HydrophobicContact CG2-CG 4.19Å; I293-K297 HydrophobicContact CG2-CD 4Å; I293-K297 VanDerWaalsContact O-CG 3.29Å; I293-K297 WeakPolarHBondContact O-CG 3.44Å; I293-K297 PolarHBondContact O-N 3.11Å; F294-K297 WeakPolarHBondContact O-CB 3.17Å; F294-K297 PolarHBondContact O-N 3.11Å; F295-K297 VanDerWaalsContact C-N 3.33Å; F295-K297 PolarHBondContact O-N 3.49Å; K297-E299 VanDerWaalsContact C-N 3.32Å; K297-E299 PolarHBondContact O-N 3.49Å; K297-I300 PolarHBondContact O-N 2.87Å; K297-V301 VanDerWaalsContact O-CG2 3.22Å; K297-V301 WeakPolarHBondContact O-CG2 3.3Å; K297-V301 PolarHBondContact O-N 3.15Å; K297-F341 HydrophobicContact CB-CD1 4.19Å; K297-F341 HydrophobicContact CB-CE1 4.46Å; K297-F341 HydrophobicContact CD-CD1 4.04Å; K297-F341 HydrophobicContact CD-CE1 3.58Å; K297-F341 HydrophobicContact CG-CD1 4.07Å; K297-F341 HydrophobicContact CG-CE1 3.84Å
298V92.7Very high92.4Very high35 Ų3546.6 Ų46.621%0.21223%0.231CC..Hα-helixtrans-59.8-43.7175.5169.70000111.2F294 F295 V301 G302 L345F294-V298 HydrophobicContact CD1-CG2 4.39Å; F294-V298 HydrophobicContact CE1-CG2 4.03Å; F294-V298 HydrophobicContact CZ-CG2 4.26Å; F294-V298 WeakPolarHBondContact O-CG2 3.43Å; F294-V298 PolarHBondContact O-N 2.74Å; F295-V298 PolarHBondContact O-N 3.48Å; V298-V301 PolarHBondContact O-N 3.2Å; V298-G302 PolarHBondContact O-N 2.97Å; V298-L345 HydrophobicContact CB-CD2 4.34Å; V298-L345 HydrophobicContact CG1-CD2 3.88Å; V298-L345 HydrophobicContact CG2-CD2 4.33Å
299E93.3Very high92.5Very high73 Ų7351.6 Ų51.634%0.34125%0.251SS..Hα-helixtrans-67.1-45.6179.7-166.8175.5142.200112K260 F295 N296 K297 V301 G302 M303K260-E299 VanDerWaalsContact CE-OE1 3.3Å; K260-E299 WeakPolarHBondContact CE-OE1 3.5Å; K260-E299 WeakPolarHBondContact CE-OE2 3.24Å; K260-E299 IonicContact NZ-OE1 3.83Å; K260-E299 PolarHBondContact NZ-OE1 3.23Å; K260-E299 IonicContact NZ-OE2 3.28Å; K260-E299 PolarHBondContact NZ-OE2 2.76Å; F295-E299 PolarHBondContact O-N 3.15Å; N296-E299 PolarHBondContact O-N 2.79Å; K297-E299 VanDerWaalsContact C-N 3.32Å; K297-E299 PolarHBondContact O-N 3.49Å; E299-V301 VanDerWaalsContact C-N 3.3Å; E299-V301 PolarHBondContact O-N 3.27Å; E299-G302 PolarHBondContact O-N 3.24Å; E299-G302 VanDerWaalsContact O-N 3.11Å; E299-M303 HydrophobicContact CG-CG 4.5Å; E299-M303 HydrophobicContact CG-SD 4.24Å; E299-M303 VanDerWaalsContact O-CG 3.29Å; E299-M303 WeakPolarHBondContact O-CG 3.41Å; E299-M303 PolarHBondContact O-N 3.41Å
300I93.1Very high92.8Very high5 Ų551.9 Ų51.93%0.02625%0.252CS..Hα-helixtrans-56.7-45.3175.5-70.5163.7000110.9L257 K260 I261 T264 N296 K297 G302 M303 L304 L803L257-I300 HydrophobicContact CD1-CB 4.33Å; L257-I300 HydrophobicContact CD1-CG1 4.28Å; L257-I300 HydrophobicContact CD1-CG2 4.02Å; K260-I300 HydrophobicContact CB-CG1 4.13Å; K260-I300 HydrophobicContact CG-CD1 4.26Å; K260-I300 HydrophobicContact CG-CG1 3.8Å; I261-I300 HydrophobicContact CG1-CD1 3.98Å; I261-I300 HydrophobicContact CG1-CG1 4.11Å; I261-I300 HydrophobicContact CG1-CG2 4Å; T264-I300 HydrophobicContact CG2-CD1 4.31Å; T264-I300 WeakPolarHBondContact OG1-CD1 3.35Å; N296-I300 VanDerWaalsContact O-CG1 3.26Å; N296-I300 WeakPolarHBondContact O-CG1 3.28Å; N296-I300 PolarHBondContact O-N 3.05Å; K297-I300 PolarHBondContact O-N 2.87Å; I300-G302 VanDerWaalsContact C-N 3.34Å; I300-G302 PolarHBondContact O-N 2.87Å; I300-M303 PolarHBondContact O-N 2.64Å; I300-L304 HydrophobicContact CG2-CD1 3.97Å; I300-L304 WeakPolarHBondContact O-CB 3.38Å; I300-L304 WeakPolarHBondContact O-CG 3.38Å; I300-L304 PolarHBondContact O-N 3.36Å; I300-L803 HydrophobicContact CG2-CD2 3.33Å
301V93.1Very high93Very high0 Ų047.1 Ų47.10%023%0.23CC..Hα-helixtrans-63.5-42.1178.2173.20000110.9K297 V298 E299 Q305 F338 F341 L345 F353K297-V301 VanDerWaalsContact O-CG2 3.22Å; K297-V301 WeakPolarHBondContact O-CG2 3.3Å; K297-V301 PolarHBondContact O-N 3.15Å; V298-V301 PolarHBondContact O-N 3.2Å; E299-V301 VanDerWaalsContact C-N 3.3Å; E299-V301 PolarHBondContact O-N 3.27Å; V301-Q305 VanDerWaalsContact O-CB 3.31Å; V301-Q305 WeakPolarHBondContact O-CB 3.27Å; V301-Q305 PolarHBondContact O-N 3.28Å; V301-F338 HydrophobicContact CB-CE2 4.38Å; V301-F338 HydrophobicContact CG1-CD2 4.5Å; V301-F338 HydrophobicContact CG1-CE2 3.94Å; V301-F341 HydrophobicContact CG2-CB 3.73Å; V301-L345 HydrophobicContact CB-CD2 4.36Å; V301-L345 HydrophobicContact CG1-CD1 3.85Å; V301-L345 HydrophobicContact CG1-CD2 4.13Å; V301-L345 HydrophobicContact CG1-CG 4.26Å; V301-F353 HydrophobicContact CG1-CD2 3.99Å; V301-F353 HydrophobicContact CG1-CE2 3.86Å
302G92.7Very high93.1Very high20 Ų2047.9 Ų47.921%0.20623%0.233CC..Hα-helixtrans-62-47.517600000112.9V298 E299 I300 L304 Q305 E306V298-G302 PolarHBondContact O-N 2.97Å; E299-G302 PolarHBondContact O-N 3.24Å; E299-G302 VanDerWaalsContact O-N 3.11Å; I300-G302 VanDerWaalsContact C-N 3.34Å; I300-G302 PolarHBondContact O-N 2.87Å; G302-L304 PolarHBondContact O-N 3.25Å; G302-Q305 WeakPolarHBondContact O-CB 3.4Å; G302-Q305 PolarHBondContact O-N 2.7Å; G302-Q305 VanDerWaalsContact O-N 3.15Å; G302-E306 WeakPolarHBondContact O-CG 3.27Å; G302-E306 PolarHBondContact O-N 2.87Å
303M94.4Very high93.1Very high32 Ų3249.8 Ų49.816%0.15824%0.244CC..Hα-helixtrans-62.1-41.6178.4-67.1177.286.900111.9D254 E256 L257 E299 I300 E306 D307D254-M303 WeakPolarHBondContact OD2-CE 3.49Å; E256-M303 HydrophobicContact CB-CE 4.06Å; E256-M303 HydrophobicContact CG-CE 3.99Å; L257-M303 HydrophobicContact CB-CE 3.78Å; L257-M303 HydrophobicContact CB-SD 4.22Å; L257-M303 HydrophobicContact CD1-CB 3.87Å; L257-M303 HydrophobicContact CD1-SD 4.01Å; L257-M303 HydrophobicContact CD2-CB 4.26Å; L257-M303 HydrophobicContact CG-CB 4.47Å; E299-M303 HydrophobicContact CG-CG 4.5Å; E299-M303 HydrophobicContact CG-SD 4.24Å; E299-M303 VanDerWaalsContact O-CG 3.29Å; E299-M303 WeakPolarHBondContact O-CG 3.41Å; E299-M303 PolarHBondContact O-N 3.41Å; I300-M303 PolarHBondContact O-N 2.64Å; M303-E306 PolarHBondContact O-N 3.21Å; M303-D307 PolarHBondContact O-N 3.33Å
304L93.3Very high93.2Very high2 Ų249.6 Ų49.61%0.0124%0.243CC..Hα-helixtrans-66.8-35.9174.2-75.3169.6000112.6L257 I300 G302 E306 D307 F310 F334 F338 L803L257-L304 HydrophobicContact CD1-CG 4.49Å; L257-L304 HydrophobicContact CD2-CD2 3.71Å; L257-L304 HydrophobicContact CD2-CG 3.96Å; I300-L304 HydrophobicContact CG2-CD1 3.97Å; I300-L304 WeakPolarHBondContact O-CB 3.38Å; I300-L304 WeakPolarHBondContact O-CG 3.38Å; I300-L304 PolarHBondContact O-N 3.36Å; G302-L304 PolarHBondContact O-N 3.25Å; L304-E306 VanDerWaalsContact C-N 3.32Å; L304-D307 PolarHBondContact O-N 3.04Å; L304-F310 HydrophobicContact CD2-CD1 4.03Å; L304-F310 HydrophobicContact CD2-CD2 4.39Å; L304-F310 HydrophobicContact CD2-CE1 3.77Å; L304-F310 HydrophobicContact CD2-CE2 4.11Å; L304-F310 HydrophobicContact CD2-CG 4.36Å; L304-F310 HydrophobicContact CD2-CZ 3.81Å; L304-F334 HydrophobicContact CD1-CZ 4.19Å; L304-F338 HydrophobicContact CB-CE2 3.61Å; L304-F338 HydrophobicContact CB-CZ 3.69Å; L304-F338 HydrophobicContact CD1-CD2 4.2Å; L304-F338 HydrophobicContact CD1-CE2 3.93Å; L304-F338 HydrophobicContact CG-CE2 4.45Å; L304-L803 HydrophobicContact CD1-CD2 4.16Å
305Q93.1Very high93.4Very high38 Ų3846.4 Ų46.418%0.17823%0.229CC..Hα-helixtrans-66.1-35.2176.3-178.3-171.4-1000111.9V301 G302 A352 F353 T356V301-Q305 VanDerWaalsContact O-CB 3.31Å; V301-Q305 WeakPolarHBondContact O-CB 3.27Å; V301-Q305 PolarHBondContact O-N 3.28Å; G302-Q305 WeakPolarHBondContact O-CB 3.4Å; G302-Q305 PolarHBondContact O-N 2.7Å; G302-Q305 VanDerWaalsContact O-N 3.15Å; Q305-A352 PolarHBondContact NE2-O 2.98Å; Q305-F353 HydrophobicContact CB-CD2 4.43Å; Q305-F353 HydrophobicContact CG-CD2 4.35Å; Q305-F353 VanDerWaalsContact NE2-CA 3.34Å; Q305-T356 HydrophobicContact CG-CG2 4.11Å; Q305-T356 PolarHBondContact NE2-OG1 3.5Å; Q305-T356 VanDerWaalsContact NE2-OG1 3.17Å
306E92.7Very high93.4Very high166 Ų16642.8 Ų42.878%0.77622%0.223SC*.Hα-helixtrans-78.6-20.4179.8-70.5179.2-177.500113.3G302 M303 L304 E308G302-E306 WeakPolarHBondContact O-CG 3.27Å; G302-E306 PolarHBondContact O-N 2.87Å; M303-E306 PolarHBondContact O-N 3.21Å; L304-E306 VanDerWaalsContact C-N 3.32Å; E306-E308 PolarHBondContact O-N 3.38Å
307D93.8Very high93.5Very high36 Ų3645.5 Ų45.519%0.19324%0.235CC..  trans-79.883.4175.4-167.2-18.3000111.8M303 L304 K309 F310 L311M303-D307 PolarHBondContact O-N 3.33Å; L304-D307 PolarHBondContact O-N 3.04Å; D307-K309 PolarHBondContact O-N 3Å; D307-K309 PolarHBondContact OD1-N 3.41Å; D307-F310 HydrophobicContact CB-CB 3.8Å; D307-F310 PolarHBondContact O-N 3.31Å; D307-F310 PolarHBondContact OD1-N 2.93Å; D307-L311 PolarHBondContact O-N 3.45Å; D307-L311 VanDerWaalsContact O-N 3.12Å
308E91.5Very high93.6Very high132 Ų13244.7 Ų44.762%0.61723%0.232SC*.Hα-helixtrans-57-33.7178.1-173.9178.2-175.500112.6E306 T312 M360E306-E308 PolarHBondContact O-N 3.38Å; E308-T312 VanDerWaalsContact O-CB 3.28Å; E308-T312 WeakPolarHBondContact O-CB 3.38Å; E308-T312 PolarHBondContact O-N 3.3Å; E308-T312 PolarHBondContact O-OG1 3.01Å; E308-M360 HydrophobicContact CG-SD 4.34Å
309K93Very high93.5Very high132 Ų13245.7 Ų45.757%0.57424%0.238SC*.Hα-helixtrans-69.7-46.1179.8-176.1-174172.5-164.10110.5D307 L311 T312 D313D307-K309 PolarHBondContact O-N 3Å; D307-K309 PolarHBondContact OD1-N 3.41Å; K309-L311 VanDerWaalsContact C-N 3.33Å; K309-L311 PolarHBondContact O-N 3.31Å; K309-T312 PolarHBondContact O-N 3Å; K309-D313 WeakPolarHBondContact O-CB 3.45Å; K309-D313 PolarHBondContact O-N 3.48Å
310F94.7Very high93.4Very high6 Ų646 Ų463%0.02624%0.242CC..Hα-helixtrans-56.3-47.8176179.4-83.4000111.4I250 I252 L304 D307 D313 L314 F334I250-F310 HydrophobicContact CB-CD2 3.96Å; I250-F310 HydrophobicContact CB-CE2 3.48Å; I250-F310 VanDerWaalsContact CB-CE2 3.48Å; I250-F310 HydrophobicContact CB-CZ 3.91Å; I250-F310 HydrophobicContact CD1-CE1 4.38Å; I250-F310 HydrophobicContact CD1-CE2 4.5Å; I250-F310 HydrophobicContact CD1-CZ 4.23Å; I250-F310 HydrophobicContact CG2-CD2 3.55Å; I250-F310 HydrophobicContact CG2-CE2 3.65Å; I250-F310 HydrophobicContact CG2-CG 4.25Å; I250-F310 HydrophobicContact CG2-CZ 4.38Å; I252-F310 HydrophobicContact CG1-CD2 4.49Å; I252-F310 HydrophobicContact CG1-CE2 3.99Å; L304-F310 HydrophobicContact CD2-CD1 4.03Å; L304-F310 HydrophobicContact CD2-CD2 4.39Å; L304-F310 HydrophobicContact CD2-CE1 3.77Å; L304-F310 HydrophobicContact CD2-CE2 4.11Å; L304-F310 HydrophobicContact CD2-CG 4.36Å; L304-F310 HydrophobicContact CD2-CZ 3.81Å; D307-F310 HydrophobicContact CB-CB 3.8Å; D307-F310 PolarHBondContact O-N 3.31Å; D307-F310 PolarHBondContact OD1-N 2.93Å; F310-D313 PolarHBondContact O-N 3.3Å; F310-L314 WeakPolarHBondContact O-CB 3.25Å; F310-L314 PolarHBondContact O-N 3.31Å; F310-F334 AromaticContact CE1-CE1 3.56Å; F310-F334 HydrophobicContact CE1-CE1 3.56Å; F310-F334 AromaticContact CE1-CZ 3.55Å; F310-F334 HydrophobicContact CE1-CZ 3.55Å; F310-F334 AromaticContact CZ-CE1 3.74Å; F310-F334 HydrophobicContact CZ-CE1 3.74Å; F310-F334 HydrophobicContact CZ-CE2 4.16Å; F310-F334 AromaticContact CZ-CZ 3.44Å; F310-F334 HydrophobicContact CZ-CZ 3.44Å; F310-F334 VanDerWaalsContact CZ-CZ 3.44Å
311L93.7Very high93.1Very high1 Ų153.9 Ų53.91%0.00528%0.279CS..Hα-helixtrans-66.7-38.2178.4-64.8179000112.7D307 K309 L314 F315 F338 T356 L357 M360D307-L311 PolarHBondContact O-N 3.45Å; D307-L311 VanDerWaalsContact O-N 3.12Å; K309-L311 VanDerWaalsContact C-N 3.33Å; K309-L311 PolarHBondContact O-N 3.31Å; L311-L314 HydrophobicContact CD2-CD2 4.44Å; L311-L314 WeakPolarHBondContact O-CB 3.34Å; L311-L314 PolarHBondContact O-N 3.01Å; L311-F315 WeakPolarHBondContact O-CD2 3.32Å; L311-F315 PolarHBondContact O-N 3.28Å; L311-F315 VanDerWaalsContact O-N 3.08Å; L311-F338 HydrophobicContact CD2-CE1 3.8Å; L311-F338 HydrophobicContact CD2-CZ 4.43Å; L311-T356 HydrophobicContact CD1-CG2 4.04Å; L311-L357 HydrophobicContact CD2-CD2 4.37Å; L311-M360 HydrophobicContact CB-CG 4.46Å; L311-M360 HydrophobicContact CD1-CG 4.46Å
312T93.7Very high93Very high68 Ų6857.7 Ų57.742%0.41731%0.31SS..Hα-helixtrans-63-46.9176-60.10000110.9E308 K309 L314 F315 A316E308-T312 VanDerWaalsContact O-CB 3.28Å; E308-T312 WeakPolarHBondContact O-CB 3.38Å; E308-T312 PolarHBondContact O-N 3.3Å; E308-T312 PolarHBondContact O-OG1 3.01Å; K309-T312 PolarHBondContact O-N 3Å; T312-L314 VanDerWaalsContact C-N 3.27Å; T312-L314 PolarHBondContact O-N 3.08Å; T312-F315 PolarHBondContact O-N 3.04Å; T312-A316 WeakPolarHBondContact O-CB 3.23Å; T312-A316 PolarHBondContact O-N 2.92Å
313D94.2Very high93Very high63 Ų6357.6 Ų57.634%0.33731%0.306SS..Hα-helixtrans-64.7-33.4178.3-71.7-17.4000111.3I250 K309 F310 Q317I250-D313 HydrophobicContact CG2-CB 4.44Å; K309-D313 WeakPolarHBondContact O-CB 3.45Å; K309-D313 PolarHBondContact O-N 3.48Å; F310-D313 PolarHBondContact O-N 3.3Å; D313-Q317 WeakPolarHBondContact O-CB 3.5Å; D313-Q317 WeakPolarHBondContact O-CG 3.39Å; D313-Q317 PolarHBondContact O-N 3.29Å; D313-Q317 VanDerWaalsContact O-N 3.08Å; D313-Q317 PolarHBondContact O-NE2 3.36Å
314L95.4Very high92.9Very high0 Ų061.9 Ų61.90%033%0.329CS..Hα-helixtrans-60.4-59.7173.6177.861.2000111.4I250 F310 L311 T312 A316 Q317 L318 L331 F334 L335I250-L314 HydrophobicContact CD1-CB 3.3Å; I250-L314 HydrophobicContact CD1-CD1 3.57Å; I250-L314 HydrophobicContact CD1-CG 3.96Å; F310-L314 WeakPolarHBondContact O-CB 3.25Å; F310-L314 PolarHBondContact O-N 3.31Å; L311-L314 HydrophobicContact CD2-CD2 4.44Å; L311-L314 WeakPolarHBondContact O-CB 3.34Å; L311-L314 PolarHBondContact O-N 3.01Å; T312-L314 VanDerWaalsContact C-N 3.27Å; T312-L314 PolarHBondContact O-N 3.08Å; L314-A316 VanDerWaalsContact C-N 3.32Å; L314-A316 PolarHBondContact O-N 2.99Å; L314-Q317 PolarHBondContact O-N 3.14Å; L314-L318 WeakPolarHBondContact O-CB 3.47Å; L314-L318 PolarHBondContact O-N 2.93Å; L314-L331 HydrophobicContact CD1-CB 4.19Å; L314-L331 HydrophobicContact CD1-CD2 3.62Å; L314-F334 HydrophobicContact CD1-CD1 4.15Å; L314-F334 HydrophobicContact CD2-CD1 4.15Å; L314-F334 HydrophobicContact CD2-CE1 4.06Å; L314-L335 HydrophobicContact CD2-CD1 4.24Å
315F95.3Very high92.7Very high13 Ų1368.9 Ų68.96%0.05736%0.362CS..Hα-helixtrans-68.2-33-176.2-70.4-63000112.6L311 T312 L318 T319 L335 L357 M360 I362 A365L311-F315 WeakPolarHBondContact O-CD2 3.32Å; L311-F315 PolarHBondContact O-N 3.28Å; L311-F315 VanDerWaalsContact O-N 3.08Å; T312-F315 PolarHBondContact O-N 3.04Å; F315-L318 HydrophobicContact CD1-CD2 4.31Å; F315-L318 PolarHBondContact O-N 3.4Å; F315-T319 PolarHBondContact O-N 3.06Å; F315-T319 PolarHBondContact O-OG1 3.44Å; F315-L335 HydrophobicContact CE1-CD2 3.98Å; F315-L335 HydrophobicContact CZ-CD1 4.41Å; F315-L357 HydrophobicContact CE2-CD2 4.31Å; F315-L357 HydrophobicContact CZ-CD2 4.17Å; F315-M360 HydrophobicContact CD2-CB 3.77Å; F315-M360 HydrophobicContact CE2-CB 3.6Å; F315-I362 HydrophobicContact CE1-CB 3.84Å; F315-I362 HydrophobicContact CE1-CG1 3.94Å; F315-I362 HydrophobicContact CZ-CB 3.84Å; F315-I362 HydrophobicContact CZ-CD1 4.42Å; F315-I362 HydrophobicContact CZ-CG1 4.17Å; F315-A365 HydrophobicContact CD1-CB 3.8Å; F315-A365 HydrophobicContact CE1-CB 4.3Å
316A93.6Very high92.6Very high53 Ų5374.4 Ų74.444%0.43839%0.388SS..Hα-helixtrans-61.7-50.8174.200000111.4T312 L314 L318 T319 D320T312-A316 WeakPolarHBondContact O-CB 3.23Å; T312-A316 PolarHBondContact O-N 2.92Å; L314-A316 VanDerWaalsContact C-N 3.32Å; L314-A316 PolarHBondContact O-N 2.99Å; A316-L318 VanDerWaalsContact C-N 3.32Å; A316-L318 PolarHBondContact O-N 3.2Å; A316-T319 PolarHBondContact O-N 3.46Å; A316-T319 PolarHBondContact O-OG1 2.78Å; A316-D320 WeakPolarHBondContact O-CB 3.41Å; A316-D320 PolarHBondContact O-N 3.01Å
317Q94.4Very high92.7Very high63 Ų6368.8 Ų68.829%0.29436%0.361SS..Hα-helixtrans-68.6-32.8178.5-73.1177.970.700112.5D313 L314 T319 T323 L331D313-Q317 WeakPolarHBondContact O-CB 3.5Å; D313-Q317 WeakPolarHBondContact O-CG 3.39Å; D313-Q317 PolarHBondContact O-N 3.29Å; D313-Q317 VanDerWaalsContact O-N 3.08Å; D313-Q317 PolarHBondContact O-NE2 3.36Å; L314-Q317 PolarHBondContact O-N 3.14Å; Q317-T319 VanDerWaalsContact C-N 3.28Å; Q317-T319 PolarHBondContact O-N 3.04Å; Q317-T323 VanDerWaalsContact O-CB 3.29Å; Q317-T323 WeakPolarHBondContact O-CB 3.32Å; Q317-T323 PolarHBondContact O-OG1 3.21Å; Q317-L331 HydrophobicContact CB-CD1 3.68Å
318L93.8Very high92.7Very high0 Ų067.9 Ų67.90%035%0.354CS..Hα-helixtrans-64.4-35.7-179.4-164.760.9000112.5L314 F315 A316 R328 L331 V332 L335 A365 I369L314-L318 WeakPolarHBondContact O-CB 3.47Å; L314-L318 PolarHBondContact O-N 2.93Å; F315-L318 HydrophobicContact CD1-CD2 4.31Å; F315-L318 PolarHBondContact O-N 3.4Å; A316-L318 VanDerWaalsContact C-N 3.32Å; A316-L318 PolarHBondContact O-N 3.2Å; L318-R328 HydrophobicContact CD1-CG 4.22Å; L318-L331 HydrophobicContact CD1-CB 3.7Å; L318-V332 HydrophobicContact CD1-CB 4.43Å; L318-V332 HydrophobicContact CD1-CG2 3.3Å; L318-V332 HydrophobicContact CG-CG2 4.38Å; L318-L335 HydrophobicContact CD2-CD2 3.92Å; L318-A365 HydrophobicContact CD2-CB 4.21Å; L318-I369 HydrophobicContact CD1-CD1 3.91Å; L318-I369 HydrophobicContact CD1-CG1 4.49Å; L318-I369 HydrophobicContact CD2-CD1 3.39Å; L318-I369 HydrophobicContact CG-CD1 3.42Å; L318-I369 VanDerWaalsContact CG-CD1 3.42Å; L318-I369 HydrophobicContact CG-CG1 4.11Å
319T90.4Very high92.8Very high56 Ų5664.1 Ų64.134%0.34434%0.337SS..Hα-helixtrans-98.9-9.8-177.657.20000114.2F315 A316 Q317 A365 V368F315-T319 PolarHBondContact O-N 3.06Å; F315-T319 PolarHBondContact O-OG1 3.44Å; A316-T319 PolarHBondContact O-N 3.46Å; A316-T319 PolarHBondContact O-OG1 2.78Å; Q317-T319 VanDerWaalsContact C-N 3.28Å; Q317-T319 PolarHBondContact O-N 3.04Å; T319-A365 HydrophobicContact CG2-CB 3.72Å; T319-V368 HydrophobicContact CG2-CB 4.41Å; T319-V368 HydrophobicContact CG2-CG2 4.44Å
320D92.1Very high92.9Very high80 Ų8059.9 Ų59.943%0.42832%0.319SS..  trans-70129.3177.3-170.1-4.2000111.1A316 A322 T323 R328A316-D320 WeakPolarHBondContact O-CB 3.41Å; A316-D320 PolarHBondContact O-N 3.01Å; D320-A322 PolarHBondContact O-N 2.89Å; D320-A322 WeakPolarHBondContact OD1-CB 3.4Å; D320-A322 PolarHBondContact OD1-N 2.9Å; D320-T323 PolarHBondContact O-N 3.02Å; D320-R328 PolarHBondContact O-NH2 3.28Å
321E87.2Confident92.9Very high171 Ų17159.6 Ų59.680%0.79932%0.318SS*.THydrogen-bonded Turntrans-65.5-23.5175.9-66.7-178.3-174.600111.6T323E321-T323 VanDerWaalsContact C-N 3.32Å
322A90.8Very high93.1Very high79 Ų7959.6 Ų59.665%0.65332%0.318SS*.THydrogen-bonded Turntrans-79.4-9.6178.700000114.2D320D320-A322 PolarHBondContact O-N 2.89Å; D320-A322 WeakPolarHBondContact OD1-CB 3.4Å; D320-A322 PolarHBondContact OD1-N 2.9Å
323T92.1Very high93.1Very high19 Ų1958.4 Ų58.412%0.11731%0.309CS..SBendtrans-72.8130-179.9-580000110.9Q317 D320 E321 K327 R328 L331Q317-T323 VanDerWaalsContact O-CB 3.29Å; Q317-T323 WeakPolarHBondContact O-CB 3.32Å; Q317-T323 PolarHBondContact O-OG1 3.21Å; D320-T323 PolarHBondContact O-N 3.02Å; E321-T323 VanDerWaalsContact C-N 3.32Å; T323-K327 HydrophobicContact CG2-CB 3.99Å; T323-K327 HydrophobicContact CG2-CG 3.95Å; T323-R328 HydrophobicContact CG2-CB 4.15Å; T323-R328 PolarHBondContact O-NH1 3Å; T323-R328 PolarHBondContact O-NH2 3.12Å; T323-L331 HydrophobicContact CG2-CD1 4.09Å
324D91.5Very high93.2Very high121 Ų12156.5 Ų56.565%0.64730%0.298SS*.  trans-59.2149.9176.9-62.6-41.9000111.8E326 K327 R328D324-E326 PolarHBondContact O-N 2.8Å; D324-K327 HydrophobicContact CB-CB 4.15Å; D324-K327 PolarHBondContact O-N 2.87Å; D324-R328 WeakPolarHBondContact O-CB 3.26Å; D324-R328 PolarHBondContact O-N 2.91Å
325E89.7Confident93.2Very high150 Ų15056.6 Ų56.670%0.70130%0.298SS*.Hα-helixtrans-59.6-48.1-178.9-68178.7177.600111.9K327 R328 Q329E325-K327 VanDerWaalsContact C-N 3.32Å; E325-K327 PolarHBondContact O-N 2.99Å; E325-R328 PolarHBondContact O-N 2.89Å; E325-Q329 PolarHBondContact O-N 2.94Å
326E91.6Very high93.2Very high154 Ų15459.1 Ų59.172%0.7231%0.309SS*.Hα-helixtrans-59.1-43.1175.8-66.4179.7-178.800111.5D324 R328 Q329 E330D324-E326 PolarHBondContact O-N 2.8Å; E326-R328 PolarHBondContact O-N 3.06Å; E326-Q329 WeakPolarHBondContact O-CB 3.34Å; E326-Q329 PolarHBondContact O-N 2.82Å; E326-E330 WeakPolarHBondContact O-CG 3.38Å; E326-E330 PolarHBondContact O-N 3.27Å
327K93.7Very high93.1Very high48 Ų4857.7 Ų57.721%0.20929%0.293CS..Hα-helixtrans-66.2-40.6179.7-175.256.7179-179.90111.8V249 T323 D324 E325 Q329 E330 L331V249-K327 VanDerWaalsContact O-CE 3.26Å; V249-K327 WeakPolarHBondContact O-CE 3.38Å; V249-K327 PolarHBondContact O-NZ 3.34Å; T323-K327 HydrophobicContact CG2-CB 3.99Å; T323-K327 HydrophobicContact CG2-CG 3.95Å; D324-K327 HydrophobicContact CB-CB 4.15Å; D324-K327 PolarHBondContact O-N 2.87Å; E325-K327 VanDerWaalsContact C-N 3.32Å; E325-K327 PolarHBondContact O-N 2.99Å; K327-Q329 VanDerWaalsContact C-N 3.32Å; K327-E330 WeakPolarHBondContact CD-OE2 3.46Å; K327-E330 IonicContact NZ-OE2 3.34Å; K327-E330 PolarHBondContact NZ-OE2 2.99Å; K327-E330 WeakPolarHBondContact O-CB 3.03Å; K327-E330 PolarHBondContact O-N 3.25Å; K327-L331 HydrophobicContact CG-CD1 4.13Å; K327-L331 WeakPolarHBondContact O-CD1 3.46Å; K327-L331 VanDerWaalsContact O-CG 3.28Å; K327-L331 WeakPolarHBondContact O-CG 3.39Å; K327-L331 PolarHBondContact O-N 2.95Å
328R94.4Very high93.1Very high16 Ų1654.7 Ų54.76%0.0628%0.279CS..Hα-helixtrans-64.2-39.9176.6-169.5177.1-6898.5-3.8111.2L318 D320 T323 D324 E325 E326 L331 V332 M372L318-R328 HydrophobicContact CD1-CG 4.22Å; D320-R328 PolarHBondContact O-NH2 3.28Å; T323-R328 HydrophobicContact CG2-CB 4.15Å; T323-R328 PolarHBondContact O-NH1 3Å; T323-R328 PolarHBondContact O-NH2 3.12Å; D324-R328 WeakPolarHBondContact O-CB 3.26Å; D324-R328 PolarHBondContact O-N 2.91Å; E325-R328 PolarHBondContact O-N 2.89Å; E326-R328 PolarHBondContact O-N 3.06Å; R328-L331 PolarHBondContact O-N 3.2Å; R328-V332 WeakPolarHBondContact O-CG2 3.45Å; R328-V332 PolarHBondContact O-N 2.99Å; R328-M372 WeakPolarHBondContact CD-SD 3.36Å
329Q94.1Very high93.1Very high54 Ų5454.7 Ų54.725%0.25228%0.279SS..Hα-helixtrans-59.4-45.9174-177.1175.71500111.9E325 E326 K327 L331 V332 N333 V377E325-Q329 PolarHBondContact O-N 2.94Å; E326-Q329 WeakPolarHBondContact O-CB 3.34Å; E326-Q329 PolarHBondContact O-N 2.82Å; K327-Q329 VanDerWaalsContact C-N 3.32Å; Q329-L331 VanDerWaalsContact C-N 3.34Å; Q329-L331 PolarHBondContact O-N 2.92Å; Q329-V332 PolarHBondContact O-N 3.44Å; Q329-N333 WeakPolarHBondContact O-CB 3.31Å; Q329-N333 VanDerWaalsContact O-CG 3.31Å; Q329-N333 PolarHBondContact O-N 2.81Å; Q329-V377 HydrophobicContact CB-CG2 4.12Å; Q329-V377 HydrophobicContact CG-CG2 4.47Å
330E94.2Very high93.1Very high43 Ų4353.4 Ų53.420%0.20128%0.275CS..Hα-helixtrans-59-43.9174.4-66.5172.1-177.600112.4K247 V249 E326 K327 N333 F334K247-E330 WeakPolarHBondContact CE-OE1 3.37Å; K247-E330 IonicContact NZ-OE1 3.08Å; K247-E330 PolarHBondContact NZ-OE1 2.63Å; K247-E330 IonicContact NZ-OE2 2.91Å; V249-E330 HydrophobicContact CG1-CB 3.88Å; V249-E330 HydrophobicContact CG2-CB 4.13Å; E326-E330 WeakPolarHBondContact O-CG 3.38Å; E326-E330 PolarHBondContact O-N 3.27Å; K327-E330 WeakPolarHBondContact CD-OE2 3.46Å; K327-E330 IonicContact NZ-OE2 3.34Å; K327-E330 PolarHBondContact NZ-OE2 2.99Å; K327-E330 WeakPolarHBondContact O-CB 3.03Å; K327-E330 PolarHBondContact O-N 3.25Å; E330-N333 PolarHBondContact O-N 3.43Å; E330-F334 WeakPolarHBondContact O-CB 2.88Å; E330-F334 PolarHBondContact O-N 3.38Å
331L95.8Very high92.9Very high0 Ų050.4 Ų50.40%026%0.258CS..Hα-helixtrans-64.5-41.9180-69.5161.9000111.8V249 I250 L314 Q317 L318 T323 K327 R328 Q329 L335V249-L331 HydrophobicContact CG1-CB 4.43Å; V249-L331 HydrophobicContact CG1-CD2 3.54Å; V249-L331 HydrophobicContact CG1-CG 3.85Å; I250-L331 HydrophobicContact CD1-CD2 3.85Å; I250-L331 HydrophobicContact CG1-CD2 3.79Å; L314-L331 HydrophobicContact CD1-CB 4.19Å; L314-L331 HydrophobicContact CD1-CD2 3.62Å; Q317-L331 HydrophobicContact CB-CD1 3.68Å; L318-L331 HydrophobicContact CD1-CB 3.7Å; T323-L331 HydrophobicContact CG2-CD1 4.09Å; K327-L331 HydrophobicContact CG-CD1 4.13Å; K327-L331 WeakPolarHBondContact O-CD1 3.46Å; K327-L331 VanDerWaalsContact O-CG 3.28Å; K327-L331 WeakPolarHBondContact O-CG 3.39Å; K327-L331 PolarHBondContact O-N 2.95Å; R328-L331 PolarHBondContact O-N 3.2Å; Q329-L331 VanDerWaalsContact C-N 3.34Å; Q329-L331 PolarHBondContact O-N 2.92Å; L331-L335 WeakPolarHBondContact O-CB 3.44Å; L331-L335 PolarHBondContact O-N 2.78Å
332V95.9Very high92.9Very high0 Ų042.3 Ų42.30%022%0.22CC..Hα-helixtrans-69.4-41.2176.9178.40000111.3L318 R328 Q329 L335 K336 I369 V377 A380 I384L318-V332 HydrophobicContact CD1-CB 4.43Å; L318-V332 HydrophobicContact CD1-CG2 3.3Å; L318-V332 HydrophobicContact CG-CG2 4.38Å; R328-V332 WeakPolarHBondContact O-CG2 3.45Å; R328-V332 PolarHBondContact O-N 2.99Å; Q329-V332 PolarHBondContact O-N 3.44Å; V332-L335 PolarHBondContact O-N 2.72Å; V332-K336 WeakPolarHBondContact O-CB 3.22Å; V332-K336 PolarHBondContact O-N 3.22Å; V332-I369 HydrophobicContact CG2-CD1 4.03Å; V332-I369 HydrophobicContact CG2-CG2 4.16Å; V332-V377 HydrophobicContact CG2-CG1 3.92Å; V332-A380 HydrophobicContact CG1-CB 3.48Å; V332-A380 VanDerWaalsContact CG1-CB 3.48Å; V332-I384 HydrophobicContact CG1-CD1 3.99Å
333N95.2Very high92.7Very high44 Ų4443.5 Ų43.524%0.23521%0.212CC..Hα-helixtrans-63-43.6176.3-75.4-15.9000111.4Q329 E330 L335 K336 E337Q329-N333 WeakPolarHBondContact O-CB 3.31Å; Q329-N333 VanDerWaalsContact O-CG 3.31Å; Q329-N333 PolarHBondContact O-N 2.81Å; E330-N333 PolarHBondContact O-N 3.43Å; N333-L335 PolarHBondContact O-N 3.12Å; N333-K336 WeakPolarHBondContact O-CB 3.38Å; N333-K336 PolarHBondContact O-N 3Å; N333-E337 PolarHBondContact O-N 3.34Å
334F95.3Very high92.4Very high23 Ų2344 Ų4410%0.10122%0.215CC..Hα-helixtrans-57.4-48172.5173.2-91.1000111.4V249 L304 F310 L314 E330 K336 E337 F338V249-F334 HydrophobicContact CB-CB 4.44Å; V249-F334 HydrophobicContact CG1-CB 4.47Å; V249-F334 HydrophobicContact CG2-CB 4.27Å; L304-F334 HydrophobicContact CD1-CZ 4.19Å; F310-F334 AromaticContact CE1-CE1 3.56Å; F310-F334 HydrophobicContact CE1-CE1 3.56Å; F310-F334 AromaticContact CE1-CZ 3.55Å; F310-F334 HydrophobicContact CE1-CZ 3.55Å; F310-F334 AromaticContact CZ-CE1 3.74Å; F310-F334 HydrophobicContact CZ-CE1 3.74Å; F310-F334 HydrophobicContact CZ-CE2 4.16Å; F310-F334 AromaticContact CZ-CZ 3.44Å; F310-F334 HydrophobicContact CZ-CZ 3.44Å; F310-F334 VanDerWaalsContact CZ-CZ 3.44Å; L314-F334 HydrophobicContact CD1-CD1 4.15Å; L314-F334 HydrophobicContact CD2-CD1 4.15Å; L314-F334 HydrophobicContact CD2-CE1 4.06Å; E330-F334 WeakPolarHBondContact O-CB 2.88Å; E330-F334 PolarHBondContact O-N 3.38Å; F334-K336 VanDerWaalsContact C-N 3.31Å; F334-K336 PolarHBondContact O-N 2.86Å; F334-E337 PolarHBondContact O-N 2.73Å; F334-F338 HydrophobicContact CE1-CB 4.36Å; F334-F338 VanDerWaalsContact O-CB 3.29Å; F334-F338 WeakPolarHBondContact O-CB 3.36Å; F334-F338 PolarHBondContact O-N 2.71Å
335L95.8Very high92.3Very high1 Ų138.7 Ų38.71%0.00519%0.187CC..Hα-helixtrans-63.8-37.2179-179.459.5000112.1L314 F315 L318 L331 V332 N333 F338 C339 I362 I384L314-L335 HydrophobicContact CD2-CD1 4.24Å; F315-L335 HydrophobicContact CE1-CD2 3.98Å; F315-L335 HydrophobicContact CZ-CD1 4.41Å; L318-L335 HydrophobicContact CD2-CD2 3.92Å; L331-L335 WeakPolarHBondContact O-CB 3.44Å; L331-L335 PolarHBondContact O-N 2.78Å; V332-L335 PolarHBondContact O-N 2.72Å; N333-L335 PolarHBondContact O-N 3.12Å; L335-F338 HydrophobicContact CD1-CD1 4.39Å; L335-F338 PolarHBondContact O-N 3.4Å; L335-C339 WeakPolarHBondContact O-CB 3.38Å; L335-C339 PolarHBondContact O-N 3.36Å; L335-C339 PolarHBondContact O-SG 3.01Å; L335-I362 HydrophobicContact CD1-CD1 4.16Å; L335-I362 HydrophobicContact CD2-CD1 4.19Å; L335-I362 HydrophobicContact CD2-CG1 4.33Å; L335-I362 HydrophobicContact CG-CD1 4.49Å; L335-I384 HydrophobicContact CB-CD1 4.07Å; L335-I384 HydrophobicContact CD2-CD1 3.97Å; L335-I384 HydrophobicContact CG-CD1 3.83Å; L335-I384 HydrophobicContact CG-CG1 4.46Å
336K95.2Very high92.2Very high67 Ų6738 Ų3829%0.29118%0.183SC..Hα-helixtrans-61.6-50.1174.3170.7179.2165.1169.80111V332 N333 F334 C339 A340 A380 D383 I384V332-K336 WeakPolarHBondContact O-CB 3.22Å; V332-K336 PolarHBondContact O-N 3.22Å; N333-K336 WeakPolarHBondContact O-CB 3.38Å; N333-K336 PolarHBondContact O-N 3Å; F334-K336 VanDerWaalsContact C-N 3.31Å; F334-K336 PolarHBondContact O-N 2.86Å; K336-C339 PolarHBondContact O-N 3.07Å; K336-A340 WeakPolarHBondContact O-CB 3.26Å; K336-A340 PolarHBondContact O-N 3.41Å; K336-A380 HydrophobicContact CD-CB 3.93Å; K336-D383 HydrophobicContact CD-CB 4.16Å; K336-D383 WeakPolarHBondContact CE-OD2 3.43Å; K336-D383 HydrophobicContact CG-CB 4.39Å; K336-D383 IonicContact NZ-OD2 3.21Å; K336-D383 PolarHBondContact NZ-OD2 2.87Å; K336-I384 HydrophobicContact CB-CD1 4.07Å; K336-I384 HydrophobicContact CB-CG1 3.89Å
337E92.6Very high92Very high22 Ų2234.6 Ų34.610%0.10318%0.175CC..Hα-helixtrans-60.3-48.3175.5-74.6173.2-16300110.5N333 F334 C339 A340 F341 V801 L803N333-E337 PolarHBondContact O-N 3.34Å; F334-E337 PolarHBondContact O-N 2.73Å; E337-C339 PolarHBondContact O-N 3.22Å; E337-A340 CarbonylContact O-C 3.59Å; E337-A340 WeakPolarHBondContact O-CA 3.42Å; E337-A340 WeakPolarHBondContact O-CB 3.35Å; E337-A340 PolarHBondContact O-N 2.94Å; E337-F341 HydrophobicContact CB-CD2 4.34Å; E337-F341 HydrophobicContact CB-CE2 4.41Å; E337-F341 WeakPolarHBondContact O-CD2 3.28Å; E337-F341 PolarHBondContact O-N 3Å; E337-V801 HydrophobicContact CG-CG1 4.45Å; E337-L803 HydrophobicContact CB-CD1 4.32Å; E337-L803 VanDerWaalsContact OE2-CA 3.24Å; E337-L803 WeakPolarHBondContact OE2-CA 3.33Å
338F93.5Very high91.8Very high0 Ų039.7 Ų39.70%020%0.199CC..Hα-helixtrans-54.5-41.5178.2-170.9-140.5000112.3V301 L304 L311 F334 L335 S342 F353 L357V301-F338 HydrophobicContact CB-CE2 4.38Å; V301-F338 HydrophobicContact CG1-CD2 4.5Å; V301-F338 HydrophobicContact CG1-CE2 3.94Å; L304-F338 HydrophobicContact CB-CE2 3.61Å; L304-F338 HydrophobicContact CB-CZ 3.69Å; L304-F338 HydrophobicContact CD1-CD2 4.2Å; L304-F338 HydrophobicContact CD1-CE2 3.93Å; L304-F338 HydrophobicContact CG-CE2 4.45Å; L311-F338 HydrophobicContact CD2-CE1 3.8Å; L311-F338 HydrophobicContact CD2-CZ 4.43Å; F334-F338 HydrophobicContact CE1-CB 4.36Å; F334-F338 VanDerWaalsContact O-CB 3.29Å; F334-F338 WeakPolarHBondContact O-CB 3.36Å; F334-F338 PolarHBondContact O-N 2.71Å; L335-F338 HydrophobicContact CD1-CD1 4.39Å; L335-F338 PolarHBondContact O-N 3.4Å; F338-S342 PolarHBondContact O-N 3.09Å; F338-F353 HydrophobicContact CD1-CE2 4.05Å; F338-F353 AromaticContact CD1-CZ 3.93Å; F338-F353 HydrophobicContact CD1-CZ 3.93Å; F338-F353 HydrophobicContact CD2-CE2 4.14Å; F338-F353 HydrophobicContact CD2-CZ 4.34Å; F338-F353 AromaticContact CE1-CE2 3.61Å; F338-F353 HydrophobicContact CE1-CE2 3.61Å; F338-F353 AromaticContact CE1-CZ 3.93Å; F338-F353 HydrophobicContact CE1-CZ 3.93Å; F338-F353 AromaticContact CE2-CE2 3.71Å; F338-F353 HydrophobicContact CE2-CE2 3.71Å; F338-F353 HydrophobicContact CE2-CZ 4.34Å; F338-F353 HydrophobicContact CG-CE2 4.31Å; F338-F353 HydrophobicContact CG-CZ 4.15Å; F338-F353 HydrophobicContact CZ-CD2 4.41Å; F338-F353 AromaticContact CZ-CE2 3.44Å; F338-F353 HydrophobicContact CZ-CE2 3.44Å; F338-F353 VanDerWaalsContact CZ-CE2 3.44Å; F338-F353 HydrophobicContact CZ-CZ 4.16Å; F338-L357 HydrophobicContact CE1-CD2 4.1Å
339C93.8Very high91.5Very high0 Ų042.8 Ų42.80%022%0.217CC..Hα-helixtrans-68.9-38.9172.5-66.40000112.9L335 K336 E337 S342 Y387L335-C339 WeakPolarHBondContact O-CB 3.38Å; L335-C339 PolarHBondContact O-N 3.36Å; L335-C339 PolarHBondContact O-SG 3.01Å; K336-C339 PolarHBondContact O-N 3.07Å; E337-C339 PolarHBondContact O-N 3.22Å; C339-S342 VanDerWaalsContact O-CB 3.25Å; C339-S342 WeakPolarHBondContact O-CB 3.27Å; C339-S342 PolarHBondContact O-N 3.34Å; C339-S342 PolarHBondContact O-OG 3.27Å; C339-Y387 HydrophobicContact CB-CD2 3.52Å; C339-Y387 HydrophobicContact CB-CE2 4.07Å; C339-Y387 HydrophobicContact CB-CG 4.24Å
340A91.1Very high91.3Very high30 Ų3042.8 Ų42.825%0.24822%0.215CC..Hα-helixtrans-63.7-40.9175.600000112K336 E337 S342 Q343 Y387K336-A340 WeakPolarHBondContact O-CB 3.26Å; K336-A340 PolarHBondContact O-N 3.41Å; E337-A340 CarbonylContact O-C 3.59Å; E337-A340 WeakPolarHBondContact O-CA 3.42Å; E337-A340 WeakPolarHBondContact O-CB 3.35Å; E337-A340 PolarHBondContact O-N 2.94Å; A340-S342 PolarHBondContact O-N 2.91Å; A340-Q343 VanDerWaalsContact O-CB 3.28Å; A340-Q343 WeakPolarHBondContact O-CB 3.42Å; A340-Q343 WeakPolarHBondContact O-CG 3.36Å; A340-Q343 PolarHBondContact O-N 3.43Å; A340-Q343 VanDerWaalsContact O-N 3.13Å; A340-Y387 HydrophobicContact CB-CE2 4.2Å; A340-Y387 WeakPolarHBondContact CB-OH 3.33Å
341F87.9Confident91Very high17 Ų1744.1 Ų44.18%0.07522%0.223CC..Hα-helixtrans-66.6-23.4175.8-82.7-85.3000112.7K297 V301 E337 Q343 T344 V801 L803K297-F341 HydrophobicContact CB-CD1 4.19Å; K297-F341 HydrophobicContact CB-CE1 4.46Å; K297-F341 HydrophobicContact CD-CD1 4.04Å; K297-F341 HydrophobicContact CD-CE1 3.58Å; K297-F341 HydrophobicContact CG-CD1 4.07Å; K297-F341 HydrophobicContact CG-CE1 3.84Å; V301-F341 HydrophobicContact CG2-CB 3.73Å; E337-F341 HydrophobicContact CB-CD2 4.34Å; E337-F341 HydrophobicContact CB-CE2 4.41Å; E337-F341 WeakPolarHBondContact O-CD2 3.28Å; E337-F341 PolarHBondContact O-N 3Å; F341-Q343 PolarHBondContact O-N 3.26Å; F341-Q343 VanDerWaalsContact O-N 3.07Å; F341-T344 WeakPolarHBondContact O-CB 3.32Å; F341-T344 PolarHBondContact O-N 3.47Å; F341-T344 PolarHBondContact O-OG1 3.34Å; F341-V801 VanDerWaalsContact CZ-O 3.27Å; F341-V801 WeakPolarHBondContact CZ-O 3.34Å; F341-L803 HydrophobicContact CB-CD1 4.48Å; F341-L803 HydrophobicContact CD2-CB 4.18Å; F341-L803 HydrophobicContact CD2-CD1 3.42Å; F341-L803 VanDerWaalsContact CD2-CD1 3.42Å; F341-L803 HydrophobicContact CD2-CG 4.39Å; F341-L803 HydrophobicContact CE2-CB 3.71Å; F341-L803 HydrophobicContact CE2-CD1 3.83Å; F341-L803 HydrophobicContact CE2-CG 4.39Å; F341-L803 HydrophobicContact CG-CD1 4.02Å; F341-L803 HydrophobicContact CZ-CB 3.96Å
342S87.5Confident90.8Very high0 Ų046.2 Ų46.20%024%0.241CC..G310 helixtrans-59.4-19.4172.5840000113.3F338 C339 A340 T344 L345 R350 F353 F354F338-S342 PolarHBondContact O-N 3.09Å; C339-S342 VanDerWaalsContact O-CB 3.25Å; C339-S342 WeakPolarHBondContact O-CB 3.27Å; C339-S342 PolarHBondContact O-N 3.34Å; C339-S342 PolarHBondContact O-OG 3.27Å; A340-S342 PolarHBondContact O-N 2.91Å; S342-T344 PolarHBondContact O-N 2.9Å; S342-L345 VanDerWaalsContact O-CB 3.29Å; S342-L345 WeakPolarHBondContact O-CB 3.27Å; S342-L345 PolarHBondContact O-N 3.03Å; S342-R350 WeakPolarHBondContact O-CD 3.49Å; S342-F353 VanDerWaalsContact CB-CE1 3.46Å; S342-F354 WeakPolarHBondContact OG-CZ 3.46Å
343Q86.4Confident90.7Very high104 Ų10446.2 Ų46.249%0.48624%0.241SC..G310 helixtrans-63.7-22.4173.5-61.7-163.9-2100113.2A340 F341 L345 Y391A340-Q343 VanDerWaalsContact O-CB 3.28Å; A340-Q343 WeakPolarHBondContact O-CB 3.42Å; A340-Q343 WeakPolarHBondContact O-CG 3.36Å; A340-Q343 PolarHBondContact O-N 3.43Å; A340-Q343 VanDerWaalsContact O-N 3.13Å; F341-Q343 PolarHBondContact O-N 3.26Å; F341-Q343 VanDerWaalsContact O-N 3.07Å; Q343-L345 VanDerWaalsContact C-N 3.28Å; Q343-Y391 WeakPolarHBondContact CG-OH 3.23Å
344T85.3Confident90.5Very high29 Ų2944.2 Ų44.218%0.17823%0.23CC..G310 helixtrans-77.1-16.117567.10000112.7F294 F341 S342F294-T344 HydrophobicContact CD2-CG2 4.24Å; F294-T344 HydrophobicContact CE2-CG2 4.06Å; F294-T344 WeakPolarHBondContact CZ-O 2.96Å; F341-T344 WeakPolarHBondContact O-CB 3.32Å; F341-T344 PolarHBondContact O-N 3.47Å; F341-T344 PolarHBondContact O-OG1 3.34Å; S342-T344 PolarHBondContact O-N 2.9Å
345L88.7Confident90.3Very high11 Ų1148.7 Ų48.76%0.05825%0.249CC..SBendtrans-75.1147.1-179.9-57.9178.5000111.3V298 V301 S342 Q343 N349 R350 F353V298-L345 HydrophobicContact CB-CD2 4.34Å; V298-L345 HydrophobicContact CG1-CD2 3.88Å; V298-L345 HydrophobicContact CG2-CD2 4.33Å; V301-L345 HydrophobicContact CB-CD2 4.36Å; V301-L345 HydrophobicContact CG1-CD1 3.85Å; V301-L345 HydrophobicContact CG1-CD2 4.13Å; V301-L345 HydrophobicContact CG1-CG 4.26Å; S342-L345 VanDerWaalsContact O-CB 3.29Å; S342-L345 WeakPolarHBondContact O-CB 3.27Å; S342-L345 PolarHBondContact O-N 3.03Å; Q343-L345 VanDerWaalsContact C-N 3.28Å; L345-N349 HydrophobicContact CB-CB 4.31Å; L345-R350 HydrophobicContact CB-CB 4.02Å; L345-F353 HydrophobicContact CD1-CB 3.94Å; L345-F353 HydrophobicContact CD1-CD2 4.31Å; L345-F353 HydrophobicContact CD1-CG 4.16Å
346Q88.3Confident90.2Very high134 Ų13450.7 Ų50.763%0.62626%0.261SS*.  trans-61.7150.4167.2-64.6-177.57.200110.3Q348 N349 R350Q346-Q348 VanDerWaalsContact C-N 3.26Å; Q346-Q348 PolarHBondContact O-N 2.92Å; Q346-N349 PolarHBondContact O-N 3.32Å; Q346-R350 PolarHBondContact O-N 2.97Å
347P87.6Confident90.2Very high84 Ų8447.6 Ų47.655%0.54525%0.248SC..Hα-helixtrans-50.5-40.4-173.9-30.335.4000114.8R350 D351P347-R350 PolarHBondContact O-N 3.48Å; P347-D351 VanDerWaalsContact O-CG 3.28Å; P347-D351 PolarHBondContact O-N 3.46Å
348Q88.1Confident90.1Very high155 Ų15548.1 Ų48.172%0.72425%0.254SS*.Hα-helixtrans-66-43.3179.2-67179.7-15.100113.1Q346 R350 D351 A352Q346-Q348 VanDerWaalsContact C-N 3.26Å; Q346-Q348 PolarHBondContact O-N 2.92Å; Q348-R350 VanDerWaalsContact C-N 3.34Å; Q348-D351 PolarHBondContact O-N 3.1Å; Q348-A352 PolarHBondContact O-N 3.24Å; Q348-A352 VanDerWaalsContact O-N 3.15Å
349N89.6Confident90Very high81 Ų8154.4 Ų54.443%0.43329%0.288SS..Hα-helixtrans-71.5-34.7178.2-68.2-5.9000110.7L345 Q346 A352 F353L345-N349 HydrophobicContact CB-CB 4.31Å; Q346-N349 PolarHBondContact O-N 3.32Å; N349-A352 WeakPolarHBondContact O-CB 3.14Å; N349-A352 PolarHBondContact O-N 2.88Å; N349-F353 WeakPolarHBondContact O-CB 3.33Å; N349-F353 PolarHBondContact O-N 3.41Å
350R88.8Confident89.9Confident53 Ų5357.2 Ų57.220%0.230%0.302CS..Hα-helixtrans-65.2-40.8174.7-165.4174.963.5-170.22.7112.3S342 L345 Q346 P347 Q348 A352 F353 F354 Y391S342-R350 WeakPolarHBondContact O-CD 3.49Å; L345-R350 HydrophobicContact CB-CB 4.02Å; Q346-R350 PolarHBondContact O-N 2.97Å; P347-R350 PolarHBondContact O-N 3.48Å; Q348-R350 VanDerWaalsContact C-N 3.34Å; R350-A352 VanDerWaalsContact C-N 3.32Å; R350-A352 PolarHBondContact O-N 3.12Å; R350-F353 WeakPolarHBondContact O-CB 3.37Å; R350-F353 PolarHBondContact O-N 3.08Å; R350-F354 HydrophobicContact CG-CD2 3.91Å; R350-F354 HydrophobicContact CG-CE2 3.64Å; R350-F354 VanDerWaalsContact O-CD2 3.3Å; R350-F354 WeakPolarHBondContact O-CD2 3.36Å; R350-F354 PolarHBondContact O-N 3.36Å; R350-Y391 VanDerWaalsContact NE-CE1 3.28Å; R350-Y391 PolarHBondContact NH1-OH 3.23Å
351D88.8Confident89.9Confident71 Ų7156.7 Ų56.738%0.3830%0.299SS..Hα-helixtrans-62.6-40.7173.2-72.6-11000111.4P347 Q348 K355P347-D351 VanDerWaalsContact O-CG 3.28Å; P347-D351 PolarHBondContact O-N 3.46Å; Q348-D351 PolarHBondContact O-N 3.1Å; D351-K355 WeakPolarHBondContact O-CB 3.21Å; D351-K355 VanDerWaalsContact O-CG 3.22Å; D351-K355 WeakPolarHBondContact O-CG 3.39Å; D351-K355 PolarHBondContact O-N 3.36Å; D351-K355 VanDerWaalsContact O-N 3.1Å
352A91.3Very high90.2Very high44 Ų4455.9 Ų55.936%0.36430%0.296SS..Hα-helixtrans-63.8-42.4174.700000111.6Q305 Q348 N349 R350 K355 T356Q305-A352 PolarHBondContact NE2-O 2.98Å; Q348-A352 PolarHBondContact O-N 3.24Å; Q348-A352 VanDerWaalsContact O-N 3.15Å; N349-A352 WeakPolarHBondContact O-CB 3.14Å; N349-A352 PolarHBondContact O-N 2.88Å; R350-A352 VanDerWaalsContact C-N 3.32Å; R350-A352 PolarHBondContact O-N 3.12Å; A352-K355 WeakPolarHBondContact O-CB 3.29Å; A352-K355 PolarHBondContact O-N 3.27Å; A352-T356 PolarHBondContact O-N 3.14Å; A352-T356 PolarHBondContact O-OG1 3.1Å
353F93.8Very high90.5Very high0 Ų056 Ų560%030%0.296CS..Hα-helixtrans-56.5-54.9176.1173.6-92.9000112.4V301 Q305 F338 S342 L345 N349 R350 K355 T356 L357V301-F353 HydrophobicContact CG1-CD2 3.99Å; V301-F353 HydrophobicContact CG1-CE2 3.86Å; Q305-F353 HydrophobicContact CB-CD2 4.43Å; Q305-F353 HydrophobicContact CG-CD2 4.35Å; Q305-F353 VanDerWaalsContact NE2-CA 3.34Å; F338-F353 HydrophobicContact CD1-CE2 4.05Å; F338-F353 AromaticContact CD1-CZ 3.93Å; F338-F353 HydrophobicContact CD1-CZ 3.93Å; F338-F353 HydrophobicContact CD2-CE2 4.14Å; F338-F353 HydrophobicContact CD2-CZ 4.34Å; F338-F353 AromaticContact CE1-CE2 3.61Å; F338-F353 HydrophobicContact CE1-CE2 3.61Å; F338-F353 AromaticContact CE1-CZ 3.93Å; F338-F353 HydrophobicContact CE1-CZ 3.93Å; F338-F353 AromaticContact CE2-CE2 3.71Å; F338-F353 HydrophobicContact CE2-CE2 3.71Å; F338-F353 HydrophobicContact CE2-CZ 4.34Å; F338-F353 HydrophobicContact CG-CE2 4.31Å; F338-F353 HydrophobicContact CG-CZ 4.15Å; F338-F353 HydrophobicContact CZ-CD2 4.41Å; F338-F353 AromaticContact CZ-CE2 3.44Å; F338-F353 HydrophobicContact CZ-CE2 3.44Å; F338-F353 VanDerWaalsContact CZ-CE2 3.44Å; F338-F353 HydrophobicContact CZ-CZ 4.16Å; S342-F353 VanDerWaalsContact CB-CE1 3.46Å; L345-F353 HydrophobicContact CD1-CB 3.94Å; L345-F353 HydrophobicContact CD1-CD2 4.31Å; L345-F353 HydrophobicContact CD1-CG 4.16Å; N349-F353 WeakPolarHBondContact O-CB 3.33Å; N349-F353 PolarHBondContact O-N 3.41Å; R350-F353 WeakPolarHBondContact O-CB 3.37Å; R350-F353 PolarHBondContact O-N 3.08Å; F353-K355 VanDerWaalsContact C-N 3.27Å; F353-K355 PolarHBondContact O-N 3.48Å; F353-T356 WeakPolarHBondContact O-CB 3.34Å; F353-T356 PolarHBondContact O-N 3.12Å; F353-T356 VanDerWaalsContact O-N 3.09Å; F353-L357 HydrophobicContact CD1-CD1 4.05Å; F353-L357 HydrophobicContact CE1-CD1 3.35Å; F353-L357 HydrophobicContact CE1-CG 4.22Å; F353-L357 HydrophobicContact CE2-CD1 4.3Å; F353-L357 HydrophobicContact CZ-CD1 3.51Å; F353-L357 HydrophobicContact CZ-CG 4.26Å; F353-L357 PolarHBondContact O-N 2.97Å
354F91.6Very high90.8Very high2 Ų253.7 Ų53.71%0.00929%0.29CS..Hα-helixtrans-67.3-28.2179.8-74.6-64.4000113S342 R350 L357 S358 L388 Y391 M395S342-F354 WeakPolarHBondContact OG-CZ 3.46Å; R350-F354 HydrophobicContact CG-CD2 3.91Å; R350-F354 HydrophobicContact CG-CE2 3.64Å; R350-F354 VanDerWaalsContact O-CD2 3.3Å; R350-F354 WeakPolarHBondContact O-CD2 3.36Å; R350-F354 PolarHBondContact O-N 3.36Å; F354-L357 HydrophobicContact CD1-CD1 4.43Å; F354-S358 WeakPolarHBondContact O-CB 3.22Å; F354-S358 PolarHBondContact O-N 2.82Å; F354-L388 HydrophobicContact CD1-CD2 3.5Å; F354-L388 VanDerWaalsContact CD1-CD2 3.5Å; F354-L388 HydrophobicContact CE1-CD2 3.92Å; F354-L388 HydrophobicContact CG-CD2 4.5Å; F354-Y391 AromaticContact CD2-CD2 3.96Å; F354-Y391 HydrophobicContact CD2-CD2 3.96Å; F354-Y391 HydrophobicContact CD2-CG 4.12Å; F354-Y391 HydrophobicContact CE1-CD2 4.43Å; F354-Y391 AromaticContact CE2-CD2 3.09Å; F354-Y391 HydrophobicContact CE2-CD2 3.09Å; F354-Y391 AromaticContact CE2-CE2 3.73Å; F354-Y391 HydrophobicContact CE2-CE2 3.73Å; F354-Y391 AromaticContact CE2-CG 3.66Å; F354-Y391 HydrophobicContact CE2-CG 3.66Å; F354-Y391 AromaticContact CZ-CD2 3.39Å; F354-Y391 HydrophobicContact CZ-CD2 3.39Å; F354-Y391 AromaticContact CZ-CE2 3.88Å; F354-Y391 HydrophobicContact CZ-CE2 3.88Å; F354-Y391 HydrophobicContact CZ-CG 4.33Å; F354-M395 HydrophobicContact CB-CE 4.49Å
355K91Very high91.2Very high118 Ų11852.3 Ų52.351%0.51328%0.282SS..Hα-helixtrans-66-43.1169.7-76.7172-176.1172.80111.9D351 A352 F353 S358 N359D351-K355 WeakPolarHBondContact O-CB 3.21Å; D351-K355 VanDerWaalsContact O-CG 3.22Å; D351-K355 WeakPolarHBondContact O-CG 3.39Å; D351-K355 PolarHBondContact O-N 3.36Å; D351-K355 VanDerWaalsContact O-N 3.1Å; A352-K355 WeakPolarHBondContact O-CB 3.29Å; A352-K355 PolarHBondContact O-N 3.27Å; F353-K355 VanDerWaalsContact C-N 3.27Å; F353-K355 PolarHBondContact O-N 3.48Å; K355-S358 PolarHBondContact O-N 3.29Å; K355-N359 WeakPolarHBondContact O-CB 3.5Å; K355-N359 PolarHBondContact O-N 3.04Å; K355-N359 PolarHBondContact O-ND2 3.47Å
356T93.4Very high91.5Very high42 Ų4251.9 Ų51.926%0.25828%0.28SS..Hα-helixtrans-59.2-51174.7-61.70000110.4Q305 L311 A352 F353 S358 N359 M360Q305-T356 HydrophobicContact CG-CG2 4.11Å; Q305-T356 PolarHBondContact NE2-OG1 3.5Å; Q305-T356 VanDerWaalsContact NE2-OG1 3.17Å; L311-T356 HydrophobicContact CD1-CG2 4.04Å; A352-T356 PolarHBondContact O-N 3.14Å; A352-T356 PolarHBondContact O-OG1 3.1Å; F353-T356 WeakPolarHBondContact O-CB 3.34Å; F353-T356 PolarHBondContact O-N 3.12Å; F353-T356 VanDerWaalsContact O-N 3.09Å; T356-S358 VanDerWaalsContact C-N 3.32Å; T356-S358 PolarHBondContact O-N 3.18Å; T356-N359 PolarHBondContact O-N 3.42Å; T356-M360 HydrophobicContact CG2-CG 4.37Å; T356-M360 VanDerWaalsContact O-CG 3.25Å; T356-M360 WeakPolarHBondContact O-CG 3.29Å; T356-M360 PolarHBondContact O-N 2.92Å
357L93.9Very high91.7Very high2 Ų247.5 Ų47.51%0.0126%0.259CS..Hα-helixtrans-61.7-39.1179-64.5-174.4000112.9L311 F315 F338 F353 F354 M360 G361 I362L311-L357 HydrophobicContact CD2-CD2 4.37Å; F315-L357 HydrophobicContact CE2-CD2 4.31Å; F315-L357 HydrophobicContact CZ-CD2 4.17Å; F338-L357 HydrophobicContact CE1-CD2 4.1Å; F353-L357 HydrophobicContact CD1-CD1 4.05Å; F353-L357 HydrophobicContact CE1-CD1 3.35Å; F353-L357 HydrophobicContact CE1-CG 4.22Å; F353-L357 HydrophobicContact CE2-CD1 4.3Å; F353-L357 HydrophobicContact CZ-CD1 3.51Å; F353-L357 HydrophobicContact CZ-CG 4.26Å; F353-L357 PolarHBondContact O-N 2.97Å; F354-L357 HydrophobicContact CD1-CD1 4.43Å; L357-M360 PolarHBondContact O-N 3.49Å; L357-G361 PolarHBondContact O-N 2.88Å; L357-I362 HydrophobicContact CB-CB 4.24Å; L357-I362 HydrophobicContact CB-CD1 4.11Å; L357-I362 HydrophobicContact CB-CG2 4.1Å; L357-I362 HydrophobicContact CD1-CD1 3.91Å; L357-I362 WeakPolarHBondContact O-CB 3.48Å; L357-I362 WeakPolarHBondContact O-CG2 3.42Å; L357-I362 PolarHBondContact O-N 3.19Å
358S91.1Very high91.9Very high34 Ų3446.9 Ų46.924%0.23825%0.254CS..Hα-helixtrans-59.4-49.9174.2-176.20000111.6F354 K355 T356 M360 G361 M395F354-S358 WeakPolarHBondContact O-CB 3.22Å; F354-S358 PolarHBondContact O-N 2.82Å; K355-S358 PolarHBondContact O-N 3.29Å; T356-S358 VanDerWaalsContact C-N 3.32Å; T356-S358 PolarHBondContact O-N 3.18Å; S358-M360 VanDerWaalsContact C-N 3.26Å; S358-M360 PolarHBondContact O-N 3.02Å; S358-G361 PolarHBondContact O-N 3.44Å; S358-M395 VanDerWaalsContact OG-CG 3.29Å; S358-M395 WeakPolarHBondContact OG-CG 3.42Å; S358-M395 PolarHBondContact OG-SD 3.4Å
359N91.3Very high92.1Very high131 Ų13139.5 Ų39.570%0.70122%0.219SC*.Hα-helixtrans-64.2-29.8178.5-68.7-23.7000113.1K355 T356 G361K355-N359 WeakPolarHBondContact O-CB 3.5Å; K355-N359 PolarHBondContact O-N 3.04Å; K355-N359 PolarHBondContact O-ND2 3.47Å; T356-N359 PolarHBondContact O-N 3.42Å; N359-G361 VanDerWaalsContact C-N 3.28Å
360M91.2Very high92.2Very high59 Ų5935.7 Ų35.729%0.29120%0.199SC..THydrogen-bonded Turntrans-79.4-6.5175.9-66.6-68.997.100113.6E308 L311 F315 T356 L357 S358E308-M360 HydrophobicContact CG-SD 4.34Å; L311-M360 HydrophobicContact CB-CG 4.46Å; L311-M360 HydrophobicContact CD1-CG 4.46Å; F315-M360 HydrophobicContact CD2-CB 3.77Å; F315-M360 HydrophobicContact CE2-CB 3.6Å; T356-M360 HydrophobicContact CG2-CG 4.37Å; T356-M360 VanDerWaalsContact O-CG 3.25Å; T356-M360 WeakPolarHBondContact O-CG 3.29Å; T356-M360 PolarHBondContact O-N 2.92Å; L357-M360 PolarHBondContact O-N 3.49Å; S358-M360 VanDerWaalsContact C-N 3.26Å; S358-M360 PolarHBondContact O-N 3.02Å
361G91.4Very high92.1Very high19 Ų1935.5 Ų35.520%0.19621%0.214CC..THydrogen-bonded Turntrans93.832.1173.700000115.1L357 S358 N359 L363 P364 A365L357-G361 PolarHBondContact O-N 2.88Å; S358-G361 PolarHBondContact O-N 3.44Å; N359-G361 VanDerWaalsContact C-N 3.28Å; G361-L363 VanDerWaalsContact C-N 3.31Å; G361-L363 PolarHBondContact O-N 3.21Å; G361-P364 WeakPolarHBondContact O-CD 3.42Å; G361-A365 WeakPolarHBondContact O-CB 3.43Å; G361-A365 PolarHBondContact O-N 3.47Å
362I95.3Very high92.1Very high0 Ų034.6 Ų34.60%021%0.208CC..Hα-helixtrans-58.5-38.8175.7-168.1163.3000113.4F315 L335 L357 A365 L366 I384 L388F315-I362 HydrophobicContact CE1-CB 3.84Å; F315-I362 HydrophobicContact CE1-CG1 3.94Å; F315-I362 HydrophobicContact CZ-CB 3.84Å; F315-I362 HydrophobicContact CZ-CD1 4.42Å; F315-I362 HydrophobicContact CZ-CG1 4.17Å; L335-I362 HydrophobicContact CD1-CD1 4.16Å; L335-I362 HydrophobicContact CD2-CD1 4.19Å; L335-I362 HydrophobicContact CD2-CG1 4.33Å; L335-I362 HydrophobicContact CG-CD1 4.49Å; L357-I362 HydrophobicContact CB-CB 4.24Å; L357-I362 HydrophobicContact CB-CD1 4.11Å; L357-I362 HydrophobicContact CB-CG2 4.1Å; L357-I362 HydrophobicContact CD1-CD1 3.91Å; L357-I362 WeakPolarHBondContact O-CB 3.48Å; L357-I362 WeakPolarHBondContact O-CG2 3.42Å; L357-I362 PolarHBondContact O-N 3.19Å; I362-A365 PolarHBondContact O-N 2.9Å; I362-L366 HydrophobicContact CG1-CD1 4.27Å; I362-L366 HydrophobicContact CG1-CG 4.37Å; I362-L366 VanDerWaalsContact O-CG 3.29Å; I362-L366 WeakPolarHBondContact O-CG 3.47Å; I362-L366 PolarHBondContact O-N 2.93Å; I362-I384 HydrophobicContact CD1-CG2 3.84Å; I362-I384 HydrophobicContact CG1-CG2 4.42Å; I362-L388 HydrophobicContact CD1-CD1 4.29Å; I362-L388 HydrophobicContact CD1-CD2 4.4Å; I362-L388 HydrophobicContact CG1-CD1 4.28Å; I362-L388 HydrophobicContact CG2-CD1 4.08Å; I362-L388 HydrophobicContact CG2-CD2 4.22Å
363L94.3Very high91.8Very high3 Ų339.8 Ų39.82%0.01623%0.23CC..Hα-helixtrans-68.7-48.4-179.2-72.4172.7000112.8G361 A365 L366 E367 F385 L388 M395 V396 F399 L426G361-L363 VanDerWaalsContact C-N 3.31Å; G361-L363 PolarHBondContact O-N 3.21Å; L363-A365 PolarHBondContact O-N 3.06Å; L363-L366 HydrophobicContact CD2-CD1 4.46Å; L363-L366 PolarHBondContact O-N 3.14Å; L363-E367 PolarHBondContact O-N 2.73Å; L363-F385 HydrophobicContact CD2-CD2 4.41Å; L363-F385 HydrophobicContact CD2-CE2 4.29Å; L363-L388 HydrophobicContact CD2-CD1 3.8Å; L363-L388 HydrophobicContact CG-CD1 4.44Å; L363-M395 HydrophobicContact CD1-SD 3.57Å; L363-M395 VanDerWaalsContact CD1-SD 3.57Å; L363-M395 HydrophobicContact CG-SD 4.33Å; L363-V396 HydrophobicContact CD2-CG2 4.37Å; L363-F399 HydrophobicContact CB-CD1 3.71Å; L363-F399 HydrophobicContact CB-CD2 3.9Å; L363-F399 HydrophobicContact CB-CE1 3.78Å; L363-F399 HydrophobicContact CB-CE2 3.98Å; L363-F399 HydrophobicContact CB-CG 3.77Å; L363-F399 HydrophobicContact CB-CZ 3.91Å; L363-F399 HydrophobicContact CD1-CB 3.37Å; L363-F399 HydrophobicContact CD1-CD1 3.84Å; L363-F399 HydrophobicContact CD1-CD2 4.12Å; L363-F399 HydrophobicContact CD1-CG 3.48Å; L363-F399 VanDerWaalsContact CD1-CG 3.48Å; L363-F399 HydrophobicContact CG-CD1 4.28Å; L363-F399 HydrophobicContact CG-CG 4.25Å; L363-L426 HydrophobicContact CD2-CD2 3.97Å
364P92.7Very high91.6Very high55 Ų5542 Ų4236%0.35724%0.241SC..Hα-helixtrans-54.4-39.6168-26.731.3000113.4G361 E367 V368 F399G361-P364 WeakPolarHBondContact O-CD 3.42Å; P364-E367 WeakPolarHBondContact O-CB 3.39Å; P364-E367 PolarHBondContact O-N 3.16Å; P364-V368 WeakPolarHBondContact O-CG2 2.75Å; P364-V368 PolarHBondContact O-N 3.39Å; P364-F399 VanDerWaalsContact CD-CE2 3.48Å; P364-F399 HydrophobicContact CG-CE2 3.66Å; P364-F399 HydrophobicContact CG-CZ 3.97Å
365A93.7Very high91.4Very high1 Ų146.4 Ų46.41%0.00827%0.269CS..Hα-helixtrans-64.6-44.4177.400000111.5F315 L318 T319 G361 I362 L363 E367 V368 I369F315-A365 HydrophobicContact CD1-CB 3.8Å; F315-A365 HydrophobicContact CE1-CB 4.3Å; L318-A365 HydrophobicContact CD2-CB 4.21Å; T319-A365 HydrophobicContact CG2-CB 3.72Å; G361-A365 WeakPolarHBondContact O-CB 3.43Å; G361-A365 PolarHBondContact O-N 3.47Å; I362-A365 PolarHBondContact O-N 2.9Å; L363-A365 PolarHBondContact O-N 3.06Å; A365-E367 VanDerWaalsContact C-N 3.33Å; A365-E367 PolarHBondContact O-N 2.98Å; A365-V368 PolarHBondContact O-N 2.86Å; A365-I369 HydrophobicContact CB-CD1 4.47Å; A365-I369 WeakPolarHBondContact O-CB 3.3Å; A365-I369 VanDerWaalsContact O-CD1 3.23Å; A365-I369 WeakPolarHBondContact O-CD1 3.49Å; A365-I369 WeakPolarHBondContact O-CG1 3.37Å; A365-I369 PolarHBondContact O-N 3.41Å
366L94.6Very high91.4Very high1 Ų146.7 Ų46.71%0.00527%0.272CS..Hα-helixtrans-62.6-37.7176-71.7173.4000112.6I362 L363 V368 I369 L370 A381 I384 F385 L388I362-L366 HydrophobicContact CG1-CD1 4.27Å; I362-L366 HydrophobicContact CG1-CG 4.37Å; I362-L366 VanDerWaalsContact O-CG 3.29Å; I362-L366 WeakPolarHBondContact O-CG 3.47Å; I362-L366 PolarHBondContact O-N 2.93Å; L363-L366 HydrophobicContact CD2-CD1 4.46Å; L363-L366 PolarHBondContact O-N 3.14Å; L366-V368 PolarHBondContact O-N 3.21Å; L366-I369 PolarHBondContact O-N 3.03Å; L366-L370 WeakPolarHBondContact O-CB 3.01Å; L366-L370 WeakPolarHBondContact O-CD1 3.34Å; L366-L370 WeakPolarHBondContact O-CG 3.35Å; L366-L370 PolarHBondContact O-N 3.03Å; L366-A381 HydrophobicContact CD2-CB 3.85Å; L366-I384 HydrophobicContact CD1-CG2 4.06Å; L366-I384 HydrophobicContact CD2-CB 4.06Å; L366-I384 HydrophobicContact CD2-CD1 4.47Å; L366-I384 HydrophobicContact CD2-CG2 3.97Å; L366-I384 HydrophobicContact CG-CG2 4.48Å; L366-F385 HydrophobicContact CD1-CB 4.25Å; L366-F385 HydrophobicContact CD1-CD2 4.23Å; L366-L388 HydrophobicContact CD1-CD1 3.44Å; L366-L388 VanDerWaalsContact CD1-CD1 3.44Å
367E92.1Very high91.3Very high43 Ų4344.8 Ų44.820%0.20126%0.26CS..Hα-helixtrans-57.6-48.2174.5-169.8-163.7145.200111.3L363 P364 A365 G371 E403 L426 L429L363-E367 PolarHBondContact O-N 2.73Å; P364-E367 WeakPolarHBondContact O-CB 3.39Å; P364-E367 PolarHBondContact O-N 3.16Å; A365-E367 VanDerWaalsContact C-N 3.33Å; A365-E367 PolarHBondContact O-N 2.98Å; E367-G371 PolarHBondContact O-N 3.33Å; E367-G371 VanDerWaalsContact O-N 3.15Å; E367-E403 VanDerWaalsContact CD-OE1 3.31Å; E367-L426 HydrophobicContact CB-CD1 4.16Å; E367-L426 HydrophobicContact CG-CB 4.37Å; E367-L429 HydrophobicContact CG-CD1 3.96Å; E367-L429 WeakPolarHBondContact O-CD1 3.3Å
368V91.3Very high91.2Very high70 Ų7047.4 Ų47.442%0.42427%0.27SS..Hα-helixtrans-61.8-47.8176.7173.90000111.2T319 P364 A365 L366 G371 M372T319-V368 HydrophobicContact CG2-CB 4.41Å; T319-V368 HydrophobicContact CG2-CG2 4.44Å; P364-V368 WeakPolarHBondContact O-CG2 2.75Å; P364-V368 PolarHBondContact O-N 3.39Å; A365-V368 PolarHBondContact O-N 2.86Å; L366-V368 PolarHBondContact O-N 3.21Å; V368-G371 PolarHBondContact O-N 3Å; V368-M372 WeakPolarHBondContact O-CG 3.29Å
369I92.1Very high91.2Very high1 Ų148.9 Ų48.91%0.00528%0.28CS..Hα-helixtrans-67.6-43.1-175.3-64.5160.7000111.7L318 V332 A365 L366 G371 M372 V377 A381L318-I369 HydrophobicContact CD1-CD1 3.91Å; L318-I369 HydrophobicContact CD1-CG1 4.49Å; L318-I369 HydrophobicContact CD2-CD1 3.39Å; L318-I369 HydrophobicContact CG-CD1 3.42Å; L318-I369 VanDerWaalsContact CG-CD1 3.42Å; L318-I369 HydrophobicContact CG-CG1 4.11Å; V332-I369 HydrophobicContact CG2-CD1 4.03Å; V332-I369 HydrophobicContact CG2-CG2 4.16Å; A365-I369 HydrophobicContact CB-CD1 4.47Å; A365-I369 WeakPolarHBondContact O-CB 3.3Å; A365-I369 VanDerWaalsContact O-CD1 3.23Å; A365-I369 WeakPolarHBondContact O-CD1 3.49Å; A365-I369 WeakPolarHBondContact O-CG1 3.37Å; A365-I369 PolarHBondContact O-N 3.41Å; L366-I369 PolarHBondContact O-N 3.03Å; I369-G371 PolarHBondContact O-N 3.37Å; I369-M372 VanDerWaalsContact O-CB 3.31Å; I369-M372 WeakPolarHBondContact O-CB 3.22Å; I369-M372 WeakPolarHBondContact O-CG 3.38Å; I369-M372 PolarHBondContact O-N 2.98Å; I369-V377 HydrophobicContact CG2-CG1 3.34Å; I369-A381 HydrophobicContact CB-CB 4.47Å; I369-A381 HydrophobicContact CG2-CB 3.78Å
370L91.9Very high91.3Very high0 Ų042.8 Ų42.80%025%0.248CC..Hα-helixtrans-65-26.2176-73167.7000111.3L366 M372 R378 A381 L426 I430 H433L366-L370 WeakPolarHBondContact O-CB 3.01Å; L366-L370 WeakPolarHBondContact O-CD1 3.34Å; L366-L370 WeakPolarHBondContact O-CG 3.35Å; L366-L370 PolarHBondContact O-N 3.03Å; L370-M372 PolarHBondContact O-N 2.97Å; L370-R378 HydrophobicContact CD2-CG 3.93Å; L370-A381 HydrophobicContact CD2-CB 3.82Å; L370-A381 HydrophobicContact CG-CB 4.05Å; L370-L426 HydrophobicContact CD1-CD1 3.72Å; L370-I430 HydrophobicContact CD1-CD1 3.68Å; L370-H433 PolarHBondContact O-CE1 2.9Å; L370-H433 PolarHBondContact O-NE2 3.33Å
371G88.1Confident91.5Very high50 Ų5040 Ų4052%0.51523%0.234SC..THydrogen-bonded Turntrans-71.5-6.7172.900000115E367 V368 I369E367-G371 PolarHBondContact O-N 3.33Å; E367-G371 VanDerWaalsContact O-N 3.15Å; V368-G371 PolarHBondContact O-N 3Å; I369-G371 PolarHBondContact O-N 3.37Å
372M88.3Confident91.6Very high52 Ų5239.6 Ų39.626%0.25623%0.228SC..SBendtrans-87.7152.8-177.3-53.6-174.372.100112.6R328 V368 I369 L370 D374 R378R328-M372 WeakPolarHBondContact CD-SD 3.36Å; V368-M372 WeakPolarHBondContact O-CG 3.29Å; I369-M372 VanDerWaalsContact O-CB 3.31Å; I369-M372 WeakPolarHBondContact O-CB 3.22Å; I369-M372 WeakPolarHBondContact O-CG 3.38Å; I369-M372 PolarHBondContact O-N 2.98Å; L370-M372 PolarHBondContact O-N 2.97Å; M372-D374 VanDerWaalsContact C-N 3.27Å; M372-D374 PolarHBondContact O-N 3.5Å; M372-R378 PolarHBondContact O-NE 3.1Å; M372-R378 PolarHBondContact O-NH2 3.35Å
373D85.4Confident91.6Very high153 Ų15341.2 Ų41.282%0.81824%0.237SC*.SBendtrans-76.8-5.9-178.3-72.5-34.9000114.6T375D373-T375 PolarHBondContact O-N 3.15Å
374D88.8Confident91.6Very high46 Ų4641.1 Ų41.125%0.24624%0.236CC..  trans-78.8116.6-178.8-174.3-35.7000112.3M372 Q376 V377 R378M372-D374 VanDerWaalsContact C-N 3.27Å; M372-D374 PolarHBondContact O-N 3.5Å; D374-Q376 PolarHBondContact OD1-N 3.42Å; D374-V377 HydrophobicContact CB-CB 3.9Å; D374-V377 HydrophobicContact CB-CG2 3.97Å; D374-V377 PolarHBondContact OD1-N 2.6Å; D374-V377 VanDerWaalsContact OD2-CG2 3.29Å; D374-V377 WeakPolarHBondContact OD2-CG2 3.27Å; D374-R378 WeakPolarHBondContact O-CB 3.43Å; D374-R378 PolarHBondContact O-N 3.07Å
375T88.3Confident91.8Very high95 Ų9538.5 Ų38.558%0.58322%0.219SC*.Hα-helixtrans-66.4-38.3-179.3-50.90000113.6D373 S379D373-T375 PolarHBondContact O-N 3.15Å; T375-S379 VanDerWaalsContact O-CB 3.31Å; T375-S379 WeakPolarHBondContact O-CB 3.43Å; T375-S379 PolarHBondContact O-N 2.7Å
376Q89.8Confident91.9Very high123 Ų12339.6 Ų39.658%0.57523%0.227SC*.Hα-helixtrans-71.1-45.9-177.6-70.7-177.3-2600110.1D374 R378 S379 A380D374-Q376 PolarHBondContact OD1-N 3.42Å; Q376-R378 VanDerWaalsContact C-N 3.34Å; Q376-R378 PolarHBondContact O-N 2.89Å; Q376-S379 PolarHBondContact O-N 2.78Å; Q376-A380 PolarHBondContact O-N 2.84Å
377V92.3Very high91.8Very high3 Ų341.4 Ų41.42%0.01823%0.234CC..Hα-helixtrans-61.3-44176.3175.60000110.7Q329 V332 I369 D374 A380 A381Q329-V377 HydrophobicContact CB-CG2 4.12Å; Q329-V377 HydrophobicContact CG-CG2 4.47Å; V332-V377 HydrophobicContact CG2-CG1 3.92Å; I369-V377 HydrophobicContact CG2-CG1 3.34Å; D374-V377 HydrophobicContact CB-CB 3.9Å; D374-V377 HydrophobicContact CB-CG2 3.97Å; D374-V377 PolarHBondContact OD1-N 2.6Å; D374-V377 VanDerWaalsContact OD2-CG2 3.29Å; D374-V377 WeakPolarHBondContact OD2-CG2 3.27Å; V377-A380 PolarHBondContact O-N 2.93Å; V377-A381 WeakPolarHBondContact O-CB 3.47Å; V377-A381 PolarHBondContact O-N 2.86Å
378R90.2Very high91.9Very high56 Ų5639.3 Ų39.321%0.21122%0.224CC..Hα-helixtrans-65.4-38.7177.6-174.4-170.1-58.1-169.211.3113.4L370 M372 D374 Q376 A381 T382 H433L370-R378 HydrophobicContact CD2-CG 3.93Å; M372-R378 PolarHBondContact O-NE 3.1Å; M372-R378 PolarHBondContact O-NH2 3.35Å; D374-R378 WeakPolarHBondContact O-CB 3.43Å; D374-R378 PolarHBondContact O-N 3.07Å; Q376-R378 VanDerWaalsContact C-N 3.34Å; Q376-R378 PolarHBondContact O-N 2.89Å; R378-A381 PolarHBondContact O-N 2.86Å; R378-T382 PolarHBondContact O-N 2.86Å; R378-T382 PolarHBondContact O-OG1 3.27Å; R378-H433 VanDerWaalsContact CD-CE1 3.43Å; R378-H433 WeakPolarHBondContact CD-CE1 3.35Å; R378-H433 WeakPolarHBondContact CD-ND1 3.22Å; R378-H433 PolarHBondContact NE-CE1 2.69Å; R378-H433 VanDerWaalsContact NE-CE1 3.33Å; R378-H433 PolarHBondContact NH1-CE1 2.97Å; R378-H433 PolarHBondContact NH1-ND1 2.97Å
379S91.6Very high92Very high65 Ų6536 Ų3646%0.45520%0.204SC..Hα-helixtrans-61.6-47.7174.8-178.30000110.6T375 Q376 A381 T382 D383T375-S379 VanDerWaalsContact O-CB 3.31Å; T375-S379 WeakPolarHBondContact O-CB 3.43Å; T375-S379 PolarHBondContact O-N 2.7Å; Q376-S379 PolarHBondContact O-N 2.78Å; S379-A381 PolarHBondContact O-N 2.83Å; S379-T382 WeakPolarHBondContact O-CB 3.46Å; S379-T382 PolarHBondContact O-N 2.97Å; S379-T382 VanDerWaalsContact O-N 3.1Å; S379-D383 PolarHBondContact O-N 2.83Å
380A94.3Very high92Very high3 Ų341.6 Ų41.63%0.02523%0.23CC..Hα-helixtrans-64.7-37.4176.400000112.7V332 K336 Q376 V377 T382 D383 I384V332-A380 HydrophobicContact CG1-CB 3.48Å; V332-A380 VanDerWaalsContact CG1-CB 3.48Å; K336-A380 HydrophobicContact CD-CB 3.93Å; Q376-A380 PolarHBondContact O-N 2.84Å; V377-A380 PolarHBondContact O-N 2.93Å; A380-T382 VanDerWaalsContact C-N 3.3Å; A380-T382 PolarHBondContact O-N 2.84Å; A380-D383 PolarHBondContact O-N 3.17Å; A380-I384 VanDerWaalsContact O-CG1 3.31Å; A380-I384 WeakPolarHBondContact O-CG1 3.13Å; A380-I384 PolarHBondContact O-N 2.68Å
381A94.6Very high91.7Very high0 Ų043.4 Ų43.40%024%0.237CC..Hα-helixtrans-62.2-36171.900000112.7L366 I369 L370 V377 R378 S379 I384 F385L366-A381 HydrophobicContact CD2-CB 3.85Å; I369-A381 HydrophobicContact CB-CB 4.47Å; I369-A381 HydrophobicContact CG2-CB 3.78Å; L370-A381 HydrophobicContact CD2-CB 3.82Å; L370-A381 HydrophobicContact CG-CB 4.05Å; V377-A381 WeakPolarHBondContact O-CB 3.47Å; V377-A381 PolarHBondContact O-N 2.86Å; R378-A381 PolarHBondContact O-N 2.86Å; S379-A381 PolarHBondContact O-N 2.83Å; A381-I384 PolarHBondContact O-N 3.14Å; A381-F385 WeakPolarHBondContact O-CB 3.29Å; A381-F385 PolarHBondContact O-N 3.3Å
382T93.6Very high91.7Very high11 Ų1143 Ų437%0.06722%0.223CC..Hα-helixtrans-65.5-41174.8-60.50000111.6R378 S379 A380 F385 S386 L448R378-T382 PolarHBondContact O-N 2.86Å; R378-T382 PolarHBondContact O-OG1 3.27Å; S379-T382 WeakPolarHBondContact O-CB 3.46Å; S379-T382 PolarHBondContact O-N 2.97Å; S379-T382 VanDerWaalsContact O-N 3.1Å; A380-T382 VanDerWaalsContact C-N 3.3Å; A380-T382 PolarHBondContact O-N 2.84Å; T382-F385 PolarHBondContact O-N 2.94Å; T382-S386 WeakPolarHBondContact O-CB 3.31Å; T382-S386 PolarHBondContact O-N 3.21Å; T382-L448 HydrophobicContact CG2-CD2 3.49Å; T382-L448 VanDerWaalsContact CG2-CD2 3.49Å; T382-L448 HydrophobicContact CG2-CG 4.08Å
383D94.5Very high91.9Very high35 Ų3541.3 Ų41.319%0.18722%0.216CC..Hα-helixtrans-64-43.6174.8-70-26000111.7K336 S379 A380 F385 S386 Y387 Q447K336-D383 HydrophobicContact CD-CB 4.16Å; K336-D383 WeakPolarHBondContact CE-OD2 3.43Å; K336-D383 HydrophobicContact CG-CB 4.39Å; K336-D383 IonicContact NZ-OD2 3.21Å; K336-D383 PolarHBondContact NZ-OD2 2.87Å; S379-D383 PolarHBondContact O-N 2.83Å; A380-D383 PolarHBondContact O-N 3.17Å; D383-F385 PolarHBondContact O-N 2.71Å; D383-S386 VanDerWaalsContact O-CB 3.27Å; D383-S386 WeakPolarHBondContact O-CB 3.44Å; D383-S386 PolarHBondContact O-N 2.99Å; D383-Y387 WeakPolarHBondContact O-CD2 3.09Å; D383-Y387 PolarHBondContact O-N 3.47Å; D383-Q447 PolarHBondContact OD1-NE2 3.2Å; D383-Q447 VanDerWaalsContact OD1-NE2 3.14Å
384I95.7Very high92.1Very high0 Ų035.3 Ų35.30%019%0.186CC..Hα-helixtrans-60.6-47174.8-64.5159.9000110.4V332 L335 K336 I362 L366 A380 A381 S386 Y387 L388V332-I384 HydrophobicContact CG1-CD1 3.99Å; L335-I384 HydrophobicContact CB-CD1 4.07Å; L335-I384 HydrophobicContact CD2-CD1 3.97Å; L335-I384 HydrophobicContact CG-CD1 3.83Å; L335-I384 HydrophobicContact CG-CG1 4.46Å; K336-I384 HydrophobicContact CB-CD1 4.07Å; K336-I384 HydrophobicContact CB-CG1 3.89Å; I362-I384 HydrophobicContact CD1-CG2 3.84Å; I362-I384 HydrophobicContact CG1-CG2 4.42Å; L366-I384 HydrophobicContact CD1-CG2 4.06Å; L366-I384 HydrophobicContact CD2-CB 4.06Å; L366-I384 HydrophobicContact CD2-CD1 4.47Å; L366-I384 HydrophobicContact CD2-CG2 3.97Å; L366-I384 HydrophobicContact CG-CG2 4.48Å; A380-I384 VanDerWaalsContact O-CG1 3.31Å; A380-I384 WeakPolarHBondContact O-CG1 3.13Å; A380-I384 PolarHBondContact O-N 2.68Å; A381-I384 PolarHBondContact O-N 3.14Å; I384-S386 VanDerWaalsContact C-N 3.26Å; I384-S386 PolarHBondContact O-N 2.52Å; I384-Y387 PolarHBondContact O-N 2.76Å; I384-L388 PolarHBondContact O-N 3.07Å
385F96.1Very high92.2Very high1 Ų134 Ų340%0.00418%0.179CC..Hα-helixtrans-60.8-36.8177-172.5-109.7000111.8L363 L366 A381 T382 D383 Y387 L388 V389 V396 L426 I430 L451 L455L363-F385 HydrophobicContact CD2-CD2 4.41Å; L363-F385 HydrophobicContact CD2-CE2 4.29Å; L366-F385 HydrophobicContact CD1-CB 4.25Å; L366-F385 HydrophobicContact CD1-CD2 4.23Å; A381-F385 WeakPolarHBondContact O-CB 3.29Å; A381-F385 PolarHBondContact O-N 3.3Å; T382-F385 PolarHBondContact O-N 2.94Å; D383-F385 PolarHBondContact O-N 2.71Å; F385-Y387 PolarHBondContact O-N 3.4Å; F385-L388 PolarHBondContact O-N 3.33Å; F385-V389 HydrophobicContact CD1-CG2 3.99Å; F385-V389 HydrophobicContact CE1-CG2 3.59Å; F385-V389 HydrophobicContact CE2-CG2 4.17Å; F385-V389 HydrophobicContact CG-CG2 4.43Å; F385-V389 HydrophobicContact CZ-CG2 3.69Å; F385-V389 WeakPolarHBondContact O-CG2 3.41Å; F385-V389 PolarHBondContact O-N 3.26Å; F385-V396 HydrophobicContact CE2-CG1 3.75Å; F385-V396 HydrophobicContact CZ-CG1 3.84Å; F385-L426 HydrophobicContact CE2-CD2 4.02Å; F385-I430 HydrophobicContact CD1-CD1 3.69Å; F385-I430 HydrophobicContact CD1-CG1 4.23Å; F385-I430 HydrophobicContact CE1-CD1 3.83Å; F385-I430 HydrophobicContact CE1-CG1 3.82Å; F385-I430 HydrophobicContact CE1-CG2 4.49Å; F385-I430 HydrophobicContact CG-CD1 4.24Å; F385-I430 HydrophobicContact CZ-CD1 4.46Å; F385-I430 HydrophobicContact CZ-CG1 4.17Å; F385-L451 HydrophobicContact CD1-CD1 3.67Å; F385-L451 HydrophobicContact CE1-CB 4.5Å; F385-L451 HydrophobicContact CE1-CD1 4.24Å; F385-L455 HydrophobicContact CE1-CD1 4.39Å; F385-L455 HydrophobicContact CZ-CD1 4.09Å
386S95.5Very high92.5Very high23 Ų2329.5 Ų29.516%0.16115%0.151CC..Hα-helixtrans-57.7-46.4174.3-171.90000111.9T382 D383 I384 L388 V389 E390T382-S386 WeakPolarHBondContact O-CB 3.31Å; T382-S386 PolarHBondContact O-N 3.21Å; D383-S386 VanDerWaalsContact O-CB 3.27Å; D383-S386 WeakPolarHBondContact O-CB 3.44Å; D383-S386 PolarHBondContact O-N 2.99Å; I384-S386 VanDerWaalsContact C-N 3.26Å; I384-S386 PolarHBondContact O-N 2.52Å; S386-L388 VanDerWaalsContact C-N 3.33Å; S386-L388 PolarHBondContact O-N 3.48Å; S386-V389 PolarHBondContact O-N 3.22Å; S386-E390 WeakPolarHBondContact O-CB 3.36Å; S386-E390 PolarHBondContact O-N 2.96Å
387Y93.7Very high92.7Very high39 Ų3923.6 Ų23.615%0.15312%0.124CC..Hα-helixtrans-60.7-42.9176-64.1-54.8000111.7C339 A340 D383 I384 F385 V389 E390 Y391C339-Y387 HydrophobicContact CB-CD2 3.52Å; C339-Y387 HydrophobicContact CB-CE2 4.07Å; C339-Y387 HydrophobicContact CB-CG 4.24Å; A340-Y387 HydrophobicContact CB-CE2 4.2Å; A340-Y387 WeakPolarHBondContact CB-OH 3.33Å; D383-Y387 WeakPolarHBondContact O-CD2 3.09Å; D383-Y387 PolarHBondContact O-N 3.47Å; I384-Y387 PolarHBondContact O-N 2.76Å; F385-Y387 PolarHBondContact O-N 3.4Å; Y387-V389 PolarHBondContact O-N 3.47Å; Y387-E390 PolarHBondContact O-N 3.33Å; Y387-Y391 HydrophobicContact CD1-CE2 4.14Å; Y387-Y391 WeakPolarHBondContact O-CB 3.44Å; Y387-Y391 WeakPolarHBondContact O-CD2 3.06Å; Y387-Y391 PolarHBondContact O-N 3.38Å; Y387-Y391 VanDerWaalsContact O-N 3.08Å
388L93.7Very high92.7Very high0 Ų029.1 Ų29.10%015%0.149CC..Hα-helixtrans-62-44178.8-63.5171.8000112.3F354 I362 L363 L366 I384 F385 S386 N392 M395 V396F354-L388 HydrophobicContact CD1-CD2 3.5Å; F354-L388 VanDerWaalsContact CD1-CD2 3.5Å; F354-L388 HydrophobicContact CE1-CD2 3.92Å; F354-L388 HydrophobicContact CG-CD2 4.5Å; I362-L388 HydrophobicContact CD1-CD1 4.29Å; I362-L388 HydrophobicContact CD1-CD2 4.4Å; I362-L388 HydrophobicContact CG1-CD1 4.28Å; I362-L388 HydrophobicContact CG2-CD1 4.08Å; I362-L388 HydrophobicContact CG2-CD2 4.22Å; L363-L388 HydrophobicContact CD2-CD1 3.8Å; L363-L388 HydrophobicContact CG-CD1 4.44Å; L366-L388 HydrophobicContact CD1-CD1 3.44Å; L366-L388 VanDerWaalsContact CD1-CD1 3.44Å; I384-L388 PolarHBondContact O-N 3.07Å; F385-L388 PolarHBondContact O-N 3.33Å; S386-L388 VanDerWaalsContact C-N 3.33Å; S386-L388 PolarHBondContact O-N 3.48Å; L388-N392 CarbonylContact O-C 3.11Å; L388-N392 PolarHBondContact O-N 3.04Å; L388-M395 HydrophobicContact CD2-CE 3.98Å; L388-V396 HydrophobicContact CB-CG2 4.14Å
389V94.3Very high92.8Very high1 Ų128.3 Ų28.31%0.00615%0.147CC..Hα-helixtrans-69.3-39.6179.7173.40000111.9F385 S386 Y387 P393 V396 L451 T454 L455F385-V389 HydrophobicContact CD1-CG2 3.99Å; F385-V389 HydrophobicContact CE1-CG2 3.59Å; F385-V389 HydrophobicContact CE2-CG2 4.17Å; F385-V389 HydrophobicContact CG-CG2 4.43Å; F385-V389 HydrophobicContact CZ-CG2 3.69Å; F385-V389 WeakPolarHBondContact O-CG2 3.41Å; F385-V389 PolarHBondContact O-N 3.26Å; S386-V389 PolarHBondContact O-N 3.22Å; Y387-V389 PolarHBondContact O-N 3.47Å; V389-P393 WeakPolarHBondContact O-CB 3.44Å; V389-P393 WeakPolarHBondContact O-CD 3.34Å; V389-V396 HydrophobicContact CG2-CG2 4.25Å; V389-L451 HydrophobicContact CB-CD2 4.25Å; V389-L451 HydrophobicContact CG1-CB 4.4Å; V389-L451 HydrophobicContact CG1-CD2 4.24Å; V389-T454 HydrophobicContact CG1-CG2 3.71Å; V389-L455 HydrophobicContact CG1-CD2 4.13Å; V389-L455 HydrophobicContact CG1-CG 3.98Å; V389-L455 HydrophobicContact CG2-CD1 4.14Å; V389-L455 HydrophobicContact CG2-CD2 4.15Å; V389-L455 HydrophobicContact CG2-CG 4.19Å
390E90.4Very high92.9Very high118 Ų11825.3 Ų25.355%0.55113%0.126SC*.Hα-helixtrans-65.3-40.1178.9-174.5178.917400111.8S386 Y387S386-E390 WeakPolarHBondContact O-CB 3.36Å; S386-E390 PolarHBondContact O-N 2.96Å; Y387-E390 PolarHBondContact O-N 3.33Å
391Y86.7Confident92.7Very high37 Ų3726.5 Ų26.515%0.14513%0.132CC..Hα-helixtrans-92-39.3-173.6-67-53.4000114.7Q343 R350 F354 Y387Q343-Y391 WeakPolarHBondContact CG-OH 3.23Å; R350-Y391 VanDerWaalsContact NE-CE1 3.28Å; R350-Y391 PolarHBondContact NH1-OH 3.23Å; F354-Y391 AromaticContact CD2-CD2 3.96Å; F354-Y391 HydrophobicContact CD2-CD2 3.96Å; F354-Y391 HydrophobicContact CD2-CG 4.12Å; F354-Y391 HydrophobicContact CE1-CD2 4.43Å; F354-Y391 AromaticContact CE2-CD2 3.09Å; F354-Y391 HydrophobicContact CE2-CD2 3.09Å; F354-Y391 AromaticContact CE2-CE2 3.73Å; F354-Y391 HydrophobicContact CE2-CE2 3.73Å; F354-Y391 AromaticContact CE2-CG 3.66Å; F354-Y391 HydrophobicContact CE2-CG 3.66Å; F354-Y391 AromaticContact CZ-CD2 3.39Å; F354-Y391 HydrophobicContact CZ-CD2 3.39Å; F354-Y391 AromaticContact CZ-CE2 3.88Å; F354-Y391 HydrophobicContact CZ-CE2 3.88Å; F354-Y391 HydrophobicContact CZ-CG 4.33Å; Y387-Y391 HydrophobicContact CD1-CE2 4.14Å; Y387-Y391 WeakPolarHBondContact O-CB 3.44Å; Y387-Y391 WeakPolarHBondContact O-CD2 3.06Å; Y387-Y391 PolarHBondContact O-N 3.38Å; Y387-Y391 VanDerWaalsContact O-N 3.08Å
392N87.5Confident92.5Very high41 Ų4130.6 Ų30.622%0.21915%0.151CC..  trans-145.172.2-178.2-165.4-12.7000111.6L388 S394 M395 V396L388-N392 CarbonylContact O-C 3.11Å; L388-N392 PolarHBondContact O-N 3.04Å; N392-S394 PolarHBondContact O-N 3.32Å; N392-M395 HydrophobicContact CB-CB 4.18Å; N392-M395 HydrophobicContact CB-CE 4.27Å; N392-M395 VanDerWaalsContact CG-CB 3.5Å; N392-M395 PolarHBondContact O-N 3.04Å; N392-M395 PolarHBondContact OD1-N 3.19Å; N392-M395 VanDerWaalsContact OD1-N 3.12Å; N392-V396 PolarHBondContact O-N 2.91Å
393P92.1Very high92.2Very high18 Ų1830.6 Ų30.612%0.11715%0.15CC..Hα-helixtrans-61.9-29.4179.925.1-33.1000112.2V389 M395 V396 R397 L455 N460V389-P393 WeakPolarHBondContact O-CB 3.44Å; V389-P393 WeakPolarHBondContact O-CD 3.34Å; P393-M395 PolarHBondContact O-N 3.18Å; P393-V396 PolarHBondContact O-N 3.3Å; P393-R397 WeakPolarHBondContact O-CG 3.32Å; P393-R397 PolarHBondContact O-N 3.09Å; P393-L455 HydrophobicContact CB-CD2 4.1Å; P393-N460 HydrophobicContact CG-CB 4.43Å
394S91Very high91.8Very high27 Ų2729.2 Ų29.219%0.18914%0.144CC..Hα-helixtrans-62.4-40.7176.8-60.10000112.8N392 V396 R397 E398 T464N392-S394 PolarHBondContact O-N 3.32Å; S394-V396 VanDerWaalsContact C-N 3.33Å; S394-V396 PolarHBondContact O-N 3.11Å; S394-R397 PolarHBondContact O-N 3.14Å; S394-R397 PolarHBondContact OG-NH2 3.44Å; S394-R397 VanDerWaalsContact OG-NH2 3.15Å; S394-E398 WeakPolarHBondContact O-CB 3.33Å; S394-E398 PolarHBondContact O-N 3.04Å; S394-T464 WeakPolarHBondContact OG-CG2 3.4Å
395M90.8Very high91.3Very high17 Ų1735.1 Ų35.18%0.08417%0.171CC..Hα-helixtrans-64.1-39.3176.4176-103.7-66.200111.7F354 S358 L363 L388 N392 P393 F399F354-M395 HydrophobicContact CB-CE 4.49Å; S358-M395 VanDerWaalsContact OG-CG 3.29Å; S358-M395 WeakPolarHBondContact OG-CG 3.42Å; S358-M395 PolarHBondContact OG-SD 3.4Å; L363-M395 HydrophobicContact CD1-SD 3.57Å; L363-M395 VanDerWaalsContact CD1-SD 3.57Å; L363-M395 HydrophobicContact CG-SD 4.33Å; L388-M395 HydrophobicContact CD2-CE 3.98Å; N392-M395 HydrophobicContact CB-CB 4.18Å; N392-M395 HydrophobicContact CB-CE 4.27Å; N392-M395 VanDerWaalsContact CG-CB 3.5Å; N392-M395 PolarHBondContact O-N 3.04Å; N392-M395 PolarHBondContact OD1-N 3.19Å; N392-M395 VanDerWaalsContact OD1-N 3.12Å; P393-M395 PolarHBondContact O-N 3.18Å; M395-F399 PolarHBondContact O-N 3.45Å; M395-F399 VanDerWaalsContact O-N 3.1Å
396V94.4Very high90.5Very high1 Ų141 Ų411%0.00620%0.199CC..Hα-helixtrans-64.5-43.7174.2-178.80000111L363 F385 L388 V389 N392 P393 S394 F399 V400 L455L363-V396 HydrophobicContact CD2-CG2 4.37Å; F385-V396 HydrophobicContact CE2-CG1 3.75Å; F385-V396 HydrophobicContact CZ-CG1 3.84Å; L388-V396 HydrophobicContact CB-CG2 4.14Å; V389-V396 HydrophobicContact CG2-CG2 4.25Å; N392-V396 PolarHBondContact O-N 2.91Å; P393-V396 PolarHBondContact O-N 3.3Å; S394-V396 VanDerWaalsContact C-N 3.33Å; S394-V396 PolarHBondContact O-N 3.11Å; V396-F399 PolarHBondContact O-N 3.06Å; V396-V400 WeakPolarHBondContact O-CG2 3.25Å; V396-V400 PolarHBondContact O-N 3.01Å; V396-V400 VanDerWaalsContact O-N 3.08Å; V396-L455 HydrophobicContact CB-CD2 3.98Å; V396-L455 HydrophobicContact CG1-CD1 4.22Å; V396-L455 HydrophobicContact CG1-CD2 3.91Å
397R94.2Very high89.5Confident0 Ų041.5 Ų41.50%020%0.199CC..Hα-helixtrans-62.2-44.3177.6-71.9-167.2-70.4-100.8-3.2112.5P393 S394 F399 V400 M401 L455 N460 E469 F473P393-R397 WeakPolarHBondContact O-CG 3.32Å; P393-R397 PolarHBondContact O-N 3.09Å; S394-R397 PolarHBondContact O-N 3.14Å; S394-R397 PolarHBondContact OG-NH2 3.44Å; S394-R397 VanDerWaalsContact OG-NH2 3.15Å; R397-F399 VanDerWaalsContact C-N 3.34Å; R397-F399 PolarHBondContact O-N 3.4Å; R397-V400 WeakPolarHBondContact O-CG2 3.46Å; R397-V400 PolarHBondContact O-N 3.33Å; R397-M401 WeakPolarHBondContact O-CB 3.47Å; R397-M401 WeakPolarHBondContact O-CG 3.29Å; R397-M401 PolarHBondContact O-N 3.1Å; R397-L455 HydrophobicContact CG-CD2 4.24Å; R397-L455 PolarHBondContact NH1-O 2.92Å; R397-N460 PolarHBondContact NH2-O 3.25Å; R397-E469 IonicContact CZ-OE1 2.64Å; R397-E469 VanDerWaalsContact CZ-OE1 3.26Å; R397-E469 IonicContact NE-OE1 2.83Å; R397-E469 PolarHBondContact NE-OE1 2.88Å; R397-E469 IonicContact NH2-OE1 2.82Å; R397-E469 PolarHBondContact NH2-OE1 3.27Å; R397-E469 IonicContact NH2-OE2 3.85Å; R397-F473 HydrophobicContact CB-CD2 3.75Å; R397-F473 HydrophobicContact CB-CE2 3.95Å; R397-F473 HydrophobicContact CB-CG 4.39Å; R397-F473 HydrophobicContact CG-CD1 4.33Å; R397-F473 HydrophobicContact CG-CD2 3.61Å; R397-F473 HydrophobicContact CG-CE1 4.19Å; R397-F473 HydrophobicContact CG-CE2 3.48Å; R397-F473 VanDerWaalsContact CG-CE2 3.48Å; R397-F473 HydrophobicContact CG-CG 4.04Å; R397-F473 HydrophobicContact CG-CZ 3.78Å
398E91.5Very high88.4Confident119 Ų11942.2 Ų42.256%0.55621%0.206SC*.Hα-helixtrans-59.3-46.1176.9-179173.5-168.900111.2S394 M401 Q402S394-E398 WeakPolarHBondContact O-CB 3.33Å; S394-E398 PolarHBondContact O-N 3.04Å; E398-M401 PolarHBondContact O-N 2.88Å; E398-Q402 VanDerWaalsContact O-CG 3.3Å; E398-Q402 WeakPolarHBondContact O-CG 3.5Å; E398-Q402 PolarHBondContact O-N 3.09Å; E398-Q402 PolarHBondContact OE1-NE2 3Å
399F92.7Very high86.9Confident38 Ų3846.5 Ų46.517%0.16723%0.229CC..Hα-helixtrans-59.6-53.1177.7175.1-98.2000112.8L363 P364 M395 V396 R397 M401 Q402 E403 L426L363-F399 HydrophobicContact CB-CD1 3.71Å; L363-F399 HydrophobicContact CB-CD2 3.9Å; L363-F399 HydrophobicContact CB-CE1 3.78Å; L363-F399 HydrophobicContact CB-CE2 3.98Å; L363-F399 HydrophobicContact CB-CG 3.77Å; L363-F399 HydrophobicContact CB-CZ 3.91Å; L363-F399 HydrophobicContact CD1-CB 3.37Å; L363-F399 HydrophobicContact CD1-CD1 3.84Å; L363-F399 HydrophobicContact CD1-CD2 4.12Å; L363-F399 HydrophobicContact CD1-CG 3.48Å; L363-F399 VanDerWaalsContact CD1-CG 3.48Å; L363-F399 HydrophobicContact CG-CD1 4.28Å; L363-F399 HydrophobicContact CG-CG 4.25Å; P364-F399 VanDerWaalsContact CD-CE2 3.48Å; P364-F399 HydrophobicContact CG-CE2 3.66Å; P364-F399 HydrophobicContact CG-CZ 3.97Å; M395-F399 PolarHBondContact O-N 3.45Å; M395-F399 VanDerWaalsContact O-N 3.1Å; V396-F399 PolarHBondContact O-N 3.06Å; R397-F399 VanDerWaalsContact C-N 3.34Å; R397-F399 PolarHBondContact O-N 3.4Å; F399-M401 PolarHBondContact O-N 3.48Å; F399-Q402 PolarHBondContact O-N 3.45Å; F399-Q402 VanDerWaalsContact O-N 3.12Å; F399-E403 WeakPolarHBondContact O-CB 3.42Å; F399-E403 PolarHBondContact O-N 3.29Å; F399-L426 HydrophobicContact CD1-CD2 3.98Å; F399-L426 HydrophobicContact CE1-CB 4.28Å; F399-L426 HydrophobicContact CE1-CD2 3.78Å
400V92.9Very high85.1Confident3 Ų349.6 Ų49.62%0.01825%0.247CC..Hα-helixtrans-66.5-27.4-177.1-59.20000112.5V396 R397 A404 L426 F473 F476V396-V400 WeakPolarHBondContact O-CG2 3.25Å; V396-V400 PolarHBondContact O-N 3.01Å; V396-V400 VanDerWaalsContact O-N 3.08Å; R397-V400 WeakPolarHBondContact O-CG2 3.46Å; R397-V400 PolarHBondContact O-N 3.33Å; V400-A404 WeakPolarHBondContact O-CB 3.21Å; V400-A404 PolarHBondContact O-N 3.27Å; V400-A404 VanDerWaalsContact O-N 3.14Å; V400-L426 HydrophobicContact CG1-CB 4.24Å; V400-L426 HydrophobicContact CG1-CD2 4.38Å; V400-F473 HydrophobicContact CG2-CE2 3.85Å; V400-F476 HydrophobicContact CB-CE1 4.23Å; V400-F476 HydrophobicContact CB-CZ 4.22Å; V400-F476 HydrophobicContact CG2-CD1 4.47Å; V400-F476 HydrophobicContact CG2-CE1 3.73Å; V400-F476 HydrophobicContact CG2-CZ 4.21Å
401M91.5Very high83.4Confident27 Ų2747.7 Ų47.713%0.13325%0.248CC..Hα-helixtrans-72.7-40.2173.1-73.5173.557.400112.1R397 E398 F399 A404 Q405 E472 F473 F476R397-M401 WeakPolarHBondContact O-CB 3.47Å; R397-M401 WeakPolarHBondContact O-CG 3.29Å; R397-M401 PolarHBondContact O-N 3.1Å; E398-M401 PolarHBondContact O-N 2.88Å; F399-M401 PolarHBondContact O-N 3.48Å; M401-A404 PolarHBondContact O-N 3.25Å; M401-Q405 WeakPolarHBondContact O-CG 3.21Å; M401-Q405 PolarHBondContact O-N 3.27Å; M401-Q405 VanDerWaalsContact O-N 3.1Å; M401-E472 HydrophobicContact CE-CB 3.55Å; M401-F473 HydrophobicContact CG-CD2 4.11Å; M401-F473 HydrophobicContact SD-CB 3.89Å; M401-F473 HydrophobicContact SD-CD2 3.93Å; M401-F473 HydrophobicContact SD-CG 4.43Å; M401-F476 HydrophobicContact CG-CB 4.34Å; M401-F476 HydrophobicContact CG-CD1 4.27Å; M401-F476 HydrophobicContact CG-CG 4.23Å
402Q89.7Confident82Confident86 Ų8653.8 Ų53.840%0.40228%0.275SS..Hα-helixtrans-66.1-43175.1-72.6176.812.300111.6E398 F399 A404 Q405 Q406E398-Q402 VanDerWaalsContact O-CG 3.3Å; E398-Q402 WeakPolarHBondContact O-CG 3.5Å; E398-Q402 PolarHBondContact O-N 3.09Å; E398-Q402 PolarHBondContact OE1-NE2 3Å; F399-Q402 PolarHBondContact O-N 3.45Å; F399-Q402 VanDerWaalsContact O-N 3.12Å; Q402-A404 VanDerWaalsContact C-N 3.31Å; Q402-A404 PolarHBondContact O-N 2.81Å; Q402-Q405 PolarHBondContact O-N 2.81Å; Q402-Q406 WeakPolarHBondContact O-CG 3.43Å; Q402-Q406 PolarHBondContact O-N 3.48Å
403E87.9Confident80.4Confident12 Ų1259.9 Ų59.96%0.05630%0.299CS..Hα-helixtrans-54.4-47.4173.3-174.9-167.1-164.600110.9E367 F399 Q405 Q406 N407 L425 L426E367-E403 VanDerWaalsContact CD-OE1 3.31Å; F399-E403 WeakPolarHBondContact O-CB 3.42Å; F399-E403 PolarHBondContact O-N 3.29Å; E403-Q405 PolarHBondContact O-N 3.15Å; E403-Q406 PolarHBondContact O-N 3.48Å; E403-N407 PolarHBondContact O-N 2.93Å; E403-L425 HydrophobicContact CB-CD2 4.47Å; E403-L425 HydrophobicContact CG-CD2 3.96Å; E403-L425 WeakPolarHBondContact OE1-CA 3.48Å; E403-L426 PolarHBondContact OE1-N 2.84Å; E403-L426 VanDerWaalsContact OE1-N 3.07Å; E403-L426 PolarHBondContact OE2-N 2.9Å; E403-L426 VanDerWaalsContact OE2-N 3.14Å
404A86.1Confident78.3Confident6 Ų664 Ų645%0.0532%0.32CS..Hα-helixtrans-64.9-38.8178.700000113.9V400 M401 Q402 Q406 N407 D408 L425 F476V400-A404 WeakPolarHBondContact O-CB 3.21Å; V400-A404 PolarHBondContact O-N 3.27Å; V400-A404 VanDerWaalsContact O-N 3.14Å; M401-A404 PolarHBondContact O-N 3.25Å; Q402-A404 VanDerWaalsContact C-N 3.31Å; Q402-A404 PolarHBondContact O-N 2.81Å; A404-Q406 VanDerWaalsContact C-N 3.34Å; A404-N407 PolarHBondContact O-N 3.02Å; A404-D408 PolarHBondContact O-N 3.08Å; A404-L425 HydrophobicContact CB-CD2 3.93Å; A404-F476 HydrophobicContact CB-CD2 3.66Å; A404-F476 HydrophobicContact CB-CE2 3.35Å; A404-F476 HydrophobicContact CB-CZ 4.39Å
405Q84.8Confident76.1Confident124 Ų12468.8 Ų68.858%0.57935%0.348SS*.Hα-helixtrans-64.1-40.9175.4-72.7174.54.700111.4M401 Q402 E403 D408 D409M401-Q405 WeakPolarHBondContact O-CG 3.21Å; M401-Q405 PolarHBondContact O-N 3.27Å; M401-Q405 VanDerWaalsContact O-N 3.1Å; Q402-Q405 PolarHBondContact O-N 2.81Å; E403-Q405 PolarHBondContact O-N 3.15Å; Q405-D408 PolarHBondContact O-N 3.42Å; Q405-D409 PolarHBondContact O-N 2.98Å; Q405-D409 VanDerWaalsContact O-N 3.09Å
406Q80.4Confident74.1Confident124 Ų12476.7 Ų76.758%0.57939%0.385SS*.Hα-helixtrans-62.8-43.1174.8-67.7175.63000111.1Q402 E403 A404 D409 V410Q402-Q406 WeakPolarHBondContact O-CG 3.43Å; Q402-Q406 PolarHBondContact O-N 3.48Å; E403-Q406 PolarHBondContact O-N 3.48Å; A404-Q406 VanDerWaalsContact C-N 3.34Å; Q406-D409 PolarHBondContact O-N 3.36Å; Q406-V410 VanDerWaalsContact O-CG2 3.24Å; Q406-V410 WeakPolarHBondContact O-CG2 3.44Å; Q406-V410 PolarHBondContact O-N 3.19Å
407N72.9Confident71.4Confident33 Ų3384.5 Ų84.518%0.17642%0.421CS..Hα-helixtrans-67.9-38179.5-70-4.6000113E403 A404 V410 S411E403-N407 PolarHBondContact O-N 2.93Å; A404-N407 PolarHBondContact O-N 3.02Å; N407-V410 PolarHBondContact O-N 3.2Å; N407-S411 VanDerWaalsContact O-CB 3.28Å; N407-S411 WeakPolarHBondContact O-CB 3.49Å; N407-S411 PolarHBondContact O-N 3.44Å; N407-S411 PolarHBondContact O-OG 3.36Å
408D71.7Confident68.8Low55 Ų5592.3 Ų92.329%0.29446%0.455SS..Hα-helixtrans-65.3-38.9174.4-87.4-0.4000111.2A404 Q405 K412 K479 H480A404-D408 PolarHBondContact O-N 3.08Å; Q405-D408 PolarHBondContact O-N 3.42Å; D408-K412 WeakPolarHBondContact O-CG 3.39Å; D408-K412 PolarHBondContact O-N 3.45Å; D408-K412 VanDerWaalsContact O-N 3.13Å; D408-K479 IonicContact OD2-NZ 3.47Å; D408-K479 PolarHBondContact OD2-NZ 3.05Å; D408-H480 IonicContact OD1-CE1 2.79Å; D408-H480 IonicContact OD2-CE1 3.87Å; D408-H480 IonicContact OD2-NE2 2.69Å
409D62.1Low66.2Low90 Ų9094.3 Ų94.348%0.48147%0.468SS..Hα-helixtrans-70.1-35.2177.3-85.7-10000113.2Q405 Q406 K413Q405-D409 PolarHBondContact O-N 2.98Å; Q405-D409 VanDerWaalsContact O-N 3.09Å; Q406-D409 PolarHBondContact O-N 3.36Å; D409-K413 WeakPolarHBondContact O-CG 3.34Å
410V56.6Low63.6Low65 Ų6596.5 Ų96.539%0.39448%0.484SS..Hα-helixtrans-73.8-42.4176174.20000110.7Q406 N407 K412 K413 L414Q406-V410 VanDerWaalsContact O-CG2 3.24Å; Q406-V410 WeakPolarHBondContact O-CG2 3.44Å; Q406-V410 PolarHBondContact O-N 3.19Å; N407-V410 PolarHBondContact O-N 3.2Å; V410-K412 VanDerWaalsContact C-N 3.28Å; V410-K412 PolarHBondContact O-N 3.2Å; V410-K413 WeakPolarHBondContact O-CA 3.48Å; V410-K413 PolarHBondContact O-N 2.86Å; V410-L414 HydrophobicContact CG1-CD1 3.69Å; V410-L414 PolarHBondContact O-N 3.44Å
411S55.1Low61.3Low79 Ų79101.4 Ų101.455%0.55252%0.519SS*.Hα-helixtrans-60.3-35.7175.5-67.90000112.6N407 K413N407-S411 VanDerWaalsContact O-CB 3.28Å; N407-S411 WeakPolarHBondContact O-CB 3.49Å; N407-S411 PolarHBondContact O-N 3.44Å; N407-S411 PolarHBondContact O-OG 3.36Å; S411-K413 VanDerWaalsContact C-N 3.27Å; S411-K413 PolarHBondContact O-N 3.46Å
412K55.5Low59.2Low164 Ų164107.5 Ų107.571%0.71355%0.545SS*.Hα-helixtrans-67.6-23.6172.6-75.2174.4-176.8173.70113.5D408 V410D408-K412 WeakPolarHBondContact O-CG 3.39Å; D408-K412 PolarHBondContact O-N 3.45Å; D408-K412 VanDerWaalsContact O-N 3.13Å; V410-K412 VanDerWaalsContact C-N 3.28Å; V410-K412 PolarHBondContact O-N 3.2Å
413K55.2Low57.8Low169 Ų169107 Ų10774%0.73555%0.545SS*.Hα-helixtrans-94.2-26.4-178.2-73173.2-175.8165.20114D409 V410 S411D409-K413 WeakPolarHBondContact O-CG 3.34Å; V410-K413 WeakPolarHBondContact O-CA 3.48Å; V410-K413 PolarHBondContact O-N 2.86Å; S411-K413 VanDerWaalsContact C-N 3.27Å; S411-K413 PolarHBondContact O-N 3.46Å
414L47.2Very low57.3Low105 Ų105109 Ų10955%0.5556%0.555SS.*  trans-113.574.7-173.3-79.9156.2000111.6V410 E416V410-L414 HydrophobicContact CG1-CD1 3.69Å; V410-L414 PolarHBondContact O-N 3.44Å; L414-E416 VanDerWaalsContact C-N 3.29Å; L414-E416 PolarHBondContact O-N 3.43Å
415T45.7Very low57.5Low128 Ų128109.1 Ų109.179%0.78556%0.555SS**SBendtrans-75.6-3179.1-17.70000114.9
416E47.9Very low57.9Low183 Ų183103.2 Ų103.286%0.85553%0.528SS*.SBendtrans-144.86.8-171.4-70.1-170.4165.700118.5L414L414-E416 VanDerWaalsContact C-N 3.29Å; L414-E416 PolarHBondContact O-N 3.43Å
417Q38.2Very low58.6Low164 Ų16497.5 Ų97.577%0.76650%0.501SS*.SBendtrans-134.496.2-176.9-71.6-174.9-2.800114.3
418K39.3Very low59.6Low165 Ų16596.7 Ų96.772%0.71750%0.497SS*.  trans52.186.1145.4-152.2-178.6-172.5-1700115.3T420K418-T420 PolarHBondContact O-N 2.92Å
419I37.6Very low60.7Low161 Ų16194.8 Ų94.883%0.82649%0.487SS*.  trans-47.1102.3164.1-56.8167.5000108.4
420T37.2Very low62.2Low83 Ų8390.5 Ų90.551%0.50946%0.464SS..  trans-92144.3165.743.50000106.9K418 K422K418-T420 PolarHBondContact O-N 2.92Å; T420-K422 PolarHBondContact O-N 3Å
421S45.8Very low64.1Low107 Ų10787.4 Ų87.475%0.74845%0.445SS*.G310 helixtrans-539.2-178.138.90000117.3
422K46.8Very low65.9Low154 Ų15487.5 Ų87.567%0.6744%0.436SS*.G310 helixtrans-82.8-0.4175.6-98.4-177.9173.9175.20114.7T420T420-K422 PolarHBondContact O-N 3Å
423D59.1Low67.7Low76 Ų7680.7 Ų80.741%0.40641%0.407SS..G310 helixtrans-102.210.2-179.1-56.8-36.3000113.2L425D423-L425 PolarHBondContact O-N 3.17Å
424I79Confident69.6Low53 Ų5372.6 Ų72.627%0.27237%0.372SS..  trans-83.4108.5-178.8-52.7176.7000108.5L426 N428 L429I424-L426 PolarHBondContact O-N 3.28Å; I424-N428 HydrophobicContact CG2-CB 4Å; I424-L429 HydrophobicContact CB-CD2 4.14Å; I424-L429 HydrophobicContact CB-CG 4.3Å; I424-L429 HydrophobicContact CD1-CD2 4.39Å; I424-L429 HydrophobicContact CG2-CD2 3.73Å; I424-L429 HydrophobicContact CG2-CG 3.78Å
425L90.5Very high71.8Confident10 Ų1069.8 Ų69.85%0.05236%0.357CS..  trans-48.1138.4175.3-61.5169.7000111.5E403 A404 D423 I427 N428 L429 F476 H480E403-L425 HydrophobicContact CB-CD2 4.47Å; E403-L425 HydrophobicContact CG-CD2 3.96Å; E403-L425 WeakPolarHBondContact OE1-CA 3.48Å; A404-L425 HydrophobicContact CB-CD2 3.93Å; D423-L425 PolarHBondContact O-N 3.17Å; L425-I427 HydrophobicContact CB-CG2 4.39Å; L425-I427 PolarHBondContact O-N 3.2Å; L425-I427 VanDerWaalsContact O-N 3.11Å; L425-N428 HydrophobicContact CB-CB 4.3Å; L425-N428 WeakPolarHBondContact O-CA 3.29Å; L425-N428 WeakPolarHBondContact O-CB 3.25Å; L425-N428 PolarHBondContact O-N 2.9Å; L425-L429 PolarHBondContact O-N 3.24Å; L425-F476 HydrophobicContact CD1-CE2 3.78Å; L425-F476 HydrophobicContact CD1-CZ 3.99Å; L425-H480 HydrophobicContact CD1-CB 3.68Å
426L93.2Very high74Confident0 Ų067.7 Ų67.70%035%0.347CS..Hα-helixtrans-49.5-43.6178.7174.161.6000112.6L363 E367 L370 F385 F399 V400 E403 I424 N428 L429 I430L363-L426 HydrophobicContact CD2-CD2 3.97Å; E367-L426 HydrophobicContact CB-CD1 4.16Å; E367-L426 HydrophobicContact CG-CB 4.37Å; L370-L426 HydrophobicContact CD1-CD1 3.72Å; F385-L426 HydrophobicContact CE2-CD2 4.02Å; F399-L426 HydrophobicContact CD1-CD2 3.98Å; F399-L426 HydrophobicContact CE1-CB 4.28Å; F399-L426 HydrophobicContact CE1-CD2 3.78Å; V400-L426 HydrophobicContact CG1-CB 4.24Å; V400-L426 HydrophobicContact CG1-CD2 4.38Å; E403-L426 PolarHBondContact OE1-N 2.84Å; E403-L426 VanDerWaalsContact OE1-N 3.07Å; E403-L426 PolarHBondContact OE2-N 2.9Å; E403-L426 VanDerWaalsContact OE2-N 3.14Å; I424-L426 PolarHBondContact O-N 3.28Å; L426-N428 VanDerWaalsContact C-N 3.28Å; L426-N428 PolarHBondContact O-N 3.44Å; L426-L429 WeakPolarHBondContact O-CB 3.41Å; L426-L429 PolarHBondContact O-N 2.75Å; L426-I430 WeakPolarHBondContact O-CG1 3.21Å; L426-I430 PolarHBondContact O-N 3.22Å
427I94.5Very high76.1Confident3 Ų360.2 Ų60.22%0.01531%0.312CS..Hα-helixtrans-66.7-29.9179.3-156.7170.6000112.8L425 I430 I431 L452 F473 F476 F477 C481L425-I427 HydrophobicContact CB-CG2 4.39Å; L425-I427 PolarHBondContact O-N 3.2Å; L425-I427 VanDerWaalsContact O-N 3.11Å; I427-I430 PolarHBondContact O-N 3.2Å; I427-I431 VanDerWaalsContact O-CG1 3.27Å; I427-I431 WeakPolarHBondContact O-CG1 3.3Å; I427-I431 PolarHBondContact O-N 3.4Å; I427-L452 HydrophobicContact CD1-CD2 4.31Å; I427-L452 HydrophobicContact CG1-CD2 3.8Å; I427-F473 HydrophobicContact CD1-CZ 4.18Å; I427-F476 HydrophobicContact CG2-CE1 4.24Å; I427-F476 HydrophobicContact CG2-CZ 4.07Å; I427-F477 HydrophobicContact CD1-CD2 3.84Å; I427-F477 HydrophobicContact CD1-CE2 3.86Å; I427-C481 HydrophobicContact CG2-CB 4.21Å; I427-C481 WeakPolarHBondContact CG2-SG 3.34Å
428N94.2Very high78.4Confident17 Ų1757.9 Ų57.99%0.09131%0.31CS..Hα-helixtrans-74.1-35174.7-76.3-16000111I424 L425 L426 I430 I431 E432 H480 C481I424-N428 HydrophobicContact CG2-CB 4Å; L425-N428 HydrophobicContact CB-CB 4.3Å; L425-N428 WeakPolarHBondContact O-CA 3.29Å; L425-N428 WeakPolarHBondContact O-CB 3.25Å; L425-N428 PolarHBondContact O-N 2.9Å; L426-N428 VanDerWaalsContact C-N 3.28Å; L426-N428 PolarHBondContact O-N 3.44Å; N428-I430 VanDerWaalsContact C-N 3.32Å; N428-I430 PolarHBondContact O-N 3.1Å; N428-I431 PolarHBondContact O-N 2.65Å; N428-E432 WeakPolarHBondContact O-CB 3.05Å; N428-E432 WeakPolarHBondContact O-CG 3.28Å; N428-E432 PolarHBondContact O-N 3.07Å; N428-H480 PolarHBondContact ND2-O 3.33Å; N428-H480 VanDerWaalsContact ND2-O 3.12Å; N428-C481 WeakPolarHBondContact OD1-CA 3.22Å
429L93.3Very high80.8Confident15 Ų1553.1 Ų53.18%0.07929%0.292CS..Hα-helixtrans-58.8-44.9169.1-68.4171.3000111E367 I424 L425 L426 I431 E432 H433E367-L429 HydrophobicContact CG-CD1 3.96Å; E367-L429 WeakPolarHBondContact O-CD1 3.3Å; I424-L429 HydrophobicContact CB-CD2 4.14Å; I424-L429 HydrophobicContact CB-CG 4.3Å; I424-L429 HydrophobicContact CD1-CD2 4.39Å; I424-L429 HydrophobicContact CG2-CD2 3.73Å; I424-L429 HydrophobicContact CG2-CG 3.78Å; L425-L429 PolarHBondContact O-N 3.24Å; L426-L429 WeakPolarHBondContact O-CB 3.41Å; L426-L429 PolarHBondContact O-N 2.75Å; L429-I431 VanDerWaalsContact C-N 3.35Å; L429-I431 PolarHBondContact O-N 2.61Å; L429-E432 PolarHBondContact O-N 3.36Å; L429-H433 WeakPolarHBondContact O-CB 3.42Å; L429-H433 PolarHBondContact O-CD2 2.84Å; L429-H433 VanDerWaalsContact O-CG 3.32Å; L429-H433 PolarHBondContact O-N 2.63Å
430I95.2Very high83.1Confident0 Ų050 Ų500%028%0.283CS..Hα-helixtrans-59.3-44.2175.5-65.7-62.9000111.6L370 F385 L426 I427 N428 M434 L448 L452L370-I430 HydrophobicContact CD1-CD1 3.68Å; F385-I430 HydrophobicContact CD1-CD1 3.69Å; F385-I430 HydrophobicContact CD1-CG1 4.23Å; F385-I430 HydrophobicContact CE1-CD1 3.83Å; F385-I430 HydrophobicContact CE1-CG1 3.82Å; F385-I430 HydrophobicContact CE1-CG2 4.49Å; F385-I430 HydrophobicContact CG-CD1 4.24Å; F385-I430 HydrophobicContact CZ-CD1 4.46Å; F385-I430 HydrophobicContact CZ-CG1 4.17Å; L426-I430 WeakPolarHBondContact O-CG1 3.21Å; L426-I430 PolarHBondContact O-N 3.22Å; I427-I430 PolarHBondContact O-N 3.2Å; N428-I430 VanDerWaalsContact C-N 3.32Å; N428-I430 PolarHBondContact O-N 3.1Å; I430-M434 PolarHBondContact O-N 3.43Å; I430-L448 HydrophobicContact CD1-CD2 3.99Å; I430-L448 HydrophobicContact CG2-CB 4.46Å; I430-L448 HydrophobicContact CG2-CD2 3.98Å; I430-L452 HydrophobicContact CG2-CD1 4.3Å; I430-L452 HydrophobicContact CG2-CD2 3.84Å; I430-L452 HydrophobicContact CG2-CG 3.91Å
431I95.7Very high85.6Confident0 Ų053.7 Ų53.70%029%0.294CS..Hα-helixtrans-65.1-42.9176.4-67.4163.3000111.1I427 N428 L429 M434 I435 L452 C481 V484 L485I427-I431 VanDerWaalsContact O-CG1 3.27Å; I427-I431 WeakPolarHBondContact O-CG1 3.3Å; I427-I431 PolarHBondContact O-N 3.4Å; N428-I431 PolarHBondContact O-N 2.65Å; L429-I431 VanDerWaalsContact C-N 3.35Å; L429-I431 PolarHBondContact O-N 2.61Å; I431-M434 WeakPolarHBondContact O-CB 3.37Å; I431-M434 PolarHBondContact O-N 3.14Å; I431-I435 HydrophobicContact CG2-CD1 3.73Å; I431-I435 HydrophobicContact CG2-CG1 4.46Å; I431-I435 VanDerWaalsContact O-CG1 3.25Å; I431-I435 WeakPolarHBondContact O-CG1 3.3Å; I431-I435 PolarHBondContact O-N 2.93Å; I431-L452 HydrophobicContact CG1-CD1 3.71Å; I431-L452 HydrophobicContact CG1-CD2 3.98Å; I431-C481 HydrophobicContact CD1-CB 4.01Å; I431-V484 HydrophobicContact CB-CG1 4.33Å; I431-V484 HydrophobicContact CG2-CB 4.23Å; I431-V484 HydrophobicContact CG2-CG1 3.74Å; I431-L485 HydrophobicContact CD1-CB 4.4Å; I431-L485 HydrophobicContact CG2-CB 4.26Å
432E93.1Very high87.7Confident80 Ų8048.9 Ų48.937%0.37426%0.26SS..Hα-helixtrans-63.5-42.5178.3-76.3-178.3178.900111.4N428 L429 M434 I435 C436 V484N428-E432 WeakPolarHBondContact O-CB 3.05Å; N428-E432 WeakPolarHBondContact O-CG 3.28Å; N428-E432 PolarHBondContact O-N 3.07Å; L429-E432 PolarHBondContact O-N 3.36Å; E432-M434 VanDerWaalsContact C-N 3.33Å; E432-M434 PolarHBondContact O-N 2.83Å; E432-I435 CarbonylContact O-C 3.51Å; E432-I435 PolarHBondContact O-N 3.36Å; E432-I435 VanDerWaalsContact O-N 3.09Å; E432-C436 VanDerWaalsContact O-CB 3.29Å; E432-C436 WeakPolarHBondContact O-CB 3.44Å; E432-C436 PolarHBondContact O-N 3.02Å; E432-V484 HydrophobicContact CG-CG1 4.28Å
433H92.7Very high89.8Confident21 Ų2143.6 Ų43.610%0.09725%0.249CC..Hα-helixtrans-63.2-38.4174.6-70.2-43.9000112.6L370 R378 L429 I435 C436 D437 L448L370-H433 PolarHBondContact O-CE1 2.9Å; L370-H433 PolarHBondContact O-NE2 3.33Å; R378-H433 VanDerWaalsContact CD-CE1 3.43Å; R378-H433 WeakPolarHBondContact CD-CE1 3.35Å; R378-H433 WeakPolarHBondContact CD-ND1 3.22Å; R378-H433 PolarHBondContact NE-CE1 2.69Å; R378-H433 VanDerWaalsContact NE-CE1 3.33Å; R378-H433 PolarHBondContact NH1-CE1 2.97Å; R378-H433 PolarHBondContact NH1-ND1 2.97Å; L429-H433 WeakPolarHBondContact O-CB 3.42Å; L429-H433 PolarHBondContact O-CD2 2.84Å; L429-H433 VanDerWaalsContact O-CG 3.32Å; L429-H433 PolarHBondContact O-N 2.63Å; H433-I435 VanDerWaalsContact C-N 3.29Å; H433-I435 PolarHBondContact O-N 3.38Å; H433-C436 PolarHBondContact O-N 3.06Å; H433-D437 PolarHBondContact O-N 2.81Å; H433-D437 VanDerWaalsContact O-N 3.09Å; H433-L448 HydrophobicContact CB-CD1 3.81Å
434M94.9Very high91.4Very high0 Ų041.2 Ų41.20%024%0.242CC..Hα-helixtrans-62.5-37.4172.5-176.5-161.969.700111.6I430 I431 E432 A445 L448 M449 L452 L485 V512I430-M434 PolarHBondContact O-N 3.43Å; I431-M434 WeakPolarHBondContact O-CB 3.37Å; I431-M434 PolarHBondContact O-N 3.14Å; E432-M434 VanDerWaalsContact C-N 3.33Å; E432-M434 PolarHBondContact O-N 2.83Å; M434-A445 HydrophobicContact CB-CB 4.47Å; M434-A445 HydrophobicContact CG-CB 3.77Å; M434-A445 VanDerWaalsContact O-CB 3.29Å; M434-A445 WeakPolarHBondContact O-CB 3.27Å; M434-L448 HydrophobicContact CB-CB 4.04Å; M434-L448 HydrophobicContact CB-CD1 4.12Å; M434-L448 HydrophobicContact CG-CB 4.39Å; M434-M449 HydrophobicContact SD-CB 3.9Å; M434-M449 HydrophobicContact SD-SD 4.33Å; M434-L452 HydrophobicContact SD-CD1 4.02Å; M434-L485 HydrophobicContact CE-CD1 3.68Å; M434-V512 HydrophobicContact CE-CG2 4.33Å
435I94.7Very high92.1Very high45 Ų4538.7 Ų38.723%0.23123%0.229CC..Hα-helixtrans-75.9-35.9-179.9-69.4167.5000111.8I431 E432 H433 P488 L508I431-I435 HydrophobicContact CG2-CD1 3.73Å; I431-I435 HydrophobicContact CG2-CG1 4.46Å; I431-I435 VanDerWaalsContact O-CG1 3.25Å; I431-I435 WeakPolarHBondContact O-CG1 3.3Å; I431-I435 PolarHBondContact O-N 2.93Å; E432-I435 CarbonylContact O-C 3.51Å; E432-I435 PolarHBondContact O-N 3.36Å; E432-I435 VanDerWaalsContact O-N 3.09Å; H433-I435 VanDerWaalsContact C-N 3.29Å; H433-I435 PolarHBondContact O-N 3.38Å; I435-P488 HydrophobicContact CD1-CG 4.04Å; I435-P488 HydrophobicContact CG1-CG 4.16Å; I435-L508 HydrophobicContact CG1-CD1 4.45Å; I435-L508 HydrophobicContact CG2-CD2 4.23Å
436C91.4Very high92.4Very high85 Ų8542 Ų4257%0.57425%0.25SC*.SBendtrans-96.311.6-174.9-710000113.7E432 H433 T438E432-C436 VanDerWaalsContact O-CB 3.29Å; E432-C436 WeakPolarHBondContact O-CB 3.44Å; E432-C436 PolarHBondContact O-N 3.02Å; H433-C436 PolarHBondContact O-N 3.06Å; C436-T438 PolarHBondContact O-N 3.05Å
437D91.2Very high92.5Very high25 Ų2545.3 Ų45.313%0.13427%0.265CS..  trans-57.5123.6178.3-172.2-3.5000111.1H433 D439 L442 G444 A445 Q504H433-D437 PolarHBondContact O-N 2.81Å; H433-D437 VanDerWaalsContact O-N 3.09Å; D437-D439 VanDerWaalsContact OD1-CB 3.3Å; D437-D439 WeakPolarHBondContact OD1-CB 3.13Å; D437-D439 PolarHBondContact OD1-N 3.36Å; D437-L442 HydrophobicContact CB-CD2 3.9Å; D437-G444 WeakPolarHBondContact OD2-CA 3.39Å; D437-G444 PolarHBondContact OD2-N 2.96Å; D437-G444 VanDerWaalsContact OD2-N 3.11Å; D437-A445 HydrophobicContact CB-CB 3.89Å; D437-A445 PolarHBondContact OD2-N 3.27Å; D437-Q504 PolarHBondContact O-NE2 3.35Å; D437-Q504 VanDerWaalsContact O-NE2 3.17Å
438T86.9Confident92.6Very high115 Ų11545.5 Ų45.571%0.70627%0.266SS*.  trans-84.3-14.3-178.455.20000113C436C436-T438 PolarHBondContact O-N 3.05Å
439D89.2Confident92.7Very high66 Ų6645.2 Ų45.235%0.35326%0.264SS..  trans-66.4128.9-179.4-174.9-95.3000111.4D437 E441 L442 G443D437-D439 VanDerWaalsContact OD1-CB 3.3Å; D437-D439 WeakPolarHBondContact OD1-CB 3.13Å; D437-D439 PolarHBondContact OD1-N 3.36Å; D439-E441 PolarHBondContact O-N 3.22Å; D439-E441 VanDerWaalsContact OD1-CA 3.27Å; D439-E441 WeakPolarHBondContact OD1-CA 3.31Å; D439-E441 WeakPolarHBondContact OD1-CB 3.41Å; D439-E441 PolarHBondContact OD1-N 2.88Å; D439-L442 PolarHBondContact O-N 3.18Å; D439-L442 PolarHBondContact OD1-N 3.33Å; D439-G443 PolarHBondContact OD1-N 3.39Å
440P87.2Confident92.9Very high96 Ų9646 Ų4662%0.62328%0.277SS*.THydrogen-bonded Turntrans-62-25.4179.9-24.834.7000114.8
441E88.7Confident92.9Very high160 Ų16046.6 Ų46.675%0.74828%0.28SS*.THydrogen-bonded Turntrans-93.2-4.6176.7-58.6-168.5164.300112.4D439 G443D439-E441 PolarHBondContact O-N 3.22Å; D439-E441 VanDerWaalsContact OD1-CA 3.27Å; D439-E441 WeakPolarHBondContact OD1-CA 3.31Å; D439-E441 WeakPolarHBondContact OD1-CB 3.41Å; D439-E441 PolarHBondContact OD1-N 2.88Å; E441-G443 PolarHBondContact O-N 3.31Å
442L91.3Very high93Very high6 Ų646.6 Ų46.63%0.03128%0.28CS..  trans57.335.1-175.5-67.9-175.8000112.6D437 D439 G444 A445 V446 Q504 Q507 L508 L511D437-L442 HydrophobicContact CB-CD2 3.9Å; D439-L442 PolarHBondContact O-N 3.18Å; D439-L442 PolarHBondContact OD1-N 3.33Å; L442-G444 VanDerWaalsContact C-N 3.33Å; L442-G444 PolarHBondContact O-N 3.2Å; L442-A445 HydrophobicContact CB-CB 4.08Å; L442-A445 HydrophobicContact CD2-CB 4.33Å; L442-A445 PolarHBondContact O-N 3.15Å; L442-V446 VanDerWaalsContact O-CG2 3.31Å; L442-V446 WeakPolarHBondContact O-CG2 3.47Å; L442-V446 PolarHBondContact O-N 3.44Å; L442-Q504 HydrophobicContact CD2-CG 4.16Å; L442-Q504 HydrophobicContact CG-CG 4.44Å; L442-Q507 HydrophobicContact CD1-CB 3.57Å; L442-L508 HydrophobicContact CD1-CB 4.04Å; L442-L511 HydrophobicContact CD1-CD1 4.36Å
443G90.7Very high93.2Very high42 Ų4247.9 Ų47.943%0.43328%0.281SS..Hα-helixtrans-56.1-44.5-177.800000113.2D439 E441 V446 Q447D439-G443 PolarHBondContact OD1-N 3.39Å; E441-G443 PolarHBondContact O-N 3.31Å; G443-V446 PolarHBondContact O-N 3.34Å; G443-Q447 PolarHBondContact O-N 2.82Å
444G92.2Very high93.4Very high27 Ų2749 Ų4928%0.27829%0.29SS..Hα-helixtrans-68.2-41.9177.600000112.2D437 L442 V446 Q447 L448D437-G444 WeakPolarHBondContact OD2-CA 3.39Å; D437-G444 PolarHBondContact OD2-N 2.96Å; D437-G444 VanDerWaalsContact OD2-N 3.11Å; L442-G444 VanDerWaalsContact C-N 3.33Å; L442-G444 PolarHBondContact O-N 3.2Å; G444-V446 VanDerWaalsContact C-N 3.32Å; G444-V446 PolarHBondContact O-N 3.5Å; G444-Q447 WeakPolarHBondContact O-CB 3.17Å; G444-Q447 PolarHBondContact O-N 3.32Å; G444-L448 VanDerWaalsContact O-CG 3.3Å; G444-L448 WeakPolarHBondContact O-CG 3.23Å; G444-L448 PolarHBondContact O-N 3.17Å
445A94.6Very high93.5Very high0 Ų049.2 Ų49.20%029%0.291CS..Hα-helixtrans-63.5-36.9176.600000112.1M434 D437 L442 M449 L511M434-A445 HydrophobicContact CB-CB 4.47Å; M434-A445 HydrophobicContact CG-CB 3.77Å; M434-A445 VanDerWaalsContact O-CB 3.29Å; M434-A445 WeakPolarHBondContact O-CB 3.27Å; D437-A445 HydrophobicContact CB-CB 3.89Å; D437-A445 PolarHBondContact OD2-N 3.27Å; L442-A445 HydrophobicContact CB-CB 4.08Å; L442-A445 HydrophobicContact CD2-CB 4.33Å; L442-A445 PolarHBondContact O-N 3.15Å; A445-M449 WeakPolarHBondContact O-CB 3.09Å; A445-M449 PolarHBondContact O-N 3.13Å; A445-L511 HydrophobicContact CB-CD1 4.05Å
446V95.6Very high93.6Very high79 Ų7947 Ų4748%0.47928%0.28SS..Hα-helixtrans-63.5-43.1174171.60000111L442 G443 G444 G450 L511L442-V446 VanDerWaalsContact O-CG2 3.31Å; L442-V446 WeakPolarHBondContact O-CG2 3.47Å; L442-V446 PolarHBondContact O-N 3.44Å; G443-V446 PolarHBondContact O-N 3.34Å; G444-V446 VanDerWaalsContact C-N 3.32Å; G444-V446 PolarHBondContact O-N 3.5Å; V446-G450 PolarHBondContact O-N 3.08Å; V446-L511 HydrophobicContact CG2-CD1 4.16Å; V446-L511 HydrophobicContact CG2-CD2 4.01Å
447Q95Very high93.7Very high69 Ų6944 Ų4432%0.32226%0.258SS..Hα-helixtrans-61.3-53.8175.4-175-17710.700110.9D383 G443 G444 M449 G450 L451D383-Q447 PolarHBondContact OD1-NE2 3.2Å; D383-Q447 VanDerWaalsContact OD1-NE2 3.14Å; G443-Q447 PolarHBondContact O-N 2.82Å; G444-Q447 WeakPolarHBondContact O-CB 3.17Å; G444-Q447 PolarHBondContact O-N 3.32Å; Q447-M449 VanDerWaalsContact C-N 3.3Å; Q447-M449 PolarHBondContact O-N 3.33Å; Q447-G450 WeakPolarHBondContact O-CA 3.37Å; Q447-G450 PolarHBondContact O-N 2.92Å; Q447-L451 WeakPolarHBondContact O-CG 3.31Å; Q447-L451 PolarHBondContact O-N 3.21Å
448L96.5Very high93.8Very high7 Ų743.5 Ų43.54%0.03726%0.256CS..Hα-helixtrans-59.4-39.7179.9-67.4166.9000112.1T382 I430 H433 M434 G444 G450 L451 L452T382-L448 HydrophobicContact CG2-CD2 3.49Å; T382-L448 VanDerWaalsContact CG2-CD2 3.49Å; T382-L448 HydrophobicContact CG2-CG 4.08Å; I430-L448 HydrophobicContact CD1-CD2 3.99Å; I430-L448 HydrophobicContact CG2-CB 4.46Å; I430-L448 HydrophobicContact CG2-CD2 3.98Å; H433-L448 HydrophobicContact CB-CD1 3.81Å; M434-L448 HydrophobicContact CB-CB 4.04Å; M434-L448 HydrophobicContact CB-CD1 4.12Å; M434-L448 HydrophobicContact CG-CB 4.39Å; G444-L448 VanDerWaalsContact O-CG 3.3Å; G444-L448 WeakPolarHBondContact O-CG 3.23Å; G444-L448 PolarHBondContact O-N 3.17Å; L448-G450 VanDerWaalsContact C-N 3.32Å; L448-G450 PolarHBondContact O-N 2.99Å; L448-L451 WeakPolarHBondContact O-CB 3.37Å; L448-L451 PolarHBondContact O-N 2.74Å; L448-L452 WeakPolarHBondContact O-CG 3.42Å; L448-L452 PolarHBondContact O-N 3.36Å
449M96.7Very high93.9Very high11 Ų1144.4 Ų44.45%0.05425%0.252CS..Hα-helixtrans-60.4-40.7173.2171.461.6-171.600111.9M434 A445 Q447 L452 R453 L511 E514 L515M434-M449 HydrophobicContact SD-CB 3.9Å; M434-M449 HydrophobicContact SD-SD 4.33Å; A445-M449 WeakPolarHBondContact O-CB 3.09Å; A445-M449 PolarHBondContact O-N 3.13Å; Q447-M449 VanDerWaalsContact C-N 3.3Å; Q447-M449 PolarHBondContact O-N 3.33Å; M449-L452 PolarHBondContact O-N 2.88Å; M449-R453 WeakPolarHBondContact O-CB 3.44Å; M449-R453 PolarHBondContact O-N 3.19Å; M449-L511 VanDerWaalsContact CE-O 3.31Å; M449-L511 WeakPolarHBondContact CE-O 3.48Å; M449-L511 HydrophobicContact CG-CB 4.41Å; M449-L511 HydrophobicContact CG-CD2 4.36Å; M449-E514 HydrophobicContact CE-CB 4.12Å; M449-E514 HydrophobicContact CE-CG 4.35Å; M449-L515 HydrophobicContact CE-CB 3.31Å; M449-L515 HydrophobicContact CE-CD1 3.96Å; M449-L515 HydrophobicContact CE-CD2 4.33Å; M449-L515 HydrophobicContact CE-CG 4.02Å; M449-L515 VanDerWaalsContact CE-N 3.27Å; M449-L515 HydrophobicContact SD-CB 3.73Å; M449-L515 HydrophobicContact SD-CD1 4.35Å; M449-L515 HydrophobicContact SD-CD2 3.78Å; M449-L515 HydrophobicContact SD-CG 4.15Å
450G96.8Very high93.9Very high33 Ų3343.9 Ų43.934%0.3425%0.249SC..Hα-helixtrans-60.3-44.2172.100000112.4V446 Q447 L448 R453 T454V446-G450 PolarHBondContact O-N 3.08Å; Q447-G450 WeakPolarHBondContact O-CA 3.37Å; Q447-G450 PolarHBondContact O-N 2.92Å; L448-G450 VanDerWaalsContact C-N 3.32Å; L448-G450 PolarHBondContact O-N 2.99Å; G450-R453 WeakPolarHBondContact O-CB 3.15Å; G450-R453 PolarHBondContact O-N 3Å; G450-T454 PolarHBondContact O-N 3.26Å; G450-T454 PolarHBondContact O-OG1 3.43Å; G450-T454 VanDerWaalsContact O-OG1 3.14Å
451L97Very high94Very high12 Ų1239.6 Ų39.66%0.06322%0.221CC..Hα-helixtrans-64.3-45.7177.1-56.5-175.5000112F385 V389 Q447 L448 R453 T454 L455F385-L451 HydrophobicContact CD1-CD1 3.67Å; F385-L451 HydrophobicContact CE1-CB 4.5Å; F385-L451 HydrophobicContact CE1-CD1 4.24Å; V389-L451 HydrophobicContact CB-CD2 4.25Å; V389-L451 HydrophobicContact CG1-CB 4.4Å; V389-L451 HydrophobicContact CG1-CD2 4.24Å; Q447-L451 WeakPolarHBondContact O-CG 3.31Å; Q447-L451 PolarHBondContact O-N 3.21Å; L448-L451 WeakPolarHBondContact O-CB 3.37Å; L448-L451 PolarHBondContact O-N 2.74Å; L451-R453 VanDerWaalsContact C-N 3.29Å; L451-R453 PolarHBondContact O-N 3.42Å; L451-T454 PolarHBondContact O-N 3.49Å; L451-L455 WeakPolarHBondContact O-CG 3.31Å; L451-L455 PolarHBondContact O-N 3.1Å
452L97.4Very high93.3Very high0 Ų038.6 Ų38.60%022%0.22CC..Hα-helixtrans-59-42.8175.3-72.3172.3000111.1I427 I430 I431 M434 L448 M449 L455 V456 L515I427-L452 HydrophobicContact CD1-CD2 4.31Å; I427-L452 HydrophobicContact CG1-CD2 3.8Å; I430-L452 HydrophobicContact CG2-CD1 4.3Å; I430-L452 HydrophobicContact CG2-CD2 3.84Å; I430-L452 HydrophobicContact CG2-CG 3.91Å; I431-L452 HydrophobicContact CG1-CD1 3.71Å; I431-L452 HydrophobicContact CG1-CD2 3.98Å; M434-L452 HydrophobicContact SD-CD1 4.02Å; L448-L452 WeakPolarHBondContact O-CG 3.42Å; L448-L452 PolarHBondContact O-N 3.36Å; M449-L452 PolarHBondContact O-N 2.88Å; L452-L455 PolarHBondContact O-N 2.92Å; L452-V456 WeakPolarHBondContact O-CG1 3.29Å; L452-V456 WeakPolarHBondContact O-CG2 3.31Å; L452-V456 PolarHBondContact O-N 3.09Å; L452-L515 HydrophobicContact CB-CD2 4.19Å
453R97.2Very high92.1Very high106 Ų10642.7 Ų42.740%0.426%0.255SS..Hα-helixtrans-58.7-48.4175.2-177.9178.6175.4170.3-3.3111.4M449 G450 L451 L455 V456 D457 L515 F518M449-R453 WeakPolarHBondContact O-CB 3.44Å; M449-R453 PolarHBondContact O-N 3.19Å; G450-R453 WeakPolarHBondContact O-CB 3.15Å; G450-R453 PolarHBondContact O-N 3Å; L451-R453 VanDerWaalsContact C-N 3.29Å; L451-R453 PolarHBondContact O-N 3.42Å; R453-L455 VanDerWaalsContact C-N 3.3Å; R453-L455 PolarHBondContact O-N 2.92Å; R453-V456 PolarHBondContact O-N 3.23Å; R453-D457 WeakPolarHBondContact O-CB 3.43Å; R453-D457 PolarHBondContact O-N 3.07Å; R453-L515 HydrophobicContact CB-CD1 4.11Å; R453-F518 HydrophobicContact CG-CD2 4.47Å; R453-F518 HydrophobicContact CG-CE2 4.48Å
454T96.5Very high90.8Very high46 Ų4642.5 Ų42.528%0.28225%0.245SC..Hα-helixtrans-58.3-41.8177.7-60.70000111.9V389 G450 L451 N460V389-T454 HydrophobicContact CG1-CG2 3.71Å; G450-T454 PolarHBondContact O-N 3.26Å; G450-T454 PolarHBondContact O-OG1 3.43Å; G450-T454 VanDerWaalsContact O-OG1 3.14Å; L451-T454 PolarHBondContact O-N 3.49Å; T454-N460 WeakPolarHBondContact CG2-ND2 3.31Å; T454-N460 PolarHBondContact O-ND2 3.06Å
455L96.4Very high89.6Confident3 Ų346.4 Ų46.42%0.01628%0.275CS..Hα-helixtrans-68.2-39.1-179.6-72.3172.7000113F385 V389 P393 V396 R397 L451 L452 R453 M461 F473F385-L455 HydrophobicContact CE1-CD1 4.39Å; F385-L455 HydrophobicContact CZ-CD1 4.09Å; V389-L455 HydrophobicContact CG1-CD2 4.13Å; V389-L455 HydrophobicContact CG1-CG 3.98Å; V389-L455 HydrophobicContact CG2-CD1 4.14Å; V389-L455 HydrophobicContact CG2-CD2 4.15Å; V389-L455 HydrophobicContact CG2-CG 4.19Å; P393-L455 HydrophobicContact CB-CD2 4.1Å; V396-L455 HydrophobicContact CB-CD2 3.98Å; V396-L455 HydrophobicContact CG1-CD1 4.22Å; V396-L455 HydrophobicContact CG1-CD2 3.91Å; R397-L455 HydrophobicContact CG-CD2 4.24Å; R397-L455 PolarHBondContact NH1-O 2.92Å; L451-L455 WeakPolarHBondContact O-CG 3.31Å; L451-L455 PolarHBondContact O-N 3.1Å; L452-L455 PolarHBondContact O-N 2.92Å; R453-L455 VanDerWaalsContact C-N 3.3Å; R453-L455 PolarHBondContact O-N 2.92Å; L455-M461 WeakPolarHBondContact O-CE 3.2Å; L455-F473 HydrophobicContact CB-CZ 4.46Å; L455-F473 WeakPolarHBondContact O-CE1 3.48Å
456V96.3Very high88.5Confident0 Ų050 Ų500%029%0.294CS..Hα-helixtrans-86.4-10.2-179.2-54.90000113.8L452 R453 P458 M461 F473 F477 L515 F518 H523L452-V456 WeakPolarHBondContact O-CG1 3.29Å; L452-V456 WeakPolarHBondContact O-CG2 3.31Å; L452-V456 PolarHBondContact O-N 3.09Å; R453-V456 PolarHBondContact O-N 3.23Å; V456-P458 VanDerWaalsContact O-CD 3.23Å; V456-P458 WeakPolarHBondContact O-CD 3.44Å; V456-M461 WeakPolarHBondContact O-CE 3.39Å; V456-F473 HydrophobicContact CG1-CE1 4.21Å; V456-F477 HydrophobicContact CG1-CD1 4.13Å; V456-F477 HydrophobicContact CG1-CD2 3.82Å; V456-F477 HydrophobicContact CG1-CE1 3.95Å; V456-F477 HydrophobicContact CG1-CE2 3.65Å; V456-F477 HydrophobicContact CG1-CG 4.07Å; V456-F477 HydrophobicContact CG1-CZ 3.72Å; V456-L515 HydrophobicContact CG2-CD1 4.05Å; V456-F518 HydrophobicContact CG2-CD1 4.31Å; V456-F518 HydrophobicContact CG2-CE1 4.03Å; V456-H523 PolarHBondContact O-NE2 3.41Å
457D95.3Very high87.7Confident22 Ų2255.8 Ų55.812%0.11831%0.313CS..  trans-66.4117.5-179.9-163.4-29.1000111.8R453 E459 N460 F518R453-D457 WeakPolarHBondContact O-CB 3.43Å; R453-D457 PolarHBondContact O-N 3.07Å; D457-E459 PolarHBondContact O-N 3.13Å; D457-E459 WeakPolarHBondContact OD1-CB 3.38Å; D457-E459 PolarHBondContact OD1-N 2.58Å; D457-N460 PolarHBondContact O-N 3.05Å; D457-F518 HydrophobicContact CB-CE1 4.42Å; D457-F518 HydrophobicContact CB-CZ 3.82Å
458P92.3Very high87.2Confident14 Ų1455.2 Ų55.29%0.09131%0.314CS..G310 helixtrans-59.9-25.5176.3-2537000113.9V456 N460 M461 L462 K470 H522V456-P458 VanDerWaalsContact O-CD 3.23Å; V456-P458 WeakPolarHBondContact O-CD 3.44Å; P458-N460 PolarHBondContact O-N 3.26Å; P458-M461 WeakPolarHBondContact O-CB 3.22Å; P458-M461 PolarHBondContact O-N 3.3Å; P458-L462 WeakPolarHBondContact O-CG 3.49Å; P458-L462 PolarHBondContact O-N 3.21Å; P458-K470 HydrophobicContact CB-CD 4.31Å; P458-H522 HydrophobicContact CG-CB 4Å
459E89.7Confident86.8Confident133 Ų13355.7 Ų55.762%0.62132%0.316SS*.G310 helixtrans-61.2-36.1175.5-66.5-169.5173.200111.4D457 M461 L462D457-E459 PolarHBondContact O-N 3.13Å; D457-E459 WeakPolarHBondContact OD1-CB 3.38Å; D457-E459 PolarHBondContact OD1-N 2.58Å; E459-M461 PolarHBondContact O-N 3.26Å; E459-L462 PolarHBondContact O-N 2.97Å
460N89.3Confident86.5Confident55 Ų5558.6 Ų58.629%0.29433%0.328SS..G310 helixtrans-76.9-5.3175.8-65.5-34.7000113.5P393 R397 T454 D457 P458P393-N460 HydrophobicContact CG-CB 4.43Å; R397-N460 PolarHBondContact NH2-O 3.25Å; T454-N460 WeakPolarHBondContact CG2-ND2 3.31Å; T454-N460 PolarHBondContact O-ND2 3.06Å; D457-N460 PolarHBondContact O-N 3.05Å; P458-N460 PolarHBondContact O-N 3.26Å
461M88.3Confident86.2Confident7 Ų759.2 Ų59.23%0.03433%0.326CS..G310 helixtrans-102.5-14.8176.5-56.8169.4-166.400112.1L455 V456 P458 E459 A463 T464 K470 F473 L474L455-M461 WeakPolarHBondContact O-CE 3.2Å; V456-M461 WeakPolarHBondContact O-CE 3.39Å; P458-M461 WeakPolarHBondContact O-CB 3.22Å; P458-M461 PolarHBondContact O-N 3.3Å; E459-M461 PolarHBondContact O-N 3.26Å; M461-A463 VanDerWaalsContact C-N 3.31Å; M461-T464 PolarHBondContact O-OG1 3.14Å; M461-K470 HydrophobicContact CB-CB 4.27Å; M461-K470 HydrophobicContact SD-CB 4.05Å; M461-K470 HydrophobicContact SD-CG 4.04Å; M461-F473 HydrophobicContact CE-CD1 3.46Å; M461-F473 VanDerWaalsContact CE-CD1 3.46Å; M461-F473 HydrophobicContact CE-CE1 3.93Å; M461-F473 HydrophobicContact CE-CG 4.45Å; M461-F473 HydrophobicContact SD-CD1 4.47Å; M461-L474 HydrophobicContact CE-CD2 4.39Å
462L75Confident86Confident138 Ų13863 Ų6372%0.72334%0.343SS*.THydrogen-bonded Turntrans-75.1-21.5177.5-68.4174.1000113P458 E459 T464P458-L462 WeakPolarHBondContact O-CG 3.49Å; P458-L462 PolarHBondContact O-N 3.21Å; E459-L462 PolarHBondContact O-N 2.97Å; L462-T464 PolarHBondContact O-N 2.66Å
463A64.5Low85.9Confident92 Ų9263 Ų6376%0.7634%0.343SS*.THydrogen-bonded Turntrans-73.5-13-177.100000113.6M461M461-A463 VanDerWaalsContact C-N 3.31Å
464T64.8Low85.8Confident38 Ų3858 Ų5823%0.23332%0.324CS..SBendtrans-89.5156-175.162.80000112.8S394 M461 L462 N466 E469S394-T464 WeakPolarHBondContact OG-CG2 3.4Å; M461-T464 PolarHBondContact O-OG1 3.14Å; L462-T464 PolarHBondContact O-N 2.66Å; T464-N466 PolarHBondContact O-N 3.11Å; T464-E469 WeakPolarHBondContact CB-OE2 3.47Å; T464-E469 WeakPolarHBondContact CG2-OE2 3Å; T464-E469 PolarHBondContact OG1-OE2 3.13Å
465A65.5Low85.7Confident110 Ų11056.9 Ų56.991%0.90932%0.322SS*.SBendtrans-67.1-20173.800000112.5K467A465-K467 PolarHBondContact O-N 2.86Å
466N73.3Confident85.6Confident74 Ų7457.5 Ų57.540%0.39633%0.325SS..  trans-91.498.7-175.6-171.715.1000111.8T464 T468 E469T464-N466 PolarHBondContact O-N 3.11Å; N466-T468 PolarHBondContact ND2-OG1 3.03Å; N466-T468 PolarHBondContact O-N 3.17Å; N466-T468 VanDerWaalsContact O-N 3.07Å; N466-T468 PolarHBondContact OD1-N 3.03Å; N466-T468 PolarHBondContact OD1-OG1 2.83Å; N466-E469 HydrophobicContact CB-CB 4.35Å; N466-E469 WeakPolarHBondContact O-CB 3.22Å; N466-E469 PolarHBondContact O-N 3.34Å; N466-E469 VanDerWaalsContact O-N 3.13Å
467K77.3Confident85.6Confident201 Ų20157.5 Ų57.587%0.87433%0.325SS*.THydrogen-bonded Turntrans-61.3-18.4179.8-64.1-175.7179.9-178.80114.2A465A465-K467 PolarHBondContact O-N 2.86Å
468T85.3Confident85.7Confident58 Ų5857.5 Ų57.536%0.35632%0.323SS..THydrogen-bonded Turntrans-92.4-9.7-179.963.30000113.8N466 K470 T471 E472N466-T468 PolarHBondContact ND2-OG1 3.03Å; N466-T468 PolarHBondContact O-N 3.17Å; N466-T468 VanDerWaalsContact O-N 3.07Å; N466-T468 PolarHBondContact OD1-N 3.03Å; N466-T468 PolarHBondContact OD1-OG1 2.83Å; T468-K470 PolarHBondContact O-N 3.24Å; T468-K470 VanDerWaalsContact O-N 3.17Å; T468-T471 PolarHBondContact O-N 2.99Å; T468-E472 VanDerWaalsContact CB-OE1 3.31Å; T468-E472 WeakPolarHBondContact CB-OE1 3.36Å; T468-E472 WeakPolarHBondContact O-CG 3.21Å; T468-E472 PolarHBondContact O-N 3.28Å; T468-E472 PolarHBondContact OG1-OE1 2.79Å
469E87.3Confident85.7Confident17 Ų1762.8 Ų62.88%0.07935%0.345CS..Hα-helixtrans-53.5-42.9-176.2-176.5-169.4-177.600111.6R397 T464 N466 T471 E472 F473R397-E469 IonicContact CZ-OE1 2.64Å; R397-E469 VanDerWaalsContact CZ-OE1 3.26Å; R397-E469 IonicContact NE-OE1 2.83Å; R397-E469 PolarHBondContact NE-OE1 2.88Å; R397-E469 IonicContact NH2-OE1 2.82Å; R397-E469 PolarHBondContact NH2-OE1 3.27Å; R397-E469 IonicContact NH2-OE2 3.85Å; T464-E469 WeakPolarHBondContact CB-OE2 3.47Å; T464-E469 WeakPolarHBondContact CG2-OE2 3Å; T464-E469 PolarHBondContact OG1-OE2 3.13Å; N466-E469 HydrophobicContact CB-CB 4.35Å; N466-E469 WeakPolarHBondContact O-CB 3.22Å; N466-E469 PolarHBondContact O-N 3.34Å; N466-E469 VanDerWaalsContact O-N 3.13Å; E469-T471 PolarHBondContact O-N 3.31Å; E469-E472 PolarHBondContact O-N 3.45Å; E469-F473 VanDerWaalsContact O-CB 3.25Å; E469-F473 WeakPolarHBondContact O-CB 3.1Å; E469-F473 PolarHBondContact O-N 2.82Å
470K90.4Very high85.8Confident71 Ų7158.2 Ų58.231%0.30932%0.324SS..Hα-helixtrans-55.3-52.7178.1178.8-169.8170.3-168.40111.7P458 M461 T468 L474P458-K470 HydrophobicContact CB-CD 4.31Å; M461-K470 HydrophobicContact CB-CB 4.27Å; M461-K470 HydrophobicContact SD-CB 4.05Å; M461-K470 HydrophobicContact SD-CG 4.04Å; T468-K470 PolarHBondContact O-N 3.24Å; T468-K470 VanDerWaalsContact O-N 3.17Å; K470-L474 HydrophobicContact CG-CD1 3.94Å; K470-L474 VanDerWaalsContact O-CB 3.27Å; K470-L474 WeakPolarHBondContact O-CB 3.45Å; K470-L474 WeakPolarHBondContact O-CG 3.33Å; K470-L474 PolarHBondContact O-N 2.96Å
471T91Very high86.1Confident47 Ų4755.6 Ų55.629%0.28831%0.31SS..Hα-helixtrans-68.5-41-175.9-58.40000111T468 E469 G475T468-T471 PolarHBondContact O-N 2.99Å; E469-T471 PolarHBondContact O-N 3.31Å; T471-G475 PolarHBondContact O-N 3.24Å
472E92.2Very high86.5Confident91 Ų9155.3 Ų55.343%0.42531%0.308SS..Hα-helixtrans-66.3-48.6179.4-67.1170.2-168.900111.8M401 T468 E469 G475 F476M401-E472 HydrophobicContact CE-CB 3.55Å; T468-E472 VanDerWaalsContact CB-OE1 3.31Å; T468-E472 WeakPolarHBondContact CB-OE1 3.36Å; T468-E472 WeakPolarHBondContact O-CG 3.21Å; T468-E472 PolarHBondContact O-N 3.28Å; T468-E472 PolarHBondContact OG1-OE1 2.79Å; E469-E472 PolarHBondContact O-N 3.45Å; E472-G475 PolarHBondContact O-N 2.94Å; E472-F476 PolarHBondContact O-N 3.25Å
473F95.1Very high87.4Confident0 Ų053.2 Ų53.20%029%0.294CS..Hα-helixtrans-68.5-42.2-179.6-178.2-101.5000112.3R397 V400 M401 I427 L455 V456 M461 E469 G475 F476 F477R397-F473 HydrophobicContact CB-CD2 3.75Å; R397-F473 HydrophobicContact CB-CE2 3.95Å; R397-F473 HydrophobicContact CB-CG 4.39Å; R397-F473 HydrophobicContact CG-CD1 4.33Å; R397-F473 HydrophobicContact CG-CD2 3.61Å; R397-F473 HydrophobicContact CG-CE1 4.19Å; R397-F473 HydrophobicContact CG-CE2 3.48Å; R397-F473 VanDerWaalsContact CG-CE2 3.48Å; R397-F473 HydrophobicContact CG-CG 4.04Å; R397-F473 HydrophobicContact CG-CZ 3.78Å; V400-F473 HydrophobicContact CG2-CE2 3.85Å; M401-F473 HydrophobicContact CG-CD2 4.11Å; M401-F473 HydrophobicContact SD-CB 3.89Å; M401-F473 HydrophobicContact SD-CD2 3.93Å; M401-F473 HydrophobicContact SD-CG 4.43Å; I427-F473 HydrophobicContact CD1-CZ 4.18Å; L455-F473 HydrophobicContact CB-CZ 4.46Å; L455-F473 WeakPolarHBondContact O-CE1 3.48Å; V456-F473 HydrophobicContact CG1-CE1 4.21Å; M461-F473 HydrophobicContact CE-CD1 3.46Å; M461-F473 VanDerWaalsContact CE-CD1 3.46Å; M461-F473 HydrophobicContact CE-CE1 3.93Å; M461-F473 HydrophobicContact CE-CG 4.45Å; M461-F473 HydrophobicContact SD-CD1 4.47Å; E469-F473 VanDerWaalsContact O-CB 3.25Å; E469-F473 WeakPolarHBondContact O-CB 3.1Å; E469-F473 PolarHBondContact O-N 2.82Å; F473-G475 VanDerWaalsContact C-N 3.33Å; F473-F476 AromaticContact CD2-CD1 3.99Å; F473-F476 HydrophobicContact CD2-CD1 3.99Å; F473-F476 AromaticContact CE2-CD1 3.9Å; F473-F476 HydrophobicContact CE2-CD1 3.9Å; F473-F476 HydrophobicContact CE2-CE1 4.1Å; F473-F476 WeakPolarHBondContact O-CB 3.36Å; F473-F476 PolarHBondContact O-N 2.84Å; F473-F477 WeakPolarHBondContact O-CB 3.48Å; F473-F477 PolarHBondContact O-N 2.92Å
474L95.7Very high88.9Confident0 Ų049.9 Ų49.90%026%0.264CS..Hα-helixtrans-65.4-39.2174.7-67.6-179.3000110.9M461 K470 F476 F477 Y478 H523M461-L474 HydrophobicContact CE-CD2 4.39Å; K470-L474 HydrophobicContact CG-CD1 3.94Å; K470-L474 VanDerWaalsContact O-CB 3.27Å; K470-L474 WeakPolarHBondContact O-CB 3.45Å; K470-L474 WeakPolarHBondContact O-CG 3.33Å; K470-L474 PolarHBondContact O-N 2.96Å; L474-F476 VanDerWaalsContact C-N 3.33Å; L474-F476 PolarHBondContact O-N 3.38Å; L474-F477 PolarHBondContact O-N 3.46Å; L474-Y478 HydrophobicContact CD2-CE2 4.49Å; L474-Y478 VanDerWaalsContact O-CD2 3.27Å; L474-Y478 WeakPolarHBondContact O-CD2 3.12Å; L474-Y478 PolarHBondContact O-N 2.93Å; L474-H523 HydrophobicContact CD1-CB 4.5Å
475G94.2Very high90.5Very high23 Ų2348 Ų4824%0.23725%0.253CS..Hα-helixtrans-54.4-49.4171.100000112T471 E472 F473 K479T471-G475 PolarHBondContact O-N 3.24Å; E472-G475 PolarHBondContact O-N 2.94Å; F473-G475 VanDerWaalsContact C-N 3.33Å; G475-K479 VanDerWaalsContact O-CB 3.24Å; G475-K479 WeakPolarHBondContact O-CB 3.13Å; G475-K479 PolarHBondContact O-N 2.82Å; G475-K479 VanDerWaalsContact O-N 3.1Å
476F94.6Very high92Very high17 Ų1742.8 Ų42.88%0.07521%0.21CC..Hα-helixtrans-58.1-52.9173.9160.7-103.1000112.4V400 M401 A404 L425 I427 E472 F473 L474 Y478 K479 H480V400-F476 HydrophobicContact CB-CE1 4.23Å; V400-F476 HydrophobicContact CB-CZ 4.22Å; V400-F476 HydrophobicContact CG2-CD1 4.47Å; V400-F476 HydrophobicContact CG2-CE1 3.73Å; V400-F476 HydrophobicContact CG2-CZ 4.21Å; M401-F476 HydrophobicContact CG-CB 4.34Å; M401-F476 HydrophobicContact CG-CD1 4.27Å; M401-F476 HydrophobicContact CG-CG 4.23Å; A404-F476 HydrophobicContact CB-CD2 3.66Å; A404-F476 HydrophobicContact CB-CE2 3.35Å; A404-F476 HydrophobicContact CB-CZ 4.39Å; L425-F476 HydrophobicContact CD1-CE2 3.78Å; L425-F476 HydrophobicContact CD1-CZ 3.99Å; I427-F476 HydrophobicContact CG2-CE1 4.24Å; I427-F476 HydrophobicContact CG2-CZ 4.07Å; E472-F476 PolarHBondContact O-N 3.25Å; F473-F476 AromaticContact CD2-CD1 3.99Å; F473-F476 HydrophobicContact CD2-CD1 3.99Å; F473-F476 AromaticContact CE2-CD1 3.9Å; F473-F476 HydrophobicContact CE2-CD1 3.9Å; F473-F476 HydrophobicContact CE2-CE1 4.1Å; F473-F476 WeakPolarHBondContact O-CB 3.36Å; F473-F476 PolarHBondContact O-N 2.84Å; L474-F476 VanDerWaalsContact C-N 3.33Å; L474-F476 PolarHBondContact O-N 3.38Å; F476-Y478 PolarHBondContact O-N 2.7Å; F476-K479 PolarHBondContact O-N 2.9Å; F476-H480 HydrophobicContact CD2-CB 4.2Å; F476-H480 AromaticContact CD2-CD2 3.58Å; F476-H480 HydrophobicContact CE2-CB 3.89Å; F476-H480 PolarHBondContact O-CD2 3.18Å; F476-H480 PolarHBondContact O-N 3.08Å
477F96.4Very high93.1Very high0 Ų041.5 Ų41.50%021%0.21CC..Hα-helixtrans-60.7-43.9-174.7-172.6-97.1000111.9I427 V456 F473 L474 C481 M482 L485I427-F477 HydrophobicContact CD1-CD2 3.84Å; I427-F477 HydrophobicContact CD1-CE2 3.86Å; V456-F477 HydrophobicContact CG1-CD1 4.13Å; V456-F477 HydrophobicContact CG1-CD2 3.82Å; V456-F477 HydrophobicContact CG1-CE1 3.95Å; V456-F477 HydrophobicContact CG1-CE2 3.65Å; V456-F477 HydrophobicContact CG1-CG 4.07Å; V456-F477 HydrophobicContact CG1-CZ 3.72Å; F473-F477 WeakPolarHBondContact O-CB 3.48Å; F473-F477 PolarHBondContact O-N 2.92Å; L474-F477 PolarHBondContact O-N 3.46Å; F477-C481 HydrophobicContact CD2-CB 3.68Å; F477-C481 HydrophobicContact CE2-CB 3.77Å; F477-C481 HydrophobicContact CG-CB 4.19Å; F477-C481 HydrophobicContact CZ-CB 4.36Å; F477-C481 CarbonylContact O-C 3.6Å; F477-C481 WeakPolarHBondContact O-CA 3.46Å; F477-C481 VanDerWaalsContact O-CB 3.29Å; F477-C481 WeakPolarHBondContact O-CB 3.28Å; F477-C481 PolarHBondContact O-N 3.45Å; F477-M482 HydrophobicContact CD1-CE 4.04Å; F477-M482 HydrophobicContact CE1-CB 4.49Å; F477-M482 HydrophobicContact CE1-CE 3.6Å; F477-M482 HydrophobicContact CE1-SD 4.35Å; F477-M482 PolarHBondContact O-N 2.55Å; F477-L485 HydrophobicContact CZ-CD2 4.38Å
478Y96.7Very high94.1Very high21 Ų2133.1 Ų33.18%0.08218%0.176CC..Hα-helixtrans-71.7-32.4178.9-83.3-92.6000113.4L474 F476 M482 H523 H526 I527 Y530L474-Y478 HydrophobicContact CD2-CE2 4.49Å; L474-Y478 VanDerWaalsContact O-CD2 3.27Å; L474-Y478 WeakPolarHBondContact O-CD2 3.12Å; L474-Y478 PolarHBondContact O-N 2.93Å; F476-Y478 PolarHBondContact O-N 2.7Å; Y478-M482 HydrophobicContact CD1-CB 4.21Å; Y478-M482 HydrophobicContact CD1-CE 4.01Å; Y478-M482 HydrophobicContact CD1-CG 4Å; Y478-M482 HydrophobicContact CE1-CE 3.36Å; Y478-M482 HydrophobicContact CE1-CG 4.11Å; Y478-M482 HydrophobicContact CE1-SD 4.48Å; Y478-M482 HydrophobicContact CE2-CE 4.04Å; Y478-M482 WeakPolarHBondContact OH-CE 3.5Å; Y478-H523 HydrophobicContact CE2-CB 4.32Å; Y478-H523 AromaticContact CE2-ND1 3.51Å; Y478-H523 AromaticContact CZ-ND1 3.69Å; Y478-H523 PolarHBondContact OH-ND1 3.45Å; Y478-H526 HydrophobicContact CD1-CB 4.4Å; Y478-H526 HydrophobicContact CD2-CB 3.73Å; Y478-H526 HydrophobicContact CE1-CB 4.33Å; Y478-H526 HydrophobicContact CE2-CB 3.63Å; Y478-H526 HydrophobicContact CG-CB 4.12Å; Y478-I527 HydrophobicContact CE1-CB 4.32Å; Y478-I527 HydrophobicContact CE1-CD1 4.08Å; Y478-I527 VanDerWaalsContact OH-CB 3.26Å; Y478-I527 WeakPolarHBondContact OH-CB 3.42Å; Y478-I527 WeakPolarHBondContact OH-CD1 3.45Å; Y478-Y530 HydrophobicContact CD1-CD2 4.1Å; Y478-Y530 HydrophobicContact CD1-CG 4.03Å; Y478-Y530 HydrophobicContact CE1-CG 4.16Å
479K92.3Very high94.7Very high126 Ų12630.4 Ų30.455%0.54816%0.159SC..Hα-helixtrans-72.8-46.8176.8-176.9178.1165.8-141.60111.5D408 G475 F476D408-K479 IonicContact OD2-NZ 3.47Å; D408-K479 PolarHBondContact OD2-NZ 3.05Å; G475-K479 VanDerWaalsContact O-CB 3.24Å; G475-K479 WeakPolarHBondContact O-CB 3.13Å; G475-K479 PolarHBondContact O-N 2.82Å; G475-K479 VanDerWaalsContact O-N 3.1Å; F476-K479 PolarHBondContact O-N 2.9Å
480H92Very high95.2Very high37 Ų3731.5 Ų31.517%0.17117%0.165CC..Hα-helixtrans-108.9-18.3-166.2-62.1-84.4000115.6D408 L425 N428 F476 H483D408-H480 IonicContact OD1-CE1 2.79Å; D408-H480 IonicContact OD2-CE1 3.87Å; D408-H480 IonicContact OD2-NE2 2.69Å; L425-H480 HydrophobicContact CD1-CB 3.68Å; N428-H480 PolarHBondContact ND2-O 3.33Å; N428-H480 VanDerWaalsContact ND2-O 3.12Å; F476-H480 HydrophobicContact CD2-CB 4.2Å; F476-H480 AromaticContact CD2-CD2 3.58Å; F476-H480 HydrophobicContact CE2-CB 3.89Å; F476-H480 PolarHBondContact O-CD2 3.18Å; F476-H480 PolarHBondContact O-N 3.08Å; H480-H483 VanDerWaalsContact C-CE1 3.45Å; H480-H483 PolarHBondContact O-CE1 3.39Å
481C95.3Very high95.5Very high0 Ų031.4 Ų31.40%018%0.177CC..THydrogen-bonded Turntrans-123.6-39.2-167.2-44.10000113.5I427 N428 I431 F477 H483 V484 L485I427-C481 HydrophobicContact CG2-CB 4.21Å; I427-C481 WeakPolarHBondContact CG2-SG 3.34Å; N428-C481 WeakPolarHBondContact OD1-CA 3.22Å; I431-C481 HydrophobicContact CD1-CB 4.01Å; F477-C481 HydrophobicContact CD2-CB 3.68Å; F477-C481 HydrophobicContact CE2-CB 3.77Å; F477-C481 HydrophobicContact CG-CB 4.19Å; F477-C481 HydrophobicContact CZ-CB 4.36Å; F477-C481 CarbonylContact O-C 3.6Å; F477-C481 WeakPolarHBondContact O-CA 3.46Å; F477-C481 VanDerWaalsContact O-CB 3.29Å; F477-C481 WeakPolarHBondContact O-CB 3.28Å; F477-C481 PolarHBondContact O-N 3.45Å; C481-H483 PolarHBondContact O-N 3.47Å; C481-H483 VanDerWaalsContact O-N 3.1Å; C481-V484 WeakPolarHBondContact O-CB 3.2Å; C481-V484 PolarHBondContact O-N 3Å; C481-L485 PolarHBondContact O-N 2.97Å; C481-L485 VanDerWaalsContact O-N 3.11Å
482M96.7Very high95.8Very high0 Ų029.7 Ų29.70%017%0.166CC..Hα-helixtrans-58.8-30.8-174.3-176.460.979.800113.3F477 Y478 L485 T486 L516 Y530F477-M482 HydrophobicContact CD1-CE 4.04Å; F477-M482 HydrophobicContact CE1-CB 4.49Å; F477-M482 HydrophobicContact CE1-CE 3.6Å; F477-M482 HydrophobicContact CE1-SD 4.35Å; F477-M482 PolarHBondContact O-N 2.55Å; Y478-M482 HydrophobicContact CD1-CB 4.21Å; Y478-M482 HydrophobicContact CD1-CE 4.01Å; Y478-M482 HydrophobicContact CD1-CG 4Å; Y478-M482 HydrophobicContact CE1-CE 3.36Å; Y478-M482 HydrophobicContact CE1-CG 4.11Å; Y478-M482 HydrophobicContact CE1-SD 4.48Å; Y478-M482 HydrophobicContact CE2-CE 4.04Å; Y478-M482 WeakPolarHBondContact OH-CE 3.5Å; M482-L485 HydrophobicContact SD-CD2 3.91Å; M482-T486 WeakPolarHBondContact O-CB 3.46Å; M482-T486 WeakPolarHBondContact O-CG2 3.45Å; M482-T486 PolarHBondContact O-N 3.07Å; M482-T486 PolarHBondContact O-OG1 3.34Å; M482-T486 HydrophobicContact SD-CG2 4.13Å; M482-L516 HydrophobicContact CE-CD2 4.43Å; M482-L516 HydrophobicContact SD-CD2 3.8Å; M482-Y530 HydrophobicContact CB-CE2 4.14Å; M482-Y530 HydrophobicContact CG-CD1 3.78Å; M482-Y530 HydrophobicContact CG-CD2 3.93Å; M482-Y530 HydrophobicContact CG-CE1 3.49Å; M482-Y530 VanDerWaalsContact CG-CE1 3.49Å; M482-Y530 HydrophobicContact CG-CE2 3.65Å; M482-Y530 HydrophobicContact CG-CG 4Å; M482-Y530 VanDerWaalsContact CG-CZ 3.44Å; M482-Y530 PolarHBondContact O-OH 3.33Å; M482-Y530 HydrophobicContact SD-CE1 4.35Å
483H95.1Very high96.1Very high94 Ų9425.5 Ų25.544%0.43515%0.147SC..Hα-helixtrans-72.4-30.4177.167.6-89.6000112.9H480 C481 A487 Y530H480-H483 VanDerWaalsContact C-CE1 3.45Å; H480-H483 PolarHBondContact O-CE1 3.39Å; C481-H483 PolarHBondContact O-N 3.47Å; C481-H483 VanDerWaalsContact O-N 3.1Å; H483-A487 PolarHBondContact O-N 3.23Å; H483-A487 VanDerWaalsContact O-N 3.11Å; H483-Y530 WeakPolarHBondContact CA-OH 3.36Å
484V96.2Very high96.1Very high22 Ų2230 Ų3013%0.13317%0.174CC..Hα-helixtrans-70-48.3172.8-172.40000109.4I431 E432 C481 T486 A487I431-V484 HydrophobicContact CB-CG1 4.33Å; I431-V484 HydrophobicContact CG2-CB 4.23Å; I431-V484 HydrophobicContact CG2-CG1 3.74Å; E432-V484 HydrophobicContact CG-CG1 4.28Å; C481-V484 WeakPolarHBondContact O-CB 3.2Å; C481-V484 PolarHBondContact O-N 3Å; V484-T486 VanDerWaalsContact C-N 3.27Å; V484-T486 PolarHBondContact O-N 3.46Å; V484-A487 VanDerWaalsContact O-CB 3.27Å; V484-A487 WeakPolarHBondContact O-CB 3.44Å; V484-A487 PolarHBondContact O-N 2.72Å; V484-A487 VanDerWaalsContact O-N 3.15Å
485L97.2Very high96Very high0 Ų036.3 Ų36.30%020%0.204CC..Hα-helixtrans-56.4-39.6177.4176.665.3000112.8I431 M434 F477 C481 M482 V512 L515I431-L485 HydrophobicContact CD1-CB 4.4Å; I431-L485 HydrophobicContact CG2-CB 4.26Å; M434-L485 HydrophobicContact CE-CD1 3.68Å; F477-L485 HydrophobicContact CZ-CD2 4.38Å; C481-L485 PolarHBondContact O-N 2.97Å; C481-L485 VanDerWaalsContact O-N 3.11Å; M482-L485 HydrophobicContact SD-CD2 3.91Å; L485-V512 HydrophobicContact CD1-CG2 4.31Å; L485-V512 HydrophobicContact CG-CG1 4.5Å; L485-L515 HydrophobicContact CD1-CD2 4.07Å; L485-L515 HydrophobicContact CD2-CB 4.48Å; L485-L515 HydrophobicContact CD2-CD2 3.59Å; L485-L515 HydrophobicContact CD2-CG 4.15Å; L485-L515 HydrophobicContact CG-CD2 4.49Å
486T97.8Very high95.8Very high0 Ų042.3 Ų42.30%023%0.231CC..Hα-helixtrans-90.8-5.8-177.654.70000114.3M482 V484 L489 L490 L516 Y530M482-T486 WeakPolarHBondContact O-CB 3.46Å; M482-T486 WeakPolarHBondContact O-CG2 3.45Å; M482-T486 PolarHBondContact O-N 3.07Å; M482-T486 PolarHBondContact O-OG1 3.34Å; M482-T486 HydrophobicContact SD-CG2 4.13Å; V484-T486 VanDerWaalsContact C-N 3.27Å; V484-T486 PolarHBondContact O-N 3.46Å; T486-L489 WeakPolarHBondContact O-CB 3.22Å; T486-L489 PolarHBondContact O-N 3.01Å; T486-L490 WeakPolarHBondContact O-CG 3.39Å; T486-L490 PolarHBondContact O-N 3.33Å; T486-L516 HydrophobicContact CG2-CD1 4.06Å; T486-L516 HydrophobicContact CG2-CD2 3.89Å; T486-L516 HydrophobicContact CG2-CG 4.44Å; T486-Y530 HydrophobicContact CG2-CE1 4.06Å; T486-Y530 PolarHBondContact OG1-OH 2.76Å
487A97.3Very high95.8Very high47 Ų4748.1 Ų48.139%0.38826%0.256SS..Hα-helixtrans-52.6-49.1177.800000114.1H483 V484 L489 L490 A491H483-A487 PolarHBondContact O-N 3.23Å; H483-A487 VanDerWaalsContact O-N 3.11Å; V484-A487 VanDerWaalsContact O-CB 3.27Å; V484-A487 WeakPolarHBondContact O-CB 3.44Å; V484-A487 PolarHBondContact O-N 2.72Å; V484-A487 VanDerWaalsContact O-N 3.15Å; A487-L489 VanDerWaalsContact C-N 3.33Å; A487-L489 PolarHBondContact O-N 2.84Å; A487-L490 PolarHBondContact O-N 3.45Å; A487-A491 WeakPolarHBondContact O-CB 3.46Å; A487-A491 PolarHBondContact O-N 3.5Å
488P97Very high95.7Very high25 Ų2548.9 Ų48.916%0.16226%0.261CS..Hα-helixtrans-63.7-37.6179.323.9-35.1000112.5I435 N492 L508 L509 V512I435-P488 HydrophobicContact CD1-CG 4.04Å; I435-P488 HydrophobicContact CG1-CG 4.16Å; P488-N492 WeakPolarHBondContact O-CB 3.29Å; P488-N492 PolarHBondContact O-N 3.11Å; P488-L508 HydrophobicContact CB-CD2 4.25Å; P488-L509 HydrophobicContact CB-CD2 4.39Å; P488-V512 HydrophobicContact CG-CG2 4.33Å
489L98.2Very high95.7Very high0 Ų051.2 Ų51.20%028%0.28CS..Hα-helixtrans-61.4-48.6174.8170.467000110.9T486 A487 N492 T493 L509 V512 L516 I536 V540 L543T486-L489 WeakPolarHBondContact O-CB 3.22Å; T486-L489 PolarHBondContact O-N 3.01Å; A487-L489 VanDerWaalsContact C-N 3.33Å; A487-L489 PolarHBondContact O-N 2.84Å; L489-N492 PolarHBondContact O-N 2.95Å; L489-T493 HydrophobicContact CD1-CG2 4.07Å; L489-T493 WeakPolarHBondContact O-CB 3.36Å; L489-T493 VanDerWaalsContact O-CG2 3.23Å; L489-T493 WeakPolarHBondContact O-CG2 3.42Å; L489-T493 PolarHBondContact O-N 3.43Å; L489-T493 PolarHBondContact O-OG1 2.83Å; L489-L509 VanDerWaalsContact CA-CD2 3.49Å; L489-L509 HydrophobicContact CB-CD2 4Å; L489-L509 HydrophobicContact CD1-CD2 4.43Å; L489-V512 HydrophobicContact CB-CG1 4.49Å; L489-L516 HydrophobicContact CD2-CD1 3.94Å; L489-I536 HydrophobicContact CD2-CG2 4.3Å; L489-V540 HydrophobicContact CD1-CG2 4.32Å; L489-V540 HydrophobicContact CD2-CG2 3.75Å; L489-L543 HydrophobicContact CD1-CD1 3.68Å; L489-L543 HydrophobicContact CD1-CG 4.45Å
490L97.7Very high95.9Very high41 Ų4150.7 Ų50.722%0.21528%0.278CS..Hα-helixtrans-66.5-43.8-179-66.1176.8000111.3T486 A487 N492 T493 I536 R539T486-L490 WeakPolarHBondContact O-CG 3.39Å; T486-L490 PolarHBondContact O-N 3.33Å; A487-L490 PolarHBondContact O-N 3.45Å; L490-N492 VanDerWaalsContact C-N 3.28Å; L490-N492 PolarHBondContact O-N 3.15Å; L490-T493 PolarHBondContact O-N 2.92Å; L490-T493 PolarHBondContact O-OG1 3.41Å; L490-I536 HydrophobicContact CD2-CD1 4.11Å; L490-R539 HydrophobicContact CD2-CB 4.12Å; L490-R539 HydrophobicContact CD2-CG 3.75Å; L490-R539 PolarHBondContact O-NH2 2.99Å
491A97.2Very high96Very high68 Ų6850.5 Ų50.556%0.56228%0.278SS*.Hα-helixtrans-60.2-38.5177.800000112.2A487 T493A487-A491 WeakPolarHBondContact O-CB 3.46Å; A487-A491 PolarHBondContact O-N 3.5Å; A491-T493 VanDerWaalsContact C-N 3.33Å; A491-T493 PolarHBondContact O-N 3.01Å
492N97.6Very high96Very high11 Ų1153.2 Ų53.26%0.05929%0.293CS..Hα-helixtrans-82-7.2-177.5-156.542.7000114.9P488 L489 L490 P498 S499 K500 L509P488-N492 WeakPolarHBondContact O-CB 3.29Å; P488-N492 PolarHBondContact O-N 3.11Å; L489-N492 PolarHBondContact O-N 2.95Å; L490-N492 VanDerWaalsContact C-N 3.28Å; L490-N492 PolarHBondContact O-N 3.15Å; N492-P498 WeakPolarHBondContact O-CA 3.29Å; N492-S499 PolarHBondContact O-N 3.19Å; N492-S499 PolarHBondContact OD1-N 3.45Å; N492-K500 PolarHBondContact ND2-O 3.31Å; N492-K500 WeakPolarHBondContact OD1-CA 3.38Å; N492-K500 WeakPolarHBondContact OD1-CB 3.12Å; N492-K500 PolarHBondContact OD1-N 2.9Å; N492-K500 PolarHBondContact OD1-O 3.22Å; N492-L509 HydrophobicContact CB-CD1 4.09Å; N492-L509 VanDerWaalsContact ND2-CD1 3.26Å; N492-L509 WeakPolarHBondContact ND2-CD1 3.29Å
493T97.6Very high95.9Very high4 Ų458.6 Ų58.63%0.02532%0.316CS..THydrogen-bonded Turntrans-124.631.5-171.759.10000112.3L489 L490 A491 E495 R539 V542 L543L489-T493 HydrophobicContact CD1-CG2 4.07Å; L489-T493 WeakPolarHBondContact O-CB 3.36Å; L489-T493 VanDerWaalsContact O-CG2 3.23Å; L489-T493 WeakPolarHBondContact O-CG2 3.42Å; L489-T493 PolarHBondContact O-N 3.43Å; L489-T493 PolarHBondContact O-OG1 2.83Å; L490-T493 PolarHBondContact O-N 2.92Å; L490-T493 PolarHBondContact O-OG1 3.41Å; A491-T493 VanDerWaalsContact C-N 3.33Å; A491-T493 PolarHBondContact O-N 3.01Å; T493-E495 VanDerWaalsContact C-N 3.33Å; T493-R539 VanDerWaalsContact CG2-O 3.27Å; T493-R539 WeakPolarHBondContact CG2-O 3.28Å; T493-R539 PolarHBondContact O-NE 2.93Å; T493-R539 PolarHBondContact OG1-NE 3.37Å; T493-R539 VanDerWaalsContact OG1-NE 3.08Å; T493-V542 HydrophobicContact CG2-CB 4.02Å; T493-V542 HydrophobicContact CG2-CG1 4.21Å; T493-L543 HydrophobicContact CG2-CD2 3.74Å; T493-L543 HydrophobicContact CG2-CG 4.12Å
494T94.6Very high95.9Very high93 Ų9357.7 Ų57.757%0.57131%0.312SS*.SBendtrans-72.2-28177.349.80000112.7
495E93.5Very high95.9Very high133 Ų13357.7 Ų57.762%0.62131%0.312SS*.SBendtrans-108177.6177.9-60.4-173.4176.200111.7T493 K497 V542T493-E495 VanDerWaalsContact C-N 3.33Å; E495-K497 PolarHBondContact O-N 3.42Å; E495-K497 VanDerWaalsContact O-N 3.11Å; E495-V542 WeakPolarHBondContact O-CG1 3.44Å
496D91.7Very high95.8Very high150 Ų15057.7 Ų57.780%0.80231%0.313SS*.SBendtrans-69.8-2.1178.1-68.1-33.7000114.2
497K93.1Very high95.8Very high138 Ų13859.5 Ų59.560%0.632%0.321SS*.SBendtrans-140156.7176-67.6-176.5-178.61780109.8E495 S499 V542 A545E495-K497 PolarHBondContact O-N 3.42Å; E495-K497 VanDerWaalsContact O-N 3.11Å; K497-S499 PolarHBondContact O-N 3.37Å; K497-V542 VanDerWaalsContact C-CG1 3.45Å; K497-A545 HydrophobicContact CG-CB 4.23Å
498P95.4Very high95.8Very high17 Ų1758.1 Ų58.111%0.1131%0.307CS..  trans-58126.5175.1-20.231.2000111.2N492 D501 L543N492-P498 WeakPolarHBondContact O-CA 3.29Å; P498-D501 HydrophobicContact CB-CB 4.23Å; P498-L543 HydrophobicContact CB-CD2 4.33Å; P498-L543 HydrophobicContact CG-CD2 4.04Å
499S96.4Very high95.9Very high69 Ų6957 Ų5748%0.48330%0.299SS..SBendtrans-67-40.7-178.1-54.30000112.2N492 K497N492-S499 PolarHBondContact O-N 3.19Å; N492-S499 PolarHBondContact OD1-N 3.45Å; K497-S499 PolarHBondContact O-N 3.37Å
500K95.4Very high95.9Very high116 Ų11657.5 Ų57.550%0.50430%0.304SS..  trans-124.2110.1176.5-172.3178.4174.7-171.30108.1N492 D502 T505N492-K500 PolarHBondContact ND2-O 3.31Å; N492-K500 WeakPolarHBondContact OD1-CA 3.38Å; N492-K500 WeakPolarHBondContact OD1-CB 3.12Å; N492-K500 PolarHBondContact OD1-N 2.9Å; N492-K500 PolarHBondContact OD1-O 3.22Å; K500-D502 WeakPolarHBondContact CE-OD2 3.39Å; K500-D502 WeakPolarHBondContact CG-OD2 3.45Å; K500-D502 IonicContact NZ-OD2 4Å; K500-T505 HydrophobicContact CB-CG2 4.41Å; K500-T505 HydrophobicContact CD-CG2 4.5Å; K500-T505 WeakPolarHBondContact CD-OG1 3.33Å; K500-T505 WeakPolarHBondContact CE-OG1 3.3Å; K500-T505 HydrophobicContact CG-CG2 4.39Å
501D95.3Very high95.9Very high33 Ų3356.7 Ų56.718%0.17630%0.3CS..  trans-119.739-174.4-162.630.8000110.9P498 S546 K547 H548P498-D501 HydrophobicContact CB-CB 4.23Å; D501-S546 WeakPolarHBondContact OD1-CB 3.37Å; D501-S546 PolarHBondContact OD1-OG 3.05Å; D501-K547 WeakPolarHBondContact O-CD 3.18Å; D501-K547 WeakPolarHBondContact O-CE 3.33Å; D501-K547 PolarHBondContact O-NZ 3.37Å; D501-K547 WeakPolarHBondContact OD2-CB 3.26Å; D501-K547 WeakPolarHBondContact OD2-CG 3.5Å; D501-K547 PolarHBondContact OD2-N 2.91Å; D501-H548 PolarHBondContact O-NE2 2.64Å; D501-H548 VanDerWaalsContact O-NE2 3.1Å; D501-H548 IonicContact OD1-CD2 3.97Å; D501-H548 PolarHBondContact OD1-CD2 2.96Å
502D94.9Very high95.9Very high56 Ų5653.4 Ų53.430%0.29927%0.273SS..  trans-79.6170.216958.546.8000111.6K500 T505 A506 H548K500-D502 WeakPolarHBondContact CE-OD2 3.39Å; K500-D502 WeakPolarHBondContact CG-OD2 3.45Å; K500-D502 IonicContact NZ-OD2 4Å; D502-T505 WeakPolarHBondContact OD1-CB 3.12Å; D502-T505 PolarHBondContact OD1-N 2.98Å; D502-T505 PolarHBondContact OD1-OG1 3.27Å; D502-A506 VanDerWaalsContact O-CB 3.29Å; D502-A506 WeakPolarHBondContact O-CB 3.24Å; D502-A506 PolarHBondContact O-N 3.47Å; D502-A506 VanDerWaalsContact O-N 3.07Å; D502-H548 VanDerWaalsContact C-NE2 3.27Å; D502-H548 PolarHBondContact O-NE2 3.32Å; D502-H548 VanDerWaalsContact O-NE2 3.1Å
503F95Very high96Very high113 Ų11352.9 Ų52.950%0.49627%0.27SS..Hα-helixtrans-65.6-46-172.4-175.8-107.4000112.1A506 Q507 H548 F550F503-A506 WeakPolarHBondContact O-CB 3.44Å; F503-A506 PolarHBondContact O-N 3.47Å; F503-A506 VanDerWaalsContact O-N 3.15Å; F503-Q507 HydrophobicContact CD1-CG 4.35Å; F503-Q507 HydrophobicContact CE1-CG 4.05Å; F503-Q507 VanDerWaalsContact CE1-NE2 3.31Å; F503-Q507 HydrophobicContact CE2-CG 4.45Å; F503-Q507 HydrophobicContact CZ-CG 4.1Å; F503-Q507 WeakPolarHBondContact O-CG 3.27Å; F503-Q507 PolarHBondContact O-N 3.46Å; F503-H548 AromaticContact CD2-CE1 3.97Å; F503-F550 HydrophobicContact CD2-CE1 4.26Å; F503-F550 HydrophobicContact CD2-CZ 4.45Å; F503-F550 AromaticContact CE2-CE1 3.97Å; F503-F550 HydrophobicContact CE2-CE1 3.97Å; F503-F550 HydrophobicContact CE2-CZ 4.27Å
504Q94.5Very high96Very high76 Ų7656.4 Ų56.436%0.35529%0.286SS..Hα-helixtrans-62.4-46.6179.9-169.4-178.512.500112D437 L442 A506 Q507 L508D437-Q504 PolarHBondContact O-NE2 3.35Å; D437-Q504 VanDerWaalsContact O-NE2 3.17Å; L442-Q504 HydrophobicContact CD2-CG 4.16Å; L442-Q504 HydrophobicContact CG-CG 4.44Å; Q504-A506 VanDerWaalsContact C-N 3.26Å; Q504-A506 PolarHBondContact O-N 3.05Å; Q504-Q507 PolarHBondContact O-N 3.47Å; Q504-L508 PolarHBondContact O-N 2.79Å
505T95.6Very high96.2Very high21 Ų2152 Ų5213%0.12926%0.259CS..Hα-helixtrans-61.7-38.1175.7-52.10000110.7K500 D502 L508 L509K500-T505 HydrophobicContact CB-CG2 4.41Å; K500-T505 HydrophobicContact CD-CG2 4.5Å; K500-T505 WeakPolarHBondContact CD-OG1 3.33Å; K500-T505 WeakPolarHBondContact CE-OG1 3.3Å; K500-T505 HydrophobicContact CG-CG2 4.39Å; D502-T505 WeakPolarHBondContact OD1-CB 3.12Å; D502-T505 PolarHBondContact OD1-N 2.98Å; D502-T505 PolarHBondContact OD1-OG1 3.27Å; T505-L508 PolarHBondContact O-N 2.9Å; T505-L509 HydrophobicContact CG2-CD1 4.12Å; T505-L509 HydrophobicContact CG2-CG 4.41Å; T505-L509 WeakPolarHBondContact O-CB 3.49Å; T505-L509 VanDerWaalsContact O-CG 3.23Å; T505-L509 WeakPolarHBondContact O-CG 3.44Å; T505-L509 PolarHBondContact O-N 2.88Å
506A97Very high96.4Very high1 Ų145.7 Ų45.71%0.00823%0.23CC..Hα-helixtrans-67.8-37.6177.400000113.2D502 F503 Q504 A510 H548 F550 L551D502-A506 VanDerWaalsContact O-CB 3.29Å; D502-A506 WeakPolarHBondContact O-CB 3.24Å; D502-A506 PolarHBondContact O-N 3.47Å; D502-A506 VanDerWaalsContact O-N 3.07Å; F503-A506 WeakPolarHBondContact O-CB 3.44Å; F503-A506 PolarHBondContact O-N 3.47Å; F503-A506 VanDerWaalsContact O-N 3.15Å; Q504-A506 VanDerWaalsContact C-N 3.26Å; Q504-A506 PolarHBondContact O-N 3.05Å; A506-A510 WeakPolarHBondContact O-CB 3.26Å; A506-A510 PolarHBondContact O-N 3Å; A506-H548 HydrophobicContact CB-CB 4.17Å; A506-H548 WeakPolarHBondContact CB-CD2 3.47Å; A506-F550 HydrophobicContact CB-CE2 4.24Å; A506-F550 HydrophobicContact CB-CZ 3.77Å; A506-L551 HydrophobicContact CB-CB 4.41Å; A506-L551 HydrophobicContact CB-CD2 3.88Å
507Q96.9Very high96.7Very high37 Ų3738.8 Ų38.817%0.17319%0.193CC..Hα-helixtrans-65.4-47.5173.4-69.8170.6-68.400111.3L442 F503 Q504 L509 A510 L511 F550L442-Q507 HydrophobicContact CD1-CB 3.57Å; F503-Q507 HydrophobicContact CD1-CG 4.35Å; F503-Q507 HydrophobicContact CE1-CG 4.05Å; F503-Q507 VanDerWaalsContact CE1-NE2 3.31Å; F503-Q507 HydrophobicContact CE2-CG 4.45Å; F503-Q507 HydrophobicContact CZ-CG 4.1Å; F503-Q507 WeakPolarHBondContact O-CG 3.27Å; F503-Q507 PolarHBondContact O-N 3.46Å; Q504-Q507 PolarHBondContact O-N 3.47Å; Q507-L509 VanDerWaalsContact C-N 3.33Å; Q507-L509 PolarHBondContact O-N 2.69Å; Q507-A510 WeakPolarHBondContact O-CA 3.41Å; Q507-A510 WeakPolarHBondContact O-CB 3.29Å; Q507-A510 PolarHBondContact O-N 3.44Å; Q507-L511 PolarHBondContact O-N 3.26Å; Q507-F550 HydrophobicContact CG-CZ 4.25Å
508L97.6Very high97Very high18 Ų1832.8 Ų32.89%0.09417%0.167CC..Hα-helixtrans-57.1-46.8176.8174.162.7000111.5I435 L442 P488 Q504 T505 A510 L511 V512I435-L508 HydrophobicContact CG1-CD1 4.45Å; I435-L508 HydrophobicContact CG2-CD2 4.23Å; L442-L508 HydrophobicContact CD1-CB 4.04Å; P488-L508 HydrophobicContact CB-CD2 4.25Å; Q504-L508 PolarHBondContact O-N 2.79Å; T505-L508 PolarHBondContact O-N 2.9Å; L508-A510 VanDerWaalsContact C-N 3.29Å; L508-A510 PolarHBondContact O-N 3.48Å; L508-L511 WeakPolarHBondContact O-CB 3.45Å; L508-L511 PolarHBondContact O-N 3.44Å; L508-V512 WeakPolarHBondContact O-CG2 3.5Å; L508-V512 PolarHBondContact O-N 2.87Å
509L98.2Very high97.1Very high1 Ų132 Ų321%0.00516%0.162CC..Hα-helixtrans-65.3-33177.4-68.5178.4000112.4P488 L489 N492 T505 Q507 V512 L513 L543 L551P488-L509 HydrophobicContact CB-CD2 4.39Å; L489-L509 VanDerWaalsContact CA-CD2 3.49Å; L489-L509 HydrophobicContact CB-CD2 4Å; L489-L509 HydrophobicContact CD1-CD2 4.43Å; N492-L509 HydrophobicContact CB-CD1 4.09Å; N492-L509 VanDerWaalsContact ND2-CD1 3.26Å; N492-L509 WeakPolarHBondContact ND2-CD1 3.29Å; T505-L509 HydrophobicContact CG2-CD1 4.12Å; T505-L509 HydrophobicContact CG2-CG 4.41Å; T505-L509 WeakPolarHBondContact O-CB 3.49Å; T505-L509 VanDerWaalsContact O-CG 3.23Å; T505-L509 WeakPolarHBondContact O-CG 3.44Å; T505-L509 PolarHBondContact O-N 2.88Å; Q507-L509 VanDerWaalsContact C-N 3.33Å; Q507-L509 PolarHBondContact O-N 2.69Å; L509-V512 PolarHBondContact O-N 3.06Å; L509-L513 WeakPolarHBondContact O-CB 3.39Å; L509-L513 VanDerWaalsContact O-CG 3.22Å; L509-L513 WeakPolarHBondContact O-CG 3.46Å; L509-L513 PolarHBondContact O-N 2.85Å; L509-L543 HydrophobicContact CD1-CD2 4.04Å; L509-L551 HydrophobicContact CB-CD1 3.77Å; L509-L551 HydrophobicContact CB-CD2 4.47Å; L509-L551 HydrophobicContact CD1-CD2 4.42Å
510A98Very high97.2Very high12 Ų1228.8 Ų28.810%0.09914%0.139CC..Hα-helixtrans-64.4-41.1173.700000111.6A506 Q507 L508 L513 E514 F550 L551A506-A510 WeakPolarHBondContact O-CB 3.26Å; A506-A510 PolarHBondContact O-N 3Å; Q507-A510 WeakPolarHBondContact O-CA 3.41Å; Q507-A510 WeakPolarHBondContact O-CB 3.29Å; Q507-A510 PolarHBondContact O-N 3.44Å; L508-A510 VanDerWaalsContact C-N 3.29Å; L508-A510 PolarHBondContact O-N 3.48Å; A510-L513 PolarHBondContact O-N 3.17Å; A510-E514 WeakPolarHBondContact O-CB 3.32Å; A510-E514 PolarHBondContact O-N 3.25Å; A510-F550 HydrophobicContact CB-CD2 4.22Å; A510-F550 HydrophobicContact CB-CE2 4.08Å; A510-L551 HydrophobicContact CB-CD1 4.3Å
511L98Very high97.3Very high23 Ų2327.2 Ų27.212%0.1213%0.134CC..Hα-helixtrans-61.1-50.3173.5-64.1175.4000111.2L442 A445 V446 M449 Q507 L508 L513 E514 L515L442-L511 HydrophobicContact CD1-CD1 4.36Å; A445-L511 HydrophobicContact CB-CD1 4.05Å; V446-L511 HydrophobicContact CG2-CD1 4.16Å; V446-L511 HydrophobicContact CG2-CD2 4.01Å; M449-L511 VanDerWaalsContact CE-O 3.31Å; M449-L511 WeakPolarHBondContact CE-O 3.48Å; M449-L511 HydrophobicContact CG-CB 4.41Å; M449-L511 HydrophobicContact CG-CD2 4.36Å; Q507-L511 PolarHBondContact O-N 3.26Å; L508-L511 WeakPolarHBondContact O-CB 3.45Å; L508-L511 PolarHBondContact O-N 3.44Å; L511-L513 VanDerWaalsContact C-N 3.29Å; L511-L513 PolarHBondContact O-N 3.36Å; L511-E514 WeakPolarHBondContact O-CB 3.41Å; L511-E514 PolarHBondContact O-N 2.93Å; L511-L515 PolarHBondContact O-N 3.42Å; L511-L515 VanDerWaalsContact O-N 3.08Å
512V98.4Very high97.3Very high0 Ų028.5 Ų28.50%014%0.138CC..Hα-helixtrans-57.2-43.8177173.80000111.2M434 L485 P488 L489 L508 L509 E514 L515 L516M434-V512 HydrophobicContact CE-CG2 4.33Å; L485-V512 HydrophobicContact CD1-CG2 4.31Å; L485-V512 HydrophobicContact CG-CG1 4.5Å; P488-V512 HydrophobicContact CG-CG2 4.33Å; L489-V512 HydrophobicContact CB-CG1 4.49Å; L508-V512 WeakPolarHBondContact O-CG2 3.5Å; L508-V512 PolarHBondContact O-N 2.87Å; L509-V512 PolarHBondContact O-N 3.06Å; V512-E514 VanDerWaalsContact C-N 3.32Å; V512-E514 PolarHBondContact O-N 3.22Å; V512-L515 PolarHBondContact O-N 2.99Å; V512-L516 HydrophobicContact CG1-CD1 4.07Å; V512-L516 HydrophobicContact CG1-CG 4.42Å; V512-L516 VanDerWaalsContact O-CG 3.31Å; V512-L516 WeakPolarHBondContact O-CG 3.34Å; V512-L516 PolarHBondContact O-N 3.38Å
513L98.6Very high97.4Very high0 Ų025.8 Ų25.80%012%0.124CC..Hα-helixtrans-66.3-32.4177.3-73.6-178.8000113.2L509 A510 L511 L516 T517 V540 L543 L551 C554 A555L509-L513 WeakPolarHBondContact O-CB 3.39Å; L509-L513 VanDerWaalsContact O-CG 3.22Å; L509-L513 WeakPolarHBondContact O-CG 3.46Å; L509-L513 PolarHBondContact O-N 2.85Å; A510-L513 PolarHBondContact O-N 3.17Å; L511-L513 VanDerWaalsContact C-N 3.29Å; L511-L513 PolarHBondContact O-N 3.36Å; L513-L516 HydrophobicContact CD2-CD1 4.42Å; L513-T517 VanDerWaalsContact O-CB 3.31Å; L513-T517 WeakPolarHBondContact O-CB 3.42Å; L513-T517 PolarHBondContact O-N 3.41Å; L513-T517 PolarHBondContact O-OG1 3.31Å; L513-V540 HydrophobicContact CD1-CG1 4.37Å; L513-V540 HydrophobicContact CD2-CB 4.19Å; L513-V540 HydrophobicContact CD2-CG1 3.6Å; L513-V540 HydrophobicContact CD2-CG2 3.53Å; L513-L543 HydrophobicContact CD1-CD1 3.82Å; L513-L543 HydrophobicContact CG-CD1 4.49Å; L513-L551 HydrophobicContact CD1-CD1 4.04Å; L513-C554 HydrophobicContact CB-CB 4.24Å; L513-C554 HydrophobicContact CD1-CB 3.73Å; L513-A555 HydrophobicContact CD1-CB 4.34Å
514E98Very high97.4Very high78 Ų7823.7 Ų23.736%0.36412%0.121SC..Hα-helixtrans-64.3-44.9174.1-173.7164.5166.100111M449 A510 L511 V512 L516 T517 F518 R557M449-E514 HydrophobicContact CE-CB 4.12Å; M449-E514 HydrophobicContact CE-CG 4.35Å; A510-E514 WeakPolarHBondContact O-CB 3.32Å; A510-E514 PolarHBondContact O-N 3.25Å; L511-E514 WeakPolarHBondContact O-CB 3.41Å; L511-E514 PolarHBondContact O-N 2.93Å; V512-E514 VanDerWaalsContact C-N 3.32Å; V512-E514 PolarHBondContact O-N 3.22Å; E514-L516 PolarHBondContact O-N 2.91Å; E514-T517 PolarHBondContact O-N 3.08Å; E514-F518 PolarHBondContact O-N 3Å; E514-R557 IonicContact OE2-NH2 3.94Å
515L98.3Very high97.4Very high0 Ų020.8 Ų20.80%011%0.106CC..Hα-helixtrans-64.7-43.6177.1-161.145.4000111.2M449 L452 R453 V456 L485 L511 V512 T517 F518 C519M449-L515 HydrophobicContact CE-CB 3.31Å; M449-L515 HydrophobicContact CE-CD1 3.96Å; M449-L515 HydrophobicContact CE-CD2 4.33Å; M449-L515 HydrophobicContact CE-CG 4.02Å; M449-L515 VanDerWaalsContact CE-N 3.27Å; M449-L515 HydrophobicContact SD-CB 3.73Å; M449-L515 HydrophobicContact SD-CD1 4.35Å; M449-L515 HydrophobicContact SD-CD2 3.78Å; M449-L515 HydrophobicContact SD-CG 4.15Å; L452-L515 HydrophobicContact CB-CD2 4.19Å; R453-L515 HydrophobicContact CB-CD1 4.11Å; V456-L515 HydrophobicContact CG2-CD1 4.05Å; L485-L515 HydrophobicContact CD1-CD2 4.07Å; L485-L515 HydrophobicContact CD2-CB 4.48Å; L485-L515 HydrophobicContact CD2-CD2 3.59Å; L485-L515 HydrophobicContact CD2-CG 4.15Å; L485-L515 HydrophobicContact CG-CD2 4.49Å; L511-L515 PolarHBondContact O-N 3.42Å; L511-L515 VanDerWaalsContact O-N 3.08Å; V512-L515 PolarHBondContact O-N 2.99Å; L515-T517 VanDerWaalsContact C-N 3.3Å; L515-T517 PolarHBondContact O-N 3.43Å; L515-F518 HydrophobicContact CD1-CD1 4.41Å; L515-F518 WeakPolarHBondContact O-CB 3.3Å; L515-F518 PolarHBondContact O-N 2.75Å; L515-C519 PolarHBondContact O-N 3.3Å; L515-C519 PolarHBondContact O-SG 3.39Å
516L98.6Very high97.4Very high0 Ų020 Ų200%010%0.101CC..Hα-helixtrans-63.4-38.1176.9-70.7176.5000111.7M482 T486 L489 V512 L513 E514 C519 V520 I527 I536 F558M482-L516 HydrophobicContact CE-CD2 4.43Å; M482-L516 HydrophobicContact SD-CD2 3.8Å; T486-L516 HydrophobicContact CG2-CD1 4.06Å; T486-L516 HydrophobicContact CG2-CD2 3.89Å; T486-L516 HydrophobicContact CG2-CG 4.44Å; L489-L516 HydrophobicContact CD2-CD1 3.94Å; V512-L516 HydrophobicContact CG1-CD1 4.07Å; V512-L516 HydrophobicContact CG1-CG 4.42Å; V512-L516 VanDerWaalsContact O-CG 3.31Å; V512-L516 WeakPolarHBondContact O-CG 3.34Å; V512-L516 PolarHBondContact O-N 3.38Å; L513-L516 HydrophobicContact CD2-CD1 4.42Å; E514-L516 PolarHBondContact O-N 2.91Å; L516-C519 WeakPolarHBondContact O-CB 3.15Å; L516-C519 PolarHBondContact O-N 2.79Å; L516-V520 WeakPolarHBondContact O-CG2 3.07Å; L516-V520 PolarHBondContact O-N 3.15Å; L516-I527 HydrophobicContact CD2-CD1 4.4Å; L516-I536 HydrophobicContact CD1-CG2 4.39Å; L516-F558 HydrophobicContact CB-CD2 4.18Å; L516-F558 HydrophobicContact CB-CE2 3.69Å; L516-F558 HydrophobicContact CB-CZ 4.46Å
517T98.6Very high97.5Very high6 Ų620 Ų204%0.03710%0.101CC..Hα-helixtrans-64.3-44175.6-57.70000110.6L513 E514 L515 C519 V520 E521 K561L513-T517 VanDerWaalsContact O-CB 3.31Å; L513-T517 WeakPolarHBondContact O-CB 3.42Å; L513-T517 PolarHBondContact O-N 3.41Å; L513-T517 PolarHBondContact O-OG1 3.31Å; E514-T517 PolarHBondContact O-N 3.08Å; L515-T517 VanDerWaalsContact C-N 3.3Å; L515-T517 PolarHBondContact O-N 3.43Å; T517-C519 VanDerWaalsContact C-N 3.35Å; T517-C519 PolarHBondContact O-N 2.81Å; T517-V520 WeakPolarHBondContact O-CB 3.17Å; T517-V520 PolarHBondContact O-N 2.69Å; T517-E521 PolarHBondContact O-N 3.21Å; T517-K561 HydrophobicContact CG2-CB 4.05Å; T517-K561 HydrophobicContact CG2-CG 4.1Å
518F98.5Very high97.6Very high12 Ų1219.2 Ų19.25%0.05310%0.097CC..Hα-helixtrans-57.2-47.6171.9173.5-89.9000111.3R453 V456 D457 E514 L515 V520 E521 H522 H523R453-F518 HydrophobicContact CG-CD2 4.47Å; R453-F518 HydrophobicContact CG-CE2 4.48Å; V456-F518 HydrophobicContact CG2-CD1 4.31Å; V456-F518 HydrophobicContact CG2-CE1 4.03Å; D457-F518 HydrophobicContact CB-CE1 4.42Å; D457-F518 HydrophobicContact CB-CZ 3.82Å; E514-F518 PolarHBondContact O-N 3Å; L515-F518 HydrophobicContact CD1-CD1 4.41Å; L515-F518 WeakPolarHBondContact O-CB 3.3Å; L515-F518 PolarHBondContact O-N 2.75Å; F518-V520 VanDerWaalsContact C-N 3.28Å; F518-V520 PolarHBondContact O-N 3.12Å; F518-E521 WeakPolarHBondContact O-CB 3.42Å; F518-E521 PolarHBondContact O-N 3.02Å; F518-H522 AromaticContact CD2-CD2 3.47Å; F518-H522 VanDerWaalsContact CD2-CD2 3.47Å; F518-H522 WeakPolarHBondContact CD2-CD2 3.3Å; F518-H522 AromaticContact CD2-NE2 3.85Å; F518-H522 HydrophobicContact CE1-CB 4.36Å; F518-H522 AromaticContact CE2-CD2 3.23Å; F518-H522 WeakPolarHBondContact CE2-CD2 3.38Å; F518-H522 AromaticContact CE2-NE2 3.55Å; F518-H522 HydrophobicContact CZ-CB 4.25Å; F518-H522 AromaticContact CZ-CD2 3.58Å; F518-H522 AromaticContact CZ-CG 3.96Å; F518-H522 PolarHBondContact O-CD2 3.46Å; F518-H522 VanDerWaalsContact O-CD2 3.26Å; F518-H522 PolarHBondContact O-N 3.4Å; F518-H522 VanDerWaalsContact O-N 3.17Å; F518-H523 AromaticContact CE1-NE2 3.88Å
519C98.4Very high97.5Very high0 Ų019.3 Ų19.30%010%0.098CC..Hα-helixtrans-57.9-40177.7-65.80000112.1L515 L516 T517 E521 H522 H523 I527L515-C519 PolarHBondContact O-N 3.3Å; L515-C519 PolarHBondContact O-SG 3.39Å; L516-C519 WeakPolarHBondContact O-CB 3.15Å; L516-C519 PolarHBondContact O-N 2.79Å; T517-C519 VanDerWaalsContact C-N 3.35Å; T517-C519 PolarHBondContact O-N 2.81Å; C519-E521 PolarHBondContact O-N 3.23Å; C519-H522 PolarHBondContact O-N 3.33Å; C519-H523 WeakPolarHBondContact O-CB 3.38Å; C519-H523 PolarHBondContact O-N 3.45Å; C519-H523 PolarHBondContact SG-CE1 2.62Å; C519-H523 PolarHBondContact SG-ND1 3.05Å; C519-H523 VanDerWaalsContact SG-ND1 3.45Å; C519-I527 HydrophobicContact CB-CB 4.3Å; C519-I527 HydrophobicContact CB-CD1 3.81Å; C519-I527 HydrophobicContact CB-CG1 3.88Å; C519-I527 WeakPolarHBondContact O-CG2 3.28Å
520V98.4Very high97.5Very high2 Ų220.3 Ų20.31%0.01210%0.102CC..Hα-helixtrans-58.6-33.6176.5169.50000111.7L516 T517 F518 I527 I531 F558 K561 I562 L565L516-V520 WeakPolarHBondContact O-CG2 3.07Å; L516-V520 PolarHBondContact O-N 3.15Å; T517-V520 WeakPolarHBondContact O-CB 3.17Å; T517-V520 PolarHBondContact O-N 2.69Å; F518-V520 VanDerWaalsContact C-N 3.28Å; F518-V520 PolarHBondContact O-N 3.12Å; V520-I527 HydrophobicContact CG2-CG1 3.83Å; V520-I531 HydrophobicContact CG2-CD1 3.57Å; V520-F558 HydrophobicContact CG2-CD2 4.31Å; V520-F558 HydrophobicContact CG2-CE2 3.57Å; V520-F558 HydrophobicContact CG2-CZ 4.15Å; V520-K561 HydrophobicContact CB-CG 4.38Å; V520-K561 HydrophobicContact CG1-CB 4.29Å; V520-K561 HydrophobicContact CG1-CG 3.84Å; V520-I562 HydrophobicContact CG1-CG1 3.87Å; V520-I562 HydrophobicContact CG2-CG1 4.04Å; V520-L565 HydrophobicContact CG1-CD1 3.76Å; V520-L565 HydrophobicContact CG1-CG 4.43Å
521E96Very high97.5Very high82 Ų8219.7 Ų19.738%0.38310%0.097SC..Hα-helixtrans-76.3-37.9179.6-70176.4-13100113.1T517 F518 C519 K561T517-E521 PolarHBondContact O-N 3.21Å; F518-E521 WeakPolarHBondContact O-CB 3.42Å; F518-E521 PolarHBondContact O-N 3.02Å; C519-E521 PolarHBondContact O-N 3.23Å; E521-K561 HydrophobicContact CG-CD 3.46Å; E521-K561 VanDerWaalsContact CG-CD 3.46Å; E521-K561 HydrophobicContact CG-CG 3.7Å; E521-K561 WeakPolarHBondContact OE1-CD 3.17Å; E521-K561 WeakPolarHBondContact OE1-CE 3.47Å; E521-K561 IonicContact OE1-NZ 3.24Å; E521-K561 PolarHBondContact OE1-NZ 3.42Å; E521-K561 IonicContact OE2-NZ 3.96Å; E521-K561 PolarHBondContact OE2-NZ 3.21Å
522H95.8Very high97.5Very high60 Ų6021.1 Ų21.128%0.27810%0.104SC..Hα-helixtrans-116-21.5-162.4-63.2-77.8000114.7P458 F518 C519P458-H522 HydrophobicContact CG-CB 4Å; F518-H522 AromaticContact CD2-CD2 3.47Å; F518-H522 VanDerWaalsContact CD2-CD2 3.47Å; F518-H522 WeakPolarHBondContact CD2-CD2 3.3Å; F518-H522 AromaticContact CD2-NE2 3.85Å; F518-H522 HydrophobicContact CE1-CB 4.36Å; F518-H522 AromaticContact CE2-CD2 3.23Å; F518-H522 WeakPolarHBondContact CE2-CD2 3.38Å; F518-H522 AromaticContact CE2-NE2 3.55Å; F518-H522 HydrophobicContact CZ-CB 4.25Å; F518-H522 AromaticContact CZ-CD2 3.58Å; F518-H522 AromaticContact CZ-CG 3.96Å; F518-H522 PolarHBondContact O-CD2 3.46Å; F518-H522 VanDerWaalsContact O-CD2 3.26Å; F518-H522 PolarHBondContact O-N 3.4Å; F518-H522 VanDerWaalsContact O-N 3.17Å; C519-H522 PolarHBondContact O-N 3.33Å
523H96.6Very high97.4Very high0 Ų026.9 Ų26.90%014%0.135CC..  trans-99.36-170.4-59.9178.9000114.6V456 L474 Y478 F518 C519 Y525 H526 I527V456-H523 PolarHBondContact O-NE2 3.41Å; L474-H523 HydrophobicContact CD1-CB 4.5Å; Y478-H523 HydrophobicContact CE2-CB 4.32Å; Y478-H523 AromaticContact CE2-ND1 3.51Å; Y478-H523 AromaticContact CZ-ND1 3.69Å; Y478-H523 PolarHBondContact OH-ND1 3.45Å; F518-H523 AromaticContact CE1-NE2 3.88Å; C519-H523 WeakPolarHBondContact O-CB 3.38Å; C519-H523 PolarHBondContact O-N 3.45Å; C519-H523 PolarHBondContact SG-CE1 2.62Å; C519-H523 PolarHBondContact SG-ND1 3.05Å; C519-H523 VanDerWaalsContact SG-ND1 3.45Å; H523-Y525 PolarHBondContact O-N 3.3Å; H523-Y525 VanDerWaalsContact O-N 3.16Å; H523-H526 PolarHBondContact O-N 2.72Å; H523-I527 HydrophobicContact CB-CB 4.14Å; H523-I527 HydrophobicContact CB-CG2 4.14Å
524T94.6Very high97.3Very high69 Ų6932.6 Ų32.642%0.42316%0.16SC..THydrogen-bonded Turntrans52.5-116169.760.80000114I527T524-I527 VanDerWaalsContact O-CG2 3.32Å; T524-I527 WeakPolarHBondContact O-CG2 3.47Å
525Y95Very high97.3Very high14 Ų1430.5 Ų30.56%0.05515%0.151CC..Hα-helixtrans-74-31.5-176.464.8-91.1000113.8H523 I527 K528 N529 E679 W682H523-Y525 PolarHBondContact O-N 3.3Å; H523-Y525 VanDerWaalsContact O-N 3.16Å; Y525-I527 PolarHBondContact O-N 2.74Å; Y525-K528 PolarHBondContact O-N 3.09Å; Y525-N529 WeakPolarHBondContact O-CB 3.48Å; Y525-N529 VanDerWaalsContact O-CG 3.29Å; Y525-N529 PolarHBondContact O-N 3.24Å; Y525-N529 PolarHBondContact O-ND2 3.05Å; Y525-E679 HydrophobicContact CD1-CG 3.75Å; Y525-E679 HydrophobicContact CE1-CG 4.15Å; Y525-E679 HydrophobicContact CG-CG 4.41Å; Y525-W682 HydrophobicContact CD2-CD2 4.01Å; Y525-W682 HydrophobicContact CD2-CE3 4.09Å; Y525-W682 HydrophobicContact CD2-CG 4.29Å; Y525-W682 HydrophobicContact CE2-CB 4Å; Y525-W682 AromaticContact CE2-CD1 3.84Å; Y525-W682 AromaticContact CE2-CD2 3.62Å; Y525-W682 HydrophobicContact CE2-CD2 3.62Å; Y525-W682 AromaticContact CE2-CE2 3.97Å; Y525-W682 HydrophobicContact CE2-CE3 4.18Å; Y525-W682 AromaticContact CE2-CG 3.54Å; Y525-W682 HydrophobicContact CE2-CG 3.54Å
526H96.8Very high97.3Very high5 Ų530.5 Ų30.52%0.02315%0.151CC..Hα-helixtrans-58.5-51.5-178.5-59.9-75000111.8Y478 H523 K528 Y530Y478-H526 HydrophobicContact CD1-CB 4.4Å; Y478-H526 HydrophobicContact CD2-CB 3.73Å; Y478-H526 HydrophobicContact CE1-CB 4.33Å; Y478-H526 HydrophobicContact CE2-CB 3.63Å; Y478-H526 HydrophobicContact CG-CB 4.12Å; H523-H526 PolarHBondContact O-N 2.72Å; H526-K528 VanDerWaalsContact C-N 3.35Å; H526-K528 PolarHBondContact O-N 3.35Å; H526-Y530 WeakPolarHBondContact O-CB 3.48Å; H526-Y530 PolarHBondContact O-N 3.47Å; H526-Y530 VanDerWaalsContact O-N 3.11Å
527I98.1Very high97.3Very high1 Ų130.5 Ų30.51%0.00515%0.151CC..Hα-helixtrans-66.6-36.6177.5-170.655.1000112.2Y478 L516 C519 V520 H523 T524 Y525 Y530 I531Y478-I527 HydrophobicContact CE1-CB 4.32Å; Y478-I527 HydrophobicContact CE1-CD1 4.08Å; Y478-I527 VanDerWaalsContact OH-CB 3.26Å; Y478-I527 WeakPolarHBondContact OH-CB 3.42Å; Y478-I527 WeakPolarHBondContact OH-CD1 3.45Å; L516-I527 HydrophobicContact CD2-CD1 4.4Å; C519-I527 HydrophobicContact CB-CB 4.3Å; C519-I527 HydrophobicContact CB-CD1 3.81Å; C519-I527 HydrophobicContact CB-CG1 3.88Å; C519-I527 WeakPolarHBondContact O-CG2 3.28Å; V520-I527 HydrophobicContact CG2-CG1 3.83Å; H523-I527 HydrophobicContact CB-CB 4.14Å; H523-I527 HydrophobicContact CB-CG2 4.14Å; T524-I527 VanDerWaalsContact O-CG2 3.32Å; T524-I527 WeakPolarHBondContact O-CG2 3.47Å; Y525-I527 PolarHBondContact O-N 2.74Å; I527-Y530 PolarHBondContact O-N 3.46Å; I527-I531 HydrophobicContact CD1-CD1 3.95Å; I527-I531 HydrophobicContact CD1-CG1 4Å; I527-I531 HydrophobicContact CG1-CD1 3.68Å; I527-I531 HydrophobicContact CG1-CG1 4.19Å; I527-I531 WeakPolarHBondContact O-CB 3.26Å; I527-I531 VanDerWaalsContact O-CG1 3.29Å; I527-I531 WeakPolarHBondContact O-CG1 3.5Å; I527-I531 PolarHBondContact O-N 3.25Å
528K98.1Very high97.2Very high20 Ų2035.6 Ų35.69%0.08717%0.17CC..Hα-helixtrans-61.9-50179.2179.3170.260.7-177.20111.4Y525 H526 Y530 I531 I532 D567 F569 Y570Y525-K528 PolarHBondContact O-N 3.09Å; H526-K528 VanDerWaalsContact C-N 3.35Å; H526-K528 PolarHBondContact O-N 3.35Å; K528-Y530 VanDerWaalsContact C-N 3.31Å; K528-Y530 PolarHBondContact O-N 3.28Å; K528-I531 PolarHBondContact O-N 3.25Å; K528-I532 HydrophobicContact CG-CD1 3.86Å; K528-I532 WeakPolarHBondContact O-CG1 3.42Å; K528-I532 PolarHBondContact O-N 3.23Å; K528-D567 WeakPolarHBondContact CD-OD2 3.44Å; K528-D567 IonicContact NZ-OD2 3.23Å; K528-D567 PolarHBondContact NZ-OD2 3.08Å; K528-F569 HydrophobicContact CD-CB 4.38Å; K528-Y570 WeakPolarHBondContact CA-OH 3.46Å; K528-Y570 HydrophobicContact CB-CE1 4.3Å; K528-Y570 HydrophobicContact CB-CE2 4.14Å; K528-Y570 WeakPolarHBondContact CB-OH 3.46Å; K528-Y570 HydrophobicContact CD-CD2 4.43Å; K528-Y570 HydrophobicContact CD-CE2 4.1Å; K528-Y570 HydrophobicContact CG-CE1 4.01Å; K528-Y570 HydrophobicContact CG-CE2 3.99Å; K528-Y570 PolarHBondContact N-OH 2.96Å
529N96.6Very high97.2Very high20 Ų2038.3 Ų38.311%0.10718%0.179CC..Hα-helixtrans-63-41.7178.6-67.9-18.7000110.5Y525 N533 W682Y525-N529 WeakPolarHBondContact O-CB 3.48Å; Y525-N529 VanDerWaalsContact O-CG 3.29Å; Y525-N529 PolarHBondContact O-N 3.24Å; Y525-N529 PolarHBondContact O-ND2 3.05Å; N529-N533 WeakPolarHBondContact O-CB 3.34Å; N529-N533 PolarHBondContact O-N 3.23Å; N529-N533 PolarHBondContact O-ND2 3.42Å; N529-W682 HydrophobicContact CB-CH2 4.37Å; N529-W682 HydrophobicContact CB-CZ3 4.23Å; N529-W682 WeakPolarHBondContact ND2-CZ3 3.12Å
530Y98.2Very high97.2Very high22 Ų2238.3 Ų38.39%0.08618%0.179CC..Hα-helixtrans-61.9-48.8176.3-166.9-97.4000112.8Y478 M482 H483 T486 H526 I527 K528 I532 K534 I536Y478-Y530 HydrophobicContact CD1-CD2 4.1Å; Y478-Y530 HydrophobicContact CD1-CG 4.03Å; Y478-Y530 HydrophobicContact CE1-CG 4.16Å; M482-Y530 HydrophobicContact CB-CE2 4.14Å; M482-Y530 HydrophobicContact CG-CD1 3.78Å; M482-Y530 HydrophobicContact CG-CD2 3.93Å; M482-Y530 HydrophobicContact CG-CE1 3.49Å; M482-Y530 VanDerWaalsContact CG-CE1 3.49Å; M482-Y530 HydrophobicContact CG-CE2 3.65Å; M482-Y530 HydrophobicContact CG-CG 4Å; M482-Y530 VanDerWaalsContact CG-CZ 3.44Å; M482-Y530 PolarHBondContact O-OH 3.33Å; M482-Y530 HydrophobicContact SD-CE1 4.35Å; H483-Y530 WeakPolarHBondContact CA-OH 3.36Å; T486-Y530 HydrophobicContact CG2-CE1 4.06Å; T486-Y530 PolarHBondContact OG1-OH 2.76Å; H526-Y530 WeakPolarHBondContact O-CB 3.48Å; H526-Y530 PolarHBondContact O-N 3.47Å; H526-Y530 VanDerWaalsContact O-N 3.11Å; I527-Y530 PolarHBondContact O-N 3.46Å; K528-Y530 VanDerWaalsContact C-N 3.31Å; K528-Y530 PolarHBondContact O-N 3.28Å; Y530-I532 PolarHBondContact O-N 3.22Å; Y530-K534 HydrophobicContact CD2-CG 4.2Å; Y530-K534 HydrophobicContact CE1-CG 4.43Å; Y530-K534 HydrophobicContact CE2-CG 3.89Å; Y530-K534 WeakPolarHBondContact O-CB 3.39Å; Y530-K534 PolarHBondContact O-N 2.9Å; Y530-I536 HydrophobicContact CD1-CD1 4.33Å; Y530-I536 HydrophobicContact CD1-CG1 3.87Å; Y530-I536 HydrophobicContact CE1-CD1 3.73Å; Y530-I536 HydrophobicContact CE1-CG1 3.8Å
531I98.4Very high97.3Very high0 Ų038.3 Ų38.30%018%0.179CC..Hα-helixtrans-60.2-45.8-179.6-73.1170.6000111.3V520 I527 K528 D535 I536 L537 F558 I562 Y570 Y573V520-I531 HydrophobicContact CG2-CD1 3.57Å; I527-I531 HydrophobicContact CD1-CD1 3.95Å; I527-I531 HydrophobicContact CD1-CG1 4Å; I527-I531 HydrophobicContact CG1-CD1 3.68Å; I527-I531 HydrophobicContact CG1-CG1 4.19Å; I527-I531 WeakPolarHBondContact O-CB 3.26Å; I527-I531 VanDerWaalsContact O-CG1 3.29Å; I527-I531 WeakPolarHBondContact O-CG1 3.5Å; I527-I531 PolarHBondContact O-N 3.25Å; K528-I531 PolarHBondContact O-N 3.25Å; I531-D535 CarbonylContact O-C 3.54Å; I531-D535 WeakPolarHBondContact O-CA 3.43Å; I531-D535 PolarHBondContact O-N 3.4Å; I531-D535 VanDerWaalsContact O-N 3.12Å; I531-I536 HydrophobicContact CB-CB 4.43Å; I531-I536 HydrophobicContact CG1-CB 4.22Å; I531-I536 HydrophobicContact CG2-CB 4.44Å; I531-I536 PolarHBondContact O-N 2.95Å; I531-L537 HydrophobicContact CG2-CB 4.2Å; I531-F558 HydrophobicContact CD1-CE2 4.26Å; I531-F558 HydrophobicContact CD1-CZ 3.62Å; I531-F558 HydrophobicContact CG1-CZ 4.15Å; I531-I562 HydrophobicContact CD1-CD1 4.02Å; I531-I562 HydrophobicContact CD1-CG1 4.47Å; I531-I562 HydrophobicContact CG2-CD1 4.45Å; I531-Y570 HydrophobicContact CB-CE1 4.2Å; I531-Y570 HydrophobicContact CD1-CE1 4.22Å; I531-Y570 HydrophobicContact CG2-CE1 4.01Å; I531-Y573 HydrophobicContact CG2-CE1 4.02Å
532I97.6Very high97.4Very high53 Ų5335.4 Ų35.427%0.27217%0.167SC..Hα-helixtrans-71.2-47.3-177.1-66172.6000110.5K528 Y530 K534 D535 F569 Y570 Y573K528-I532 HydrophobicContact CG-CD1 3.86Å; K528-I532 WeakPolarHBondContact O-CG1 3.42Å; K528-I532 PolarHBondContact O-N 3.23Å; Y530-I532 PolarHBondContact O-N 3.22Å; I532-K534 PolarHBondContact O-N 2.95Å; I532-D535 PolarHBondContact O-N 3.2Å; I532-F569 HydrophobicContact CD1-CB 4.25Å; I532-Y570 HydrophobicContact CD1-CD1 4.44Å; I532-Y570 HydrophobicContact CG1-CD1 4.44Å; I532-Y573 HydrophobicContact CG1-CD1 4.17Å; I532-Y573 HydrophobicContact CG1-CG 4.26Å
533N96.6Very high97.5Very high121 Ų12132.5 Ų32.565%0.64715%0.154SC*.Hα-helixtrans-71.9-32.6-173.8-69.1-17.7000113.2N529N529-N533 WeakPolarHBondContact O-CB 3.34Å; N529-N533 PolarHBondContact O-N 3.23Å; N529-N533 PolarHBondContact O-ND2 3.42Å
534K96.1Very high97.5Very high119 Ų11933.3 Ų33.352%0.51716%0.158SC..THydrogen-bonded Turntrans-98.43.6178.7-59.6-70.4-1731730113.3Y530 I532 I536Y530-K534 HydrophobicContact CD2-CG 4.2Å; Y530-K534 HydrophobicContact CE1-CG 4.43Å; Y530-K534 HydrophobicContact CE2-CG 3.89Å; Y530-K534 WeakPolarHBondContact O-CB 3.39Å; Y530-K534 PolarHBondContact O-N 2.9Å; I532-K534 PolarHBondContact O-N 2.95Å; K534-I536 HydrophobicContact CB-CD1 3.66Å; K534-I536 HydrophobicContact CB-CG1 3.89Å; K534-I536 PolarHBondContact O-N 3.45Å
535D97Very high97.6Very high35 Ų3532.7 Ų32.719%0.18716%0.159CC..THydrogen-bonded Turntrans55.436.4-179.6-162.730.7000113.3I531 I532 L537 R538 R539 Y573I531-D535 CarbonylContact O-C 3.54Å; I531-D535 WeakPolarHBondContact O-CA 3.43Å; I531-D535 PolarHBondContact O-N 3.4Å; I531-D535 VanDerWaalsContact O-N 3.12Å; I532-D535 PolarHBondContact O-N 3.2Å; D535-L537 PolarHBondContact O-N 3.41Å; D535-R538 PolarHBondContact O-N 3.26Å; D535-R538 WeakPolarHBondContact OD1-CB 3.2Å; D535-R538 IonicContact OD1-CZ 2.73Å; D535-R538 IonicContact OD1-NE 3.71Å; D535-R538 IonicContact OD1-NH1 2.71Å; D535-R538 WeakPolarHBondContact OD2-CD 3.19Å; D535-R538 IonicContact OD2-CZ 3.81Å; D535-R538 VanDerWaalsContact OD2-CZ 3.24Å; D535-R538 IonicContact OD2-NE 3.99Å; D535-R538 PolarHBondContact OD2-NE 3.36Å; D535-R538 IonicContact OD2-NH1 3.98Å; D535-R538 PolarHBondContact OD2-NH1 3.4Å; D535-R539 WeakPolarHBondContact O-CG 3.38Å; D535-R539 PolarHBondContact O-N 3.45Å; D535-Y573 WeakPolarHBondContact CA-OH 3.39Å; D535-Y573 VanDerWaalsContact OD1-CE2 3.25Å; D535-Y573 WeakPolarHBondContact OD1-CE2 3.03Å; D535-Y573 VanDerWaalsContact OD1-CZ 3.31Å; D535-Y573 PolarHBondContact OD1-OH 3.45Å
536I98.4Very high97.7Very high0 Ų032.7 Ų32.70%016%0.162CC..Hα-helixtrans-61.1-42.7-170-60.5-60000111.6L489 L490 L516 Y530 I531 K534 R538 R539 V540 F558L489-I536 HydrophobicContact CD2-CG2 4.3Å; L490-I536 HydrophobicContact CD2-CD1 4.11Å; L516-I536 HydrophobicContact CD1-CG2 4.39Å; Y530-I536 HydrophobicContact CD1-CD1 4.33Å; Y530-I536 HydrophobicContact CD1-CG1 3.87Å; Y530-I536 HydrophobicContact CE1-CD1 3.73Å; Y530-I536 HydrophobicContact CE1-CG1 3.8Å; I531-I536 HydrophobicContact CB-CB 4.43Å; I531-I536 HydrophobicContact CG1-CB 4.22Å; I531-I536 HydrophobicContact CG2-CB 4.44Å; I531-I536 PolarHBondContact O-N 2.95Å; K534-I536 HydrophobicContact CB-CD1 3.66Å; K534-I536 HydrophobicContact CB-CG1 3.89Å; K534-I536 PolarHBondContact O-N 3.45Å; I536-R538 VanDerWaalsContact C-N 3.29Å; I536-R538 PolarHBondContact O-N 3.08Å; I536-R539 CarbonylContact O-C 3.6Å; I536-R539 WeakPolarHBondContact O-CA 3.45Å; I536-R539 WeakPolarHBondContact O-CB 3.3Å; I536-R539 PolarHBondContact O-N 2.64Å; I536-V540 HydrophobicContact CG2-CG2 3.94Å; I536-V540 WeakPolarHBondContact O-CG2 3.48Å; I536-V540 PolarHBondContact O-N 3.24Å; I536-F558 HydrophobicContact CG2-CE1 4.46Å; I536-F558 HydrophobicContact CG2-CZ 4.33Å
537L98.6Very high97.6Very high0 Ų039.6 Ų39.60%019%0.191CC..Hα-helixtrans-62.1-38.6-177.5-179.156.1000111.7I531 D535 R539 V540 L541 F558 K559 I562 Y573 I574 L579I531-L537 HydrophobicContact CG2-CB 4.2Å; D535-L537 PolarHBondContact O-N 3.41Å; L537-R539 VanDerWaalsContact C-N 3.3Å; L537-R539 PolarHBondContact O-N 3.12Å; L537-V540 PolarHBondContact O-N 2.96Å; L537-L541 HydrophobicContact CD1-CD1 4.08Å; L537-L541 HydrophobicContact CD1-CG 4.04Å; L537-L541 HydrophobicContact CG-CD1 3.99Å; L537-L541 HydrophobicContact CG-CG 4.4Å; L537-L541 WeakPolarHBondContact O-CB 3.22Å; L537-L541 WeakPolarHBondContact O-CG 3.25Å; L537-L541 PolarHBondContact O-N 3.38Å; L537-F558 HydrophobicContact CB-CE1 4.49Å; L537-F558 HydrophobicContact CD1-CD1 3.81Å; L537-F558 HydrophobicContact CD1-CE1 3.93Å; L537-K559 HydrophobicContact CD1-CB 3.91Å; L537-K559 HydrophobicContact CD1-CG 4.18Å; L537-I562 HydrophobicContact CB-CD1 4.44Å; L537-I562 HydrophobicContact CD1-CD1 3.98Å; L537-I562 HydrophobicContact CD2-CD1 4.03Å; L537-I562 HydrophobicContact CG-CD1 4.37Å; L537-Y573 HydrophobicContact CB-CE1 3.71Å; L537-Y573 HydrophobicContact CD2-CE1 4.22Å; L537-I574 HydrophobicContact CD2-CD1 4.15Å; L537-I574 HydrophobicContact CD2-CG1 3.72Å; L537-L579 HydrophobicContact CB-CD1 4.08Å; L537-L579 HydrophobicContact CD2-CD1 3.74Å; L537-L579 HydrophobicContact CG-CD1 3.85Å
538R98.3Very high97.5Very high113 Ų11340.8 Ų40.843%0.42620%0.197SC..Hα-helixtrans-58.9-45.7173.9-176-179.2-71.8156.9-11.3110.8D535 I536 L541 V542 Y573 S577 L579D535-R538 PolarHBondContact O-N 3.26Å; D535-R538 WeakPolarHBondContact OD1-CB 3.2Å; D535-R538 IonicContact OD1-CZ 2.73Å; D535-R538 IonicContact OD1-NE 3.71Å; D535-R538 IonicContact OD1-NH1 2.71Å; D535-R538 WeakPolarHBondContact OD2-CD 3.19Å; D535-R538 IonicContact OD2-CZ 3.81Å; D535-R538 VanDerWaalsContact OD2-CZ 3.24Å; D535-R538 IonicContact OD2-NE 3.99Å; D535-R538 PolarHBondContact OD2-NE 3.36Å; D535-R538 IonicContact OD2-NH1 3.98Å; D535-R538 PolarHBondContact OD2-NH1 3.4Å; I536-R538 VanDerWaalsContact C-N 3.29Å; I536-R538 PolarHBondContact O-N 3.08Å; R538-L541 PolarHBondContact O-N 3.43Å; R538-V542 PolarHBondContact O-N 2.94Å; R538-Y573 PolarHBondContact N-OH 3.45Å; R538-S577 PolarHBondContact NH2-OG 3.28Å; R538-S577 VanDerWaalsContact NH2-OG 3.15Å; R538-L579 HydrophobicContact CB-CD2 3.79Å; R538-L579 HydrophobicContact CG-CD2 4.04Å
539R98.2Very high97.4Very high68 Ų6843 Ų4326%0.25722%0.219SC..Hα-helixtrans-63.3-45.3179.2-58.4-63.4-80.7-1046.5111.7L490 T493 D535 I536 L537 L541 V542L490-R539 HydrophobicContact CD2-CB 4.12Å; L490-R539 HydrophobicContact CD2-CG 3.75Å; L490-R539 PolarHBondContact O-NH2 2.99Å; T493-R539 VanDerWaalsContact CG2-O 3.27Å; T493-R539 WeakPolarHBondContact CG2-O 3.28Å; T493-R539 PolarHBondContact O-NE 2.93Å; T493-R539 PolarHBondContact OG1-NE 3.37Å; T493-R539 VanDerWaalsContact OG1-NE 3.08Å; D535-R539 WeakPolarHBondContact O-CG 3.38Å; D535-R539 PolarHBondContact O-N 3.45Å; I536-R539 CarbonylContact O-C 3.6Å; I536-R539 WeakPolarHBondContact O-CA 3.45Å; I536-R539 WeakPolarHBondContact O-CB 3.3Å; I536-R539 PolarHBondContact O-N 2.64Å; L537-R539 VanDerWaalsContact C-N 3.3Å; L537-R539 PolarHBondContact O-N 3.12Å; R539-L541 VanDerWaalsContact C-N 3.29Å; R539-L541 PolarHBondContact O-N 3Å; R539-V542 WeakPolarHBondContact O-CB 3.44Å; R539-V542 PolarHBondContact O-N 2.83Å
540V98.7Very high97.4Very high0 Ų045.6 Ų45.60%023%0.229CC..Hα-helixtrans-58.7-40.3174.7173.10000111.7L489 L513 I536 L537 V542 L543 A555 F558L489-V540 HydrophobicContact CD1-CG2 4.32Å; L489-V540 HydrophobicContact CD2-CG2 3.75Å; L513-V540 HydrophobicContact CD1-CG1 4.37Å; L513-V540 HydrophobicContact CD2-CB 4.19Å; L513-V540 HydrophobicContact CD2-CG1 3.6Å; L513-V540 HydrophobicContact CD2-CG2 3.53Å; I536-V540 HydrophobicContact CG2-CG2 3.94Å; I536-V540 WeakPolarHBondContact O-CG2 3.48Å; I536-V540 PolarHBondContact O-N 3.24Å; L537-V540 PolarHBondContact O-N 2.96Å; V540-V542 PolarHBondContact O-N 3.45Å; V540-L543 VanDerWaalsContact O-CB 3.22Å; V540-L543 WeakPolarHBondContact O-CB 3.41Å; V540-L543 WeakPolarHBondContact O-CG 3.35Å; V540-L543 PolarHBondContact O-N 3.45Å; V540-A555 HydrophobicContact CG1-CB 3.7Å; V540-F558 HydrophobicContact CB-CD1 4.04Å; V540-F558 HydrophobicContact CB-CE1 4.3Å; V540-F558 HydrophobicContact CG1-CB 4.29Å; V540-F558 HydrophobicContact CG1-CD1 3.72Å; V540-F558 HydrophobicContact CG1-CE1 4.45Å; V540-F558 HydrophobicContact CG1-CG 4.28Å; V540-F558 HydrophobicContact CG2-CD1 3.96Å; V540-F558 HydrophobicContact CG2-CE1 3.87Å
541L98.6Very high97.4Very high2 Ų244.6 Ų44.61%0.0123%0.225CC..Hα-helixtrans-71.2-14.1-176.7-70.7171000114.7L537 R538 R539 L543 M544 K559 L579 P582 V583L537-L541 HydrophobicContact CD1-CD1 4.08Å; L537-L541 HydrophobicContact CD1-CG 4.04Å; L537-L541 HydrophobicContact CG-CD1 3.99Å; L537-L541 HydrophobicContact CG-CG 4.4Å; L537-L541 WeakPolarHBondContact O-CB 3.22Å; L537-L541 WeakPolarHBondContact O-CG 3.25Å; L537-L541 PolarHBondContact O-N 3.38Å; R538-L541 PolarHBondContact O-N 3.43Å; R539-L541 VanDerWaalsContact C-N 3.29Å; R539-L541 PolarHBondContact O-N 3Å; L541-L543 PolarHBondContact O-N 3.25Å; L541-M544 HydrophobicContact CD2-CG 4Å; L541-M544 VanDerWaalsContact O-CB 3.29Å; L541-M544 WeakPolarHBondContact O-CB 3.45Å; L541-M544 WeakPolarHBondContact O-CG 3.31Å; L541-M544 PolarHBondContact O-N 3.32Å; L541-K559 HydrophobicContact CD1-CD 4.2Å; L541-K559 HydrophobicContact CD2-CB 4.31Å; L541-K559 HydrophobicContact CD2-CD 3.86Å; L541-L579 HydrophobicContact CD1-CB 3.77Å; L541-L579 HydrophobicContact CD1-CD2 4.39Å; L541-L579 WeakPolarHBondContact CD1-O 3.2Å; L541-P582 HydrophobicContact CB-CB 4.06Å; L541-P582 HydrophobicContact CB-CG 4.03Å; L541-V583 HydrophobicContact CD2-CG2 3.94Å
542V98.3Very high97.4Very high21 Ų2144.7 Ų44.713%0.12723%0.226CC..Hα-helixtrans-58.5-33.8166.7173.50000110.8T493 E495 K497 R538 R539 V540 M544 A545T493-V542 HydrophobicContact CG2-CB 4.02Å; T493-V542 HydrophobicContact CG2-CG1 4.21Å; E495-V542 WeakPolarHBondContact O-CG1 3.44Å; K497-V542 VanDerWaalsContact C-CG1 3.45Å; R538-V542 PolarHBondContact O-N 2.94Å; R539-V542 WeakPolarHBondContact O-CB 3.44Å; R539-V542 PolarHBondContact O-N 2.83Å; V540-V542 PolarHBondContact O-N 3.45Å; V542-M544 PolarHBondContact O-N 2.88Å; V542-A545 PolarHBondContact O-N 2.89Å; V542-A545 VanDerWaalsContact O-N 3.12Å
543L98.4Very high97.4Very high0 Ų044.1 Ų44.10%022%0.224CC..G310 helixtrans-69.7-12.1-178.6-53.6176.7000113.5L489 T493 P498 L509 L513 V540 L541 A545 S546 L551 A555L489-L543 HydrophobicContact CD1-CD1 3.68Å; L489-L543 HydrophobicContact CD1-CG 4.45Å; T493-L543 HydrophobicContact CG2-CD2 3.74Å; T493-L543 HydrophobicContact CG2-CG 4.12Å; P498-L543 HydrophobicContact CB-CD2 4.33Å; P498-L543 HydrophobicContact CG-CD2 4.04Å; L509-L543 HydrophobicContact CD1-CD2 4.04Å; L513-L543 HydrophobicContact CD1-CD1 3.82Å; L513-L543 HydrophobicContact CG-CD1 4.49Å; V540-L543 VanDerWaalsContact O-CB 3.22Å; V540-L543 WeakPolarHBondContact O-CB 3.41Å; V540-L543 WeakPolarHBondContact O-CG 3.35Å; V540-L543 PolarHBondContact O-N 3.45Å; L541-L543 PolarHBondContact O-N 3.25Å; L543-A545 PolarHBondContact O-N 3.43Å; L543-A545 VanDerWaalsContact O-N 3.11Å; L543-S546 VanDerWaalsContact O-CB 3.28Å; L543-S546 WeakPolarHBondContact O-CB 3.31Å; L543-S546 PolarHBondContact O-N 2.82Å; L543-L551 HydrophobicContact CB-CD2 4.49Å; L543-L551 HydrophobicContact CB-CG 4.3Å; L543-L551 HydrophobicContact CD1-CD1 4.13Å; L543-L551 HydrophobicContact CD1-CG 4.42Å; L543-L551 HydrophobicContact CD2-CD2 4.22Å; L543-A555 HydrophobicContact CB-CB 4.07Å
544M97.7Very high97.5Very high17 Ų1739 Ų398%0.08420%0.198CC..G310 helixtrans-59.8-18.8169.1-66.7-63.6-57.600112.6L541 V542 A555 L556 A586 M597 I601L541-M544 HydrophobicContact CD2-CG 4Å; L541-M544 VanDerWaalsContact O-CB 3.29Å; L541-M544 WeakPolarHBondContact O-CB 3.45Å; L541-M544 WeakPolarHBondContact O-CG 3.31Å; L541-M544 PolarHBondContact O-N 3.32Å; V542-M544 PolarHBondContact O-N 2.88Å; M544-A555 HydrophobicContact SD-CB 4.16Å; M544-L556 HydrophobicContact CE-CB 4.39Å; M544-L556 HydrophobicContact CE-CD1 4.5Å; M544-L556 HydrophobicContact SD-CB 4Å; M544-A586 HydrophobicContact CB-CB 4.33Å; M544-A586 HydrophobicContact CE-CB 3.66Å; M544-M597 HydrophobicContact CE-SD 4.12Å; M544-I601 HydrophobicContact CE-CD1 4.33Å
545A96.2Very high97.6Very high55 Ų5533.4 Ų33.446%0.45517%0.173SC..G310 helixtrans-94.64176.600000114.2K497 V542 L543K497-A545 HydrophobicContact CG-CB 4.23Å; V542-A545 PolarHBondContact O-N 2.89Å; V542-A545 VanDerWaalsContact O-N 3.12Å; L543-A545 PolarHBondContact O-N 3.43Å; L543-A545 VanDerWaalsContact O-N 3.11Å
546S96.8Very high97.7Very high15 Ų1532 Ų3211%0.10517%0.165CC..  trans-62.8147.8176.8175.70000111.8D501 L543 H548D501-S546 WeakPolarHBondContact OD1-CB 3.37Å; D501-S546 PolarHBondContact OD1-OG 3.05Å; L543-S546 VanDerWaalsContact O-CB 3.28Å; L543-S546 WeakPolarHBondContact O-CB 3.31Å; L543-S546 PolarHBondContact O-N 2.82Å; S546-H548 PolarHBondContact O-N 3.04Å; S546-H548 PolarHBondContact OG-N 2.81Å
547K95Very high97.7Very high149 Ų14937.4 Ų37.465%0.64819%0.186SC*.SBendtrans-69.8-19.7170.880.6-163.2-164.4-160.50112.5D501D501-K547 WeakPolarHBondContact O-CD 3.18Å; D501-K547 WeakPolarHBondContact O-CE 3.33Å; D501-K547 PolarHBondContact O-NZ 3.37Å; D501-K547 WeakPolarHBondContact OD2-CB 3.26Å; D501-K547 WeakPolarHBondContact OD2-CG 3.5Å; D501-K547 PolarHBondContact OD2-N 2.91Å
548H96.5Very high97.7Very high27 Ų2737.4 Ų37.413%0.12519%0.186CC..  trans-91.6108.3-179.4-59.8-72.8000110.6D501 D502 F503 A506 S546 F550 L551 A552D501-H548 PolarHBondContact O-NE2 2.64Å; D501-H548 VanDerWaalsContact O-NE2 3.1Å; D501-H548 IonicContact OD1-CD2 3.97Å; D501-H548 PolarHBondContact OD1-CD2 2.96Å; D502-H548 VanDerWaalsContact C-NE2 3.27Å; D502-H548 PolarHBondContact O-NE2 3.32Å; D502-H548 VanDerWaalsContact O-NE2 3.1Å; F503-H548 AromaticContact CD2-CE1 3.97Å; A506-H548 HydrophobicContact CB-CB 4.17Å; A506-H548 WeakPolarHBondContact CB-CD2 3.47Å; S546-H548 PolarHBondContact O-N 3.04Å; S546-H548 PolarHBondContact OG-N 2.81Å; H548-F550 VanDerWaalsContact C-N 3.26Å; H548-F550 HydrophobicContact CB-CD1 4.02Å; H548-F550 HydrophobicContact CB-CE1 3.61Å; H548-F550 HydrophobicContact CB-CZ 4.05Å; H548-F550 PolarHBondContact O-N 2.82Å; H548-L551 HydrophobicContact CB-CB 4.27Å; H548-L551 PolarHBondContact O-N 2.92Å; H548-L551 VanDerWaalsContact O-N 3.14Å; H548-A552 PolarHBondContact O-N 2.94Å
549A94.9Very high97.7Very high65 Ų6532 Ų3254%0.53717%0.165SC..Hα-helixtrans-58.8-35.6-174.900000113.5A552 L553A549-A552 PolarHBondContact O-N 3.19Å; A549-L553 WeakPolarHBondContact O-CB 3.41Å; A549-L553 VanDerWaalsContact O-CG 3.29Å; A549-L553 WeakPolarHBondContact O-CG 3.28Å; A549-L553 PolarHBondContact O-N 2.69Å
550F97.2Very high97.8Very high75 Ų7531 Ų3133%0.32916%0.162SC..Hα-helixtrans-65.3-37.3179.370.2-94.1000112.5F503 A506 Q507 A510 H548 L553 C554F503-F550 HydrophobicContact CD2-CE1 4.26Å; F503-F550 HydrophobicContact CD2-CZ 4.45Å; F503-F550 AromaticContact CE2-CE1 3.97Å; F503-F550 HydrophobicContact CE2-CE1 3.97Å; F503-F550 HydrophobicContact CE2-CZ 4.27Å; A506-F550 HydrophobicContact CB-CE2 4.24Å; A506-F550 HydrophobicContact CB-CZ 3.77Å; Q507-F550 HydrophobicContact CG-CZ 4.25Å; A510-F550 HydrophobicContact CB-CD2 4.22Å; A510-F550 HydrophobicContact CB-CE2 4.08Å; H548-F550 VanDerWaalsContact C-N 3.26Å; H548-F550 HydrophobicContact CB-CD1 4.02Å; H548-F550 HydrophobicContact CB-CE1 3.61Å; H548-F550 HydrophobicContact CB-CZ 4.05Å; H548-F550 PolarHBondContact O-N 2.82Å; F550-L553 PolarHBondContact O-N 3.05Å; F550-C554 PolarHBondContact O-N 3.27Å; F550-C554 PolarHBondContact O-SG 3.04Å
551L98.3Very high97.7Very high1 Ų134.3 Ų34.31%0.00518%0.176CC..Hα-helixtrans-69.1-44.2178.1179.961.8000111A506 L509 A510 L513 L543 H548 L553 C554 A555A506-L551 HydrophobicContact CB-CB 4.41Å; A506-L551 HydrophobicContact CB-CD2 3.88Å; L509-L551 HydrophobicContact CB-CD1 3.77Å; L509-L551 HydrophobicContact CB-CD2 4.47Å; L509-L551 HydrophobicContact CD1-CD2 4.42Å; A510-L551 HydrophobicContact CB-CD1 4.3Å; L513-L551 HydrophobicContact CD1-CD1 4.04Å; L543-L551 HydrophobicContact CB-CD2 4.49Å; L543-L551 HydrophobicContact CB-CG 4.3Å; L543-L551 HydrophobicContact CD1-CD1 4.13Å; L543-L551 HydrophobicContact CD1-CG 4.42Å; L543-L551 HydrophobicContact CD2-CD2 4.22Å; H548-L551 HydrophobicContact CB-CB 4.27Å; H548-L551 PolarHBondContact O-N 2.92Å; H548-L551 VanDerWaalsContact O-N 3.14Å; L551-L553 VanDerWaalsContact C-N 3.26Å; L551-L553 PolarHBondContact O-N 3.46Å; L551-C554 WeakPolarHBondContact O-CB 3.44Å; L551-C554 PolarHBondContact O-N 3.32Å; L551-C554 VanDerWaalsContact O-N 3.1Å; L551-A555 PolarHBondContact O-N 3.17Å
552A97.8Very high97.7Very high3 Ų334.2 Ų34.23%0.02518%0.175CC..Hα-helixtrans-61.1-37174.200000111.6H548 A549 A555 L556 M597H548-A552 PolarHBondContact O-N 2.94Å; A549-A552 PolarHBondContact O-N 3.19Å; A552-A555 PolarHBondContact O-N 3.04Å; A552-L556 PolarHBondContact O-N 3.18Å; A552-M597 HydrophobicContact CB-CE 3.36Å
553L98.2Very high97.8Very high40 Ų4033.2 Ų33.221%0.20917%0.169CC..Hα-helixtrans-66.5-36.5173.2-75.1167.9000112.3A549 F550 L551 L556 R557 L596 M597 A600A549-L553 WeakPolarHBondContact O-CB 3.41Å; A549-L553 VanDerWaalsContact O-CG 3.29Å; A549-L553 WeakPolarHBondContact O-CG 3.28Å; A549-L553 PolarHBondContact O-N 2.69Å; F550-L553 PolarHBondContact O-N 3.05Å; L551-L553 VanDerWaalsContact C-N 3.26Å; L551-L553 PolarHBondContact O-N 3.46Å; L553-L556 PolarHBondContact O-N 3.5Å; L553-R557 VanDerWaalsContact O-CB 3.3Å; L553-R557 WeakPolarHBondContact O-CB 3.37Å; L553-R557 PolarHBondContact O-N 2.88Å; L553-L596 HydrophobicContact CD1-CD2 3.54Å; L553-L596 HydrophobicContact CD1-CG 3.91Å; L553-L596 HydrophobicContact CD2-CG 4.25Å; L553-M597 HydrophobicContact CD2-CE 3.97Å; L553-M597 HydrophobicContact CD2-SD 4.04Å; L553-M597 HydrophobicContact CG-CE 3.79Å; L553-A600 HydrophobicContact CD2-CB 4Å
554C98.6Very high97.7Very high15 Ų1534.4 Ų34.410%0.10118%0.182CC..Hα-helixtrans-62.9-43.5173.5-68.40000111.6L513 F550 L551 L556 R557 F558L513-C554 HydrophobicContact CB-CB 4.24Å; L513-C554 HydrophobicContact CD1-CB 3.73Å; F550-C554 PolarHBondContact O-N 3.27Å; F550-C554 PolarHBondContact O-SG 3.04Å; L551-C554 WeakPolarHBondContact O-CB 3.44Å; L551-C554 PolarHBondContact O-N 3.32Å; L551-C554 VanDerWaalsContact O-N 3.1Å; C554-L556 PolarHBondContact O-N 3.47Å; C554-R557 PolarHBondContact O-N 3.43Å; C554-F558 PolarHBondContact O-N 3.45Å
555A98.6Very high97.7Very high0 Ų037.2 Ų37.20%020%0.197CC..Hα-helixtrans-62.6-41.6176.100000112.2L513 V540 L543 M544 L551 A552 F558 K559L513-A555 HydrophobicContact CD1-CB 4.34Å; V540-A555 HydrophobicContact CG1-CB 3.7Å; L543-A555 HydrophobicContact CB-CB 4.07Å; M544-A555 HydrophobicContact SD-CB 4.16Å; L551-A555 PolarHBondContact O-N 3.17Å; A552-A555 PolarHBondContact O-N 3.04Å; A555-F558 PolarHBondContact O-N 3.07Å; A555-K559 PolarHBondContact O-N 3.24Å; A555-K559 VanDerWaalsContact O-N 3.15Å
556L98.6Very high97.7Very high5 Ų537.5 Ų37.53%0.02619%0.188CC..Hα-helixtrans-64.8-43.7174.6-176.764.9000111.9M544 A552 L553 C554 F558 K559 R560 V583 M597 A600 I601 M604M544-L556 HydrophobicContact CE-CB 4.39Å; M544-L556 HydrophobicContact CE-CD1 4.5Å; M544-L556 HydrophobicContact SD-CB 4Å; A552-L556 PolarHBondContact O-N 3.18Å; L553-L556 PolarHBondContact O-N 3.5Å; C554-L556 PolarHBondContact O-N 3.47Å; L556-F558 VanDerWaalsContact C-N 3.33Å; L556-F558 PolarHBondContact O-N 3.25Å; L556-K559 PolarHBondContact O-N 3.32Å; L556-R560 VanDerWaalsContact O-CB 3.28Å; L556-R560 WeakPolarHBondContact O-CB 3.4Å; L556-R560 PolarHBondContact O-N 2.82Å; L556-V583 HydrophobicContact CD1-CG1 4.04Å; L556-V583 HydrophobicContact CD1-CG2 4.49Å; L556-M597 HydrophobicContact CD2-SD 4.24Å; L556-A600 HydrophobicContact CD2-CB 3.6Å; L556-I601 HydrophobicContact CD1-CG1 4.09Å; L556-I601 HydrophobicContact CD2-CB 4.44Å; L556-I601 HydrophobicContact CD2-CG1 3.55Å; L556-I601 HydrophobicContact CG-CG1 4.48Å; L556-M604 HydrophobicContact CD1-CE 4.23Å; L556-M604 HydrophobicContact CD1-SD 3.92Å
557R98.6Very high97.7Very high114 Ų11438.6 Ų38.643%0.4319%0.193SC..Hα-helixtrans-58.9-43.5176.5-177.5174.466.6-179.61.3111.4E514 L553 C554 R560 K561E514-R557 IonicContact OE2-NH2 3.94Å; L553-R557 VanDerWaalsContact O-CB 3.3Å; L553-R557 WeakPolarHBondContact O-CB 3.37Å; L553-R557 PolarHBondContact O-N 2.88Å; C554-R557 PolarHBondContact O-N 3.43Å; R557-R560 PolarHBondContact O-N 3.07Å; R557-K561 WeakPolarHBondContact O-CB 3.22Å; R557-K561 PolarHBondContact O-N 3.35Å
558F98.8Very high97.8Very high0 Ų035.5 Ų35.50%018%0.18CC..Hα-helixtrans-58.5-51.3175.3-179.8-106.2000111.8L516 V520 I531 I536 L537 V540 C554 A555 L556 R560 K561 I562L516-F558 HydrophobicContact CB-CD2 4.18Å; L516-F558 HydrophobicContact CB-CE2 3.69Å; L516-F558 HydrophobicContact CB-CZ 4.46Å; V520-F558 HydrophobicContact CG2-CD2 4.31Å; V520-F558 HydrophobicContact CG2-CE2 3.57Å; V520-F558 HydrophobicContact CG2-CZ 4.15Å; I531-F558 HydrophobicContact CD1-CE2 4.26Å; I531-F558 HydrophobicContact CD1-CZ 3.62Å; I531-F558 HydrophobicContact CG1-CZ 4.15Å; I536-F558 HydrophobicContact CG2-CE1 4.46Å; I536-F558 HydrophobicContact CG2-CZ 4.33Å; L537-F558 HydrophobicContact CB-CE1 4.49Å; L537-F558 HydrophobicContact CD1-CD1 3.81Å; L537-F558 HydrophobicContact CD1-CE1 3.93Å; V540-F558 HydrophobicContact CB-CD1 4.04Å; V540-F558 HydrophobicContact CB-CE1 4.3Å; V540-F558 HydrophobicContact CG1-CB 4.29Å; V540-F558 HydrophobicContact CG1-CD1 3.72Å; V540-F558 HydrophobicContact CG1-CE1 4.45Å; V540-F558 HydrophobicContact CG1-CG 4.28Å; V540-F558 HydrophobicContact CG2-CD1 3.96Å; V540-F558 HydrophobicContact CG2-CE1 3.87Å; C554-F558 PolarHBondContact O-N 3.45Å; A555-F558 PolarHBondContact O-N 3.07Å; L556-F558 VanDerWaalsContact C-N 3.33Å; L556-F558 PolarHBondContact O-N 3.25Å; F558-R560 VanDerWaalsContact C-N 3.35Å; F558-R560 PolarHBondContact O-N 3.44Å; F558-K561 PolarHBondContact O-N 2.98Å; F558-I562 HydrophobicContact CD1-CD1 4.01Å; F558-I562 HydrophobicContact CE1-CD1 3.57Å; F558-I562 HydrophobicContact CE2-CD1 4.47Å; F558-I562 HydrophobicContact CZ-CD1 3.84Å; F558-I562 PolarHBondContact O-N 3.35Å; F558-I562 VanDerWaalsContact O-N 3.15Å
559K98.7Very high97.8Very high0 Ų038.8 Ų38.80%020%0.195CC..Hα-helixtrans-60.3-44175.8-177.1176.4174178.40112.3L537 L541 A555 L556 K561 I562 I563 L579 V583 M604L537-K559 HydrophobicContact CD1-CB 3.91Å; L537-K559 HydrophobicContact CD1-CG 4.18Å; L541-K559 HydrophobicContact CD1-CD 4.2Å; L541-K559 HydrophobicContact CD2-CB 4.31Å; L541-K559 HydrophobicContact CD2-CD 3.86Å; A555-K559 PolarHBondContact O-N 3.24Å; A555-K559 VanDerWaalsContact O-N 3.15Å; L556-K559 PolarHBondContact O-N 3.32Å; K559-K561 PolarHBondContact O-N 3.38Å; K559-I562 PolarHBondContact O-N 2.91Å; K559-I563 HydrophobicContact CD-CD1 4.48Å; K559-I563 HydrophobicContact CG-CD1 3.99Å; K559-I563 WeakPolarHBondContact O-CG1 3.48Å; K559-I563 PolarHBondContact O-N 3.23Å; K559-L579 PolarHBondContact NZ-O 3.48Å; K559-V583 HydrophobicContact CD-CG2 3.87Å; K559-M604 HydrophobicContact CD-SD 4.1Å; K559-M604 HydrophobicContact CG-SD 4.2Å
560R98.5Very high98Very high48 Ų4835.8 Ų35.818%0.18117%0.169CC..Hα-helixtrans-59.6-37.2179.1174.961.3-176.785.17.9111.6L556 R557 F558 G564 E603 M604 F607L556-R560 VanDerWaalsContact O-CB 3.28Å; L556-R560 WeakPolarHBondContact O-CB 3.4Å; L556-R560 PolarHBondContact O-N 2.82Å; R557-R560 PolarHBondContact O-N 3.07Å; F558-R560 VanDerWaalsContact C-N 3.35Å; F558-R560 PolarHBondContact O-N 3.44Å; R560-G564 PolarHBondContact O-N 3.42Å; R560-E603 WeakPolarHBondContact CD-OE2 3.27Å; R560-E603 IonicContact CZ-OE1 3.84Å; R560-E603 IonicContact CZ-OE2 2.93Å; R560-E603 IonicContact NE-OE1 2.86Å; R560-E603 PolarHBondContact NE-OE1 3.29Å; R560-E603 IonicContact NE-OE2 3.54Å; R560-E603 PolarHBondContact NE-OE2 3.38Å; R560-E603 IonicContact NH2-OE1 3.89Å; R560-E603 PolarHBondContact NH2-OE1 2.93Å; R560-E603 IonicContact NH2-OE2 3.27Å; R560-M604 HydrophobicContact CB-CG 4.42Å; R560-F607 VanDerWaalsContact CZ-CD1 3.48Å; R560-F607 VanDerWaalsContact NH1-CE1 3.25Å
561K98.4Very high98Very high68 Ų6832.2 Ų32.230%0.29615%0.154SC..Hα-helixtrans-67.9-44.4176.9-166.36671.1148.60112T517 V520 E521 R557 F558 K559 I563 G564 L565T517-K561 HydrophobicContact CG2-CB 4.05Å; T517-K561 HydrophobicContact CG2-CG 4.1Å; V520-K561 HydrophobicContact CB-CG 4.38Å; V520-K561 HydrophobicContact CG1-CB 4.29Å; V520-K561 HydrophobicContact CG1-CG 3.84Å; E521-K561 HydrophobicContact CG-CD 3.46Å; E521-K561 VanDerWaalsContact CG-CD 3.46Å; E521-K561 HydrophobicContact CG-CG 3.7Å; E521-K561 WeakPolarHBondContact OE1-CD 3.17Å; E521-K561 WeakPolarHBondContact OE1-CE 3.47Å; E521-K561 IonicContact OE1-NZ 3.24Å; E521-K561 PolarHBondContact OE1-NZ 3.42Å; E521-K561 IonicContact OE2-NZ 3.96Å; E521-K561 PolarHBondContact OE2-NZ 3.21Å; R557-K561 WeakPolarHBondContact O-CB 3.22Å; R557-K561 PolarHBondContact O-N 3.35Å; F558-K561 PolarHBondContact O-N 2.98Å; K559-K561 PolarHBondContact O-N 3.38Å; K561-I563 PolarHBondContact O-N 3.11Å; K561-G564 WeakPolarHBondContact O-CA 3.5Å; K561-G564 PolarHBondContact O-N 3.35Å; K561-L565 PolarHBondContact O-N 3.42Å
562I98.6Very high98Very high0 Ų037.4 Ų37.40%017%0.173CC..Hα-helixtrans-57.2-48.3173.5-67.6170.5000111.3V520 I531 L537 F558 K559 G564 L565 Y570 I574V520-I562 HydrophobicContact CG1-CG1 3.87Å; V520-I562 HydrophobicContact CG2-CG1 4.04Å; I531-I562 HydrophobicContact CD1-CD1 4.02Å; I531-I562 HydrophobicContact CD1-CG1 4.47Å; I531-I562 HydrophobicContact CG2-CD1 4.45Å; L537-I562 HydrophobicContact CB-CD1 4.44Å; L537-I562 HydrophobicContact CD1-CD1 3.98Å; L537-I562 HydrophobicContact CD2-CD1 4.03Å; L537-I562 HydrophobicContact CG-CD1 4.37Å; F558-I562 HydrophobicContact CD1-CD1 4.01Å; F558-I562 HydrophobicContact CE1-CD1 3.57Å; F558-I562 HydrophobicContact CE2-CD1 4.47Å; F558-I562 HydrophobicContact CZ-CD1 3.84Å; F558-I562 PolarHBondContact O-N 3.35Å; F558-I562 VanDerWaalsContact O-N 3.15Å; K559-I562 PolarHBondContact O-N 2.91Å; I562-G564 PolarHBondContact O-N 3.24Å; I562-L565 WeakPolarHBondContact O-CB 3.42Å; I562-L565 PolarHBondContact O-N 3.34Å; I562-Y570 HydrophobicContact CG2-CD1 3.57Å; I562-Y570 HydrophobicContact CG2-CD2 3.84Å; I562-Y570 HydrophobicContact CG2-CE1 4.05Å; I562-Y570 HydrophobicContact CG2-CE2 4.33Å; I562-Y570 HydrophobicContact CG2-CG 3.45Å; I562-Y570 VanDerWaalsContact CG2-CG 3.45Å; I562-I574 HydrophobicContact CG2-CD1 4.23Å
563I98.5Very high98Very high0 Ų038.2 Ų38.20%018%0.176CC..Hα-helixtrans-61.6-35.1175.9-68.6168.6000111K559 K561 L565 K566 I574 F580 M604 F607 I608 I613 L616K559-I563 HydrophobicContact CD-CD1 4.48Å; K559-I563 HydrophobicContact CG-CD1 3.99Å; K559-I563 WeakPolarHBondContact O-CG1 3.48Å; K559-I563 PolarHBondContact O-N 3.23Å; K561-I563 PolarHBondContact O-N 3.11Å; I563-L565 PolarHBondContact O-N 2.95Å; I563-K566 PolarHBondContact O-N 2.9Å; I563-I574 HydrophobicContact CG1-CD1 3.98Å; I563-F580 HydrophobicContact CD1-CE1 4.28Å; I563-F580 HydrophobicContact CD1-CZ 4.13Å; I563-M604 HydrophobicContact CD1-CG 4.02Å; I563-M604 HydrophobicContact CD1-SD 3.73Å; I563-F607 HydrophobicContact CG2-CD1 4.06Å; I563-F607 HydrophobicContact CG2-CE1 4.21Å; I563-I608 HydrophobicContact CD1-CD1 4.33Å; I563-I608 HydrophobicContact CG2-CD1 4.46Å; I563-I608 HydrophobicContact CG2-CG1 3.87Å; I563-I613 HydrophobicContact CG2-CD1 3.75Å; I563-L616 HydrophobicContact CD1-CD1 4.44Å; I563-L616 HydrophobicContact CG1-CD1 4.02Å; I563-L616 HydrophobicContact CG2-CD1 3.94Å
564G97.9Very high98Very high26 Ų2636.3 Ų36.327%0.26817%0.166SC..Hα-helixtrans-56.2-31.6177.500000114.4R560 K561 I562 K566R560-G564 PolarHBondContact O-N 3.42Å; K561-G564 WeakPolarHBondContact O-CA 3.5Å; K561-G564 PolarHBondContact O-N 3.35Å; I562-G564 PolarHBondContact O-N 3.24Å; G564-K566 PolarHBondContact O-N 2.87Å
565L97.1Very high98Very high76 Ų7637.7 Ų37.740%0.39817%0.171SC..THydrogen-bonded Turntrans-69.5-20.4178.1-62.1175.9000113V520 K561 I562 I563 D567 Y570V520-L565 HydrophobicContact CG1-CD1 3.76Å; V520-L565 HydrophobicContact CG1-CG 4.43Å; K561-L565 PolarHBondContact O-N 3.42Å; I562-L565 WeakPolarHBondContact O-CB 3.42Å; I562-L565 PolarHBondContact O-N 3.34Å; I563-L565 PolarHBondContact O-N 2.95Å; L565-D567 HydrophobicContact CB-CB 4.43Å; L565-D567 PolarHBondContact O-N 3.23Å; L565-Y570 HydrophobicContact CD1-CD2 4.15Å; L565-Y570 HydrophobicContact CD1-CE2 3.59Å
566K96.7Very high97.9Very high60 Ų6043.3 Ų43.326%0.26120%0.196SC..THydrogen-bonded Turntrans52.134.6-177.2-51.2174.8-168.6173.80113I563 G564 E611 I613I563-K566 PolarHBondContact O-N 2.9Å; G564-K566 PolarHBondContact O-N 2.87Å; K566-E611 WeakPolarHBondContact CE-OE2 3.48Å; K566-E611 IonicContact NZ-OE2 3.42Å; K566-E611 PolarHBondContact NZ-OE2 2.83Å; K566-I613 HydrophobicContact CG-CD1 4.08Å; K566-I613 HydrophobicContact CG-CG1 4.38Å
567D96.9Very high97.8Very high38 Ų3844.3 Ų44.320%0.20320%0.203CC..  trans-87.7129177.6176.9-50.6000109.6K528 L565 F569 Y570 N571K528-D567 WeakPolarHBondContact CD-OD2 3.44Å; K528-D567 IonicContact NZ-OD2 3.23Å; K528-D567 PolarHBondContact NZ-OD2 3.08Å; L565-D567 HydrophobicContact CB-CB 4.43Å; L565-D567 PolarHBondContact O-N 3.23Å; D567-F569 PolarHBondContact O-N 3.02Å; D567-F569 WeakPolarHBondContact OD1-CA 3.44Å; D567-F569 VanDerWaalsContact OD1-CB 3.25Å; D567-F569 WeakPolarHBondContact OD1-CB 3.21Å; D567-F569 PolarHBondContact OD1-N 3.44Å; D567-Y570 HydrophobicContact CB-CD2 3.89Å; D567-Y570 PolarHBondContact O-N 2.94Å; D567-Y570 PolarHBondContact OD1-N 2.85Å; D567-N571 VanDerWaalsContact O-CG 3.28Å; D567-N571 PolarHBondContact O-N 3.24Å; D567-N571 PolarHBondContact O-OD1 3.49Å
568E96.7Very high97.7Very high84 Ų8443.5 Ų43.539%0.39320%0.203SC..Hα-helixtrans-74.7-19.2-175.1-69.8-57.7142.200114.1N571 R572 S615E568-N571 PolarHBondContact OE1-ND2 3.44Å; E568-N571 PolarHBondContact OE2-ND2 2.71Å; E568-R572 VanDerWaalsContact O-CB 3.3Å; E568-R572 WeakPolarHBondContact O-CB 3.29Å; E568-R572 VanDerWaalsContact O-CG 3.23Å; E568-R572 WeakPolarHBondContact O-CG 3.42Å; E568-R572 PolarHBondContact O-N 3.13Å; E568-R572 PolarHBondContact O-NE 3.37Å; E568-S615 PolarHBondContact OE1-OG 2.91Å; E568-S615 PolarHBondContact OE2-OG 3.35Å
569F97.1Very high97.7Very high97 Ų9743.7 Ų43.743%0.42520%0.204SC..Hα-helixtrans-68.4-44.9169.9-67.8-93.2000110.5K528 I532 D567 R572 Y573K528-F569 HydrophobicContact CD-CB 4.38Å; I532-F569 HydrophobicContact CD1-CB 4.25Å; D567-F569 PolarHBondContact O-N 3.02Å; D567-F569 WeakPolarHBondContact OD1-CA 3.44Å; D567-F569 VanDerWaalsContact OD1-CB 3.25Å; D567-F569 WeakPolarHBondContact OD1-CB 3.21Å; D567-F569 PolarHBondContact OD1-N 3.44Å; F569-R572 PolarHBondContact O-N 3.32Å; F569-Y573 WeakPolarHBondContact O-CB 3.42Å; F569-Y573 PolarHBondContact O-N 3.31Å
570Y98.2Very high97.7Very high2 Ų243.7 Ų43.71%0.00820%0.204CC..Hα-helixtrans-62.1-43.9172.3-77-53.2000111.6K528 I531 I532 I562 L565 D567 R572 Y573 I574K528-Y570 WeakPolarHBondContact CA-OH 3.46Å; K528-Y570 HydrophobicContact CB-CE1 4.3Å; K528-Y570 HydrophobicContact CB-CE2 4.14Å; K528-Y570 WeakPolarHBondContact CB-OH 3.46Å; K528-Y570 HydrophobicContact CD-CD2 4.43Å; K528-Y570 HydrophobicContact CD-CE2 4.1Å; K528-Y570 HydrophobicContact CG-CE1 4.01Å; K528-Y570 HydrophobicContact CG-CE2 3.99Å; K528-Y570 PolarHBondContact N-OH 2.96Å; I531-Y570 HydrophobicContact CB-CE1 4.2Å; I531-Y570 HydrophobicContact CD1-CE1 4.22Å; I531-Y570 HydrophobicContact CG2-CE1 4.01Å; I532-Y570 HydrophobicContact CD1-CD1 4.44Å; I532-Y570 HydrophobicContact CG1-CD1 4.44Å; I562-Y570 HydrophobicContact CG2-CD1 3.57Å; I562-Y570 HydrophobicContact CG2-CD2 3.84Å; I562-Y570 HydrophobicContact CG2-CE1 4.05Å; I562-Y570 HydrophobicContact CG2-CE2 4.33Å; I562-Y570 HydrophobicContact CG2-CG 3.45Å; I562-Y570 VanDerWaalsContact CG2-CG 3.45Å; L565-Y570 HydrophobicContact CD1-CD2 4.15Å; L565-Y570 HydrophobicContact CD1-CE2 3.59Å; D567-Y570 HydrophobicContact CB-CD2 3.89Å; D567-Y570 PolarHBondContact O-N 2.94Å; D567-Y570 PolarHBondContact OD1-N 2.85Å; Y570-R572 PolarHBondContact O-N 3.39Å; Y570-Y573 PolarHBondContact O-N 3.44Å; Y570-I574 WeakPolarHBondContact O-CB 2.92Å; Y570-I574 VanDerWaalsContact O-CG1 3.29Å; Y570-I574 WeakPolarHBondContact O-CG1 3.48Å; Y570-I574 PolarHBondContact O-N 3.48Å
571N98.2Very high97.6Very high0 Ų047 Ų470%022%0.222CC..Hα-helixtrans-60.2-46.8178.1-64.7-18000111.2D567 E568 Y573 I574 M575 I613 S615 L616D567-N571 VanDerWaalsContact O-CG 3.28Å; D567-N571 PolarHBondContact O-N 3.24Å; D567-N571 PolarHBondContact O-OD1 3.49Å; E568-N571 PolarHBondContact OE1-ND2 3.44Å; E568-N571 PolarHBondContact OE2-ND2 2.71Å; N571-Y573 VanDerWaalsContact C-N 3.34Å; N571-Y573 PolarHBondContact O-N 3.5Å; N571-I574 PolarHBondContact O-N 2.89Å; N571-M575 WeakPolarHBondContact O-CB 3.25Å; N571-M575 WeakPolarHBondContact O-CG 3.19Å; N571-M575 PolarHBondContact O-N 2.85Å; N571-I613 WeakPolarHBondContact ND2-CG2 3.35Å; N571-S615 PolarHBondContact ND2-OG 2.73Å; N571-L616 HydrophobicContact CB-CD2 3.75Å; N571-L616 HydrophobicContact CB-CG 4.15Å; N571-L616 WeakPolarHBondContact OD1-CD1 3.45Å
572R98Very high97.6Very high110 Ų11045.8 Ų45.842%0.41522%0.221SC..Hα-helixtrans-59.5-42.8176.1-77.5-174.6-66.5171.8-3.2112.5E568 F569 Y570 M575 K576E568-R572 VanDerWaalsContact O-CB 3.3Å; E568-R572 WeakPolarHBondContact O-CB 3.29Å; E568-R572 VanDerWaalsContact O-CG 3.23Å; E568-R572 WeakPolarHBondContact O-CG 3.42Å; E568-R572 PolarHBondContact O-N 3.13Å; E568-R572 PolarHBondContact O-NE 3.37Å; F569-R572 PolarHBondContact O-N 3.32Å; Y570-R572 PolarHBondContact O-N 3.39Å; R572-M575 HydrophobicContact CG-CE 4.12Å; R572-M575 PolarHBondContact O-N 3.07Å; R572-K576 VanDerWaalsContact O-CB 3.22Å; R572-K576 WeakPolarHBondContact O-CB 3.23Å; R572-K576 PolarHBondContact O-N 3.25Å
573Y98Very high97.5Very high20 Ų2045.8 Ų45.88%0.07822%0.221CC..Hα-helixtrans-61.9-48175.5166.4-125.1000112I531 I532 D535 L537 R538 F569 Y570 N571 M575 K576 S577 L579I531-Y573 HydrophobicContact CG2-CE1 4.02Å; I532-Y573 HydrophobicContact CG1-CD1 4.17Å; I532-Y573 HydrophobicContact CG1-CG 4.26Å; D535-Y573 WeakPolarHBondContact CA-OH 3.39Å; D535-Y573 VanDerWaalsContact OD1-CE2 3.25Å; D535-Y573 WeakPolarHBondContact OD1-CE2 3.03Å; D535-Y573 VanDerWaalsContact OD1-CZ 3.31Å; D535-Y573 PolarHBondContact OD1-OH 3.45Å; L537-Y573 HydrophobicContact CB-CE1 3.71Å; L537-Y573 HydrophobicContact CD2-CE1 4.22Å; R538-Y573 PolarHBondContact N-OH 3.45Å; F569-Y573 WeakPolarHBondContact O-CB 3.42Å; F569-Y573 PolarHBondContact O-N 3.31Å; Y570-Y573 PolarHBondContact O-N 3.44Å; N571-Y573 VanDerWaalsContact C-N 3.34Å; N571-Y573 PolarHBondContact O-N 3.5Å; Y573-M575 VanDerWaalsContact C-N 3.31Å; Y573-M575 PolarHBondContact O-N 2.94Å; Y573-K576 PolarHBondContact O-N 3.22Å; Y573-S577 WeakPolarHBondContact O-CB 3.46Å; Y573-S577 PolarHBondContact O-N 3Å; Y573-S577 VanDerWaalsContact O-N 3.11Å; Y573-L579 HydrophobicContact CD1-CD1 4.28Å; Y573-L579 HydrophobicContact CE1-CD1 3.76Å; Y573-L579 HydrophobicContact CE2-CD1 4.15Å
574I98.4Very high97.5Very high0 Ų046 Ų460%022%0.222CC..Hα-helixtrans-57.1-45.2176.4-72167.2000111.2L537 I562 I563 Y570 N571 F578 L579 F580 L616L537-I574 HydrophobicContact CD2-CD1 4.15Å; L537-I574 HydrophobicContact CD2-CG1 3.72Å; I562-I574 HydrophobicContact CG2-CD1 4.23Å; I563-I574 HydrophobicContact CG1-CD1 3.98Å; Y570-I574 WeakPolarHBondContact O-CB 2.92Å; Y570-I574 VanDerWaalsContact O-CG1 3.29Å; Y570-I574 WeakPolarHBondContact O-CG1 3.48Å; Y570-I574 PolarHBondContact O-N 3.48Å; N571-I574 PolarHBondContact O-N 2.89Å; I574-F578 PolarHBondContact O-N 3.4Å; I574-L579 HydrophobicContact CG1-CD1 4.45Å; I574-L579 HydrophobicContact CG2-CB 4.27Å; I574-L579 PolarHBondContact O-N 3.23Å; I574-F580 HydrophobicContact CG2-CD2 3.75Å; I574-F580 HydrophobicContact CG2-CE2 3.45Å; I574-F580 VanDerWaalsContact CG2-CE2 3.45Å; I574-F580 HydrophobicContact CG2-CZ 4.27Å; I574-L616 HydrophobicContact CB-CD2 4.46Å; I574-L616 HydrophobicContact CG2-CD2 4.16Å
575M97.9Very high97.3Very high44 Ų4450.7 Ų50.722%0.21724%0.235CC..Hα-helixtrans-68.4-49.9-179.2-69.2-173.1-63.400112.1N571 R572 Y573 S577 F578 L616 H619N571-M575 WeakPolarHBondContact O-CB 3.25Å; N571-M575 WeakPolarHBondContact O-CG 3.19Å; N571-M575 PolarHBondContact O-N 2.85Å; R572-M575 HydrophobicContact CG-CE 4.12Å; R572-M575 PolarHBondContact O-N 3.07Å; Y573-M575 VanDerWaalsContact C-N 3.31Å; Y573-M575 PolarHBondContact O-N 2.94Å; M575-S577 PolarHBondContact O-N 2.95Å; M575-F578 PolarHBondContact O-N 3.39Å; M575-L616 HydrophobicContact CG-CD2 4.11Å; M575-H619 HydrophobicContact CG-CB 3.65Å; M575-H619 PolarHBondContact O-CE1 3.39Å; M575-H619 VanDerWaalsContact O-CE1 3.26Å; M575-H619 HydrophobicContact SD-CB 3.81Å
576K96.7Very high97.2Very high117 Ų11747.6 Ų47.651%0.50922%0.22SC..Hα-helixtrans-60.1-35.4-177.4-175.8179.3-177.8179.50112.2R572 Y573 M717R572-K576 VanDerWaalsContact O-CB 3.22Å; R572-K576 WeakPolarHBondContact O-CB 3.23Å; R572-K576 PolarHBondContact O-N 3.25Å; Y573-K576 PolarHBondContact O-N 3.22Å; K576-M717 PolarHBondContact NZ-SD 2.91Å; K576-M717 VanDerWaalsContact NZ-SD 3.45Å
577S95.6Very high97.1Very high27 Ų2745 Ų4519%0.18921%0.209CC..THydrogen-bonded Turntrans-98.38.5-177.9-69.90000113.9R538 Y573 M575 L579R538-S577 PolarHBondContact NH2-OG 3.28Å; R538-S577 VanDerWaalsContact NH2-OG 3.15Å; Y573-S577 WeakPolarHBondContact O-CB 3.46Å; Y573-S577 PolarHBondContact O-N 3Å; Y573-S577 VanDerWaalsContact O-N 3.11Å; M575-S577 PolarHBondContact O-N 2.95Å; S577-L579 WeakPolarHBondContact O-CD2 3.43Å; S577-L579 PolarHBondContact O-N 3.44Å
578F97.6Very high97Very high97 Ų9747.1 Ų47.143%0.42522%0.22SC..THydrogen-bonded Turntrans51.338.3179.5-66.1-92.1000114.1I574 M575 F580 E581 H619 Y624I574-F578 PolarHBondContact O-N 3.4Å; M575-F578 PolarHBondContact O-N 3.39Å; F578-F580 PolarHBondContact O-N 3.45Å; F578-E581 WeakPolarHBondContact O-CB 3.45Å; F578-E581 PolarHBondContact O-N 2.81Å; F578-H619 AromaticContact CD1-CE1 3.77Å; F578-Y624 PolarHBondContact O-OH 2.95Å
579L98.1Very high96.7Very high3 Ų349 Ų492%0.01623%0.233CC..THydrogen-bonded Turntrans-72.13.4-169.8-59.8-176.7000114.1L537 R538 L541 K559 Y573 I574 S577L537-L579 HydrophobicContact CB-CD1 4.08Å; L537-L579 HydrophobicContact CD2-CD1 3.74Å; L537-L579 HydrophobicContact CG-CD1 3.85Å; R538-L579 HydrophobicContact CB-CD2 3.79Å; R538-L579 HydrophobicContact CG-CD2 4.04Å; L541-L579 HydrophobicContact CD1-CB 3.77Å; L541-L579 HydrophobicContact CD1-CD2 4.39Å; L541-L579 WeakPolarHBondContact CD1-O 3.2Å; K559-L579 PolarHBondContact NZ-O 3.48Å; Y573-L579 HydrophobicContact CD1-CD1 4.28Å; Y573-L579 HydrophobicContact CE1-CD1 3.76Å; Y573-L579 HydrophobicContact CE2-CD1 4.15Å; I574-L579 HydrophobicContact CG1-CD1 4.45Å; I574-L579 HydrophobicContact CG2-CB 4.27Å; I574-L579 PolarHBondContact O-N 3.23Å; S577-L579 WeakPolarHBondContact O-CD2 3.43Å; S577-L579 PolarHBondContact O-N 3.44Å
580F98.4Very high96.3Very high0 Ų045.9 Ų45.90%022%0.22CC..THydrogen-bonded Turntrans-80.7-21.2165.5-77.1-79.9000113.7I563 I574 F578 V583 V584 M604 F605 I608 L616 H619 V620 Y624I563-F580 HydrophobicContact CD1-CE1 4.28Å; I563-F580 HydrophobicContact CD1-CZ 4.13Å; I574-F580 HydrophobicContact CG2-CD2 3.75Å; I574-F580 HydrophobicContact CG2-CE2 3.45Å; I574-F580 VanDerWaalsContact CG2-CE2 3.45Å; I574-F580 HydrophobicContact CG2-CZ 4.27Å; F578-F580 PolarHBondContact O-N 3.45Å; F580-V583 PolarHBondContact O-N 3.44Å; F580-V584 WeakPolarHBondContact O-CG2 3.46Å; F580-V584 PolarHBondContact O-N 3.26Å; F580-M604 HydrophobicContact CD1-CE 4.28Å; F580-M604 HydrophobicContact CE1-CE 3.97Å; F580-F605 AromaticContact CD1-CE1 3.76Å; F580-F605 HydrophobicContact CD1-CE1 3.76Å; F580-F605 AromaticContact CD1-CZ 3.85Å; F580-F605 HydrophobicContact CD1-CZ 3.85Å; F580-F605 AromaticContact CE1-CE1 3.82Å; F580-F605 HydrophobicContact CE1-CE1 3.82Å; F580-F605 HydrophobicContact CE1-CZ 4.26Å; F580-I608 HydrophobicContact CE1-CD1 3.82Å; F580-I608 HydrophobicContact CZ-CD1 3.68Å; F580-L616 HydrophobicContact CE2-CD2 4.12Å; F580-L616 HydrophobicContact CZ-CD1 4.34Å; F580-H619 AromaticContact CD2-CD2 3.66Å; F580-V620 HydrophobicContact CD1-CG2 4.13Å; F580-V620 HydrophobicContact CD2-CG2 4.03Å; F580-V620 HydrophobicContact CE1-CG2 4.01Å; F580-V620 HydrophobicContact CE2-CG2 3.86Å; F580-V620 HydrophobicContact CG-CG2 4.14Å; F580-V620 HydrophobicContact CZ-CG2 3.86Å; F580-Y624 HydrophobicContact CB-CD2 4.14Å; F580-Y624 HydrophobicContact CB-CE2 3.54Å
581E97.6Very high95.3Very high118 Ų11847.7 Ų47.755%0.55124%0.239SC*.Hα-helixtrans-55.9-48.3-175.8178178.2-171.900113.3F578 V583 V584 K585 Y624F578-E581 WeakPolarHBondContact O-CB 3.45Å; F578-E581 PolarHBondContact O-N 2.81Å; E581-V583 VanDerWaalsContact C-N 3.26Å; E581-V583 PolarHBondContact O-N 2.9Å; E581-V584 PolarHBondContact O-N 3.48Å; E581-K585 VanDerWaalsContact O-CB 3.29Å; E581-K585 WeakPolarHBondContact O-CB 3.35Å; E581-K585 PolarHBondContact O-N 3.48Å; E581-Y624 HydrophobicContact CB-CE1 3.96Å; E581-Y624 PolarHBondContact N-OH 3.43Å; E581-Y624 VanDerWaalsContact N-OH 3.16Å
582P97Very high94.3Very high43 Ų4352.7 Ų52.728%0.27927%0.274SS..Hα-helixtrans-61.8-34.2177.5-23.735.4000113L541 A586L541-P582 HydrophobicContact CB-CB 4.06Å; L541-P582 HydrophobicContact CB-CG 4.03Å; P582-A586 WeakPolarHBondContact O-CB 3.47Å; P582-A586 PolarHBondContact O-N 3.4Å
583V97.7Very high93.3Very high0 Ų055.9 Ų55.90%029%0.286CS..Hα-helixtrans-72.6-45179.7-176.30000111.3L541 L556 K559 F580 E581 K585 A586 F587 I601 M604 F605L541-V583 HydrophobicContact CD2-CG2 3.94Å; L556-V583 HydrophobicContact CD1-CG1 4.04Å; L556-V583 HydrophobicContact CD1-CG2 4.49Å; K559-V583 HydrophobicContact CD-CG2 3.87Å; F580-V583 PolarHBondContact O-N 3.44Å; E581-V583 VanDerWaalsContact C-N 3.26Å; E581-V583 PolarHBondContact O-N 2.9Å; V583-K585 VanDerWaalsContact C-N 3.32Å; V583-K585 PolarHBondContact O-N 3.05Å; V583-A586 PolarHBondContact O-N 3.36Å; V583-F587 WeakPolarHBondContact O-CB 3.45Å; V583-F587 PolarHBondContact O-N 3.3Å; V583-I601 HydrophobicContact CG1-CD1 4.24Å; V583-I601 HydrophobicContact CG1-CG1 4.04Å; V583-I601 HydrophobicContact CG1-CG2 3.77Å; V583-M604 HydrophobicContact CB-CE 4.47Å; V583-M604 HydrophobicContact CG1-CE 3.72Å; V583-M604 HydrophobicContact CG2-CE 4.5Å; V583-F605 HydrophobicContact CG1-CE2 4.46Å
584V96.9Very high92.6Very high5 Ų564.7 Ų64.73%0.0332%0.321CS..Hα-helixtrans-63.6-42176.4174.30000109.9F580 E581 A586 F587 L588 F605 Y624 A627 L628F580-V584 WeakPolarHBondContact O-CG2 3.46Å; F580-V584 PolarHBondContact O-N 3.26Å; E581-V584 PolarHBondContact O-N 3.48Å; V584-A586 PolarHBondContact O-N 3.34Å; V584-F587 WeakPolarHBondContact O-CB 3.39Å; V584-F587 PolarHBondContact O-N 2.83Å; V584-L588 HydrophobicContact CG1-CD1 4.04Å; V584-L588 HydrophobicContact CG1-CG 4.33Å; V584-L588 VanDerWaalsContact O-CG 3.27Å; V584-L588 WeakPolarHBondContact O-CG 3.27Å; V584-L588 PolarHBondContact O-N 3.34Å; V584-F605 HydrophobicContact CG2-CZ 4.12Å; V584-Y624 HydrophobicContact CB-CD1 4.14Å; V584-Y624 HydrophobicContact CG1-CD1 4.17Å; V584-Y624 HydrophobicContact CG2-CD1 3.88Å; V584-Y624 HydrophobicContact CG2-CE1 4.46Å; V584-Y624 HydrophobicContact CG2-CG 3.95Å; V584-A627 HydrophobicContact CG1-CB 4.28Å; V584-L628 HydrophobicContact CG1-CD2 4.41Å
585K95.4Very high92.2Very high124 Ų12467.2 Ų67.254%0.53933%0.334SS..Hα-helixtrans-59.6-45.4174.4-173.2177.2-178.1177.60112.1E581 V583 F587 L588 N589E581-K585 VanDerWaalsContact O-CB 3.29Å; E581-K585 WeakPolarHBondContact O-CB 3.35Å; E581-K585 PolarHBondContact O-N 3.48Å; V583-K585 VanDerWaalsContact C-N 3.32Å; V583-K585 PolarHBondContact O-N 3.05Å; K585-F587 VanDerWaalsContact C-N 3.34Å; K585-F587 PolarHBondContact O-N 3.24Å; K585-L588 PolarHBondContact O-N 2.87Å; K585-N589 WeakPolarHBondContact O-CB 3.34Å; K585-N589 PolarHBondContact O-N 3.33Å; K585-N589 PolarHBondContact O-ND2 2.91Å
586A94.6Very high92Very high10 Ų1071 Ų718%0.08336%0.355CS..Hα-helixtrans-63.8-38176.300000112.6M544 P582 V583 V584 N590 I601M544-A586 HydrophobicContact CB-CB 4.33Å; M544-A586 HydrophobicContact CE-CB 3.66Å; P582-A586 WeakPolarHBondContact O-CB 3.47Å; P582-A586 PolarHBondContact O-N 3.4Å; V583-A586 PolarHBondContact O-N 3.36Å; V584-A586 PolarHBondContact O-N 3.34Å; A586-N590 PolarHBondContact O-N 2.85Å; A586-N590 PolarHBondContact O-ND2 3.37Å; A586-I601 HydrophobicContact CB-CD1 4.45Å
587F95.2Very high91.9Very high5 Ų566.2 Ų66.22%0.02234%0.335CS..Hα-helixtrans-62.3-50.9174.7178.3-97.9000111.7V583 V584 K585 N589 N590 G591 N598 I601 I602 L628 V631 Y633 F637V583-F587 WeakPolarHBondContact O-CB 3.45Å; V583-F587 PolarHBondContact O-N 3.3Å; V584-F587 WeakPolarHBondContact O-CB 3.39Å; V584-F587 PolarHBondContact O-N 2.83Å; K585-F587 VanDerWaalsContact C-N 3.34Å; K585-F587 PolarHBondContact O-N 3.24Å; F587-N589 VanDerWaalsContact C-N 3.31Å; F587-N589 PolarHBondContact O-N 3.28Å; F587-N590 WeakPolarHBondContact O-CB 3.4Å; F587-N590 PolarHBondContact O-N 3.32Å; F587-N590 VanDerWaalsContact O-N 3.11Å; F587-G591 PolarHBondContact O-N 3.44Å; F587-N598 WeakPolarHBondContact CD2-OD1 3.34Å; F587-N598 WeakPolarHBondContact CE2-OD1 3.3Å; F587-I601 HydrophobicContact CB-CD1 3.98Å; F587-I601 HydrophobicContact CB-CG2 4.11Å; F587-I601 HydrophobicContact CD2-CB 4.2Å; F587-I601 HydrophobicContact CD2-CG2 3.79Å; F587-I601 HydrophobicContact CG-CG2 4.26Å; F587-I602 HydrophobicContact CE2-CD1 4.13Å; F587-I602 HydrophobicContact CE2-CG1 3.79Å; F587-L628 HydrophobicContact CD1-CD2 3.97Å; F587-L628 HydrophobicContact CE1-CD2 3.95Å; F587-V631 HydrophobicContact CE1-CG2 3.62Å; F587-V631 HydrophobicContact CZ-CG1 4.15Å; F587-V631 HydrophobicContact CZ-CG2 3.89Å; F587-Y633 WeakPolarHBondContact CZ-OH 3.33Å; F587-F637 HydrophobicContact CE1-CE2 4.17Å; F587-F637 HydrophobicContact CE1-CZ 4.26Å; F587-F637 HydrophobicContact CE2-CE2 4.16Å; F587-F637 HydrophobicContact CE2-CZ 4.17Å; F587-F637 AromaticContact CZ-CE2 3.62Å; F587-F637 HydrophobicContact CZ-CE2 3.62Å; F587-F637 AromaticContact CZ-CZ 3.91Å; F587-F637 HydrophobicContact CZ-CZ 3.91Å
588L93.4Very high91.9Very high83 Ų8365 Ų6544%0.43533%0.326SS..Hα-helixtrans-62.6-37.6178.8-64173.1000112.3V584 K585 N590 G591 A627V584-L588 HydrophobicContact CG1-CD1 4.04Å; V584-L588 HydrophobicContact CG1-CG 4.33Å; V584-L588 VanDerWaalsContact O-CG 3.27Å; V584-L588 WeakPolarHBondContact O-CG 3.27Å; V584-L588 PolarHBondContact O-N 3.34Å; K585-L588 PolarHBondContact O-N 2.87Å; L588-N590 VanDerWaalsContact C-N 3.26Å; L588-N590 PolarHBondContact O-N 3.14Å; L588-G591 PolarHBondContact O-N 2.89Å; L588-A627 HydrophobicContact CD1-CB 4.05Å; L588-A627 WeakPolarHBondContact CD2-O 3.05Å
589N91.1Very high91.7Very high124 Ų12462.7 Ų62.766%0.66332%0.321SS*.Hα-helixtrans-65.6-26.9176.5-72.1-15.4000113.2K585 F587 G591K585-N589 WeakPolarHBondContact O-CB 3.34Å; K585-N589 PolarHBondContact O-N 3.33Å; K585-N589 PolarHBondContact O-ND2 2.91Å; F587-N589 VanDerWaalsContact C-N 3.31Å; F587-N589 PolarHBondContact O-N 3.28Å; N589-G591 VanDerWaalsContact C-N 3.27Å
590N87.7Confident91.7Very high32 Ų3263.9 Ų63.917%0.17133%0.332CS..Hα-helixtrans-75.3-17.8172.4-84.4-81.1000112.3A586 F587 L588 R593 N595A586-N590 PolarHBondContact O-N 2.85Å; A586-N590 PolarHBondContact O-ND2 3.37Å; F587-N590 WeakPolarHBondContact O-CB 3.4Å; F587-N590 PolarHBondContact O-N 3.32Å; F587-N590 VanDerWaalsContact O-N 3.11Å; L588-N590 VanDerWaalsContact C-N 3.26Å; L588-N590 PolarHBondContact O-N 3.14Å; N590-R593 VanDerWaalsContact O-CB 3.24Å; N590-R593 WeakPolarHBondContact O-CB 3.29Å; N590-R593 WeakPolarHBondContact O-CD 3.48Å; N590-R593 WeakPolarHBondContact O-CG 3.27Å; N590-R593 PolarHBondContact O-N 2.9Å; N590-N595 PolarHBondContact OD1-ND2 3.27Å
591G78.9Confident91.6Very high39 Ų3963.9 Ų63.940%0.40233%0.332SS..THydrogen-bonded Turntrans59.5-144-177.800000112.2F587 L588 N589 R593F587-G591 PolarHBondContact O-N 3.44Å; L588-G591 PolarHBondContact O-N 2.89Å; N589-G591 VanDerWaalsContact C-N 3.27Å; G591-R593 PolarHBondContact O-N 2.98Å
592S75.7Confident91.6Very high105 Ų10559.2 Ų59.273%0.73431%0.31SS*.THydrogen-bonded Turntrans-8315.617656.50000113.9Y594S592-Y594 PolarHBondContact O-N 3.16Å
593R77.1Confident91.6Very high177 Ų17761.2 Ų61.267%0.66832%0.316SS*.  trans-68.2123.5-178.7-65.7176.6-176.6-1721.4110N590 G591 N595 N598N590-R593 VanDerWaalsContact O-CB 3.24Å; N590-R593 WeakPolarHBondContact O-CB 3.29Å; N590-R593 WeakPolarHBondContact O-CD 3.48Å; N590-R593 WeakPolarHBondContact O-CG 3.27Å; N590-R593 PolarHBondContact O-N 2.9Å; G591-R593 PolarHBondContact O-N 2.98Å; R593-N595 PolarHBondContact O-N 3.48Å; R593-N595 VanDerWaalsContact O-N 3.16Å; R593-N598 WeakPolarHBondContact O-CB 3.42Å; R593-N598 PolarHBondContact O-ND2 2.87Å
594Y83.4Confident91.6Very high206 Ų20661.2 Ų61.281%0.80832%0.316SS*.  trans-79.294.3171.7-170.9-102.2000109.5S592S592-Y594 PolarHBondContact O-N 3.16Å
595N90.6Very high91.7Very high52 Ų5261 Ų6128%0.27832%0.315SS..SBendtrans-138.9174.117967.522.4000111.5N590 R593 M597 N598 S599N590-N595 PolarHBondContact OD1-ND2 3.27Å; R593-N595 PolarHBondContact O-N 3.48Å; R593-N595 VanDerWaalsContact O-N 3.16Å; N595-M597 VanDerWaalsContact C-N 3.33Å; N595-M597 PolarHBondContact O-N 3.18Å; N595-M597 PolarHBondContact OD1-N 3.49Å; N595-N598 PolarHBondContact O-N 2.89Å; N595-N598 VanDerWaalsContact OD1-CB 3.25Å; N595-N598 WeakPolarHBondContact OD1-CB 3.34Å; N595-N598 PolarHBondContact OD1-N 2.86Å; N595-S599 WeakPolarHBondContact O-CB 3.45Å; N595-S599 PolarHBondContact O-N 3.36Å; N595-S599 PolarHBondContact O-OG 3.41Å
596L94.3Very high91.8Very high123 Ų12357.6 Ų57.664%0.64430%0.301SS*.Hα-helixtrans-60.7-40.9-178.4-178.258.5000112.4L553 S599 A600L553-L596 HydrophobicContact CD1-CD2 3.54Å; L553-L596 HydrophobicContact CD1-CG 3.91Å; L553-L596 HydrophobicContact CD2-CG 4.25Å; L596-S599 PolarHBondContact O-N 3.09Å; L596-A600 VanDerWaalsContact O-CB 3.3Å; L596-A600 WeakPolarHBondContact O-CB 3.2Å; L596-A600 PolarHBondContact O-N 2.98Å
597M94.6Very high92Very high18 Ų1858.7 Ų58.79%0.08930%0.304CS..Hα-helixtrans-60.3-49.9178-176.960.471.300111.6M544 A552 L553 L556 N595 S599 A600 I601M544-M597 HydrophobicContact CE-SD 4.12Å; A552-M597 HydrophobicContact CB-CE 3.36Å; L553-M597 HydrophobicContact CD2-CE 3.97Å; L553-M597 HydrophobicContact CD2-SD 4.04Å; L553-M597 HydrophobicContact CG-CE 3.79Å; L556-M597 HydrophobicContact CD2-SD 4.24Å; N595-M597 VanDerWaalsContact C-N 3.33Å; N595-M597 PolarHBondContact O-N 3.18Å; N595-M597 PolarHBondContact OD1-N 3.49Å; M597-S599 VanDerWaalsContact C-N 3.35Å; M597-S599 PolarHBondContact O-N 3.31Å; M597-A600 PolarHBondContact O-N 3.43Å; M597-I601 HydrophobicContact CG-CD1 4.08Å; M597-I601 WeakPolarHBondContact O-CG1 3.39Å; M597-I601 PolarHBondContact O-N 3.02Å; M597-I601 HydrophobicContact SD-CD1 4.12Å; M597-I601 HydrophobicContact SD-CG1 4.39Å
598N94Very high92.2Very high2 Ų258.4 Ų58.41%0.01130%0.303CS..Hα-helixtrans-60.8-46.4179.3-167.25.4000110.9F587 R593 N595 A600 I601 I602 Y633F587-N598 WeakPolarHBondContact CD2-OD1 3.34Å; F587-N598 WeakPolarHBondContact CE2-OD1 3.3Å; R593-N598 WeakPolarHBondContact O-CB 3.42Å; R593-N598 PolarHBondContact O-ND2 2.87Å; N595-N598 PolarHBondContact O-N 2.89Å; N595-N598 VanDerWaalsContact OD1-CB 3.25Å; N595-N598 WeakPolarHBondContact OD1-CB 3.34Å; N595-N598 PolarHBondContact OD1-N 2.86Å; N598-A600 PolarHBondContact O-N 3.4Å; N598-I601 PolarHBondContact O-N 3.02Å; N598-I602 VanDerWaalsContact O-CG1 3.26Å; N598-I602 WeakPolarHBondContact O-CG1 3.33Å; N598-I602 PolarHBondContact O-N 3.39Å; N598-I602 WeakPolarHBondContact OD1-CD1 3.49Å; N598-Y633 PolarHBondContact ND2-OH 3.48Å; N598-Y633 PolarHBondContact OD1-OH 2.93Å
599S95Very high92.4Very high47 Ų4757.3 Ų57.333%0.32929%0.292SS..Hα-helixtrans-61.4-43178.2-54.60000112.6N595 L596 M597 I602 E603N595-S599 WeakPolarHBondContact O-CB 3.45Å; N595-S599 PolarHBondContact O-N 3.36Å; N595-S599 PolarHBondContact O-OG 3.41Å; L596-S599 PolarHBondContact O-N 3.09Å; M597-S599 VanDerWaalsContact C-N 3.35Å; M597-S599 PolarHBondContact O-N 3.31Å; S599-I602 PolarHBondContact O-N 2.9Å; S599-E603 PolarHBondContact O-N 3.47Å
600A96.7Very high92.6Very high28 Ų2855.2 Ų55.223%0.23128%0.284CS..Hα-helixtrans-67.5-37.7178.800000112.5L553 L556 L596 M597 N598 E603 M604L553-A600 HydrophobicContact CD2-CB 4Å; L556-A600 HydrophobicContact CD2-CB 3.6Å; L596-A600 VanDerWaalsContact O-CB 3.3Å; L596-A600 WeakPolarHBondContact O-CB 3.2Å; L596-A600 PolarHBondContact O-N 2.98Å; M597-A600 PolarHBondContact O-N 3.43Å; N598-A600 PolarHBondContact O-N 3.4Å; A600-E603 PolarHBondContact O-N 3.19Å; A600-M604 PolarHBondContact O-N 3.45Å; A600-M604 VanDerWaalsContact O-N 3.13Å
601I97.4Very high93.1Very high0 Ų057.6 Ų57.60%029%0.294CS..Hα-helixtrans-66.2-44.5175.3-67.1171.4000110.2M544 L556 V583 A586 F587 M597 N598 E603 M604 F605M544-I601 HydrophobicContact CE-CD1 4.33Å; L556-I601 HydrophobicContact CD1-CG1 4.09Å; L556-I601 HydrophobicContact CD2-CB 4.44Å; L556-I601 HydrophobicContact CD2-CG1 3.55Å; L556-I601 HydrophobicContact CG-CG1 4.48Å; V583-I601 HydrophobicContact CG1-CD1 4.24Å; V583-I601 HydrophobicContact CG1-CG1 4.04Å; V583-I601 HydrophobicContact CG1-CG2 3.77Å; A586-I601 HydrophobicContact CB-CD1 4.45Å; F587-I601 HydrophobicContact CB-CD1 3.98Å; F587-I601 HydrophobicContact CB-CG2 4.11Å; F587-I601 HydrophobicContact CD2-CB 4.2Å; F587-I601 HydrophobicContact CD2-CG2 3.79Å; F587-I601 HydrophobicContact CG-CG2 4.26Å; M597-I601 HydrophobicContact CG-CD1 4.08Å; M597-I601 WeakPolarHBondContact O-CG1 3.39Å; M597-I601 PolarHBondContact O-N 3.02Å; M597-I601 HydrophobicContact SD-CD1 4.12Å; M597-I601 HydrophobicContact SD-CG1 4.39Å; N598-I601 PolarHBondContact O-N 3.02Å; I601-E603 VanDerWaalsContact C-N 3.33Å; I601-E603 PolarHBondContact O-N 2.97Å; I601-M604 PolarHBondContact O-N 2.99Å; I601-F605 HydrophobicContact CG2-CD2 3.8Å; I601-F605 HydrophobicContact CG2-CE2 3.61Å; I601-F605 VanDerWaalsContact O-CD2 3.25Å; I601-F605 WeakPolarHBondContact O-CD2 3.38Å; I601-F605 PolarHBondContact O-N 3.41Å
602I96.6Very high93.9Very high20 Ų2058.2 Ų58.210%0.10329%0.288CS..Hα-helixtrans-60.7-43.4176.8-67.1165000110.4F587 N598 S599 M604 F605 E606 Y633 V634 T636 F637F587-I602 HydrophobicContact CE2-CD1 4.13Å; F587-I602 HydrophobicContact CE2-CG1 3.79Å; N598-I602 VanDerWaalsContact O-CG1 3.26Å; N598-I602 WeakPolarHBondContact O-CG1 3.33Å; N598-I602 PolarHBondContact O-N 3.39Å; N598-I602 WeakPolarHBondContact OD1-CD1 3.49Å; S599-I602 PolarHBondContact O-N 2.9Å; I602-M604 VanDerWaalsContact C-N 3.31Å; I602-M604 PolarHBondContact O-N 3.24Å; I602-F605 PolarHBondContact O-N 3.45Å; I602-E606 VanDerWaalsContact O-CB 3.25Å; I602-E606 WeakPolarHBondContact O-CB 3.48Å; I602-E606 PolarHBondContact O-N 3.48Å; I602-Y633 HydrophobicContact CD1-CE2 3.84Å; I602-V634 HydrophobicContact CD1-CG1 4.12Å; I602-V634 HydrophobicContact CD1-CG2 4.12Å; I602-V634 HydrophobicContact CG1-CG2 4.48Å; I602-V634 HydrophobicContact CG2-CG1 4.42Å; I602-V634 HydrophobicContact CG2-CG2 4.34Å; I602-T636 HydrophobicContact CG2-CG2 4.39Å; I602-F637 HydrophobicContact CG1-CE2 4.49Å
603E97.3Very high94.9Very high86 Ų8653.5 Ų53.540%0.40226%0.255SS..Hα-helixtrans-57.2-42.7175.3-173.2-76.815200111.9R560 S599 A600 I601 F605 E606 F607R560-E603 WeakPolarHBondContact CD-OE2 3.27Å; R560-E603 IonicContact CZ-OE1 3.84Å; R560-E603 IonicContact CZ-OE2 2.93Å; R560-E603 IonicContact NE-OE1 2.86Å; R560-E603 PolarHBondContact NE-OE1 3.29Å; R560-E603 IonicContact NE-OE2 3.54Å; R560-E603 PolarHBondContact NE-OE2 3.38Å; R560-E603 IonicContact NH2-OE1 3.89Å; R560-E603 PolarHBondContact NH2-OE1 2.93Å; R560-E603 IonicContact NH2-OE2 3.27Å; S599-E603 PolarHBondContact O-N 3.47Å; A600-E603 PolarHBondContact O-N 3.19Å; I601-E603 VanDerWaalsContact C-N 3.33Å; I601-E603 PolarHBondContact O-N 2.97Å; E603-F605 PolarHBondContact O-N 2.85Å; E603-E606 CarbonylContact O-C 3.56Å; E603-E606 WeakPolarHBondContact O-CB 3.38Å; E603-E606 PolarHBondContact O-N 3.11Å; E603-F607 PolarHBondContact O-N 3.17Å
604M98.5Very high95.8Very high0 Ų050.7 Ų50.70%025%0.247CC..Hα-helixtrans-61.4-43.5178.6-177.1-171.567.400112.1L556 K559 R560 I563 F580 V583 A600 I601 I602 F607 I608L556-M604 HydrophobicContact CD1-CE 4.23Å; L556-M604 HydrophobicContact CD1-SD 3.92Å; K559-M604 HydrophobicContact CD-SD 4.1Å; K559-M604 HydrophobicContact CG-SD 4.2Å; R560-M604 HydrophobicContact CB-CG 4.42Å; I563-M604 HydrophobicContact CD1-CG 4.02Å; I563-M604 HydrophobicContact CD1-SD 3.73Å; F580-M604 HydrophobicContact CD1-CE 4.28Å; F580-M604 HydrophobicContact CE1-CE 3.97Å; V583-M604 HydrophobicContact CB-CE 4.47Å; V583-M604 HydrophobicContact CG1-CE 3.72Å; V583-M604 HydrophobicContact CG2-CE 4.5Å; A600-M604 PolarHBondContact O-N 3.45Å; A600-M604 VanDerWaalsContact O-N 3.13Å; I601-M604 PolarHBondContact O-N 2.99Å; I602-M604 VanDerWaalsContact C-N 3.31Å; I602-M604 PolarHBondContact O-N 3.24Å; M604-F607 PolarHBondContact O-N 3.16Å; M604-I608 WeakPolarHBondContact O-CG1 3.35Å; M604-I608 PolarHBondContact O-N 2.91Å
605F98.5Very high96.4Very high1 Ų142 Ų420%0.00422%0.217CC..Hα-helixtrans-69.3-35.4175.5-76.4-67.7000112.3F580 V583 V584 I601 I602 E603 F607 I608 R609 V620 T636 F637 L640F580-F605 AromaticContact CD1-CE1 3.76Å; F580-F605 HydrophobicContact CD1-CE1 3.76Å; F580-F605 AromaticContact CD1-CZ 3.85Å; F580-F605 HydrophobicContact CD1-CZ 3.85Å; F580-F605 AromaticContact CE1-CE1 3.82Å; F580-F605 HydrophobicContact CE1-CE1 3.82Å; F580-F605 HydrophobicContact CE1-CZ 4.26Å; V583-F605 HydrophobicContact CG1-CE2 4.46Å; V584-F605 HydrophobicContact CG2-CZ 4.12Å; I601-F605 HydrophobicContact CG2-CD2 3.8Å; I601-F605 HydrophobicContact CG2-CE2 3.61Å; I601-F605 VanDerWaalsContact O-CD2 3.25Å; I601-F605 WeakPolarHBondContact O-CD2 3.38Å; I601-F605 PolarHBondContact O-N 3.41Å; I602-F605 PolarHBondContact O-N 3.45Å; E603-F605 PolarHBondContact O-N 2.85Å; F605-F607 VanDerWaalsContact C-N 3.35Å; F605-I608 HydrophobicContact CD1-CD1 4.27Å; F605-I608 PolarHBondContact O-N 2.71Å; F605-R609 PolarHBondContact O-N 3.15Å; F605-R609 VanDerWaalsContact O-N 3.08Å; F605-V620 HydrophobicContact CD1-CG1 4.1Å; F605-V620 HydrophobicContact CD1-CG2 4.34Å; F605-V620 HydrophobicContact CE1-CB 4.45Å; F605-V620 HydrophobicContact CE1-CG1 3.72Å; F605-V620 HydrophobicContact CE1-CG2 3.79Å; F605-T636 HydrophobicContact CB-CG2 3.83Å; F605-F637 HydrophobicContact CB-CE1 4.08Å; F605-F637 HydrophobicContact CD1-CE1 4.26Å; F605-F637 AromaticContact CD2-CE1 3.64Å; F605-F637 HydrophobicContact CD2-CE1 3.64Å; F605-F637 AromaticContact CD2-CZ 3.92Å; F605-F637 HydrophobicContact CD2-CZ 3.92Å; F605-F637 HydrophobicContact CE2-CE1 4.08Å; F605-F637 HydrophobicContact CE2-CZ 4.4Å; F605-F637 AromaticContact CG-CE1 3.74Å; F605-F637 HydrophobicContact CG-CE1 3.74Å; F605-F637 HydrophobicContact CG-CZ 4.38Å; F605-L640 HydrophobicContact CB-CD1 3.92Å; F605-L640 HydrophobicContact CD1-CD1 4.04Å; F605-L640 HydrophobicContact CG-CD1 4.38Å
606E98Very high96.8Very high51 Ų5139.6 Ų39.624%0.23820%0.204CC..Hα-helixtrans-64.9-40175.3-176.161.4-166.500111.2I602 E603 R609 V610 T636I602-E606 VanDerWaalsContact O-CB 3.25Å; I602-E606 WeakPolarHBondContact O-CB 3.48Å; I602-E606 PolarHBondContact O-N 3.48Å; E603-E606 CarbonylContact O-C 3.56Å; E603-E606 WeakPolarHBondContact O-CB 3.38Å; E603-E606 PolarHBondContact O-N 3.11Å; E606-R609 WeakPolarHBondContact O-CB 3.49Å; E606-R609 PolarHBondContact O-N 3.39Å; E606-R609 IonicContact OE1-CZ 3.75Å; E606-R609 VanDerWaalsContact OE1-CZ 3.3Å; E606-R609 IonicContact OE1-NE 2.89Å; E606-R609 PolarHBondContact OE1-NE 3.19Å; E606-R609 IonicContact OE1-NH2 2.54Å; E606-R609 PolarHBondContact OE1-NH2 3.48Å; E606-R609 IonicContact OE2-CZ 3.76Å; E606-R609 IonicContact OE2-NE 3.3Å; E606-R609 PolarHBondContact OE2-NE 2.89Å; E606-R609 IonicContact OE2-NH2 2.62Å; E606-V610 HydrophobicContact CG-CG2 4.26Å; E606-V610 WeakPolarHBondContact O-CB 3.37Å; E606-V610 VanDerWaalsContact O-CG2 3.28Å; E606-V610 WeakPolarHBondContact O-CG2 3.21Å; E606-V610 PolarHBondContact O-N 3.39Å; E606-V610 WeakPolarHBondContact OE1-CG2 3.49Å; E606-T636 HydrophobicContact CB-CG2 3.9Å; E606-T636 WeakPolarHBondContact OE2-CB 3.15Å; E606-T636 WeakPolarHBondContact OE2-CG2 3.42Å; E606-T636 PolarHBondContact OE2-OG1 3.19Å
607F98.6Very high96.9Very high33 Ų3333.7 Ų33.715%0.14517%0.173CC..Hα-helixtrans-61.5-46.2173179.4-98.7000112.1R560 I563 E603 M604 F605 R609 V610 E611 I613R560-F607 VanDerWaalsContact CZ-CD1 3.48Å; R560-F607 VanDerWaalsContact NH1-CE1 3.25Å; I563-F607 HydrophobicContact CG2-CD1 4.06Å; I563-F607 HydrophobicContact CG2-CE1 4.21Å; E603-F607 PolarHBondContact O-N 3.17Å; M604-F607 PolarHBondContact O-N 3.16Å; F605-F607 VanDerWaalsContact C-N 3.35Å; F607-R609 PolarHBondContact O-N 3.09Å; F607-V610 PolarHBondContact O-N 2.75Å; F607-E611 HydrophobicContact CD1-CG 4.25Å; F607-E611 HydrophobicContact CD2-CG 3.64Å; F607-E611 HydrophobicContact CE1-CB 4.5Å; F607-E611 HydrophobicContact CE1-CG 4.01Å; F607-E611 HydrophobicContact CE2-CG 3.42Å; F607-E611 VanDerWaalsContact CE2-CG 3.42Å; F607-E611 HydrophobicContact CG-CG 4.1Å; F607-E611 HydrophobicContact CZ-CG 3.63Å; F607-E611 VanDerWaalsContact O-CB 3.29Å; F607-E611 WeakPolarHBondContact O-CB 3.42Å; F607-E611 WeakPolarHBondContact O-CG 3.39Å; F607-E611 PolarHBondContact O-N 2.87Å; F607-I613 HydrophobicContact CD1-CD1 4.2Å; F607-I613 HydrophobicContact CE1-CD1 3.96Å
608I98.5Very high97Very high0 Ų033.9 Ų33.90%018%0.178CC..Hα-helixtrans-54.5-41.7175-67.6167.6000110.5I563 F580 M604 F605 D612 I613 L616 L640I563-I608 HydrophobicContact CD1-CD1 4.33Å; I563-I608 HydrophobicContact CG2-CD1 4.46Å; I563-I608 HydrophobicContact CG2-CG1 3.87Å; F580-I608 HydrophobicContact CE1-CD1 3.82Å; F580-I608 HydrophobicContact CZ-CD1 3.68Å; M604-I608 WeakPolarHBondContact O-CG1 3.35Å; M604-I608 PolarHBondContact O-N 2.91Å; F605-I608 HydrophobicContact CD1-CD1 4.27Å; F605-I608 PolarHBondContact O-N 2.71Å; I608-D612 PolarHBondContact O-N 3.06Å; I608-I613 HydrophobicContact CG1-CD1 4.41Å; I608-I613 HydrophobicContact CG2-CB 4.31Å; I608-I613 PolarHBondContact O-N 2.63Å; I608-I613 VanDerWaalsContact O-N 3.1Å; I608-L616 HydrophobicContact CD1-CB 4.49Å; I608-L616 HydrophobicContact CD1-CD1 4.33Å; I608-L616 HydrophobicContact CG1-CD1 4.35Å; I608-L616 HydrophobicContact CG2-CB 4.08Å; I608-L640 HydrophobicContact CB-CD2 4.48Å; I608-L640 HydrophobicContact CG2-CD2 3.99Å
609R97.5Very high97.2Very high59 Ų5934.4 Ų34.422%0.22318%0.18CC..Hα-helixtrans-69.7-46.2-179.9-168-168.872.575.1-2.7113.2F605 E606 F607 L640 R643F605-R609 PolarHBondContact O-N 3.15Å; F605-R609 VanDerWaalsContact O-N 3.08Å; E606-R609 WeakPolarHBondContact O-CB 3.49Å; E606-R609 PolarHBondContact O-N 3.39Å; E606-R609 IonicContact OE1-CZ 3.75Å; E606-R609 VanDerWaalsContact OE1-CZ 3.3Å; E606-R609 IonicContact OE1-NE 2.89Å; E606-R609 PolarHBondContact OE1-NE 3.19Å; E606-R609 IonicContact OE1-NH2 2.54Å; E606-R609 PolarHBondContact OE1-NH2 3.48Å; E606-R609 IonicContact OE2-CZ 3.76Å; E606-R609 IonicContact OE2-NE 3.3Å; E606-R609 PolarHBondContact OE2-NE 2.89Å; E606-R609 IonicContact OE2-NH2 2.62Å; F607-R609 PolarHBondContact O-N 3.09Å; R609-L640 HydrophobicContact CB-CD2 3.63Å; R609-L640 HydrophobicContact CB-CG 3.86Å; R609-L640 HydrophobicContact CG-CD2 4.08Å; R609-L640 HydrophobicContact CG-CG 4.07Å; R609-R643 HydrophobicContact CG-CG 4.19Å
610V96.9Very high97.4Very high80 Ų8032.2 Ų32.249%0.48516%0.164SC..Hα-helixtrans-70.8-42.5-175.9168.70000110.3E606 F607 D612E606-V610 HydrophobicContact CG-CG2 4.26Å; E606-V610 WeakPolarHBondContact O-CB 3.37Å; E606-V610 VanDerWaalsContact O-CG2 3.28Å; E606-V610 WeakPolarHBondContact O-CG2 3.21Å; E606-V610 PolarHBondContact O-N 3.39Å; E606-V610 WeakPolarHBondContact OE1-CG2 3.49Å; F607-V610 PolarHBondContact O-N 2.75Å; V610-D612 VanDerWaalsContact C-N 3.25Å; V610-D612 PolarHBondContact O-N 2.94Å
611E97.1Very high97.4Very high82 Ų8231.6 Ų31.638%0.38316%0.157SC..THydrogen-bonded Turntrans-820.3179.1-61.9-59.9163.700114.1K566 F607 I613K566-E611 WeakPolarHBondContact CE-OE2 3.48Å; K566-E611 IonicContact NZ-OE2 3.42Å; K566-E611 PolarHBondContact NZ-OE2 2.83Å; F607-E611 HydrophobicContact CD1-CG 4.25Å; F607-E611 HydrophobicContact CD2-CG 3.64Å; F607-E611 HydrophobicContact CE1-CB 4.5Å; F607-E611 HydrophobicContact CE1-CG 4.01Å; F607-E611 HydrophobicContact CE2-CG 3.42Å; F607-E611 VanDerWaalsContact CE2-CG 3.42Å; F607-E611 HydrophobicContact CG-CG 4.1Å; F607-E611 HydrophobicContact CZ-CG 3.63Å; F607-E611 VanDerWaalsContact O-CB 3.29Å; F607-E611 WeakPolarHBondContact O-CB 3.42Å; F607-E611 WeakPolarHBondContact O-CG 3.39Å; F607-E611 PolarHBondContact O-N 2.87Å; E611-I613 VanDerWaalsContact C-N 3.34Å; E611-I613 HydrophobicContact CB-CD1 4.49Å; E611-I613 HydrophobicContact CB-CG1 4.07Å; E611-I613 PolarHBondContact O-N 3.19Å
612D95.3Very high97.4Very high52 Ų5237.9 Ų37.928%0.27819%0.187SC..THydrogen-bonded Turntrans52.446.7178-165.444.6000112.9I608 V610 K614 Q647I608-D612 PolarHBondContact O-N 3.06Å; V610-D612 VanDerWaalsContact C-N 3.25Å; V610-D612 PolarHBondContact O-N 2.94Å; D612-K614 VanDerWaalsContact C-N 3.34Å; D612-K614 WeakPolarHBondContact O-CG 3.35Å; D612-K614 PolarHBondContact O-N 3.07Å; D612-K614 WeakPolarHBondContact OD2-CE 3.46Å; D612-Q647 PolarHBondContact OD1-NE2 2.73Å
613I97.4Very high97.4Very high7 Ų740.5 Ų40.54%0.03620%0.201CC..  trans-75.290.1177.6-47.6177.5000108.4I563 K566 N571 F607 I608 E611 S615 L616 T617I563-I613 HydrophobicContact CG2-CD1 3.75Å; K566-I613 HydrophobicContact CG-CD1 4.08Å; K566-I613 HydrophobicContact CG-CG1 4.38Å; N571-I613 WeakPolarHBondContact ND2-CG2 3.35Å; F607-I613 HydrophobicContact CD1-CD1 4.2Å; F607-I613 HydrophobicContact CE1-CD1 3.96Å; I608-I613 HydrophobicContact CG1-CD1 4.41Å; I608-I613 HydrophobicContact CG2-CB 4.31Å; I608-I613 PolarHBondContact O-N 2.63Å; I608-I613 VanDerWaalsContact O-N 3.1Å; E611-I613 VanDerWaalsContact C-N 3.34Å; E611-I613 HydrophobicContact CB-CD1 4.49Å; E611-I613 HydrophobicContact CB-CG1 4.07Å; E611-I613 PolarHBondContact O-N 3.19Å; I613-S615 PolarHBondContact O-N 3.23Å; I613-L616 HydrophobicContact CB-CB 4.48Å; I613-L616 HydrophobicContact CG2-CB 4.08Å; I613-L616 HydrophobicContact CG2-CD1 3.9Å; I613-L616 HydrophobicContact CG2-CG 3.78Å; I613-L616 PolarHBondContact O-N 2.99Å; I613-T617 WeakPolarHBondContact O-CB 3.47Å; I613-T617 PolarHBondContact O-N 3.46Å; I613-T617 PolarHBondContact O-OG1 2.69Å
614K95.4Very high97.4Very high117 Ų11737.5 Ų37.551%0.50919%0.186SC..Hα-helixtrans-60.8-47.1-166.4-53.8-173.4-178.8166.50113.7D612 L616 T617 A618D612-K614 VanDerWaalsContact C-N 3.34Å; D612-K614 WeakPolarHBondContact O-CG 3.35Å; D612-K614 PolarHBondContact O-N 3.07Å; D612-K614 WeakPolarHBondContact OD2-CE 3.46Å; K614-L616 PolarHBondContact O-N 3.27Å; K614-T617 PolarHBondContact O-N 2.99Å; K614-A618 PolarHBondContact O-N 3.17Å
615S96.8Very high97.3Very high25 Ų2539.5 Ų39.518%0.17519%0.193CC..Hα-helixtrans-58.7-48.5-179.147.70000111.2E568 N571 I613 H619E568-S615 PolarHBondContact OE1-OG 2.91Å; E568-S615 PolarHBondContact OE2-OG 3.35Å; N571-S615 PolarHBondContact ND2-OG 2.73Å; I613-S615 PolarHBondContact O-N 3.23Å; S615-H619 WeakPolarHBondContact O-CB 3.45Å; S615-H619 PolarHBondContact O-N 3.43Å
616L98.1Very high97.2Very high0 Ų048 Ų480%023%0.23CC..Hα-helixtrans-67.8-38.2176.1-58.8-171.4000112.8I563 N571 I574 M575 F580 I608 I613 K614 H619 V620I563-L616 HydrophobicContact CD1-CD1 4.44Å; I563-L616 HydrophobicContact CG1-CD1 4.02Å; I563-L616 HydrophobicContact CG2-CD1 3.94Å; N571-L616 HydrophobicContact CB-CD2 3.75Å; N571-L616 HydrophobicContact CB-CG 4.15Å; N571-L616 WeakPolarHBondContact OD1-CD1 3.45Å; I574-L616 HydrophobicContact CB-CD2 4.46Å; I574-L616 HydrophobicContact CG2-CD2 4.16Å; M575-L616 HydrophobicContact CG-CD2 4.11Å; F580-L616 HydrophobicContact CE2-CD2 4.12Å; F580-L616 HydrophobicContact CZ-CD1 4.34Å; I608-L616 HydrophobicContact CD1-CB 4.49Å; I608-L616 HydrophobicContact CD1-CD1 4.33Å; I608-L616 HydrophobicContact CG1-CD1 4.35Å; I608-L616 HydrophobicContact CG2-CB 4.08Å; I613-L616 HydrophobicContact CB-CB 4.48Å; I613-L616 HydrophobicContact CG2-CB 4.08Å; I613-L616 HydrophobicContact CG2-CD1 3.9Å; I613-L616 HydrophobicContact CG2-CG 3.78Å; I613-L616 PolarHBondContact O-N 2.99Å; K614-L616 PolarHBondContact O-N 3.27Å; L616-H619 PolarHBondContact O-N 3.25Å; L616-V620 WeakPolarHBondContact O-CB 3.47Å; L616-V620 VanDerWaalsContact O-CG2 3.23Å; L616-V620 WeakPolarHBondContact O-CG2 3.49Å; L616-V620 PolarHBondContact O-N 2.97Å
617T97.9Very high97Very high0 Ų047.4 Ų47.40%023%0.234CC..Hα-helixtrans-59.3-48.3177.4-61.80000110.7I613 K614 V620 I621 L640 R643 F644I613-T617 WeakPolarHBondContact O-CB 3.47Å; I613-T617 PolarHBondContact O-N 3.46Å; I613-T617 PolarHBondContact O-OG1 2.69Å; K614-T617 PolarHBondContact O-N 2.99Å; T617-V620 PolarHBondContact O-N 3.36Å; T617-I621 WeakPolarHBondContact O-CG1 3.35Å; T617-I621 PolarHBondContact O-N 3.04Å; T617-I621 VanDerWaalsContact O-N 3.15Å; T617-L640 HydrophobicContact CG2-CD2 4.12Å; T617-R643 HydrophobicContact CG2-CB 4.21Å; T617-F644 HydrophobicContact CG2-CB 4.13Å
618A96.7Very high96.8Very high22 Ų2246 Ų4618%0.18223%0.228CC..Hα-helixtrans-59.5-51.5175.600000111.4K614 V620 I621 E622 F644K614-A618 PolarHBondContact O-N 3.17Å; A618-V620 VanDerWaalsContact C-N 3.33Å; A618-V620 PolarHBondContact O-N 3.05Å; A618-I621 PolarHBondContact O-N 3.36Å; A618-E622 WeakPolarHBondContact O-CB 3.48Å; A618-E622 VanDerWaalsContact O-CG 3.27Å; A618-E622 WeakPolarHBondContact O-CG 3.46Å; A618-E622 PolarHBondContact O-N 3.39Å; A618-F644 HydrophobicContact CB-CD2 3.96Å; A618-F644 HydrophobicContact CB-CE2 3.82Å
619H97.6Very high96.6Very high13 Ų1350 Ų506%0.0625%0.247CC..Hα-helixtrans-59.4-41.5-179.3179.677.8000113.2M575 F578 F580 S615 L616 N623 Y624M575-H619 HydrophobicContact CG-CB 3.65Å; M575-H619 PolarHBondContact O-CE1 3.39Å; M575-H619 VanDerWaalsContact O-CE1 3.26Å; M575-H619 HydrophobicContact SD-CB 3.81Å; F578-H619 AromaticContact CD1-CE1 3.77Å; F580-H619 AromaticContact CD2-CD2 3.66Å; S615-H619 WeakPolarHBondContact O-CB 3.45Å; S615-H619 PolarHBondContact O-N 3.43Å; L616-H619 PolarHBondContact O-N 3.25Å; H619-N623 PolarHBondContact ND1-ND2 2.9Å; H619-N623 WeakPolarHBondContact O-CB 3.39Å; H619-N623 PolarHBondContact O-N 3.41Å; H619-N623 PolarHBondContact O-ND2 3.37Å; H619-Y624 AromaticContact NE2-CE2 3.91Å
620V98Very high96.3Very high0 Ų053.6 Ų53.60%027%0.271CS..Hα-helixtrans-63.9-46.4178.7169.20000111.1F580 F605 L616 T617 A618 Y624 L628F580-V620 HydrophobicContact CD1-CG2 4.13Å; F580-V620 HydrophobicContact CD2-CG2 4.03Å; F580-V620 HydrophobicContact CE1-CG2 4.01Å; F580-V620 HydrophobicContact CE2-CG2 3.86Å; F580-V620 HydrophobicContact CG-CG2 4.14Å; F580-V620 HydrophobicContact CZ-CG2 3.86Å; F605-V620 HydrophobicContact CD1-CG1 4.1Å; F605-V620 HydrophobicContact CD1-CG2 4.34Å; F605-V620 HydrophobicContact CE1-CB 4.45Å; F605-V620 HydrophobicContact CE1-CG1 3.72Å; F605-V620 HydrophobicContact CE1-CG2 3.79Å; L616-V620 WeakPolarHBondContact O-CB 3.47Å; L616-V620 VanDerWaalsContact O-CG2 3.23Å; L616-V620 WeakPolarHBondContact O-CG2 3.49Å; L616-V620 PolarHBondContact O-N 2.97Å; T617-V620 PolarHBondContact O-N 3.36Å; A618-V620 VanDerWaalsContact C-N 3.33Å; A618-V620 PolarHBondContact O-N 3.05Å; V620-Y624 WeakPolarHBondContact O-CA 3.46Å; V620-Y624 WeakPolarHBondContact O-CB 3.31Å; V620-Y624 PolarHBondContact O-N 3.4Å; V620-L628 HydrophobicContact CG1-CD1 4.27Å
621I97.8Very high96Very high16 Ų1650.4 Ų50.48%0.08225%0.251CS..Hα-helixtrans-71.6-42.4-177.4-64.2-59.9000111.5T617 A618 N623 W625 L640 K641 F644T617-I621 WeakPolarHBondContact O-CG1 3.35Å; T617-I621 PolarHBondContact O-N 3.04Å; T617-I621 VanDerWaalsContact O-N 3.15Å; A618-I621 PolarHBondContact O-N 3.36Å; I621-N623 VanDerWaalsContact C-N 3.33Å; I621-N623 PolarHBondContact O-N 2.9Å; I621-W625 HydrophobicContact CD1-CE3 3.9Å; I621-W625 HydrophobicContact CG2-CB 4.31Å; I621-W625 WeakPolarHBondContact O-CB 3.48Å; I621-W625 PolarHBondContact O-N 2.9Å; I621-L640 HydrophobicContact CD1-CB 4.02Å; I621-K641 HydrophobicContact CD1-CB 3.99Å; I621-F644 HydrophobicContact CB-CB 4.23Å; I621-F644 HydrophobicContact CB-CD1 4.17Å; I621-F644 HydrophobicContact CB-CD2 4.49Å; I621-F644 HydrophobicContact CB-CG 4.04Å; I621-F644 HydrophobicContact CG1-CB 3.95Å; I621-F644 HydrophobicContact CG1-CG 4.33Å; I621-F644 HydrophobicContact CG2-CB 4.26Å; I621-F644 HydrophobicContact CG2-CD1 3.52Å; I621-F644 HydrophobicContact CG2-CE1 3.95Å; I621-F644 HydrophobicContact CG2-CG 3.91Å
622E96.6Very high95.7Very high132 Ų13251.8 Ų51.862%0.61726%0.261SS*.Hα-helixtrans-64.5-37.2-179.2-72171.5174.100112.6A618 F644A618-E622 WeakPolarHBondContact O-CB 3.48Å; A618-E622 VanDerWaalsContact O-CG 3.27Å; A618-E622 WeakPolarHBondContact O-CG 3.46Å; A618-E622 PolarHBondContact O-N 3.39Å; E622-F644 HydrophobicContact CG-CE2 4.15Å; E622-F644 HydrophobicContact CG-CZ 3.89Å
623N97.4Very high95.5Very high74 Ų7454 Ų5440%0.39627%0.267SS..Hα-helixtrans-102.3-28.7-171.2-62-75.2000114.1H619 I621H619-N623 PolarHBondContact ND1-ND2 2.9Å; H619-N623 WeakPolarHBondContact O-CB 3.39Å; H619-N623 PolarHBondContact O-N 3.41Å; H619-N623 PolarHBondContact O-ND2 3.37Å; I621-N623 VanDerWaalsContact C-N 3.33Å; I621-N623 PolarHBondContact O-N 2.9Å
624Y97.5Very high95.3Very high24 Ų2455.3 Ų55.39%0.09428%0.275CS..Hα-helixtrans-124.4-1.5-170.6-52.6-81.4000114.6F578 F580 E581 V584 H619 V620 K626 A627 L628F578-Y624 PolarHBondContact O-OH 2.95Å; F580-Y624 HydrophobicContact CB-CD2 4.14Å; F580-Y624 HydrophobicContact CB-CE2 3.54Å; E581-Y624 HydrophobicContact CB-CE1 3.96Å; E581-Y624 PolarHBondContact N-OH 3.43Å; E581-Y624 VanDerWaalsContact N-OH 3.16Å; V584-Y624 HydrophobicContact CB-CD1 4.14Å; V584-Y624 HydrophobicContact CG1-CD1 4.17Å; V584-Y624 HydrophobicContact CG2-CD1 3.88Å; V584-Y624 HydrophobicContact CG2-CE1 4.46Å; V584-Y624 HydrophobicContact CG2-CG 3.95Å; H619-Y624 AromaticContact NE2-CE2 3.91Å; V620-Y624 WeakPolarHBondContact O-CA 3.46Å; V620-Y624 WeakPolarHBondContact O-CB 3.31Å; V620-Y624 PolarHBondContact O-N 3.4Å; Y624-K626 VanDerWaalsContact C-N 3.31Å; Y624-K626 PolarHBondContact O-N 2.87Å; Y624-A627 PolarHBondContact O-N 3.19Å; Y624-L628 WeakPolarHBondContact O-CG 3.32Å; Y624-L628 PolarHBondContact O-N 3.5Å
625W96.8Very high95.2Very high41 Ų4155.8 Ų55.816%0.15528%0.279CS..Hα-helixtrans-53.1-45.3-178.9170.6-101.3000113.3I621 A627 L628 E629 K641I621-W625 HydrophobicContact CD1-CE3 3.9Å; I621-W625 HydrophobicContact CG2-CB 4.31Å; I621-W625 WeakPolarHBondContact O-CB 3.48Å; I621-W625 PolarHBondContact O-N 2.9Å; W625-A627 PolarHBondContact O-N 3.02Å; W625-A627 VanDerWaalsContact O-N 3.1Å; W625-L628 CarbonylContact O-C 3.46Å; W625-L628 PolarHBondContact O-N 3.45Å; W625-E629 HydrophobicContact CD2-CB 4.09Å; W625-E629 VanDerWaalsContact CE2-CB 3.41Å; W625-E629 HydrophobicContact CH2-CB 3.98Å; W625-E629 HydrophobicContact CZ2-CB 3.36Å; W625-E629 PolarHBondContact NE1-OE2 3.31Å; W625-E629 WeakPolarHBondContact O-CB 3.44Å; W625-E629 PolarHBondContact O-N 2.86Å; W625-K641 HydrophobicContact CD2-CD 3.79Å; W625-K641 VanDerWaalsContact CE2-NZ 3.3Å; W625-K641 HydrophobicContact CE3-CB 4Å; W625-K641 HydrophobicContact CE3-CD 3.8Å; W625-K641 HydrophobicContact CE3-CG 4.4Å; W625-K641 HydrophobicContact CH2-CB 4.12Å; W625-K641 HydrophobicContact CH2-CD 3.34Å; W625-K641 HydrophobicContact CH2-CG 4.38Å; W625-K641 HydrophobicContact CZ2-CD 3.32Å; W625-K641 VanDerWaalsContact CZ2-NZ 3.26Å; W625-K641 HydrophobicContact CZ3-CB 3.65Å; W625-K641 HydrophobicContact CZ3-CD 3.58Å; W625-K641 HydrophobicContact CZ3-CG 4.24Å
626K95.3Very high95.2Very high180 Ų18055.1 Ų55.178%0.78327%0.273SS*.Hα-helixtrans-57-29.3-179.6-66.7-177.7-179.4176.30113.4Y624Y624-K626 VanDerWaalsContact C-N 3.31Å; Y624-K626 PolarHBondContact O-N 2.87Å
627A93.8Very high95.1Very high39 Ų3955.2 Ų55.232%0.32227%0.274SS..Hα-helixtrans-86.3-19.1178.100000112.8V584 L588 Y624 W625V584-A627 HydrophobicContact CG1-CB 4.28Å; L588-A627 HydrophobicContact CD1-CB 4.05Å; L588-A627 WeakPolarHBondContact CD2-O 3.05Å; Y624-A627 PolarHBondContact O-N 3.19Å; W625-A627 PolarHBondContact O-N 3.02Å; W625-A627 VanDerWaalsContact O-N 3.1Å
628L94.6Very high95.1Very high2 Ų259.4 Ų59.41%0.0129%0.292CS..Hα-helixtrans-108.4-10.7-172.6-61.3171000113V584 F587 V620 Y624 W625 D630 V631 F637V584-L628 HydrophobicContact CG1-CD2 4.41Å; F587-L628 HydrophobicContact CD1-CD2 3.97Å; F587-L628 HydrophobicContact CE1-CD2 3.95Å; V620-L628 HydrophobicContact CG1-CD1 4.27Å; Y624-L628 WeakPolarHBondContact O-CG 3.32Å; Y624-L628 PolarHBondContact O-N 3.5Å; W625-L628 CarbonylContact O-C 3.46Å; W625-L628 PolarHBondContact O-N 3.45Å; L628-D630 VanDerWaalsContact C-N 3.3Å; L628-D630 PolarHBondContact O-N 2.74Å; L628-V631 WeakPolarHBondContact O-CB 3.47Å; L628-V631 WeakPolarHBondContact O-CG2 3.37Å; L628-V631 PolarHBondContact O-N 2.98Å; L628-F637 HydrophobicContact CB-CB 4.44Å; L628-F637 HydrophobicContact CB-CD1 4.01Å; L628-F637 HydrophobicContact CB-CE1 4.47Å; L628-F637 HydrophobicContact CB-CG 4.14Å; L628-F637 HydrophobicContact CD1-CD1 3.75Å; L628-F637 HydrophobicContact CD1-CE1 3.76Å; L628-F637 HydrophobicContact CD2-CD1 4.18Å; L628-F637 HydrophobicContact CD2-CE1 3.78Å; L628-F637 HydrophobicContact CD2-CE2 4.45Å; L628-F637 HydrophobicContact CD2-CZ 3.92Å; L628-F637 HydrophobicContact CG-CD1 4.19Å; L628-F637 HydrophobicContact CG-CE1 4.21Å
629E94.3Very high95.1Very high84 Ų8459 Ų5939%0.39329%0.291SS..THydrogen-bonded Turntrans-66.1-30.7-173.668.9-177173.700114W625 V631W625-E629 HydrophobicContact CD2-CB 4.09Å; W625-E629 VanDerWaalsContact CE2-CB 3.41Å; W625-E629 HydrophobicContact CH2-CB 3.98Å; W625-E629 HydrophobicContact CZ2-CB 3.36Å; W625-E629 PolarHBondContact NE1-OE2 3.31Å; W625-E629 WeakPolarHBondContact O-CB 3.44Å; W625-E629 PolarHBondContact O-N 2.86Å; E629-V631 PolarHBondContact O-N 3.33Å
630D90.8Very high95Very high136 Ų13658.4 Ų58.473%0.72729%0.288SS*.THydrogen-bonded Turntrans-78.1-4.3178.8-66.4-32000113.1L628 D632L628-D630 VanDerWaalsContact C-N 3.3Å; L628-D630 PolarHBondContact O-N 2.74Å; D630-D632 PolarHBondContact O-N 3.01Å; D630-D632 VanDerWaalsContact O-N 3.15Å
631V91.8Very high95Very high13 Ų1361.2 Ų61.28%0.07930%0.3CS..  trans-78.8100.5177.5-1750000109.6F587 L628 E629 Y633 V634 F637F587-V631 HydrophobicContact CE1-CG2 3.62Å; F587-V631 HydrophobicContact CZ-CG1 4.15Å; F587-V631 HydrophobicContact CZ-CG2 3.89Å; L628-V631 WeakPolarHBondContact O-CB 3.47Å; L628-V631 WeakPolarHBondContact O-CG2 3.37Å; L628-V631 PolarHBondContact O-N 2.98Å; E629-V631 PolarHBondContact O-N 3.33Å; V631-Y633 HydrophobicContact CG1-CD1 4.03Å; V631-Y633 HydrophobicContact CG1-CE1 3.58Å; V631-V634 HydrophobicContact CG1-CG2 3.73Å; V631-F637 HydrophobicContact CB-CD2 3.75Å; V631-F637 HydrophobicContact CB-CE2 4.19Å; V631-F637 HydrophobicContact CG1-CD2 3.66Å; V631-F637 HydrophobicContact CG1-CE2 3.82Å; V631-F637 HydrophobicContact CG2-CD2 4.15Å; V631-F637 HydrophobicContact CG2-CE2 4.24Å
632D90.4Very high94.9Very high111 Ų11164.9 Ų64.959%0.59432%0.319SS*.  trans-109.5-18.2-174.564.8-6.7000114.9D630 V634D630-D632 PolarHBondContact O-N 3.01Å; D630-D632 VanDerWaalsContact O-N 3.15Å; D632-V634 PolarHBondContact O-N 3.26Å
633Y91.1Very high94.8Very high98 Ų9862.7 Ų62.738%0.38431%0.306SS..SBendtrans-71.5-11.4178.766-92.6000113.9F587 N598 I602 V631F587-Y633 WeakPolarHBondContact CZ-OH 3.33Å; N598-Y633 PolarHBondContact ND2-OH 3.48Å; N598-Y633 PolarHBondContact OD1-OH 2.93Å; I602-Y633 HydrophobicContact CD1-CE2 3.84Å; V631-Y633 HydrophobicContact CG1-CD1 4.03Å; V631-Y633 HydrophobicContact CG1-CE1 3.58Å
634V92.3Very high94.7Very high34 Ų3460.4 Ų60.421%0.20629%0.292CS..  trans-132.9153.3169.7-69.10000111.3I602 V631 D632 F637I602-V634 HydrophobicContact CD1-CG1 4.12Å; I602-V634 HydrophobicContact CD1-CG2 4.12Å; I602-V634 HydrophobicContact CG1-CG2 4.48Å; I602-V634 HydrophobicContact CG2-CG1 4.42Å; I602-V634 HydrophobicContact CG2-CG2 4.34Å; V631-V634 HydrophobicContact CG1-CG2 3.73Å; D632-V634 PolarHBondContact O-N 3.26Å; V634-F637 HydrophobicContact CG2-CD2 4.27Å; V634-F637 HydrophobicContact CG2-CE2 4.33Å
635Q94.4Very high94.6Very high128 Ų12862.5 Ų62.560%0.59830%0.303SS*.SBendtrans-90.5-4.5179-63.1-58.1-40.200113.8F637 K638 G639Q635-F637 PolarHBondContact O-N 3.47Å; Q635-K638 PolarHBondContact O-N 3.28Å; Q635-G639 PolarHBondContact O-N 3.03Å
636T96Very high94.4Very high10 Ų1063.3 Ų63.36%0.06131%0.308CS..Hα-helixtrans-56-51.4-174.1-62.30000113I602 F605 E606 G639 L640I602-T636 HydrophobicContact CG2-CG2 4.39Å; F605-T636 HydrophobicContact CB-CG2 3.83Å; E606-T636 HydrophobicContact CB-CG2 3.9Å; E606-T636 WeakPolarHBondContact OE2-CB 3.15Å; E606-T636 WeakPolarHBondContact OE2-CG2 3.42Å; E606-T636 PolarHBondContact OE2-OG1 3.19Å; T636-G639 PolarHBondContact O-N 2.83Å; T636-L640 HydrophobicContact CG2-CD1 4.48Å; T636-L640 PolarHBondContact O-N 2.83Å
637F97Very high94.2Very high2 Ų255.5 Ų55.51%0.00928%0.275CS..Hα-helixtrans-70.9-39.8-177.1-59.8-68.6000113.1F587 I602 F605 L628 V631 V634 Q635 G639 L640 K641F587-F637 HydrophobicContact CE1-CE2 4.17Å; F587-F637 HydrophobicContact CE1-CZ 4.26Å; F587-F637 HydrophobicContact CE2-CE2 4.16Å; F587-F637 HydrophobicContact CE2-CZ 4.17Å; F587-F637 AromaticContact CZ-CE2 3.62Å; F587-F637 HydrophobicContact CZ-CE2 3.62Å; F587-F637 AromaticContact CZ-CZ 3.91Å; F587-F637 HydrophobicContact CZ-CZ 3.91Å; I602-F637 HydrophobicContact CG1-CE2 4.49Å; F605-F637 HydrophobicContact CB-CE1 4.08Å; F605-F637 HydrophobicContact CD1-CE1 4.26Å; F605-F637 AromaticContact CD2-CE1 3.64Å; F605-F637 HydrophobicContact CD2-CE1 3.64Å; F605-F637 AromaticContact CD2-CZ 3.92Å; F605-F637 HydrophobicContact CD2-CZ 3.92Å; F605-F637 HydrophobicContact CE2-CE1 4.08Å; F605-F637 HydrophobicContact CE2-CZ 4.4Å; F605-F637 AromaticContact CG-CE1 3.74Å; F605-F637 HydrophobicContact CG-CE1 3.74Å; F605-F637 HydrophobicContact CG-CZ 4.38Å; L628-F637 HydrophobicContact CB-CB 4.44Å; L628-F637 HydrophobicContact CB-CD1 4.01Å; L628-F637 HydrophobicContact CB-CE1 4.47Å; L628-F637 HydrophobicContact CB-CG 4.14Å; L628-F637 HydrophobicContact CD1-CD1 3.75Å; L628-F637 HydrophobicContact CD1-CE1 3.76Å; L628-F637 HydrophobicContact CD2-CD1 4.18Å; L628-F637 HydrophobicContact CD2-CE1 3.78Å; L628-F637 HydrophobicContact CD2-CE2 4.45Å; L628-F637 HydrophobicContact CD2-CZ 3.92Å; L628-F637 HydrophobicContact CG-CD1 4.19Å; L628-F637 HydrophobicContact CG-CE1 4.21Å; V631-F637 HydrophobicContact CB-CD2 3.75Å; V631-F637 HydrophobicContact CB-CE2 4.19Å; V631-F637 HydrophobicContact CG1-CD2 3.66Å; V631-F637 HydrophobicContact CG1-CE2 3.82Å; V631-F637 HydrophobicContact CG2-CD2 4.15Å; V631-F637 HydrophobicContact CG2-CE2 4.24Å; V634-F637 HydrophobicContact CG2-CD2 4.27Å; V634-F637 HydrophobicContact CG2-CE2 4.33Å; Q635-F637 PolarHBondContact O-N 3.47Å; F637-G639 VanDerWaalsContact C-N 3.3Å; F637-G639 PolarHBondContact O-N 3.27Å; F637-L640 HydrophobicContact CD1-CD1 4.32Å; F637-L640 WeakPolarHBondContact O-CB 3.32Å; F637-L640 PolarHBondContact O-N 2.78Å; F637-K641 PolarHBondContact O-N 3.36Å
638K96.6Very high94Very high88 Ų8859.5 Ų59.538%0.38328%0.281SS..Hα-helixtrans-61.9-40.2172.1-68.7177.2-178170.10111.2Q635 K641 L642Q635-K638 PolarHBondContact O-N 3.28Å; K638-K641 PolarHBondContact O-N 2.9Å; K638-L642 PolarHBondContact O-N 3.06Å
639G96.8Very high93.7Very high15 Ų1565.7 Ų65.716%0.15531%0.31CS..Hα-helixtrans-67-36.4175.300000113.4Q635 T636 F637 L642 R643Q635-G639 PolarHBondContact O-N 3.03Å; T636-G639 PolarHBondContact O-N 2.83Å; F637-G639 VanDerWaalsContact C-N 3.3Å; F637-G639 PolarHBondContact O-N 3.27Å; G639-L642 PolarHBondContact O-N 3.06Å; G639-R643 WeakPolarHBondContact O-CG 3.27Å; G639-R643 PolarHBondContact O-N 2.99Å
640L96.9Very high93.2Very high0 Ų067.7 Ų67.70%031%0.314CS..Hα-helixtrans-62.9-45171.2-83.5168.2000111.4F605 I608 R609 T617 I621 T636 F637 L642 R643 F644F605-L640 HydrophobicContact CB-CD1 3.92Å; F605-L640 HydrophobicContact CD1-CD1 4.04Å; F605-L640 HydrophobicContact CG-CD1 4.38Å; I608-L640 HydrophobicContact CB-CD2 4.48Å; I608-L640 HydrophobicContact CG2-CD2 3.99Å; R609-L640 HydrophobicContact CB-CD2 3.63Å; R609-L640 HydrophobicContact CB-CG 3.86Å; R609-L640 HydrophobicContact CG-CD2 4.08Å; R609-L640 HydrophobicContact CG-CG 4.07Å; T617-L640 HydrophobicContact CG2-CD2 4.12Å; I621-L640 HydrophobicContact CD1-CB 4.02Å; T636-L640 HydrophobicContact CG2-CD1 4.48Å; T636-L640 PolarHBondContact O-N 2.83Å; F637-L640 HydrophobicContact CD1-CD1 4.32Å; F637-L640 WeakPolarHBondContact O-CB 3.32Å; F637-L640 PolarHBondContact O-N 2.78Å; L640-L642 PolarHBondContact O-N 3.23Å; L640-R643 WeakPolarHBondContact O-CB 3.49Å; L640-R643 PolarHBondContact O-N 3.01Å; L640-F644 PolarHBondContact O-N 3.45Å
641K97.1Very high92.8Very high58 Ų5868.6 Ų68.625%0.25231%0.314SS..Hα-helixtrans-61.1-44.6176.2179.8169.6178.9174.90112I621 W625 F637 K638 R643 F644 E645I621-K641 HydrophobicContact CD1-CB 3.99Å; W625-K641 HydrophobicContact CD2-CD 3.79Å; W625-K641 VanDerWaalsContact CE2-NZ 3.3Å; W625-K641 HydrophobicContact CE3-CB 4Å; W625-K641 HydrophobicContact CE3-CD 3.8Å; W625-K641 HydrophobicContact CE3-CG 4.4Å; W625-K641 HydrophobicContact CH2-CB 4.12Å; W625-K641 HydrophobicContact CH2-CD 3.34Å; W625-K641 HydrophobicContact CH2-CG 4.38Å; W625-K641 HydrophobicContact CZ2-CD 3.32Å; W625-K641 VanDerWaalsContact CZ2-NZ 3.26Å; W625-K641 HydrophobicContact CZ3-CB 3.65Å; W625-K641 HydrophobicContact CZ3-CD 3.58Å; W625-K641 HydrophobicContact CZ3-CG 4.24Å; F637-K641 PolarHBondContact O-N 3.36Å; K638-K641 PolarHBondContact O-N 2.9Å; K641-R643 VanDerWaalsContact C-N 3.3Å; K641-R643 PolarHBondContact O-N 3.43Å; K641-F644 WeakPolarHBondContact O-CB 3.28Å; K641-F644 PolarHBondContact O-N 3.39Å; K641-E645 WeakPolarHBondContact CE-OE1 3.42Å; K641-E645 HydrophobicContact CG-CG 4.38Å; K641-E645 WeakPolarHBondContact O-CG 3.46Å; K641-E645 PolarHBondContact O-N 3.49Å
642L96.1Very high92.4Very high93 Ų9373.7 Ų73.749%0.48734%0.341SS..Hα-helixtrans-59.7-40.7176-179.564.2000111.8K638 G639 L640 Q646K638-L642 PolarHBondContact O-N 3.06Å; G639-L642 PolarHBondContact O-N 3.06Å; L640-L642 PolarHBondContact O-N 3.23Å; L642-Q646 WeakPolarHBondContact O-CB 3.45Å; L642-Q646 WeakPolarHBondContact O-CG 3.25Å; L642-Q646 PolarHBondContact O-N 3.31Å
643R94.1Very high91.9Very high87 Ų8772.5 Ų72.533%0.32833%0.334SS..Hα-helixtrans-62.1-45.7174.4-75.4-67.2-166.5-147.44.8111.7R609 T617 G639 L640 K641 Q646 Q647R609-R643 HydrophobicContact CG-CG 4.19Å; T617-R643 HydrophobicContact CG2-CB 4.21Å; G639-R643 WeakPolarHBondContact O-CG 3.27Å; G639-R643 PolarHBondContact O-N 2.99Å; L640-R643 WeakPolarHBondContact O-CB 3.49Å; L640-R643 PolarHBondContact O-N 3.01Å; K641-R643 VanDerWaalsContact C-N 3.3Å; K641-R643 PolarHBondContact O-N 3.43Å; R643-Q646 PolarHBondContact O-N 3.32Å; R643-Q647 VanDerWaalsContact O-CG 3.22Å; R643-Q647 WeakPolarHBondContact O-CG 3.33Å; R643-Q647 PolarHBondContact O-N 3Å
644F95.8Very high90.8Very high25 Ų2572 Ų7211%0.1134%0.343CS..Hα-helixtrans-60.2-47.6176.6174.1-107.2000112.3T617 A618 I621 E622 L640 K641 Q646 Q647 R648T617-F644 HydrophobicContact CG2-CB 4.13Å; A618-F644 HydrophobicContact CB-CD2 3.96Å; A618-F644 HydrophobicContact CB-CE2 3.82Å; I621-F644 HydrophobicContact CB-CB 4.23Å; I621-F644 HydrophobicContact CB-CD1 4.17Å; I621-F644 HydrophobicContact CB-CD2 4.49Å; I621-F644 HydrophobicContact CB-CG 4.04Å; I621-F644 HydrophobicContact CG1-CB 3.95Å; I621-F644 HydrophobicContact CG1-CG 4.33Å; I621-F644 HydrophobicContact CG2-CB 4.26Å; I621-F644 HydrophobicContact CG2-CD1 3.52Å; I621-F644 HydrophobicContact CG2-CE1 3.95Å; I621-F644 HydrophobicContact CG2-CG 3.91Å; E622-F644 HydrophobicContact CG-CE2 4.15Å; E622-F644 HydrophobicContact CG-CZ 3.89Å; L640-F644 PolarHBondContact O-N 3.45Å; K641-F644 WeakPolarHBondContact O-CB 3.28Å; K641-F644 PolarHBondContact O-N 3.39Å; F644-Q646 PolarHBondContact O-N 3.17Å; F644-Q647 WeakPolarHBondContact O-CB 3.26Å; F644-Q647 PolarHBondContact O-N 3.29Å; F644-Q647 VanDerWaalsContact O-N 3.1Å; F644-R648 PolarHBondContact O-N 3.47Å
645E95.3Very high89.4Confident69 Ų6978.7 Ų78.732%0.32237%0.37SS..Hα-helixtrans-60.6-44.4178.3-72.1171.1172.700111.4K641 Q647 R648 E649K641-E645 WeakPolarHBondContact CE-OE1 3.42Å; K641-E645 HydrophobicContact CG-CG 4.38Å; K641-E645 WeakPolarHBondContact O-CG 3.46Å; K641-E645 PolarHBondContact O-N 3.49Å; E645-Q647 VanDerWaalsContact C-N 3.28Å; E645-Q647 PolarHBondContact O-N 3.02Å; E645-R648 PolarHBondContact O-N 3.18Å; E645-E649 WeakPolarHBondContact O-CB 3.38Å; E645-E649 WeakPolarHBondContact O-CG 3.39Å; E645-E649 PolarHBondContact O-N 3.49Å
646Q92.5Very high87.6Confident58 Ų5877.7 Ų77.727%0.27137%0.367SS..Hα-helixtrans-60.3-36.1174-73.8173.2400112.9L642 R643 F644 R650L642-Q646 WeakPolarHBondContact O-CB 3.45Å; L642-Q646 WeakPolarHBondContact O-CG 3.25Å; L642-Q646 PolarHBondContact O-N 3.31Å; R643-Q646 PolarHBondContact O-N 3.32Å; F644-Q646 PolarHBondContact O-N 3.17Å; Q646-R650 VanDerWaalsContact O-CG 3.25Å; Q646-R650 WeakPolarHBondContact O-CG 3.34Å; Q646-R650 PolarHBondContact O-N 3.14Å
647Q89.9Confident85.5Confident16 Ų1681.4 Ų81.48%0.07539%0.387CS..Hα-helixtrans-72.2-42.3177.7-71.316710.900111D612 R643 F644 E645 R650 Q651D612-Q647 PolarHBondContact OD1-NE2 2.73Å; R643-Q647 VanDerWaalsContact O-CG 3.22Å; R643-Q647 WeakPolarHBondContact O-CG 3.33Å; R643-Q647 PolarHBondContact O-N 3Å; F644-Q647 WeakPolarHBondContact O-CB 3.26Å; F644-Q647 PolarHBondContact O-N 3.29Å; F644-Q647 VanDerWaalsContact O-N 3.1Å; E645-Q647 VanDerWaalsContact C-N 3.28Å; E645-Q647 PolarHBondContact O-N 3.02Å; Q647-R650 PolarHBondContact O-N 3.13Å; Q647-Q651 PolarHBondContact O-N 3.29Å; Q647-Q651 VanDerWaalsContact O-N 3.17Å
648R89.6Confident83.5Confident123 Ų12385.5 Ų85.546%0.46442%0.416SS..Hα-helixtrans-65.7-44.2177.6-165.6-177.268.5-176.3-2.8112.1F644 E645 R650 Q651 D652F644-R648 PolarHBondContact O-N 3.47Å; E645-R648 PolarHBondContact O-N 3.18Å; R648-R650 PolarHBondContact O-N 2.89Å; R648-Q651 WeakPolarHBondContact O-CB 3.47Å; R648-Q651 PolarHBondContact O-N 2.86Å; R648-D652 PolarHBondContact O-N 3.26Å
649E88.3Confident81.2Confident131 Ų13188.1 Ų88.161%0.61243%0.431SS*.Hα-helixtrans-58.9-34.4175.3-76179.9178.300112.8E645 N653E645-E649 WeakPolarHBondContact O-CB 3.38Å; E645-E649 WeakPolarHBondContact O-CG 3.39Å; E645-E649 PolarHBondContact O-N 3.49Å; E649-N653 VanDerWaalsContact O-CB 3.31Å; E649-N653 WeakPolarHBondContact O-CB 3.05Å; E649-N653 PolarHBondContact O-N 2.71Å; E649-N653 VanDerWaalsContact O-N 3.12Å
650R85.6Confident79Confident127 Ų12796.1 Ų96.148%0.47946%0.457SS..Hα-helixtrans-69.3-37.7174.2-71.5172.8-162.21717.7112.3Q646 Q647 R648 N653Q646-R650 VanDerWaalsContact O-CG 3.25Å; Q646-R650 WeakPolarHBondContact O-CG 3.34Å; Q646-R650 PolarHBondContact O-N 3.14Å; Q647-R650 PolarHBondContact O-N 3.13Å; R648-R650 PolarHBondContact O-N 2.89Å; R650-N653 CarbonylContact O-C 3.57Å; R650-N653 PolarHBondContact O-N 3.19Å
651Q81Confident76.8Confident155 Ų155100.1 Ų100.172%0.72449%0.485SS*.Hα-helixtrans-70.1-40.4176.5-70.1177.912.500111.9Q647 R648 N653Q647-Q651 PolarHBondContact O-N 3.29Å; Q647-Q651 VanDerWaalsContact O-N 3.17Å; R648-Q651 WeakPolarHBondContact O-CB 3.47Å; R648-Q651 PolarHBondContact O-N 2.86Å; Q651-N653 PolarHBondContact O-N 3.06Å
652D83.1Confident74.5Confident120 Ų120104 Ų10464%0.64251%0.507SS*.Hα-helixtrans-69.6-22.6177.2-69-25.7000112.3R648 P654R648-D652 PolarHBondContact O-N 3.26Å; D652-P654 VanDerWaalsContact C-CD 3.47Å; D652-P654 WeakPolarHBondContact O-CD 3.41Å
653N80.8Confident72.1Confident86 Ų86106.6 Ų106.646%0.4652%0.521SS..  trans-127.664.7-175.3-145.80.9000113.7E649 R650 Q651 K655 L656E649-N653 VanDerWaalsContact O-CB 3.31Å; E649-N653 WeakPolarHBondContact O-CB 3.05Å; E649-N653 PolarHBondContact O-N 2.71Å; E649-N653 VanDerWaalsContact O-N 3.12Å; R650-N653 CarbonylContact O-C 3.57Å; R650-N653 PolarHBondContact O-N 3.19Å; Q651-N653 PolarHBondContact O-N 3.06Å; N653-K655 PolarHBondContact O-N 3.24Å; N653-L656 PolarHBondContact O-N 3.48Å
654P67.1Low69.5Low88 Ų88113.5 Ų113.557%0.57155%0.547SS*.THydrogen-bonded Turntrans-63.6-16.4-174.423.8-32.8000113.9D652 L656 D657D652-P654 VanDerWaalsContact C-CD 3.47Å; D652-P654 WeakPolarHBondContact O-CD 3.41Å; P654-L656 PolarHBondContact O-N 2.91Å; P654-D657 PolarHBondContact O-N 2.88Å
655K62.6Low66.4Low174 Ų174118.2 Ų118.276%0.75757%0.573SS**Hα-helixtrans-64.8-22.6178.1-67.5-175.6-178.9177.70113.3N653N653-K655 PolarHBondContact O-N 3.24Å
656L56.9Low63.4Low106 Ų106122.4 Ų122.456%0.55559%0.592SS**Hα-helixtrans-75.8-28.3178.6-119.595.9000113.2N653 P654N653-L656 PolarHBondContact O-N 3.48Å; P654-L656 PolarHBondContact O-N 2.91Å
657D53Low60.8Low89 Ų89131.4 Ų131.448%0.47662%0.624SS.*Hα-helixtrans-83.2-28.3-177-97.3-22000113.1P654 M659 R660 S661P654-D657 PolarHBondContact O-N 2.88Å; D657-M659 PolarHBondContact O-N 2.9Å; D657-R660 PolarHBondContact O-N 3.19Å; D657-S661 WeakPolarHBondContact O-CB 3.39Å; D657-S661 PolarHBondContact O-N 3.03Å
658S53.7Low58.3Low87 Ų87141.4 Ų141.461%0.60866%0.662SS**Hα-helixtrans-60.6-31.8177.1-168.50000112.6
659M49.6Very low55.6Low144 Ų144146.6 Ų146.671%0.70968%0.682SS**Hα-helixtrans-75.5-24.8173.8-82-166.4-5700114.2D657D657-M659 PolarHBondContact O-N 2.9Å
660R50.1Low53.2Low182 Ų182151.6 Ų151.669%0.68770%0.695SS**Hα-helixtrans-96.9-26-177.1-72.3-172.2175.7-173.20.4113.4D657 I662 L663D657-R660 PolarHBondContact O-N 3.19Å; R660-I662 PolarHBondContact O-N 3.49Å; R660-L663 PolarHBondContact O-N 3.35Å; R660-L663 VanDerWaalsContact O-N 3.13Å
661S49.7Very low51.2Low85 Ų85150.1 Ų150.159%0.59470%0.697SS**Hα-helixtrans-63.7-30178.2-152.70000112.5D657 L663 R664D657-S661 WeakPolarHBondContact O-CB 3.39Å; D657-S661 PolarHBondContact O-N 3.03Å; S661-L663 PolarHBondContact O-N 3.13Å; S661-R664 PolarHBondContact O-N 3.32Å
662I49.2Very low49.4Very low140 Ų140147.9 Ų147.972%0.71871%0.705SS**THydrogen-bonded Turntrans-65.3-26.8175.8-63.2170.8000112.4R660R660-I662 PolarHBondContact O-N 3.49Å
663L46.2Very low47.8Very low147 Ų147150.1 Ų150.177%0.7770%0.704SS**THydrogen-bonded Turntrans-96.1-0.3-174.5-74.5168000114.5R660 S661R660-L663 PolarHBondContact O-N 3.35Å; R660-L663 VanDerWaalsContact O-N 3.13Å; S661-L663 PolarHBondContact O-N 3.13Å
664R39.3Very low46.1Very low232 Ų232150.5 Ų150.588%0.87571%0.71SS**  trans-128.243.7176.9-81.7-171.9179.4-176.5-0.6112.6S661S661-R664 PolarHBondContact O-N 3.32Å
665N30.8Very low45.3Very low123 Ų123149.9 Ų149.966%0.65870%0.701SS**  trans-90.2139.8157.7-102.520.9000110.2
666H32.4Very low44.5Very low157 Ų157148.1 Ų148.173%0.72770%0.696SS**  trans92.378.8178.8-51.6-68.2000117.2
667R37.3Very low44.3Very low247 Ų247148.9 Ų148.993%0.93270%0.7SS**  -153.693.4117-101.4172.2-161171.34.6108R669R667-R669 VanDerWaalsContact C-N 3.28Å; R667-R669 PolarHBondContact O-N 3.15Å
668Y37.1Very low44.4Very low227 Ų227150 Ų15089%0.8970%0.703SS**  trans-6195.3162.4-80.9-90.6000107.5
669R34.4Very low44.4Very low231 Ų231147.5 Ų147.587%0.87268%0.681SS**PPolyproline II helixtrans-101.3122156.6-157.1176.1-169.1137.51.5104.5R667 D671R667-R669 VanDerWaalsContact C-N 3.28Å; R667-R669 PolarHBondContact O-N 3.15Å; R669-D671 PolarHBondContact O-N 3.02Å
670R38.2Very low44.7Very low236 Ų236145.3 Ų145.389%0.89167%0.669SS**PPolyproline II helixtrans-48.7123.4174.9-156.5176.3-174.2-178.7-0.8107.5
671D42.2Very low45.1Very low97 Ų97142.1 Ų142.152%0.51966%0.664SS.*PPolyproline II helixtrans-67.9130.4-174.3-163.5-20.4000108.8R669 R673 T674R669-D671 PolarHBondContact O-N 3.02Å; D671-R673 PolarHBondContact O-N 2.81Å; D671-R673 WeakPolarHBondContact OD1-CB 3.5Å; D671-R673 WeakPolarHBondContact OD1-CG 3.46Å; D671-R673 PolarHBondContact OD1-N 3.33Å; D671-R673 VanDerWaalsContact OD1-N 3.12Å; D671-T674 PolarHBondContact O-N 3Å; D671-T674 PolarHBondContact O-OG1 3.47Å
672A42.7Very low45.4Very low107 Ų107141.9 Ų141.988%0.88465%0.65SS**THydrogen-bonded Turntrans-68.1-0.5175.400000112.6
673R51Low45.2Very low168 Ų168139.6 Ų139.663%0.63464%0.635SS**THydrogen-bonded Turntrans-102.84.2177.8-59.5170.9174.5-176.3-7.5114.1D671 L675D671-R673 PolarHBondContact O-N 2.81Å; D671-R673 WeakPolarHBondContact OD1-CB 3.5Å; D671-R673 WeakPolarHBondContact OD1-CG 3.46Å; D671-R673 PolarHBondContact OD1-N 3.33Å; D671-R673 VanDerWaalsContact OD1-N 3.12Å; R673-L675 PolarHBondContact O-N 3.26Å
674T45.4Very low45.6Very low94 Ų94136.9 Ų136.958%0.57762%0.621SS**SBendtrans-70.5119.3171.1-27.40000106.6D671 E676D671-T674 PolarHBondContact O-N 3Å; D671-T674 PolarHBondContact O-OG1 3.47Å; T674-E676 PolarHBondContact O-N 3.28Å
675L48.8Very low46.1Very low75 Ų75130.2 Ų130.239%0.39361%0.606SS.*PPolyproline II helixtrans-52.3133.3178.9-61.5171.5000108.6R673 E679 E680R673-L675 PolarHBondContact O-N 3.26Å; L675-E679 HydrophobicContact CB-CB 4.5Å; L675-E679 WeakPolarHBondContact CD2-OE2 3.35Å; L675-E680 HydrophobicContact CB-CG 4.39Å; L675-E680 HydrophobicContact CD1-CG 4.38Å
676E47Very low46.9Very low137 Ų137130.6 Ų130.664%0.6461%0.608SS**PPolyproline II helixtrans-71143.4170.6-69.4179.8163.200108.1T674 E678 E679 E680T674-E676 PolarHBondContact O-N 3.28Å; E676-E678 PolarHBondContact O-N 3.49Å; E676-E679 WeakPolarHBondContact O-CB 3.25Å; E676-E679 PolarHBondContact O-N 3.08Å; E676-E680 PolarHBondContact O-N 3.3Å
677D51.4Low47.5Very low122 Ų122129.9 Ų129.965%0.65261%0.605SS**Hα-helixtrans-53.3-24.6-178-59.4-25.5000112.2M681D677-M681 HydrophobicContact CB-CE 4.23Å; D677-M681 VanDerWaalsContact O-CE 3.25Å; D677-M681 WeakPolarHBondContact O-CE 3.19Å; D677-M681 WeakPolarHBondContact O-CG 3.39Å; D677-M681 PolarHBondContact O-N 3.42Å
678E55.3Low47.4Very low113 Ų113124.1 Ų124.153%0.52859%0.593SS.*Hα-helixtrans-68.7-36.5171.8-77.7-176.1168.300114.3E676 E680 M681 W682E676-E678 PolarHBondContact O-N 3.49Å; E678-E680 VanDerWaalsContact C-N 3.34Å; E678-M681 HydrophobicContact CG-CE 4.43Å; E678-M681 PolarHBondContact O-N 3.19Å; E678-W682 PolarHBondContact O-N 3.35Å; E678-W682 VanDerWaalsContact O-N 3.15Å
679E53.9Low47.3Very low33 Ų33120.8 Ų120.815%0.15459%0.591CS.*Hα-helixtrans-64.4-41.9174.8-67-167.5142.100110Y525 L675 E676 W682 F683Y525-E679 HydrophobicContact CD1-CG 3.75Å; Y525-E679 HydrophobicContact CE1-CG 4.15Å; Y525-E679 HydrophobicContact CG-CG 4.41Å; L675-E679 HydrophobicContact CB-CB 4.5Å; L675-E679 WeakPolarHBondContact CD2-OE2 3.35Å; E676-E679 WeakPolarHBondContact O-CB 3.25Å; E676-E679 PolarHBondContact O-N 3.08Å; E679-W682 PolarHBondContact O-N 3.33Å; E679-F683 WeakPolarHBondContact O-CD2 3.31Å; E679-F683 PolarHBondContact O-N 2.96Å
680E55.7Low47.3Very low99 Ų99117.4 Ų117.446%0.46359%0.587SS.*Hα-helixtrans-62.9-41176.1-67.7-171.4173.500112.3L675 E676 E678 W682 F683 N684L675-E680 HydrophobicContact CB-CG 4.39Å; L675-E680 HydrophobicContact CD1-CG 4.38Å; E676-E680 PolarHBondContact O-N 3.3Å; E678-E680 VanDerWaalsContact C-N 3.34Å; E680-W682 VanDerWaalsContact C-N 3.35Å; E680-W682 PolarHBondContact O-N 2.9Å; E680-F683 PolarHBondContact O-N 3.08Å; E680-N684 PolarHBondContact O-N 3.01Å; E680-N684 PolarHBondContact O-ND2 3.29Å
681M59.5Low46.9Very low115 Ų115114.6 Ų114.657%0.56758%0.584SS**Hα-helixtrans-61.2-41.7175.9-76.1-177.6-102.400112D677 E678 F683 N684 T685D677-M681 HydrophobicContact CB-CE 4.23Å; D677-M681 VanDerWaalsContact O-CE 3.25Å; D677-M681 WeakPolarHBondContact O-CE 3.19Å; D677-M681 WeakPolarHBondContact O-CG 3.39Å; D677-M681 PolarHBondContact O-N 3.42Å; E678-M681 HydrophobicContact CG-CE 4.43Å; E678-M681 PolarHBondContact O-N 3.19Å; M681-F683 VanDerWaalsContact C-N 3.32Å; M681-F683 PolarHBondContact O-N 2.9Å; M681-N684 PolarHBondContact O-N 3.11Å; M681-N684 VanDerWaalsContact O-N 3.13Å; M681-T685 PolarHBondContact O-N 2.88Å; M681-T685 VanDerWaalsContact O-N 3.14Å; M681-T685 PolarHBondContact O-OG1 3.39Å
682W55Low46.5Very low79 Ų79118.1 Ų118.130%0.29960%0.602SS.*Hα-helixtrans-66.6-31.5178.6-161.890.1000113.1Y525 N529 E678 E679 E680 N684Y525-W682 HydrophobicContact CD2-CD2 4.01Å; Y525-W682 HydrophobicContact CD2-CE3 4.09Å; Y525-W682 HydrophobicContact CD2-CG 4.29Å; Y525-W682 HydrophobicContact CE2-CB 4Å; Y525-W682 AromaticContact CE2-CD1 3.84Å; Y525-W682 AromaticContact CE2-CD2 3.62Å; Y525-W682 HydrophobicContact CE2-CD2 3.62Å; Y525-W682 AromaticContact CE2-CE2 3.97Å; Y525-W682 HydrophobicContact CE2-CE3 4.18Å; Y525-W682 AromaticContact CE2-CG 3.54Å; Y525-W682 HydrophobicContact CE2-CG 3.54Å; N529-W682 HydrophobicContact CB-CH2 4.37Å; N529-W682 HydrophobicContact CB-CZ3 4.23Å; N529-W682 WeakPolarHBondContact ND2-CZ3 3.12Å; E678-W682 PolarHBondContact O-N 3.35Å; E678-W682 VanDerWaalsContact O-N 3.15Å; E679-W682 PolarHBondContact O-N 3.33Å; E680-W682 VanDerWaalsContact C-N 3.35Å; E680-W682 PolarHBondContact O-N 2.9Å; W682-N684 VanDerWaalsContact C-N 3.33Å
683F46.7Very low45.8Very low93 Ų93116.8 Ų116.841%0.40860%0.599SS.*Hα-helixtrans-67.6-32.5172.1-81.8-75.4000112.8E679 E680 M681E679-F683 WeakPolarHBondContact O-CD2 3.31Å; E679-F683 PolarHBondContact O-N 2.96Å; E680-F683 PolarHBondContact O-N 3.08Å; M681-F683 VanDerWaalsContact C-N 3.32Å; M681-F683 PolarHBondContact O-N 2.9Å
684N54.5Low44.5Very low89 Ų89117.7 Ų117.748%0.47661%0.61SS.*Hα-helixtrans-82.5-27.5-177.1-63.9-29.1000112.9E680 M681 W682 D686 E687E680-N684 PolarHBondContact O-N 3.01Å; E680-N684 PolarHBondContact O-ND2 3.29Å; M681-N684 PolarHBondContact O-N 3.11Å; M681-N684 VanDerWaalsContact O-N 3.13Å; W682-N684 VanDerWaalsContact C-N 3.33Å; N684-D686 PolarHBondContact O-N 3.35Å; N684-E687 PolarHBondContact O-N 2.8Å
685T49Very low43.7Very low93 Ų93118.2 Ų118.257%0.57162%0.624SS**THydrogen-bonded Turntrans-64.6-23.9-177.3-30.80000113.5M681 E687M681-T685 PolarHBondContact O-N 2.88Å; M681-T685 VanDerWaalsContact O-N 3.14Å; M681-T685 PolarHBondContact O-OG1 3.39Å; T685-E687 VanDerWaalsContact C-N 3.32Å
686D48.3Very low42.6Very low131 Ų131120.4 Ų120.470%0.70164%0.641SS**THydrogen-bonded Turntrans-80.1-10.2174.9-80.4-14000113N684N684-D686 PolarHBondContact O-N 3.35Å
687E44.3Very low41.6Very low142 Ų142120.9 Ų120.966%0.66465%0.653SS**THydrogen-bonded Turntrans-87.9-29.3179.4-68-164.3154.500113.4N684 T685 D689N684-E687 PolarHBondContact O-N 2.8Å; T685-E687 VanDerWaalsContact C-N 3.32Å; E687-D689 PolarHBondContact O-N 3.21Å
688D36.1Very low40.4Very low125 Ų125120 Ų12067%0.66866%0.656SS**G310 helixtrans-81.5-14.1-168.9-75.8-23.5000115.7M690D688-M690 VanDerWaalsContact C-N 3.26Å; D688-M690 PolarHBondContact O-N 3.06Å
689D34.1Very low39.7Very low158 Ų158120.6 Ų120.685%0.84567%0.67SS**G310 helixtrans-8410.5-179.6-90.6-17.1000114.1E687E687-D689 PolarHBondContact O-N 3.21Å
690M33.6Very low38.4Very low160 Ų160124.7 Ų124.779%0.78870%0.702SS**G310 helixtrans-138.121.4-176.4-83.5-108.9-134.100116.5D688D688-M690 VanDerWaalsContact C-N 3.26Å; D688-M690 PolarHBondContact O-N 3.06Å
691E31.1Very low37Very low177 Ų177127.4 Ų127.483%0.82772%0.72SS**  trans-97.592.3173.9-79.8-161.3153.400113.9
692D32.9Very low35.6Very low170 Ų170131.3 Ų131.391%0.90973%0.733SS**  trans-96.5115.1153.3-99.6-31.5000109.5
693G28.3Very low34.4Very low79 Ų79133.6 Ų133.681%0.81476%0.756SS**  trans8794.5141.600000119.3
694E23.4Very low33.4Very low187 Ų187138.7 Ų138.787%0.87478%0.778SS**  trans-46.6144.3168.5-58.6174142.900117
695A28.8Very low32.3Very low105 Ų105141.7 Ų141.787%0.86879%0.794SS**  trans-148.9113.6141.100000111.6
696V26.1Very low31.5Very low122 Ų122145.2 Ų145.274%0.73981%0.81SS**  trans-74.8129.3-179.41740000112.5
697V26.6Very low30.7Very low147 Ų147145.7 Ų145.789%0.89181%0.812SS**  trans-146.1139.4145-177.90000111.9
698S24.9Very low30.3Very low104 Ų104145.4 Ų145.473%0.72782%0.815SS**  trans-73.4176.5-174-79.70000117.6
699P40.1Very low30.6Very low125 Ų125147 Ų14781%0.81282%0.822SS**  trans-106166.8-14540.4-34000115.2
700S26.7Very low30.7Very low119 Ų119146.9 Ų146.983%0.83282%0.818SS**  trans-140.4122162.753.90000112.2
701D26.2Very low31.1Very low156 Ų156142.2 Ų142.283%0.83480%0.796SS**  trans-52.4139.8171.9-71.6-55.4000114.3
702K31.2Very low31.5Very low196 Ų196138.3 Ų138.385%0.85279%0.786SS**  trans-175105.2138.9-100.1160.6-167.2-177.40112.7
703T29.6Very low31.6Very low127 Ų127134.6 Ų134.678%0.77977%0.766SS**  trans31.6110.4139.350.10000120.9
704K26.5Very low32.2Very low200 Ų200133.2 Ų133.287%0.8774%0.744SS**  trans44.6104.2134.2-73.1-177.1169.9-178.70118.9
705N30.5Very low33.1Very low152 Ų152129.3 Ų129.381%0.81372%0.724SS**  trans-154.5127.7134.1-97.2-12.8000109D707N705-D707 VanDerWaalsContact C-N 3.25Å; N705-D707 PolarHBondContact O-N 2.65Å
706D32.6Very low34Very low167 Ų167130.9 Ų130.989%0.89371%0.711SS**THydrogen-bonded Turntrans-77.851.2-173.7-83.5-34.2000113.5
707D31.3Very low34.5Very low141 Ų141129.8 Ų129.875%0.75470%0.699SS**THydrogen-bonded Turntrans-122.64.4175.4-86.2-37.1000114.7N705N705-D707 VanDerWaalsContact C-N 3.25Å; N705-D707 PolarHBondContact O-N 2.65Å
708D36.4Very low35.4Very low136 Ų136129 Ų12973%0.72769%0.686SS**G310 helixtrans-93.812.8-175.9-87.3-22.2000115.9M710D708-M710 PolarHBondContact O-N 3.35Å
709I40.9Very low36.2Very low159 Ų159132.6 Ų132.682%0.81568%0.684SS**G310 helixtrans-77.9-11170.7-62.3171.6000111.6D711I709-D711 VanDerWaalsContact C-N 3.34Å; I709-D711 PolarHBondContact O-N 3.03Å
710M36.3Very low36Very low155 Ų155132.8 Ų132.876%0.76467%0.672SS**G310 helixtrans-83.30.5-177.8-85.6-93.4-103.200115.3D708 S714D708-M710 PolarHBondContact O-N 3.35Å; M710-S714 PolarHBondContact O-OG 3.35Å
711D43.1Very low36.5Very low62 Ų62135 Ų13533%0.33267%0.666SS.*Hα-helixtrans-96.4-25.5-165.2-143.323.5000117.5I709 I713 S714 K715I709-D711 VanDerWaalsContact C-N 3.34Å; I709-D711 PolarHBondContact O-N 3.03Å; D711-I713 PolarHBondContact O-N 3.43Å; D711-S714 PolarHBondContact O-N 3.41Å; D711-K715 PolarHBondContact O-N 3.06Å; D711-K715 VanDerWaalsContact O-N 3.13Å; D711-K715 WeakPolarHBondContact OD2-CE 3.3Å; D711-K715 IonicContact OD2-NZ 2.71Å; D711-K715 PolarHBondContact OD2-NZ 3.18Å
712P38.4Very low36.9Very low95 Ų95133.2 Ų133.262%0.61766%0.656SS**Hα-helixtrans-66.4-40.9-176.7-2232.6000114.1F716P712-F716 PolarHBondContact O-N 3.45Å
713I35.4Very low37.1Very low92 Ų92130.3 Ų130.347%0.47264%0.644SS.*Hα-helixtrans-75.7-32.1-177.6-60.8172000111.3D711 F716 M717D711-I713 PolarHBondContact O-N 3.43Å; I713-F716 PolarHBondContact O-N 2.91Å; I713-M717 PolarHBondContact O-N 2.79Å
714S40.9Very low37.2Very low51 Ų51130.8 Ų130.836%0.35764%0.637SS.*Hα-helixtrans-69.4-42.4177.7-60.70000111.2M710 D711 F716 M717 E718M710-S714 PolarHBondContact O-OG 3.35Å; D711-S714 PolarHBondContact O-N 3.41Å; S714-F716 VanDerWaalsContact C-N 3.32Å; S714-F716 PolarHBondContact O-N 3.08Å; S714-M717 PolarHBondContact O-N 2.64Å; S714-E718 PolarHBondContact O-N 3.28Å
715K43.7Very low37.6Very low104 Ų104125 Ų12545%0.45262%0.621SS.*Hα-helixtrans-63.1-33.7173.7-83.9171.7172.7149.50113.3D711 R719D711-K715 PolarHBondContact O-N 3.06Å; D711-K715 VanDerWaalsContact O-N 3.13Å; D711-K715 WeakPolarHBondContact OD2-CE 3.3Å; D711-K715 IonicContact OD2-NZ 2.71Å; D711-K715 PolarHBondContact OD2-NZ 3.18Å; K715-R719 WeakPolarHBondContact O-CB 3.35Å; K715-R719 WeakPolarHBondContact O-CG 3.21Å; K715-R719 PolarHBondContact O-N 3.17Å
716F45.7Very low37.7Very low138 Ų138125.4 Ų125.461%0.60562%0.618SS**Hα-helixtrans-67.2-43.5174.9-175-101.7000112.3P712 I713 S714 E718 R719 K720P712-F716 PolarHBondContact O-N 3.45Å; I713-F716 PolarHBondContact O-N 2.91Å; S714-F716 VanDerWaalsContact C-N 3.32Å; S714-F716 PolarHBondContact O-N 3.08Å; F716-E718 PolarHBondContact O-N 3Å; F716-R719 PolarHBondContact O-N 2.84Å; F716-K720 PolarHBondContact O-N 3.34Å; F716-K720 VanDerWaalsContact O-N 3.09Å
717M38.1Very low37.6Very low99 Ų99124.9 Ų124.949%0.48861%0.611SS.*Hα-helixtrans-68.4-34176.8-66.6-153.1-38.700112.8K576 I713 S714 K720 K721K576-M717 PolarHBondContact NZ-SD 2.91Å; K576-M717 VanDerWaalsContact NZ-SD 3.45Å; I713-M717 PolarHBondContact O-N 2.79Å; S714-M717 PolarHBondContact O-N 2.64Å; M717-K720 PolarHBondContact O-N 3.31Å; M717-K721 PolarHBondContact O-N 3.03Å
718E45.9Very low37.6Very low130 Ų130126.9 Ų126.961%0.60761%0.612SS**Hα-helixtrans-72.1-38.3175.6-73.6-169.4166.800112.6S714 F716 K720 K721 L722S714-E718 PolarHBondContact O-N 3.28Å; F716-E718 PolarHBondContact O-N 3Å; E718-K720 VanDerWaalsContact C-N 3.27Å; E718-K720 PolarHBondContact O-N 2.84Å; E718-K721 PolarHBondContact O-N 3.14Å; E718-L722 PolarHBondContact O-N 3.31Å
719R41.1Very low37.3Very low181 Ų181129.1 Ų129.168%0.68362%0.619SS**Hα-helixtrans-62.5-34.4171.9-79.8-179.8-173154.10.4112.2K715 F716 L722 K723K715-R719 WeakPolarHBondContact O-CB 3.35Å; K715-R719 WeakPolarHBondContact O-CG 3.21Å; K715-R719 PolarHBondContact O-N 3.17Å; F716-R719 PolarHBondContact O-N 2.84Å; R719-L722 PolarHBondContact O-N 3.21Å; R719-K723 PolarHBondContact O-N 3.14Å
720K35.9Very low36.9Very low129 Ų129127.6 Ų127.656%0.56162%0.616SS**Hα-helixtrans-72.5-35.2175.2-147.4177.2-175.9174.30112.4F716 M717 E718 L722 K723 E724F716-K720 PolarHBondContact O-N 3.34Å; F716-K720 VanDerWaalsContact O-N 3.09Å; M717-K720 PolarHBondContact O-N 3.31Å; E718-K720 VanDerWaalsContact C-N 3.27Å; E718-K720 PolarHBondContact O-N 2.84Å; K720-L722 VanDerWaalsContact C-N 3.33Å; K720-L722 PolarHBondContact O-N 2.75Å; K720-K723 PolarHBondContact O-N 3.43Å; K720-E724 PolarHBondContact O-N 3.25Å
721K35.8Very low36.5Very low165 Ų165128 Ų12872%0.71762%0.621SS**Hα-helixtrans-67.6-29.8172.9-115.4-176.8178.5-178.20113.6M717 E718 S725M717-K721 PolarHBondContact O-N 3.03Å; E718-K721 PolarHBondContact O-N 3.14Å; K721-S725 PolarHBondContact O-OG 3Å
722L36.6Very low35.7Very low118 Ų118132.6 Ų132.662%0.61864%0.644SS**Hα-helixtrans-80.6-34.6175.7-77.2160.1000112.4E718 R719 K720 S725E718-L722 PolarHBondContact O-N 3.31Å; R719-L722 PolarHBondContact O-N 3.21Å; K720-L722 VanDerWaalsContact C-N 3.33Å; K720-L722 PolarHBondContact O-N 2.75Å; L722-S725 PolarHBondContact O-N 3.23Å; L722-S725 PolarHBondContact O-OG 2.96Å
723K34.5Very low35Very low136 Ų136137.5 Ų137.559%0.59166%0.656SS**Hα-helixtrans-70.9-32.3173.2-87.5-172.7170.6-175.40113.5R719 K720 S725 E726R719-K723 PolarHBondContact O-N 3.14Å; K720-K723 PolarHBondContact O-N 3.43Å; K723-S725 PolarHBondContact O-N 2.92Å; K723-E726 PolarHBondContact O-N 3.36Å
724E32.4Very low34.5Very low137 Ų137139.6 Ų139.664%0.6467%0.674SS**Hα-helixtrans-68.9-15.2174.7-87-175.9162.100114.2K720K720-E724 PolarHBondContact O-N 3.25Å
725S33.8Very low33.6Very low77 Ų77145 Ų14554%0.53870%0.698SS.*Hα-helixtrans-88.8-20.4175.840.60000115K721 L722 K723K721-S725 PolarHBondContact O-OG 3Å; L722-S725 PolarHBondContact O-N 3.23Å; L722-S725 PolarHBondContact O-OG 2.96Å; K723-S725 PolarHBondContact O-N 2.92Å
726E32.6Very low32.8Very low161 Ų161148.3 Ų148.375%0.75272%0.72SS**Hα-helixtrans-100.5-15.8-177.6-71.4-171.1149.800114.1K723 K728K723-E726 PolarHBondContact O-N 3.36Å; E726-K728 PolarHBondContact O-N 3.44Å
727E30.4Very low31.8Very low157 Ų157147.8 Ų147.873%0.73473%0.734SS**THydrogen-bonded Turntrans-80.80.6175.7-72.2-177172.300114.2
728K30.8Very low31.1Very low182 Ų182146.5 Ų146.579%0.79175%0.745SS**THydrogen-bonded Turntrans-85.32.2177-81.4-172.1176.7177.20115.9E726E726-K728 PolarHBondContact O-N 3.44Å
729E31Very low30.2Very low184 Ų184151.3 Ų151.386%0.8676%0.758SS**SBendtrans-120.73.6179.1-90.4-165.9159.400117.5
730V32.9Very low29.3Very low126 Ų126152 Ų15276%0.76477%0.769SS**SBendtrans-118.7-9.1-179-171.20000115.8
731L27.1Very low28.8Very low164 Ų164151.1 Ų151.186%0.85978%0.779SS**SBendtrans-97.722.8176.6-125.187.8000116
732L26.2Very low28.2Very low158 Ų158149 Ų14983%0.82778%0.782SS**SBendtrans-109.670.1165.6-73.7170000109.7
733K24.6Very low27.5Very low199 Ų199148.8 Ų148.887%0.86579%0.79SS**  trans174.381.4155.8-96.5156.5-171.4179.30111.3
734T25.4Very low26.9Very low136 Ų136152.5 Ų152.583%0.83481%0.807SS**  trans-153.398.8146.816.60000108.7L736T734-L736 PolarHBondContact O-N 3.27Å
735N20.2Very low26.3Very low164 Ų164155 Ų15588%0.87782%0.816SS**  trans-65.3117.3167.3-76.8-33.5000109.1
736L28.2Very low25.8Very low174 Ų174159.4 Ų159.491%0.91183%0.832SS**  trans-127.3104.4152.4-80167000108.6T734T734-L736 PolarHBondContact O-N 3.27Å
737S24.5Very low25.2Very low127 Ų127156.8 Ų156.889%0.88883%0.832SS**  trans-77.8137.3176-160.70000109.6
738G23.6Very low24.8Very low71 Ų71157.5 Ų157.573%0.73284%0.84SS**  trans104.788.7147.200000118
739R27Very low24.4Very low232 Ų232153.6 Ų153.688%0.87584%0.835SS**  -154.6121.2125.5-138.9174.4-179-152.7-1.1110.4
740Q22.2Very low24Very low196 Ų196150.7 Ų150.792%0.91684%0.835SS**  trans-85.3135-177.2-67.7169.1-19.900110.3
741S24.8Very low23.8Very low109 Ų109148.1 Ų148.176%0.76284%0.835SS**  trans-146.1147.7152.2460000108.1
742P24.3Very low23.7Very low122 Ų122146.8 Ų146.879%0.79283%0.833SS**PPolyproline II helixtrans-98.5131.4-133.321.3-8.4000113.7
743S20.7Very low23.5Very low113 Ų113148.4 Ų148.479%0.7983%0.834SS**PPolyproline II helixtrans-75.9119.3168.3-54.20000111.4K745S743-K745 PolarHBondContact O-N 3.21Å
744F21.3Very low23.6Very low213 Ų213146 Ų14693%0.93484%0.835SS**PPolyproline II helixtrans-69.4116.5158.3-94-94.3000109.4
745K21Very low23.4Very low190 Ų190146.9 Ų146.983%0.82684%0.835SS**PPolyproline II helixtrans-82.1121.1176.9-78.2178.1175.2174.80110.4S743S743-K745 PolarHBondContact O-N 3.21Å
746L21.9Very low23.7Very low169 Ų169146.7 Ų146.789%0.88583%0.833SS**  trans-107.696.8152.4-79.7167.4000108.1
747S21.6Very low23.5Very low106 Ų106143.8 Ų143.874%0.74182%0.823SS**  trans-85.5104.6171.245.30000109.5
748L20.8Very low23.4Very low173 Ų173142.4 Ų142.491%0.90681%0.814SS**  trans-87.3115.3161.1-108.265.5000108.4
749S22.6Very low23.5Very low100 Ų100147.3 Ų147.370%0.69982%0.817SS**  trans-129.5118.916862.40000111.5
750S22.4Very low23.2Very low122 Ų122140.9 Ų140.985%0.85381%0.808SS**  trans56.1109.6143.962.60000119.6
751G29Very low23.2Very low73 Ų73136.2 Ų136.275%0.75380%0.797SS**  trans-152.992.416200000112
752T25.9Very low23.1Very low135 Ų135136.8 Ų136.883%0.82880%0.796SS**  trans3.3125.1156.630000122.1
753K21.1Very low23Very low193 Ų193136.2 Ų136.284%0.83979%0.791SS**  trans13.1127.1135.3-63.1176.8176.81770119.3
754T27.1Very low23.2Very low147 Ų147137.7 Ų137.790%0.90279%0.79SS**  -166.5135.4114.440.60000112.1
755N20.4Very low23.3Very low156 Ų156135.3 Ų135.383%0.83479%0.786SS**  trans-79.5156.8168.8-86.4-21.1000111.4
756L28.4Very low23.7Very low159 Ų159132.4 Ų132.483%0.83279%0.786SS**  trans162.297.6136.6-85148.5000108.4
757T23.4Very low23.8Very low113 Ų113128 Ų12869%0.69378%0.781SS**  70.8110.996.852.60000117.7
758S22.1Very low23.9Very low99 Ų99128.6 Ų128.669%0.69279%0.786SS**  54.4130.9126.769.10000122.9
759Q26.4Very low24.3Very low173 Ų173126.7 Ų126.781%0.80878%0.784SS**  trans136.8103.4135.6-76.9179.729.300109.5
760S20.5Very low24.6Very low98 Ų98125.8 Ų125.869%0.68579%0.79SS**  67.3133.482.8710000115.8
761S22.7Very low24.6Very low97 Ų97125.6 Ų125.668%0.67879%0.789SS**  trans85.1110.8148.146.50000121.4
762T22.4Very low24.8Very low121 Ų121128.3 Ų128.374%0.74279%0.793SS**  82.5131.2121.854.90000122.8
763T22.4Very low24.9Very low111 Ų111125.4 Ų125.468%0.68179%0.79SS**  trans87.9122.613245.30000122.3
764N23.3Very low25.2Very low144 Ų144122 Ų12277%0.7779%0.79SS**  trans87.5115.5133.3-63.6-9.4000121
765L24.1Very low25.1Very low162 Ų162121.5 Ų121.585%0.84879%0.79SS**  trans-14.9156.3133.5-72.1159.7000115.5
766P29.1Very low25.3Very low129 Ų129117.8 Ų117.884%0.83879%0.789SS**  cis-155-179.447.339-16.4000117.5
767G24.6Very low25.1Very low76 Ų76115.9 Ų115.978%0.78479%0.789SS**  trans143.7100.7147.700000119.4
768S23.5Very low25.8Very low119 Ų119116.9 Ų116.983%0.83280%0.797SS**  trans-55.9177.4159.9-45.40000113.5
769P29.5Very low25.9Very low134 Ų134115.7 Ų115.787%0.8780%0.8SS**  cis-154.3170.440.540.7-17.1000119.8
770G28.1Very low25.8Very low80 Ų80113 Ų11383%0.82580%0.801SS**  trans157.395.9156.500000117.3
771S23.6Very low26.5Very low119 Ų119114.6 Ų114.683%0.83281%0.809SS**  trans-101.6-174.3157.9-47.60000108.4
772P32.9Very low26.8Very low129 Ų129113.8 Ų113.884%0.83882%0.816SS**  cis-142178.30.839.7-19.4000115.5
773G27.8Very low26.7Very low74 Ų74113.5 Ų113.576%0.76382%0.818SS**  trans170.583.616400000118.7
774S27Very low26.9Very low121 Ų121115 Ų11585%0.84683%0.827SS**  trans35.4129.9144.9-53.90000124
775P24.8Very low27.3Very low137 Ų137113.4 Ų113.489%0.8983%0.825SS**  trans-101.3142.7167.836.4-27.1000113.3
776G25.7Very low27.3Very low79 Ų79115.3 Ų115.381%0.81483%0.826SS**  trans-160.3124.5173.900000113
777S23.5Very low27.1Very low119 Ų119116.4 Ų116.483%0.83283%0.825SS**  trans-69.3-168.5175.2-42.10000113.9
778P38.4Very low27.1Very low133 Ų133119.5 Ų119.586%0.86483%0.829SS**  -129.9170.5-5431.7-13.6000112.9
779G24.6Very low27.3Very low74 Ų74118.9 Ų118.976%0.76382%0.824SS**  trans141.6107.3152.700000118.5
780S24.1Very low27Very low118 Ų118121.9 Ų121.983%0.82583%0.827SS**  trans-16.3176.1154.5-45.50000121.4
781P35Very low27Very low131 Ų131124.8 Ų124.885%0.85183%0.829SS**  cis-131.9155.9-47.735.2-19000112.3
782G27.8Very low27.1Very low80 Ų80123.5 Ų123.583%0.82583%0.825SS**  trans-150.9112.5172.800000111.2
783S21.9Very low26.8Very low114 Ų114122 Ų12280%0.79782%0.824SS**  trans-99.3113.5-177.348.70000111.3
784V26.9Very low26.7Very low142 Ų142125.9 Ų125.986%0.86183%0.826SS**  trans-165.7161.5157.5-144.30000108.5
785P31.4Very low26.5Very low112 Ų112126.2 Ų126.273%0.72782%0.823SS**  -112.5172.6-83.537.9-23.2000113.4N787P785-N787 PolarHBondContact O-N 3.15Å
786K22.5Very low26.7Very low202 Ų202125.8 Ų125.888%0.87882%0.818SS**  trans-49.3117.5174.6-70.2169.4167.3178.20112.5
787N26.1Very low26.6Very low152 Ų152132 Ų13281%0.81382%0.822SS**  trans-94.1124.2157.6-99.76.6000109.3P785 S789P785-N787 PolarHBondContact O-N 3.15Å; N787-S789 PolarHBondContact O-N 2.73Å
788T24.4Very low26.7Very low141 Ų141130.4 Ų130.487%0.86582%0.824SS**  trans-45.8118.7169.8-32.80000110.5
789S26.7Very low26.2Very low105 Ų105127.2 Ų127.273%0.73482%0.816SS**  trans-97.3118171.2-64.60000108.3N787 T791N787-S789 PolarHBondContact O-N 2.73Å; S789-T791 PolarHBondContact O-N 2.93Å
790Q24.8Very low26.7Very low198 Ų198129.9 Ų129.993%0.92581%0.812SS**  trans-53.7114.7171.9-68.3161.2-19.200109.7
791T27.2Very low27.4Very low140 Ų140129 Ų12986%0.85980%0.801SS**PPolyproline II helixtrans-86.8123.4166.835.20000109.1S789S789-T791 PolarHBondContact O-N 2.93Å
792A25.8Very low27.7Very low92 Ų92124.1 Ų124.176%0.7678%0.775SS**PPolyproline II helixtrans-58.2141-178.100000113.2I794A792-I794 PolarHBondContact O-N 3.44Å
793A25.7Very low28.4Very low99 Ų99121.4 Ų121.482%0.81874%0.741SS**PPolyproline II helixtrans-55.7126.3174.100000111.8
794I25.8Very low29.2Very low155 Ų155117.2 Ų117.280%0.79571%0.711SS**  trans-87114172-65.6171.8000107A792 T796A792-I794 PolarHBondContact O-N 3.44Å; I794-T796 HydrophobicContact CG2-CG2 4.47Å; I794-T796 PolarHBondContact O-N 3.43Å
795T24Very low29.8Very low127 Ų127114.9 Ų114.978%0.77969%0.693SS**  trans-79.4105.3171.438.60000109.3K797T795-K797 PolarHBondContact O-N 3.12Å
796T28.9Very low30.3Very low128 Ų128111 Ų11179%0.78566%0.664SS**  trans-78.993.9171.839.20000109.8I794 G798I794-T796 HydrophobicContact CG2-CG2 4.47Å; I794-T796 PolarHBondContact O-N 3.43Å; T796-G798 PolarHBondContact O-N 2.86Å
797K24.3Very low30.9Very low210 Ų210104.9 Ų104.991%0.91365%0.645SS**  trans-68.4110.9162.9-76.9-173.6173.5-174.80109T795T795-K797 PolarHBondContact O-N 3.12Å
798G24.8Very low31.3Very low85 Ų85105.4 Ų105.488%0.87665%0.648SS**  trans125.246.4165.500000116.6T796T796-G798 PolarHBondContact O-N 2.86Å
799G28.1Very low32.3Very low66 Ų66103.5 Ų103.568%0.6863%0.633SS**PPolyproline II helixtrans-96.9144.4169.200000112.3V801G799-V801 PolarHBondContact O-N 3.11Å
800L34.1Very low32.5Very low131 Ų131106.4 Ų106.469%0.68664%0.64SS**PPolyproline II helixtrans-61.7120.1-171.2-138.874.7000112.9
801V39.7Very low33Very low99 Ų99104.6 Ų104.660%0.663%0.631SS**PPolyproline II helixtrans-77.2129.8-177-173.60000110.9E337 F341 G799E337-V801 HydrophobicContact CG-CG1 4.45Å; F341-V801 VanDerWaalsContact CZ-O 3.27Å; F341-V801 WeakPolarHBondContact CZ-O 3.34Å; G799-V801 PolarHBondContact O-N 3.11Å
802G40.6Very low33.2Very low28 Ų28105.6 Ų105.629%0.28963%0.632SS.*PPolyproline II helixtrans-73169.1176.200000113V804G802-V804 VanDerWaalsContact C-N 3.26Å
803L42.1Very low33.7Very low23 Ų23108.3 Ų108.312%0.1263%0.634CS.*SBendtrans-83.8-0.2178.1-16871.8000112.8I300 L304 E337 F341I300-L803 HydrophobicContact CG2-CD2 3.33Å; L304-L803 HydrophobicContact CD1-CD2 4.16Å; E337-L803 HydrophobicContact CB-CD1 4.32Å; E337-L803 VanDerWaalsContact OE2-CA 3.24Å; E337-L803 WeakPolarHBondContact OE2-CA 3.33Å; F341-L803 HydrophobicContact CB-CD1 4.48Å; F341-L803 HydrophobicContact CD2-CB 4.18Å; F341-L803 HydrophobicContact CD2-CD1 3.42Å; F341-L803 VanDerWaalsContact CD2-CD1 3.42Å; F341-L803 HydrophobicContact CD2-CG 4.39Å; F341-L803 HydrophobicContact CE2-CB 3.71Å; F341-L803 HydrophobicContact CE2-CD1 3.83Å; F341-L803 HydrophobicContact CE2-CG 4.39Å; F341-L803 HydrophobicContact CG-CD1 4.02Å; F341-L803 HydrophobicContact CZ-CB 3.96Å
804V39.5Very low33.9Very low27 Ų27111 Ų11116%0.16463%0.634CS.*SBendtrans-146.3116.8-173.8-157.10000107.2F246 I261 G802 Y806F246-V804 HydrophobicContact CD2-CG1 4Å; F246-V804 HydrophobicContact CE2-CG1 4.13Å; F246-V804 HydrophobicContact CE2-CG2 4.24Å; I261-V804 HydrophobicContact CG2-CG2 3.84Å; G802-V804 VanDerWaalsContact C-N 3.26Å; V804-Y806 HydrophobicContact CB-CD2 4.31Å; V804-Y806 HydrophobicContact CB-CE2 3.91Å; V804-Y806 HydrophobicContact CG1-CE2 4.2Å; V804-Y806 WeakPolarHBondContact O-CD2 3.22Å; V804-Y806 PolarHBondContact O-N 3.04Å
805D38.5Very low34.3Very low92 Ų92111.9 Ų111.949%0.49264%0.635SS.*  trans-63.3104.9172.8-82.6-32.4000109.6
806Y43Very low34.7Very low31 Ų31113.4 Ų113.412%0.12264%0.638CS.*  trans-94.8122.7160.2-72.6-89.6000106.6A244 K245 Y265 V804 D808A244-Y806 HydrophobicContact CB-CD1 3.75Å; A244-Y806 HydrophobicContact CB-CE1 3.72Å; K245-Y806 VanDerWaalsContact O-CD1 3.25Å; K245-Y806 WeakPolarHBondContact O-CD1 3.25Å; K245-Y806 WeakPolarHBondContact O-CE1 3.29Å; Y265-Y806 HydrophobicContact CD1-CE2 4.16Å; Y265-Y806 AromaticContact CD2-CD2 3.78Å; Y265-Y806 HydrophobicContact CD2-CD2 3.78Å; Y265-Y806 AromaticContact CD2-CE2 3.5Å; Y265-Y806 HydrophobicContact CD2-CE2 3.5Å; Y265-Y806 HydrophobicContact CE1-CD1 4.5Å; Y265-Y806 HydrophobicContact CE1-CD2 4.47Å; Y265-Y806 HydrophobicContact CE1-CE1 4.15Å; Y265-Y806 HydrophobicContact CE1-CE2 4.14Å; Y265-Y806 AromaticContact CE1-CZ 3.97Å; Y265-Y806 HydrophobicContact CE2-CD1 4.49Å; Y265-Y806 AromaticContact CE2-CD2 3.32Å; Y265-Y806 HydrophobicContact CE2-CD2 3.32Å; Y265-Y806 AromaticContact CE2-CE2 3.49Å; Y265-Y806 HydrophobicContact CE2-CE2 3.49Å; Y265-Y806 VanDerWaalsContact CE2-CE2 3.49Å; Y265-Y806 AromaticContact CE2-CG 3.88Å; Y265-Y806 HydrophobicContact CE2-CG 3.88Å; Y265-Y806 AromaticContact CG-CE2 3.85Å; Y265-Y806 HydrophobicContact CG-CE2 3.85Å; Y265-Y806 AromaticContact CZ-CD2 3.73Å; Y265-Y806 AromaticContact CZ-CE2 3.82Å; Y265-Y806 AromaticContact CZ-CG 3.85Å; V804-Y806 HydrophobicContact CB-CD2 4.31Å; V804-Y806 HydrophobicContact CB-CE2 3.91Å; V804-Y806 HydrophobicContact CG1-CE2 4.2Å; V804-Y806 WeakPolarHBondContact O-CD2 3.22Å; V804-Y806 PolarHBondContact O-N 3.04Å; Y806-D808 PolarHBondContact O-N 3.28Å
807P34.9Very low34.7Very low73 Ų73116.6 Ų116.647%0.47464%0.644SS.*  trans-60.5122.1178.422.5-30000109.8D809P807-D809 PolarHBondContact O-N 3.24Å
808D34.3Very low34.8Very low164 Ų164112.5 Ų112.588%0.87763%0.632SS**  trans-71.6101165.1-71.1-33.4000106.9Y806 D810Y806-D808 PolarHBondContact O-N 3.28Å; D808-D810 PolarHBondContact O-N 3.22Å
809D45.6Very low34.9Very low100 Ų100116.5 Ų116.554%0.53563%0.625SS.*  trans-84.3109.8174.9-80.4-26.4000109.7P807 E811P807-D809 PolarHBondContact O-N 3.24Å; D809-E811 PolarHBondContact O-N 3Å
810D30.6Very low34.9Very low167 Ų167122.5 Ų122.589%0.89364%0.636SS**  trans-7191.1152.4-73.4-43.9000107.7D808D808-D810 PolarHBondContact O-N 3.22Å
811E35.5Very low34.5Very low159 Ų159123 Ų12374%0.74364%0.639SS**  trans-121.8117.3165.9-74.8-167.1161.400110.6D809 D813D809-E811 PolarHBondContact O-N 3Å; E811-D813 PolarHBondContact O-N 3.18Å
812D31.9Very low34.2Very low161 Ų161124.5 Ų124.586%0.86165%0.649SS**  trans-62.4107.8172.7-68.6-58.6000110.1D814D812-D814 PolarHBondContact O-N 3.31Å
813D35.4Very low33.5Very low150 Ų150131.2 Ų131.280%0.80268%0.677SS**  trans-73.588.1171.2-81.5-33.9000110.5E811 E815E811-D813 PolarHBondContact O-N 3.18Å; D813-E815 PolarHBondContact O-N 3.19Å
814D29.8Very low33.2Very low156 Ų156135.5 Ų135.583%0.83471%0.707SS**  trans-74.687.9154.4-81.6-37.5000108.4D812D812-D814 PolarHBondContact O-N 3.31Å
815E34.6Very low32.8Very low173 Ų173142.6 Ų142.681%0.80874%0.742SS**  trans-95.7108.3165.5-79.8-164.3164.700111.4D813D813-E815 PolarHBondContact O-N 3.19Å
816D31.4Very low32.1Very low158 Ų158142.5 Ų142.585%0.84575%0.749SS**  trans-60148.9173.4-87.2-49.6000114.1
817E29.3Very low31.4Very low195 Ų195149.5 Ų149.591%0.91178%0.78SS**  trans-52.3134.3177.4-59.1175.5153.700114.4
818D28Very low31Very low124 Ų124155.4 Ų155.466%0.66380%0.798SS**  trans-126.5117.1169.1-132.9-1000110.2
819K25Very low30.6Very low169 Ų169151.5 Ų151.574%0.73579%0.789SS**  trans67.7119.8149.9-61.7164.7-174.41260119.5
820E29.5Very low29.6Very low192 Ų192155.7 Ų155.790%0.89780%0.802SS**  -165.7152.5112.8-110.6-177-179.600114.3
821D26Very low29.2Very low141 Ų141156.1 Ų156.175%0.75480%0.797SS**  trans-56.7151.9-171.9-68.4-68.3000117.3
822T31.8Very low28.7Very low132 Ų132155.1 Ų155.181%0.8180%0.797SS**  170.6113.8114.837.40000114.3
823L26.2Very low29Very low168 Ų168157 Ų15788%0.8882%0.822SS**  trans40.3150.1138.3-67167.5000123.8
824P36.5Very low28.7Very low114 Ų114157.3 Ų157.374%0.7482%0.823SS**  trans-103.1144.3-156.138-29.5000114.3
825L30.5Very low28.6Very low175 Ų175157.4 Ų157.492%0.91682%0.822SS**  trans-128113.5163.2-90.8163.1000112
826S24.3Very low28.3Very low91 Ų91156.5 Ų156.564%0.63682%0.823SS**  trans-51.7142.2166.7600000114.6
827K27.8Very low28.1Very low177 Ų177156.4 Ų156.477%0.7782%0.822SS**  141.5126.1122.7-82.6170.6-178.2168.60112.1
828K26.7Very low28Very low197 Ų197154 Ų15486%0.85782%0.816SS**  trans54.6145.6135.5-66.7-179.5172.9-176.80117.6
829A26.9Very low28Very low82 Ų82156 Ų15668%0.67883%0.826SS**  cis179.5144.2-11.200000103.5
830K23.7Very low28.2Very low188 Ų188155.1 Ų155.182%0.81783%0.833SS**  trans46.4121.7143.6-75.2-167.6164.8-179.10121.3
831F23.2Very low28.1Very low176 Ų176152.2 Ų152.277%0.77283%0.828SS**  69.3143.4124.8-87.7-90.4000122.6
832D25.2Very low28.3Very low139 Ų139153.2 Ų153.274%0.74383%0.834SS**  trans84.198.8154.7-64.1-28.7000118.9
833S37Very low28Very low199 Ų199155.1 Ų155.1100%1.39284%0.836SS**  -176.40109.5-60.70000110.1

Retrieved 833 of 833 residues in 1029.7 ms (Link to these results)

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