A0A087YKT1_POEFO Loading...

SCY1-like, kinase-like 3

AlphaFold DB , UniProt , Accession A0A087YKT1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 779 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M39.5Very low44.9Very low253 Ų253107 Ų107100%1.24668%0.676SS**  0148.60-64.1-167.5-69.800108.3
2G32.3Very low47.7Very low65 Ų65106.7 Ų106.767%0.6767%0.672SS**  trans-147.5153.2176.200000109.5E4G2-E4 PolarHBondContact O-N 2.8Å
3A33.6Very low50.1Low100 Ų100102.9 Ų102.983%0.82664%0.644SS**  trans-78.888.4-165.800000113.4
4E43.9Very low51.9Low118 Ų118102.1 Ų102.155%0.55163%0.632SS**  trans-10827.8169.155.2-179.6-145.400112.2G2 R62G2-E4 PolarHBondContact O-N 2.8Å; E4-R62 IonicContact OE1-NH2 3.75Å; E4-R62 PolarHBondContact OE1-NH2 2.82Å; E4-R62 IonicContact OE2-CZ 3.53Å; E4-R62 IonicContact OE2-NH1 3.83Å; E4-R62 IonicContact OE2-NH2 3.76Å; E4-R62 PolarHBondContact OE2-NH2 3.37Å
5S40.5Very low52.8Low107 Ų107108.5 Ų108.575%0.74865%0.652SS**  trans-121.818.5-173.163.70000115.1
6S38.4Very low54.5Low105 Ų105111.8 Ų111.873%0.73466%0.658SS**SBendtrans-134.1117.9-176.4-69.60000113.2
7A37.7Very low56.3Low86 Ų86109.3 Ų109.371%0.71165%0.646SS**  trans61.553.215700000119.6R9A7-R9 PolarHBondContact O-N 2.97Å; A7-R9 VanDerWaalsContact O-N 3.15Å
8A43.3Very low57.8Low69 Ų69106.2 Ų106.257%0.5763%0.625SS**  trans-80.567149.700000110.4G10A8-G10 PolarHBondContact O-N 3.28Å
9R50.5Low59.5Low211 Ų211103 Ų10380%0.79661%0.605SS**  trans-80.8109.4177.1-81.6-174.2173.8175-1110.3A7 Q33A7-R9 PolarHBondContact O-N 2.97Å; A7-R9 VanDerWaalsContact O-N 3.15Å; R9-Q33 PolarHBondContact O-NE2 3.44Å
10G63.8Low61Low44 Ų44101.8 Ų101.845%0.45460%0.599SS.*  trans90.2102.2170.700000113.9A8 Q33A8-G10 PolarHBondContact O-N 3.28Å; G10-Q33 WeakPolarHBondContact O-CG 3.1Å
11C71Confident62.2Low19 Ų1997.6 Ų97.613%0.12857%0.574CS.*PPolyproline II helixtrans-96.3148.2145500000107.5A30 V31 L32C11-A30 HydrophobicContact CB-CB 4.4Å; C11-V31 CarbonylContact C-O 3.25Å; C11-V31 WeakPolarHBondContact CA-O 3.36Å; C11-L32 HydrophobicContact CB-CD2 4.25Å
12T77.4Confident64.3Low103 Ų10389.3 Ų89.363%0.63254%0.539SS*.EExtended strand (participates in β ladder)trans-94.6116.3171.7-54.60000107.8A30 V31T12-A30 CarbonylContact O-C 3.35Å; T12-A30 VanDerWaalsContact O-CA 3.22Å; T12-A30 WeakPolarHBondContact O-CA 3.38Å; T12-A30 WeakPolarHBondContact O-CB 3.49Å; T12-V31 PolarHBondContact N-O 3.09Å; T12-V31 PolarHBondContact O-N 3.25Å
13L79.3Confident66.6Low58 Ų5887.8 Ų87.830%0.30452%0.518SS..EExtended strand (participates in β ladder)trans-68.8141.9170.7-57-176.8000109.4A30 V40L13-A30 HydrophobicContact CD2-CB 4.08Å; L13-V40 HydrophobicContact CD2-CB 3.76Å; L13-V40 HydrophobicContact CD2-CG1 3.98Å; L13-V40 HydrophobicContact CD2-CG2 3.76Å
14L76Confident69Low92 Ų9284.9 Ų84.948%0.48250%0.498SS..EExtended strand (participates in β ladder)trans-78.8149.6163.2-56.3-177.5000108.9E16 S29 V31L14-E16 VanDerWaalsContact C-N 3.29Å; L14-E16 PolarHBondContact O-N 2.89Å; L14-S29 PolarHBondContact N-O 2.67Å; L14-V31 HydrophobicContact CD2-CG2 4.48Å
15E65.1Low71.2Confident198 Ų19879.4 Ų79.493%0.92547%0.473SS*.EExtended strand (participates in β ladder)trans-68.9-20.3-161.5-62.5-17014500115
16E80.6Confident73.6Confident161 Ų16175.8 Ų75.875%0.75245%0.446SS*.EExtended strand (participates in β ladder)trans-104.3131.7-178.5-62.8-169.2156.500112.3L14L14-E16 VanDerWaalsContact C-N 3.29Å; L14-E16 PolarHBondContact O-N 2.89Å
17P83.8Confident76.3Confident69 Ų6970.8 Ų70.845%0.44841%0.411SS..EExtended strand (participates in β ladder)trans-72.6139.1171.630-32.9000110.9T26 Y28P17-T26 HydrophobicContact CB-CG2 3.54Å; P17-Y28 HydrophobicContact CB-CD1 4.09Å; P17-Y28 HydrophobicContact CB-CE1 3.65Å; P17-Y28 HydrophobicContact CB-CE2 4.5Å; P17-Y28 HydrophobicContact CG-CE1 4.35Å
18L83.9Confident78.9Confident53 Ų5369.2 Ų69.228%0.27739%0.387SS..EExtended strand (participates in β ladder)trans-72.3-50176.8-59.8178.5000111.5M27 L91L18-M27 HydrophobicContact CD1-CE 4.11Å; L18-M27 HydrophobicContact CD1-CG 4.28Å; L18-M27 HydrophobicContact CD1-SD 4.32Å; L18-M27 PolarHBondContact N-O 3.35Å; L18-L91 HydrophobicContact CB-CD1 4.49Å
19L89.6Confident81.2Confident46 Ų4666.9 Ų66.924%0.24137%0.367CS..EExtended strand (participates in β ladder)trans-162.8154.9-175.1-172.756.1000109.6L21 M27 P88 L91L19-L21 HydrophobicContact CD2-CD2 4Å; L19-L21 HydrophobicContact CG-CD2 4.38Å; L19-M27 PolarHBondContact O-N 2.88Å; L19-P88 HydrophobicContact CB-CG 4.11Å; L19-P88 HydrophobicContact CD2-CB 3.88Å; L19-P88 HydrophobicContact CD2-CG 3.99Å; L19-L91 HydrophobicContact CB-CD1 4.44Å
20T89.9Confident83.2Confident79 Ų7956.9 Ų56.949%0.48533%0.329SS..EExtended strand (participates in β ladder)trans-107.7120.1159.6-60.50000107.8P25 T26T20-P25 WeakPolarHBondContact CA-O 3.49Å; T20-T26 WeakPolarHBondContact OG1-CG2 3.49Å; T20-T26 PolarHBondContact OG1-OG1 3.01Å
21L86.8Confident84.4Confident14 Ų1457.3 Ų57.37%0.07332%0.323CS..  trans-71.8154.7-175.5-58.4-178.9000111.1L19 S23 G24 P25 F41 F132L19-L21 HydrophobicContact CD2-CD2 4Å; L19-L21 HydrophobicContact CG-CD2 4.38Å; L21-S23 PolarHBondContact O-N 3.31Å; L21-G24 PolarHBondContact O-N 3.29Å; L21-P25 HydrophobicContact CB-CG 4.33Å; L21-P25 HydrophobicContact CD1-CG 4.13Å; L21-P25 HydrophobicContact CG-CG 4.49Å; L21-P25 PolarHBondContact N-O 3.06Å; L21-F41 HydrophobicContact CD1-CD1 4.24Å; L21-F41 HydrophobicContact CD1-CE1 4.05Å; L21-F132 HydrophobicContact CD1-CE1 4.23Å; L21-F132 HydrophobicContact CD1-CZ 3.75Å; L21-F132 HydrophobicContact CD2-CE1 4.31Å; L21-F132 HydrophobicContact CD2-CZ 4.4Å
22P83.1Confident85.3Confident79 Ų7958.4 Ų58.451%0.51333%0.327SS..THydrogen-bonded Turntrans-54.4-32.4173.7-27.536.3000114.1G24P22-G24 PolarHBondContact O-N 3.43Å
23S79.7Confident85.7Confident32 Ų3261.1 Ų61.122%0.22433%0.333CS..THydrogen-bonded Turntrans-72.6-2.1175.470.20000114.8L21 P25 E145L21-S23 PolarHBondContact O-N 3.31Å; S23-P25 WeakPolarHBondContact OG-CD 3.36Å; S23-E145 WeakPolarHBondContact CB-OE1 3.41Å; S23-E145 PolarHBondContact OG-OE1 3.04Å
24G85.2Confident85.9Confident40 Ų4062.9 Ų62.941%0.41234%0.342SS..SBendtrans105.2-17.6170.500000119.8L21 P22L21-G24 PolarHBondContact O-N 3.29Å; P22-G24 PolarHBondContact O-N 3.43Å
25P89.3Confident86.4Confident3 Ų361.1 Ų61.12%0.01935%0.347CS..PPolyproline II helixtrans-79.8146.317730.6-33.2000112.7T20 L21 S23 F41 V42T20-P25 WeakPolarHBondContact CA-O 3.49Å; L21-P25 HydrophobicContact CB-CG 4.33Å; L21-P25 HydrophobicContact CD1-CG 4.13Å; L21-P25 HydrophobicContact CG-CG 4.49Å; L21-P25 PolarHBondContact N-O 3.06Å; S23-P25 WeakPolarHBondContact OG-CD 3.36Å; P25-F41 HydrophobicContact CB-CB 4.36Å; P25-V42 WeakPolarHBondContact CA-O 3.44Å
26T92.3Very high87.5Confident31 Ų3157.3 Ų57.319%0.1933%0.327CS..EExtended strand (participates in β ladder)trans-95.2129.2170.9-53.70000109.9P17 T20 Y28 V42P17-T26 HydrophobicContact CB-CG2 3.54Å; T20-T26 WeakPolarHBondContact OG1-CG2 3.49Å; T20-T26 PolarHBondContact OG1-OG1 3.01Å; T26-Y28 HydrophobicContact CG2-CD2 4.35Å; T26-Y28 HydrophobicContact CG2-CE2 3.58Å; T26-V42 PolarHBondContact N-O 3.27Å; T26-V42 VanDerWaalsContact N-O 3.09Å; T26-V42 PolarHBondContact O-N 3.38Å
27M93.8Very high88.1Confident0 Ų052.3 Ų52.30%031%0.309CS..EExtended strand (participates in β ladder)trans-99.9135.3-175.7-172.1-175.9174.700111.1L18 L19 V40 F41 V86 P88 F132L18-M27 HydrophobicContact CD1-CE 4.11Å; L18-M27 HydrophobicContact CD1-CG 4.28Å; L18-M27 HydrophobicContact CD1-SD 4.32Å; L18-M27 PolarHBondContact N-O 3.35Å; L19-M27 PolarHBondContact O-N 2.88Å; M27-V40 CarbonylContact C-O 3.55Å; M27-V40 WeakPolarHBondContact CA-O 3.31Å; M27-F41 HydrophobicContact CB-CD1 4.1Å; M27-F41 HydrophobicContact CB-CE1 4.11Å; M27-F41 HydrophobicContact CE-CE1 4.24Å; M27-F41 HydrophobicContact CE-CZ 3.86Å; M27-F41 HydrophobicContact CG-CD1 4.01Å; M27-F41 HydrophobicContact CG-CE1 3.69Å; M27-F41 HydrophobicContact CG-CZ 4.1Å; M27-F41 HydrophobicContact SD-CD1 4.47Å; M27-F41 HydrophobicContact SD-CE1 3.59Å; M27-F41 VanDerWaalsContact SD-CE1 3.59Å; M27-F41 HydrophobicContact SD-CZ 3.85Å; M27-V86 HydrophobicContact CE-CG2 3.78Å; M27-V86 WeakPolarHBondContact CE-O 3.32Å; M27-P88 HydrophobicContact SD-CG 3.64Å; M27-F132 HydrophobicContact CE-CD1 4.06Å; M27-F132 HydrophobicContact CE-CE1 4.38Å; M27-F132 HydrophobicContact SD-CD1 4.05Å; M27-F132 HydrophobicContact SD-CE1 3.82Å
28Y92.5Very high88.6Confident53 Ų5349 Ų4921%0.20829%0.287CS..EExtended strand (participates in β ladder)trans-128.4144.5178.6-62.5-99.8000110.2P17 T26 S39 V40 V42P17-Y28 HydrophobicContact CB-CD1 4.09Å; P17-Y28 HydrophobicContact CB-CE1 3.65Å; P17-Y28 HydrophobicContact CB-CE2 4.5Å; P17-Y28 HydrophobicContact CG-CE1 4.35Å; T26-Y28 HydrophobicContact CG2-CD2 4.35Å; T26-Y28 HydrophobicContact CG2-CE2 3.58Å; Y28-S39 WeakPolarHBondContact O-CA 3.25Å; Y28-V40 PolarHBondContact N-O 3.41Å; Y28-V40 PolarHBondContact O-N 3.33Å; Y28-V42 HydrophobicContact CD2-CB 4.36Å; Y28-V42 HydrophobicContact CD2-CG2 3.63Å; Y28-V42 HydrophobicContact CE2-CB 4Å; Y28-V42 HydrophobicContact CE2-CG2 3.61Å
29S92Very high89.1Confident19 Ų1946.5 Ų46.513%0.13327%0.274CS..EExtended strand (participates in β ladder)trans-73143.9158.5-71.70000109.5L14 H85L14-S29 PolarHBondContact N-O 2.67Å; S29-H85 PolarHBondContact OG-NE2 2.93Å
30A91.3Very high89.3Confident2 Ų244.3 Ų44.32%0.01726%0.263CS..EExtended strand (participates in β ladder)trans-145.2165.8-178.300000111.6C11 T12 L13 A38 V40C11-A30 HydrophobicContact CB-CB 4.4Å; T12-A30 CarbonylContact O-C 3.35Å; T12-A30 VanDerWaalsContact O-CA 3.22Å; T12-A30 WeakPolarHBondContact O-CA 3.38Å; T12-A30 WeakPolarHBondContact O-CB 3.49Å; L13-A30 HydrophobicContact CD2-CB 4.08Å; A30-A38 PolarHBondContact N-O 3.1Å; A30-A38 PolarHBondContact O-N 3.31Å; A30-A38 VanDerWaalsContact O-O 3.08Å; A30-V40 HydrophobicContact CB-CG2 3.56Å
31V90.9Very high89.5Confident52 Ų5241 Ų4132%0.31524%0.241SC..EExtended strand (participates in β ladder)trans-121.4133.5173.5-1710000109.4C11 T12 L14C11-V31 CarbonylContact C-O 3.25Å; C11-V31 WeakPolarHBondContact CA-O 3.36Å; T12-V31 PolarHBondContact N-O 3.09Å; T12-V31 PolarHBondContact O-N 3.25Å; L14-V31 HydrophobicContact CD2-CG2 4.48Å
32L89.6Confident89.8Confident43 Ų4341.5 Ų41.523%0.22525%0.245CC..  trans-78.8165.2175.9-57.5179000111.1C11 D34 G35 K36 A38 L70 V82C11-L32 HydrophobicContact CB-CD2 4.25Å; L32-D34 VanDerWaalsContact CB-OD1 3.31Å; L32-D34 WeakPolarHBondContact CB-OD1 3.37Å; L32-D34 PolarHBondContact O-N 2.6Å; L32-D34 VanDerWaalsContact O-N 3.11Å; L32-G35 PolarHBondContact O-N 3.49Å; L32-K36 HydrophobicContact CD1-CB 4.26Å; L32-K36 PolarHBondContact N-O 3.17Å; L32-A38 HydrophobicContact CD1-CB 4.26Å; L32-A38 HydrophobicContact CD2-CB 3.71Å; L32-A38 HydrophobicContact CG-CB 3.81Å; L32-L70 HydrophobicContact CD1-CD1 3.82Å; L32-L70 HydrophobicContact CD2-CD1 4.42Å; L32-V82 HydrophobicContact CD2-CG1 4.08Å
33Q84.8Confident90.2Very high159 Ų15938.6 Ų38.674%0.74323%0.225SC*.THydrogen-bonded Turntrans-58.6-25.4178.9-62.2-157.9-52.800114.2R9 G10 G35R9-Q33 PolarHBondContact O-NE2 3.44Å; G10-Q33 WeakPolarHBondContact O-CG 3.1Å; Q33-G35 VanDerWaalsContact C-N 3.26Å; Q33-G35 PolarHBondContact O-N 3.32Å
34D84.2Confident90.7Very high95 Ų9543.7 Ų43.751%0.50824%0.243SC..THydrogen-bonded Turntrans-89.213.5178.170.2-10000113.3L32 K36L32-D34 VanDerWaalsContact CB-OD1 3.31Å; L32-D34 WeakPolarHBondContact CB-OD1 3.37Å; L32-D34 PolarHBondContact O-N 2.6Å; L32-D34 VanDerWaalsContact O-N 3.11Å; D34-K36 PolarHBondContact O-N 3.33Å; D34-K36 WeakPolarHBondContact OD1-CB 3.14Å; D34-K36 PolarHBondContact OD1-N 3.41Å; D34-K36 WeakPolarHBondContact OD2-CD 2.92Å; D34-K36 IonicContact OD2-NZ 2.71Å; D34-K36 PolarHBondContact OD2-NZ 3.18Å
35G85.6Confident90.7Very high56 Ų5648.3 Ų48.358%0.57725%0.248SC*.SBendtrans76.5-0.6178.600000114.9L32 Q33L32-G35 PolarHBondContact O-N 3.49Å; Q33-G35 VanDerWaalsContact C-N 3.26Å; Q33-G35 PolarHBondContact O-N 3.32Å
36K89.3Confident90.6Very high117 Ų11754.1 Ų54.151%0.50928%0.279SS..  trans-75.6143.2178.6-66.3-177.3-175.764.40111.5L32 D34L32-K36 HydrophobicContact CD1-CB 4.26Å; L32-K36 PolarHBondContact N-O 3.17Å; D34-K36 PolarHBondContact O-N 3.33Å; D34-K36 WeakPolarHBondContact OD1-CB 3.14Å; D34-K36 PolarHBondContact OD1-N 3.41Å; D34-K36 WeakPolarHBondContact OD2-CD 2.92Å; D34-K36 IonicContact OD2-NZ 2.71Å; D34-K36 PolarHBondContact OD2-NZ 3.18Å
37P92.4Very high90.3Very high56 Ų5654.7 Ų54.736%0.36428%0.281SS..EExtended strand (participates in β ladder)trans-69.4150.4171.931.3-34.9000111H85 E135P37-H85 HydrophobicContact CB-CB 3.91Å; P37-H85 HydrophobicContact CG-CB 4.18Å; P37-E135 WeakPolarHBondContact CG-OE1 3.4Å
38A94.5Very high90Very high0 Ų059.6 Ų59.60%030%0.304CS..EExtended strand (participates in β ladder)trans-149.2165176.400000110A30 L32 L70 V82 T83A30-A38 PolarHBondContact N-O 3.1Å; A30-A38 PolarHBondContact O-N 3.31Å; A30-A38 VanDerWaalsContact O-O 3.08Å; L32-A38 HydrophobicContact CD1-CB 4.26Å; L32-A38 HydrophobicContact CD2-CB 3.71Å; L32-A38 HydrophobicContact CG-CB 3.81Å; A38-L70 HydrophobicContact CB-CD1 4.17Å; A38-V82 HydrophobicContact CB-CG1 4.11Å; A38-T83 WeakPolarHBondContact CB-O 3.36Å
39S94.9Very high89.8Confident0 Ų065.2 Ų65.20%033%0.332CS..EExtended strand (participates in β ladder)trans-112.5143.7169.3-59.40000110Y28 T83 H85 V86Y28-S39 WeakPolarHBondContact O-CA 3.25Å; S39-T83 PolarHBondContact N-O 3.18Å; S39-T83 PolarHBondContact O-N 2.9Å; S39-T83 PolarHBondContact O-OG1 3.19Å; S39-H85 PolarHBondContact OG-CD2 2.9Å; S39-V86 PolarHBondContact OG-N 3.09Å; S39-V86 PolarHBondContact OG-O 2.91Å
40V94.2Very high89.6Confident0 Ų067.9 Ų67.90%034%0.341CS..EExtended strand (participates in β ladder)trans-125.2123.2-179.5-176.90000109.9L13 M27 Y28 A30 V42 H80 L81 V82L13-V40 HydrophobicContact CD2-CB 3.76Å; L13-V40 HydrophobicContact CD2-CG1 3.98Å; L13-V40 HydrophobicContact CD2-CG2 3.76Å; M27-V40 CarbonylContact C-O 3.55Å; M27-V40 WeakPolarHBondContact CA-O 3.31Å; Y28-V40 PolarHBondContact N-O 3.41Å; Y28-V40 PolarHBondContact O-N 3.33Å; A30-V40 HydrophobicContact CB-CG2 3.56Å; V40-V42 HydrophobicContact CG1-CG2 4.08Å; V40-H80 HydrophobicContact CG1-CB 3.79Å; V40-L81 WeakPolarHBondContact CA-O 3.29Å; V40-V82 HydrophobicContact CG2-CG1 4.15Å; V40-V82 HydrophobicContact CG2-CG2 4.14Å
41F93.9Very high89.6Confident9 Ų967.8 Ų67.84%0.03934%0.34CS..EExtended strand (participates in β ladder)trans-95.7113.2171-58.5-91.9000108.1L21 P25 M27 H43 L67 L81 T83 F132L21-F41 HydrophobicContact CD1-CD1 4.24Å; L21-F41 HydrophobicContact CD1-CE1 4.05Å; P25-F41 HydrophobicContact CB-CB 4.36Å; M27-F41 HydrophobicContact CB-CD1 4.1Å; M27-F41 HydrophobicContact CB-CE1 4.11Å; M27-F41 HydrophobicContact CE-CE1 4.24Å; M27-F41 HydrophobicContact CE-CZ 3.86Å; M27-F41 HydrophobicContact CG-CD1 4.01Å; M27-F41 HydrophobicContact CG-CE1 3.69Å; M27-F41 HydrophobicContact CG-CZ 4.1Å; M27-F41 HydrophobicContact SD-CD1 4.47Å; M27-F41 HydrophobicContact SD-CE1 3.59Å; M27-F41 VanDerWaalsContact SD-CE1 3.59Å; M27-F41 HydrophobicContact SD-CZ 3.85Å; F41-H43 PolarHBondContact O-CD2 2.77Å; F41-L67 HydrophobicContact CE2-CD2 3.94Å; F41-L67 HydrophobicContact CZ-CD2 4.06Å; F41-L81 HydrophobicContact CB-CB 4.31Å; F41-L81 PolarHBondContact N-O 2.99Å; F41-L81 PolarHBondContact O-N 2.96Å; F41-T83 HydrophobicContact CD2-CG2 4.06Å; F41-T83 HydrophobicContact CE2-CG2 3.83Å; F41-F132 AromaticContact CE1-CE1 3.7Å; F41-F132 HydrophobicContact CE1-CE1 3.7Å; F41-F132 AromaticContact CE1-CZ 3.88Å; F41-F132 HydrophobicContact CE1-CZ 3.88Å; F41-F132 HydrophobicContact CZ-CD1 4.23Å; F41-F132 AromaticContact CZ-CE1 3.83Å; F41-F132 HydrophobicContact CZ-CE1 3.83Å; F41-F132 HydrophobicContact CZ-CZ 4.09Å
42V92.8Very high89.6Confident26 Ų2669.1 Ų69.116%0.15835%0.346CS..EExtended strand (participates in β ladder)trans-93.8107.3178.2-179.70000108.3P25 T26 Y28 V40P25-V42 WeakPolarHBondContact CA-O 3.44Å; T26-V42 PolarHBondContact N-O 3.27Å; T26-V42 VanDerWaalsContact N-O 3.09Å; T26-V42 PolarHBondContact O-N 3.38Å; Y28-V42 HydrophobicContact CD2-CB 4.36Å; Y28-V42 HydrophobicContact CD2-CG2 3.63Å; Y28-V42 HydrophobicContact CE2-CB 4Å; Y28-V42 HydrophobicContact CE2-CG2 3.61Å; V40-V42 HydrophobicContact CG1-CG2 4.08Å
43H92Very high89.6Confident17 Ų1769.9 Ų69.98%0.07935%0.347CS..EExtended strand (participates in β ladder)trans-95.3150.2173.5-61-108.2000110.3F41 V51 G78 I79F41-H43 PolarHBondContact O-CD2 2.77Å; H43-V51 HydrophobicContact CB-CG2 3.53Å; H43-G78 CarbonylContact O-C 3.58Å; H43-G78 WeakPolarHBondContact O-CA 3.43Å; H43-I79 PolarHBondContact N-O 2.86Å; H43-I79 PolarHBondContact O-N 2.89Å
44K90.1Very high90Very high139 Ų13962.5 Ų62.560%0.60431%0.313SS*.  trans-66.2150.8168.4-64.3170.3-173.4167.80110.3D46 N47K44-D46 WeakPolarHBondContact CB-OD1 3.48Å; K44-D46 PolarHBondContact O-N 2.82Å; K44-N47 PolarHBondContact O-N 2.9Å; K44-N47 VanDerWaalsContact O-N 3.09Å
45R85.3Confident90.5Very high137 Ų13758.3 Ų58.352%0.51729%0.291SS..G310 helixtrans-64.1-24.8-174.9-61.4-171.6-172.2130-7.4114.5N47 E48 D76R45-N47 PolarHBondContact O-N 3.15Å; R45-E48 PolarHBondContact O-N 3.01Å; R45-D76 IonicContact NH2-OD1 3.65Å
46D86.3Confident90.9Very high126 Ų12662.7 Ų62.767%0.67429%0.294SS*.G310 helixtrans-65.7-14.5174.158-10.3000113.8K44K44-D46 WeakPolarHBondContact CB-OD1 3.48Å; K44-D46 PolarHBondContact O-N 2.82Å
47N86.4Confident91.2Very high42 Ų4258.5 Ų58.523%0.22528%0.277CS..G310 helixtrans-99.318.6179.6-73.1-90.8000113.5K44 R45 E49 K50 V51K44-N47 PolarHBondContact O-N 2.9Å; K44-N47 VanDerWaalsContact O-N 3.09Å; R45-N47 PolarHBondContact O-N 3.15Å; N47-E49 PolarHBondContact O-N 3.43Å; N47-K50 WeakPolarHBondContact O-CB 3.48Å; N47-K50 PolarHBondContact O-N 3.26Å; N47-V51 WeakPolarHBondContact O-CG2 3.37Å; N47-V51 PolarHBondContact O-N 3.17Å
48E87.9Confident91.3Very high104 Ų10456.4 Ų56.449%0.48626%0.262SS..Hα-helixtrans-52.4-45.7-174.9-177.7163.8-175.800114.2R45 K50 V51 N52 I79R45-E48 PolarHBondContact O-N 3.01Å; E48-K50 VanDerWaalsContact C-N 3.35Å; E48-K50 PolarHBondContact O-N 3.16Å; E48-V51 PolarHBondContact O-N 2.96Å; E48-N52 WeakPolarHBondContact CG-ND2 3.37Å; E48-N52 WeakPolarHBondContact O-CB 3.21Å; E48-N52 PolarHBondContact O-N 3.08Å; E48-N52 PolarHBondContact O-ND2 2.83Å; E48-I79 VanDerWaalsContact CA-CD1 3.42Å; E48-I79 HydrophobicContact CB-CD1 3.56Å; E48-I79 HydrophobicContact CG-CD1 3.95Å
49E87.3Confident91.3Very high170 Ų17060 Ų6079%0.79428%0.278SS*.Hα-helixtrans-60-44.4177.7-172.6-177-178.600111.9N47 N52 K53N47-E49 PolarHBondContact O-N 3.43Å; E49-N52 PolarHBondContact O-N 3.38Å; E49-K53 WeakPolarHBondContact O-CB 3.42Å; E49-K53 PolarHBondContact O-N 2.85Å
50K87.4Confident91.2Very high76 Ų7664.7 Ų64.733%0.3331%0.307SS..Hα-helixtrans-62.4-45.3177.3-64.3-175.5-175.4172.80111N47 E48 N52 K53 T54N47-K50 WeakPolarHBondContact O-CB 3.48Å; N47-K50 PolarHBondContact O-N 3.26Å; E48-K50 VanDerWaalsContact C-N 3.35Å; E48-K50 PolarHBondContact O-N 3.16Å; K50-N52 PolarHBondContact O-N 3.48Å; K50-K53 WeakPolarHBondContact O-CB 3.5Å; K50-K53 PolarHBondContact O-N 2.78Å; K50-T54 WeakPolarHBondContact O-CB 3.45Å; K50-T54 PolarHBondContact O-N 3.23Å; K50-T54 PolarHBondContact O-OG1 2.93Å
51V91.6Very high91.3Very high0 Ų065.8 Ų65.80%031%0.312CS..Hα-helixtrans-64.7-40.8178.3-176.70000111.6H43 N47 E48 K53 T54 A55 I79 L81H43-V51 HydrophobicContact CB-CG2 3.53Å; N47-V51 WeakPolarHBondContact O-CG2 3.37Å; N47-V51 PolarHBondContact O-N 3.17Å; E48-V51 PolarHBondContact O-N 2.96Å; V51-K53 VanDerWaalsContact C-N 3.34Å; V51-T54 PolarHBondContact O-N 3.17Å; V51-A55 VanDerWaalsContact O-CB 3.29Å; V51-A55 WeakPolarHBondContact O-CB 3.45Å; V51-A55 PolarHBondContact O-N 2.95Å; V51-I79 HydrophobicContact CB-CG2 4.29Å; V51-I79 HydrophobicContact CG1-CG2 3.79Å; V51-I79 HydrophobicContact CG2-CB 4.48Å; V51-I79 HydrophobicContact CG2-CG2 4.48Å; V51-L81 HydrophobicContact CG1-CB 4.25Å
52N91Very high91.2Very high80 Ų8073 Ų7343%0.42834%0.339SS..Hα-helixtrans-65.8-37176.3-76.2-31.8000111.9E48 E49 K50 K56E48-N52 WeakPolarHBondContact CG-ND2 3.37Å; E48-N52 WeakPolarHBondContact O-CB 3.21Å; E48-N52 PolarHBondContact O-N 3.08Å; E48-N52 PolarHBondContact O-ND2 2.83Å; E49-N52 PolarHBondContact O-N 3.38Å; K50-N52 PolarHBondContact O-N 3.48Å; N52-K56 VanDerWaalsContact O-CB 3.31Å; N52-K56 WeakPolarHBondContact O-CB 3.3Å; N52-K56 PolarHBondContact O-N 3.02Å
53K90.4Very high91.4Very high58 Ų5873.8 Ų73.825%0.25234%0.341SS..Hα-helixtrans-63.6-50.3171.1-171-170.9179.7-145.40111.7E49 K50 V51 A55 K56 H57 E145 V147E49-K53 WeakPolarHBondContact O-CB 3.42Å; E49-K53 PolarHBondContact O-N 2.85Å; K50-K53 WeakPolarHBondContact O-CB 3.5Å; K50-K53 PolarHBondContact O-N 2.78Å; V51-K53 VanDerWaalsContact C-N 3.34Å; K53-A55 PolarHBondContact O-N 3.01Å; K53-K56 WeakPolarHBondContact O-CB 3.35Å; K53-K56 PolarHBondContact O-N 3.11Å; K53-K56 VanDerWaalsContact O-N 3.17Å; K53-H57 PolarHBondContact O-N 3.31Å; K53-E145 PolarHBondContact NZ-O 2.86Å; K53-V147 VanDerWaalsContact CE-O 3.3Å; K53-V147 WeakPolarHBondContact CE-O 3.45Å; K53-V147 PolarHBondContact NZ-O 3.26Å
54T93.1Very high91.5Very high5 Ų577.6 Ų77.63%0.03137%0.368CS..Hα-helixtrans-56-47.9175.3-61.70000111.2K50 V51 K56 H57 L58 L81 M144 E145K50-T54 WeakPolarHBondContact O-CB 3.45Å; K50-T54 PolarHBondContact O-N 3.23Å; K50-T54 PolarHBondContact O-OG1 2.93Å; V51-T54 PolarHBondContact O-N 3.17Å; T54-K56 PolarHBondContact O-N 3Å; T54-H57 PolarHBondContact O-N 3.26Å; T54-L58 HydrophobicContact CG2-CD1 3.77Å; T54-L58 HydrophobicContact CG2-CG 4.39Å; T54-L58 VanDerWaalsContact O-CG 3.27Å; T54-L58 WeakPolarHBondContact O-CG 3.4Å; T54-L58 PolarHBondContact O-N 3.41Å; T54-L81 HydrophobicContact CG2-CD2 3.66Å; T54-M144 HydrophobicContact CG2-CB 4.1Å; T54-E145 VanDerWaalsContact OG1-CA 3.23Å; T54-E145 WeakPolarHBondContact OG1-CA 3.34Å; T54-E145 WeakPolarHBondContact OG1-CB 3.17Å; T54-E145 PolarHBondContact OG1-N 2.87Å; T54-E145 PolarHBondContact OG1-OE2 3.03Å
55A94.2Very high91.9Very high6 Ų671.3 Ų71.35%0.0534%0.341CS..Hα-helixtrans-63.4-38.2176.700000113.1V51 K53 K59 F69 L81V51-A55 VanDerWaalsContact O-CB 3.29Å; V51-A55 WeakPolarHBondContact O-CB 3.45Å; V51-A55 PolarHBondContact O-N 2.95Å; K53-A55 PolarHBondContact O-N 3.01Å; A55-K59 WeakPolarHBondContact O-CB 3.5Å; A55-K59 WeakPolarHBondContact O-CG 3.2Å; A55-K59 PolarHBondContact O-N 2.91Å; A55-K59 VanDerWaalsContact O-N 3.11Å; A55-F69 HydrophobicContact CB-CD2 4.23Å; A55-F69 HydrophobicContact CB-CE2 3.68Å; A55-L81 HydrophobicContact CB-CD1 4.35Å
56K94.2Very high92.5Very high148 Ų14865 Ų6564%0.64332%0.318SS*.Hα-helixtrans-63.6-41.2173.9-176.8-176.6178.8-175.40111.4N52 K53 T54 T60N52-K56 VanDerWaalsContact O-CB 3.31Å; N52-K56 WeakPolarHBondContact O-CB 3.3Å; N52-K56 PolarHBondContact O-N 3.02Å; K53-K56 WeakPolarHBondContact O-CB 3.35Å; K53-K56 PolarHBondContact O-N 3.11Å; K53-K56 VanDerWaalsContact O-N 3.17Å; T54-K56 PolarHBondContact O-N 3Å; K56-T60 WeakPolarHBondContact O-CG2 3.26Å; K56-T60 PolarHBondContact O-N 2.94Å; K56-T60 PolarHBondContact O-OG1 2.8Å
57H94.9Very high93Very high29 Ų2959.5 Ų59.513%0.13429%0.288CS..Hα-helixtrans-66.5-53.4176.2-70.8157.3000112.2K53 T54 K59 T60 L61 M144 V147K53-H57 PolarHBondContact O-N 3.31Å; T54-H57 PolarHBondContact O-N 3.26Å; H57-K59 PolarHBondContact O-N 2.97Å; H57-T60 PolarHBondContact O-N 3.17Å; H57-T60 PolarHBondContact O-OG1 3.32Å; H57-L61 HydrophobicContact CB-CD1 4.29Å; H57-L61 WeakPolarHBondContact O-CB 3.45Å; H57-L61 PolarHBondContact O-N 2.77Å; H57-M144 HydrophobicContact CB-CB 3.78Å; H57-M144 HydrophobicContact CB-CG 4.37Å; H57-M144 PolarHBondContact ND1-O 3.08Å; H57-V147 PolarHBondContact CE1-O 3.32Å
58L94.9Very high93.4Very high12 Ų1263.8 Ų63.86%0.06330%0.301CS..Hα-helixtrans-60.9-28.4-179.4-60.9163000113.1T54 L67 F69 L81 M144T54-L58 HydrophobicContact CG2-CD1 3.77Å; T54-L58 HydrophobicContact CG2-CG 4.39Å; T54-L58 VanDerWaalsContact O-CG 3.27Å; T54-L58 WeakPolarHBondContact O-CG 3.4Å; T54-L58 PolarHBondContact O-N 3.41Å; L58-L67 HydrophobicContact CD2-CB 4.19Å; L58-L67 WeakPolarHBondContact CD2-O 3.44Å; L58-F69 HydrophobicContact CB-CB 3.72Å; L58-F69 HydrophobicContact CB-CD2 4.45Å; L58-F69 HydrophobicContact CB-CG 4.5Å; L58-F69 HydrophobicContact CD1-CD2 4.45Å; L58-L81 HydrophobicContact CD1-CD1 4.36Å; L58-L81 HydrophobicContact CD1-CD2 4.18Å; L58-M144 HydrophobicContact CD2-CB 4.41Å; L58-M144 HydrophobicContact CD2-CE 4.21Å; L58-M144 HydrophobicContact CD2-CG 3.43Å; L58-M144 VanDerWaalsContact CD2-CG 3.43Å; L58-M144 HydrophobicContact CG-CB 4.33Å; L58-M144 HydrophobicContact CG-CG 3.82Å
59K93.9Very high93.8Very high76 Ų7660.3 Ų60.333%0.3329%0.285SS..Hα-helixtrans-73.1-33.5173.8-77.4176.1179.7-174.80113.9A55 H57 R62 F69A55-K59 WeakPolarHBondContact O-CB 3.5Å; A55-K59 WeakPolarHBondContact O-CG 3.2Å; A55-K59 PolarHBondContact O-N 2.91Å; A55-K59 VanDerWaalsContact O-N 3.11Å; H57-K59 PolarHBondContact O-N 2.97Å; K59-R62 PolarHBondContact O-NE 3.48Å; K59-F69 HydrophobicContact CD-CD1 4.5Å; K59-F69 HydrophobicContact CD-CE1 4.26Å; K59-F69 HydrophobicContact CD-CZ 4.49Å; K59-F69 HydrophobicContact CG-CD1 3.84Å; K59-F69 HydrophobicContact CG-CE1 4.11Å; K59-F69 HydrophobicContact CG-CG 4.11Å
60T94.4Very high94.1Very high99 Ų9955 Ų5561%0.60726%0.261SS*.Hα-helixtrans-96.1-38.3-173.251.10000113K56 H57 R62K56-T60 WeakPolarHBondContact O-CG2 3.26Å; K56-T60 PolarHBondContact O-N 2.94Å; K56-T60 PolarHBondContact O-OG1 2.8Å; H57-T60 PolarHBondContact O-N 3.17Å; H57-T60 PolarHBondContact O-OG1 3.32Å; T60-R62 PolarHBondContact O-N 3.16Å
61L94.5Very high94.3Very high22 Ų2252.4 Ų52.412%0.11525%0.252CS..  trans-88.775179.2-61.8171.5000110.3H57 L66 F114 L115 V147H57-L61 HydrophobicContact CB-CD1 4.29Å; H57-L61 WeakPolarHBondContact O-CB 3.45Å; H57-L61 PolarHBondContact O-N 2.77Å; L61-L66 HydrophobicContact CB-CD1 3.9Å; L61-L66 VanDerWaalsContact O-CD1 3.29Å; L61-L66 WeakPolarHBondContact O-CD1 3.42Å; L61-F114 HydrophobicContact CB-CE1 4.41Å; L61-F114 HydrophobicContact CD2-CE1 4.38Å; L61-L115 HydrophobicContact CD1-CD1 3.67Å; L61-L115 HydrophobicContact CD2-CD1 4.35Å; L61-V147 HydrophobicContact CD1-CG1 4.36Å
62R93.6Very high94.3Very high160 Ų16054.5 Ų54.560%0.60427%0.267SS*.  trans-88109.2-179.6-58.8-171.4-175.8-156.20.3111.1E4 K59 T60E4-R62 IonicContact OE1-NH2 3.75Å; E4-R62 PolarHBondContact OE1-NH2 2.82Å; E4-R62 IonicContact OE2-CZ 3.53Å; E4-R62 IonicContact OE2-NH1 3.83Å; E4-R62 IonicContact OE2-NH2 3.76Å; E4-R62 PolarHBondContact OE2-NH2 3.37Å; K59-R62 PolarHBondContact O-NE 3.48Å; T60-R62 PolarHBondContact O-N 3.16Å
63H95.8Very high94.2Very high43 Ų4352.2 Ų52.220%0.19926%0.257CS..  trans-148.8145.2177.1174.9-100.7000110.1C65 L66 F114H63-C65 VanDerWaalsContact C-N 3.27Å; H63-C65 PolarHBondContact ND1-N 3.29Å; H63-C65 PolarHBondContact O-N 3.02Å; H63-C65 VanDerWaalsContact O-N 3.16Å; H63-L66 HydrophobicContact CB-CB 4.44Å; H63-L66 HydrophobicContact CB-CD1 3.82Å; H63-L66 HydrophobicContact CB-CG 3.91Å; H63-L66 PolarHBondContact O-N 2.78Å; H63-F114 HydrophobicContact CB-CD1 3.76Å; H63-F114 HydrophobicContact CB-CD2 4.14Å; H63-F114 HydrophobicContact CB-CE1 3.78Å; H63-F114 HydrophobicContact CB-CE2 4.15Å; H63-F114 HydrophobicContact CB-CG 3.96Å; H63-F114 HydrophobicContact CB-CZ 3.97Å; H63-F114 AromaticContact CD2-CD2 3.71Å; H63-F114 AromaticContact CD2-CG 3.72Å; H63-F114 AromaticContact CG-CG 3.82Å
64P95.1Very high94Very high98 Ų9853.7 Ų53.764%0.63627%0.271SS*.THydrogen-bonded Turntrans-58.6-32.7-172-27.836.7000115.5K140P64-K140 WeakPolarHBondContact O-CD 3.4Å; P64-K140 VanDerWaalsContact O-CE 3.3Å; P64-K140 WeakPolarHBondContact O-CE 3.49Å; P64-K140 PolarHBondContact O-NZ 2.72Å
65C97.5Very high93.5Very high6 Ų656.5 Ų56.54%0.04128%0.284CS..THydrogen-bonded Turntrans-97.911.4-178.3-44.50000113.1H63 D107 A111 K140 L141H63-C65 VanDerWaalsContact C-N 3.27Å; H63-C65 PolarHBondContact ND1-N 3.29Å; H63-C65 PolarHBondContact O-N 3.02Å; H63-C65 VanDerWaalsContact O-N 3.16Å; C65-D107 HydrophobicContact CB-CB 4.15Å; C65-D107 WeakPolarHBondContact CB-O 3.39Å; C65-A111 HydrophobicContact CB-CB 4.01Å; C65-A111 WeakPolarHBondContact O-CB 3.47Å; C65-K140 WeakPolarHBondContact O-CA 3.33Å; C65-L141 PolarHBondContact O-N 3.04Å
66L97.6Very high92.2Very high5 Ų564.3 Ų64.33%0.02632%0.324CS..BIsolated β-bridgetrans-99.1148163.2-61.3178.1000108.4L61 H63 R68 A111 F114 L141 M144L61-L66 HydrophobicContact CB-CD1 3.9Å; L61-L66 VanDerWaalsContact O-CD1 3.29Å; L61-L66 WeakPolarHBondContact O-CD1 3.42Å; H63-L66 HydrophobicContact CB-CB 4.44Å; H63-L66 HydrophobicContact CB-CD1 3.82Å; H63-L66 HydrophobicContact CB-CG 3.91Å; H63-L66 PolarHBondContact O-N 2.78Å; L66-R68 PolarHBondContact O-N 3.38Å; L66-A111 HydrophobicContact CD2-CB 3.82Å; L66-A111 HydrophobicContact CG-CB 4.49Å; L66-F114 HydrophobicContact CD1-CD1 3.91Å; L66-F114 HydrophobicContact CD1-CE1 3.77Å; L66-L141 HydrophobicContact CD2-CB 4.1Å; L66-L141 HydrophobicContact CD2-CD2 4.22Å; L66-M144 HydrophobicContact CB-CE 4.25Å; L66-M144 HydrophobicContact CD2-CE 3.7Å; L66-M144 HydrophobicContact CG-CE 4.41Å
67L96.6Very high91.4Very high10 Ų1060 Ų605%0.05232%0.322CS..PPolyproline II helixtrans-61.7129.2178.3-176.459.1000111F41 L58 T83 E84 V86 F132 K140 L141F41-L67 HydrophobicContact CE2-CD2 3.94Å; F41-L67 HydrophobicContact CZ-CD2 4.06Å; L58-L67 HydrophobicContact CD2-CB 4.19Å; L58-L67 WeakPolarHBondContact CD2-O 3.44Å; L67-T83 HydrophobicContact CD1-CG2 4.44Å; L67-T83 HydrophobicContact CD2-CG2 3.95Å; L67-T83 HydrophobicContact CG-CG2 3.98Å; L67-E84 HydrophobicContact CD1-CG 4.31Å; L67-V86 HydrophobicContact CD1-CB 4.44Å; L67-V86 HydrophobicContact CD1-CG1 3.78Å; L67-V86 HydrophobicContact CD1-CG2 3.75Å; L67-F132 HydrophobicContact CD2-CD2 4.32Å; L67-K140 HydrophobicContact CB-CB 4.37Å; L67-K140 HydrophobicContact CD1-CB 4.39Å; L67-L141 PolarHBondContact N-O 3.1Å
68R95.5Very high91Very high133 Ų13358.6 Ų58.650%0.50232%0.316SS..PPolyproline II helixtrans-88.4119.5-175.8-170171.554.991.80.9112.8L66 L70 T83 E84L66-R68 PolarHBondContact O-N 3.38Å; R68-L70 VanDerWaalsContact NH1-CD2 3.3Å; R68-T83 CarbonylContact O-C 3.48Å; R68-T83 VanDerWaalsContact O-CA 3.24Å; R68-T83 WeakPolarHBondContact O-CA 3.49Å; R68-T83 WeakPolarHBondContact O-CB 3.27Å; R68-E84 HydrophobicContact CB-CB 4.25Å; R68-E84 HydrophobicContact CB-CG 3.94Å; R68-E84 VanDerWaalsContact CB-OE1 3.3Å; R68-E84 WeakPolarHBondContact CB-OE1 3.38Å; R68-E84 WeakPolarHBondContact CB-OE2 3.32Å; R68-E84 IonicContact CZ-OE2 2.67Å; R68-E84 PolarHBondContact N-OE1 3.47Å; R68-E84 IonicContact NE-OE2 3.68Å; R68-E84 PolarHBondContact NE-OE2 3.44Å; R68-E84 IonicContact NH2-OE2 3.88Å; R68-E84 PolarHBondContact NH2-OE2 3.38Å; R68-E84 VanDerWaalsContact NH2-OE2 3.16Å; R68-E84 PolarHBondContact O-N 2.85Å
69F95.6Very high90.8Very high31 Ų3158.2 Ų58.214%0.13631%0.313CS..EExtended strand (participates in β ladder)trans-62.5142.1170-179.1-88.4000112.5A55 L58 K59 S71 C72 L81A55-F69 HydrophobicContact CB-CD2 4.23Å; A55-F69 HydrophobicContact CB-CE2 3.68Å; L58-F69 HydrophobicContact CB-CB 3.72Å; L58-F69 HydrophobicContact CB-CD2 4.45Å; L58-F69 HydrophobicContact CB-CG 4.5Å; L58-F69 HydrophobicContact CD1-CD2 4.45Å; K59-F69 HydrophobicContact CD-CD1 4.5Å; K59-F69 HydrophobicContact CD-CE1 4.26Å; K59-F69 HydrophobicContact CD-CZ 4.49Å; K59-F69 HydrophobicContact CG-CD1 3.84Å; K59-F69 HydrophobicContact CG-CE1 4.11Å; K59-F69 HydrophobicContact CG-CG 4.11Å; F69-S71 WeakPolarHBondContact CE2-O 3.33Å; F69-C72 HydrophobicContact CE2-CB 4.05Å; F69-C72 HydrophobicContact CZ-CB 4.12Å; F69-L81 HydrophobicContact CD2-CD1 3.72Å; F69-L81 HydrophobicContact CE2-CD1 3.65Å
70L94.2Very high90.8Very high57 Ų5755.2 Ų55.230%0.29830%0.301SS..EExtended strand (participates in β ladder)trans-116.5-55.7166.6-59.8-177.3000111.7L32 A38 R68 V82 T83L32-L70 HydrophobicContact CD1-CD1 3.82Å; L32-L70 HydrophobicContact CD2-CD1 4.42Å; A38-L70 HydrophobicContact CB-CD1 4.17Å; R68-L70 VanDerWaalsContact NH1-CD2 3.3Å; L70-V82 HydrophobicContact CB-CB 4.46Å; L70-V82 HydrophobicContact CB-CG1 4.29Å; L70-V82 WeakPolarHBondContact CB-O 3.47Å; L70-V82 HydrophobicContact CD1-CG1 4.28Å; L70-V82 PolarHBondContact N-O 2.94Å; L70-T83 VanDerWaalsContact CD1-O 3.24Å; L70-T83 WeakPolarHBondContact CD1-O 3.23Å
71S92.1Very high90.8Very high22 Ų2250.8 Ų50.815%0.15427%0.273CS..EExtended strand (participates in β ladder)trans-156168.6-179.371.40000112.4F69 V82F69-S71 WeakPolarHBondContact CE2-O 3.33Å; S71-V82 PolarHBondContact N-O 3.21Å; S71-V82 PolarHBondContact O-N 2.93Å; S71-V82 WeakPolarHBondContact OG-CB 3.46Å; S71-V82 WeakPolarHBondContact OG-CG2 3.39Å
72C91.2Very high90.8Very high45 Ų4549.8 Ų49.830%0.30427%0.268SS..EExtended strand (participates in β ladder)trans-136.1138.7168.6-174.80000107.9F69 H80F69-C72 HydrophobicContact CE2-CB 4.05Å; F69-C72 HydrophobicContact CZ-CB 4.12Å; C72-H80 WeakPolarHBondContact CA-O 3.48Å
73S88.8Confident90.9Very high31 Ų3142.2 Ų42.222%0.21724%0.239CC..EExtended strand (participates in β ladder)trans-149.9145.1178.860.40000111.4Q75 H80S73-Q75 PolarHBondContact OG-NE2 3.31Å; S73-H80 PolarHBondContact N-O 2.81Å; S73-H80 PolarHBondContact O-N 3.47Å
74V86.3Confident90.8Very high89 Ų8941.3 Ų41.354%0.53924%0.235SC..EExtended strand (participates in β ladder)trans-90.1133.2169.4-1730000108.4I79V74-I79 HydrophobicContact CG2-CG1 4.32Å; V74-I79 HydrophobicContact CG2-CG2 4.38Å
75Q81.9Confident90.8Very high65 Ų6538.6 Ų38.630%0.30421%0.214SC..  trans-136.2177.3-178.4-57.4-171.222.400110.7S73 G77 G78 H80S73-Q75 PolarHBondContact OG-NE2 3.31Å; Q75-G77 PolarHBondContact O-N 3.09Å; Q75-G78 PolarHBondContact N-O 3.07Å; Q75-G78 PolarHBondContact O-N 3.32Å; Q75-H80 PolarHBondContact NE2-ND1 3.08Å; Q75-H80 PolarHBondContact OE1-CE1 2.83Å; Q75-H80 PolarHBondContact OE1-ND1 2.99Å
76D68.2Low90.8Very high169 Ų16938.4 Ų38.490%0.90421%0.213SC*.SBendtrans-76.969.2-176.5-80-44.7000113.3R45R45-D76 IonicContact NH2-OD1 3.65Å
77G76.1Confident90.7Very high58 Ų5842.3 Ų42.360%0.59823%0.231SC*.SBendtrans170.2-32.7174.500000112Q75Q75-G77 PolarHBondContact O-N 3.09Å
78G87.4Confident90.6Very high0 Ų042 Ų420%023%0.229CC..SBendtrans-176.9-159.4-175.300000113.9H43 Q75H43-G78 CarbonylContact O-C 3.58Å; H43-G78 WeakPolarHBondContact O-CA 3.43Å; Q75-G78 PolarHBondContact N-O 3.07Å; Q75-G78 PolarHBondContact O-N 3.32Å
79I91.7Very high90.7Very high3 Ų335.7 Ų35.72%0.01521%0.206CC..EExtended strand (participates in β ladder)trans-110.8118.4176.1-48.4176.9000107.1H43 E48 V51 V74H43-I79 PolarHBondContact N-O 2.86Å; H43-I79 PolarHBondContact O-N 2.89Å; E48-I79 VanDerWaalsContact CA-CD1 3.42Å; E48-I79 HydrophobicContact CB-CD1 3.56Å; E48-I79 HydrophobicContact CG-CD1 3.95Å; V51-I79 HydrophobicContact CB-CG2 4.29Å; V51-I79 HydrophobicContact CG1-CG2 3.79Å; V51-I79 HydrophobicContact CG2-CB 4.48Å; V51-I79 HydrophobicContact CG2-CG2 4.48Å; V74-I79 HydrophobicContact CG2-CG1 4.32Å; V74-I79 HydrophobicContact CG2-CG2 4.38Å
80H92.8Very high90.6Very high14 Ų1438 Ų387%0.06522%0.217CC..EExtended strand (participates in β ladder)trans-99.5103.5-173-65.4-168.1000108.6V40 C72 S73 Q75V40-H80 HydrophobicContact CG1-CB 3.79Å; C72-H80 WeakPolarHBondContact CA-O 3.48Å; S73-H80 PolarHBondContact N-O 2.81Å; S73-H80 PolarHBondContact O-N 3.47Å; Q75-H80 PolarHBondContact NE2-ND1 3.08Å; Q75-H80 PolarHBondContact OE1-CE1 2.83Å; Q75-H80 PolarHBondContact OE1-ND1 2.99Å
81L93.8Very high90.5Very high6 Ų639.7 Ų39.73%0.03123%0.226CC..EExtended strand (participates in β ladder)trans-88.5115.5171.4174.364.7000108.4V40 F41 V51 T54 A55 L58 F69V40-L81 WeakPolarHBondContact CA-O 3.29Å; F41-L81 HydrophobicContact CB-CB 4.31Å; F41-L81 PolarHBondContact N-O 2.99Å; F41-L81 PolarHBondContact O-N 2.96Å; V51-L81 HydrophobicContact CG1-CB 4.25Å; T54-L81 HydrophobicContact CG2-CD2 3.66Å; A55-L81 HydrophobicContact CB-CD1 4.35Å; L58-L81 HydrophobicContact CD1-CD1 4.36Å; L58-L81 HydrophobicContact CD1-CD2 4.18Å; F69-L81 HydrophobicContact CD2-CD1 3.72Å; F69-L81 HydrophobicContact CE2-CD1 3.65Å
82V94.6Very high90.6Very high1 Ų139.9 Ų39.91%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-104.3129.4-174.2-168.40000109.8L32 A38 V40 L70 S71L32-V82 HydrophobicContact CD2-CG1 4.08Å; A38-V82 HydrophobicContact CB-CG1 4.11Å; V40-V82 HydrophobicContact CG2-CG1 4.15Å; V40-V82 HydrophobicContact CG2-CG2 4.14Å; L70-V82 HydrophobicContact CB-CB 4.46Å; L70-V82 HydrophobicContact CB-CG1 4.29Å; L70-V82 WeakPolarHBondContact CB-O 3.47Å; L70-V82 HydrophobicContact CD1-CG1 4.28Å; L70-V82 PolarHBondContact N-O 2.94Å; S71-V82 PolarHBondContact N-O 3.21Å; S71-V82 PolarHBondContact O-N 2.93Å; S71-V82 WeakPolarHBondContact OG-CB 3.46Å; S71-V82 WeakPolarHBondContact OG-CG2 3.39Å
83T95.4Very high90.7Very high0 Ų039.2 Ų39.20%022%0.218CC..EExtended strand (participates in β ladder)trans-126.5173.4-178.867.40000111.2A38 S39 F41 L67 R68 L70A38-T83 WeakPolarHBondContact CB-O 3.36Å; S39-T83 PolarHBondContact N-O 3.18Å; S39-T83 PolarHBondContact O-N 2.9Å; S39-T83 PolarHBondContact O-OG1 3.19Å; F41-T83 HydrophobicContact CD2-CG2 4.06Å; F41-T83 HydrophobicContact CE2-CG2 3.83Å; L67-T83 HydrophobicContact CD1-CG2 4.44Å; L67-T83 HydrophobicContact CD2-CG2 3.95Å; L67-T83 HydrophobicContact CG-CG2 3.98Å; R68-T83 CarbonylContact O-C 3.48Å; R68-T83 VanDerWaalsContact O-CA 3.24Å; R68-T83 WeakPolarHBondContact O-CA 3.49Å; R68-T83 WeakPolarHBondContact O-CB 3.27Å; L70-T83 VanDerWaalsContact CD1-O 3.24Å; L70-T83 WeakPolarHBondContact CD1-O 3.23Å
84E94.9Very high90.8Very high24 Ų2445.9 Ų45.911%0.11225%0.251CS..EExtended strand (participates in β ladder)trans-54.2154.3163.573.4-168.3158.700111.9L67 R68 V86 K140L67-E84 HydrophobicContact CD1-CG 4.31Å; R68-E84 HydrophobicContact CB-CB 4.25Å; R68-E84 HydrophobicContact CB-CG 3.94Å; R68-E84 VanDerWaalsContact CB-OE1 3.3Å; R68-E84 WeakPolarHBondContact CB-OE1 3.38Å; R68-E84 WeakPolarHBondContact CB-OE2 3.32Å; R68-E84 IonicContact CZ-OE2 2.67Å; R68-E84 PolarHBondContact N-OE1 3.47Å; R68-E84 IonicContact NE-OE2 3.68Å; R68-E84 PolarHBondContact NE-OE2 3.44Å; R68-E84 IonicContact NH2-OE2 3.88Å; R68-E84 PolarHBondContact NH2-OE2 3.38Å; R68-E84 VanDerWaalsContact NH2-OE2 3.16Å; R68-E84 PolarHBondContact O-N 2.85Å; E84-V86 HydrophobicContact CG-CG1 4.02Å; E84-V86 PolarHBondContact O-N 3.08Å; E84-K140 IonicContact OE1-NZ 1.78Å; E84-K140 PolarHBondContact OE1-NZ 2.83Å; E84-K140 IonicContact OE2-NZ 3.19Å
85H95.6Very high91Very high42 Ų4245.8 Ų45.819%0.19425%0.254CS..SBendtrans-67.8121.4-179.2-169.7-135.8000110.7S29 P37 S39 E135S29-H85 PolarHBondContact OG-NE2 2.93Å; P37-H85 HydrophobicContact CB-CB 3.91Å; P37-H85 HydrophobicContact CG-CB 4.18Å; S39-H85 PolarHBondContact OG-CD2 2.9Å; H85-E135 HydrophobicContact CB-CG 4.38Å; H85-E135 IonicContact CE1-OE1 2.87Å; H85-E135 IonicContact CG-OE1 2.91Å; H85-E135 IonicContact ND1-OE1 2.75Å; H85-E135 PolarHBondContact ND1-OE1 2.77Å
86V96.4Very high91.5Very high2 Ų243.9 Ų43.91%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-146.2157.4178.2-59.40000109.8M27 S39 L67 E84 F132 V133 K140M27-V86 HydrophobicContact CE-CG2 3.78Å; M27-V86 WeakPolarHBondContact CE-O 3.32Å; S39-V86 PolarHBondContact OG-N 3.09Å; S39-V86 PolarHBondContact OG-O 2.91Å; L67-V86 HydrophobicContact CD1-CB 4.44Å; L67-V86 HydrophobicContact CD1-CG1 3.78Å; L67-V86 HydrophobicContact CD1-CG2 3.75Å; E84-V86 HydrophobicContact CG-CG1 4.02Å; E84-V86 PolarHBondContact O-N 3.08Å; V86-F132 HydrophobicContact CB-CB 3.79Å; V86-F132 HydrophobicContact CG1-CB 4.42Å; V86-F132 HydrophobicContact CG2-CB 3.62Å; V86-F132 HydrophobicContact CG2-CD1 4.12Å; V86-F132 HydrophobicContact CG2-CG 4.02Å; V86-V133 CarbonylContact C-O 3.54Å; V86-V133 WeakPolarHBondContact CA-O 3.46Å; V86-V133 WeakPolarHBondContact CB-O 3.43Å; V86-K140 HydrophobicContact CG1-CG 4.16Å
87Q95.2Very high92.7Very high87 Ų8736.8 Ų36.841%0.40721%0.21SC..EExtended strand (participates in β ladder)trans-113.6149.9170.3-61.6-178.6-8900110.2L92 F132 V133Q87-L92 HydrophobicContact CB-CD1 3.94Å; Q87-L92 HydrophobicContact CB-CG 4.45Å; Q87-F132 CarbonylContact O-C 3.56Å; Q87-F132 VanDerWaalsContact O-CA 3.22Å; Q87-F132 WeakPolarHBondContact O-CA 3.29Å; Q87-F132 WeakPolarHBondContact O-CB 3.5Å; Q87-V133 PolarHBondContact N-O 3.31Å; Q87-V133 PolarHBondContact O-N 3.39Å
88P95.8Very high93.5Very high3 Ų335.9 Ų35.92%0.01919%0.193CC..EExtended strand (participates in β ladder)trans-59.2136.5172-18.829.4000111.5L19 M27 E90 L91 F132L19-P88 HydrophobicContact CB-CG 4.11Å; L19-P88 HydrophobicContact CD2-CB 3.88Å; L19-P88 HydrophobicContact CD2-CG 3.99Å; M27-P88 HydrophobicContact SD-CG 3.64Å; P88-E90 VanDerWaalsContact C-N 3.27Å; P88-E90 PolarHBondContact O-N 3.46Å; P88-L91 HydrophobicContact CB-CD1 4.43Å; P88-L91 HydrophobicContact CB-CG 4.25Å; P88-L91 HydrophobicContact CG-CD1 3.99Å; P88-L91 HydrophobicContact CG-CG 4.34Å; P88-L91 PolarHBondContact O-N 3.07Å; P88-F132 HydrophobicContact CB-CD1 4.5Å
89L96.6Very high93.8Very high0 Ų036.1 Ų36.10%020%0.195CC..G310 helixtrans-57.4-41.2178.6173.959.6000112.2L91 L92 L93 L96 L128 V131 V133 W139L89-L91 PolarHBondContact O-N 2.87Å; L89-L91 VanDerWaalsContact O-N 3.11Å; L89-L92 PolarHBondContact O-N 2.93Å; L89-L93 HydrophobicContact CD1-CD2 3.72Å; L89-L93 HydrophobicContact CD1-CG 4.33Å; L89-L93 HydrophobicContact CD2-CD2 4.36Å; L89-L93 HydrophobicContact CG-CD2 3.89Å; L89-L93 HydrophobicContact CG-CG 4.27Å; L89-L93 PolarHBondContact O-N 3.24Å; L89-L96 HydrophobicContact CD1-CD1 3.67Å; L89-L128 HydrophobicContact CD2-CD2 3.92Å; L89-V131 HydrophobicContact CB-CB 4.2Å; L89-V131 HydrophobicContact CB-CG1 4.25Å; L89-V131 VanDerWaalsContact CB-O 3.23Å; L89-V131 WeakPolarHBondContact CB-O 3.29Å; L89-V131 HydrophobicContact CD2-CB 3.92Å; L89-V131 HydrophobicContact CD2-CG1 3.86Å; L89-V131 PolarHBondContact N-O 2.75Å; L89-V133 HydrophobicContact CB-CG2 4.47Å; L89-V133 HydrophobicContact CD1-CG2 4Å; L89-W139 HydrophobicContact CD1-CD2 4.27Å; L89-W139 HydrophobicContact CD1-CH2 3.84Å; L89-W139 HydrophobicContact CD1-CZ2 3.33Å; L89-W139 HydrophobicContact CD1-CZ3 4.48Å; L89-W139 HydrophobicContact CD2-CD2 4.25Å; L89-W139 HydrophobicContact CD2-CE3 3.9Å; L89-W139 HydrophobicContact CD2-CH2 3.57Å; L89-W139 HydrophobicContact CD2-CZ2 3.94Å; L89-W139 HydrophobicContact CD2-CZ3 3.55Å; L89-W139 HydrophobicContact CG-CH2 4.35Å; L89-W139 HydrophobicContact CG-CZ2 4.29Å
90E93Very high93.9Very high81 Ų8137.1 Ų37.138%0.37920%0.199SC..G310 helixtrans-58.1-26-177.7-63.5176.6166.300113.6P88 L92 L128 S129P88-E90 VanDerWaalsContact C-N 3.27Å; P88-E90 PolarHBondContact O-N 3.46Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-L128 HydrophobicContact CG-CB 3.86Å; E90-S129 WeakPolarHBondContact OE1-CA 3.12Å; E90-S129 VanDerWaalsContact OE1-CB 3.31Å; E90-S129 WeakPolarHBondContact OE1-CB 3.21Å; E90-S129 PolarHBondContact OE1-N 2.87Å
91L93.3Very high94.1Very high92 Ų9236.6 Ų36.648%0.48220%0.197SC..G310 helixtrans-84.6-7176.7-59.9-175.8000113.6L18 L19 P88 L89L18-L91 HydrophobicContact CB-CD1 4.49Å; L19-L91 HydrophobicContact CB-CD1 4.44Å; P88-L91 HydrophobicContact CB-CD1 4.43Å; P88-L91 HydrophobicContact CB-CG 4.25Å; P88-L91 HydrophobicContact CG-CD1 3.99Å; P88-L91 HydrophobicContact CG-CG 4.34Å; P88-L91 PolarHBondContact O-N 3.07Å; L89-L91 PolarHBondContact O-N 2.87Å; L89-L91 VanDerWaalsContact O-N 3.11Å
92L94.4Very high94.1Very high26 Ų2636.4 Ų36.414%0.13620%0.196CC..THydrogen-bonded Turntrans-117.5-14.8-173.4-65.1179.5000114.2Q87 L89 E90 D94 S95 L96 V133Q87-L92 HydrophobicContact CB-CD1 3.94Å; Q87-L92 HydrophobicContact CB-CG 4.45Å; L89-L92 PolarHBondContact O-N 2.93Å; E90-L92 VanDerWaalsContact C-N 3.34Å; L92-D94 VanDerWaalsContact C-N 3.29Å; L92-D94 PolarHBondContact O-N 3.16Å; L92-D94 VanDerWaalsContact O-N 3.17Å; L92-S95 WeakPolarHBondContact O-CA 3.11Å; L92-S95 PolarHBondContact O-N 3.05Å; L92-S95 PolarHBondContact O-OG 2.85Å; L92-L96 HydrophobicContact CB-CD1 4.28Å; L92-L96 HydrophobicContact CB-CG 4.21Å; L92-L96 PolarHBondContact O-N 3.13Å; L92-L96 VanDerWaalsContact O-N 3.11Å; L92-V133 HydrophobicContact CD1-CB 3.73Å; L92-V133 HydrophobicContact CD1-CG1 4.25Å; L92-V133 HydrophobicContact CD1-CG2 3.8Å
93L93.3Very high94.2Very high30 Ų3036.3 Ų36.316%0.15720%0.196CC..THydrogen-bonded Turntrans-51.5-42-173.8-72173.7000113.9L89 S95 L128 L202 L205L89-L93 HydrophobicContact CD1-CD2 3.72Å; L89-L93 HydrophobicContact CD1-CG 4.33Å; L89-L93 HydrophobicContact CD2-CD2 4.36Å; L89-L93 HydrophobicContact CG-CD2 3.89Å; L89-L93 HydrophobicContact CG-CG 4.27Å; L89-L93 PolarHBondContact O-N 3.24Å; L93-S95 PolarHBondContact O-N 2.68Å; L93-L128 HydrophobicContact CD1-CD1 4.29Å; L93-L202 HydrophobicContact CD2-CD2 3.65Å; L93-L205 HydrophobicContact CB-CD1 4.33Å; L93-L205 HydrophobicContact CD2-CD1 4.1Å
94D90.3Very high94.3Very high172 Ų17236.3 Ų36.392%0.9220%0.196SC*.THydrogen-bonded Turntrans-69.3-7.8178.4-68.2-16.7000114.2L92L92-D94 VanDerWaalsContact C-N 3.29Å; L92-D94 PolarHBondContact O-N 3.16Å; L92-D94 VanDerWaalsContact O-N 3.17Å
95S90.6Very high94.4Very high86 Ų8635.2 Ų35.260%0.60119%0.19SC*.THydrogen-bonded Turntrans-119.7-16.8-174.270.10000115L92 L93L92-S95 WeakPolarHBondContact O-CA 3.11Å; L92-S95 PolarHBondContact O-N 3.05Å; L92-S95 PolarHBondContact O-OG 2.85Å; L93-S95 PolarHBondContact O-N 2.68Å
96L93Very high94.5Very high25 Ų2535 Ų3513%0.13119%0.188CC..SBendtrans-75.8143.3178.3-70.1172.1000110.8L89 L92 E100 I101 W139L89-L96 HydrophobicContact CD1-CD1 3.67Å; L92-L96 HydrophobicContact CB-CD1 4.28Å; L92-L96 HydrophobicContact CB-CG 4.21Å; L92-L96 PolarHBondContact O-N 3.13Å; L92-L96 VanDerWaalsContact O-N 3.11Å; L96-E100 HydrophobicContact CB-CB 4.32Å; L96-E100 HydrophobicContact CD2-CB 4.11Å; L96-I101 HydrophobicContact CB-CD1 4.36Å; L96-I101 HydrophobicContact CB-CG1 3.92Å; L96-I101 HydrophobicContact CD1-CG1 4.35Å; L96-W139 HydrophobicContact CD1-CZ2 3.99Å
97S92.4Very high94.6Very high21 Ų2135 Ų3515%0.14719%0.188CC..  trans-74.6156.4170.996.30000111.5E99 E100 I101S97-E99 VanDerWaalsContact CB-OE2 3.26Å; S97-E99 WeakPolarHBondContact CB-OE2 3.48Å; S97-E99 PolarHBondContact O-N 2.91Å; S97-E99 PolarHBondContact OG-N 3.5Å; S97-E99 PolarHBondContact OG-OE2 3.39Å; S97-E100 PolarHBondContact N-OE2 3.18Å; S97-E100 WeakPolarHBondContact O-CA 3.19Å; S97-E100 WeakPolarHBondContact O-CB 3.04Å; S97-E100 PolarHBondContact O-N 2.67Å; S97-E100 PolarHBondContact OG-N 3.42Å; S97-I101 PolarHBondContact O-N 2.87Å
98P93.3Very high94.7Very high38 Ų3830.8 Ų30.825%0.24717%0.168CC..Hα-helixtrans-55.7-32.3175.8-29.438.6000114C102 L206 Y209P98-C102 VanDerWaalsContact O-CB 3.32Å; P98-C102 WeakPolarHBondContact O-CB 3.05Å; P98-C102 PolarHBondContact O-N 3.14Å; P98-L206 HydrophobicContact CB-CD2 3.73Å; P98-L206 WeakPolarHBondContact O-CD2 3.2Å; P98-Y209 VanDerWaalsContact CB-CB 3.45Å; P98-Y209 HydrophobicContact CB-CD1 3.68Å; P98-Y209 HydrophobicContact CB-CD2 4.36Å; P98-Y209 HydrophobicContact CB-CG 3.57Å; P98-Y209 HydrophobicContact CG-CG 4.26Å
99E93.2Very high94.9Very high5 Ų530.7 Ų30.72%0.02317%0.167CC..Hα-helixtrans-64.3-39172.1-59.888162.900112.6S97 S103 Y209 F250 P283 L286S97-E99 VanDerWaalsContact CB-OE2 3.26Å; S97-E99 WeakPolarHBondContact CB-OE2 3.48Å; S97-E99 PolarHBondContact O-N 2.91Å; S97-E99 PolarHBondContact OG-N 3.5Å; S97-E99 PolarHBondContact OG-OE2 3.39Å; E99-S103 VanDerWaalsContact O-CB 3.29Å; E99-S103 WeakPolarHBondContact O-CB 3.43Å; E99-S103 PolarHBondContact O-N 3.15Å; E99-Y209 HydrophobicContact CG-CE1 4.16Å; E99-Y209 HydrophobicContact CG-CE2 3.89Å; E99-Y209 WeakPolarHBondContact CG-OH 3.45Å; E99-Y209 WeakPolarHBondContact OE1-CE2 3.44Å; E99-F250 HydrophobicContact CB-CB 4.2Å; E99-F250 HydrophobicContact CB-CD1 3.79Å; E99-F250 HydrophobicContact CB-CE1 4.39Å; E99-F250 HydrophobicContact CB-CG 4.08Å; E99-F250 HydrophobicContact CG-CB 4.36Å; E99-P283 WeakPolarHBondContact OE1-CD 3.33Å; E99-P283 VanDerWaalsContact OE1-CG 3.28Å; E99-P283 WeakPolarHBondContact OE1-CG 3.42Å; E99-L286 HydrophobicContact CB-CD1 4.46Å; E99-L286 HydrophobicContact CB-CD2 3.53Å; E99-L286 HydrophobicContact CG-CD2 3.68Å
100E94.3Very high94.9Very high24 Ų2432.8 Ų32.811%0.11218%0.177CC..Hα-helixtrans-71.3-38.7177.3-57-167100.800111.8L96 S97 S103 G104 L286 R290L96-E100 HydrophobicContact CB-CB 4.32Å; L96-E100 HydrophobicContact CD2-CB 4.11Å; S97-E100 PolarHBondContact N-OE2 3.18Å; S97-E100 WeakPolarHBondContact O-CA 3.19Å; S97-E100 WeakPolarHBondContact O-CB 3.04Å; S97-E100 PolarHBondContact O-N 2.67Å; S97-E100 PolarHBondContact OG-N 3.42Å; E100-S103 PolarHBondContact O-N 2.99Å; E100-G104 WeakPolarHBondContact O-CA 3.4Å; E100-G104 PolarHBondContact O-N 3.29Å; E100-L286 HydrophobicContact CG-CD1 3.32Å; E100-R290 VanDerWaalsContact OE1-CD 3.23Å; E100-R290 WeakPolarHBondContact OE1-CD 3.31Å; E100-R290 WeakPolarHBondContact OE1-CG 3.3Å; E100-R290 IonicContact OE1-CZ 3.92Å; E100-R290 IonicContact OE1-NE 3.65Å; E100-R290 IonicContact OE1-NH1 3.23Å; E100-R290 PolarHBondContact OE1-NH1 3.34Å
101I95.8Very high95.2Very high4 Ų428.9 Ų28.92%0.02116%0.159CC..Hα-helixtrans-63.6-46.2172.9-64171.8000109.8L96 S97 G104 I105 W139 L202 L205 L206L96-I101 HydrophobicContact CB-CD1 4.36Å; L96-I101 HydrophobicContact CB-CG1 3.92Å; L96-I101 HydrophobicContact CD1-CG1 4.35Å; S97-I101 PolarHBondContact O-N 2.87Å; I101-G104 PolarHBondContact O-N 2.85Å; I101-I105 HydrophobicContact CG2-CD1 3.99Å; I101-I105 WeakPolarHBondContact O-CD1 3.22Å; I101-I105 VanDerWaalsContact O-CG1 3.26Å; I101-I105 WeakPolarHBondContact O-CG1 3.38Å; I101-I105 PolarHBondContact O-N 2.84Å; I101-W139 HydrophobicContact CB-CZ2 4.49Å; I101-W139 HydrophobicContact CG1-CZ2 4.43Å; I101-W139 HydrophobicContact CG2-CH2 4.23Å; I101-L202 HydrophobicContact CG2-CB 4.37Å; I101-L202 HydrophobicContact CG2-CD2 4.38Å; I101-L205 HydrophobicContact CD1-CB 3.99Å; I101-L205 HydrophobicContact CD1-CD1 4.16Å; I101-L206 HydrophobicContact CB-CD2 3.93Å; I101-L206 HydrophobicContact CG2-CD1 4.39Å; I101-L206 HydrophobicContact CG2-CD2 3.84Å; I101-L206 HydrophobicContact CG2-CG 4.32Å
102C95.3Very high95.4Very high1 Ų124.5 Ų24.51%0.00714%0.136CC..Hα-helixtrans-61.6-45.8176.2-174.30000112.3P98 G104 Y106 F245 N248P98-C102 VanDerWaalsContact O-CB 3.32Å; P98-C102 WeakPolarHBondContact O-CB 3.05Å; P98-C102 PolarHBondContact O-N 3.14Å; C102-G104 VanDerWaalsContact C-N 3.31Å; C102-G104 PolarHBondContact O-N 3.33Å; C102-Y106 PolarHBondContact O-N 3.19Å; C102-Y106 VanDerWaalsContact O-N 3.13Å; C102-F245 HydrophobicContact CB-CZ 4.46Å; C102-N248 PolarHBondContact SG-ND2 3.03Å
103S95.6Very high95.6Very high0 Ų024 Ų240%013%0.134CC..Hα-helixtrans-65.5-34.8175.8-176.90000112.5E99 E100 Y106 D107E99-S103 VanDerWaalsContact O-CB 3.29Å; E99-S103 WeakPolarHBondContact O-CB 3.43Å; E99-S103 PolarHBondContact O-N 3.15Å; E100-S103 PolarHBondContact O-N 2.99Å; S103-Y106 WeakPolarHBondContact O-CB 3.39Å; S103-Y106 PolarHBondContact O-N 2.99Å; S103-D107 PolarHBondContact O-N 3.03Å
104G97.3Very high95.8Very high0 Ų024.2 Ų24.20%013%0.134CC..Hα-helixtrans-69.4-43.917900000112.9E100 I101 C102 Y106 D107 V108 W139E100-G104 WeakPolarHBondContact O-CA 3.4Å; E100-G104 PolarHBondContact O-N 3.29Å; I101-G104 PolarHBondContact O-N 2.85Å; C102-G104 VanDerWaalsContact C-N 3.31Å; C102-G104 PolarHBondContact O-N 3.33Å; G104-Y106 PolarHBondContact O-N 3.14Å; G104-D107 PolarHBondContact O-N 2.89Å; G104-D107 VanDerWaalsContact O-N 3.15Å; G104-V108 PolarHBondContact O-N 3.39Å; G104-W139 VanDerWaalsContact C-CD2 3.46Å
105I97.8Very high96.2Very high0 Ų016.1 Ų16.10%09%0.09CC..Hα-helixtrans-56-41.2169.3-67.4162.8000110.1I101 V108 L109 W139 F195 V199 L202 F245 F246I101-I105 HydrophobicContact CG2-CD1 3.99Å; I101-I105 WeakPolarHBondContact O-CD1 3.22Å; I101-I105 VanDerWaalsContact O-CG1 3.26Å; I101-I105 WeakPolarHBondContact O-CG1 3.38Å; I101-I105 PolarHBondContact O-N 2.84Å; I105-V108 PolarHBondContact O-N 2.95Å; I105-L109 VanDerWaalsContact O-CB 3.29Å; I105-L109 WeakPolarHBondContact O-CB 3.46Å; I105-L109 PolarHBondContact O-N 3.49Å; I105-W139 HydrophobicContact CG1-CH2 4.37Å; I105-W139 HydrophobicContact CG1-CZ3 4.06Å; I105-F195 HydrophobicContact CG2-CE2 4.35Å; I105-F195 HydrophobicContact CG2-CZ 3.77Å; I105-V199 HydrophobicContact CD1-CG1 4.45Å; I105-V199 HydrophobicContact CG1-CG2 4.45Å; I105-V199 HydrophobicContact CG2-CG2 3.64Å; I105-L202 HydrophobicContact CD1-CB 4.14Å; I105-L202 HydrophobicContact CD1-CD1 3.95Å; I105-L202 HydrophobicContact CG1-CD1 3.77Å; I105-F245 HydrophobicContact CD1-CE1 4.5Å; I105-F245 HydrophobicContact CD1-CZ 4.39Å; I105-F246 HydrophobicContact CB-CE1 4.35Å; I105-F246 HydrophobicContact CG2-CE1 3.89Å; I105-F246 HydrophobicContact CG2-CZ 3.84Å
106Y97.6Very high96.5Very high38 Ų3812.6 Ų12.615%0.1496%0.064CC..Hα-helixtrans-68.4-35177.1-170-102.8000113.3C102 S103 G104 L109 Q110 L241 F246 L251C102-Y106 PolarHBondContact O-N 3.19Å; C102-Y106 VanDerWaalsContact O-N 3.13Å; S103-Y106 WeakPolarHBondContact O-CB 3.39Å; S103-Y106 PolarHBondContact O-N 2.99Å; G104-Y106 PolarHBondContact O-N 3.14Å; Y106-L109 HydrophobicContact CD2-CD2 4.44Å; Y106-L109 PolarHBondContact O-N 2.97Å; Y106-Q110 HydrophobicContact CD1-CG 4.43Å; Y106-Q110 HydrophobicContact CE1-CG 4.14Å; Y106-Q110 WeakPolarHBondContact O-CG 3.41Å; Y106-Q110 PolarHBondContact O-N 2.8Å; Y106-Q110 PolarHBondContact O-NE2 3.17Å; Y106-L241 HydrophobicContact CD2-CD2 4.45Å; Y106-L241 HydrophobicContact CE2-CD2 3.77Å; Y106-F246 HydrophobicContact CD2-CB 3.93Å; Y106-F246 AromaticContact CD2-CD1 3.63Å; Y106-F246 HydrophobicContact CD2-CD1 3.63Å; Y106-F246 HydrophobicContact CD2-CD2 4.04Å; Y106-F246 HydrophobicContact CD2-CE1 4.08Å; Y106-F246 HydrophobicContact CD2-CE2 4.47Å; Y106-F246 AromaticContact CD2-CG 3.6Å; Y106-F246 HydrophobicContact CD2-CG 3.6Å; Y106-F246 HydrophobicContact CD2-CZ 4.49Å; Y106-F246 HydrophobicContact CE2-CB 4.23Å; Y106-F246 HydrophobicContact CE2-CG 4.25Å; Y106-F246 HydrophobicContact CG-CD1 4.1Å; Y106-F246 HydrophobicContact CG-CE1 4.47Å; Y106-F246 HydrophobicContact CG-CG 4.48Å; Y106-L251 HydrophobicContact CD1-CD1 4.42Å; Y106-L251 HydrophobicContact CD1-CD2 3.72Å; Y106-L251 HydrophobicContact CD2-CD1 4.49Å; Y106-L251 HydrophobicContact CE1-CD2 4.46Å; Y106-L251 HydrophobicContact CG-CD1 4.05Å; Y106-L251 HydrophobicContact CG-CD2 4.12Å
107D98.2Very high96.7Very high1 Ų115.8 Ų15.81%0.0058%0.079CC..Hα-helixtrans-68.8-40.5174.1-73.6-28.9000112C65 S103 G104 Q110 A111 H138 W139 K258C65-D107 HydrophobicContact CB-CB 4.15Å; C65-D107 WeakPolarHBondContact CB-O 3.39Å; S103-D107 PolarHBondContact O-N 3.03Å; G104-D107 PolarHBondContact O-N 2.89Å; G104-D107 VanDerWaalsContact O-N 3.15Å; D107-Q110 VanDerWaalsContact CA-NE2 3.35Å; D107-Q110 PolarHBondContact O-N 3.04Å; D107-Q110 PolarHBondContact OD1-NE2 3.21Å; D107-A111 PolarHBondContact O-N 3.45Å; D107-H138 IonicContact OD1-ND1 3.79Å; D107-H138 IonicContact OD2-CE1 2.99Å; D107-H138 IonicContact OD2-CG 3.89Å; D107-H138 IonicContact OD2-ND1 2.63Å; D107-H138 PolarHBondContact OD2-ND1 3.15Å; D107-W139 HydrophobicContact CB-CB 4.29Å; D107-K258 IonicContact OD1-NZ 3.66Å
108V98.6Very high96.8Very high0 Ų024.5 Ų24.50%011%0.108CC..Hα-helixtrans-66.8-38171.7178.60000111.5G104 I105 Q110 A111 L112 V131 W139 L141 F195 M198G104-V108 PolarHBondContact O-N 3.39Å; I105-V108 PolarHBondContact O-N 2.95Å; V108-Q110 PolarHBondContact O-N 3.02Å; V108-A111 WeakPolarHBondContact O-CB 3.31Å; V108-A111 PolarHBondContact O-N 2.69Å; V108-A111 VanDerWaalsContact O-N 3.16Å; V108-L112 HydrophobicContact CG1-CD1 4.05Å; V108-L112 HydrophobicContact CG1-CG 4.4Å; V108-L112 WeakPolarHBondContact O-CG 3.24Å; V108-L112 PolarHBondContact O-N 3.41Å; V108-V131 HydrophobicContact CG2-CG1 3.92Å; V108-V131 HydrophobicContact CG2-CG2 3.93Å; V108-W139 HydrophobicContact CG2-CB 4.04Å; V108-W139 HydrophobicContact CG2-CE3 3.97Å; V108-L141 HydrophobicContact CG1-CD1 4.49Å; V108-F195 HydrophobicContact CB-CE2 4.26Å; V108-F195 HydrophobicContact CG1-CD2 4.06Å; V108-F195 HydrophobicContact CG1-CE2 3.99Å; V108-M198 HydrophobicContact CG1-CE 4.13Å
109L98.4Very high96.8Very high0 Ų023 Ų230%010%0.1CC..Hα-helixtrans-59.8-45.1174.8-175.961000111.7I105 Y106 A111 L112 V113 F195 L237 L240 L241 F246I105-L109 VanDerWaalsContact O-CB 3.29Å; I105-L109 WeakPolarHBondContact O-CB 3.46Å; I105-L109 PolarHBondContact O-N 3.49Å; Y106-L109 HydrophobicContact CD2-CD2 4.44Å; Y106-L109 PolarHBondContact O-N 2.97Å; L109-A111 PolarHBondContact O-N 3.11Å; L109-L112 PolarHBondContact O-N 2.97Å; L109-V113 WeakPolarHBondContact O-CB 3.43Å; L109-V113 VanDerWaalsContact O-CG2 3.31Å; L109-V113 WeakPolarHBondContact O-CG2 3.48Å; L109-V113 PolarHBondContact O-N 2.82Å; L109-F195 HydrophobicContact CB-CE2 4.29Å; L109-F195 HydrophobicContact CB-CZ 3.86Å; L109-F195 HydrophobicContact CD1-CE1 3.86Å; L109-F195 HydrophobicContact CD1-CZ 3.9Å; L109-F195 HydrophobicContact CG-CZ 4.38Å; L109-L237 HydrophobicContact CD1-CB 3.8Å; L109-L237 HydrophobicContact CD1-CD1 4.38Å; L109-L237 HydrophobicContact CD1-CD2 4.03Å; L109-L237 HydrophobicContact CD1-CG 4.28Å; L109-L240 HydrophobicContact CD1-CB 4.41Å; L109-L240 HydrophobicContact CD1-CD2 4.36Å; L109-L240 HydrophobicContact CD2-CB 4.19Å; L109-L240 HydrophobicContact CD2-CD2 4.28Å; L109-L240 HydrophobicContact CD2-CG 4.43Å; L109-L241 HydrophobicContact CD2-CD2 3.81Å; L109-L241 HydrophobicContact CD2-CG 4.28Å; L109-L241 HydrophobicContact CG-CD2 3.83Å; L109-L241 HydrophobicContact CG-CG 4.39Å; L109-F246 HydrophobicContact CD2-CD2 4.35Å; L109-F246 HydrophobicContact CD2-CE2 3.59Å; L109-F246 HydrophobicContact CD2-CZ 3.86Å
110Q97.9Very high97Very high44 Ų4428.2 Ų28.221%0.20612%0.122CC..Hα-helixtrans-60.6-41.9173.1-72.6162.994.100111.9Y106 D107 V108 V113 F114 L241Y106-Q110 HydrophobicContact CD1-CG 4.43Å; Y106-Q110 HydrophobicContact CE1-CG 4.14Å; Y106-Q110 WeakPolarHBondContact O-CG 3.41Å; Y106-Q110 PolarHBondContact O-N 2.8Å; Y106-Q110 PolarHBondContact O-NE2 3.17Å; D107-Q110 VanDerWaalsContact CA-NE2 3.35Å; D107-Q110 PolarHBondContact O-N 3.04Å; D107-Q110 PolarHBondContact OD1-NE2 3.21Å; V108-Q110 PolarHBondContact O-N 3.02Å; Q110-V113 PolarHBondContact O-N 2.98Å; Q110-F114 WeakPolarHBondContact O-CB 3.32Å; Q110-F114 PolarHBondContact O-N 3.25Å; Q110-L241 HydrophobicContact CG-CD2 4.32Å
111A98.4Very high97.1Very high0 Ų027.3 Ų27.30%012%0.118CC..Hα-helixtrans-60.6-44178.300000112.9C65 L66 D107 V108 L109 F114 L115 L141C65-A111 HydrophobicContact CB-CB 4.01Å; C65-A111 WeakPolarHBondContact O-CB 3.47Å; L66-A111 HydrophobicContact CD2-CB 3.82Å; L66-A111 HydrophobicContact CG-CB 4.49Å; D107-A111 PolarHBondContact O-N 3.45Å; V108-A111 WeakPolarHBondContact O-CB 3.31Å; V108-A111 PolarHBondContact O-N 2.69Å; V108-A111 VanDerWaalsContact O-N 3.16Å; L109-A111 PolarHBondContact O-N 3.11Å; A111-F114 PolarHBondContact O-N 3.2Å; A111-L115 WeakPolarHBondContact O-CB 3.24Å; A111-L115 PolarHBondContact O-N 2.82Å; A111-L141 HydrophobicContact CB-CB 4.26Å; A111-L141 HydrophobicContact CB-CD2 4.45Å
112L98.4Very high97.1Very high0 Ų027.1 Ų27.10%012%0.117CC..Hα-helixtrans-72.8-40.5179.3-65170000112.1V108 L109 F114 L115 H116 H123 V126 L141 F195 L237V108-L112 HydrophobicContact CG1-CD1 4.05Å; V108-L112 HydrophobicContact CG1-CG 4.4Å; V108-L112 WeakPolarHBondContact O-CG 3.24Å; V108-L112 PolarHBondContact O-N 3.41Å; L109-L112 PolarHBondContact O-N 2.97Å; L112-F114 VanDerWaalsContact C-N 3.29Å; L112-F114 PolarHBondContact O-N 2.92Å; L112-L115 PolarHBondContact O-N 3.49Å; L112-L115 VanDerWaalsContact O-N 3.1Å; L112-H116 WeakPolarHBondContact O-CB 3.41Å; L112-H116 PolarHBondContact O-N 2.88Å; L112-H123 HydrophobicContact CD2-CB 4.08Å; L112-V126 HydrophobicContact CD1-CG1 3.95Å; L112-V126 HydrophobicContact CD1-CG2 3.96Å; L112-V126 HydrophobicContact CD2-CG2 3.68Å; L112-V126 HydrophobicContact CG-CG2 4.48Å; L112-L141 HydrophobicContact CD2-CD2 3.59Å; L112-L141 HydrophobicContact CG-CD2 4.21Å; L112-F195 HydrophobicContact CD1-CB 3.98Å; L112-F195 HydrophobicContact CD1-CD2 3.6Å; L112-F195 HydrophobicContact CD1-CE2 4.4Å; L112-F195 HydrophobicContact CD1-CG 4Å; L112-L237 HydrophobicContact CB-CD1 3.4Å; L112-L237 HydrophobicContact CD1-CD1 3.73Å; L112-L237 HydrophobicContact CG-CD1 4.19Å
113V98.3Very high97.1Very high15 Ų1527 Ų279%0.09112%0.117CC..Hα-helixtrans-58.3-42.4172.6169.80000111.1L109 Q110 E117 L237 L241L109-V113 WeakPolarHBondContact O-CB 3.43Å; L109-V113 VanDerWaalsContact O-CG2 3.31Å; L109-V113 WeakPolarHBondContact O-CG2 3.48Å; L109-V113 PolarHBondContact O-N 2.82Å; Q110-V113 PolarHBondContact O-N 2.98Å; V113-E117 HydrophobicContact CG1-CG 4.23Å; V113-E117 VanDerWaalsContact O-CB 3.31Å; V113-E117 WeakPolarHBondContact O-CB 3.1Å; V113-E117 WeakPolarHBondContact O-CG 3.44Å; V113-E117 PolarHBondContact O-N 2.85Å; V113-L237 HydrophobicContact CG2-CB 3.72Å; V113-L241 HydrophobicContact CG1-CD1 4.29Å; V113-L241 HydrophobicContact CG2-CD1 4.21Å; V113-L241 HydrophobicContact CG2-CG 4.48Å
114F98.1Very high97.1Very high35 Ų3527.1 Ų27.115%0.15412%0.117CC..Hα-helixtrans-59.2-47.4172.1168.5-90.8000112.3L61 H63 L66 Q110 A111 L112 R118 G119L61-F114 HydrophobicContact CB-CE1 4.41Å; L61-F114 HydrophobicContact CD2-CE1 4.38Å; H63-F114 HydrophobicContact CB-CD1 3.76Å; H63-F114 HydrophobicContact CB-CD2 4.14Å; H63-F114 HydrophobicContact CB-CE1 3.78Å; H63-F114 HydrophobicContact CB-CE2 4.15Å; H63-F114 HydrophobicContact CB-CG 3.96Å; H63-F114 HydrophobicContact CB-CZ 3.97Å; H63-F114 AromaticContact CD2-CD2 3.71Å; H63-F114 AromaticContact CD2-CG 3.72Å; H63-F114 AromaticContact CG-CG 3.82Å; L66-F114 HydrophobicContact CD1-CD1 3.91Å; L66-F114 HydrophobicContact CD1-CE1 3.77Å; Q110-F114 WeakPolarHBondContact O-CB 3.32Å; Q110-F114 PolarHBondContact O-N 3.25Å; A111-F114 PolarHBondContact O-N 3.2Å; L112-F114 VanDerWaalsContact C-N 3.29Å; L112-F114 PolarHBondContact O-N 2.92Å; F114-R118 HydrophobicContact CD2-CB 4.42Å; F114-R118 HydrophobicContact CD2-CG 4.48Å; F114-R118 HydrophobicContact CE2-CB 4.49Å; F114-R118 WeakPolarHBondContact O-CB 3.42Å; F114-R118 PolarHBondContact O-N 2.88Å; F114-G119 PolarHBondContact O-N 2.87Å
115L97.7Very high97Very high1 Ų127.5 Ų27.51%0.00512%0.119CC..Hα-helixtrans-64.1-40.6-178.6-169.369.8000112.3L61 A111 L112 G119 K120 S121 H123L61-L115 HydrophobicContact CD1-CD1 3.67Å; L61-L115 HydrophobicContact CD2-CD1 4.35Å; A111-L115 WeakPolarHBondContact O-CB 3.24Å; A111-L115 PolarHBondContact O-N 2.82Å; L112-L115 PolarHBondContact O-N 3.49Å; L112-L115 VanDerWaalsContact O-N 3.1Å; L115-G119 CarbonylContact O-C 3.5Å; L115-G119 VanDerWaalsContact O-C 3.25Å; L115-G119 WeakPolarHBondContact O-CA 3.41Å; L115-G119 PolarHBondContact O-N 2.98Å; L115-G119 VanDerWaalsContact O-N 3.16Å; L115-K120 PolarHBondContact O-N 3.11Å; L115-S121 WeakPolarHBondContact CG-O 3.18Å; L115-S121 PolarHBondContact O-N 3.46Å; L115-H123 HydrophobicContact CD2-CB 3.82Å
116H97.5Very high97Very high12 Ų1227.5 Ų27.56%0.05612%0.119CC..Hα-helixtrans-74.3-54179.2-63.1169.5000112.1L112 K120 S121 F150 H188 D191L112-H116 WeakPolarHBondContact O-CB 3.41Å; L112-H116 PolarHBondContact O-N 2.88Å; H116-K120 WeakPolarHBondContact O-CD 3.09Å; H116-K120 PolarHBondContact O-N 3.22Å; H116-S121 PolarHBondContact CD2-O 3.01Å; H116-F150 HydrophobicContact CB-CZ 4.16Å; H116-H188 HydrophobicContact CB-CB 4.46Å; H116-D191 IonicContact CD2-OD2 3.99Å; H116-D191 IonicContact CE1-OD2 3.86Å; H116-D191 WeakPolarHBondContact NE2-CB 3.34Å; H116-D191 IonicContact NE2-OD2 3.15Å; H116-D191 PolarHBondContact NE2-OD2 3.45Å
117E96.1Very high96.9Very high92 Ų9225.8 Ų25.843%0.4311%0.113SC..Hα-helixtrans-77.2-43.5-170.1-65.3-172.1170.500112.2V113 K120 S238V113-E117 HydrophobicContact CG1-CG 4.23Å; V113-E117 VanDerWaalsContact O-CB 3.31Å; V113-E117 WeakPolarHBondContact O-CB 3.1Å; V113-E117 WeakPolarHBondContact O-CG 3.44Å; V113-E117 PolarHBondContact O-N 2.85Å; E117-K120 WeakPolarHBondContact O-CE 3.38Å; E117-K120 PolarHBondContact O-NZ 3.19Å; E117-S238 WeakPolarHBondContact OE1-CB 3.49Å; E117-S238 PolarHBondContact OE1-OG 3.39Å
118R95.4Very high96.8Very high204 Ų20427.6 Ų27.677%0.7712%0.123SC*.THydrogen-bonded Turntrans-98.3-39.8-178.8-53.1-171.5-173.2-173.91.5112.5F114F114-R118 HydrophobicContact CD2-CB 4.42Å; F114-R118 HydrophobicContact CD2-CG 4.48Å; F114-R118 HydrophobicContact CE2-CB 4.49Å; F114-R118 WeakPolarHBondContact O-CB 3.42Å; F114-R118 PolarHBondContact O-N 2.88Å
119G93.9Very high96.6Very high6 Ų628.2 Ų28.26%0.06213%0.127CC..THydrogen-bonded Turntrans-73.6-28.8-179.200000114.4F114 L115 S121 K149F114-G119 PolarHBondContact O-N 2.87Å; L115-G119 CarbonylContact O-C 3.5Å; L115-G119 VanDerWaalsContact O-C 3.25Å; L115-G119 WeakPolarHBondContact O-CA 3.41Å; L115-G119 PolarHBondContact O-N 2.98Å; L115-G119 VanDerWaalsContact O-N 3.16Å; G119-S121 PolarHBondContact O-N 2.88Å; G119-S121 PolarHBondContact O-OG 3.27Å; G119-K149 PolarHBondContact O-NZ 3.5Å
120K95.6Very high96.5Very high116 Ų11628.3 Ų28.350%0.50413%0.128SC..  trans51.441.9-168.9-56.6-52.2-173.8-1550112.2L115 H116 E117 K149 F150L115-K120 PolarHBondContact O-N 3.11Å; H116-K120 WeakPolarHBondContact O-CD 3.09Å; H116-K120 PolarHBondContact O-N 3.22Å; E117-K120 WeakPolarHBondContact O-CE 3.38Å; E117-K120 PolarHBondContact O-NZ 3.19Å; K120-K149 WeakPolarHBondContact O-CA 3.42Å; K120-F150 HydrophobicContact CB-CD2 4.25Å; K120-F150 HydrophobicContact CB-CE2 4.48Å; K120-F150 HydrophobicContact CD-CE2 4.22Å; K120-F150 PolarHBondContact O-N 3.44Å
121S96.4Very high96.5Very high4 Ų426.2 Ų26.23%0.02812%0.118CC..EExtended strand (participates in β ladder)trans-134.8146.9-172.1-79.80000111L115 H116 G119 C148 F150L115-S121 WeakPolarHBondContact CG-O 3.18Å; L115-S121 PolarHBondContact O-N 3.46Å; H116-S121 PolarHBondContact CD2-O 3.01Å; G119-S121 PolarHBondContact O-N 2.88Å; G119-S121 PolarHBondContact O-OG 3.27Å; S121-C148 CarbonylContact C-O 3.47Å; S121-C148 WeakPolarHBondContact CA-O 3.23Å; S121-C148 WeakPolarHBondContact CB-O 3.41Å; S121-C148 PolarHBondContact OG-O 2.79Å; S121-F150 WeakPolarHBondContact O-CE1 3.45Å
122S95.9Very high96.4Very high0 Ų026.4 Ų26.40%012%0.119CC..EExtended strand (participates in β ladder)trans-96.7151.9168.4-58.10000109.9N124 V147 C148 F150 A187 R190 D191S122-N124 WeakPolarHBondContact CB-OD1 3.2Å; S122-V147 VanDerWaalsContact O-CA 3.32Å; S122-V147 WeakPolarHBondContact O-CA 3.22Å; S122-C148 PolarHBondContact N-O 3.11Å; S122-C148 PolarHBondContact O-N 3.07Å; S122-F150 WeakPolarHBondContact OG-CD1 3.36Å; S122-A187 PolarHBondContact OG-O 2.9Å; S122-R190 PolarHBondContact OG-NH2 2.61Å; S122-D191 WeakPolarHBondContact CA-OD2 3.35Å
123H96.8Very high96.4Very high0 Ų026.8 Ų26.80%012%0.121CC..  trans-84.6-36.9170.8-174.5-110.2000111.9L112 L115 N125 V126 G142 T146 D191L112-H123 HydrophobicContact CD2-CB 4.08Å; L115-H123 HydrophobicContact CD2-CB 3.82Å; H123-N125 PolarHBondContact CE1-O 3.41Å; H123-N125 PolarHBondContact ND1-O 3.2Å; H123-N125 PolarHBondContact O-N 2.99Å; H123-N125 VanDerWaalsContact O-N 3.08Å; H123-V126 HydrophobicContact CB-CG2 3.95Å; H123-V126 PolarHBondContact ND1-N 3.39Å; H123-G142 PolarHBondContact NE2-O 2.84Å; H123-G142 VanDerWaalsContact NE2-O 3.12Å; H123-T146 CarbonylContact O-C 3.52Å; H123-T146 WeakPolarHBondContact O-CB 3.16Å; H123-T146 PolarHBondContact O-OG1 3.31Å; H123-D191 PolarHBondContact N-OD1 3.3Å; H123-D191 PolarHBondContact N-OD2 3.38Å
124N95.6Very high96.3Very high1 Ų126.7 Ų26.71%0.00512%0.121CC..SBendtrans64.5-2.1178.1-48.5-60.8000116.1S122 T146 C148 L158 I161 R165 R190 D191S122-N124 WeakPolarHBondContact CB-OD1 3.2Å; N124-T146 PolarHBondContact ND2-O 2.89Å; N124-C148 PolarHBondContact ND2-SG 3.1Å; N124-L158 HydrophobicContact CB-CD2 4.44Å; N124-I161 HydrophobicContact CB-CD1 3.85Å; N124-R165 PolarHBondContact O-NE 3.16Å; N124-R165 PolarHBondContact O-NH2 3.33Å; N124-R190 PolarHBondContact OD1-NE 2.63Å; N124-D191 PolarHBondContact N-OD1 2.74Å
125N94.8Very high95.9Very high8 Ų831.7 Ų31.74%0.04315%0.145CC..  trans-14649.2178.9-170.431.2000113.2H123 C127 S130 T146 A164 R165 E166H123-N125 PolarHBondContact CE1-O 3.41Å; H123-N125 PolarHBondContact ND1-O 3.2Å; H123-N125 PolarHBondContact O-N 2.99Å; H123-N125 VanDerWaalsContact O-N 3.08Å; N125-C127 PolarHBondContact O-N 3.12Å; N125-C127 VanDerWaalsContact O-N 3.16Å; N125-S130 WeakPolarHBondContact O-CB 3.39Å; N125-S130 PolarHBondContact O-OG 2.81Å; N125-T146 HydrophobicContact CB-CG2 3.95Å; N125-T146 WeakPolarHBondContact CB-OG1 3.47Å; N125-A164 PolarHBondContact ND2-O 3.16Å; N125-R165 HydrophobicContact CB-CG 4.25Å; N125-R165 WeakPolarHBondContact OD1-CA 3.49Å; N125-E166 PolarHBondContact OD1-N 3.34Å
126V97.3Very high95.5Very high0 Ų035.3 Ų35.30%016%0.164CC..  trans-75.5104.7178.1-173.20000109.6L112 H123 D191 S194 F195 M198L112-V126 HydrophobicContact CD1-CG1 3.95Å; L112-V126 HydrophobicContact CD1-CG2 3.96Å; L112-V126 HydrophobicContact CD2-CG2 3.68Å; L112-V126 HydrophobicContact CG-CG2 4.48Å; H123-V126 HydrophobicContact CB-CG2 3.95Å; H123-V126 PolarHBondContact ND1-N 3.39Å; V126-D191 HydrophobicContact CG2-CB 4.2Å; V126-S194 CarbonylContact O-C 3.57Å; V126-S194 WeakPolarHBondContact O-CB 3.12Å; V126-F195 HydrophobicContact CG1-CB 4.06Å; V126-F195 HydrophobicContact CG1-CD2 4.23Å; V126-M198 HydrophobicContact CG1-CE 4.45Å; V126-M198 HydrophobicContact CG1-SD 4.08Å
127C95.8Very high95.3Very high2 Ų235.1 Ų35.11%0.01417%0.165CC..SBendtrans-152170.2-177.763.40000111.3N125 S129 S130 E166 C169N125-C127 PolarHBondContact O-N 3.12Å; N125-C127 VanDerWaalsContact O-N 3.16Å; C127-S129 PolarHBondContact O-N 3.1Å; C127-S129 PolarHBondContact SG-OG 3.26Å; C127-S130 PolarHBondContact N-OG 3.33Å; C127-S130 VanDerWaalsContact N-OG 3.11Å; C127-S130 WeakPolarHBondContact O-CB 3.48Å; C127-S130 PolarHBondContact O-N 3.33Å; C127-S130 PolarHBondContact O-OG 2.92Å; C127-E166 HydrophobicContact CB-CB 3.67Å; C127-E166 HydrophobicContact CB-CG 3.93Å; C127-C169 HydrophobicContact CB-CB 4.43Å
128L95.4Very high95.2Very high40 Ų4031.7 Ų31.721%0.20915%0.149CC..G310 helixtrans-58-45.7-177-62.9174.8000112.8L89 E90 L93 S130 V131 M198 L202L89-L128 HydrophobicContact CD2-CD2 3.92Å; E90-L128 HydrophobicContact CG-CB 3.86Å; L93-L128 HydrophobicContact CD1-CD1 4.29Å; L128-S130 PolarHBondContact O-N 3.16Å; L128-S130 VanDerWaalsContact O-N 3.14Å; L128-V131 PolarHBondContact O-N 3.13Å; L128-M198 HydrophobicContact CD2-CG 3.79Å; L128-M198 HydrophobicContact CG-CG 4.26Å; L128-L202 HydrophobicContact CD2-CD1 4.06Å; L128-L202 HydrophobicContact CD2-CD2 3.92Å; L128-L202 HydrophobicContact CD2-CG 4.04Å
129S94.6Very high95.4Very high12 Ų1222 Ų228%0.08411%0.112CC..G310 helixtrans-64.4-14.2176.168.60000115E90 C127E90-S129 WeakPolarHBondContact OE1-CA 3.12Å; E90-S129 VanDerWaalsContact OE1-CB 3.31Å; E90-S129 WeakPolarHBondContact OE1-CB 3.21Å; E90-S129 PolarHBondContact OE1-N 2.87Å; C127-S129 PolarHBondContact O-N 3.1Å; C127-S129 PolarHBondContact SG-OG 3.26Å
130S95.9Very high95.6Very high3 Ų322.5 Ų22.52%0.02111%0.113CC..G310 helixtrans-85.4-6.2172.4780000113.7N125 C127 L128 F132 G142N125-S130 WeakPolarHBondContact O-CB 3.39Å; N125-S130 PolarHBondContact O-OG 2.81Å; C127-S130 PolarHBondContact N-OG 3.33Å; C127-S130 VanDerWaalsContact N-OG 3.11Å; C127-S130 WeakPolarHBondContact O-CB 3.48Å; C127-S130 PolarHBondContact O-N 3.33Å; C127-S130 PolarHBondContact O-OG 2.92Å; L128-S130 PolarHBondContact O-N 3.16Å; L128-S130 VanDerWaalsContact O-N 3.14Å; S130-F132 WeakPolarHBondContact O-CE2 3.5Å; S130-G142 PolarHBondContact O-N 3.4Å
131V97.9Very high95.7Very high0 Ų017 Ų170%09%0.089CC..EExtended strand (participates in β ladder)trans-111.6136.3-175.8-176.40000111.2L89 V108 L128 W139 L141 M198L89-V131 HydrophobicContact CB-CB 4.2Å; L89-V131 HydrophobicContact CB-CG1 4.25Å; L89-V131 VanDerWaalsContact CB-O 3.23Å; L89-V131 WeakPolarHBondContact CB-O 3.29Å; L89-V131 HydrophobicContact CD2-CB 3.92Å; L89-V131 HydrophobicContact CD2-CG1 3.86Å; L89-V131 PolarHBondContact N-O 2.75Å; V108-V131 HydrophobicContact CG2-CG1 3.92Å; V108-V131 HydrophobicContact CG2-CG2 3.93Å; L128-V131 PolarHBondContact O-N 3.13Å; V131-W139 HydrophobicContact CG1-CB 3.92Å; V131-W139 HydrophobicContact CG1-CD2 3.91Å; V131-W139 HydrophobicContact CG1-CE3 3.71Å; V131-W139 HydrophobicContact CG1-CG 4.04Å; V131-L141 HydrophobicContact CG2-CD1 4.4Å; V131-M198 HydrophobicContact CG2-SD 4Å
132F97.8Very high95.7Very high4 Ų416.9 Ų16.92%0.0189%0.088CC..EExtended strand (participates in β ladder)trans-127.5156.5-179.9-52.7-93000110.1L21 M27 F41 L67 V86 Q87 P88 S130 W139 K140L21-F132 HydrophobicContact CD1-CE1 4.23Å; L21-F132 HydrophobicContact CD1-CZ 3.75Å; L21-F132 HydrophobicContact CD2-CE1 4.31Å; L21-F132 HydrophobicContact CD2-CZ 4.4Å; M27-F132 HydrophobicContact CE-CD1 4.06Å; M27-F132 HydrophobicContact CE-CE1 4.38Å; M27-F132 HydrophobicContact SD-CD1 4.05Å; M27-F132 HydrophobicContact SD-CE1 3.82Å; F41-F132 AromaticContact CE1-CE1 3.7Å; F41-F132 HydrophobicContact CE1-CE1 3.7Å; F41-F132 AromaticContact CE1-CZ 3.88Å; F41-F132 HydrophobicContact CE1-CZ 3.88Å; F41-F132 HydrophobicContact CZ-CD1 4.23Å; F41-F132 AromaticContact CZ-CE1 3.83Å; F41-F132 HydrophobicContact CZ-CE1 3.83Å; F41-F132 HydrophobicContact CZ-CZ 4.09Å; L67-F132 HydrophobicContact CD2-CD2 4.32Å; V86-F132 HydrophobicContact CB-CB 3.79Å; V86-F132 HydrophobicContact CG1-CB 4.42Å; V86-F132 HydrophobicContact CG2-CB 3.62Å; V86-F132 HydrophobicContact CG2-CD1 4.12Å; V86-F132 HydrophobicContact CG2-CG 4.02Å; Q87-F132 CarbonylContact O-C 3.56Å; Q87-F132 VanDerWaalsContact O-CA 3.22Å; Q87-F132 WeakPolarHBondContact O-CA 3.29Å; Q87-F132 WeakPolarHBondContact O-CB 3.5Å; P88-F132 HydrophobicContact CB-CD1 4.5Å; S130-F132 WeakPolarHBondContact O-CE2 3.5Å; F132-W139 CarbonylContact O-C 3.55Å; F132-W139 WeakPolarHBondContact O-CA 3.29Å; F132-K140 HydrophobicContact CB-CB 4.49Å; F132-K140 PolarHBondContact N-O 3.08Å; F132-K140 PolarHBondContact O-N 3.43Å
133V97.6Very high95.5Very high8 Ų817.5 Ų17.55%0.04810%0.095CC..EExtended strand (participates in β ladder)trans-114.8126.2-179.7-171.10000109.1V86 Q87 L89 L92V86-V133 CarbonylContact C-O 3.54Å; V86-V133 WeakPolarHBondContact CA-O 3.46Å; V86-V133 WeakPolarHBondContact CB-O 3.43Å; Q87-V133 PolarHBondContact N-O 3.31Å; Q87-V133 PolarHBondContact O-N 3.39Å; L89-V133 HydrophobicContact CB-CG2 4.47Å; L89-V133 HydrophobicContact CD1-CG2 4Å; L92-V133 HydrophobicContact CD1-CB 3.73Å; L92-V133 HydrophobicContact CD1-CG1 4.25Å; L92-V133 HydrophobicContact CD1-CG2 3.8Å
134S95.6Very high95.4Very high12 Ų1217.6 Ų17.68%0.08410%0.095CC..EExtended strand (participates in β ladder)trans-81.1167.9174.550.40000112.7D136 G137 H138 K140S134-D136 WeakPolarHBondContact CB-OD1 3.04Å; S134-D136 PolarHBondContact O-N 3.37Å; S134-D136 VanDerWaalsContact O-N 3.1Å; S134-D136 PolarHBondContact OG-OD1 3.23Å; S134-G137 VanDerWaalsContact O-CA 3.3Å; S134-G137 WeakPolarHBondContact O-CA 3.06Å; S134-G137 PolarHBondContact O-N 2.81Å; S134-H138 PolarHBondContact N-O 3.27Å; S134-H138 PolarHBondContact OG-O 3.18Å; S134-H138 VanDerWaalsContact OG-O 3.13Å; S134-K140 VanDerWaalsContact OG-CE 3.27Å; S134-K140 WeakPolarHBondContact OG-CE 2.99Å
135E90.6Very high95.2Very high140 Ų14018.6 Ų18.665%0.65410%0.1SC*.THydrogen-bonded Turntrans-58.6-23.4-178.1-56.1-173.5146.600114.5P37 H85 G137P37-E135 WeakPolarHBondContact CG-OE1 3.4Å; H85-E135 HydrophobicContact CB-CG 4.38Å; H85-E135 IonicContact CE1-OE1 2.87Å; H85-E135 IonicContact CG-OE1 2.91Å; H85-E135 IonicContact ND1-OE1 2.75Å; H85-E135 PolarHBondContact ND1-OE1 2.77Å; E135-G137 VanDerWaalsContact C-N 3.32Å
136D89.1Confident95.2Very high77 Ų7718.2 Ų18.241%0.41210%0.098SC..THydrogen-bonded Turntrans-94.313.8173.566.5-14.4000113.5S134 H138 R290S134-D136 WeakPolarHBondContact CB-OD1 3.04Å; S134-D136 PolarHBondContact O-N 3.37Å; S134-D136 VanDerWaalsContact O-N 3.1Å; S134-D136 PolarHBondContact OG-OD1 3.23Å; D136-H138 VanDerWaalsContact C-N 3.29Å; D136-H138 PolarHBondContact O-N 2.77Å; D136-H138 IonicContact OD1-CD2 3.68Å; D136-H138 IonicContact OD2-CD2 3.15Å; D136-H138 PolarHBondContact OD2-CD2 2.71Å; D136-R290 VanDerWaalsContact O-CZ 3.29Å; D136-R290 PolarHBondContact O-NE 3.13Å; D136-R290 PolarHBondContact O-NH2 2.89Å
137G92.9Very high95.1Very high8 Ų818.2 Ų18.28%0.08210%0.098CC..  trans69.910.4174.400000115.8S134 E135 R290S134-G137 VanDerWaalsContact O-CA 3.3Å; S134-G137 WeakPolarHBondContact O-CA 3.06Å; S134-G137 PolarHBondContact O-N 2.81Å; E135-G137 VanDerWaalsContact C-N 3.32Å; G137-R290 VanDerWaalsContact C-CZ 3.43Å; G137-R290 VanDerWaalsContact O-CZ 3.29Å; G137-R290 PolarHBondContact O-NH1 2.98Å; G137-R290 PolarHBondContact O-NH2 3.19Å
138H95.4Very high95.1Very high20 Ų2018.2 Ų18.29%0.09310%0.098CC..  trans-75.9139.5175.6-76.4-59.4000110.8D107 S134 D136 K294D107-H138 IonicContact OD1-ND1 3.79Å; D107-H138 IonicContact OD2-CE1 2.99Å; D107-H138 IonicContact OD2-CG 3.89Å; D107-H138 IonicContact OD2-ND1 2.63Å; D107-H138 PolarHBondContact OD2-ND1 3.15Å; S134-H138 PolarHBondContact N-O 3.27Å; S134-H138 PolarHBondContact OG-O 3.18Å; S134-H138 VanDerWaalsContact OG-O 3.13Å; D136-H138 VanDerWaalsContact C-N 3.29Å; D136-H138 PolarHBondContact O-N 2.77Å; D136-H138 IonicContact OD1-CD2 3.68Å; D136-H138 IonicContact OD2-CD2 3.15Å; D136-H138 PolarHBondContact OD2-CD2 2.71Å; H138-K294 PolarHBondContact NE2-NZ 3.1Å; H138-K294 VanDerWaalsContact NE2-NZ 3.16Å
139W98.2Very high95.1Very high0 Ų020.3 Ų20.30%011%0.106CC..EExtended strand (participates in β ladder)trans-82.4136178.1-73.219.6000110.6L89 L96 I101 G104 I105 D107 V108 V131 F132 L202L89-W139 HydrophobicContact CD1-CD2 4.27Å; L89-W139 HydrophobicContact CD1-CH2 3.84Å; L89-W139 HydrophobicContact CD1-CZ2 3.33Å; L89-W139 HydrophobicContact CD1-CZ3 4.48Å; L89-W139 HydrophobicContact CD2-CD2 4.25Å; L89-W139 HydrophobicContact CD2-CE3 3.9Å; L89-W139 HydrophobicContact CD2-CH2 3.57Å; L89-W139 HydrophobicContact CD2-CZ2 3.94Å; L89-W139 HydrophobicContact CD2-CZ3 3.55Å; L89-W139 HydrophobicContact CG-CH2 4.35Å; L89-W139 HydrophobicContact CG-CZ2 4.29Å; L96-W139 HydrophobicContact CD1-CZ2 3.99Å; I101-W139 HydrophobicContact CB-CZ2 4.49Å; I101-W139 HydrophobicContact CG1-CZ2 4.43Å; I101-W139 HydrophobicContact CG2-CH2 4.23Å; G104-W139 VanDerWaalsContact C-CD2 3.46Å; I105-W139 HydrophobicContact CG1-CH2 4.37Å; I105-W139 HydrophobicContact CG1-CZ3 4.06Å; D107-W139 HydrophobicContact CB-CB 4.29Å; V108-W139 HydrophobicContact CG2-CB 4.04Å; V108-W139 HydrophobicContact CG2-CE3 3.97Å; V131-W139 HydrophobicContact CG1-CB 3.92Å; V131-W139 HydrophobicContact CG1-CD2 3.91Å; V131-W139 HydrophobicContact CG1-CE3 3.71Å; V131-W139 HydrophobicContact CG1-CG 4.04Å; F132-W139 CarbonylContact O-C 3.55Å; F132-W139 WeakPolarHBondContact O-CA 3.29Å; W139-L202 HydrophobicContact CH2-CD1 3.89Å; W139-L202 HydrophobicContact CZ3-CD1 3.91Å
140K98.3Very high95.1Very high18 Ų1820.4 Ų20.48%0.07810%0.104CC..EExtended strand (participates in β ladder)trans-120.1118.4-175.8-54-54.1-172.6113.90109P64 C65 L67 E84 V86 F132 S134P64-K140 WeakPolarHBondContact O-CD 3.4Å; P64-K140 VanDerWaalsContact O-CE 3.3Å; P64-K140 WeakPolarHBondContact O-CE 3.49Å; P64-K140 PolarHBondContact O-NZ 2.72Å; C65-K140 WeakPolarHBondContact O-CA 3.33Å; L67-K140 HydrophobicContact CB-CB 4.37Å; L67-K140 HydrophobicContact CD1-CB 4.39Å; E84-K140 IonicContact OE1-NZ 1.78Å; E84-K140 PolarHBondContact OE1-NZ 2.83Å; E84-K140 IonicContact OE2-NZ 3.19Å; V86-K140 HydrophobicContact CG1-CG 4.16Å; F132-K140 HydrophobicContact CB-CB 4.49Å; F132-K140 PolarHBondContact N-O 3.08Å; F132-K140 PolarHBondContact O-N 3.43Å; S134-K140 VanDerWaalsContact OG-CE 3.27Å; S134-K140 WeakPolarHBondContact OG-CE 2.99Å
141L98.3Very high95Very high0 Ų024 Ų240%013%0.13CC..EExtended strand (participates in β ladder)trans-74.5124.4169.1-173.768.1000109.3C65 L66 L67 V108 A111 L112 V131 M144C65-L141 PolarHBondContact O-N 3.04Å; L66-L141 HydrophobicContact CD2-CB 4.1Å; L66-L141 HydrophobicContact CD2-CD2 4.22Å; L67-L141 PolarHBondContact N-O 3.1Å; V108-L141 HydrophobicContact CG1-CD1 4.49Å; A111-L141 HydrophobicContact CB-CB 4.26Å; A111-L141 HydrophobicContact CB-CD2 4.45Å; L112-L141 HydrophobicContact CD2-CD2 3.59Å; L112-L141 HydrophobicContact CG-CD2 4.21Å; V131-L141 HydrophobicContact CG2-CD1 4.4Å; L141-M144 WeakPolarHBondContact O-CE 3.31Å
142G95.8Very high94.8Very high1 Ų128.9 Ų28.91%0.0115%0.153CC..  trans-101.5-130.5174.500000111.5H123 S130 M144H123-G142 PolarHBondContact NE2-O 2.84Å; H123-G142 VanDerWaalsContact NE2-O 3.12Å; S130-G142 PolarHBondContact O-N 3.4Å; G142-M144 VanDerWaalsContact C-N 3.26Å; G142-M144 WeakPolarHBondContact O-CE 3.35Å; G142-M144 PolarHBondContact O-N 3.17Å
143G92.5Very high94.6Very high14 Ų1428.7 Ų28.714%0.14415%0.152CC..  trans63.115.3166.300000117.7E145 T146G143-E145 PolarHBondContact O-N 3.36Å; G143-T146 PolarHBondContact O-N 3.01Å; G143-T146 VanDerWaalsContact O-N 3.16Å; G143-T146 PolarHBondContact O-OG1 3.16Å; G143-T146 VanDerWaalsContact O-OG1 3.13Å
144M93.9Very high94.4Very high1 Ų130.4 Ų30.41%0.00516%0.162CC..THydrogen-bonded Turntrans-66-1.9-167.4-51.2-64163.700115.5T54 H57 L58 L66 L141 G142 T146 V147T54-M144 HydrophobicContact CG2-CB 4.1Å; H57-M144 HydrophobicContact CB-CB 3.78Å; H57-M144 HydrophobicContact CB-CG 4.37Å; H57-M144 PolarHBondContact ND1-O 3.08Å; L58-M144 HydrophobicContact CD2-CB 4.41Å; L58-M144 HydrophobicContact CD2-CE 4.21Å; L58-M144 HydrophobicContact CD2-CG 3.43Å; L58-M144 VanDerWaalsContact CD2-CG 3.43Å; L58-M144 HydrophobicContact CG-CB 4.33Å; L58-M144 HydrophobicContact CG-CG 3.82Å; L66-M144 HydrophobicContact CB-CE 4.25Å; L66-M144 HydrophobicContact CD2-CE 3.7Å; L66-M144 HydrophobicContact CG-CE 4.41Å; L141-M144 WeakPolarHBondContact O-CE 3.31Å; G142-M144 VanDerWaalsContact C-N 3.26Å; G142-M144 WeakPolarHBondContact O-CE 3.35Å; G142-M144 PolarHBondContact O-N 3.17Å; M144-T146 VanDerWaalsContact C-N 3.31Å; M144-V147 HydrophobicContact CB-CG2 4.31Å; M144-V147 HydrophobicContact SD-CG2 3.78Å
145E91.4Very high94.3Very high23 Ų2331.8 Ų31.811%0.10717%0.171CC..THydrogen-bonded Turntrans-60.3-38.7168.453.3-90.9-147.500112.1S23 K53 T54 G143S23-E145 WeakPolarHBondContact CB-OE1 3.41Å; S23-E145 PolarHBondContact OG-OE1 3.04Å; K53-E145 PolarHBondContact NZ-O 2.86Å; T54-E145 VanDerWaalsContact OG1-CA 3.23Å; T54-E145 WeakPolarHBondContact OG1-CA 3.34Å; T54-E145 WeakPolarHBondContact OG1-CB 3.17Å; T54-E145 PolarHBondContact OG1-N 2.87Å; T54-E145 PolarHBondContact OG1-OE2 3.03Å; G143-E145 PolarHBondContact O-N 3.36Å
146T94.3Very high94.4Very high0 Ų031.5 Ų31.50%017%0.17CC..SBendtrans-83.9-10.3-17756.70000113.7H123 N124 N125 G143 M144 I161 A164 R165H123-T146 CarbonylContact O-C 3.52Å; H123-T146 WeakPolarHBondContact O-CB 3.16Å; H123-T146 PolarHBondContact O-OG1 3.31Å; N124-T146 PolarHBondContact ND2-O 2.89Å; N125-T146 HydrophobicContact CB-CG2 3.95Å; N125-T146 WeakPolarHBondContact CB-OG1 3.47Å; G143-T146 PolarHBondContact O-N 3.01Å; G143-T146 VanDerWaalsContact O-N 3.16Å; G143-T146 PolarHBondContact O-OG1 3.16Å; G143-T146 VanDerWaalsContact O-OG1 3.13Å; M144-T146 VanDerWaalsContact C-N 3.31Å; T146-I161 HydrophobicContact CG2-CB 4.21Å; T146-I161 HydrophobicContact CG2-CD1 4.01Å; T146-A164 HydrophobicContact CG2-CB 4.05Å; T146-R165 HydrophobicContact CG2-CG 4.25Å
147V95.9Very high94.6Very high0 Ų029.6 Ų29.60%016%0.158CC..  trans-64.4144.6178.7171.40000111.6K53 H57 L61 S122 M144K53-V147 VanDerWaalsContact CE-O 3.3Å; K53-V147 WeakPolarHBondContact CE-O 3.45Å; K53-V147 PolarHBondContact NZ-O 3.26Å; H57-V147 PolarHBondContact CE1-O 3.32Å; L61-V147 HydrophobicContact CD1-CG1 4.36Å; S122-V147 VanDerWaalsContact O-CA 3.32Å; S122-V147 WeakPolarHBondContact O-CA 3.22Å; M144-V147 HydrophobicContact CB-CG2 4.31Å; M144-V147 HydrophobicContact SD-CG2 3.78Å
148C95.1Very high94.6Very high1 Ų129.6 Ų29.61%0.00716%0.156CC..EExtended strand (participates in β ladder)trans-152.7169.7170.865.80000110.1S121 S122 N124 E152 A153 F157S121-C148 CarbonylContact C-O 3.47Å; S121-C148 WeakPolarHBondContact CA-O 3.23Å; S121-C148 WeakPolarHBondContact CB-O 3.41Å; S121-C148 PolarHBondContact OG-O 2.79Å; S122-C148 PolarHBondContact N-O 3.11Å; S122-C148 PolarHBondContact O-N 3.07Å; N124-C148 PolarHBondContact ND2-SG 3.1Å; C148-E152 HydrophobicContact CB-CB 4.04Å; C148-A153 WeakPolarHBondContact SG-CB 3.41Å; C148-F157 HydrophobicContact CB-CD1 4.24Å; C148-F157 HydrophobicContact CB-CE1 3.64Å; C148-F157 HydrophobicContact CB-CE2 4.34Å; C148-F157 HydrophobicContact CB-CZ 3.71Å; C148-F157 VanDerWaalsContact SG-CE1 3.51Å
149K95.5Very high94.4Very high85 Ų8533.9 Ų33.937%0.3718%0.179SC..EExtended strand (participates in β ladder)trans-67.1156.1163.8-64.1-72.8165-173.30110.7G119 K120 S151 E152 A153G119-K149 PolarHBondContact O-NZ 3.5Å; K120-K149 WeakPolarHBondContact O-CA 3.42Å; K149-S151 VanDerWaalsContact C-N 3.26Å; K149-S151 PolarHBondContact O-N 3.33Å; K149-E152 HydrophobicContact CB-CB 4.21Å; K149-E152 VanDerWaalsContact CB-CD 3.48Å; K149-E152 HydrophobicContact CB-CG 3.85Å; K149-E152 HydrophobicContact CG-CG 4.41Å; K149-E152 WeakPolarHBondContact CG-OE1 3.4Å; K149-E152 PolarHBondContact N-OE2 3.37Å; K149-E152 PolarHBondContact O-N 2.87Å; K149-E152 VanDerWaalsContact O-N 3.07Å; K149-A153 PolarHBondContact O-N 2.92Å
150F95.7Very high94.1Very high13 Ų1337.2 Ų37.26%0.05720%0.203CC..G310 helixtrans-53.2-44.9174-68-23.5000112.1H116 K120 S121 S122 E152 A153 I181 A187H116-F150 HydrophobicContact CB-CZ 4.16Å; K120-F150 HydrophobicContact CB-CD2 4.25Å; K120-F150 HydrophobicContact CB-CE2 4.48Å; K120-F150 HydrophobicContact CD-CE2 4.22Å; K120-F150 PolarHBondContact O-N 3.44Å; S121-F150 WeakPolarHBondContact O-CE1 3.45Å; S122-F150 WeakPolarHBondContact OG-CD1 3.36Å; F150-E152 VanDerWaalsContact C-N 3.31Å; F150-E152 PolarHBondContact O-N 2.79Å; F150-A153 WeakPolarHBondContact O-CB 3.48Å; F150-A153 PolarHBondContact O-N 2.61Å; F150-I181 WeakPolarHBondContact O-CD1 3.3Å; F150-A187 HydrophobicContact CB-CB 3.56Å; F150-A187 HydrophobicContact CD1-CB 3.48Å; F150-A187 VanDerWaalsContact CD1-CB 3.48Å; F150-A187 HydrophobicContact CD2-CB 3.88Å; F150-A187 HydrophobicContact CE1-CB 4.03Å; F150-A187 HydrophobicContact CE2-CB 4.39Å; F150-A187 HydrophobicContact CG-CB 3.39Å; F150-A187 HydrophobicContact CZ-CB 4.45Å
151S93.9Very high93.7Very high80 Ų8036.9 Ų36.956%0.55920%0.202SC*.G310 helixtrans-70.7-15.5177.658.70000115.7K149 I181K149-S151 VanDerWaalsContact C-N 3.26Å; K149-S151 PolarHBondContact O-N 3.33Å; S151-I181 WeakPolarHBondContact O-CD1 3.47Å
152E93.7Very high93.3Very high102 Ų10243 Ų4348%0.47723%0.231SC..G310 helixtrans-91.7-8179.1-70.3163.7-174.500112.1C148 K149 F150 T154C148-E152 HydrophobicContact CB-CB 4.04Å; K149-E152 HydrophobicContact CB-CB 4.21Å; K149-E152 VanDerWaalsContact CB-CD 3.48Å; K149-E152 HydrophobicContact CB-CG 3.85Å; K149-E152 HydrophobicContact CG-CG 4.41Å; K149-E152 WeakPolarHBondContact CG-OE1 3.4Å; K149-E152 PolarHBondContact N-OE2 3.37Å; K149-E152 PolarHBondContact O-N 2.87Å; K149-E152 VanDerWaalsContact O-N 3.07Å; F150-E152 VanDerWaalsContact C-N 3.31Å; F150-E152 PolarHBondContact O-N 2.79Å; E152-T154 PolarHBondContact O-N 2.86Å
153A93.4Very high92.9Very high0 Ų047.3 Ų47.30%026%0.26CS..  trans-88.351.1-163.800000113.5C148 K149 F150 R190C148-A153 WeakPolarHBondContact SG-CB 3.41Å; K149-A153 PolarHBondContact O-N 2.92Å; F150-A153 WeakPolarHBondContact O-CB 3.48Å; F150-A153 PolarHBondContact O-N 2.61Å; A153-R190 VanDerWaalsContact CB-NH1 3.3Å; A153-R190 PolarHBondContact O-NH1 2.82Å; A153-R190 VanDerWaalsContact O-NH1 3.14Å
154T93.7Very high92.6Very high44 Ų4447 Ų4727%0.2726%0.257SS..  trans-73.3165.2-177790000112.2E152 E156 F157 L158 I181E152-T154 PolarHBondContact O-N 2.86Å; T154-E156 VanDerWaalsContact C-N 3.26Å; T154-E156 WeakPolarHBondContact CB-OE2 3.38Å; T154-E156 PolarHBondContact O-N 3.42Å; T154-E156 PolarHBondContact OG1-N 3.3Å; T154-E156 PolarHBondContact OG1-OE2 2.98Å; T154-F157 WeakPolarHBondContact O-CB 3.47Å; T154-F157 PolarHBondContact O-N 2.91Å; T154-F157 PolarHBondContact OG1-N 3Å; T154-L158 WeakPolarHBondContact O-CG 3.12Å; T154-L158 PolarHBondContact O-N 3.14Å; T154-I181 HydrophobicContact CG2-CD1 4.34Å
155P92.3Very high92.4Very high41 Ų4148.2 Ų48.227%0.26626%0.261SS..Hα-helixtrans-55.9-39.4175.5-24.535.3000113.2L158 D159 F179P155-L158 PolarHBondContact O-N 3.01Å; P155-D159 PolarHBondContact O-N 3.43Å; P155-F179 HydrophobicContact CG-CD1 4.11Å; P155-F179 VanDerWaalsContact CG-O 3.26Å; P155-F179 WeakPolarHBondContact CG-O 3.3Å
156E92.8Very high92.4Very high134 Ų13450.1 Ų50.163%0.62627%0.27SS*.Hα-helixtrans-67.1-37.7179-51.475.4-165.100111.5T154 S160T154-E156 VanDerWaalsContact C-N 3.26Å; T154-E156 WeakPolarHBondContact CB-OE2 3.38Å; T154-E156 PolarHBondContact O-N 3.42Å; T154-E156 PolarHBondContact OG1-N 3.3Å; T154-E156 PolarHBondContact OG1-OE2 2.98Å; E156-S160 PolarHBondContact O-N 3.27Å; E156-S160 VanDerWaalsContact O-N 3.1Å
157F93.2Very high92.1Very high36 Ų3653.7 Ų53.716%0.15830%0.3CS..Hα-helixtrans-63.7-47.3172173.1-101.4000111.1C148 T154 D159 S160 I161C148-F157 HydrophobicContact CB-CD1 4.24Å; C148-F157 HydrophobicContact CB-CE1 3.64Å; C148-F157 HydrophobicContact CB-CE2 4.34Å; C148-F157 HydrophobicContact CB-CZ 3.71Å; C148-F157 VanDerWaalsContact SG-CE1 3.51Å; T154-F157 WeakPolarHBondContact O-CB 3.47Å; T154-F157 PolarHBondContact O-N 2.91Å; T154-F157 PolarHBondContact OG1-N 3Å; F157-D159 VanDerWaalsContact C-N 3.32Å; F157-D159 PolarHBondContact O-N 2.98Å; F157-S160 WeakPolarHBondContact O-CB 3.34Å; F157-S160 PolarHBondContact O-N 2.62Å; F157-S160 VanDerWaalsContact O-N 3.17Å; F157-S160 PolarHBondContact O-OG 3.16Å; F157-I161 HydrophobicContact CD1-CD1 4.47Å; F157-I161 HydrophobicContact CE1-CD1 3.7Å; F157-I161 HydrophobicContact CE1-CG1 4.24Å; F157-I161 HydrophobicContact CE1-CG2 4.46Å; F157-I161 HydrophobicContact CE2-CG2 3.89Å; F157-I161 HydrophobicContact CZ-CD1 3.98Å; F157-I161 HydrophobicContact CZ-CG1 4.39Å; F157-I161 HydrophobicContact CZ-CG2 3.79Å; F157-I161 WeakPolarHBondContact O-CG1 3.35Å; F157-I161 PolarHBondContact O-N 2.77Å
158L93Very high91.8Very high8 Ų857.5 Ų57.54%0.04233%0.326CS..Hα-helixtrans-63.8-35.5-178.2-66.4168.1000112.7N124 T154 P155 I161 Q162 E174 F179N124-L158 HydrophobicContact CB-CD2 4.44Å; T154-L158 WeakPolarHBondContact O-CG 3.12Å; T154-L158 PolarHBondContact O-N 3.14Å; P155-L158 PolarHBondContact O-N 3.01Å; L158-I161 HydrophobicContact CD2-CD1 4.43Å; L158-I161 WeakPolarHBondContact O-CG1 3.5Å; L158-Q162 PolarHBondContact O-N 2.72Å; L158-Q162 VanDerWaalsContact O-N 3.16Å; L158-E174 HydrophobicContact CD1-CG 4.43Å; L158-F179 HydrophobicContact CD1-CD1 4.45Å; L158-F179 HydrophobicContact CD1-CE1 3.64Å; L158-F179 HydrophobicContact CD1-CZ 4.37Å
159D91.7Very high91.5Very high110 Ų11057.9 Ų57.959%0.58833%0.329SS*.Hα-helixtrans-64.6-46.8171.6-171.669000111.2P155 F157 I161 Q162P155-D159 PolarHBondContact O-N 3.43Å; F157-D159 VanDerWaalsContact C-N 3.32Å; F157-D159 PolarHBondContact O-N 2.98Å; D159-I161 PolarHBondContact O-N 3.39Å; D159-I161 VanDerWaalsContact O-N 3.08Å; D159-Q162 VanDerWaalsContact O-CB 3.25Å; D159-Q162 WeakPolarHBondContact O-CB 3.42Å; D159-Q162 PolarHBondContact O-N 2.97Å
160S91.1Very high91.4Very high70 Ų7055.1 Ų55.149%0.4932%0.319SS..Hα-helixtrans-58.7-27.2179.3810000114E156 F157E156-S160 PolarHBondContact O-N 3.27Å; E156-S160 VanDerWaalsContact O-N 3.1Å; F157-S160 WeakPolarHBondContact O-CB 3.34Å; F157-S160 PolarHBondContact O-N 2.62Å; F157-S160 VanDerWaalsContact O-N 3.17Å; F157-S160 PolarHBondContact O-OG 3.16Å
161I91.4Very high91.3Very high12 Ų1254.5 Ų54.56%0.06232%0.316CS..THydrogen-bonded Turntrans-99.9-1.4176.863.4159.2000114.2N124 T146 F157 L158 D159 S163 A164 R165N124-I161 HydrophobicContact CB-CD1 3.85Å; T146-I161 HydrophobicContact CG2-CB 4.21Å; T146-I161 HydrophobicContact CG2-CD1 4.01Å; F157-I161 HydrophobicContact CD1-CD1 4.47Å; F157-I161 HydrophobicContact CE1-CD1 3.7Å; F157-I161 HydrophobicContact CE1-CG1 4.24Å; F157-I161 HydrophobicContact CE1-CG2 4.46Å; F157-I161 HydrophobicContact CE2-CG2 3.89Å; F157-I161 HydrophobicContact CZ-CD1 3.98Å; F157-I161 HydrophobicContact CZ-CG1 4.39Å; F157-I161 HydrophobicContact CZ-CG2 3.79Å; F157-I161 WeakPolarHBondContact O-CG1 3.35Å; F157-I161 PolarHBondContact O-N 2.77Å; L158-I161 HydrophobicContact CD2-CD1 4.43Å; L158-I161 WeakPolarHBondContact O-CG1 3.5Å; D159-I161 PolarHBondContact O-N 3.39Å; D159-I161 VanDerWaalsContact O-N 3.08Å; I161-S163 PolarHBondContact O-N 3.11Å; I161-S163 VanDerWaalsContact O-N 3.17Å; I161-A164 PolarHBondContact O-N 2.99Å; I161-R165 HydrophobicContact CD1-CG 4.34Å; I161-R165 WeakPolarHBondContact O-CG 3.25Å
162Q89.6Confident91.2Very high129 Ų12952.5 Ų52.560%0.60330%0.301SS*.G310 helixtrans-53.8-40.6-176.8-172.3-172.479.500112.2L158 D159 A164 R165L158-Q162 PolarHBondContact O-N 2.72Å; L158-Q162 VanDerWaalsContact O-N 3.16Å; D159-Q162 VanDerWaalsContact O-CB 3.25Å; D159-Q162 WeakPolarHBondContact O-CB 3.42Å; D159-Q162 PolarHBondContact O-N 2.97Å; Q162-A164 PolarHBondContact O-N 3.38Å; Q162-A164 VanDerWaalsContact O-N 3.08Å; Q162-R165 PolarHBondContact O-N 2.88Å; Q162-R165 VanDerWaalsContact O-N 3.09Å
163S87.3Confident91.1Very high90 Ų9048.5 Ų48.563%0.62928%0.283SS*.G310 helixtrans-61.1-13.3176.659.40000115.9I161I161-S163 PolarHBondContact O-N 3.11Å; I161-S163 VanDerWaalsContact O-N 3.17Å
164A85.9Confident91Very high9 Ų950.1 Ų50.17%0.07429%0.29CS..G310 helixtrans-109.4-117800000113.3N125 T146 I161 Q162N125-A164 PolarHBondContact ND2-O 3.16Å; T146-A164 HydrophobicContact CG2-CB 4.05Å; I161-A164 PolarHBondContact O-N 2.99Å; Q162-A164 PolarHBondContact O-N 3.38Å; Q162-A164 VanDerWaalsContact O-N 3.08Å
165R90.6Very high90.7Very high26 Ų2654.7 Ų54.710%0.09831%0.309CS..SBendtrans-99.3140.8-174.6-67.6171.378.1-166.85.3111.8N124 N125 T146 I161 Q162 A167 E174N124-R165 PolarHBondContact O-NE 3.16Å; N124-R165 PolarHBondContact O-NH2 3.33Å; N125-R165 HydrophobicContact CB-CG 4.25Å; N125-R165 WeakPolarHBondContact OD1-CA 3.49Å; T146-R165 HydrophobicContact CG2-CG 4.25Å; I161-R165 HydrophobicContact CD1-CG 4.34Å; I161-R165 WeakPolarHBondContact O-CG 3.25Å; Q162-R165 PolarHBondContact O-N 2.88Å; Q162-R165 VanDerWaalsContact O-N 3.09Å; R165-A167 PolarHBondContact O-N 3.06Å; R165-E174 IonicContact CZ-OE1 2.8Å; R165-E174 IonicContact CZ-OE2 3.6Å; R165-E174 VanDerWaalsContact CZ-OE2 3.23Å; R165-E174 IonicContact NH1-OE2 3.88Å; R165-E174 PolarHBondContact NH1-OE2 3.43Å; R165-E174 VanDerWaalsContact NH2-CD 3.27Å; R165-E174 IonicContact NH2-OE1 3.67Å; R165-E174 PolarHBondContact NH2-OE1 2.85Å; R165-E174 IonicContact NH2-OE2 2.73Å; R165-E174 PolarHBondContact NH2-OE2 3.49Å
166E89.4Confident90.5Very high62 Ų6257.2 Ų57.229%0.2932%0.323SS..  trans-71.6114.4170.3174.240.5-121.900109.9N125 C127 S168 C169N125-E166 PolarHBondContact OD1-N 3.34Å; C127-E166 HydrophobicContact CB-CB 3.67Å; C127-E166 HydrophobicContact CB-CG 3.93Å; E166-S168 VanDerWaalsContact C-N 3.28Å; E166-S168 WeakPolarHBondContact CG-OG 3.43Å; E166-S168 PolarHBondContact O-N 2.99Å; E166-S168 WeakPolarHBondContact OE1-CB 3.45Å; E166-S168 PolarHBondContact OE1-N 3.46Å; E166-S168 PolarHBondContact OE1-OG 2.97Å; E166-C169 HydrophobicContact CB-CB 4.42Å; E166-C169 HydrophobicContact CG-CB 4.37Å; E166-C169 PolarHBondContact O-N 3.49Å
167A90Very high90.1Very high76 Ų7660.3 Ų60.363%0.62834%0.338SS*.G310 helixtrans-61.8-32.8-171.500000113.3R165 C169 V170R165-A167 PolarHBondContact O-N 3.06Å; A167-C169 PolarHBondContact O-N 3.15Å; A167-V170 PolarHBondContact O-N 2.92Å
168S88.5Confident89.6Confident80 Ų8061.7 Ų61.756%0.55936%0.361SS*.G310 helixtrans-69.5-19176.159.50000113.9E166E166-S168 VanDerWaalsContact C-N 3.28Å; E166-S168 WeakPolarHBondContact CG-OG 3.43Å; E166-S168 PolarHBondContact O-N 2.99Å; E166-S168 WeakPolarHBondContact OE1-CB 3.45Å; E166-S168 PolarHBondContact OE1-N 3.46Å; E166-S168 PolarHBondContact OE1-OG 2.97Å
169C89.6Confident89.3Confident8 Ų862.8 Ų62.85%0.05437%0.366CS..G310 helixtrans-98.21.8178.1-63.30000113.7C127 E166 A167 P171 S194C127-C169 HydrophobicContact CB-CB 4.43Å; E166-C169 HydrophobicContact CB-CB 4.42Å; E166-C169 HydrophobicContact CG-CB 4.37Å; E166-C169 PolarHBondContact O-N 3.49Å; A167-C169 PolarHBondContact O-N 3.15Å; C169-P171 WeakPolarHBondContact O-CD 3.5Å; C169-S194 PolarHBondContact O-OG 3.36Å
170V92.6Very high89.2Confident28 Ų2863.9 Ų63.917%0.1737%0.368CS..SBendtrans-74.7120.6179.7177.40000110.5A167 E174 Q175A167-V170 PolarHBondContact O-N 2.92Å; V170-E174 HydrophobicContact CG1-CB 4.32Å; V170-Q175 PolarHBondContact O-NE2 3.49Å
171P93.2Very high89.2Confident0 Ų063.7 Ų63.70%036%0.36CS..  trans-59.4146.4-178.6-23.233000114.1C169 E173 E174 R190 Y193C169-P171 WeakPolarHBondContact O-CD 3.5Å; P171-E173 VanDerWaalsContact C-N 3.3Å; P171-E173 HydrophobicContact CB-CG 4.49Å; P171-E173 VanDerWaalsContact CB-OE1 3.29Å; P171-E173 WeakPolarHBondContact CB-OE1 3.23Å; P171-E173 WeakPolarHBondContact CB-OE2 3.47Å; P171-E173 PolarHBondContact O-N 2.88Å; P171-E174 WeakPolarHBondContact CD-OE1 3.47Å; P171-E174 PolarHBondContact O-N 2.82Å; P171-R190 HydrophobicContact CG-CB 3.87Å; P171-R190 HydrophobicContact CG-CG 4.08Å; P171-Y193 HydrophobicContact CB-CD1 4.06Å; P171-Y193 HydrophobicContact CB-CG 4.17Å; P171-Y193 HydrophobicContact CG-CD1 4.13Å; P171-Y193 HydrophobicContact CG-CG 4.39Å
172P92.8Very high89.2Confident38 Ų3863.8 Ų63.825%0.24736%0.361CS..G310 helixtrans-66.2-28.2-174.826.9-35.7000113.5E174 Q175 Y193P172-E174 VanDerWaalsContact C-N 3.27Å; P172-E174 PolarHBondContact O-N 3.25Å; P172-Q175 WeakPolarHBondContact O-CB 3.43Å; P172-Q175 PolarHBondContact O-N 3.49Å; P172-Q175 VanDerWaalsContact O-N 3.15Å; P172-Y193 HydrophobicContact CG-CE2 4.18Å
173E92.2Very high89.4Confident18 Ų1860.8 Ų60.88%0.08435%0.353CS..G310 helixtrans-65.6-28.5178.667.2-84.8-161.700113.2P171 Q175 V176 F179 P231 R234P171-E173 VanDerWaalsContact C-N 3.3Å; P171-E173 HydrophobicContact CB-CG 4.49Å; P171-E173 VanDerWaalsContact CB-OE1 3.29Å; P171-E173 WeakPolarHBondContact CB-OE1 3.23Å; P171-E173 WeakPolarHBondContact CB-OE2 3.47Å; P171-E173 PolarHBondContact O-N 2.88Å; E173-Q175 PolarHBondContact O-N 2.98Å; E173-V176 PolarHBondContact O-N 3.01Å; E173-F179 HydrophobicContact CB-CD2 4.37Å; E173-F179 HydrophobicContact CB-CE2 4.32Å; E173-F179 HydrophobicContact CG-CD2 4.26Å; E173-F179 HydrophobicContact CG-CE2 3.75Å; E173-F179 WeakPolarHBondContact O-CD2 3.27Å; E173-P231 HydrophobicContact CB-CG 4.16Å; E173-P231 HydrophobicContact CG-CB 4.26Å; E173-P231 HydrophobicContact CG-CG 3.99Å; E173-R234 VanDerWaalsContact CD-NH1 3.34Å; E173-R234 IonicContact OE1-CZ 3.84Å; E173-R234 IonicContact OE1-NH1 3.23Å; E173-R234 PolarHBondContact OE1-NH1 3.38Å; E173-R234 IonicContact OE1-NH2 2.69Å; E173-R234 IonicContact OE2-CZ 2.68Å; E173-R234 IonicContact OE2-NH1 2.91Å; E173-R234 PolarHBondContact OE2-NH1 2.85Å; E173-R234 IonicContact OE2-NH2 2.64Å; E173-R234 PolarHBondContact OE2-NH2 3.46Å
174E90.9Very high89.5Confident34 Ų3461.8 Ų61.816%0.15935%0.351CS..G310 helixtrans-73.9-15.9176.8-62.1-175.1-14300112.4L158 R165 V170 P171 P172 V176 F179 R190L158-E174 HydrophobicContact CD1-CG 4.43Å; R165-E174 IonicContact CZ-OE1 2.8Å; R165-E174 IonicContact CZ-OE2 3.6Å; R165-E174 VanDerWaalsContact CZ-OE2 3.23Å; R165-E174 IonicContact NH1-OE2 3.88Å; R165-E174 PolarHBondContact NH1-OE2 3.43Å; R165-E174 VanDerWaalsContact NH2-CD 3.27Å; R165-E174 IonicContact NH2-OE1 3.67Å; R165-E174 PolarHBondContact NH2-OE1 2.85Å; R165-E174 IonicContact NH2-OE2 2.73Å; R165-E174 PolarHBondContact NH2-OE2 3.49Å; V170-E174 HydrophobicContact CG1-CB 4.32Å; P171-E174 WeakPolarHBondContact CD-OE1 3.47Å; P171-E174 PolarHBondContact O-N 2.82Å; P172-E174 VanDerWaalsContact C-N 3.27Å; P172-E174 PolarHBondContact O-N 3.25Å; E174-V176 VanDerWaalsContact C-N 3.32Å; E174-F179 HydrophobicContact CG-CE1 4.28Å; E174-F179 HydrophobicContact CG-CE2 4.31Å; E174-F179 HydrophobicContact CG-CZ 4.1Å; E174-R190 WeakPolarHBondContact OE1-CD 3.29Å; E174-R190 WeakPolarHBondContact OE1-CG 3.31Å
175Q87.1Confident89.7Confident140 Ų14066.5 Ų66.565%0.65438%0.375SS*.G310 helixtrans-88.3-0.7179.5-51.5-179.322.100112.4V170 P172 E173V170-Q175 PolarHBondContact O-NE2 3.49Å; P172-Q175 WeakPolarHBondContact O-CB 3.43Å; P172-Q175 PolarHBondContact O-N 3.49Å; P172-Q175 VanDerWaalsContact O-N 3.15Å; E173-Q175 PolarHBondContact O-N 2.98Å
176V87.9Confident89.8Confident94 Ų9467.1 Ų67.157%0.5738%0.379SS*.SBendtrans-92.6130.6-178.8-175.90000110.5E173 E174 G178 F179E173-V176 PolarHBondContact O-N 3.01Å; E174-V176 VanDerWaalsContact C-N 3.32Å; V176-G178 PolarHBondContact O-N 3.38Å; V176-F179 PolarHBondContact O-N 3.26Å; V176-F179 VanDerWaalsContact O-N 3.16Å
177E85Confident90Very high199 Ų19964.2 Ų64.293%0.9337%0.366SS*.THydrogen-bonded Turntrans-54.8128.4175.3-69.1-171.8170.300111.5
178G82.6Confident90.3Very high64 Ų6461.5 Ų61.566%0.6634%0.34SS*.THydrogen-bonded Turntrans82.911.5179.600000115.6V176 Q180V176-G178 PolarHBondContact O-N 3.38Å; G178-Q180 PolarHBondContact O-N 3.18Å; G178-Q180 PolarHBondContact O-NE2 3.13Å
179F86.9Confident90.7Very high31 Ų3157.7 Ų57.714%0.13631%0.313CS..  trans-40.8137.9170.1173.9-100.1000112.3P155 L158 E173 E174 V176 L182P155-F179 HydrophobicContact CG-CD1 4.11Å; P155-F179 VanDerWaalsContact CG-O 3.26Å; P155-F179 WeakPolarHBondContact CG-O 3.3Å; L158-F179 HydrophobicContact CD1-CD1 4.45Å; L158-F179 HydrophobicContact CD1-CE1 3.64Å; L158-F179 HydrophobicContact CD1-CZ 4.37Å; E173-F179 HydrophobicContact CB-CD2 4.37Å; E173-F179 HydrophobicContact CB-CE2 4.32Å; E173-F179 HydrophobicContact CG-CD2 4.26Å; E173-F179 HydrophobicContact CG-CE2 3.75Å; E173-F179 WeakPolarHBondContact O-CD2 3.27Å; E174-F179 HydrophobicContact CG-CE1 4.28Å; E174-F179 HydrophobicContact CG-CE2 4.31Å; E174-F179 HydrophobicContact CG-CZ 4.1Å; V176-F179 PolarHBondContact O-N 3.26Å; V176-F179 VanDerWaalsContact O-N 3.16Å; F179-L182 HydrophobicContact CE2-CD2 4.28Å; F179-L182 HydrophobicContact CE2-CG 4.39Å; F179-L182 HydrophobicContact CZ-CG 4.32Å
180Q88.5Confident90.9Very high134 Ų13457.3 Ų57.363%0.62631%0.311SS*.  trans-122.7159.1-179.5-64-58.1-6200110.1G178 L182G178-Q180 PolarHBondContact O-N 3.18Å; G178-Q180 PolarHBondContact O-NE2 3.13Å; Q180-L182 PolarHBondContact O-N 3.1Å
181I91.4Very high91.1Very high65 Ų6556 Ų5633%0.33330%0.303SS..PPolyproline II helixtrans-52.9129.5173.5-166.1168.1000110.9F150 S151 T154F150-I181 WeakPolarHBondContact O-CD1 3.3Å; S151-I181 WeakPolarHBondContact O-CD1 3.47Å; T154-I181 HydrophobicContact CG2-CD1 4.34Å
182L92.1Very high91.3Very high15 Ų1556 Ų568%0.07930%0.303CS..PPolyproline II helixtrans-67.3146.5178.9-66.8176.8000110.4F179 Q180 A189 R190 P231F179-L182 HydrophobicContact CE2-CD2 4.28Å; F179-L182 HydrophobicContact CE2-CG 4.39Å; F179-L182 HydrophobicContact CZ-CG 4.32Å; Q180-L182 PolarHBondContact O-N 3.1Å; L182-A189 HydrophobicContact CD1-CB 4.11Å; L182-R190 HydrophobicContact CD1-CG 4.08Å; L182-P231 HydrophobicContact CD1-CB 4.16Å; L182-P231 HydrophobicContact CD2-CB 4.04Å; L182-P231 HydrophobicContact CD2-CG 3.87Å
183P92.4Very high91.6Very high66 Ų6656.5 Ų56.543%0.42930%0.3SS..PPolyproline II helixtrans-54.7143.7172.4-25.334.6000112.1N185 H186 A187P183-N185 WeakPolarHBondContact CB-OD1 3.3Å; P183-N185 PolarHBondContact O-N 3.07Å; P183-H186 CarbonylContact O-C 3.6Å; P183-H186 WeakPolarHBondContact O-CA 3.45Å; P183-H186 PolarHBondContact O-N 3.21Å; P183-A187 PolarHBondContact O-N 2.92Å
184D89Confident91.8Very high110 Ų11055.7 Ų55.759%0.58830%0.296SS*.THydrogen-bonded Turntrans-49.3-32.8-178.5-9733000114.3H186D184-H186 VanDerWaalsContact C-N 3.3Å; D184-H186 PolarHBondContact O-N 2.58Å
185N90.6Very high92.1Very high109 Ų10954 Ų5458%0.58329%0.288SS*.THydrogen-bonded Turntrans-82.9-1.3179.374.7-64.2000114.5P183 H188P183-N185 WeakPolarHBondContact CB-OD1 3.3Å; P183-N185 PolarHBondContact O-N 3.07Å; N185-H188 PolarHBondContact O-CE1 3.11Å; N185-H188 VanDerWaalsContact O-CE1 3.26Å
186H94.1Very high92.6Very high39 Ų3947.4 Ų47.418%0.18126%0.257CS..THydrogen-bonded Turntrans-129.53.9173.2-65.1-81.8000112.9P183 D184 H188 A189 L232P183-H186 CarbonylContact O-C 3.6Å; P183-H186 WeakPolarHBondContact O-CA 3.45Å; P183-H186 PolarHBondContact O-N 3.21Å; D184-H186 VanDerWaalsContact C-N 3.3Å; D184-H186 PolarHBondContact O-N 2.58Å; H186-H188 PolarHBondContact O-N 3.21Å; H186-H188 VanDerWaalsContact O-N 3.08Å; H186-A189 WeakPolarHBondContact O-CB 3.39Å; H186-A189 PolarHBondContact O-N 2.75Å; H186-L232 HydrophobicContact CB-CD2 4.01Å; H186-L232 PolarHBondContact CE1-O 3.31Å; H186-L232 PolarHBondContact ND1-O 3.24Å
187A93Very high93.1Very high1 Ų144.3 Ų44.31%0.00824%0.239CC..THydrogen-bonded Turntrans-65-13.7-178.100000114.2S122 F150 P183 A189S122-A187 PolarHBondContact OG-O 2.9Å; F150-A187 HydrophobicContact CB-CB 3.56Å; F150-A187 HydrophobicContact CD1-CB 3.48Å; F150-A187 VanDerWaalsContact CD1-CB 3.48Å; F150-A187 HydrophobicContact CD2-CB 3.88Å; F150-A187 HydrophobicContact CE1-CB 4.03Å; F150-A187 HydrophobicContact CE2-CB 4.39Å; F150-A187 HydrophobicContact CG-CB 3.39Å; F150-A187 HydrophobicContact CZ-CB 4.45Å; P183-A187 PolarHBondContact O-N 2.92Å; A187-A189 VanDerWaalsContact C-N 3.27Å
188H95.4Very high93.6Very high18 Ų1835 Ų358%0.08320%0.196CC..THydrogen-bonded Turntrans-68.6-20.1167.161.1-96.5000113.8H116 N185 H186 R190 D191 C192 R234H116-H188 HydrophobicContact CB-CB 4.46Å; N185-H188 PolarHBondContact O-CE1 3.11Å; N185-H188 VanDerWaalsContact O-CE1 3.26Å; H186-H188 PolarHBondContact O-N 3.21Å; H186-H188 VanDerWaalsContact O-N 3.08Å; H188-R190 VanDerWaalsContact C-N 3.27Å; H188-R190 PolarHBondContact O-N 2.89Å; H188-R190 VanDerWaalsContact O-N 3.17Å; H188-D191 PolarHBondContact O-N 3.13Å; H188-D191 VanDerWaalsContact O-N 3.13Å; H188-C192 PolarHBondContact O-N 2.9Å; H188-R234 PolarHBondContact NE2-O 3.18Å; H188-R234 VanDerWaalsContact NE2-O 3.07Å
189A96.5Very high94.3Very high0 Ų032.1 Ų32.10%017%0.165CC..Hα-helixtrans-61.3-29.5-167.100000114.3L182 H186 A187 Y193 P231 R234L182-A189 HydrophobicContact CD1-CB 4.11Å; H186-A189 WeakPolarHBondContact O-CB 3.39Å; H186-A189 PolarHBondContact O-N 2.75Å; A187-A189 VanDerWaalsContact C-N 3.27Å; A189-Y193 PolarHBondContact O-N 3.34Å; A189-Y193 VanDerWaalsContact O-N 3.15Å; A189-P231 HydrophobicContact CB-CB 3.8Å; A189-P231 VanDerWaalsContact CB-O 3.29Å; A189-P231 WeakPolarHBondContact CB-O 3.42Å; A189-R234 HydrophobicContact CB-CB 4.11Å; A189-R234 HydrophobicContact CB-CG 4.47Å; A189-R234 VanDerWaalsContact O-CD 3.23Å; A189-R234 WeakPolarHBondContact O-CD 3.47Å; A189-R234 PolarHBondContact O-NH1 3.48Å
190R94.8Very high94.6Very high1 Ų133.9 Ų33.90%0.00417%0.174CC..Hα-helixtrans-65.2-50.7174.8-65.9177.6-65.9-137.8-6111.5S122 N124 A153 P171 E174 L182 H188 C192 Y193 S194S122-R190 PolarHBondContact OG-NH2 2.61Å; N124-R190 PolarHBondContact OD1-NE 2.63Å; A153-R190 VanDerWaalsContact CB-NH1 3.3Å; A153-R190 PolarHBondContact O-NH1 2.82Å; A153-R190 VanDerWaalsContact O-NH1 3.14Å; P171-R190 HydrophobicContact CG-CB 3.87Å; P171-R190 HydrophobicContact CG-CG 4.08Å; E174-R190 WeakPolarHBondContact OE1-CD 3.29Å; E174-R190 WeakPolarHBondContact OE1-CG 3.31Å; L182-R190 HydrophobicContact CD1-CG 4.08Å; H188-R190 VanDerWaalsContact C-N 3.27Å; H188-R190 PolarHBondContact O-N 2.89Å; H188-R190 VanDerWaalsContact O-N 3.17Å; R190-C192 VanDerWaalsContact C-N 3.3Å; R190-C192 PolarHBondContact O-N 2.8Å; R190-Y193 WeakPolarHBondContact O-CB 3.15Å; R190-Y193 PolarHBondContact O-N 3.1Å; R190-Y193 VanDerWaalsContact O-N 3.15Å; R190-S194 PolarHBondContact O-N 2.93Å; R190-S194 PolarHBondContact O-OG 3.47Å; R190-S194 VanDerWaalsContact O-OG 3.13Å
191D97.4Very high94.9Very high0 Ų030.3 Ų30.30%017%0.167CC..Hα-helixtrans-67.2-32.3178-65.5-29.4000111.6H116 S122 H123 N124 V126 H188 Y193 F195H116-D191 IonicContact CD2-OD2 3.99Å; H116-D191 IonicContact CE1-OD2 3.86Å; H116-D191 WeakPolarHBondContact NE2-CB 3.34Å; H116-D191 IonicContact NE2-OD2 3.15Å; H116-D191 PolarHBondContact NE2-OD2 3.45Å; S122-D191 WeakPolarHBondContact CA-OD2 3.35Å; H123-D191 PolarHBondContact N-OD1 3.3Å; H123-D191 PolarHBondContact N-OD2 3.38Å; N124-D191 PolarHBondContact N-OD1 2.74Å; V126-D191 HydrophobicContact CG2-CB 4.2Å; H188-D191 PolarHBondContact O-N 3.13Å; H188-D191 VanDerWaalsContact O-N 3.13Å; D191-Y193 VanDerWaalsContact C-N 3.32Å; D191-Y193 PolarHBondContact O-N 3.04Å; D191-F195 WeakPolarHBondContact O-CB 3.45Å; D191-F195 PolarHBondContact O-N 2.99Å
192C97.2Very high95.1Very high0 Ų027.2 Ų27.20%015%0.151CC..Hα-helixtrans-58.2-44.2170.7-76.40000112H188 R190 G196 L226 R234 P235 L237H188-C192 PolarHBondContact O-N 2.9Å; R190-C192 VanDerWaalsContact C-N 3.3Å; R190-C192 PolarHBondContact O-N 2.8Å; C192-G196 PolarHBondContact O-N 3.36Å; C192-L226 HydrophobicContact CB-CG 4.15Å; C192-L226 WeakPolarHBondContact O-CB 3.31Å; C192-L226 WeakPolarHBondContact O-CG 3.5Å; C192-R234 HydrophobicContact CB-CB 4.41Å; C192-P235 PolarHBondContact SG-O 3.31Å; C192-L237 HydrophobicContact CB-CD2 4.41Å; C192-L237 VanDerWaalsContact SG-CG 3.6Å
193Y97.5Very high95.1Very high48 Ų4827.3 Ų27.319%0.18815%0.152CC..Hα-helixtrans-66.9-52.9177.5-173.8-87.4000111.1P171 P172 A189 R190 D191 F195 G196 T197 L226 L227P171-Y193 HydrophobicContact CB-CD1 4.06Å; P171-Y193 HydrophobicContact CB-CG 4.17Å; P171-Y193 HydrophobicContact CG-CD1 4.13Å; P171-Y193 HydrophobicContact CG-CG 4.39Å; P172-Y193 HydrophobicContact CG-CE2 4.18Å; A189-Y193 PolarHBondContact O-N 3.34Å; A189-Y193 VanDerWaalsContact O-N 3.15Å; R190-Y193 WeakPolarHBondContact O-CB 3.15Å; R190-Y193 PolarHBondContact O-N 3.1Å; R190-Y193 VanDerWaalsContact O-N 3.15Å; D191-Y193 VanDerWaalsContact C-N 3.32Å; D191-Y193 PolarHBondContact O-N 3.04Å; Y193-F195 VanDerWaalsContact C-N 3.33Å; Y193-F195 PolarHBondContact O-N 3.16Å; Y193-G196 CarbonylContact O-C 3.59Å; Y193-G196 WeakPolarHBondContact O-CA 3.33Å; Y193-G196 PolarHBondContact O-N 2.89Å; Y193-T197 PolarHBondContact O-N 3.49Å; Y193-T197 PolarHBondContact O-OG1 3.15Å; Y193-L226 WeakPolarHBondContact CA-O 3.45Å; Y193-L227 HydrophobicContact CD2-CD2 4.02Å; Y193-L227 HydrophobicContact CE2-CB 4.42Å; Y193-L227 HydrophobicContact CE2-CD2 3.85Å; Y193-L227 HydrophobicContact CG-CD2 4.43Å
194S97.3Very high95Very high1 Ų128.3 Ų28.31%0.00716%0.159CC..Hα-helixtrans-57.2-43.6179.2-53.60000112.5V126 C169 R190 T197 M198V126-S194 CarbonylContact O-C 3.57Å; V126-S194 WeakPolarHBondContact O-CB 3.12Å; C169-S194 PolarHBondContact O-OG 3.36Å; R190-S194 PolarHBondContact O-N 2.93Å; R190-S194 PolarHBondContact O-OG 3.47Å; R190-S194 VanDerWaalsContact O-OG 3.13Å; S194-T197 PolarHBondContact O-N 3.48Å; S194-M198 WeakPolarHBondContact O-CB 3.46Å; S194-M198 PolarHBondContact O-N 2.9Å
195F98.1Very high95.1Very high0 Ų026.8 Ų26.80%015%0.15CC..Hα-helixtrans-64.4-40172.7-179.8-96.5000112I105 V108 L109 L112 V126 D191 Y193 T197 M198 V199 L226 L237 L240I105-F195 HydrophobicContact CG2-CE2 4.35Å; I105-F195 HydrophobicContact CG2-CZ 3.77Å; V108-F195 HydrophobicContact CB-CE2 4.26Å; V108-F195 HydrophobicContact CG1-CD2 4.06Å; V108-F195 HydrophobicContact CG1-CE2 3.99Å; L109-F195 HydrophobicContact CB-CE2 4.29Å; L109-F195 HydrophobicContact CB-CZ 3.86Å; L109-F195 HydrophobicContact CD1-CE1 3.86Å; L109-F195 HydrophobicContact CD1-CZ 3.9Å; L109-F195 HydrophobicContact CG-CZ 4.38Å; L112-F195 HydrophobicContact CD1-CB 3.98Å; L112-F195 HydrophobicContact CD1-CD2 3.6Å; L112-F195 HydrophobicContact CD1-CE2 4.4Å; L112-F195 HydrophobicContact CD1-CG 4Å; V126-F195 HydrophobicContact CG1-CB 4.06Å; V126-F195 HydrophobicContact CG1-CD2 4.23Å; D191-F195 WeakPolarHBondContact O-CB 3.45Å; D191-F195 PolarHBondContact O-N 2.99Å; Y193-F195 VanDerWaalsContact C-N 3.33Å; Y193-F195 PolarHBondContact O-N 3.16Å; F195-T197 PolarHBondContact O-N 3.41Å; F195-M198 HydrophobicContact CD2-CE 3.8Å; F195-M198 HydrophobicContact CE2-CE 3.92Å; F195-M198 PolarHBondContact O-N 3.34Å; F195-V199 HydrophobicContact CD1-CG2 4.1Å; F195-V199 HydrophobicContact CD2-CG2 4.45Å; F195-V199 HydrophobicContact CE1-CG2 3.67Å; F195-V199 HydrophobicContact CE2-CG2 4.06Å; F195-V199 HydrophobicContact CG-CG2 4.47Å; F195-V199 HydrophobicContact CZ-CG2 3.65Å; F195-V199 WeakPolarHBondContact O-CG2 3.34Å; F195-V199 PolarHBondContact O-N 2.9Å; F195-L226 HydrophobicContact CD1-CD2 3.78Å; F195-L226 HydrophobicContact CE1-CD2 4.34Å; F195-L237 HydrophobicContact CD1-CD2 3.86Å; F195-L237 HydrophobicContact CE1-CD2 4.42Å; F195-L237 HydrophobicContact CG-CD2 4.42Å; F195-L240 HydrophobicContact CE1-CD2 3.91Å
196G97.4Very high95.1Very high0 Ų021.7 Ų21.70%012%0.123CC..Hα-helixtrans-57-46.8173.600000112.5C192 Y193 V199 E200C192-G196 PolarHBondContact O-N 3.36Å; Y193-G196 CarbonylContact O-C 3.59Å; Y193-G196 WeakPolarHBondContact O-CA 3.33Å; Y193-G196 PolarHBondContact O-N 2.89Å; G196-V199 PolarHBondContact O-N 3.45Å; G196-E200 WeakPolarHBondContact O-CB 3.5Å; G196-E200 PolarHBondContact O-N 2.97Å
197T97Very high94.2Very high30 Ų3022.7 Ų22.718%0.18413%0.134CC..Hα-helixtrans-63.8-43.8176.8-49.80000111.3Y193 S194 F195 V199 E200 A201Y193-T197 PolarHBondContact O-N 3.49Å; Y193-T197 PolarHBondContact O-OG1 3.15Å; S194-T197 PolarHBondContact O-N 3.48Å; F195-T197 PolarHBondContact O-N 3.41Å; T197-V199 VanDerWaalsContact C-N 3.34Å; T197-V199 PolarHBondContact O-N 2.85Å; T197-E200 PolarHBondContact O-N 3.03Å; T197-A201 PolarHBondContact O-N 3.45Å
198M96.8Very high93.5Very high4 Ų430.3 Ų30.32%0.0218%0.175CC..Hα-helixtrans-61.9-40.2177.4-171-166.774.100112V108 V126 L128 V131 S194 F195 L202V108-M198 HydrophobicContact CG1-CE 4.13Å; V126-M198 HydrophobicContact CG1-CE 4.45Å; V126-M198 HydrophobicContact CG1-SD 4.08Å; L128-M198 HydrophobicContact CD2-CG 3.79Å; L128-M198 HydrophobicContact CG-CG 4.26Å; V131-M198 HydrophobicContact CG2-SD 4Å; S194-M198 WeakPolarHBondContact O-CB 3.46Å; S194-M198 PolarHBondContact O-N 2.9Å; F195-M198 HydrophobicContact CD2-CE 3.8Å; F195-M198 HydrophobicContact CE2-CE 3.92Å; F195-M198 PolarHBondContact O-N 3.34Å; M198-L202 WeakPolarHBondContact O-CG 3.47Å; M198-L202 PolarHBondContact O-N 2.9Å
199V96.4Very high92.8Very high2 Ų233.7 Ų33.71%0.01219%0.187CC..Hα-helixtrans-72.3-40.2176.5177.20000111.4I105 F195 G196 T197 A201 L202 V203 L218 L222I105-V199 HydrophobicContact CD1-CG1 4.45Å; I105-V199 HydrophobicContact CG1-CG2 4.45Å; I105-V199 HydrophobicContact CG2-CG2 3.64Å; F195-V199 HydrophobicContact CD1-CG2 4.1Å; F195-V199 HydrophobicContact CD2-CG2 4.45Å; F195-V199 HydrophobicContact CE1-CG2 3.67Å; F195-V199 HydrophobicContact CE2-CG2 4.06Å; F195-V199 HydrophobicContact CG-CG2 4.47Å; F195-V199 HydrophobicContact CZ-CG2 3.65Å; F195-V199 WeakPolarHBondContact O-CG2 3.34Å; F195-V199 PolarHBondContact O-N 2.9Å; G196-V199 PolarHBondContact O-N 3.45Å; T197-V199 VanDerWaalsContact C-N 3.34Å; T197-V199 PolarHBondContact O-N 2.85Å; V199-A201 VanDerWaalsContact C-N 3.25Å; V199-A201 PolarHBondContact O-N 3.3Å; V199-L202 WeakPolarHBondContact O-CA 3.39Å; V199-L202 PolarHBondContact O-N 3.01Å; V199-V203 HydrophobicContact CG1-CG2 4.35Å; V199-V203 WeakPolarHBondContact O-CG2 3.31Å; V199-V203 PolarHBondContact O-N 3.05Å; V199-L218 HydrophobicContact CG1-CD2 3.93Å; V199-L222 HydrophobicContact CB-CD1 4.1Å; V199-L222 HydrophobicContact CG1-CD1 3.79Å
200E94.3Very high92.2Very high69 Ų6934.3 Ų34.332%0.32219%0.191SC..Hα-helixtrans-60.6-34.9175.7-174.7162.8-116.900112.1G196 T197 L202 P204 Q223 L227G196-E200 WeakPolarHBondContact O-CB 3.5Å; G196-E200 PolarHBondContact O-N 2.97Å; T197-E200 PolarHBondContact O-N 3.03Å; E200-L202 VanDerWaalsContact C-N 3.31Å; E200-L202 PolarHBondContact O-N 3.1Å; E200-P204 VanDerWaalsContact O-CD 3.31Å; E200-P204 WeakPolarHBondContact O-CD 3.48Å; E200-Q223 PolarHBondContact OE1-NE2 2.91Å; E200-Q223 PolarHBondContact OE2-NE2 2.92Å; E200-L227 HydrophobicContact CB-CD1 4.44Å; E200-L227 WeakPolarHBondContact OE2-CD1 3.45Å
201A94.3Very high91.8Very high58 Ų5837.1 Ų37.148%0.47921%0.211SC..Hα-helixtrans-68.4-24.6171.600000114.2T197 V199T197-A201 PolarHBondContact O-N 3.45Å; V199-A201 VanDerWaalsContact C-N 3.25Å; V199-A201 PolarHBondContact O-N 3.3Å
202L95Very high91.4Very high1 Ų143 Ų431%0.00524%0.239CC..Hα-helixtrans-92.2-25.4180-69.8168.8000113.6L93 I101 I105 L128 W139 M198 V199 E200 P204 L205L93-L202 HydrophobicContact CD2-CD2 3.65Å; I101-L202 HydrophobicContact CG2-CB 4.37Å; I101-L202 HydrophobicContact CG2-CD2 4.38Å; I105-L202 HydrophobicContact CD1-CB 4.14Å; I105-L202 HydrophobicContact CD1-CD1 3.95Å; I105-L202 HydrophobicContact CG1-CD1 3.77Å; L128-L202 HydrophobicContact CD2-CD1 4.06Å; L128-L202 HydrophobicContact CD2-CD2 3.92Å; L128-L202 HydrophobicContact CD2-CG 4.04Å; W139-L202 HydrophobicContact CH2-CD1 3.89Å; W139-L202 HydrophobicContact CZ3-CD1 3.91Å; M198-L202 WeakPolarHBondContact O-CG 3.47Å; M198-L202 PolarHBondContact O-N 2.9Å; V199-L202 WeakPolarHBondContact O-CA 3.39Å; V199-L202 PolarHBondContact O-N 3.01Å; E200-L202 VanDerWaalsContact C-N 3.31Å; E200-L202 PolarHBondContact O-N 3.1Å; L202-P204 VanDerWaalsContact C-CD 3.44Å; L202-P204 VanDerWaalsContact C-N 3.33Å; L202-L205 HydrophobicContact CD2-CD1 4.02Å; L202-L205 WeakPolarHBondContact O-CB 3.43Å; L202-L205 PolarHBondContact O-N 2.59Å
203V92.3Very high91Very high16 Ų1651 Ų5110%0.09728%0.276CS..G310 helixtrans-51.3-40.3178.6163.20000113.9V199 L205 L206 S215 L218V199-V203 HydrophobicContact CG1-CG2 4.35Å; V199-V203 WeakPolarHBondContact O-CG2 3.31Å; V199-V203 PolarHBondContact O-N 3.05Å; V203-L205 PolarHBondContact O-N 3.44Å; V203-L206 WeakPolarHBondContact O-CB 3.49Å; V203-L206 PolarHBondContact O-N 2.99Å; V203-S215 WeakPolarHBondContact CG1-OG 3.26Å; V203-L218 HydrophobicContact CG2-CD2 3.91Å
204P91Very high90.6Very high88 Ų8851.8 Ų51.857%0.57128%0.283SS*.G310 helixtrans-60.4-25175.8-26.936.4000115E200 L202 L206E200-P204 VanDerWaalsContact O-CD 3.31Å; E200-P204 WeakPolarHBondContact O-CD 3.48Å; L202-P204 VanDerWaalsContact C-CD 3.44Å; L202-P204 VanDerWaalsContact C-N 3.33Å; P204-L206 PolarHBondContact O-N 2.96Å
205L90.9Very high90.3Very high77 Ų7752.3 Ų52.340%0.40329%0.287SS..G310 helixtrans-78.3-2.5177.2-54.4179.7000112.9L93 I101 L202 V203L93-L205 HydrophobicContact CB-CD1 4.33Å; L93-L205 HydrophobicContact CD2-CD1 4.1Å; I101-L205 HydrophobicContact CD1-CB 3.99Å; I101-L205 HydrophobicContact CD1-CD1 4.16Å; L202-L205 HydrophobicContact CD2-CD1 4.02Å; L202-L205 WeakPolarHBondContact O-CB 3.43Å; L202-L205 PolarHBondContact O-N 2.59Å; V203-L205 PolarHBondContact O-N 3.44Å
206L89.4Confident90Very high2 Ų255 Ų551%0.0130%0.301CS..G310 helixtrans-114.7-1.1-173.7-58177.9000113.5P98 I101 V203 P204 D208 Y209 V210 F245P98-L206 HydrophobicContact CB-CD2 3.73Å; P98-L206 WeakPolarHBondContact O-CD2 3.2Å; I101-L206 HydrophobicContact CB-CD2 3.93Å; I101-L206 HydrophobicContact CG2-CD1 4.39Å; I101-L206 HydrophobicContact CG2-CD2 3.84Å; I101-L206 HydrophobicContact CG2-CG 4.32Å; V203-L206 WeakPolarHBondContact O-CB 3.49Å; V203-L206 PolarHBondContact O-N 2.99Å; P204-L206 PolarHBondContact O-N 2.96Å; L206-D208 PolarHBondContact O-N 3.06Å; L206-D208 VanDerWaalsContact O-N 3.13Å; L206-Y209 PolarHBondContact O-N 3.2Å; L206-Y209 VanDerWaalsContact O-N 3.16Å; L206-V210 HydrophobicContact CB-CB 4.5Å; L206-V210 HydrophobicContact CB-CG2 3.99Å; L206-V210 PolarHBondContact O-N 2.98Å; L206-F245 HydrophobicContact CD1-CE2 3.72Å; L206-F245 HydrophobicContact CD1-CZ 3.48Å; L206-F245 VanDerWaalsContact CD1-CZ 3.48Å
207S75.9Confident89.7Confident60 Ų6056.2 Ų56.242%0.4231%0.313SS..THydrogen-bonded Turntrans-56.7-31.1-170.9570000114.9
208D78.6Confident89.6Confident161 Ų16154.8 Ų54.886%0.86130%0.304SS*.THydrogen-bonded Turntrans-95.7-5.5-171.3-65.419.2000112L206L206-D208 PolarHBondContact O-N 3.06Å; L206-D208 VanDerWaalsContact O-N 3.13Å
209Y81.3Confident89.4Confident89 Ų8956.6 Ų56.635%0.34932%0.316SS..THydrogen-bonded Turntrans-115.9-48.3180174.6-101.7000112.4P98 E99 L206P98-Y209 VanDerWaalsContact CB-CB 3.45Å; P98-Y209 HydrophobicContact CB-CD1 3.68Å; P98-Y209 HydrophobicContact CB-CD2 4.36Å; P98-Y209 HydrophobicContact CB-CG 3.57Å; P98-Y209 HydrophobicContact CG-CG 4.26Å; E99-Y209 HydrophobicContact CG-CE1 4.16Å; E99-Y209 HydrophobicContact CG-CE2 3.89Å; E99-Y209 WeakPolarHBondContact CG-OH 3.45Å; E99-Y209 WeakPolarHBondContact OE1-CE2 3.44Å; L206-Y209 PolarHBondContact O-N 3.2Å; L206-Y209 VanDerWaalsContact O-N 3.16Å
210V82.9Confident89.3Confident14 Ų1462.6 Ų62.69%0.08534%0.342CS..SBendtrans-83.6129.8178.2-178.80000108.6L206 Q212 L214 F245L206-V210 HydrophobicContact CB-CB 4.5Å; L206-V210 HydrophobicContact CB-CG2 3.99Å; L206-V210 PolarHBondContact O-N 2.98Å; V210-Q212 PolarHBondContact O-N 3.04Å; V210-L214 HydrophobicContact CG1-CB 3.55Å; V210-F245 HydrophobicContact CG1-CD2 4.22Å; V210-F245 HydrophobicContact CG1-CE2 4.43Å; V210-F245 HydrophobicContact CG2-CD2 4.47Å; V210-F245 HydrophobicContact CG2-CE2 4.05Å
211S87.3Confident89.4Confident60 Ų6061.8 Ų61.842%0.4234%0.342SS..  trans-57.6143.9177.774.80000111E213 L214 S215S211-E213 PolarHBondContact O-N 3.35Å; S211-L214 PolarHBondContact O-N 3.17Å; S211-L214 WeakPolarHBondContact OG-CG 3.36Å; S211-L214 PolarHBondContact OG-N 3.11Å; S211-S215 PolarHBondContact O-N 3.32Å
212Q87.7Confident89.4Confident124 Ų12459 Ų5958%0.57932%0.319SS*.Hα-helixtrans-53.6-35.6-178.4-171.765.152.300111.8V210 S215 D216V210-Q212 PolarHBondContact O-N 3.04Å; Q212-S215 PolarHBondContact O-N 2.96Å; Q212-D216 PolarHBondContact NE2-OD1 2.73Å; Q212-D216 WeakPolarHBondContact O-CB 3.44Å; Q212-D216 PolarHBondContact O-N 3.46Å
213E89.6Confident89.4Confident166 Ų16663.5 Ų63.578%0.77634%0.34SS*.Hα-helixtrans-63.6-40.6175.8-176.3173-163.400113.4S211 G217S211-E213 PolarHBondContact O-N 3.35Å; E213-G217 PolarHBondContact O-N 3.34Å
214L89.9Confident89.5Confident65 Ų6566.1 Ų66.134%0.3436%0.363SS..Hα-helixtrans-73-36.8176.3-72.9173.1000112V210 S211 G217 L218 S244V210-L214 HydrophobicContact CG1-CB 3.55Å; S211-L214 PolarHBondContact O-N 3.17Å; S211-L214 WeakPolarHBondContact OG-CG 3.36Å; S211-L214 PolarHBondContact OG-N 3.11Å; L214-G217 PolarHBondContact O-N 2.85Å; L214-L218 PolarHBondContact O-N 3.01Å; L214-S244 WeakPolarHBondContact CD2-OG 3.43Å
215S90.3Very high89.7Confident12 Ų1262.4 Ų62.48%0.08434%0.341CS..Hα-helixtrans-66.7-48.3175.5-175.60000111.7V203 S211 Q212 G217 L218 T219V203-S215 WeakPolarHBondContact CG1-OG 3.26Å; S211-S215 PolarHBondContact O-N 3.32Å; Q212-S215 PolarHBondContact O-N 2.96Å; S215-G217 VanDerWaalsContact C-N 3.3Å; S215-G217 PolarHBondContact O-N 3.36Å; S215-L218 PolarHBondContact O-N 2.82Å; S215-T219 WeakPolarHBondContact O-CB 3.46Å; S215-T219 PolarHBondContact O-N 2.88Å; S215-T219 PolarHBondContact O-OG1 2.78Å
216D90.8Very high90Very high58 Ų5858.9 Ų58.931%0.3132%0.322SS..Hα-helixtrans-55.4-44.1168.9-95.943.3000111.8Q212 T219 K220Q212-D216 PolarHBondContact NE2-OD1 2.73Å; Q212-D216 WeakPolarHBondContact O-CB 3.44Å; Q212-D216 PolarHBondContact O-N 3.46Å; D216-T219 PolarHBondContact O-N 3.27Å; D216-K220 WeakPolarHBondContact O-CB 3.38Å; D216-K220 VanDerWaalsContact O-CD 3.26Å; D216-K220 WeakPolarHBondContact O-CD 3.36Å; D216-K220 WeakPolarHBondContact O-CG 3.34Å; D216-K220 PolarHBondContact O-N 3.47Å; D216-K220 IonicContact OD2-NZ 3.73Å; D216-K220 PolarHBondContact OD2-NZ 2.93Å
217G92.7Very high90.3Very high24 Ų2459.4 Ų59.425%0.24733%0.325CS..Hα-helixtrans-64.7-43.5-179.200000112.6E213 L214 S215 T221E213-G217 PolarHBondContact O-N 3.34Å; L214-G217 PolarHBondContact O-N 2.85Å; S215-G217 VanDerWaalsContact C-N 3.3Å; S215-G217 PolarHBondContact O-N 3.36Å; G217-T221 WeakPolarHBondContact O-CB 3.47Å; G217-T221 PolarHBondContact O-N 3.49Å; G217-T221 PolarHBondContact O-OG1 2.94Å
218L93.4Very high91.2Very high0 Ų059 Ų590%032%0.318CS..Hα-helixtrans-61.9-51.3171.3177.663.7000110.6V199 V203 L214 S215 K220 T221 L222 F245V199-L218 HydrophobicContact CG1-CD2 3.93Å; V203-L218 HydrophobicContact CG2-CD2 3.91Å; L214-L218 PolarHBondContact O-N 3.01Å; S215-L218 PolarHBondContact O-N 2.82Å; L218-K220 VanDerWaalsContact C-N 3.29Å; L218-K220 PolarHBondContact O-N 3.07Å; L218-T221 CarbonylContact O-C 3.55Å; L218-T221 WeakPolarHBondContact O-CA 3.35Å; L218-T221 WeakPolarHBondContact O-CB 3.43Å; L218-T221 PolarHBondContact O-N 3.32Å; L218-L222 HydrophobicContact CD1-CD1 4.43Å; L218-L222 HydrophobicContact CD1-CD2 4.28Å; L218-L222 HydrophobicContact CD1-CG 4.12Å; L218-L222 HydrophobicContact CG-CD1 4.13Å; L218-L222 HydrophobicContact CG-CG 4.22Å; L218-L222 WeakPolarHBondContact O-CG 3.24Å; L218-L222 PolarHBondContact O-N 3.32Å; L218-F245 HydrophobicContact CB-CD2 4.38Å; L218-F245 HydrophobicContact CD2-CD1 4.01Å; L218-F245 HydrophobicContact CD2-CD2 3.64Å; L218-F245 HydrophobicContact CD2-CE1 3.99Å; L218-F245 HydrophobicContact CD2-CE2 3.6Å; L218-F245 HydrophobicContact CD2-CG 3.83Å; L218-F245 HydrophobicContact CD2-CZ 3.78Å
219T93.7Very high91.9Very high43 Ų4355.8 Ų55.826%0.26431%0.309SS..Hα-helixtrans-57.7-41.9-178.2-53.70000111.6S215 D216 L222 Q223S215-T219 WeakPolarHBondContact O-CB 3.46Å; S215-T219 PolarHBondContact O-N 2.88Å; S215-T219 PolarHBondContact O-OG1 2.78Å; D216-T219 PolarHBondContact O-N 3.27Å; T219-L222 PolarHBondContact O-N 2.75Å; T219-Q223 HydrophobicContact CG2-CG 4.46Å; T219-Q223 WeakPolarHBondContact O-CB 3.22Å; T219-Q223 WeakPolarHBondContact O-CG 3.34Å; T219-Q223 PolarHBondContact O-N 3.27Å
220K94.4Very high92.5Very high127 Ų12755.1 Ų55.155%0.55231%0.311SS*.Hα-helixtrans-64.6-40.5174.1-70.4158.4-162.9164.70112.1D216 L218 A224D216-K220 WeakPolarHBondContact O-CB 3.38Å; D216-K220 VanDerWaalsContact O-CD 3.26Å; D216-K220 WeakPolarHBondContact O-CD 3.36Å; D216-K220 WeakPolarHBondContact O-CG 3.34Å; D216-K220 PolarHBondContact O-N 3.47Å; D216-K220 IonicContact OD2-NZ 3.73Å; D216-K220 PolarHBondContact OD2-NZ 2.93Å; L218-K220 VanDerWaalsContact C-N 3.29Å; L218-K220 PolarHBondContact O-N 3.07Å; K220-A224 VanDerWaalsContact O-CB 3.25Å; K220-A224 WeakPolarHBondContact O-CB 3.41Å; K220-A224 PolarHBondContact O-N 3.28Å
221T94.9Very high93Very high52 Ų5255.2 Ų55.232%0.31931%0.312SS..Hα-helixtrans-63.6-41.4173.8-65.30000112.5G217 L218 G225 L240 H243G217-T221 WeakPolarHBondContact O-CB 3.47Å; G217-T221 PolarHBondContact O-N 3.49Å; G217-T221 PolarHBondContact O-OG1 2.94Å; L218-T221 CarbonylContact O-C 3.55Å; L218-T221 WeakPolarHBondContact O-CA 3.35Å; L218-T221 WeakPolarHBondContact O-CB 3.43Å; L218-T221 PolarHBondContact O-N 3.32Å; T221-G225 PolarHBondContact O-N 3.13Å; T221-L240 HydrophobicContact CG2-CD1 3.65Å; T221-H243 PolarHBondContact OG1-NE2 3.35Å
222L95.6Very high93.4Very high0 Ų056.4 Ų56.40%031%0.313CS..Iπ-helixtrans-64.1-53.1176.1-65178.9000110.7V199 L218 T219 A224 G225 L226 L227V199-L222 HydrophobicContact CB-CD1 4.1Å; V199-L222 HydrophobicContact CG1-CD1 3.79Å; L218-L222 HydrophobicContact CD1-CD1 4.43Å; L218-L222 HydrophobicContact CD1-CD2 4.28Å; L218-L222 HydrophobicContact CD1-CG 4.12Å; L218-L222 HydrophobicContact CG-CD1 4.13Å; L218-L222 HydrophobicContact CG-CG 4.22Å; L218-L222 WeakPolarHBondContact O-CG 3.24Å; L218-L222 PolarHBondContact O-N 3.32Å; T219-L222 PolarHBondContact O-N 2.75Å; L222-A224 PolarHBondContact O-N 3.16Å; L222-G225 CarbonylContact O-C 3.44Å; L222-G225 PolarHBondContact O-N 2.73Å; L222-L226 HydrophobicContact CD2-CB 4.38Å; L222-L226 HydrophobicContact CD2-CD2 3.77Å; L222-L226 PolarHBondContact O-N 2.95Å; L222-L227 HydrophobicContact CB-CD1 4.15Å; L222-L227 PolarHBondContact O-N 2.82Å
223Q94.8Very high93.7Very high96 Ų9652.8 Ų52.845%0.44930%0.304SS..Iπ-helixtrans-64.6-36.7-177.1-72.6-69.7-15.600113.4E200 T219 L227E200-Q223 PolarHBondContact OE1-NE2 2.91Å; E200-Q223 PolarHBondContact OE2-NE2 2.92Å; T219-Q223 HydrophobicContact CG2-CG 4.46Å; T219-Q223 WeakPolarHBondContact O-CB 3.22Å; T219-Q223 WeakPolarHBondContact O-CG 3.34Å; T219-Q223 PolarHBondContact O-N 3.27Å; Q223-L227 HydrophobicContact CG-CD1 4.45Å
224A94.4Very high94Very high71 Ų7145.1 Ų45.159%0.58727%0.268SS*.Iπ-helixtrans-76.8-32.117600000113.5K220 L222 N228K220-A224 VanDerWaalsContact O-CB 3.25Å; K220-A224 WeakPolarHBondContact O-CB 3.41Å; K220-A224 PolarHBondContact O-N 3.28Å; L222-A224 PolarHBondContact O-N 3.16Å; A224-N228 PolarHBondContact O-ND2 3Å; A224-N228 VanDerWaalsContact O-ND2 3.1Å
225G95.4Very high94.3Very high10 Ų1044 Ų4410%0.10327%0.265CS..Iπ-helixtrans-107.9-76.6-171.700000114.1T221 L222 N228 R234T221-G225 PolarHBondContact O-N 3.13Å; L222-G225 CarbonylContact O-C 3.44Å; L222-G225 PolarHBondContact O-N 2.73Å; G225-N228 WeakPolarHBondContact O-CB 3.48Å; G225-R234 WeakPolarHBondContact O-CG 3.44Å
226L96Very high94.5Very high2 Ų246.3 Ų46.31%0.0128%0.28CS..Iπ-helixtrans-70.9-39.1-169.3-89.460.4000113.4C192 Y193 F195 L222 N228 R234 P235 L237 L240C192-L226 HydrophobicContact CB-CG 4.15Å; C192-L226 WeakPolarHBondContact O-CB 3.31Å; C192-L226 WeakPolarHBondContact O-CG 3.5Å; Y193-L226 WeakPolarHBondContact CA-O 3.45Å; F195-L226 HydrophobicContact CD1-CD2 3.78Å; F195-L226 HydrophobicContact CE1-CD2 4.34Å; L222-L226 HydrophobicContact CD2-CB 4.38Å; L222-L226 HydrophobicContact CD2-CD2 3.77Å; L222-L226 PolarHBondContact O-N 2.95Å; L226-N228 VanDerWaalsContact C-N 3.31Å; L226-R234 VanDerWaalsContact O-CD 3.25Å; L226-R234 WeakPolarHBondContact O-CD 3.25Å; L226-R234 PolarHBondContact O-NE 3.35Å; L226-P235 HydrophobicContact CD1-CG 4.15Å; L226-L237 HydrophobicContact CD2-CD2 3.79Å; L226-L237 HydrophobicContact CG-CD2 4.24Å; L226-L240 HydrophobicContact CD2-CD2 4.19Å
227L96.4Very high94.8Very high14 Ų1443.6 Ų43.67%0.07327%0.265CS..THydrogen-bonded Turntrans-90.36.9-178.3-68.5170.1000113.2Y193 E200 L222 Q223 S229Y193-L227 HydrophobicContact CD2-CD2 4.02Å; Y193-L227 HydrophobicContact CE2-CB 4.42Å; Y193-L227 HydrophobicContact CE2-CD2 3.85Å; Y193-L227 HydrophobicContact CG-CD2 4.43Å; E200-L227 HydrophobicContact CB-CD1 4.44Å; E200-L227 WeakPolarHBondContact OE2-CD1 3.45Å; L222-L227 HydrophobicContact CB-CD1 4.15Å; L222-L227 PolarHBondContact O-N 2.82Å; Q223-L227 HydrophobicContact CG-CD1 4.45Å; L227-S229 PolarHBondContact O-N 3.4Å
228N95.4Very high95Very high50 Ų5043.9 Ų43.927%0.26726%0.264SS..  trans-60.6134.3-179.1-164.9-44000111.2A224 G225 L226 D230 R234A224-N228 PolarHBondContact O-ND2 3Å; A224-N228 VanDerWaalsContact O-ND2 3.1Å; G225-N228 WeakPolarHBondContact O-CB 3.48Å; L226-N228 VanDerWaalsContact C-N 3.31Å; N228-D230 PolarHBondContact O-N 2.92Å; N228-D230 PolarHBondContact OD1-N 2.96Å; N228-D230 VanDerWaalsContact OD1-N 3.1Å; N228-R234 HydrophobicContact CB-CG 4.35Å; N228-R234 VanDerWaalsContact O-CZ 3.28Å; N228-R234 PolarHBondContact O-NE 3.3Å; N228-R234 PolarHBondContact O-NH2 2.83Å
229S92.4Very high95Very high95 Ų9547.1 Ų47.166%0.66429%0.286SS*.SBendtrans-63.4-24.9-179.1-49.70000113.6L227 P231L227-S229 PolarHBondContact O-N 3.4Å; S229-P231 WeakPolarHBondContact O-CD 3.38Å
230D93.6Very high95.1Very high74 Ų7445.3 Ų45.340%0.39628%0.275SS..  trans-88.6114.6172.4177.410.5000110.5N228 L232 A233N228-D230 PolarHBondContact O-N 2.92Å; N228-D230 PolarHBondContact OD1-N 2.96Å; N228-D230 VanDerWaalsContact OD1-N 3.1Å; D230-L232 PolarHBondContact O-N 3.03Å; D230-L232 WeakPolarHBondContact OD1-CB 3.37Å; D230-L232 PolarHBondContact OD1-N 2.99Å; D230-A233 HydrophobicContact CB-CB 4.01Å; D230-A233 WeakPolarHBondContact O-CB 3.32Å; D230-A233 PolarHBondContact O-N 2.97Å; D230-A233 VanDerWaalsContact O-N 3.13Å
231P94.5Very high95.1Very high16 Ų1641 Ų4110%0.10426%0.258CS..G310 helixtrans-62.7-25.1176.327.4-35.8000113.2E173 L182 A189 S229 A233 R234E173-P231 HydrophobicContact CB-CG 4.16Å; E173-P231 HydrophobicContact CG-CB 4.26Å; E173-P231 HydrophobicContact CG-CG 3.99Å; L182-P231 HydrophobicContact CD1-CB 4.16Å; L182-P231 HydrophobicContact CD2-CB 4.04Å; L182-P231 HydrophobicContact CD2-CG 3.87Å; A189-P231 HydrophobicContact CB-CB 3.8Å; A189-P231 VanDerWaalsContact CB-O 3.29Å; A189-P231 WeakPolarHBondContact CB-O 3.42Å; S229-P231 WeakPolarHBondContact O-CD 3.38Å; P231-A233 VanDerWaalsContact C-N 3.3Å; P231-R234 PolarHBondContact O-N 3.31Å
232L94.5Very high94.9Very high86 Ų8644.1 Ų44.145%0.4527%0.272SS..G310 helixtrans-73.7-24.5177.6-55-179.3000112.1H186 D230 R234H186-L232 HydrophobicContact CB-CD2 4.01Å; H186-L232 PolarHBondContact CE1-O 3.31Å; H186-L232 PolarHBondContact ND1-O 3.24Å; D230-L232 PolarHBondContact O-N 3.03Å; D230-L232 WeakPolarHBondContact OD1-CB 3.37Å; D230-L232 PolarHBondContact OD1-N 2.99Å; L232-R234 VanDerWaalsContact C-N 3.35Å
233A94.7Very high94.8Very high48 Ų4845.6 Ų45.640%0.39728%0.279SS..G310 helixtrans-79.9-12.8174.900000113.6D230 P231 P235D230-A233 HydrophobicContact CB-CB 4.01Å; D230-A233 WeakPolarHBondContact O-CB 3.32Å; D230-A233 PolarHBondContact O-N 2.97Å; D230-A233 VanDerWaalsContact O-N 3.13Å; P231-A233 VanDerWaalsContact C-N 3.3Å; A233-P235 WeakPolarHBondContact O-CD 3.31Å
234R96.3Very high94.7Very high4 Ų443.9 Ų43.92%0.01528%0.278CS..PPolyproline II helixtrans-76.4118.7-175.6-59.4-172.6-167.5133.315.7111.8E173 H188 A189 C192 G225 L226 N228 P231 L232E173-R234 VanDerWaalsContact CD-NH1 3.34Å; E173-R234 IonicContact OE1-CZ 3.84Å; E173-R234 IonicContact OE1-NH1 3.23Å; E173-R234 PolarHBondContact OE1-NH1 3.38Å; E173-R234 IonicContact OE1-NH2 2.69Å; E173-R234 IonicContact OE2-CZ 2.68Å; E173-R234 IonicContact OE2-NH1 2.91Å; E173-R234 PolarHBondContact OE2-NH1 2.85Å; E173-R234 IonicContact OE2-NH2 2.64Å; E173-R234 PolarHBondContact OE2-NH2 3.46Å; H188-R234 PolarHBondContact NE2-O 3.18Å; H188-R234 VanDerWaalsContact NE2-O 3.07Å; A189-R234 HydrophobicContact CB-CB 4.11Å; A189-R234 HydrophobicContact CB-CG 4.47Å; A189-R234 VanDerWaalsContact O-CD 3.23Å; A189-R234 WeakPolarHBondContact O-CD 3.47Å; A189-R234 PolarHBondContact O-NH1 3.48Å; C192-R234 HydrophobicContact CB-CB 4.41Å; G225-R234 WeakPolarHBondContact O-CG 3.44Å; L226-R234 VanDerWaalsContact O-CD 3.25Å; L226-R234 WeakPolarHBondContact O-CD 3.25Å; L226-R234 PolarHBondContact O-NE 3.35Å; N228-R234 HydrophobicContact CB-CG 4.35Å; N228-R234 VanDerWaalsContact O-CZ 3.28Å; N228-R234 PolarHBondContact O-NE 3.3Å; N228-R234 PolarHBondContact O-NH2 2.83Å; P231-R234 PolarHBondContact O-N 3.31Å; L232-R234 VanDerWaalsContact C-N 3.35Å
235P95.4Very high94.6Very high41 Ų4141 Ų4127%0.26625%0.252SS..PPolyproline II helixtrans-69.2158.5178.330.9-35.6000111.5C192 L226 A233C192-P235 PolarHBondContact SG-O 3.31Å; L226-P235 HydrophobicContact CD1-CG 4.15Å; A233-P235 WeakPolarHBondContact O-CD 3.31Å
236P95.9Very high94.5Very high62 Ų6240.9 Ų40.940%0.40325%0.249SC..PPolyproline II helixtrans-66.7142.5171.529.9-35.2000110.6S238 S239P236-S238 PolarHBondContact O-N 3.25Å; P236-S239 PolarHBondContact O-N 2.65Å; P236-S239 PolarHBondContact O-OG 3.21Å; P236-S239 VanDerWaalsContact O-OG 3.06Å
237L96.8Very high94.3Very high1 Ų147.3 Ų47.31%0.00527%0.273CS..G310 helixtrans-55.5-24.9-175.6-74.1179.2000114.8L109 L112 V113 C192 F195 L226 S239 L240L109-L237 HydrophobicContact CD1-CB 3.8Å; L109-L237 HydrophobicContact CD1-CD1 4.38Å; L109-L237 HydrophobicContact CD1-CD2 4.03Å; L109-L237 HydrophobicContact CD1-CG 4.28Å; L112-L237 HydrophobicContact CB-CD1 3.4Å; L112-L237 HydrophobicContact CD1-CD1 3.73Å; L112-L237 HydrophobicContact CG-CD1 4.19Å; V113-L237 HydrophobicContact CG2-CB 3.72Å; C192-L237 HydrophobicContact CB-CD2 4.41Å; C192-L237 VanDerWaalsContact SG-CG 3.6Å; F195-L237 HydrophobicContact CD1-CD2 3.86Å; F195-L237 HydrophobicContact CE1-CD2 4.42Å; F195-L237 HydrophobicContact CG-CD2 4.42Å; L226-L237 HydrophobicContact CD2-CD2 3.79Å; L226-L237 HydrophobicContact CG-CD2 4.24Å; L237-S239 PolarHBondContact O-N 2.78Å; L237-L240 WeakPolarHBondContact O-CB 3.28Å; L237-L240 PolarHBondContact O-N 3.18Å
238S96.4Very high94.1Very high30 Ų3047.6 Ų47.621%0.2127%0.274CS..G310 helixtrans-63.8-18.4176.543.40000113.8E117 P236 L240E117-S238 WeakPolarHBondContact OE1-CB 3.49Å; E117-S238 PolarHBondContact OE1-OG 3.39Å; P236-S238 PolarHBondContact O-N 3.25Å; S238-L240 VanDerWaalsContact C-N 3.26Å; S238-L240 PolarHBondContact O-N 2.99Å
239S94.4Very high94Very high68 Ų6847.7 Ų47.748%0.47628%0.275SS..G310 helixtrans-66.2-29.2169.671.50000112.7P236 L237P236-S239 PolarHBondContact O-N 2.65Å; P236-S239 PolarHBondContact O-OG 3.21Å; P236-S239 VanDerWaalsContact O-OG 3.06Å; L237-S239 PolarHBondContact O-N 2.78Å
240L95.3Very high94.1Very high5 Ų543.1 Ų43.13%0.02624%0.243CC..G310 helixtrans-82.2-20-176-159.574.1000112.8L109 F195 T221 L226 L237 S238 N242 H243 F246L109-L240 HydrophobicContact CD1-CB 4.41Å; L109-L240 HydrophobicContact CD1-CD2 4.36Å; L109-L240 HydrophobicContact CD2-CB 4.19Å; L109-L240 HydrophobicContact CD2-CD2 4.28Å; L109-L240 HydrophobicContact CD2-CG 4.43Å; F195-L240 HydrophobicContact CE1-CD2 3.91Å; T221-L240 HydrophobicContact CG2-CD1 3.65Å; L226-L240 HydrophobicContact CD2-CD2 4.19Å; L237-L240 WeakPolarHBondContact O-CB 3.28Å; L237-L240 PolarHBondContact O-N 3.18Å; S238-L240 VanDerWaalsContact C-N 3.26Å; S238-L240 PolarHBondContact O-N 2.99Å; L240-N242 PolarHBondContact O-N 3.19Å; L240-H243 HydrophobicContact CD1-CB 4.15Å; L240-H243 HydrophobicContact CG-CB 4.4Å; L240-H243 VanDerWaalsContact O-CB 3.24Å; L240-H243 WeakPolarHBondContact O-CB 3.48Å; L240-H243 PolarHBondContact O-N 3.02Å; L240-F246 HydrophobicContact CD2-CE2 4.3Å; L240-F246 HydrophobicContact CG-CE2 4.15Å; L240-F246 WeakPolarHBondContact O-CD2 3.44Å
241L93.8Very high94.2Very high36 Ų3639.7 Ų39.719%0.18823%0.225CC..G310 helixtrans-55.9-24178.3-72171.3000113.8Y106 L109 Q110 V113Y106-L241 HydrophobicContact CD2-CD2 4.45Å; Y106-L241 HydrophobicContact CE2-CD2 3.77Å; L109-L241 HydrophobicContact CD2-CD2 3.81Å; L109-L241 HydrophobicContact CD2-CG 4.28Å; L109-L241 HydrophobicContact CG-CD2 3.83Å; L109-L241 HydrophobicContact CG-CG 4.39Å; Q110-L241 HydrophobicContact CG-CD2 4.32Å; V113-L241 HydrophobicContact CG1-CD1 4.29Å; V113-L241 HydrophobicContact CG2-CD1 4.21Å; V113-L241 HydrophobicContact CG2-CG 4.48Å
242N91.3Very high94.2Very high117 Ų11742 Ų4263%0.62623%0.234SC*.G310 helixtrans-99.52.2179.6-72.4-59.7000114.3L240 R247L240-N242 PolarHBondContact O-N 3.19Å; N242-R247 PolarHBondContact OD1-NH2 3.05Å
243H93.8Very high94.3Very high31 Ų3138 Ų3814%0.14421%0.213CC..  trans-63.1144.4-177.7-167.2-101.8000111.9T221 L240 F245 F246T221-H243 PolarHBondContact OG1-NE2 3.35Å; L240-H243 HydrophobicContact CD1-CB 4.15Å; L240-H243 HydrophobicContact CG-CB 4.4Å; L240-H243 VanDerWaalsContact O-CB 3.24Å; L240-H243 WeakPolarHBondContact O-CB 3.48Å; L240-H243 PolarHBondContact O-N 3.02Å; H243-F245 WeakPolarHBondContact ND1-CB 3.41Å; H243-F245 PolarHBondContact ND1-N 3.05Å; H243-F245 PolarHBondContact O-N 2.92Å; H243-F245 VanDerWaalsContact O-N 3.15Å; H243-F246 HydrophobicContact CB-CD2 4.31Å; H243-F246 PolarHBondContact O-N 3.22Å
244S92.7Very high94.2Very high61 Ų6135.7 Ų35.743%0.42719%0.194SC..G310 helixtrans-57.8-31-175.150.60000113.8L214 F246 R247L214-S244 WeakPolarHBondContact CD2-OG 3.43Å; S244-F246 PolarHBondContact O-N 2.98Å; S244-R247 WeakPolarHBondContact O-CB 3.33Å; S244-R247 PolarHBondContact O-N 3.4Å
245F92.1Very high94.1Very high9 Ų937.6 Ų37.64%0.03921%0.205CC..G310 helixtrans-52.8-33.2173.5177.3-97.2000114C102 I105 L206 V210 L218 H243 R247C102-F245 HydrophobicContact CB-CZ 4.46Å; I105-F245 HydrophobicContact CD1-CE1 4.5Å; I105-F245 HydrophobicContact CD1-CZ 4.39Å; L206-F245 HydrophobicContact CD1-CE2 3.72Å; L206-F245 HydrophobicContact CD1-CZ 3.48Å; L206-F245 VanDerWaalsContact CD1-CZ 3.48Å; V210-F245 HydrophobicContact CG1-CD2 4.22Å; V210-F245 HydrophobicContact CG1-CE2 4.43Å; V210-F245 HydrophobicContact CG2-CD2 4.47Å; V210-F245 HydrophobicContact CG2-CE2 4.05Å; L218-F245 HydrophobicContact CB-CD2 4.38Å; L218-F245 HydrophobicContact CD2-CD1 4.01Å; L218-F245 HydrophobicContact CD2-CD2 3.64Å; L218-F245 HydrophobicContact CD2-CE1 3.99Å; L218-F245 HydrophobicContact CD2-CE2 3.6Å; L218-F245 HydrophobicContact CD2-CG 3.83Å; L218-F245 HydrophobicContact CD2-CZ 3.78Å; H243-F245 WeakPolarHBondContact ND1-CB 3.41Å; H243-F245 PolarHBondContact ND1-N 3.05Å; H243-F245 PolarHBondContact O-N 2.92Å; H243-F245 VanDerWaalsContact O-N 3.15Å; F245-R247 VanDerWaalsContact C-N 3.32Å
246F93.1Very high94.2Very high8 Ų836.9 Ų36.94%0.03520%0.197CC..G310 helixtrans-90.39.2178.3-58.7-62.8000113.6I105 Y106 L109 L240 H243 S244 L251I105-F246 HydrophobicContact CB-CE1 4.35Å; I105-F246 HydrophobicContact CG2-CE1 3.89Å; I105-F246 HydrophobicContact CG2-CZ 3.84Å; Y106-F246 HydrophobicContact CD2-CB 3.93Å; Y106-F246 AromaticContact CD2-CD1 3.63Å; Y106-F246 HydrophobicContact CD2-CD1 3.63Å; Y106-F246 HydrophobicContact CD2-CD2 4.04Å; Y106-F246 HydrophobicContact CD2-CE1 4.08Å; Y106-F246 HydrophobicContact CD2-CE2 4.47Å; Y106-F246 AromaticContact CD2-CG 3.6Å; Y106-F246 HydrophobicContact CD2-CG 3.6Å; Y106-F246 HydrophobicContact CD2-CZ 4.49Å; Y106-F246 HydrophobicContact CE2-CB 4.23Å; Y106-F246 HydrophobicContact CE2-CG 4.25Å; Y106-F246 HydrophobicContact CG-CD1 4.1Å; Y106-F246 HydrophobicContact CG-CE1 4.47Å; Y106-F246 HydrophobicContact CG-CG 4.48Å; L109-F246 HydrophobicContact CD2-CD2 4.35Å; L109-F246 HydrophobicContact CD2-CE2 3.59Å; L109-F246 HydrophobicContact CD2-CZ 3.86Å; L240-F246 HydrophobicContact CD2-CE2 4.3Å; L240-F246 HydrophobicContact CG-CE2 4.15Å; L240-F246 WeakPolarHBondContact O-CD2 3.44Å; H243-F246 HydrophobicContact CB-CD2 4.31Å; H243-F246 PolarHBondContact O-N 3.22Å; S244-F246 PolarHBondContact O-N 2.98Å; F246-L251 HydrophobicContact CB-CD1 4.09Å; F246-L251 HydrophobicContact CD1-CD1 3.99Å
247R91.4Very high94.1Very high137 Ų13735.1 Ų35.152%0.51719%0.185SC..  trans-100.874.2176.7-56.1-60.6178.1171.4-5.6109.8N242 S244 F245 E252N242-R247 PolarHBondContact OD1-NH2 3.05Å; S244-R247 WeakPolarHBondContact O-CB 3.33Å; S244-R247 PolarHBondContact O-N 3.4Å; F245-R247 VanDerWaalsContact C-N 3.32Å; R247-E252 IonicContact NH1-OE1 2.71Å
248N91.6Very high94Very high20 Ų2039.9 Ų39.911%0.10721%0.205CC..SBendtrans-128.6156.3175.164.169000110.8C102 F250 L251 E252C102-N248 PolarHBondContact SG-ND2 3.03Å; N248-F250 VanDerWaalsContact C-N 3.31Å; N248-F250 PolarHBondContact O-N 3.45Å; N248-F250 PolarHBondContact OD1-N 3.44Å; N248-L251 PolarHBondContact O-N 2.93Å; N248-L251 WeakPolarHBondContact OD1-CB 3.39Å; N248-L251 PolarHBondContact OD1-N 3.21Å; N248-E252 PolarHBondContact O-N 3.45Å
249D93.9Very high93.9Very high52 Ų5240.1 Ų40.128%0.27821%0.207SC..Hα-helixtrans-58.7-39.9-173.6-73.1-46.3000113.1E252 I253 R278 L282D249-E252 PolarHBondContact O-N 2.88Å; D249-I253 HydrophobicContact CB-CD1 4.42Å; D249-I253 VanDerWaalsContact O-CB 3.29Å; D249-I253 WeakPolarHBondContact O-CB 3.44Å; D249-I253 WeakPolarHBondContact O-CD1 3.4Å; D249-I253 WeakPolarHBondContact O-CG1 3.23Å; D249-I253 PolarHBondContact O-N 3.12Å; D249-R278 HydrophobicContact CB-CB 4.35Å; D249-R278 IonicContact OD1-CZ 2.77Å; D249-R278 IonicContact OD1-NE 2.75Å; D249-R278 PolarHBondContact OD1-NE 2.95Å; D249-R278 IonicContact OD1-NH2 2.58Å; D249-R278 PolarHBondContact OD1-NH2 3.02Å; D249-L282 HydrophobicContact CB-CD2 4.48Å
250F95.1Very high93.9Very high0 Ų037.2 Ų37.20%019%0.186CC..Hα-helixtrans-61.9-50.1179.8-179.5-115.4000112.1E99 N248 E252 L254 L282 L286 R290 L291E99-F250 HydrophobicContact CB-CB 4.2Å; E99-F250 HydrophobicContact CB-CD1 3.79Å; E99-F250 HydrophobicContact CB-CE1 4.39Å; E99-F250 HydrophobicContact CB-CG 4.08Å; E99-F250 HydrophobicContact CG-CB 4.36Å; N248-F250 VanDerWaalsContact C-N 3.31Å; N248-F250 PolarHBondContact O-N 3.45Å; N248-F250 PolarHBondContact OD1-N 3.44Å; F250-E252 PolarHBondContact O-N 3.32Å; F250-L254 HydrophobicContact CD1-CD1 4.09Å; F250-L254 HydrophobicContact CD2-CD1 4.44Å; F250-L254 HydrophobicContact CE1-CD1 3.62Å; F250-L254 HydrophobicContact CE2-CD1 3.99Å; F250-L254 HydrophobicContact CE2-CG 4.25Å; F250-L254 HydrophobicContact CG-CD1 4.49Å; F250-L254 HydrophobicContact CZ-CD1 3.56Å; F250-L254 HydrophobicContact CZ-CG 4.31Å; F250-L254 WeakPolarHBondContact O-CB 3.48Å; F250-L254 VanDerWaalsContact O-CG 3.31Å; F250-L254 WeakPolarHBondContact O-CG 3.33Å; F250-L254 PolarHBondContact O-N 3.14Å; F250-L282 HydrophobicContact CB-CD1 4.31Å; F250-L282 HydrophobicContact CB-CD2 4.16Å; F250-L282 HydrophobicContact CD2-CD1 4.31Å; F250-L286 HydrophobicContact CD2-CD1 4.42Å; F250-L286 HydrophobicContact CD2-CD2 3.72Å; F250-L286 HydrophobicContact CD2-CG 4.05Å; F250-L286 HydrophobicContact CE1-CD1 4.25Å; F250-L286 HydrophobicContact CE2-CD1 3.82Å; F250-L286 HydrophobicContact CE2-CD2 3.96Å; F250-L286 HydrophobicContact CE2-CG 3.77Å; F250-L286 HydrophobicContact CG-CD2 4.02Å; F250-L286 HydrophobicContact CZ-CD1 3.71Å; F250-L286 HydrophobicContact CZ-CD2 4.44Å; F250-L286 HydrophobicContact CZ-CG 4.2Å; F250-R290 HydrophobicContact CE2-CB 3.72Å; F250-R290 HydrophobicContact CE2-CG 4.35Å; F250-R290 HydrophobicContact CZ-CB 3.72Å; F250-R290 HydrophobicContact CZ-CG 3.96Å; F250-L291 HydrophobicContact CD2-CD1 4.33Å; F250-L291 HydrophobicContact CD2-CD2 3.93Å; F250-L291 HydrophobicContact CD2-CG 4.22Å; F250-L291 HydrophobicContact CE2-CD2 3.73Å; F250-L291 HydrophobicContact CE2-CG 4.02Å
251L94.4Very high93.9Very high1 Ų141.8 Ų41.81%0.00521%0.214CC..Hα-helixtrans-64.5-39176.8-92.1178.6000112.6Y106 F246 N248 L254 N255Y106-L251 HydrophobicContact CD1-CD1 4.42Å; Y106-L251 HydrophobicContact CD1-CD2 3.72Å; Y106-L251 HydrophobicContact CD2-CD1 4.49Å; Y106-L251 HydrophobicContact CE1-CD2 4.46Å; Y106-L251 HydrophobicContact CG-CD1 4.05Å; Y106-L251 HydrophobicContact CG-CD2 4.12Å; F246-L251 HydrophobicContact CB-CD1 4.09Å; F246-L251 HydrophobicContact CD1-CD1 3.99Å; N248-L251 PolarHBondContact O-N 2.93Å; N248-L251 WeakPolarHBondContact OD1-CB 3.39Å; N248-L251 PolarHBondContact OD1-N 3.21Å; L251-L254 PolarHBondContact O-N 3.5Å; L251-N255 VanDerWaalsContact O-CB 3.25Å; L251-N255 WeakPolarHBondContact O-CB 3.42Å; L251-N255 PolarHBondContact O-N 2.8Å; L251-N255 PolarHBondContact O-ND2 2.93Å; L251-N255 VanDerWaalsContact O-ND2 3.09Å
252E94.4Very high94.1Very high66 Ų6647.1 Ų47.131%0.30824%0.242SC..Hα-helixtrans-70.9-40179.7-71.2-168.3173.100112.6R247 N248 D249 F250 N255 F256 R278R247-E252 IonicContact NH1-OE1 2.71Å; N248-E252 PolarHBondContact O-N 3.45Å; D249-E252 PolarHBondContact O-N 2.88Å; F250-E252 PolarHBondContact O-N 3.32Å; E252-N255 PolarHBondContact O-N 3.39Å; E252-F256 VanDerWaalsContact O-CB 3.32Å; E252-F256 WeakPolarHBondContact O-CB 3.28Å; E252-F256 PolarHBondContact O-N 3.04Å; E252-R278 IonicContact OE2-CZ 2.72Å; E252-R278 IonicContact OE2-NH1 2.7Å; E252-R278 IonicContact OE2-NH2 3.74Å; E252-R278 PolarHBondContact OE2-NH2 3.19Å
253I96.6Very high94.3Very high0 Ų044.4 Ų44.40%023%0.225CC..Hα-helixtrans-60.7-48.8171.5-70.1163.6000110.1D249 N255 F256 L257 F271 L275 R278 V279 L282 L291D249-I253 HydrophobicContact CB-CD1 4.42Å; D249-I253 VanDerWaalsContact O-CB 3.29Å; D249-I253 WeakPolarHBondContact O-CB 3.44Å; D249-I253 WeakPolarHBondContact O-CD1 3.4Å; D249-I253 WeakPolarHBondContact O-CG1 3.23Å; D249-I253 PolarHBondContact O-N 3.12Å; I253-N255 PolarHBondContact O-N 2.93Å; I253-F256 PolarHBondContact O-N 2.71Å; I253-L257 HydrophobicContact CG2-CD1 3.88Å; I253-L257 HydrophobicContact CG2-CG 4.5Å; I253-L257 WeakPolarHBondContact O-CB 3.29Å; I253-L257 VanDerWaalsContact O-CG 3.3Å; I253-L257 WeakPolarHBondContact O-CG 3.32Å; I253-L257 PolarHBondContact O-N 2.91Å; I253-F271 HydrophobicContact CG1-CE2 4.27Å; I253-F271 HydrophobicContact CG1-CZ 4.41Å; I253-F271 HydrophobicContact CG2-CZ 4.31Å; I253-L275 HydrophobicContact CD1-CD1 3.92Å; I253-L275 HydrophobicContact CG1-CD1 3.79Å; I253-L275 HydrophobicContact CG2-CD1 4.15Å; I253-R278 HydrophobicContact CD1-CB 3.96Å; I253-V279 HydrophobicContact CD1-CG2 3.73Å; I253-L282 HydrophobicContact CD1-CD1 4.32Å; I253-L291 HydrophobicContact CG2-CD1 4.46Å; I253-L291 HydrophobicContact CG2-CD2 3.99Å
254L94.3Very high94.5Very high1 Ų146.2 Ų46.21%0.00524%0.238CC..Hα-helixtrans-59.9-44.2177.7-76.3-178.1000112.2F250 L251 L257 K258 L291 K294F250-L254 HydrophobicContact CD1-CD1 4.09Å; F250-L254 HydrophobicContact CD2-CD1 4.44Å; F250-L254 HydrophobicContact CE1-CD1 3.62Å; F250-L254 HydrophobicContact CE2-CD1 3.99Å; F250-L254 HydrophobicContact CE2-CG 4.25Å; F250-L254 HydrophobicContact CG-CD1 4.49Å; F250-L254 HydrophobicContact CZ-CD1 3.56Å; F250-L254 HydrophobicContact CZ-CG 4.31Å; F250-L254 WeakPolarHBondContact O-CB 3.48Å; F250-L254 VanDerWaalsContact O-CG 3.31Å; F250-L254 WeakPolarHBondContact O-CG 3.33Å; F250-L254 PolarHBondContact O-N 3.14Å; L251-L254 PolarHBondContact O-N 3.5Å; L254-L257 PolarHBondContact O-N 2.85Å; L254-K258 WeakPolarHBondContact O-CB 3.42Å; L254-K258 WeakPolarHBondContact O-CG 3.38Å; L254-K258 PolarHBondContact O-N 3.01Å; L254-L291 HydrophobicContact CD2-CD2 3.8Å; L254-L291 HydrophobicContact CG-CD2 4.2Å; L254-K294 HydrophobicContact CD2-CD 3.45Å; L254-K294 VanDerWaalsContact CD2-CD 3.45Å
255N93.6Very high94.7Very high43 Ų4350.1 Ų50.123%0.2325%0.25CC..Hα-helixtrans-74.4-30.5-177.8-69.5-30.2000112.6L251 E252 I253 K258 S259L251-N255 VanDerWaalsContact O-CB 3.25Å; L251-N255 WeakPolarHBondContact O-CB 3.42Å; L251-N255 PolarHBondContact O-N 2.8Å; L251-N255 PolarHBondContact O-ND2 2.93Å; L251-N255 VanDerWaalsContact O-ND2 3.09Å; E252-N255 PolarHBondContact O-N 3.39Å; I253-N255 PolarHBondContact O-N 2.93Å; N255-K258 PolarHBondContact OD1-NZ 2.99Å; N255-S259 PolarHBondContact O-N 3.09Å; N255-S259 PolarHBondContact O-OG 2.98Å
256F96.5Very high95Very high27 Ų2756.1 Ų56.112%0.11828%0.278CS..Hα-helixtrans-65.8-49.4169.3-165.3-80.4000110.9E252 I253 K258 S259 L260 K263 E267 F271E252-F256 VanDerWaalsContact O-CB 3.32Å; E252-F256 WeakPolarHBondContact O-CB 3.28Å; E252-F256 PolarHBondContact O-N 3.04Å; I253-F256 PolarHBondContact O-N 2.71Å; F256-K258 PolarHBondContact O-N 3.3Å; F256-S259 CarbonylContact O-C 3.36Å; F256-S259 PolarHBondContact O-N 3.47Å; F256-S259 PolarHBondContact O-OG 3.32Å; F256-L260 HydrophobicContact CD1-CD1 4.31Å; F256-L260 HydrophobicContact CE1-CD1 3.78Å; F256-L260 PolarHBondContact O-N 2.89Å; F256-K263 HydrophobicContact CD2-CD 4.29Å; F256-K263 HydrophobicContact CD2-CG 4.47Å; F256-K263 HydrophobicContact CE1-CG 4.15Å; F256-K263 HydrophobicContact CE2-CD 3.73Å; F256-K263 HydrophobicContact CE2-CG 3.93Å; F256-K263 HydrophobicContact CZ-CB 4.12Å; F256-K263 HydrophobicContact CZ-CD 4.02Å; F256-K263 HydrophobicContact CZ-CG 3.74Å; F256-E267 HydrophobicContact CE2-CB 4.33Å; F256-E267 HydrophobicContact CZ-CB 4.31Å; F256-F271 HydrophobicContact CB-CD2 4.04Å; F256-F271 HydrophobicContact CB-CE2 3.59Å; F256-F271 HydrophobicContact CB-CZ 3.9Å; F256-F271 HydrophobicContact CD1-CB 4.22Å; F256-F271 AromaticContact CD1-CD1 3.45Å; F256-F271 HydrophobicContact CD1-CD1 3.45Å; F256-F271 VanDerWaalsContact CD1-CD1 3.45Å; F256-F271 AromaticContact CD1-CD2 3.7Å; F256-F271 HydrophobicContact CD1-CD2 3.7Å; F256-F271 AromaticContact CD1-CE1 3.55Å; F256-F271 HydrophobicContact CD1-CE1 3.55Å; F256-F271 AromaticContact CD1-CE2 3.8Å; F256-F271 HydrophobicContact CD1-CE2 3.8Å; F256-F271 AromaticContact CD1-CG 3.51Å; F256-F271 HydrophobicContact CD1-CG 3.51Å; F256-F271 AromaticContact CD1-CZ 3.72Å; F256-F271 HydrophobicContact CD1-CZ 3.72Å; F256-F271 HydrophobicContact CD2-CB 4.33Å; F256-F271 AromaticContact CD2-CD2 3.76Å; F256-F271 HydrophobicContact CD2-CD2 3.76Å; F256-F271 HydrophobicContact CD2-CE2 4.23Å; F256-F271 HydrophobicContact CD2-CG 4.07Å; F256-F271 HydrophobicContact CE1-CB 3.68Å; F256-F271 AromaticContact CE1-CD1 3.43Å; F256-F271 HydrophobicContact CE1-CD1 3.43Å; F256-F271 VanDerWaalsContact CE1-CD1 3.43Å; F256-F271 HydrophobicContact CE1-CD2 4.07Å; F256-F271 HydrophobicContact CE1-CE1 4Å; F256-F271 AromaticContact CE1-CG 3.45Å; F256-F271 HydrophobicContact CE1-CG 3.45Å; F256-F271 VanDerWaalsContact CE1-CG 3.45Å; F256-F271 HydrophobicContact CE2-CB 3.81Å; F256-F271 HydrophobicContact CE2-CD2 4.12Å; F256-F271 HydrophobicContact CE2-CG 4.02Å; F256-F271 HydrophobicContact CG-CD1 4.18Å; F256-F271 AromaticContact CG-CD2 3.54Å; F256-F271 HydrophobicContact CG-CD2 3.54Å; F256-F271 HydrophobicContact CG-CE1 4.23Å; F256-F271 AromaticContact CG-CE2 3.61Å; F256-F271 HydrophobicContact CG-CE2 3.61Å; F256-F271 AromaticContact CG-CG 3.84Å; F256-F271 HydrophobicContact CG-CG 3.84Å; F256-F271 AromaticContact CG-CZ 3.95Å; F256-F271 HydrophobicContact CG-CZ 3.95Å; F256-F271 HydrophobicContact CZ-CB 3.46Å; F256-F271 VanDerWaalsContact CZ-CB 3.46Å; F256-F271 HydrophobicContact CZ-CD1 4.15Å; F256-F271 HydrophobicContact CZ-CD2 4.28Å; F256-F271 AromaticContact CZ-CG 3.72Å; F256-F271 HydrophobicContact CZ-CG 3.72Å
257L95.6Very high95.2Very high25 Ų2559 Ų5913%0.13129%0.291CS..Hα-helixtrans-62.3-40.3177.8-67.5172.1000112.4I253 L254 S259 L260 F271 F272 K294 L295 V300I253-L257 HydrophobicContact CG2-CD1 3.88Å; I253-L257 HydrophobicContact CG2-CG 4.5Å; I253-L257 WeakPolarHBondContact O-CB 3.29Å; I253-L257 VanDerWaalsContact O-CG 3.3Å; I253-L257 WeakPolarHBondContact O-CG 3.32Å; I253-L257 PolarHBondContact O-N 2.91Å; L254-L257 PolarHBondContact O-N 2.85Å; L257-S259 PolarHBondContact O-N 3.35Å; L257-L260 PolarHBondContact O-N 3.31Å; L257-F271 HydrophobicContact CD2-CE1 4.22Å; L257-F271 HydrophobicContact CG-CZ 4.43Å; L257-F272 HydrophobicContact CD2-CZ 4.48Å; L257-K294 HydrophobicContact CD1-CB 4.13Å; L257-L295 HydrophobicContact CD1-CD2 3.78Å; L257-L295 HydrophobicContact CD1-CG 4.2Å; L257-L295 HydrophobicContact CD2-CD2 4.21Å; L257-V300 HydrophobicContact CD2-CG2 4.16Å
258K92.6Very high95.4Very high101 Ų10154 Ų5444%0.43927%0.273SS..Hα-helixtrans-57.8-24.3171.8-78.7172.4-178.5176.80113.2D107 L254 N255 F256D107-K258 IonicContact OD1-NZ 3.66Å; L254-K258 WeakPolarHBondContact O-CB 3.42Å; L254-K258 WeakPolarHBondContact O-CG 3.38Å; L254-K258 PolarHBondContact O-N 3.01Å; N255-K258 PolarHBondContact OD1-NZ 2.99Å; F256-K258 PolarHBondContact O-N 3.3Å
259S94.5Very high95.7Very high34 Ų3456 Ų5624%0.23828%0.284CS..THydrogen-bonded Turntrans-117.711.4-175.859.30000114.3N255 F256 L257 T261 L262N255-S259 PolarHBondContact O-N 3.09Å; N255-S259 PolarHBondContact O-OG 2.98Å; F256-S259 CarbonylContact O-C 3.36Å; F256-S259 PolarHBondContact O-N 3.47Å; F256-S259 PolarHBondContact O-OG 3.32Å; L257-S259 PolarHBondContact O-N 3.35Å; S259-T261 VanDerWaalsContact C-N 3.26Å; S259-T261 PolarHBondContact O-N 2.91Å; S259-T261 VanDerWaalsContact O-N 3.08Å; S259-L262 WeakPolarHBondContact O-CA 3.47Å; S259-L262 WeakPolarHBondContact O-CB 3.5Å; S259-L262 PolarHBondContact O-N 3.19Å
260L95.7Very high95.8Very high7 Ų759.8 Ų59.84%0.03730%0.3CS..G310 helixtrans-54.4-34.4-170-179.362.9000114.5F256 L257 L262 K263 K268 F272 L299 V300F256-L260 HydrophobicContact CD1-CD1 4.31Å; F256-L260 HydrophobicContact CE1-CD1 3.78Å; F256-L260 PolarHBondContact O-N 2.89Å; L257-L260 PolarHBondContact O-N 3.31Å; L260-L262 PolarHBondContact O-N 2.94Å; L260-K263 PolarHBondContact O-N 3.32Å; L260-K268 HydrophobicContact CD1-CG 3.96Å; L260-K268 WeakPolarHBondContact O-CE 3.16Å; L260-F272 HydrophobicContact CD1-CE2 3.91Å; L260-F272 HydrophobicContact CD1-CZ 4.12Å; L260-F272 HydrophobicContact CD2-CZ 4.39Å; L260-L299 HydrophobicContact CD2-CB 4.06Å; L260-V300 HydrophobicContact CD2-CG2 4.1Å
261T95Very high96Very high102 Ų10260.5 Ų60.563%0.62630%0.303SS*.G310 helixtrans-74.3-11.5177.952.70000114.2S259 L299S259-T261 VanDerWaalsContact C-N 3.26Å; S259-T261 PolarHBondContact O-N 2.91Å; S259-T261 VanDerWaalsContact O-N 3.08Å; T261-L299 HydrophobicContact CG2-CD1 3.84Å; T261-L299 HydrophobicContact CG2-CD2 4.26Å
262L96.9Very high96.1Very high147 Ų14760.5 Ų60.577%0.7730%0.303SS*.G310 helixtrans-101.5-0.5177.9-53.9178.7000112.6S259 L260S259-L262 WeakPolarHBondContact O-CA 3.47Å; S259-L262 WeakPolarHBondContact O-CB 3.5Å; S259-L262 PolarHBondContact O-N 3.19Å; L260-L262 PolarHBondContact O-N 2.94Å
263K97.3Very high96.1Very high60 Ų6062.9 Ų62.926%0.26131%0.312SS..SBendtrans-92.6143.8-176.4-68.7-67.1-175.5-176.30112.1F256 L260 E267 K268F256-K263 HydrophobicContact CD2-CD 4.29Å; F256-K263 HydrophobicContact CD2-CG 4.47Å; F256-K263 HydrophobicContact CE1-CG 4.15Å; F256-K263 HydrophobicContact CE2-CD 3.73Å; F256-K263 HydrophobicContact CE2-CG 3.93Å; F256-K263 HydrophobicContact CZ-CB 4.12Å; F256-K263 HydrophobicContact CZ-CD 4.02Å; F256-K263 HydrophobicContact CZ-CG 3.74Å; L260-K263 PolarHBondContact O-N 3.32Å; K263-E267 WeakPolarHBondContact CA-OE2 3.17Å; K263-E267 HydrophobicContact CB-CB 4.33Å; K263-E267 HydrophobicContact CD-CB 4.18Å; K263-E267 HydrophobicContact CD-CG 4.44Å; K263-E267 VanDerWaalsContact CD-OE1 3.3Å; K263-E267 WeakPolarHBondContact CD-OE1 3.43Å; K263-E267 WeakPolarHBondContact CD-OE2 3.31Å; K263-E267 IonicContact NZ-OE1 2.72Å; K263-E267 PolarHBondContact NZ-OE1 3.5Å; K263-E267 IonicContact NZ-OE2 3.61Å; K263-K268 HydrophobicContact CB-CD 4.49Å; K263-K268 HydrophobicContact CB-CG 3.94Å; K263-K268 VanDerWaalsContact O-CE 3.31Å; K263-K268 WeakPolarHBondContact O-CE 3.47Å
264T97.6Very high96.1Very high69 Ų6967 Ų6742%0.42333%0.33SS..  trans-71.6161.9175.185.10000111.2E266 E267 K268T264-E266 WeakPolarHBondContact CB-OE2 3.4Å; T264-E266 PolarHBondContact O-N 2.88Å; T264-E266 PolarHBondContact OG1-N 3.4Å; T264-E266 PolarHBondContact OG1-OE2 2.92Å; T264-E267 PolarHBondContact N-OE2 2.97Å; T264-E267 PolarHBondContact O-N 3.29Å; T264-E267 PolarHBondContact OG1-N 3.38Å; T264-K268 WeakPolarHBondContact O-CB 3.42Å; T264-K268 WeakPolarHBondContact O-CD 3.26Å; T264-K268 VanDerWaalsContact O-CG 3.23Å; T264-K268 WeakPolarHBondContact O-CG 3.35Å; T264-K268 PolarHBondContact O-N 3.41Å
265E96.8Very high96.2Very high144 Ų14467 Ų6767%0.67333%0.33SS*.Hα-helixtrans-61.9-32.9177.2-64.4-173178.200111.6N269E265-N269 VanDerWaalsContact O-CB 3.26Å; E265-N269 WeakPolarHBondContact O-CB 3.46Å; E265-N269 VanDerWaalsContact O-CG 3.32Å; E265-N269 PolarHBondContact O-N 3.4Å; E265-N269 PolarHBondContact O-ND2 2.92Å
266E97.1Very high96.2Very high135 Ų13565.9 Ų65.963%0.63132%0.324SS*.Hα-helixtrans-66.1-48.7174.9-55.178.3-172.600111.5T264 K268 N269 E270T264-E266 WeakPolarHBondContact CB-OE2 3.4Å; T264-E266 PolarHBondContact O-N 2.88Å; T264-E266 PolarHBondContact OG1-N 3.4Å; T264-E266 PolarHBondContact OG1-OE2 2.92Å; E266-K268 VanDerWaalsContact C-N 3.29Å; E266-K268 PolarHBondContact O-N 3.02Å; E266-N269 PolarHBondContact O-N 3.13Å; E266-E270 WeakPolarHBondContact O-CB 3.32Å; E266-E270 PolarHBondContact O-N 3.27Å
267E97.3Very high96.1Very high69 Ų6968.5 Ų68.532%0.32234%0.34SS..Hα-helixtrans-58.7-42176.6-69.5-174.710000111.7F256 K263 T264 F271F256-E267 HydrophobicContact CE2-CB 4.33Å; F256-E267 HydrophobicContact CZ-CB 4.31Å; K263-E267 WeakPolarHBondContact CA-OE2 3.17Å; K263-E267 HydrophobicContact CB-CB 4.33Å; K263-E267 HydrophobicContact CD-CB 4.18Å; K263-E267 HydrophobicContact CD-CG 4.44Å; K263-E267 VanDerWaalsContact CD-OE1 3.3Å; K263-E267 WeakPolarHBondContact CD-OE1 3.43Å; K263-E267 WeakPolarHBondContact CD-OE2 3.31Å; K263-E267 IonicContact NZ-OE1 2.72Å; K263-E267 PolarHBondContact NZ-OE1 3.5Å; K263-E267 IonicContact NZ-OE2 3.61Å; T264-E267 PolarHBondContact N-OE2 2.97Å; T264-E267 PolarHBondContact O-N 3.29Å; T264-E267 PolarHBondContact OG1-N 3.38Å; E267-F271 VanDerWaalsContact O-CB 3.23Å; E267-F271 WeakPolarHBondContact O-CB 3.35Å; E267-F271 PolarHBondContact O-N 2.89Å
268K97.4Very high96Very high32 Ų3270 Ų7014%0.13934%0.344CS..Hα-helixtrans-64.9-47.9177.2-70.6162.8163.4-155.20111.7L260 K263 T264 E266 E270 F271 F272 E303L260-K268 HydrophobicContact CD1-CG 3.96Å; L260-K268 WeakPolarHBondContact O-CE 3.16Å; K263-K268 HydrophobicContact CB-CD 4.49Å; K263-K268 HydrophobicContact CB-CG 3.94Å; K263-K268 VanDerWaalsContact O-CE 3.31Å; K263-K268 WeakPolarHBondContact O-CE 3.47Å; T264-K268 WeakPolarHBondContact O-CB 3.42Å; T264-K268 WeakPolarHBondContact O-CD 3.26Å; T264-K268 VanDerWaalsContact O-CG 3.23Å; T264-K268 WeakPolarHBondContact O-CG 3.35Å; T264-K268 PolarHBondContact O-N 3.41Å; E266-K268 VanDerWaalsContact C-N 3.29Å; E266-K268 PolarHBondContact O-N 3.02Å; K268-E270 VanDerWaalsContact C-N 3.34Å; K268-E270 PolarHBondContact O-N 3.23Å; K268-F271 PolarHBondContact O-N 3.33Å; K268-F272 WeakPolarHBondContact O-CD2 3.3Å; K268-F272 PolarHBondContact O-N 3.43Å; K268-E303 WeakPolarHBondContact CD-OE1 3.4Å; K268-E303 WeakPolarHBondContact CE-OE1 3.3Å; K268-E303 IonicContact NZ-OE1 3.41Å; K268-E303 PolarHBondContact NZ-OE1 3.22Å
269N97.1Very high96.1Very high62 Ų6265.2 Ų65.233%0.33232%0.323SS..Hα-helixtrans-63.9-38.1179-81.8-61.8000111.9E265 E266 K273 M305E265-N269 VanDerWaalsContact O-CB 3.26Å; E265-N269 WeakPolarHBondContact O-CB 3.46Å; E265-N269 VanDerWaalsContact O-CG 3.32Å; E265-N269 PolarHBondContact O-N 3.4Å; E265-N269 PolarHBondContact O-ND2 2.92Å; E266-N269 PolarHBondContact O-N 3.13Å; N269-K273 WeakPolarHBondContact O-CB 3.04Å; N269-K273 PolarHBondContact O-N 3.48Å; N269-M305 HydrophobicContact CB-CE 4.32Å
270E96.9Very high96Very high130 Ų13067.6 Ų67.661%0.60733%0.33SS*.Hα-helixtrans-68.5-46.8174-175.2163.9-144.600111.7E266 K268 K273 F274E266-E270 WeakPolarHBondContact O-CB 3.32Å; E266-E270 PolarHBondContact O-N 3.27Å; K268-E270 VanDerWaalsContact C-N 3.34Å; K268-E270 PolarHBondContact O-N 3.23Å; E270-K273 PolarHBondContact O-N 3.49Å; E270-F274 HydrophobicContact CG-CD2 4.05Å; E270-F274 HydrophobicContact CG-CE2 4.11Å; E270-F274 WeakPolarHBondContact O-CD2 3.25Å; E270-F274 PolarHBondContact O-N 3.22Å
271F97.5Very high95.8Very high15 Ų1572.7 Ų72.77%0.06636%0.357CS..Hα-helixtrans-57-55.3178175.6-100.7000112.3I253 F256 L257 E267 K268 K273 F274 L275I253-F271 HydrophobicContact CG1-CE2 4.27Å; I253-F271 HydrophobicContact CG1-CZ 4.41Å; I253-F271 HydrophobicContact CG2-CZ 4.31Å; F256-F271 HydrophobicContact CB-CD2 4.04Å; F256-F271 HydrophobicContact CB-CE2 3.59Å; F256-F271 HydrophobicContact CB-CZ 3.9Å; F256-F271 HydrophobicContact CD1-CB 4.22Å; F256-F271 AromaticContact CD1-CD1 3.45Å; F256-F271 HydrophobicContact CD1-CD1 3.45Å; F256-F271 VanDerWaalsContact CD1-CD1 3.45Å; F256-F271 AromaticContact CD1-CD2 3.7Å; F256-F271 HydrophobicContact CD1-CD2 3.7Å; F256-F271 AromaticContact CD1-CE1 3.55Å; F256-F271 HydrophobicContact CD1-CE1 3.55Å; F256-F271 AromaticContact CD1-CE2 3.8Å; F256-F271 HydrophobicContact CD1-CE2 3.8Å; F256-F271 AromaticContact CD1-CG 3.51Å; F256-F271 HydrophobicContact CD1-CG 3.51Å; F256-F271 AromaticContact CD1-CZ 3.72Å; F256-F271 HydrophobicContact CD1-CZ 3.72Å; F256-F271 HydrophobicContact CD2-CB 4.33Å; F256-F271 AromaticContact CD2-CD2 3.76Å; F256-F271 HydrophobicContact CD2-CD2 3.76Å; F256-F271 HydrophobicContact CD2-CE2 4.23Å; F256-F271 HydrophobicContact CD2-CG 4.07Å; F256-F271 HydrophobicContact CE1-CB 3.68Å; F256-F271 AromaticContact CE1-CD1 3.43Å; F256-F271 HydrophobicContact CE1-CD1 3.43Å; F256-F271 VanDerWaalsContact CE1-CD1 3.43Å; F256-F271 HydrophobicContact CE1-CD2 4.07Å; F256-F271 HydrophobicContact CE1-CE1 4Å; F256-F271 AromaticContact CE1-CG 3.45Å; F256-F271 HydrophobicContact CE1-CG 3.45Å; F256-F271 VanDerWaalsContact CE1-CG 3.45Å; F256-F271 HydrophobicContact CE2-CB 3.81Å; F256-F271 HydrophobicContact CE2-CD2 4.12Å; F256-F271 HydrophobicContact CE2-CG 4.02Å; F256-F271 HydrophobicContact CG-CD1 4.18Å; F256-F271 AromaticContact CG-CD2 3.54Å; F256-F271 HydrophobicContact CG-CD2 3.54Å; F256-F271 HydrophobicContact CG-CE1 4.23Å; F256-F271 AromaticContact CG-CE2 3.61Å; F256-F271 HydrophobicContact CG-CE2 3.61Å; F256-F271 AromaticContact CG-CG 3.84Å; F256-F271 HydrophobicContact CG-CG 3.84Å; F256-F271 AromaticContact CG-CZ 3.95Å; F256-F271 HydrophobicContact CG-CZ 3.95Å; F256-F271 HydrophobicContact CZ-CB 3.46Å; F256-F271 VanDerWaalsContact CZ-CB 3.46Å; F256-F271 HydrophobicContact CZ-CD1 4.15Å; F256-F271 HydrophobicContact CZ-CD2 4.28Å; F256-F271 AromaticContact CZ-CG 3.72Å; F256-F271 HydrophobicContact CZ-CG 3.72Å; L257-F271 HydrophobicContact CD2-CE1 4.22Å; L257-F271 HydrophobicContact CG-CZ 4.43Å; E267-F271 VanDerWaalsContact O-CB 3.23Å; E267-F271 WeakPolarHBondContact O-CB 3.35Å; E267-F271 PolarHBondContact O-N 2.89Å; K268-F271 PolarHBondContact O-N 3.33Å; F271-K273 VanDerWaalsContact C-N 3.28Å; F271-K273 PolarHBondContact O-N 2.95Å; F271-F274 PolarHBondContact O-N 2.88Å; F271-L275 HydrophobicContact CE1-CD1 4.04Å; F271-L275 HydrophobicContact CE1-CD2 3.99Å; F271-L275 HydrophobicContact CE2-CD1 4.13Å; F271-L275 HydrophobicContact CZ-CD1 3.66Å; F271-L275 HydrophobicContact CZ-CD2 4.41Å; F271-L275 WeakPolarHBondContact O-CB 3.31Å; F271-L275 PolarHBondContact O-N 3.44Å
272F97.6Very high95.7Very high1 Ų168.5 Ų68.50%0.00433%0.331CS..Hα-helixtrans-71.3-21.2-176.8-72.3-63.1000114L257 L260 K268 L275 V300 E303 M305 A306L257-F272 HydrophobicContact CD2-CZ 4.48Å; L260-F272 HydrophobicContact CD1-CE2 3.91Å; L260-F272 HydrophobicContact CD1-CZ 4.12Å; L260-F272 HydrophobicContact CD2-CZ 4.39Å; K268-F272 WeakPolarHBondContact O-CD2 3.3Å; K268-F272 PolarHBondContact O-N 3.43Å; F272-L275 HydrophobicContact CD1-CD2 3.67Å; F272-L275 HydrophobicContact CE1-CD2 3.92Å; F272-V300 HydrophobicContact CE1-CG1 3.83Å; F272-V300 HydrophobicContact CZ-CG1 4.05Å; F272-V300 HydrophobicContact CZ-CG2 4.35Å; F272-E303 HydrophobicContact CD2-CB 4.04Å; F272-E303 HydrophobicContact CD2-CG 4.38Å; F272-E303 HydrophobicContact CE2-CB 3.81Å; F272-E303 HydrophobicContact CE2-CG 3.71Å; F272-E303 HydrophobicContact CZ-CB 4.5Å; F272-E303 HydrophobicContact CZ-CG 4.36Å; F272-M305 HydrophobicContact CB-CB 3.9Å; F272-M305 HydrophobicContact CB-CG 3.85Å; F272-A306 HydrophobicContact CB-CB 4.22Å; F272-A306 HydrophobicContact CD1-CB 3.5Å; F272-A306 HydrophobicContact CD2-CB 4.1Å; F272-A306 HydrophobicContact CE1-CB 3.8Å; F272-A306 HydrophobicContact CE2-CB 4.37Å; F272-A306 HydrophobicContact CG-CB 3.68Å; F272-A306 HydrophobicContact CZ-CB 4.23Å
273K95.2Very high95.5Very high116 Ų11664 Ų6450%0.50431%0.311SS..Hα-helixtrans-68.2-37173174.8-172.7171.2-164.80112.3N269 E270 F271 M305N269-K273 WeakPolarHBondContact O-CB 3.04Å; N269-K273 PolarHBondContact O-N 3.48Å; E270-K273 PolarHBondContact O-N 3.49Å; F271-K273 VanDerWaalsContact C-N 3.28Å; F271-K273 PolarHBondContact O-N 2.95Å; K273-M305 HydrophobicContact CB-CG 4.1Å; K273-M305 HydrophobicContact CB-SD 4.15Å
274F95.2Very high95.3Very high87 Ų8763.4 Ų63.438%0.38231%0.309SS..Hα-helixtrans-107.44.5-178-61.2-63.8000113.4E270 F271 L276 D277 R278E270-F274 HydrophobicContact CG-CD2 4.05Å; E270-F274 HydrophobicContact CG-CE2 4.11Å; E270-F274 WeakPolarHBondContact O-CD2 3.25Å; E270-F274 PolarHBondContact O-N 3.22Å; F271-F274 PolarHBondContact O-N 2.88Å; F274-L276 VanDerWaalsContact C-N 3.27Å; F274-L276 PolarHBondContact O-N 3.42Å; F274-D277 PolarHBondContact O-N 2.87Å; F274-R278 WeakPolarHBondContact O-CG 3.2Å; F274-R278 PolarHBondContact O-N 3.4Å
275L96.6Very high95.1Very high0 Ų064.1 Ų64.10%031%0.307CS..Hα-helixtrans-62.1-35.5-177.2-178.760.3000112.4I253 F271 F272 R278 V279 L295 F310I253-L275 HydrophobicContact CD1-CD1 3.92Å; I253-L275 HydrophobicContact CG1-CD1 3.79Å; I253-L275 HydrophobicContact CG2-CD1 4.15Å; F271-L275 HydrophobicContact CE1-CD1 4.04Å; F271-L275 HydrophobicContact CE1-CD2 3.99Å; F271-L275 HydrophobicContact CE2-CD1 4.13Å; F271-L275 HydrophobicContact CZ-CD1 3.66Å; F271-L275 HydrophobicContact CZ-CD2 4.41Å; F271-L275 WeakPolarHBondContact O-CB 3.31Å; F271-L275 PolarHBondContact O-N 3.44Å; F272-L275 HydrophobicContact CD1-CD2 3.67Å; F272-L275 HydrophobicContact CE1-CD2 3.92Å; L275-R278 PolarHBondContact O-N 3.09Å; L275-V279 HydrophobicContact CD1-CG2 3.64Å; L275-V279 HydrophobicContact CG-CG2 3.92Å; L275-V279 WeakPolarHBondContact O-CB 3.3Å; L275-V279 VanDerWaalsContact O-CG2 3.25Å; L275-V279 WeakPolarHBondContact O-CG2 3.11Å; L275-V279 PolarHBondContact O-N 3.15Å; L275-L295 HydrophobicContact CD2-CD2 3.8Å; L275-F310 HydrophobicContact CB-CD2 4.02Å; L275-F310 HydrophobicContact CB-CE2 4.37Å; L275-F310 HydrophobicContact CB-CG 4.5Å; L275-F310 HydrophobicContact CD2-CD1 3.86Å; L275-F310 HydrophobicContact CD2-CD2 3.88Å; L275-F310 HydrophobicContact CD2-CE1 3.88Å; L275-F310 HydrophobicContact CD2-CE2 3.9Å; L275-F310 HydrophobicContact CD2-CG 3.86Å; L275-F310 HydrophobicContact CD2-CZ 3.91Å; L275-F310 HydrophobicContact CG-CD2 3.81Å; L275-F310 HydrophobicContact CG-CE2 3.71Å; L275-F310 HydrophobicContact CG-CG 4.3Å; L275-F310 HydrophobicContact CG-CZ 4.13Å
276L95.1Very high95Very high21 Ų2157.5 Ų57.511%0.1128%0.276CS..Hα-helixtrans-60.1-48.7177.9-175.960.2000111.4F274 R278 V279 Q280 F310 H313 D329 L331F274-L276 VanDerWaalsContact C-N 3.27Å; F274-L276 PolarHBondContact O-N 3.42Å; L276-R278 PolarHBondContact O-N 2.88Å; L276-R278 VanDerWaalsContact O-N 3.16Å; L276-V279 PolarHBondContact O-N 3.46Å; L276-Q280 WeakPolarHBondContact O-CB 3.43Å; L276-Q280 WeakPolarHBondContact O-CG 3.17Å; L276-Q280 PolarHBondContact O-N 3Å; L276-F310 HydrophobicContact CB-CD2 4.25Å; L276-H313 HydrophobicContact CD1-CB 3.67Å; L276-H313 HydrophobicContact CD2-CB 4.44Å; L276-H313 WeakPolarHBondContact CD2-ND1 3.46Å; L276-D329 HydrophobicContact CD2-CB 3.95Å; L276-L331 HydrophobicContact CD1-CD1 4.26Å; L276-L331 HydrophobicContact CD1-CD2 3.98Å; L276-L331 HydrophobicContact CD1-CG 4.11Å
277D93.6Very high94.9Very high82 Ų8251.2 Ų51.244%0.43925%0.247SC..Hα-helixtrans-57.4-31.5179.4-60.9-63.4000113.1F274 N281F274-D277 PolarHBondContact O-N 2.87Å; D277-N281 PolarHBondContact O-ND2 3.03Å
278R94Very high94.8Very high57 Ų5748 Ų4822%0.21523%0.232CC..Hα-helixtrans-84.8-44.3179.5-56.9-178.375.216712.8112D249 E252 I253 F274 L275 L276D249-R278 HydrophobicContact CB-CB 4.35Å; D249-R278 IonicContact OD1-CZ 2.77Å; D249-R278 IonicContact OD1-NE 2.75Å; D249-R278 PolarHBondContact OD1-NE 2.95Å; D249-R278 IonicContact OD1-NH2 2.58Å; D249-R278 PolarHBondContact OD1-NH2 3.02Å; E252-R278 IonicContact OE2-CZ 2.72Å; E252-R278 IonicContact OE2-NH1 2.7Å; E252-R278 IonicContact OE2-NH2 3.74Å; E252-R278 PolarHBondContact OE2-NH2 3.19Å; I253-R278 HydrophobicContact CD1-CB 3.96Å; F274-R278 WeakPolarHBondContact O-CG 3.2Å; F274-R278 PolarHBondContact O-N 3.4Å; L275-R278 PolarHBondContact O-N 3.09Å; L276-R278 PolarHBondContact O-N 2.88Å; L276-R278 VanDerWaalsContact O-N 3.16Å
279V94.6Very high94.6Very high0 Ų048 Ų480%024%0.237CC..Hα-helixtrans-69.8-36.5-176.91740000111.6I253 L275 L276 N281 L282 I287 L291 F310 L331I253-V279 HydrophobicContact CD1-CG2 3.73Å; L275-V279 HydrophobicContact CD1-CG2 3.64Å; L275-V279 HydrophobicContact CG-CG2 3.92Å; L275-V279 WeakPolarHBondContact O-CB 3.3Å; L275-V279 VanDerWaalsContact O-CG2 3.25Å; L275-V279 WeakPolarHBondContact O-CG2 3.11Å; L275-V279 PolarHBondContact O-N 3.15Å; L276-V279 PolarHBondContact O-N 3.46Å; V279-N281 PolarHBondContact O-N 3.19Å; V279-L282 WeakPolarHBondContact O-CB 3.16Å; V279-L282 PolarHBondContact O-N 3.15Å; V279-L282 VanDerWaalsContact O-N 3.08Å; V279-I287 HydrophobicContact CG1-CD1 3.93Å; V279-I287 HydrophobicContact CG1-CG1 3.97Å; V279-I287 HydrophobicContact CG1-CG2 3.8Å; V279-I287 VanDerWaalsContact O-CD1 3.3Å; V279-I287 WeakPolarHBondContact O-CD1 3.21Å; V279-L291 HydrophobicContact CG1-CD1 4.49Å; V279-L291 HydrophobicContact CG2-CD1 4.38Å; V279-F310 HydrophobicContact CB-CE2 4.29Å; V279-F310 HydrophobicContact CG2-CE2 4.14Å; V279-F310 HydrophobicContact CG2-CZ 4.28Å; V279-L331 HydrophobicContact CB-CD2 4.44Å; V279-L331 HydrophobicContact CG1-CD1 3.81Å; V279-L331 HydrophobicContact CG1-CD2 3.91Å; V279-L331 HydrophobicContact CG1-CG 4.48Å
280Q92.4Very high94.5Very high84 Ų8445.5 Ų45.539%0.39322%0.222SC..THydrogen-bonded Turntrans-64.2-20.1-178.471.7-171.40.300114.6L276 L282 L331L276-Q280 WeakPolarHBondContact O-CB 3.43Å; L276-Q280 WeakPolarHBondContact O-CG 3.17Å; L276-Q280 PolarHBondContact O-N 3Å; Q280-L282 VanDerWaalsContact C-N 3.31Å; Q280-L331 HydrophobicContact CB-CD2 4.06Å
281N90.3Very high94.4Very high113 Ų11339.3 Ų39.360%0.60419%0.194SC*.THydrogen-bonded Turntrans-82.2-7.7177.2-60.1-34.2000113.1D277 V279D277-N281 PolarHBondContact O-ND2 3.03Å; V279-N281 PolarHBondContact O-N 3.19Å
282L93.1Very high94.4Very high14 Ų1438.6 Ų38.67%0.07319%0.19CC..SBendtrans-91.5152.7-176.1-60.3177.8000112.1D249 F250 I253 V279 Q280 L286 I287 L291D249-L282 HydrophobicContact CB-CD2 4.48Å; F250-L282 HydrophobicContact CB-CD1 4.31Å; F250-L282 HydrophobicContact CB-CD2 4.16Å; F250-L282 HydrophobicContact CD2-CD1 4.31Å; I253-L282 HydrophobicContact CD1-CD1 4.32Å; V279-L282 WeakPolarHBondContact O-CB 3.16Å; V279-L282 PolarHBondContact O-N 3.15Å; V279-L282 VanDerWaalsContact O-N 3.08Å; Q280-L282 VanDerWaalsContact C-N 3.31Å; L282-L286 HydrophobicContact CB-CD2 4.42Å; L282-I287 HydrophobicContact CB-CD1 4.29Å; L282-I287 HydrophobicContact CB-CG1 3.9Å; L282-I287 WeakPolarHBondContact O-CD1 3.31Å; L282-L291 HydrophobicContact CD1-CD1 3.65Å
283P92.6Very high94.2Very high53 Ų5340.9 Ų40.934%0.34421%0.205SC..  trans-57.1137.6175.4-26.134.1000113E99 E285 L286 I287E99-P283 WeakPolarHBondContact OE1-CD 3.33Å; E99-P283 VanDerWaalsContact OE1-CG 3.28Å; E99-P283 WeakPolarHBondContact OE1-CG 3.42Å; P283-E285 PolarHBondContact O-N 2.95Å; P283-L286 HydrophobicContact CB-CB 4.05Å; P283-L286 WeakPolarHBondContact O-CA 3.48Å; P283-L286 VanDerWaalsContact O-CB 3.25Å; P283-L286 WeakPolarHBondContact O-CB 3.36Å; P283-L286 PolarHBondContact O-N 2.75Å; P283-I287 WeakPolarHBondContact O-CG1 3.46Å; P283-I287 PolarHBondContact O-N 2.68Å
284E93.8Very high94.2Very high48 Ų4838 Ų3822%0.22419%0.193CC..Hα-helixtrans-63.5-39.1-169.7-159.8-177.510700113.9L286 I287 A288 K318 L332 S333 L336E284-L286 VanDerWaalsContact C-N 3.3Å; E284-L286 PolarHBondContact O-N 3Å; E284-I287 PolarHBondContact O-N 2.99Å; E284-A288 VanDerWaalsContact O-CB 3.31Å; E284-A288 WeakPolarHBondContact O-CB 3.43Å; E284-A288 PolarHBondContact O-N 3.07Å; E284-K318 IonicContact OE2-NZ 3.84Å; E284-K318 PolarHBondContact OE2-NZ 3.4Å; E284-L332 HydrophobicContact CG-CD2 3.68Å; E284-S333 VanDerWaalsContact CD-N 3.31Å; E284-S333 WeakPolarHBondContact OE1-CB 3.37Å; E284-S333 PolarHBondContact OE1-N 3.39Å; E284-S333 PolarHBondContact OE1-OG 2.96Å; E284-L336 HydrophobicContact CB-CD1 4.26Å; E284-L336 HydrophobicContact CG-CD1 4Å
285E93.3Very high94.3Very high83 Ų8333.9 Ų33.939%0.38818%0.175SC..Hα-helixtrans-69.5-27.6175-170.375-119.200111.9P283 A288 S289 L336 K339 H340P283-E285 PolarHBondContact O-N 2.95Å; E285-A288 PolarHBondContact O-N 3.26Å; E285-S289 VanDerWaalsContact O-CB 3.28Å; E285-S289 WeakPolarHBondContact O-CB 3.42Å; E285-S289 PolarHBondContact O-N 3.08Å; E285-S289 PolarHBondContact O-OG 2.64Å; E285-L336 HydrophobicContact CB-CD1 4.24Å; E285-L336 VanDerWaalsContact OE2-CD2 3.23Å; E285-L336 WeakPolarHBondContact OE2-CD2 3.29Å; E285-K339 VanDerWaalsContact CD-NZ 3.29Å; E285-K339 IonicContact OE1-NZ 3.68Å; E285-K339 PolarHBondContact OE1-NZ 3.19Å; E285-K339 IonicContact OE2-NZ 3.64Å; E285-K339 PolarHBondContact OE2-NZ 3.13Å; E285-H340 IonicContact OE1-CD2 3.16Å; E285-H340 IonicContact OE1-CE1 2.77Å; E285-H340 CovalentContact OE1-NE2 1.78Å; E285-H340 IonicContact OE1-NE2 3.39Å; E285-H340 PolarHBondContact OE1-NE2 2.84Å; E285-H340 IonicContact OE2-NE2 2.72Å
286L94.1Very high94.2Very high5 Ų534.2 Ų34.23%0.02618%0.176CC..Hα-helixtrans-68.9-46.4173.7-176.274.9000110.8E99 E100 F250 L282 P283 E284 A288 R290E99-L286 HydrophobicContact CB-CD1 4.46Å; E99-L286 HydrophobicContact CB-CD2 3.53Å; E99-L286 HydrophobicContact CG-CD2 3.68Å; E100-L286 HydrophobicContact CG-CD1 3.32Å; F250-L286 HydrophobicContact CD2-CD1 4.42Å; F250-L286 HydrophobicContact CD2-CD2 3.72Å; F250-L286 HydrophobicContact CD2-CG 4.05Å; F250-L286 HydrophobicContact CE1-CD1 4.25Å; F250-L286 HydrophobicContact CE2-CD1 3.82Å; F250-L286 HydrophobicContact CE2-CD2 3.96Å; F250-L286 HydrophobicContact CE2-CG 3.77Å; F250-L286 HydrophobicContact CG-CD2 4.02Å; F250-L286 HydrophobicContact CZ-CD1 3.71Å; F250-L286 HydrophobicContact CZ-CD2 4.44Å; F250-L286 HydrophobicContact CZ-CG 4.2Å; L282-L286 HydrophobicContact CB-CD2 4.42Å; P283-L286 HydrophobicContact CB-CB 4.05Å; P283-L286 WeakPolarHBondContact O-CA 3.48Å; P283-L286 VanDerWaalsContact O-CB 3.25Å; P283-L286 WeakPolarHBondContact O-CB 3.36Å; P283-L286 PolarHBondContact O-N 2.75Å; E284-L286 VanDerWaalsContact C-N 3.3Å; E284-L286 PolarHBondContact O-N 3Å; L286-A288 VanDerWaalsContact C-N 3.3Å; L286-A288 PolarHBondContact O-N 3.4Å; L286-R290 HydrophobicContact CD1-CB 4.32Å; L286-R290 HydrophobicContact CD1-CG 3.72Å; L286-R290 WeakPolarHBondContact O-CB 3.3Å; L286-R290 PolarHBondContact O-N 3.03Å
287I95.8Very high94.2Very high4 Ų437.2 Ų37.22%0.02119%0.19CC..Iπ-helixtrans-57-49.3173.2-56.5166.5000109.1V279 L282 P283 E284 L291 V292 L314 L332V279-I287 HydrophobicContact CG1-CD1 3.93Å; V279-I287 HydrophobicContact CG1-CG1 3.97Å; V279-I287 HydrophobicContact CG1-CG2 3.8Å; V279-I287 VanDerWaalsContact O-CD1 3.3Å; V279-I287 WeakPolarHBondContact O-CD1 3.21Å; L282-I287 HydrophobicContact CB-CD1 4.29Å; L282-I287 HydrophobicContact CB-CG1 3.9Å; L282-I287 WeakPolarHBondContact O-CD1 3.31Å; P283-I287 WeakPolarHBondContact O-CG1 3.46Å; P283-I287 PolarHBondContact O-N 2.68Å; E284-I287 PolarHBondContact O-N 2.99Å; I287-L291 WeakPolarHBondContact O-CA 3.35Å; I287-L291 WeakPolarHBondContact O-CB 3.23Å; I287-L291 PolarHBondContact O-N 3.23Å; I287-L291 VanDerWaalsContact O-N 3.12Å; I287-V292 PolarHBondContact O-N 3.45Å; I287-L314 HydrophobicContact CG2-CD1 4.46Å; I287-L332 HydrophobicContact CB-CD2 4.01Å; I287-L332 HydrophobicContact CG2-CD2 3.92Å
288A95.3Very high94.2Very high0 Ų034.7 Ų34.70%018%0.179CC..Iπ-helixtrans-68-41.9-173.600000113.6E284 E285 L286 V292 L332 L336 H340E284-A288 VanDerWaalsContact O-CB 3.31Å; E284-A288 WeakPolarHBondContact O-CB 3.43Å; E284-A288 PolarHBondContact O-N 3.07Å; E285-A288 PolarHBondContact O-N 3.26Å; L286-A288 VanDerWaalsContact C-N 3.3Å; L286-A288 PolarHBondContact O-N 3.4Å; A288-V292 WeakPolarHBondContact O-CB 3.26Å; A288-L332 HydrophobicContact CB-CD1 4.32Å; A288-L332 HydrophobicContact CB-CD2 3.9Å; A288-L336 HydrophobicContact CB-CB 4.05Å; A288-L336 HydrophobicContact CB-CD1 4.22Å; A288-H340 HydrophobicContact CB-CB 4.13Å; A288-H340 WeakPolarHBondContact CB-CD2 3.23Å; A288-H340 VanDerWaalsContact O-CB 3.3Å; A288-H340 WeakPolarHBondContact O-CB 3.5Å; A288-H340 VanDerWaalsContact O-CG 3.31Å; A288-H340 PolarHBondContact O-ND1 3.38Å
289S93.3Very high94.2Very high34 Ų3435.6 Ų35.624%0.23819%0.187CC..Iπ-helixtrans-85.5-41.2-177.761.10000113.7E285 P293 H340E285-S289 VanDerWaalsContact O-CB 3.28Å; E285-S289 WeakPolarHBondContact O-CB 3.42Å; E285-S289 PolarHBondContact O-N 3.08Å; E285-S289 PolarHBondContact O-OG 2.64Å; S289-P293 WeakPolarHBondContact O-CG 3.28Å; S289-H340 VanDerWaalsContact CA-CE1 3.49Å; S289-H340 WeakPolarHBondContact CA-CE1 3.41Å; S289-H340 WeakPolarHBondContact CB-CE1 3.38Å
290R94Very high94.3Very high9 Ų935.7 Ų35.73%0.03419%0.188CC..Iπ-helixtrans-99.5-34.9-171.1-55.1-58.6-63-76.1-2.4114E100 D136 G137 F250 L286 K294E100-R290 VanDerWaalsContact OE1-CD 3.23Å; E100-R290 WeakPolarHBondContact OE1-CD 3.31Å; E100-R290 WeakPolarHBondContact OE1-CG 3.3Å; E100-R290 IonicContact OE1-CZ 3.92Å; E100-R290 IonicContact OE1-NE 3.65Å; E100-R290 IonicContact OE1-NH1 3.23Å; E100-R290 PolarHBondContact OE1-NH1 3.34Å; D136-R290 VanDerWaalsContact O-CZ 3.29Å; D136-R290 PolarHBondContact O-NE 3.13Å; D136-R290 PolarHBondContact O-NH2 2.89Å; G137-R290 VanDerWaalsContact C-CZ 3.43Å; G137-R290 VanDerWaalsContact O-CZ 3.29Å; G137-R290 PolarHBondContact O-NH1 2.98Å; G137-R290 PolarHBondContact O-NH2 3.19Å; F250-R290 HydrophobicContact CE2-CB 3.72Å; F250-R290 HydrophobicContact CE2-CG 4.35Å; F250-R290 HydrophobicContact CZ-CB 3.72Å; F250-R290 HydrophobicContact CZ-CG 3.96Å; L286-R290 HydrophobicContact CD1-CB 4.32Å; L286-R290 HydrophobicContact CD1-CG 3.72Å; L286-R290 WeakPolarHBondContact O-CB 3.3Å; L286-R290 PolarHBondContact O-N 3.03Å; R290-K294 WeakPolarHBondContact O-CD 3.41Å; R290-K294 WeakPolarHBondContact O-CE 3.41Å
291L95.9Very high94.5Very high0 Ų031.9 Ų31.90%017%0.17CC..Iπ-helixtrans-97.5-44-174.1-60.1-176.1000113.4F250 I253 L254 V279 L282 I287 P293 K294 L295F250-L291 HydrophobicContact CD2-CD1 4.33Å; F250-L291 HydrophobicContact CD2-CD2 3.93Å; F250-L291 HydrophobicContact CD2-CG 4.22Å; F250-L291 HydrophobicContact CE2-CD2 3.73Å; F250-L291 HydrophobicContact CE2-CG 4.02Å; I253-L291 HydrophobicContact CG2-CD1 4.46Å; I253-L291 HydrophobicContact CG2-CD2 3.99Å; L254-L291 HydrophobicContact CD2-CD2 3.8Å; L254-L291 HydrophobicContact CG-CD2 4.2Å; V279-L291 HydrophobicContact CG1-CD1 4.49Å; V279-L291 HydrophobicContact CG2-CD1 4.38Å; L282-L291 HydrophobicContact CD1-CD1 3.65Å; I287-L291 WeakPolarHBondContact O-CA 3.35Å; I287-L291 WeakPolarHBondContact O-CB 3.23Å; I287-L291 PolarHBondContact O-N 3.23Å; I287-L291 VanDerWaalsContact O-N 3.12Å; L291-P293 VanDerWaalsContact C-CD 3.46Å; L291-P293 VanDerWaalsContact C-N 3.34Å; L291-K294 CarbonylContact O-C 3.59Å; L291-K294 WeakPolarHBondContact O-CA 3.5Å; L291-K294 PolarHBondContact O-N 2.81Å; L291-L295 HydrophobicContact CB-CD1 3.74Å; L291-L295 HydrophobicContact CB-CG 4.46Å; L291-L295 WeakPolarHBondContact O-CB 3.43Å; L291-L295 WeakPolarHBondContact O-CG 3.46Å; L291-L295 PolarHBondContact O-N 2.6Å
292V96.4Very high94.7Very high0 Ų029 Ų290%016%0.162CC..Hα-helixtrans-49-45.9178.5167.20000113.2I287 A288 K294 L295 L296 L314 L332 H340 V341 Q344I287-V292 PolarHBondContact O-N 3.45Å; A288-V292 WeakPolarHBondContact O-CB 3.26Å; V292-K294 PolarHBondContact O-N 3.22Å; V292-L295 PolarHBondContact O-N 2.76Å; V292-L296 HydrophobicContact CG1-CD1 3.75Å; V292-L296 HydrophobicContact CG1-CG 4.2Å; V292-L296 WeakPolarHBondContact O-CB 3.43Å; V292-L296 PolarHBondContact O-N 2.92Å; V292-L314 HydrophobicContact CG2-CD1 3.92Å; V292-L332 HydrophobicContact CG2-CD1 3.73Å; V292-H340 HydrophobicContact CG1-CB 4.49Å; V292-H340 WeakPolarHBondContact CG1-O 3.21Å; V292-V341 HydrophobicContact CG1-CG2 3.85Å; V292-V341 HydrophobicContact CG2-CG2 4.03Å; V292-Q344 HydrophobicContact CG1-CG 4.25Å
293P94.3Very high94.9Very high49 Ų4929.4 Ų29.432%0.31816%0.163SC..Hα-helixtrans-65.9-18.9179.5-20.833.9000114.6S289 L291S289-P293 WeakPolarHBondContact O-CG 3.28Å; L291-P293 VanDerWaalsContact C-CD 3.46Å; L291-P293 VanDerWaalsContact C-N 3.34Å
294K94.6Very high95Very high55 Ų5531.4 Ų31.424%0.23918%0.176CC..Hα-helixtrans-100.2-23.3-179.1-55.2177.5-161.3-81.50111.8H138 L254 L257 R290 L291 V292H138-K294 PolarHBondContact NE2-NZ 3.1Å; H138-K294 VanDerWaalsContact NE2-NZ 3.16Å; L254-K294 HydrophobicContact CD2-CD 3.45Å; L254-K294 VanDerWaalsContact CD2-CD 3.45Å; L257-K294 HydrophobicContact CD1-CB 4.13Å; R290-K294 WeakPolarHBondContact O-CD 3.41Å; R290-K294 WeakPolarHBondContact O-CE 3.41Å; L291-K294 CarbonylContact O-C 3.59Å; L291-K294 WeakPolarHBondContact O-CA 3.5Å; L291-K294 PolarHBondContact O-N 2.81Å; V292-K294 PolarHBondContact O-N 3.22Å
295L96.5Very high95.1Very high0 Ų031.4 Ų31.40%018%0.177CC..Hα-helixtrans-89.6-33177-68.2168.4000113L257 L275 L291 V292 H297 V300 F310 L314L257-L295 HydrophobicContact CD1-CD2 3.78Å; L257-L295 HydrophobicContact CD1-CG 4.2Å; L257-L295 HydrophobicContact CD2-CD2 4.21Å; L275-L295 HydrophobicContact CD2-CD2 3.8Å; L291-L295 HydrophobicContact CB-CD1 3.74Å; L291-L295 HydrophobicContact CB-CG 4.46Å; L291-L295 WeakPolarHBondContact O-CB 3.43Å; L291-L295 WeakPolarHBondContact O-CG 3.46Å; L291-L295 PolarHBondContact O-N 2.6Å; V292-L295 PolarHBondContact O-N 2.76Å; L295-H297 VanDerWaalsContact C-N 3.27Å; L295-H297 PolarHBondContact O-N 3.3Å; L295-V300 WeakPolarHBondContact O-CB 3.49Å; L295-V300 WeakPolarHBondContact O-CG1 3.25Å; L295-F310 HydrophobicContact CB-CE1 4.32Å; L295-F310 HydrophobicContact CD1-CE1 3.81Å; L295-F310 HydrophobicContact CD1-CZ 3.76Å; L295-F310 HydrophobicContact CD2-CE1 3.92Å; L295-F310 HydrophobicContact CD2-CZ 4.39Å; L295-F310 HydrophobicContact CG-CE1 4.25Å; L295-L314 HydrophobicContact CB-CD2 3.84Å; L295-L314 HydrophobicContact CD1-CD2 4.23Å
296L96.2Very high95.3Very high7 Ų727.4 Ų27.44%0.03716%0.158CC..SBendtrans-90.663.1172.1-60.4-174.6000110.4V292 F301 L311 L314 L315 V341 Q344 L348V292-L296 HydrophobicContact CG1-CD1 3.75Å; V292-L296 HydrophobicContact CG1-CG 4.2Å; V292-L296 WeakPolarHBondContact O-CB 3.43Å; V292-L296 PolarHBondContact O-N 2.92Å; L296-F301 HydrophobicContact CD2-CE1 3.86Å; L296-F301 HydrophobicContact CD2-CZ 4.13Å; L296-L311 HydrophobicContact CD2-CD2 4.05Å; L296-L314 HydrophobicContact CD2-CD2 3.82Å; L296-L314 HydrophobicContact CG-CD2 4.03Å; L296-L315 HydrophobicContact CD2-CD2 4.04Å; L296-V341 HydrophobicContact CD1-CB 4.22Å; L296-V341 HydrophobicContact CD1-CG1 3.77Å; L296-V341 HydrophobicContact CD1-CG2 4.17Å; L296-Q344 HydrophobicContact CB-CB 4.16Å; L296-Q344 HydrophobicContact CD1-CB 4.14Å; L296-L348 HydrophobicContact CB-CD1 4.07Å
297H93.6Very high95.4Very high85 Ų8528.4 Ų28.439%0.39416%0.164SC..SBendtrans-130.6151.6-177-173.4-94.2000110.8L295 L299 V300 F301L295-H297 VanDerWaalsContact C-N 3.27Å; L295-H297 PolarHBondContact O-N 3.3Å; H297-L299 VanDerWaalsContact C-N 3.34Å; H297-L299 PolarHBondContact ND1-N 2.88Å; H297-L299 PolarHBondContact O-N 2.69Å; H297-V300 PolarHBondContact O-N 3.19Å; H297-F301 PolarHBondContact O-N 3.42Å; H297-F301 VanDerWaalsContact O-N 3.13Å
298S94Very high95.3Very high29 Ų2936.2 Ų36.220%0.20320%0.198CC..Hα-helixtrans-50.3-50.6-176.655.30000112.8V300 F301 A302 I356S298-V300 PolarHBondContact O-N 2.9Å; S298-V300 VanDerWaalsContact O-N 3.07Å; S298-F301 CarbonylContact O-C 3.59Å; S298-F301 WeakPolarHBondContact O-CA 3.1Å; S298-F301 WeakPolarHBondContact O-CB 3.01Å; S298-F301 PolarHBondContact O-N 3Å; S298-A302 PolarHBondContact O-N 3.23Å; S298-I356 VanDerWaalsContact CB-CD1 3.46Å
299L95Very high95.1Very high76 Ų7637.9 Ų37.940%0.39821%0.21SC..Hα-helixtrans-58.2-22178-63175.6000114.8L260 T261 H297 E303L260-L299 HydrophobicContact CD2-CB 4.06Å; T261-L299 HydrophobicContact CG2-CD1 3.84Å; T261-L299 HydrophobicContact CG2-CD2 4.26Å; H297-L299 VanDerWaalsContact C-N 3.34Å; H297-L299 PolarHBondContact ND1-N 2.88Å; H297-L299 PolarHBondContact O-N 2.69Å; L299-E303 VanDerWaalsContact O-CG 3.3Å; L299-E303 WeakPolarHBondContact O-CG 3.44Å
300V96.3Very high95.2Very high2 Ų236.3 Ų36.31%0.01220%0.199CC..Hα-helixtrans-90.2-30.8174.7-179.10000110.7L257 L260 F272 L295 H297 S298 A302 E303 A306L257-V300 HydrophobicContact CD2-CG2 4.16Å; L260-V300 HydrophobicContact CD2-CG2 4.1Å; F272-V300 HydrophobicContact CE1-CG1 3.83Å; F272-V300 HydrophobicContact CZ-CG1 4.05Å; F272-V300 HydrophobicContact CZ-CG2 4.35Å; L295-V300 WeakPolarHBondContact O-CB 3.49Å; L295-V300 WeakPolarHBondContact O-CG1 3.25Å; H297-V300 PolarHBondContact O-N 3.19Å; S298-V300 PolarHBondContact O-N 2.9Å; S298-V300 VanDerWaalsContact O-N 3.07Å; V300-A302 PolarHBondContact O-N 3.29Å; V300-E303 PolarHBondContact O-N 3.18Å; V300-A306 HydrophobicContact CG1-CB 3.75Å; V300-A306 WeakPolarHBondContact O-CB 3.46Å
301F96.1Very high95.3Very high4 Ų435.9 Ų35.92%0.01820%0.197CC..Hα-helixtrans-71.1-20.3173.9-8244.2000112.1L296 H297 S298 E303 V307 L311 L348 I356 V359 L360L296-F301 HydrophobicContact CD2-CE1 3.86Å; L296-F301 HydrophobicContact CD2-CZ 4.13Å; H297-F301 PolarHBondContact O-N 3.42Å; H297-F301 VanDerWaalsContact O-N 3.13Å; S298-F301 CarbonylContact O-C 3.59Å; S298-F301 WeakPolarHBondContact O-CA 3.1Å; S298-F301 WeakPolarHBondContact O-CB 3.01Å; S298-F301 PolarHBondContact O-N 3Å; F301-E303 VanDerWaalsContact C-N 3.31Å; F301-V307 WeakPolarHBondContact O-CG2 3.28Å; F301-L311 HydrophobicContact CD1-CD1 3.75Å; F301-L311 HydrophobicContact CE1-CD1 3.58Å; F301-L311 HydrophobicContact CE1-CD2 3.95Å; F301-L311 HydrophobicContact CE1-CG 4.46Å; F301-L311 HydrophobicContact CE2-CD1 4.46Å; F301-L311 HydrophobicContact CG-CD1 4.25Å; F301-L311 HydrophobicContact CZ-CD1 3.97Å; F301-L348 HydrophobicContact CE1-CD1 4.08Å; F301-L348 HydrophobicContact CE2-CD1 4.02Å; F301-L348 HydrophobicContact CZ-CD1 3.66Å; F301-I356 HydrophobicContact CB-CG1 4.39Å; F301-I356 HydrophobicContact CD2-CG2 3.94Å; F301-I356 HydrophobicContact CE2-CG2 4.46Å; F301-V359 HydrophobicContact CD2-CB 3.76Å; F301-V359 HydrophobicContact CD2-CG1 3.44Å; F301-V359 VanDerWaalsContact CD2-CG1 3.44Å; F301-V359 HydrophobicContact CE2-CB 4.26Å; F301-V359 HydrophobicContact CE2-CG1 3.64Å; F301-V359 HydrophobicContact CG-CB 4.49Å; F301-V359 HydrophobicContact CG-CG1 4.05Å; F301-V359 HydrophobicContact CZ-CG1 4.39Å; F301-L360 HydrophobicContact CE2-CD2 3.88Å; F301-L360 HydrophobicContact CE2-CG 4.06Å
302A95.2Very high95.2Very high52 Ų5237.2 Ų37.243%0.4321%0.206SC..THydrogen-bonded Turntrans-74.7-14.3170.700000114.1S298 V300 P304S298-A302 PolarHBondContact O-N 3.23Å; V300-A302 PolarHBondContact O-N 3.29Å; A302-P304 WeakPolarHBondContact O-CD 3.44Å
303E96.6Very high95Very high22 Ų2239.4 Ų39.410%0.10322%0.216CC..  trans-96.5110.1-170.3-63.1-70.4168.600111.1K268 F272 L299 V300 F301 M305 A306 V307K268-E303 WeakPolarHBondContact CD-OE1 3.4Å; K268-E303 WeakPolarHBondContact CE-OE1 3.3Å; K268-E303 IonicContact NZ-OE1 3.41Å; K268-E303 PolarHBondContact NZ-OE1 3.22Å; F272-E303 HydrophobicContact CD2-CB 4.04Å; F272-E303 HydrophobicContact CD2-CG 4.38Å; F272-E303 HydrophobicContact CE2-CB 3.81Å; F272-E303 HydrophobicContact CE2-CG 3.71Å; F272-E303 HydrophobicContact CZ-CB 4.5Å; F272-E303 HydrophobicContact CZ-CG 4.36Å; L299-E303 VanDerWaalsContact O-CG 3.3Å; L299-E303 WeakPolarHBondContact O-CG 3.44Å; V300-E303 PolarHBondContact O-N 3.18Å; F301-E303 VanDerWaalsContact C-N 3.31Å; E303-M305 VanDerWaalsContact C-N 3.26Å; E303-M305 PolarHBondContact O-N 2.88Å; E303-M305 VanDerWaalsContact O-N 3.13Å; E303-A306 HydrophobicContact CB-CB 3.96Å; E303-A306 WeakPolarHBondContact O-CB 3.43Å; E303-A306 PolarHBondContact O-N 3.47Å; E303-V307 PolarHBondContact O-N 3.31Å; E303-V307 VanDerWaalsContact O-N 3.11Å
304P95.2Very high95.1Very high95 Ų9537 Ų3762%0.61720%0.201SC*.Hα-helixtrans-60.8-32.1-169.4-26.235.7000114.2A302 K308A302-P304 WeakPolarHBondContact O-CD 3.44Å; P304-K308 WeakPolarHBondContact O-CB 3.14Å; P304-K308 PolarHBondContact O-N 2.88Å
305M96.3Very high95.1Very high48 Ų4834.5 Ų34.524%0.23619%0.189CC..Hα-helixtrans-71.4-35.3176.4-167.566.966.800112.3N269 F272 K273 E303 S309N269-M305 HydrophobicContact CB-CE 4.32Å; F272-M305 HydrophobicContact CB-CB 3.9Å; F272-M305 HydrophobicContact CB-CG 3.85Å; K273-M305 HydrophobicContact CB-CG 4.1Å; K273-M305 HydrophobicContact CB-SD 4.15Å; E303-M305 VanDerWaalsContact C-N 3.26Å; E303-M305 PolarHBondContact O-N 2.88Å; E303-M305 VanDerWaalsContact O-N 3.13Å; M305-S309 VanDerWaalsContact O-CB 3.25Å; M305-S309 WeakPolarHBondContact O-CB 3.28Å; M305-S309 PolarHBondContact O-N 1.78Å; M305-S309 PolarHBondContact O-OG 2.86Å; M305-S309 PolarHBondContact SD-OG 3.13Å
306A96.7Very high94.9Very high0 Ų040 Ų400%021%0.21CC..Hα-helixtrans-65.3-47.6174.900000110.4F272 V300 E303 K308 F310 L311F272-A306 HydrophobicContact CB-CB 4.22Å; F272-A306 HydrophobicContact CD1-CB 3.5Å; F272-A306 HydrophobicContact CD2-CB 4.1Å; F272-A306 HydrophobicContact CE1-CB 3.8Å; F272-A306 HydrophobicContact CE2-CB 4.37Å; F272-A306 HydrophobicContact CG-CB 3.68Å; F272-A306 HydrophobicContact CZ-CB 4.23Å; V300-A306 HydrophobicContact CG1-CB 3.75Å; V300-A306 WeakPolarHBondContact O-CB 3.46Å; E303-A306 HydrophobicContact CB-CB 3.96Å; E303-A306 WeakPolarHBondContact O-CB 3.43Å; E303-A306 PolarHBondContact O-N 3.47Å; A306-K308 VanDerWaalsContact C-N 3.35Å; A306-K308 PolarHBondContact O-N 2.98Å; A306-F310 PolarHBondContact O-N 3.46Å; A306-L311 PolarHBondContact O-N 2.93Å
307V95.6Very high94.7Very high26 Ų2640 Ų4016%0.15821%0.211CC..Hα-helixtrans-58.3-44.6177.3175.40000111.8F301 E303 L311 P312 V359 H363F301-V307 WeakPolarHBondContact O-CG2 3.28Å; E303-V307 PolarHBondContact O-N 3.31Å; E303-V307 VanDerWaalsContact O-N 3.11Å; V307-L311 HydrophobicContact CG2-CD1 4.13Å; V307-P312 WeakPolarHBondContact O-CD 3.42Å; V307-V359 HydrophobicContact CB-CG2 4.47Å; V307-V359 HydrophobicContact CG1-CG1 4.18Å; V307-V359 HydrophobicContact CG1-CG2 3.94Å; V307-V359 HydrophobicContact CG2-CG1 4.07Å; V307-V359 HydrophobicContact CG2-CG2 3.63Å; V307-H363 PolarHBondContact O-NE2 3.28Å
308K93.3Very high94.4Very high168 Ų16839.7 Ų39.773%0.7321%0.208SC*.Hα-helixtrans-77.9-44-177-174.4179.6177-176.10113.9P304 A306P304-K308 WeakPolarHBondContact O-CB 3.14Å; P304-K308 PolarHBondContact O-N 2.88Å; A306-K308 VanDerWaalsContact C-N 3.35Å; A306-K308 PolarHBondContact O-N 2.98Å
309S91.9Very high93.7Very high35 Ų3545.4 Ų45.425%0.24523%0.229CC..Hα-helixtrans-112.1-8-161.4-490000114.2M305M305-S309 VanDerWaalsContact O-CB 3.25Å; M305-S309 WeakPolarHBondContact O-CB 3.28Å; M305-S309 PolarHBondContact O-N 1.78Å; M305-S309 PolarHBondContact O-OG 2.86Å; M305-S309 PolarHBondContact SD-OG 3.13Å
310F95.3Very high92.2Very high0 Ų049 Ų490%025%0.249CC..THydrogen-bonded Turntrans-131.9-48.9-175.4-178.1-100.5000114L275 L276 V279 L295 A306 P312 H313 L314 L331L275-F310 HydrophobicContact CB-CD2 4.02Å; L275-F310 HydrophobicContact CB-CE2 4.37Å; L275-F310 HydrophobicContact CB-CG 4.5Å; L275-F310 HydrophobicContact CD2-CD1 3.86Å; L275-F310 HydrophobicContact CD2-CD2 3.88Å; L275-F310 HydrophobicContact CD2-CE1 3.88Å; L275-F310 HydrophobicContact CD2-CE2 3.9Å; L275-F310 HydrophobicContact CD2-CG 3.86Å; L275-F310 HydrophobicContact CD2-CZ 3.91Å; L275-F310 HydrophobicContact CG-CD2 3.81Å; L275-F310 HydrophobicContact CG-CE2 3.71Å; L275-F310 HydrophobicContact CG-CG 4.3Å; L275-F310 HydrophobicContact CG-CZ 4.13Å; L276-F310 HydrophobicContact CB-CD2 4.25Å; V279-F310 HydrophobicContact CB-CE2 4.29Å; V279-F310 HydrophobicContact CG2-CE2 4.14Å; V279-F310 HydrophobicContact CG2-CZ 4.28Å; L295-F310 HydrophobicContact CB-CE1 4.32Å; L295-F310 HydrophobicContact CD1-CE1 3.81Å; L295-F310 HydrophobicContact CD1-CZ 3.76Å; L295-F310 HydrophobicContact CD2-CE1 3.92Å; L295-F310 HydrophobicContact CD2-CZ 4.39Å; L295-F310 HydrophobicContact CG-CE1 4.25Å; A306-F310 PolarHBondContact O-N 3.46Å; F310-P312 VanDerWaalsContact C-N 3.34Å; F310-H313 WeakPolarHBondContact O-CB 3.34Å; F310-H313 PolarHBondContact O-N 2.92Å; F310-L314 HydrophobicContact CE1-CB 4.27Å; F310-L314 HydrophobicContact CE1-CD2 3.93Å; F310-L314 HydrophobicContact CZ-CD2 4.44Å; F310-L314 PolarHBondContact O-N 3.02Å; F310-L331 HydrophobicContact CE2-CD1 3.77Å; F310-L331 HydrophobicContact CZ-CD1 3.84Å
311L95.5Very high90.1Very high0 Ų051.7 Ų51.70%027%0.268CS..Hα-helixtrans-55.5-37.1-179.3-67.2-172.4000114.4L296 F301 A306 V307 H313 L314 L315 V359L296-L311 HydrophobicContact CD2-CD2 4.05Å; F301-L311 HydrophobicContact CD1-CD1 3.75Å; F301-L311 HydrophobicContact CE1-CD1 3.58Å; F301-L311 HydrophobicContact CE1-CD2 3.95Å; F301-L311 HydrophobicContact CE1-CG 4.46Å; F301-L311 HydrophobicContact CE2-CD1 4.46Å; F301-L311 HydrophobicContact CG-CD1 4.25Å; F301-L311 HydrophobicContact CZ-CD1 3.97Å; A306-L311 PolarHBondContact O-N 2.93Å; V307-L311 HydrophobicContact CG2-CD1 4.13Å; L311-H313 PolarHBondContact O-N 3.28Å; L311-H313 VanDerWaalsContact O-N 3.14Å; L311-L314 PolarHBondContact O-N 2.89Å; L311-L315 HydrophobicContact CB-CD1 4.14Å; L311-L315 VanDerWaalsContact O-CB 3.29Å; L311-L315 WeakPolarHBondContact O-CB 3.49Å; L311-L315 WeakPolarHBondContact O-CG 3.13Å; L311-L315 PolarHBondContact O-N 3.44Å; L311-V359 HydrophobicContact CD1-CG1 3.79Å
312P93.8Very high88Confident28 Ų2857.7 Ų57.718%0.18231%0.31CS..Hα-helixtrans-58.8-27176.2-26.136.3000114.3V307 F310 R316 I366V307-P312 WeakPolarHBondContact O-CD 3.42Å; F310-P312 VanDerWaalsContact C-N 3.34Å; P312-R316 WeakPolarHBondContact O-CB 3.43Å; P312-R316 PolarHBondContact O-N 3.03Å; P312-I366 HydrophobicContact CB-CD1 4.23Å
313H93.4Very high85.9Confident46 Ų4662.8 Ų62.821%0.21333%0.326CS..Hα-helixtrans-87.5-25-178.1-60.7-94.1000113.1L276 F310 L311 D329 L331L276-H313 HydrophobicContact CD1-CB 3.67Å; L276-H313 HydrophobicContact CD2-CB 4.44Å; L276-H313 WeakPolarHBondContact CD2-ND1 3.46Å; F310-H313 WeakPolarHBondContact O-CB 3.34Å; F310-H313 PolarHBondContact O-N 2.92Å; L311-H313 PolarHBondContact O-N 3.28Å; L311-H313 VanDerWaalsContact O-N 3.14Å; H313-D329 WeakPolarHBondContact CB-O 3.35Å; H313-D329 IonicContact CE1-OD2 3.94Å; H313-D329 WeakPolarHBondContact ND1-CB 3.47Å; H313-D329 PolarHBondContact ND1-O 3.15Å; H313-L331 PolarHBondContact O-N 3.3Å; H313-L331 VanDerWaalsContact O-N 3.09Å
314L95.3Very high83.7Confident0 Ų069.2 Ų69.20%036%0.36CS..Hα-helixtrans-88.5-34.3175.2-167.965.8000112.5I287 V292 L295 L296 F310 L311 L331 L332I287-L314 HydrophobicContact CG2-CD1 4.46Å; V292-L314 HydrophobicContact CG2-CD1 3.92Å; L295-L314 HydrophobicContact CB-CD2 3.84Å; L295-L314 HydrophobicContact CD1-CD2 4.23Å; L296-L314 HydrophobicContact CD2-CD2 3.82Å; L296-L314 HydrophobicContact CG-CD2 4.03Å; F310-L314 HydrophobicContact CE1-CB 4.27Å; F310-L314 HydrophobicContact CE1-CD2 3.93Å; F310-L314 HydrophobicContact CZ-CD2 4.44Å; F310-L314 PolarHBondContact O-N 3.02Å; L311-L314 PolarHBondContact O-N 2.89Å; L314-L331 HydrophobicContact CB-CD1 4.31Å; L314-L331 HydrophobicContact CD1-CB 4.38Å; L314-L331 HydrophobicContact CD1-CD1 3.83Å; L314-L332 HydrophobicContact CD1-CD1 4.22Å
315L95.1Very high81.3Confident1 Ų171.6 Ų71.61%0.00537%0.368CS..SBendtrans-83.2-9.8178.8-62.2175.6000113.4L296 L311 H337 V341 L345 H363 Y367L296-L315 HydrophobicContact CD2-CD2 4.04Å; L311-L315 HydrophobicContact CB-CD1 4.14Å; L311-L315 VanDerWaalsContact O-CB 3.29Å; L311-L315 WeakPolarHBondContact O-CB 3.49Å; L311-L315 WeakPolarHBondContact O-CG 3.13Å; L311-L315 PolarHBondContact O-N 3.44Å; L315-H337 PolarHBondContact O-NE2 2.82Å; L315-V341 HydrophobicContact CD2-CG1 4.2Å; L315-L345 HydrophobicContact CD2-CD1 4.08Å; L315-L345 HydrophobicContact CD2-CD2 3.79Å; L315-L345 HydrophobicContact CD2-CG 4.37Å; L315-H363 HydrophobicContact CD1-CB 3.8Å; L315-Y367 HydrophobicContact CB-CD1 4.24Å; L315-Y367 HydrophobicContact CD1-CD1 4.24Å; L315-Y367 HydrophobicContact CD1-CE1 4.33Å; L315-Y367 HydrophobicContact CD2-CD1 4.45Å
316R92.3Very high79.1Confident115 Ų11572.6 Ų72.643%0.43439%0.39SS..SBendtrans-104.1118173.2-172.7174-68.1-176.70.7109.6P312 I366P312-R316 WeakPolarHBondContact O-CB 3.43Å; P312-R316 PolarHBondContact O-N 3.03Å; R316-I366 HydrophobicContact CB-CG2 3.59Å; R316-I366 HydrophobicContact CG-CG2 4.16Å
317P91.3Very high77.1Confident7 Ų775.2 Ų75.25%0.04541%0.409CS..EExtended strand (participates in β ladder)trans-71.9147.717128.2-31.7000111.6K319 L332 V334 H337 F370P317-K319 PolarHBondContact O-N 2.55Å; P317-L332 CarbonylContact C-O 3.41Å; P317-L332 WeakPolarHBondContact CA-O 3.4Å; P317-V334 HydrophobicContact CB-CG2 4.1Å; P317-V334 HydrophobicContact CG-CG2 4.4Å; P317-H337 HydrophobicContact CB-CB 3.83Å; P317-F370 VanDerWaalsContact CD-CE2 3.43Å; P317-F370 HydrophobicContact CG-CD1 4.09Å; P317-F370 HydrophobicContact CG-CD2 3.88Å; P317-F370 HydrophobicContact CG-CE1 3.63Å; P317-F370 HydrophobicContact CG-CE2 3.4Å; P317-F370 VanDerWaalsContact CG-CE2 3.4Å; P317-F370 HydrophobicContact CG-CG 4.22Å; P317-F370 HydrophobicContact CG-CZ 3.28Å
318K88.7Confident75.3Confident80 Ų8081.5 Ų81.535%0.34844%0.436SS..EExtended strand (participates in β ladder)trans-51.6131.6163.1-65.2173-178.7165.40108.7E284 C330 L331 L332 V334E284-K318 IonicContact OE2-NZ 3.84Å; E284-K318 PolarHBondContact OE2-NZ 3.4Å; K318-C330 HydrophobicContact CB-CB 4.43Å; K318-C330 WeakPolarHBondContact CE-O 3.36Å; K318-C330 HydrophobicContact CG-CB 3.82Å; K318-C330 WeakPolarHBondContact CG-O 3.44Å; K318-L331 VanDerWaalsContact CE-C 3.46Å; K318-L331 WeakPolarHBondContact CE-O 3.49Å; K318-L331 PolarHBondContact NZ-O 2.92Å; K318-L332 PolarHBondContact N-O 3.42Å; K318-V334 WeakPolarHBondContact O-CG2 3.34Å
319K79.4Confident74.3Confident148 Ų14877.3 Ų77.364%0.64342%0.422SS*.PPolyproline II helixtrans-102.3126.9-179-167.7172.3-172.6165.80109.6P317 S321P317-K319 PolarHBondContact O-N 2.55Å; K319-S321 PolarHBondContact O-N 3.49Å
320D62.7Low74.1Confident151 Ų15176.3 Ų76.381%0.80742%0.415SS*.  trans-74.555.1178.6-57.2-52.7000112.2
321S52.3Low73.9Confident60 Ų6076.5 Ų76.542%0.4242%0.416SS..  trans-111115.3178.742.30000110.7K319 Q323K319-S321 PolarHBondContact O-N 3.49Å; S321-Q323 PolarHBondContact O-N 3.16Å
322S51.8Low73.8Confident129 Ų12976.6 Ų76.690%0.90242%0.416SS*.  trans-75.542.8175.566.70000113
323Q51.3Low73.8Confident160 Ų16076.3 Ų76.375%0.74842%0.415SS*.SBendtrans-130.1122.4168.6-76.2-166.5-100.700108.5S321 D325S321-Q323 PolarHBondContact O-N 3.16Å; Q323-D325 PolarHBondContact O-N 2.8Å; Q323-D325 VanDerWaalsContact O-N 3.09Å
324D49.8Very low73.7Confident156 Ų15675.9 Ų75.983%0.83442%0.415SS*.  trans-71.688.8178.6-174.819.9000109.4
325D45.2Very low73.6Confident146 Ų14679.8 Ų79.878%0.78144%0.443SS*.SBendtrans-145.357-172.4-152.615.5000111.1Q323 S327Q323-D325 PolarHBondContact O-N 2.8Å; Q323-D325 VanDerWaalsContact O-N 3.09Å; D325-S327 PolarHBondContact O-N 3.13Å
326G51.2Low73.6Confident68 Ų6880.7 Ų80.770%0.70145%0.448SS*.SBendtrans72.222.9161.200000117.9
327S53.7Low73.7Confident55 Ų5575.2 Ų75.239%0.38543%0.427SS..  trans-95.826.617775.20000114.2D325 D329 C330D325-S327 PolarHBondContact O-N 3.13Å; S327-D329 PolarHBondContact O-N 3.28Å; S327-C330 PolarHBondContact O-SG 2.88Å
328E58.5Low73.9Confident159 Ų15981 Ų8174%0.74345%0.448SS*.THydrogen-bonded Turntrans-62.8-44.5-158.5-56.4-159.397.400113.7C330E328-C330 PolarHBondContact O-N 3.06Å
329D71.9Confident74.2Confident79 Ų7982.5 Ų82.542%0.42245%0.454SS..THydrogen-bonded Turntrans-99.536.2-168-31.8-59.3000114.4L276 H313 S327L276-D329 HydrophobicContact CD2-CB 3.95Å; H313-D329 WeakPolarHBondContact CB-O 3.35Å; H313-D329 IonicContact CE1-OD2 3.94Å; H313-D329 WeakPolarHBondContact ND1-CB 3.47Å; H313-D329 PolarHBondContact ND1-O 3.15Å; S327-D329 PolarHBondContact O-N 3.28Å
330C86.9Confident75Confident14 Ų1477.6 Ų77.610%0.09543%0.434CS..  trans-85.5134.8175.6-58.90000110.5K318 S327 E328K318-C330 HydrophobicContact CB-CB 4.43Å; K318-C330 WeakPolarHBondContact CE-O 3.36Å; K318-C330 HydrophobicContact CG-CB 3.82Å; K318-C330 WeakPolarHBondContact CG-O 3.44Å; S327-C330 PolarHBondContact O-SG 2.88Å; E328-C330 PolarHBondContact O-N 3.06Å
331L90.9Very high76.6Confident5 Ų570.4 Ų70.43%0.02640%0.395CS..  trans-84.7-37.2-168.3-71.8174.9000115.8L276 V279 Q280 F310 H313 L314 K318L276-L331 HydrophobicContact CD1-CD1 4.26Å; L276-L331 HydrophobicContact CD1-CD2 3.98Å; L276-L331 HydrophobicContact CD1-CG 4.11Å; V279-L331 HydrophobicContact CB-CD2 4.44Å; V279-L331 HydrophobicContact CG1-CD1 3.81Å; V279-L331 HydrophobicContact CG1-CD2 3.91Å; V279-L331 HydrophobicContact CG1-CG 4.48Å; Q280-L331 HydrophobicContact CB-CD2 4.06Å; F310-L331 HydrophobicContact CE2-CD1 3.77Å; F310-L331 HydrophobicContact CZ-CD1 3.84Å; H313-L331 PolarHBondContact O-N 3.3Å; H313-L331 VanDerWaalsContact O-N 3.09Å; L314-L331 HydrophobicContact CB-CD1 4.31Å; L314-L331 HydrophobicContact CD1-CB 4.38Å; L314-L331 HydrophobicContact CD1-CD1 3.83Å; K318-L331 VanDerWaalsContact CE-C 3.46Å; K318-L331 WeakPolarHBondContact CE-O 3.49Å; K318-L331 PolarHBondContact NZ-O 2.92Å
332L93.8Very high78.8Confident1 Ų167.8 Ų67.81%0.00538%0.376CS..EExtended strand (participates in β ladder)trans-127.3141.3-168.1-58.8177.9000112.9E284 I287 A288 V292 L314 P317 K318 H337 V341E284-L332 HydrophobicContact CG-CD2 3.68Å; I287-L332 HydrophobicContact CB-CD2 4.01Å; I287-L332 HydrophobicContact CG2-CD2 3.92Å; A288-L332 HydrophobicContact CB-CD1 4.32Å; A288-L332 HydrophobicContact CB-CD2 3.9Å; V292-L332 HydrophobicContact CG2-CD1 3.73Å; L314-L332 HydrophobicContact CD1-CD1 4.22Å; P317-L332 CarbonylContact C-O 3.41Å; P317-L332 WeakPolarHBondContact CA-O 3.4Å; K318-L332 PolarHBondContact N-O 3.42Å; L332-H337 HydrophobicContact CB-CB 4.37Å; L332-V341 HydrophobicContact CD1-CG2 3.73Å
333S93.1Very high80.9Confident23 Ų2364 Ų6416%0.16135%0.349CS..EExtended strand (participates in β ladder)trans-62158168.859.10000112.8E284 S335 L336 H337E284-S333 VanDerWaalsContact CD-N 3.31Å; E284-S333 WeakPolarHBondContact OE1-CB 3.37Å; E284-S333 PolarHBondContact OE1-N 3.39Å; E284-S333 PolarHBondContact OE1-OG 2.96Å; S333-S335 PolarHBondContact O-N 3.36Å; S333-S335 VanDerWaalsContact O-N 3.15Å; S333-S335 PolarHBondContact OG-OG 3.42Å; S333-L336 PolarHBondContact O-N 3.07Å; S333-H337 VanDerWaalsContact O-CB 3.28Å; S333-H337 WeakPolarHBondContact O-CB 3.33Å; S333-H337 PolarHBondContact O-N 2.88Å
334V92.9Very high83.1Confident36 Ų3658.1 Ų58.122%0.21832%0.322CS..Hα-helixtrans-56.5-33.3-178.7-1740000112.6P317 K318 R338 F370P317-V334 HydrophobicContact CB-CG2 4.1Å; P317-V334 HydrophobicContact CG-CG2 4.4Å; K318-V334 WeakPolarHBondContact O-CG2 3.34Å; V334-R338 WeakPolarHBondContact O-CB 3.5Å; V334-R338 WeakPolarHBondContact O-CG 3.38Å; V334-R338 PolarHBondContact O-N 3.43Å; V334-R338 VanDerWaalsContact O-N 3.09Å; V334-F370 HydrophobicContact CG1-CD1 4.07Å; V334-F370 HydrophobicContact CG1-CE1 4.21Å
335S93.3Very high85.3Confident82 Ų8250.7 Ų50.757%0.57328%0.282SS*.Hα-helixtrans-68.9-50.7176.746.60000112.2S333 R338 K339S333-S335 PolarHBondContact O-N 3.36Å; S333-S335 VanDerWaalsContact O-N 3.15Å; S333-S335 PolarHBondContact OG-OG 3.42Å; S335-R338 PolarHBondContact O-N 2.92Å; S335-K339 WeakPolarHBondContact O-CB 3.42Å; S335-K339 PolarHBondContact O-N 2.75Å
336L94.5Very high87.8Confident21 Ų2144.8 Ų44.811%0.1125%0.25CS..Hα-helixtrans-71.7-34.7-180-63.7-168.6000112.4E284 E285 A288 S333 K339 H340E284-L336 HydrophobicContact CB-CD1 4.26Å; E284-L336 HydrophobicContact CG-CD1 4Å; E285-L336 HydrophobicContact CB-CD1 4.24Å; E285-L336 VanDerWaalsContact OE2-CD2 3.23Å; E285-L336 WeakPolarHBondContact OE2-CD2 3.29Å; A288-L336 HydrophobicContact CB-CB 4.05Å; A288-L336 HydrophobicContact CB-CD1 4.22Å; S333-L336 PolarHBondContact O-N 3.07Å; L336-K339 HydrophobicContact CD2-CD 3.94Å; L336-K339 PolarHBondContact O-N 3.42Å; L336-H340 WeakPolarHBondContact O-CB 3.14Å; L336-H340 PolarHBondContact O-N 3.5Å
337H95Very high90Very high0 Ų047.1 Ų47.10%024%0.241CC..Iπ-helixtrans-58.6-46.8169.6179.8-90.7000111.7L315 P317 L332 S333 V341 I342 F370L315-H337 PolarHBondContact O-NE2 2.82Å; P317-H337 HydrophobicContact CB-CB 3.83Å; L332-H337 HydrophobicContact CB-CB 4.37Å; S333-H337 VanDerWaalsContact O-CB 3.28Å; S333-H337 WeakPolarHBondContact O-CB 3.33Å; S333-H337 PolarHBondContact O-N 2.88Å; H337-V341 WeakPolarHBondContact NE2-CG1 3.38Å; H337-V341 WeakPolarHBondContact O-CA 3.45Å; H337-V341 VanDerWaalsContact O-CB 3.31Å; H337-V341 WeakPolarHBondContact O-CB 3.49Å; H337-V341 PolarHBondContact O-N 3.42Å; H337-I342 PolarHBondContact O-N 3.48Å; H337-F370 AromaticContact CE1-CD2 3.83Å
338R94.8Very high92Very high128 Ų12845.1 Ų45.148%0.48323%0.226SC..Iπ-helixtrans-66.6-37174.9-81.6-178.6165.1148.51.4113.5V334 S335 I342 F370V334-R338 WeakPolarHBondContact O-CB 3.5Å; V334-R338 WeakPolarHBondContact O-CG 3.38Å; V334-R338 PolarHBondContact O-N 3.43Å; V334-R338 VanDerWaalsContact O-N 3.09Å; S335-R338 PolarHBondContact O-N 2.92Å; R338-I342 HydrophobicContact CG-CG1 4.43Å; R338-F370 HydrophobicContact CG-CB 4.42Å; R338-F370 PolarHBondContact NE-O 2.89Å; R338-F370 PolarHBondContact NH2-O 3.19Å
339K95.6Very high93.9Very high111 Ų11137.6 Ų37.648%0.48319%0.191SC..Iπ-helixtrans-68-39.6178.6-178.5-175.8170.2-165.70112.6E285 S335 L336E285-K339 VanDerWaalsContact CD-NZ 3.29Å; E285-K339 IonicContact OE1-NZ 3.68Å; E285-K339 PolarHBondContact OE1-NZ 3.19Å; E285-K339 IonicContact OE2-NZ 3.64Å; E285-K339 PolarHBondContact OE2-NZ 3.13Å; S335-K339 WeakPolarHBondContact O-CB 3.42Å; S335-K339 PolarHBondContact O-N 2.75Å; L336-K339 HydrophobicContact CD2-CD 3.94Å; L336-K339 PolarHBondContact O-N 3.42Å
340H95.8Very high95Very high45 Ų4539.5 Ų39.521%0.20820%0.197CC..Iπ-helixtrans-122.4-32.7-165.7-65.8-77.6000115.6E285 A288 S289 V292 L336 Q344E285-H340 IonicContact OE1-CD2 3.16Å; E285-H340 IonicContact OE1-CE1 2.77Å; E285-H340 CovalentContact OE1-NE2 1.78Å; E285-H340 IonicContact OE1-NE2 3.39Å; E285-H340 PolarHBondContact OE1-NE2 2.84Å; E285-H340 IonicContact OE2-NE2 2.72Å; A288-H340 HydrophobicContact CB-CB 4.13Å; A288-H340 WeakPolarHBondContact CB-CD2 3.23Å; A288-H340 VanDerWaalsContact O-CB 3.3Å; A288-H340 WeakPolarHBondContact O-CB 3.5Å; A288-H340 VanDerWaalsContact O-CG 3.31Å; A288-H340 PolarHBondContact O-ND1 3.38Å; S289-H340 VanDerWaalsContact CA-CE1 3.49Å; S289-H340 WeakPolarHBondContact CA-CE1 3.41Å; S289-H340 WeakPolarHBondContact CB-CE1 3.38Å; V292-H340 HydrophobicContact CG1-CB 4.49Å; V292-H340 WeakPolarHBondContact CG1-O 3.21Å; L336-H340 WeakPolarHBondContact O-CB 3.14Å; L336-H340 PolarHBondContact O-N 3.5Å; H340-Q344 VanDerWaalsContact O-CG 3.28Å; H340-Q344 WeakPolarHBondContact O-CG 3.5Å
341V97.2Very high95.5Very high0 Ų041 Ų410%021%0.205CC..Iπ-helixtrans-83.4-49.3179.4168.90000111.3V292 L296 L315 L332 H337 Q344 L345V292-V341 HydrophobicContact CG1-CG2 3.85Å; V292-V341 HydrophobicContact CG2-CG2 4.03Å; L296-V341 HydrophobicContact CD1-CB 4.22Å; L296-V341 HydrophobicContact CD1-CG1 3.77Å; L296-V341 HydrophobicContact CD1-CG2 4.17Å; L315-V341 HydrophobicContact CD2-CG1 4.2Å; L332-V341 HydrophobicContact CD1-CG2 3.73Å; H337-V341 WeakPolarHBondContact NE2-CG1 3.38Å; H337-V341 WeakPolarHBondContact O-CA 3.45Å; H337-V341 VanDerWaalsContact O-CB 3.31Å; H337-V341 WeakPolarHBondContact O-CB 3.49Å; H337-V341 PolarHBondContact O-N 3.42Å; V341-Q344 PolarHBondContact O-N 3.43Å; V341-L345 HydrophobicContact CG1-CD1 3.68Å; V341-L345 HydrophobicContact CG1-CG 4.08Å; V341-L345 PolarHBondContact O-N 2.86Å
342I96.7Very high95.6Very high5 Ų546.6 Ų46.63%0.02624%0.235CC..Hα-helixtrans-55.5-45.2-177.3-65.8-66.1000113.1H337 R338 Q344 L345 L346 F370 F371H337-I342 PolarHBondContact O-N 3.48Å; R338-I342 HydrophobicContact CG-CG1 4.43Å; I342-Q344 VanDerWaalsContact C-N 3.28Å; I342-Q344 PolarHBondContact O-N 3.18Å; I342-L345 HydrophobicContact CD1-CD1 4.37Å; I342-L345 PolarHBondContact O-N 2.89Å; I342-L346 HydrophobicContact CG2-CD1 4.44Å; I342-L346 WeakPolarHBondContact O-CG 3.38Å; I342-L346 PolarHBondContact O-N 3.31Å; I342-F370 HydrophobicContact CD1-CB 4.01Å; I342-F370 HydrophobicContact CG1-CB 4.44Å; I342-F371 HydrophobicContact CD1-CD1 3.91Å; I342-F371 HydrophobicContact CD1-CE1 3.93Å; I342-F371 HydrophobicContact CD1-CG 4.19Å; I342-F371 HydrophobicContact CD1-CZ 4.29Å; I342-F371 HydrophobicContact CG2-CD1 3.61Å; I342-F371 HydrophobicContact CG2-CE1 3.84Å
343P96.4Very high95.7Very high51 Ų5150.4 Ų50.433%0.33125%0.253SS..Hα-helixtrans-66.8-22.6177.8-23.736.5000114.9K347P343-K347 WeakPolarHBondContact O-CE 3.4Å; P343-K347 WeakPolarHBondContact O-CG 3.45Å
344Q97.1Very high95.7Very high36 Ų3654 Ų5417%0.16827%0.267CS..Hα-helixtrans-82.5-37.4173.8-50.2-64.611.800110.8V292 L296 H340 V341 I342 L346 K347 L348V292-Q344 HydrophobicContact CG1-CG 4.25Å; L296-Q344 HydrophobicContact CB-CB 4.16Å; L296-Q344 HydrophobicContact CD1-CB 4.14Å; H340-Q344 VanDerWaalsContact O-CG 3.28Å; H340-Q344 WeakPolarHBondContact O-CG 3.5Å; V341-Q344 PolarHBondContact O-N 3.43Å; I342-Q344 VanDerWaalsContact C-N 3.28Å; I342-Q344 PolarHBondContact O-N 3.18Å; Q344-L346 VanDerWaalsContact C-N 3.33Å; Q344-L346 PolarHBondContact O-N 2.97Å; Q344-K347 WeakPolarHBondContact O-CB 3.45Å; Q344-K347 PolarHBondContact O-N 2.97Å; Q344-K347 VanDerWaalsContact O-N 3.14Å; Q344-L348 WeakPolarHBondContact O-CG 3.23Å; Q344-L348 PolarHBondContact O-N 2.95Å
345L97.6Very high95.8Very high0 Ų055.4 Ų55.40%027%0.272CS..Hα-helixtrans-60.5-41.7172.5-68174.1000111.8L315 V341 I342 K347 L348 Y349 L360 Y367 F371L315-L345 HydrophobicContact CD2-CD1 4.08Å; L315-L345 HydrophobicContact CD2-CD2 3.79Å; L315-L345 HydrophobicContact CD2-CG 4.37Å; V341-L345 HydrophobicContact CG1-CD1 3.68Å; V341-L345 HydrophobicContact CG1-CG 4.08Å; V341-L345 PolarHBondContact O-N 2.86Å; I342-L345 HydrophobicContact CD1-CD1 4.37Å; I342-L345 PolarHBondContact O-N 2.89Å; L345-K347 VanDerWaalsContact C-N 3.27Å; L345-K347 PolarHBondContact O-N 3.1Å; L345-L348 HydrophobicContact CD2-CD1 4.41Å; L345-L348 PolarHBondContact O-N 3.38Å; L345-Y349 WeakPolarHBondContact O-CD2 3.13Å; L345-Y349 PolarHBondContact O-N 3.02Å; L345-L360 HydrophobicContact CD2-CD2 3.63Å; L345-Y367 HydrophobicContact CD1-CD1 4.45Å; L345-Y367 HydrophobicContact CD1-CD2 3.62Å; L345-Y367 HydrophobicContact CD1-CE2 3.95Å; L345-Y367 HydrophobicContact CD1-CG 3.9Å; L345-F371 HydrophobicContact CB-CE1 4.44Å; L345-F371 HydrophobicContact CB-CZ 4.16Å; L345-F371 HydrophobicContact CD1-CZ 4.47Å
346L97.3Very high96Very high22 Ų2251.5 Ų51.512%0.11524%0.244CC..Hα-helixtrans-57.2-38.4173.7-71.6172.8000112.7I342 Q344 Q350 F371 E375 Q379 I380I342-L346 HydrophobicContact CG2-CD1 4.44Å; I342-L346 WeakPolarHBondContact O-CG 3.38Å; I342-L346 PolarHBondContact O-N 3.31Å; Q344-L346 VanDerWaalsContact C-N 3.33Å; Q344-L346 PolarHBondContact O-N 2.97Å; L346-Q350 WeakPolarHBondContact O-CG 3.3Å; L346-F371 HydrophobicContact CD2-CD1 4.26Å; L346-F371 HydrophobicContact CD2-CE1 3.92Å; L346-F371 HydrophobicContact CG-CE1 4.1Å; L346-E375 HydrophobicContact CD1-CG 4.33Å; L346-E375 HydrophobicContact CD2-CB 4.32Å; L346-E375 HydrophobicContact CD2-CG 4.45Å; L346-Q379 HydrophobicContact CD2-CB 4.13Å; L346-I380 HydrophobicContact CD2-CD1 3.86Å; L346-I380 HydrophobicContact CD2-CG1 4.34Å
347K96.6Very high96.1Very high116 Ų11651.1 Ų51.150%0.50424%0.241SC..Hα-helixtrans-71-45.7174.6-63.3168.7-161.9169.20111.7P343 Q344 L345 Y349 Q350 V351P343-K347 WeakPolarHBondContact O-CE 3.4Å; P343-K347 WeakPolarHBondContact O-CG 3.45Å; Q344-K347 WeakPolarHBondContact O-CB 3.45Å; Q344-K347 PolarHBondContact O-N 2.97Å; Q344-K347 VanDerWaalsContact O-N 3.14Å; L345-K347 VanDerWaalsContact C-N 3.27Å; L345-K347 PolarHBondContact O-N 3.1Å; K347-Y349 VanDerWaalsContact C-N 3.26Å; K347-Y349 PolarHBondContact O-N 2.87Å; K347-Q350 WeakPolarHBondContact O-CB 3.14Å; K347-Q350 PolarHBondContact O-N 3.42Å; K347-V351 PolarHBondContact O-N 2.77Å
348L97.2Very high96.2Very high13 Ų1352.9 Ų52.97%0.06825%0.25CS..Hα-helixtrans-61-34.5179.4-71.5171000112.1L296 F301 Q344 L345 Q350 V351 I356 L360L296-L348 HydrophobicContact CB-CD1 4.07Å; F301-L348 HydrophobicContact CE1-CD1 4.08Å; F301-L348 HydrophobicContact CE2-CD1 4.02Å; F301-L348 HydrophobicContact CZ-CD1 3.66Å; Q344-L348 WeakPolarHBondContact O-CG 3.23Å; Q344-L348 PolarHBondContact O-N 2.95Å; L345-L348 HydrophobicContact CD2-CD1 4.41Å; L345-L348 PolarHBondContact O-N 3.38Å; L348-Q350 VanDerWaalsContact C-N 3.25Å; L348-Q350 PolarHBondContact O-N 3.2Å; L348-V351 WeakPolarHBondContact O-CB 3.28Å; L348-V351 PolarHBondContact O-N 3.11Å; L348-V351 VanDerWaalsContact O-N 3.09Å; L348-I356 HydrophobicContact CB-CG2 4.23Å; L348-I356 HydrophobicContact CD2-CG2 4.21Å; L348-L360 HydrophobicContact CB-CD1 4.11Å; L348-L360 HydrophobicContact CB-CD2 4.31Å
349Y97.3Very high96.3Very high2 Ų247.3 Ų47.31%0.00823%0.231CC..Hα-helixtrans-63.7-27.8173.1-96-78.8000113.6L345 K347 V351 R357 L360 I364 Y367 I380 Q383 V384L345-Y349 WeakPolarHBondContact O-CD2 3.13Å; L345-Y349 PolarHBondContact O-N 3.02Å; K347-Y349 VanDerWaalsContact C-N 3.26Å; K347-Y349 PolarHBondContact O-N 2.87Å; Y349-V351 VanDerWaalsContact C-N 3.29Å; Y349-R357 PolarHBondContact O-NH2 2.89Å; Y349-L360 HydrophobicContact CD1-CD1 4.16Å; Y349-L360 HydrophobicContact CD2-CD1 3.85Å; Y349-L360 HydrophobicContact CD2-CD2 4.18Å; Y349-L360 HydrophobicContact CD2-CG 4.5Å; Y349-L360 HydrophobicContact CE1-CB 4.4Å; Y349-L360 HydrophobicContact CE1-CD1 4.32Å; Y349-L360 HydrophobicContact CE2-CB 4.12Å; Y349-L360 HydrophobicContact CE2-CD1 4.03Å; Y349-L360 HydrophobicContact CE2-CD2 3.94Å; Y349-L360 HydrophobicContact CE2-CG 4.27Å; Y349-L360 HydrophobicContact CG-CD1 3.92Å; Y349-I364 WeakPolarHBondContact OH-CD1 3.25Å; Y349-Y367 HydrophobicContact CE2-CE2 4.12Å; Y349-Y367 WeakPolarHBondContact CE2-OH 3.44Å; Y349-Y367 PolarHBondContact OH-OH 3.45Å; Y349-I380 HydrophobicContact CD1-CD1 4.5Å; Y349-I380 HydrophobicContact CD2-CD1 3.48Å; Y349-I380 VanDerWaalsContact CD2-CD1 3.48Å; Y349-I380 HydrophobicContact CE1-CG2 4.23Å; Y349-I380 HydrophobicContact CE2-CD1 3.85Å; Y349-I380 HydrophobicContact CE2-CG2 4.41Å; Y349-I380 HydrophobicContact CG-CD1 3.84Å; Y349-Q383 HydrophobicContact CD1-CB 3.92Å; Y349-Q383 PolarHBondContact O-OE1 2.76Å; Y349-V384 HydrophobicContact CE1-CG2 3.8Å
350Q95.9Very high96.4Very high118 Ų11842 Ų4255%0.55121%0.208SC*.Hα-helixtrans-77.7-12.6174.7-60.9171.91400112.9L346 K347 L348L346-Q350 WeakPolarHBondContact O-CG 3.3Å; K347-Q350 WeakPolarHBondContact O-CB 3.14Å; K347-Q350 PolarHBondContact O-N 3.42Å; L348-Q350 VanDerWaalsContact C-N 3.25Å; L348-Q350 PolarHBondContact O-N 3.2Å
351V95.7Very high96.5Very high45 Ų4540 Ų4027%0.27320%0.199SC..  trans-80.8122.8175-170.50000109.2K347 L348 Y349 E353 I356 R357K347-V351 PolarHBondContact O-N 2.77Å; L348-V351 WeakPolarHBondContact O-CB 3.28Å; L348-V351 PolarHBondContact O-N 3.11Å; L348-V351 VanDerWaalsContact O-N 3.09Å; Y349-V351 VanDerWaalsContact C-N 3.29Å; V351-E353 VanDerWaalsContact C-N 3.27Å; V351-E353 HydrophobicContact CG1-CB 4.06Å; V351-E353 HydrophobicContact CG1-CG 3.76Å; V351-E353 WeakPolarHBondContact CG1-OE1 3.48Å; V351-E353 PolarHBondContact O-N 3.01Å; V351-I356 HydrophobicContact CB-CD1 4.09Å; V351-I356 HydrophobicContact CG1-CD1 3.7Å; V351-R357 PolarHBondContact O-NH2 3.35Å
352N94Very high96.4Very high123 Ų12342.5 Ų42.566%0.65821%0.214SC*.  trans-92.653.4-179.1-67.1-42.3000111.2R357N352-R357 PolarHBondContact OD1-NH2 3.15Å
353E95.3Very high96.4Very high82 Ų8243.2 Ų43.238%0.38322%0.217SC..  trans-110.1126.7174.9-73.1172.6-145.600109.5V351 H355 I356 R357V351-E353 VanDerWaalsContact C-N 3.27Å; V351-E353 HydrophobicContact CG1-CB 4.06Å; V351-E353 HydrophobicContact CG1-CG 3.76Å; V351-E353 WeakPolarHBondContact CG1-OE1 3.48Å; V351-E353 PolarHBondContact O-N 3.01Å; E353-H355 PolarHBondContact O-N 3.37Å; E353-H355 IonicContact OE2-CE1 2.76Å; E353-H355 PolarHBondContact OE2-CE1 3.34Å; E353-H355 IonicContact OE2-NE2 2.72Å; E353-I356 HydrophobicContact CB-CB 4.36Å; E353-I356 HydrophobicContact CB-CD1 3.9Å; E353-I356 HydrophobicContact CB-CG1 3.95Å; E353-I356 HydrophobicContact CG-CD1 4.44Å; E353-I356 PolarHBondContact O-N 2.93Å; E353-I356 WeakPolarHBondContact OE2-CD1 3.48Å; E353-R357 PolarHBondContact O-N 2.6Å
354E94.8Very high96.4Very high97 Ų9740.9 Ų40.945%0.45320%0.202SC..Hα-helixtrans-54.2-50-172-169.4-159.696.100112.2I356 R357 I358 N392 L395E354-I356 PolarHBondContact O-N 3.37Å; E354-R357 PolarHBondContact O-N 2.79Å; E354-I358 HydrophobicContact CG-CD1 3.87Å; E354-I358 HydrophobicContact CG-CG1 4.46Å; E354-I358 WeakPolarHBondContact O-CG1 3.44Å; E354-I358 PolarHBondContact O-N 3.09Å; E354-N392 PolarHBondContact OE1-ND2 3.22Å; E354-N392 VanDerWaalsContact OE1-ND2 3.11Å; E354-N392 PolarHBondContact OE2-ND2 3.35Å; E354-L395 HydrophobicContact CG-CD2 4.1Å
355H95Very high96.3Very high67 Ų6744.9 Ų44.931%0.3122%0.22SC..Hα-helixtrans-63.1-41.6-177.572.5-86.1000112.3E353 R357 I358 V359E353-H355 PolarHBondContact O-N 3.37Å; E353-H355 IonicContact OE2-CE1 2.76Å; E353-H355 PolarHBondContact OE2-CE1 3.34Å; E353-H355 IonicContact OE2-NE2 2.72Å; H355-R357 VanDerWaalsContact C-N 3.35Å; H355-R357 PolarHBondContact O-N 3.38Å; H355-I358 PolarHBondContact O-N 3.19Å; H355-V359 VanDerWaalsContact O-CG2 3.31Å; H355-V359 WeakPolarHBondContact O-CG2 3.27Å; H355-V359 PolarHBondContact O-N 2.58Å
356I96.8Very high96.2Very high0 Ų045.6 Ų45.60%022%0.224CC..Hα-helixtrans-61.2-46.7175-55.5-176.9000109.8S298 F301 L348 V351 E353 E354 I358 V359 L360S298-I356 VanDerWaalsContact CB-CD1 3.46Å; F301-I356 HydrophobicContact CB-CG1 4.39Å; F301-I356 HydrophobicContact CD2-CG2 3.94Å; F301-I356 HydrophobicContact CE2-CG2 4.46Å; L348-I356 HydrophobicContact CB-CG2 4.23Å; L348-I356 HydrophobicContact CD2-CG2 4.21Å; V351-I356 HydrophobicContact CB-CD1 4.09Å; V351-I356 HydrophobicContact CG1-CD1 3.7Å; E353-I356 HydrophobicContact CB-CB 4.36Å; E353-I356 HydrophobicContact CB-CD1 3.9Å; E353-I356 HydrophobicContact CB-CG1 3.95Å; E353-I356 HydrophobicContact CG-CD1 4.44Å; E353-I356 PolarHBondContact O-N 2.93Å; E353-I356 WeakPolarHBondContact OE2-CD1 3.48Å; E354-I356 PolarHBondContact O-N 3.37Å; I356-I358 PolarHBondContact O-N 3.17Å; I356-V359 PolarHBondContact O-N 3.28Å; I356-L360 HydrophobicContact CG2-CD1 3.89Å; I356-L360 HydrophobicContact CG2-CG 4.24Å; I356-L360 WeakPolarHBondContact O-CB 3.36Å; I356-L360 VanDerWaalsContact O-CG 3.28Å; I356-L360 WeakPolarHBondContact O-CG 3.32Å; I356-L360 PolarHBondContact O-N 3.27Å
357R97.1Very high96.1Very high12 Ų1244.5 Ų44.55%0.04522%0.218CC..Hα-helixtrans-63.2-43.4-180-166.264.959.877.2-1.6111.2Y349 V351 N352 E353 E354 H355 L360 L361 Q383 L395Y349-R357 PolarHBondContact O-NH2 2.89Å; V351-R357 PolarHBondContact O-NH2 3.35Å; N352-R357 PolarHBondContact OD1-NH2 3.15Å; E353-R357 PolarHBondContact O-N 2.6Å; E354-R357 PolarHBondContact O-N 2.79Å; H355-R357 VanDerWaalsContact C-N 3.35Å; H355-R357 PolarHBondContact O-N 3.38Å; R357-L360 PolarHBondContact O-N 2.97Å; R357-L361 HydrophobicContact CG-CD1 3.97Å; R357-L361 HydrophobicContact CG-CG 4.42Å; R357-L361 WeakPolarHBondContact O-CB 3.41Å; R357-L361 WeakPolarHBondContact O-CG 3.15Å; R357-L361 PolarHBondContact O-N 2.93Å; R357-Q383 PolarHBondContact NH1-O 3.49Å; R357-L395 HydrophobicContact CB-CD1 4.19Å; R357-L395 HydrophobicContact CG-CD1 3.72Å
358I96.2Very high96Very high37 Ų3739.1 Ų39.119%0.1920%0.195CC..Hα-helixtrans-59.7-46.6175.1-71172.8000111.3E354 H355 I356 L361 T362 L395E354-I358 HydrophobicContact CG-CD1 3.87Å; E354-I358 HydrophobicContact CG-CG1 4.46Å; E354-I358 WeakPolarHBondContact O-CG1 3.44Å; E354-I358 PolarHBondContact O-N 3.09Å; H355-I358 PolarHBondContact O-N 3.19Å; I356-I358 PolarHBondContact O-N 3.17Å; I358-L361 PolarHBondContact O-N 3.33Å; I358-T362 WeakPolarHBondContact O-CB 3.38Å; I358-T362 PolarHBondContact O-N 3.17Å; I358-T362 PolarHBondContact O-OG1 2.79Å; I358-L395 HydrophobicContact CG1-CB 4.31Å; I358-L395 HydrophobicContact CG1-CD1 4.13Å
359V97Very high95.9Very high11 Ų1144.3 Ų44.37%0.06722%0.219CC..Hα-helixtrans-63.9-46.2178.6171.70000111.4F301 V307 L311 H355 I356 L361 T362 H363F301-V359 HydrophobicContact CD2-CB 3.76Å; F301-V359 HydrophobicContact CD2-CG1 3.44Å; F301-V359 VanDerWaalsContact CD2-CG1 3.44Å; F301-V359 HydrophobicContact CE2-CB 4.26Å; F301-V359 HydrophobicContact CE2-CG1 3.64Å; F301-V359 HydrophobicContact CG-CB 4.49Å; F301-V359 HydrophobicContact CG-CG1 4.05Å; F301-V359 HydrophobicContact CZ-CG1 4.39Å; V307-V359 HydrophobicContact CB-CG2 4.47Å; V307-V359 HydrophobicContact CG1-CG1 4.18Å; V307-V359 HydrophobicContact CG1-CG2 3.94Å; V307-V359 HydrophobicContact CG2-CG1 4.07Å; V307-V359 HydrophobicContact CG2-CG2 3.63Å; L311-V359 HydrophobicContact CD1-CG1 3.79Å; H355-V359 VanDerWaalsContact O-CG2 3.31Å; H355-V359 WeakPolarHBondContact O-CG2 3.27Å; H355-V359 PolarHBondContact O-N 2.58Å; I356-V359 PolarHBondContact O-N 3.28Å; V359-L361 PolarHBondContact O-N 3.09Å; V359-T362 PolarHBondContact O-N 2.85Å; V359-H363 PolarHBondContact O-CD2 3.49Å; V359-H363 VanDerWaalsContact O-CD2 3.25Å; V359-H363 PolarHBondContact O-N 2.95Å; V359-H363 VanDerWaalsContact O-N 3.17Å
360L97.8Very high95.8Very high1 Ų145.5 Ų45.51%0.00522%0.224CC..Hα-helixtrans-56.4-50.3175.9-74171.2000111.3F301 L345 L348 Y349 I356 R357 H363 I364 Y367F301-L360 HydrophobicContact CE2-CD2 3.88Å; F301-L360 HydrophobicContact CE2-CG 4.06Å; L345-L360 HydrophobicContact CD2-CD2 3.63Å; L348-L360 HydrophobicContact CB-CD1 4.11Å; L348-L360 HydrophobicContact CB-CD2 4.31Å; Y349-L360 HydrophobicContact CD1-CD1 4.16Å; Y349-L360 HydrophobicContact CD2-CD1 3.85Å; Y349-L360 HydrophobicContact CD2-CD2 4.18Å; Y349-L360 HydrophobicContact CD2-CG 4.5Å; Y349-L360 HydrophobicContact CE1-CB 4.4Å; Y349-L360 HydrophobicContact CE1-CD1 4.32Å; Y349-L360 HydrophobicContact CE2-CB 4.12Å; Y349-L360 HydrophobicContact CE2-CD1 4.03Å; Y349-L360 HydrophobicContact CE2-CD2 3.94Å; Y349-L360 HydrophobicContact CE2-CG 4.27Å; Y349-L360 HydrophobicContact CG-CD1 3.92Å; I356-L360 HydrophobicContact CG2-CD1 3.89Å; I356-L360 HydrophobicContact CG2-CG 4.24Å; I356-L360 WeakPolarHBondContact O-CB 3.36Å; I356-L360 VanDerWaalsContact O-CG 3.28Å; I356-L360 WeakPolarHBondContact O-CG 3.32Å; I356-L360 PolarHBondContact O-N 3.27Å; R357-L360 PolarHBondContact O-N 2.97Å; L360-H363 PolarHBondContact O-N 3.43Å; L360-I364 PolarHBondContact O-N 3.27Å; L360-Y367 VanDerWaalsContact C-OH 3.3Å; L360-Y367 PolarHBondContact O-OH 3.43Å
361L97.6Very high95.8Very high3 Ų340.3 Ų40.32%0.01620%0.2CC..Hα-helixtrans-66.2-36.8-179.6-65.8174.4000112.2R357 I358 V359 H363 I364 V384 L395 M398 S402R357-L361 HydrophobicContact CG-CD1 3.97Å; R357-L361 HydrophobicContact CG-CG 4.42Å; R357-L361 WeakPolarHBondContact O-CB 3.41Å; R357-L361 WeakPolarHBondContact O-CG 3.15Å; R357-L361 PolarHBondContact O-N 2.93Å; I358-L361 PolarHBondContact O-N 3.33Å; V359-L361 PolarHBondContact O-N 3.09Å; L361-H363 VanDerWaalsContact C-N 3.32Å; L361-H363 PolarHBondContact O-N 3.42Å; L361-I364 WeakPolarHBondContact O-CG2 3.29Å; L361-I364 PolarHBondContact O-N 3.08Å; L361-V384 HydrophobicContact CD2-CB 4.46Å; L361-V384 HydrophobicContact CD2-CG1 4.04Å; L361-V384 HydrophobicContact CD2-CG2 3.93Å; L361-L395 HydrophobicContact CD1-CD1 3.57Å; L361-M398 HydrophobicContact CB-CB 4.23Å; L361-M398 HydrophobicContact CD1-CB 4.36Å; L361-S402 WeakPolarHBondContact CB-OG 3.28Å; L361-S402 VanDerWaalsContact CD2-OG 3.27Å; L361-S402 WeakPolarHBondContact CD2-OG 3.38Å; L361-S402 PolarHBondContact O-OG 2.7Å
362T95.8Very high95.9Very high52 Ų5240.7 Ų40.732%0.31921%0.205SC..Hα-helixtrans-58.7-43.4175.6-60.50000111.8I358 V359 H365I358-T362 WeakPolarHBondContact O-CB 3.38Å; I358-T362 PolarHBondContact O-N 3.17Å; I358-T362 PolarHBondContact O-OG1 2.79Å; V359-T362 PolarHBondContact O-N 2.85Å; T362-H365 PolarHBondContact O-CE1 2.72Å; T362-H365 PolarHBondContact O-ND1 3.41Å
363H96.1Very high96Very high19 Ų1939.9 Ų39.99%0.08820%0.197CC..Hα-helixtrans-96.54.5-177.4-59.9-66.1000114.4V307 L315 V359 L360 L361 H365 I366 Y367V307-H363 PolarHBondContact O-NE2 3.28Å; L315-H363 HydrophobicContact CD1-CB 3.8Å; V359-H363 PolarHBondContact O-CD2 3.49Å; V359-H363 VanDerWaalsContact O-CD2 3.25Å; V359-H363 PolarHBondContact O-N 2.95Å; V359-H363 VanDerWaalsContact O-N 3.17Å; L360-H363 PolarHBondContact O-N 3.43Å; L361-H363 VanDerWaalsContact C-N 3.32Å; L361-H363 PolarHBondContact O-N 3.42Å; H363-H365 PolarHBondContact O-N 3.11Å; H363-H365 VanDerWaalsContact O-N 3.08Å; H363-I366 HydrophobicContact CB-CD1 4.1Å; H363-I366 HydrophobicContact CB-CG1 4.47Å; H363-I366 VanDerWaalsContact O-CB 3.28Å; H363-I366 WeakPolarHBondContact O-CB 3.24Å; H363-I366 WeakPolarHBondContact O-CG1 3.2Å; H363-I366 PolarHBondContact O-N 3.42Å; H363-Y367 HydrophobicContact CB-CD1 4.38Å; H363-Y367 HydrophobicContact CB-CE1 4.02Å; H363-Y367 WeakPolarHBondContact O-CD1 3.43Å; H363-Y367 VanDerWaalsContact O-CE1 3.24Å; H363-Y367 WeakPolarHBondContact O-CE1 3.42Å
364I96.9Very high96.1Very high2 Ų240.5 Ų40.51%0.0120%0.203CC..Hα-helixtrans-55.4-34.2-175.1-159.9175.4000112.9Y349 L360 L361 I366 Y367 A368 V384 V405 L406Y349-I364 WeakPolarHBondContact OH-CD1 3.25Å; L360-I364 PolarHBondContact O-N 3.27Å; L361-I364 WeakPolarHBondContact O-CG2 3.29Å; L361-I364 PolarHBondContact O-N 3.08Å; I364-I366 PolarHBondContact O-N 2.67Å; I364-Y367 HydrophobicContact CG1-CE2 4.43Å; I364-Y367 PolarHBondContact O-N 2.93Å; I364-A368 HydrophobicContact CG1-CB 4.17Å; I364-A368 WeakPolarHBondContact O-CB 3.4Å; I364-A368 PolarHBondContact O-N 2.95Å; I364-V384 HydrophobicContact CD1-CG2 4.36Å; I364-V405 HydrophobicContact CG2-CB 4.21Å; I364-V405 HydrophobicContact CG2-CG1 4.25Å; I364-V405 HydrophobicContact CG2-CG2 4.18Å; I364-L406 HydrophobicContact CD1-CD2 4.25Å; I364-L406 HydrophobicContact CD1-CG 4.37Å
365H95.1Very high96.2Very high120 Ų12038.1 Ų38.156%0.55619%0.191SC*.Hα-helixtrans-64.9-15176.770.9-90.1000114.4T362 H363 V405T362-H365 PolarHBondContact O-CE1 2.72Å; T362-H365 PolarHBondContact O-ND1 3.41Å; H363-H365 PolarHBondContact O-N 3.11Å; H363-H365 VanDerWaalsContact O-N 3.08Å; H365-V405 HydrophobicContact CB-CG1 4.29Å; H365-V405 HydrophobicContact CB-CG2 4.19Å
366I94.1Very high96.3Very high15 Ų1535.2 Ų35.28%0.07718%0.178CC..Hα-helixtrans-86.4-42.3177.8-53.5-176.6000110.9P312 R316 H363 I364P312-I366 HydrophobicContact CB-CD1 4.23Å; R316-I366 HydrophobicContact CB-CG2 3.59Å; R316-I366 HydrophobicContact CG-CG2 4.16Å; H363-I366 HydrophobicContact CB-CD1 4.1Å; H363-I366 HydrophobicContact CB-CG1 4.47Å; H363-I366 VanDerWaalsContact O-CB 3.28Å; H363-I366 WeakPolarHBondContact O-CB 3.24Å; H363-I366 WeakPolarHBondContact O-CG1 3.2Å; H363-I366 PolarHBondContact O-N 3.42Å; I364-I366 PolarHBondContact O-N 2.67Å
367Y95.3Very high96.3Very high0 Ų039.7 Ų39.70%020%0.198CC..Hα-helixtrans-114.4-11.1-166.263-98.4000115.6L315 L345 Y349 L360 H363 I364 E369 F370 F371L315-Y367 HydrophobicContact CB-CD1 4.24Å; L315-Y367 HydrophobicContact CD1-CD1 4.24Å; L315-Y367 HydrophobicContact CD1-CE1 4.33Å; L315-Y367 HydrophobicContact CD2-CD1 4.45Å; L345-Y367 HydrophobicContact CD1-CD1 4.45Å; L345-Y367 HydrophobicContact CD1-CD2 3.62Å; L345-Y367 HydrophobicContact CD1-CE2 3.95Å; L345-Y367 HydrophobicContact CD1-CG 3.9Å; Y349-Y367 HydrophobicContact CE2-CE2 4.12Å; Y349-Y367 WeakPolarHBondContact CE2-OH 3.44Å; Y349-Y367 PolarHBondContact OH-OH 3.45Å; L360-Y367 VanDerWaalsContact C-OH 3.3Å; L360-Y367 PolarHBondContact O-OH 3.43Å; H363-Y367 HydrophobicContact CB-CD1 4.38Å; H363-Y367 HydrophobicContact CB-CE1 4.02Å; H363-Y367 WeakPolarHBondContact O-CD1 3.43Å; H363-Y367 VanDerWaalsContact O-CE1 3.24Å; H363-Y367 WeakPolarHBondContact O-CE1 3.42Å; I364-Y367 HydrophobicContact CG1-CE2 4.43Å; I364-Y367 PolarHBondContact O-N 2.93Å; Y367-E369 VanDerWaalsContact C-N 3.27Å; Y367-E369 PolarHBondContact O-N 3Å; Y367-F370 PolarHBondContact O-N 3.02Å; Y367-F370 VanDerWaalsContact O-N 3.09Å; Y367-F371 HydrophobicContact CD2-CD2 4.47Å; Y367-F371 AromaticContact CD2-CE2 3.53Å; Y367-F371 HydrophobicContact CD2-CE2 3.53Å; Y367-F371 AromaticContact CD2-CZ 3.96Å; Y367-F371 HydrophobicContact CD2-CZ 3.96Å; Y367-F371 AromaticContact CE2-CE2 3.61Å; Y367-F371 HydrophobicContact CE2-CE2 3.61Å; Y367-F371 AromaticContact CE2-CZ 3.9Å; Y367-F371 HydrophobicContact CE2-CZ 3.9Å
368A96.1Very high96.3Very high3 Ų342.6 Ų42.63%0.02521%0.214CC..G310 helixtrans-61-28.4-172.800000115I364 F370 V405 L406 L409I364-A368 HydrophobicContact CG1-CB 4.17Å; I364-A368 WeakPolarHBondContact O-CB 3.4Å; I364-A368 PolarHBondContact O-N 2.95Å; A368-F370 PolarHBondContact O-N 3.37Å; A368-V405 HydrophobicContact CB-CG1 4.47Å; A368-L406 HydrophobicContact CB-CD2 4.46Å; A368-L409 HydrophobicContact CB-CD1 3.66Å
369E95.2Very high96.4Very high122 Ų12244.6 Ų44.657%0.5722%0.223SC*.G310 helixtrans-73.8-9.3178.867.9172.7-166.400114.3Y367 L409Y367-E369 VanDerWaalsContact C-N 3.27Å; Y367-E369 PolarHBondContact O-N 3Å; E369-L409 HydrophobicContact CB-CD2 4.5Å
370F94.8Very high96.4Very high27 Ų2744.1 Ų44.112%0.11822%0.22CC..G310 helixtrans-93.7-20.1-177.5-58.1-65.9000114.4P317 V334 H337 R338 I342 Y367 A368P317-F370 VanDerWaalsContact CD-CE2 3.43Å; P317-F370 HydrophobicContact CG-CD1 4.09Å; P317-F370 HydrophobicContact CG-CD2 3.88Å; P317-F370 HydrophobicContact CG-CE1 3.63Å; P317-F370 HydrophobicContact CG-CE2 3.4Å; P317-F370 VanDerWaalsContact CG-CE2 3.4Å; P317-F370 HydrophobicContact CG-CG 4.22Å; P317-F370 HydrophobicContact CG-CZ 3.28Å; V334-F370 HydrophobicContact CG1-CD1 4.07Å; V334-F370 HydrophobicContact CG1-CE1 4.21Å; H337-F370 AromaticContact CE1-CD2 3.83Å; R338-F370 HydrophobicContact CG-CB 4.42Å; R338-F370 PolarHBondContact NE-O 2.89Å; R338-F370 PolarHBondContact NH2-O 3.19Å; I342-F370 HydrophobicContact CD1-CB 4.01Å; I342-F370 HydrophobicContact CG1-CB 4.44Å; Y367-F370 PolarHBondContact O-N 3.02Å; Y367-F370 VanDerWaalsContact O-N 3.09Å; A368-F370 PolarHBondContact O-N 3.37Å
371F96.3Very high96.4Very high9 Ų944.5 Ų44.54%0.03922%0.222CC..SBendtrans-63.4155.5165.5-64.8-71.4000111.2I342 L345 L346 Y367 E375 L376 I380I342-F371 HydrophobicContact CD1-CD1 3.91Å; I342-F371 HydrophobicContact CD1-CE1 3.93Å; I342-F371 HydrophobicContact CD1-CG 4.19Å; I342-F371 HydrophobicContact CD1-CZ 4.29Å; I342-F371 HydrophobicContact CG2-CD1 3.61Å; I342-F371 HydrophobicContact CG2-CE1 3.84Å; L345-F371 HydrophobicContact CB-CE1 4.44Å; L345-F371 HydrophobicContact CB-CZ 4.16Å; L345-F371 HydrophobicContact CD1-CZ 4.47Å; L346-F371 HydrophobicContact CD2-CD1 4.26Å; L346-F371 HydrophobicContact CD2-CE1 3.92Å; L346-F371 HydrophobicContact CG-CE1 4.1Å; Y367-F371 HydrophobicContact CD2-CD2 4.47Å; Y367-F371 AromaticContact CD2-CE2 3.53Å; Y367-F371 HydrophobicContact CD2-CE2 3.53Å; Y367-F371 AromaticContact CD2-CZ 3.96Å; Y367-F371 HydrophobicContact CD2-CZ 3.96Å; Y367-F371 AromaticContact CE2-CE2 3.61Å; Y367-F371 HydrophobicContact CE2-CE2 3.61Å; Y367-F371 AromaticContact CE2-CZ 3.9Å; Y367-F371 HydrophobicContact CE2-CZ 3.9Å; F371-E375 HydrophobicContact CB-CB 4.29Å; F371-E375 HydrophobicContact CD1-CB 4.28Å; F371-L376 HydrophobicContact CB-CD2 3.86Å; F371-L376 HydrophobicContact CB-CG 3.72Å; F371-L376 HydrophobicContact CD2-CD2 3.55Å; F371-L376 HydrophobicContact CD2-CG 4.38Å; F371-L376 HydrophobicContact CE2-CD2 4.39Å; F371-L376 HydrophobicContact CG-CD2 4.02Å; F371-L376 HydrophobicContact CG-CG 4.41Å; F371-I380 HydrophobicContact CD1-CD1 4.49Å; F371-I380 HydrophobicContact CD1-CG1 4.31Å; F371-I380 HydrophobicContact CD2-CG1 4.31Å; F371-I380 HydrophobicContact CE1-CD1 3.77Å; F371-I380 HydrophobicContact CE1-CG1 4.07Å; F371-I380 HydrophobicContact CE2-CD1 4.06Å; F371-I380 HydrophobicContact CE2-CG1 4.03Å; F371-I380 HydrophobicContact CG-CG1 4.45Å; F371-I380 HydrophobicContact CZ-CD1 3.53Å; F371-I380 HydrophobicContact CZ-CG1 3.93Å
372S96.2Very high96.4Very high53 Ų5347.2 Ų47.237%0.37124%0.239SC..  trans-71158.5162.970.10000111.6D374 E375 L376S372-D374 PolarHBondContact O-N 3.24Å; S372-E375 WeakPolarHBondContact CA-OE2 3.32Å; S372-E375 WeakPolarHBondContact CB-OE2 3.44Å; S372-E375 PolarHBondContact N-OE2 3.49Å; S372-E375 PolarHBondContact O-N 2.72Å; S372-E375 VanDerWaalsContact OG-CD 3.3Å; S372-E375 WeakPolarHBondContact OG-CG 3.29Å; S372-E375 PolarHBondContact OG-N 3.25Å; S372-E375 PolarHBondContact OG-OE2 3.49Å; S372-L376 WeakPolarHBondContact O-CG 3.42Å; S372-L376 PolarHBondContact O-N 3.35Å
373H96.4Very high96.4Very high106 Ų10647 Ų4749%0.49124%0.235SC..Hα-helixtrans-60.7-26.6174.4-175.194.9000112.5K377 L409H373-K377 WeakPolarHBondContact O-CB 3.31Å; H373-K377 PolarHBondContact O-N 3.14Å; H373-K377 VanDerWaalsContact O-N 3.1Å; H373-L409 PolarHBondContact ND1-O 3.17Å
374D96.9Very high96.5Very high95 Ų9546 Ų4651%0.50823%0.23SC..Hα-helixtrans-75.6-46.8177.6-159.883.6000111.9S372 L376 K377 N378S372-D374 PolarHBondContact O-N 3.24Å; D374-L376 PolarHBondContact O-N 2.91Å; D374-K377 PolarHBondContact O-N 2.99Å; D374-N378 VanDerWaalsContact O-CB 3.32Å; D374-N378 WeakPolarHBondContact O-CB 3.48Å; D374-N378 PolarHBondContact O-N 3.38Å; D374-N378 PolarHBondContact OD1-ND2 3.31Å; D374-N378 PolarHBondContact OD2-ND2 2.87Å
375E97.6Very high96.4Very high46 Ų4649 Ų4922%0.21525%0.246CC..Hα-helixtrans-58.5-45.6172.4-71157.4132.500111.5L346 F371 S372 K377 Q379 I380L346-E375 HydrophobicContact CD1-CG 4.33Å; L346-E375 HydrophobicContact CD2-CB 4.32Å; L346-E375 HydrophobicContact CD2-CG 4.45Å; F371-E375 HydrophobicContact CB-CB 4.29Å; F371-E375 HydrophobicContact CD1-CB 4.28Å; S372-E375 WeakPolarHBondContact CA-OE2 3.32Å; S372-E375 WeakPolarHBondContact CB-OE2 3.44Å; S372-E375 PolarHBondContact N-OE2 3.49Å; S372-E375 PolarHBondContact O-N 2.72Å; S372-E375 VanDerWaalsContact OG-CD 3.3Å; S372-E375 WeakPolarHBondContact OG-CG 3.29Å; S372-E375 PolarHBondContact OG-N 3.25Å; S372-E375 PolarHBondContact OG-OE2 3.49Å; E375-K377 VanDerWaalsContact C-N 3.34Å; E375-K377 PolarHBondContact O-N 2.69Å; E375-Q379 WeakPolarHBondContact O-CA 3.49Å; E375-Q379 WeakPolarHBondContact O-CB 3.28Å; E375-Q379 PolarHBondContact O-N 3.25Å; E375-I380 PolarHBondContact O-N 2.88Å
376L97.6Very high96.5Very high7 Ų747.8 Ų47.84%0.03724%0.243CC..Iπ-helixtrans-57.4-46.4175.6-76.5-180000112.1F371 S372 D374 I380 L381 L406 L409 L410F371-L376 HydrophobicContact CB-CD2 3.86Å; F371-L376 HydrophobicContact CB-CG 3.72Å; F371-L376 HydrophobicContact CD2-CD2 3.55Å; F371-L376 HydrophobicContact CD2-CG 4.38Å; F371-L376 HydrophobicContact CE2-CD2 4.39Å; F371-L376 HydrophobicContact CG-CD2 4.02Å; F371-L376 HydrophobicContact CG-CG 4.41Å; S372-L376 WeakPolarHBondContact O-CG 3.42Å; S372-L376 PolarHBondContact O-N 3.35Å; D374-L376 PolarHBondContact O-N 2.91Å; L376-I380 HydrophobicContact CD2-CB 4.45Å; L376-I380 HydrophobicContact CD2-CG1 4.43Å; L376-L381 WeakPolarHBondContact O-CB 3.33Å; L376-L381 PolarHBondContact O-N 2.89Å; L376-L406 HydrophobicContact CD2-CD2 3.96Å; L376-L409 HydrophobicContact CD1-CB 3.89Å; L376-L409 HydrophobicContact CD1-CD1 4.04Å; L376-L410 HydrophobicContact CB-CD1 4.13Å; L376-L410 HydrophobicContact CB-CD2 3.66Å; L376-L410 HydrophobicContact CB-CG 4.04Å; L376-L410 HydrophobicContact CD1-CD2 4.48Å
377K96.9Very high96.5Very high94 Ų9447.1 Ų47.141%0.40924%0.24SC..Iπ-helixtrans-76.5-45.2-174-179-172165.5-124.60112.9H373 D374 E375 P382 L410 V414H373-K377 WeakPolarHBondContact O-CB 3.31Å; H373-K377 PolarHBondContact O-N 3.14Å; H373-K377 VanDerWaalsContact O-N 3.1Å; D374-K377 PolarHBondContact O-N 2.99Å; E375-K377 VanDerWaalsContact C-N 3.34Å; E375-K377 PolarHBondContact O-N 2.69Å; K377-P382 WeakPolarHBondContact O-CD 3.37Å; K377-L410 HydrophobicContact CB-CD2 3.87Å; K377-V414 HydrophobicContact CD-CG1 4.49Å; K377-V414 HydrophobicContact CG-CG1 3.95Å
378N97.2Very high96.5Very high72 Ų7251.2 Ų51.239%0.38526%0.26SS..Iπ-helixtrans-101.4-18.1-166-56.9-24.5000112.8D374D374-N378 VanDerWaalsContact O-CB 3.32Å; D374-N378 WeakPolarHBondContact O-CB 3.48Å; D374-N378 PolarHBondContact O-N 3.38Å; D374-N378 PolarHBondContact OD1-ND2 3.31Å; D374-N378 PolarHBondContact OD2-ND2 2.87Å
379Q97.1Very high96.3Very high80 Ų8062.2 Ų62.237%0.37430%0.301SS..Iπ-helixtrans-119.3-51.9-178.7-57.8-176.658.700112.6L346 E375 Q383L346-Q379 HydrophobicContact CD2-CB 4.13Å; E375-Q379 WeakPolarHBondContact O-CA 3.49Å; E375-Q379 WeakPolarHBondContact O-CB 3.28Å; E375-Q379 PolarHBondContact O-N 3.25Å; Q379-Q383 WeakPolarHBondContact O-CG 3.25Å
380I97.9Very high96.4Very high1 Ų159.6 Ų59.61%0.00529%0.291CS..Iπ-helixtrans-74.5-55.1-176.5-57.7-62.8000111.8L346 Y349 F371 E375 L376 Q383 V384L346-I380 HydrophobicContact CD2-CD1 3.86Å; L346-I380 HydrophobicContact CD2-CG1 4.34Å; Y349-I380 HydrophobicContact CD1-CD1 4.5Å; Y349-I380 HydrophobicContact CD2-CD1 3.48Å; Y349-I380 VanDerWaalsContact CD2-CD1 3.48Å; Y349-I380 HydrophobicContact CE1-CG2 4.23Å; Y349-I380 HydrophobicContact CE2-CD1 3.85Å; Y349-I380 HydrophobicContact CE2-CG2 4.41Å; Y349-I380 HydrophobicContact CG-CD1 3.84Å; F371-I380 HydrophobicContact CD1-CD1 4.49Å; F371-I380 HydrophobicContact CD1-CG1 4.31Å; F371-I380 HydrophobicContact CD2-CG1 4.31Å; F371-I380 HydrophobicContact CE1-CD1 3.77Å; F371-I380 HydrophobicContact CE1-CG1 4.07Å; F371-I380 HydrophobicContact CE2-CD1 4.06Å; F371-I380 HydrophobicContact CE2-CG1 4.03Å; F371-I380 HydrophobicContact CG-CG1 4.45Å; F371-I380 HydrophobicContact CZ-CD1 3.53Å; F371-I380 HydrophobicContact CZ-CG1 3.93Å; E375-I380 PolarHBondContact O-N 2.88Å; L376-I380 HydrophobicContact CD2-CB 4.45Å; L376-I380 HydrophobicContact CD2-CG1 4.43Å; I380-Q383 PolarHBondContact O-N 2.91Å; I380-V384 HydrophobicContact CG2-CG2 3.92Å; I380-V384 WeakPolarHBondContact O-CG2 3.17Å; I380-V384 PolarHBondContact O-N 2.97Å
381L97.3Very high96.5Very high8 Ų865 Ų654%0.04233%0.326CS..Hα-helixtrans-55.5-44-175.8175.965.4000113.2L376 Q383 V384 L385 L403 L406 L410 V414 V415L376-L381 WeakPolarHBondContact O-CB 3.33Å; L376-L381 PolarHBondContact O-N 2.89Å; L381-Q383 VanDerWaalsContact C-N 3.34Å; L381-Q383 PolarHBondContact O-N 2.72Å; L381-V384 PolarHBondContact O-N 2.85Å; L381-L385 HydrophobicContact CD1-CD1 3.98Å; L381-L385 HydrophobicContact CD1-CD2 4.38Å; L381-L385 HydrophobicContact CD1-CG 3.92Å; L381-L385 HydrophobicContact CG-CD1 3.89Å; L381-L385 HydrophobicContact CG-CG 4.3Å; L381-L385 WeakPolarHBondContact O-CB 3.4Å; L381-L385 VanDerWaalsContact O-CG 3.28Å; L381-L385 WeakPolarHBondContact O-CG 3.26Å; L381-L385 PolarHBondContact O-N 3.04Å; L381-L403 HydrophobicContact CD1-CD2 3.59Å; L381-L406 HydrophobicContact CB-CD1 4.47Å; L381-L406 HydrophobicContact CD1-CD1 4Å; L381-L410 HydrophobicContact CB-CD1 4.07Å; L381-L410 HydrophobicContact CD2-CD1 3.87Å; L381-L410 HydrophobicContact CG-CD1 4.47Å; L381-V414 HydrophobicContact CD2-CG1 3.98Å; L381-V415 HydrophobicContact CD1-CG1 4.09Å
382P96.8Very high96.5Very high60 Ų6066.5 Ų66.539%0.3934%0.335SS..Hα-helixtrans-59.4-40.5175.1-26.136.7000113.4K377 L385 L386K377-P382 WeakPolarHBondContact O-CD 3.37Å; P382-L385 PolarHBondContact O-N 3.43Å; P382-L386 PolarHBondContact O-N 3.31Å
383Q97.1Very high96.5Very high47 Ų4770.6 Ų70.622%0.2235%0.353CS..Hα-helixtrans-70.9-35.3178-64.4-64-17.300112.4Y349 R357 Q379 I380 L381 L386Y349-Q383 HydrophobicContact CD1-CB 3.92Å; Y349-Q383 PolarHBondContact O-OE1 2.76Å; R357-Q383 PolarHBondContact NH1-O 3.49Å; Q379-Q383 WeakPolarHBondContact O-CG 3.25Å; I380-Q383 PolarHBondContact O-N 2.91Å; L381-Q383 VanDerWaalsContact C-N 3.34Å; L381-Q383 PolarHBondContact O-N 2.72Å; Q383-L386 VanDerWaalsContact OE1-CD1 3.29Å
384V97.3Very high96.5Very high0 Ų068.6 Ų68.60%035%0.35CS..Hα-helixtrans-63.3-47.5172.1174.70000110.3Y349 L361 I364 I380 L381 L386 G387 T399 L403 L406Y349-V384 HydrophobicContact CE1-CG2 3.8Å; L361-V384 HydrophobicContact CD2-CB 4.46Å; L361-V384 HydrophobicContact CD2-CG1 4.04Å; L361-V384 HydrophobicContact CD2-CG2 3.93Å; I364-V384 HydrophobicContact CD1-CG2 4.36Å; I380-V384 HydrophobicContact CG2-CG2 3.92Å; I380-V384 WeakPolarHBondContact O-CG2 3.17Å; I380-V384 PolarHBondContact O-N 2.97Å; L381-V384 PolarHBondContact O-N 2.85Å; V384-L386 PolarHBondContact O-N 3.45Å; V384-L386 VanDerWaalsContact O-N 3.15Å; V384-G387 PolarHBondContact O-N 2.72Å; V384-T399 HydrophobicContact CG1-CG2 4.01Å; V384-T399 WeakPolarHBondContact O-CG2 3.33Å; V384-L403 HydrophobicContact CG1-CD2 3.86Å; V384-L403 HydrophobicContact CG1-CG 4.1Å; V384-L406 HydrophobicContact CG2-CD1 4.34Å
385L96.1Very high96.5Very high65 Ų6564.3 Ų64.334%0.3433%0.328SS..Hα-helixtrans-61.3-24.6-176.3-73.2169.6000114.2L381 P382 G387 M388 L403L381-L385 HydrophobicContact CD1-CD1 3.98Å; L381-L385 HydrophobicContact CD1-CD2 4.38Å; L381-L385 HydrophobicContact CD1-CG 3.92Å; L381-L385 HydrophobicContact CG-CD1 3.89Å; L381-L385 HydrophobicContact CG-CG 4.3Å; L381-L385 WeakPolarHBondContact O-CB 3.4Å; L381-L385 VanDerWaalsContact O-CG 3.28Å; L381-L385 WeakPolarHBondContact O-CG 3.26Å; L381-L385 PolarHBondContact O-N 3.04Å; P382-L385 PolarHBondContact O-N 3.43Å; L385-G387 PolarHBondContact O-N 3.34Å; L385-M388 HydrophobicContact CD2-SD 3.56Å; L385-M388 VanDerWaalsContact CD2-SD 3.56Å; L385-M388 WeakPolarHBondContact O-CB 3.36Å; L385-M388 PolarHBondContact O-N 2.88Å; L385-M388 VanDerWaalsContact O-N 3.13Å; L385-L403 HydrophobicContact CD2-CD1 4.1Å; L385-L403 HydrophobicContact CD2-CD2 3.78Å; L385-L403 HydrophobicContact CG-CD2 4.34Å
386L95.6Very high96.5Very high93 Ų9363.7 Ų63.749%0.48733%0.327SS..Hα-helixtrans-54.4-40.1172.8-62.6179000112P382 Q383 V384 M388 R389P382-L386 PolarHBondContact O-N 3.31Å; Q383-L386 VanDerWaalsContact OE1-CD1 3.29Å; V384-L386 PolarHBondContact O-N 3.45Å; V384-L386 VanDerWaalsContact O-N 3.15Å; L386-M388 PolarHBondContact O-N 2.93Å; L386-M388 VanDerWaalsContact O-N 3.13Å; L386-R389 PolarHBondContact O-N 3.11Å
387G95.6Very high96.5Very high1 Ų165.3 Ų65.31%0.0134%0.341CS..G310 helixtrans-67.4-9.9-178.300000114.7V384 L385 R389 V396 T399V384-G387 PolarHBondContact O-N 2.72Å; L385-G387 PolarHBondContact O-N 3.34Å; G387-R389 PolarHBondContact O-N 2.97Å; G387-V396 WeakPolarHBondContact O-CA 3.42Å; G387-V396 WeakPolarHBondContact O-CG2 3.11Å; G387-T399 WeakPolarHBondContact CA-OG1 3.49Å
388M94.6Very high96.4Very high86 Ų8662.5 Ų62.542%0.42433%0.33SS..G310 helixtrans-73.1-14.8173.7-67.1-172.465.900113.6L385 L386 T399 L400 L403L385-M388 HydrophobicContact CD2-SD 3.56Å; L385-M388 VanDerWaalsContact CD2-SD 3.56Å; L385-M388 WeakPolarHBondContact O-CB 3.36Å; L385-M388 PolarHBondContact O-N 2.88Å; L385-M388 VanDerWaalsContact O-N 3.13Å; L386-M388 PolarHBondContact O-N 2.93Å; L386-M388 VanDerWaalsContact O-N 3.13Å; M388-T399 HydrophobicContact CG-CG2 3.68Å; M388-L400 HydrophobicContact CE-CD2 4.12Å; M388-L403 HydrophobicContact CG-CD1 4.06Å; M388-L403 HydrophobicContact SD-CD1 3.59Å; M388-L403 VanDerWaalsContact SD-CD1 3.59Å
389R92.9Very high96.4Very high235 Ų23559 Ų5989%0.88731%0.311SS*.G310 helixtrans-12115.2-177.7-62.3-17464.5-178.5-1.5112.6L386 G387L386-R389 PolarHBondContact O-N 3.11Å; G387-R389 PolarHBondContact O-N 2.97Å
390D96.8Very high96.4Very high66 Ų6659.7 Ų59.735%0.35332%0.317SS..  trans-73.1161.1177.8-156.6-80000111.6N392 L395 V396D390-N392 PolarHBondContact OD1-N 3.4Å; D390-L395 HydrophobicContact CB-CD2 4.14Å; D390-L395 HydrophobicContact CB-CG 4.38Å; D390-V396 HydrophobicContact CB-CG2 4.29Å
391T96.2Very high96.4Very high141 Ų14165.1 Ų65.187%0.86534%0.342SS*.SBendtrans-80.8-16.3173.643.90000114
392N96.3Very high96.4Very high41 Ų4164.9 Ų64.922%0.21934%0.341CS..  trans-94.9108.2-178.4-174.2-33.8000111.5E354 D390 S394 L395 V396E354-N392 PolarHBondContact OE1-ND2 3.22Å; E354-N392 VanDerWaalsContact OE1-ND2 3.11Å; E354-N392 PolarHBondContact OE2-ND2 3.35Å; D390-N392 PolarHBondContact OD1-N 3.4Å; N392-S394 PolarHBondContact O-N 2.88Å; N392-S394 VanDerWaalsContact O-N 3.1Å; N392-S394 WeakPolarHBondContact OD1-CA 3.3Å; N392-S394 WeakPolarHBondContact OD1-CB 3.09Å; N392-S394 PolarHBondContact OD1-N 3.37Å; N392-L395 HydrophobicContact CB-CB 4.14Å; N392-L395 WeakPolarHBondContact O-CB 3.12Å; N392-L395 PolarHBondContact O-N 3.13Å; N392-L395 PolarHBondContact OD1-N 2.93Å; N392-V396 WeakPolarHBondContact O-CG2 3.21Å; N392-V396 PolarHBondContact O-N 3.01Å
393D96.6Very high96.4Very high139 Ų13962.9 Ų62.974%0.74333%0.327SS*.Hα-helixtrans-52.4-32.8179-72.4-28.8000113.8A397D393-A397 VanDerWaalsContact O-CB 3.28Å; D393-A397 WeakPolarHBondContact O-CB 3.44Å; D393-A397 PolarHBondContact O-N 3.27Å
394S95.8Very high96.4Very high64 Ų6463.8 Ų63.845%0.44834%0.342SS..Hα-helixtrans-67.5-44.7176.9-168.50000111.2N392 A397 M398N392-S394 PolarHBondContact O-N 2.88Å; N392-S394 VanDerWaalsContact O-N 3.1Å; N392-S394 WeakPolarHBondContact OD1-CA 3.3Å; N392-S394 WeakPolarHBondContact OD1-CB 3.09Å; N392-S394 PolarHBondContact OD1-N 3.37Å; S394-A397 PolarHBondContact O-N 3.32Å; S394-M398 WeakPolarHBondContact O-CB 3.16Å; S394-M398 VanDerWaalsContact O-CG 3.32Å; S394-M398 WeakPolarHBondContact O-CG 2.83Å; S394-M398 PolarHBondContact O-N 2.9Å
395L97Very high96.4Very high5 Ų566 Ų663%0.02636%0.356CS..Hα-helixtrans-66.5-38.6175.9177.353.2000111.5E354 R357 I358 L361 D390 N392 M398 T399E354-L395 HydrophobicContact CG-CD2 4.1Å; R357-L395 HydrophobicContact CB-CD1 4.19Å; R357-L395 HydrophobicContact CG-CD1 3.72Å; I358-L395 HydrophobicContact CG1-CB 4.31Å; I358-L395 HydrophobicContact CG1-CD1 4.13Å; L361-L395 HydrophobicContact CD1-CD1 3.57Å; D390-L395 HydrophobicContact CB-CD2 4.14Å; D390-L395 HydrophobicContact CB-CG 4.38Å; N392-L395 HydrophobicContact CB-CB 4.14Å; N392-L395 WeakPolarHBondContact O-CB 3.12Å; N392-L395 PolarHBondContact O-N 3.13Å; N392-L395 PolarHBondContact OD1-N 2.93Å; L395-M398 PolarHBondContact O-N 3.29Å; L395-T399 VanDerWaalsContact O-CB 3.29Å; L395-T399 WeakPolarHBondContact O-CB 3.41Å; L395-T399 PolarHBondContact O-N 3.36Å; L395-T399 PolarHBondContact O-OG1 3.13Å
396V97.7Very high96.5Very high32 Ų3262.9 Ų62.919%0.19434%0.339CS..Hα-helixtrans-61.3-47.5172.6178.30000110.8G387 D390 N392 T399 L400G387-V396 WeakPolarHBondContact O-CA 3.42Å; G387-V396 WeakPolarHBondContact O-CG2 3.11Å; D390-V396 HydrophobicContact CB-CG2 4.29Å; N392-V396 WeakPolarHBondContact O-CG2 3.21Å; N392-V396 PolarHBondContact O-N 3.01Å; V396-T399 WeakPolarHBondContact O-CB 3.39Å; V396-T399 PolarHBondContact O-N 3.47Å; V396-L400 HydrophobicContact CG1-CD1 4.25Å; V396-L400 WeakPolarHBondContact O-CG 3.21Å; V396-L400 PolarHBondContact O-N 2.94Å
397A97Very high96.5Very high42 Ų4260.8 Ų60.835%0.34733%0.33SS..Hα-helixtrans-63.1-43.6178.600000112.6D393 S394 T399 L400 Q401D393-A397 VanDerWaalsContact O-CB 3.28Å; D393-A397 WeakPolarHBondContact O-CB 3.44Å; D393-A397 PolarHBondContact O-N 3.27Å; S394-A397 PolarHBondContact O-N 3.32Å; A397-T399 VanDerWaalsContact C-N 3.31Å; A397-T399 PolarHBondContact O-N 2.9Å; A397-L400 PolarHBondContact O-N 2.92Å; A397-Q401 WeakPolarHBondContact O-CG 3.2Å; A397-Q401 PolarHBondContact O-N 3.48Å; A397-Q401 PolarHBondContact O-NE2 3Å
398M96.3Very high96.5Very high34 Ų3465.8 Ų65.817%0.16736%0.363CS..Hα-helixtrans-66.7-32.8175.7-70.6-52.2-5700112.4L361 S394 L395 S402L361-M398 HydrophobicContact CB-CB 4.23Å; L361-M398 HydrophobicContact CD1-CB 4.36Å; S394-M398 WeakPolarHBondContact O-CB 3.16Å; S394-M398 VanDerWaalsContact O-CG 3.32Å; S394-M398 WeakPolarHBondContact O-CG 2.83Å; S394-M398 PolarHBondContact O-N 2.9Å; L395-M398 PolarHBondContact O-N 3.29Å; M398-S402 WeakPolarHBondContact O-CB 3.48Å; M398-S402 PolarHBondContact O-N 3.42Å; M398-S402 PolarHBondContact O-OG 3.06Å
399T97.6Very high96.6Very high0 Ų064.6 Ų64.60%036%0.358CS..Hα-helixtrans-64.2-48.6173.2-62.50000111V384 G387 M388 L395 V396 A397 Q401 S402 L403V384-T399 HydrophobicContact CG1-CG2 4.01Å; V384-T399 WeakPolarHBondContact O-CG2 3.33Å; G387-T399 WeakPolarHBondContact CA-OG1 3.49Å; M388-T399 HydrophobicContact CG-CG2 3.68Å; L395-T399 VanDerWaalsContact O-CB 3.29Å; L395-T399 WeakPolarHBondContact O-CB 3.41Å; L395-T399 PolarHBondContact O-N 3.36Å; L395-T399 PolarHBondContact O-OG1 3.13Å; V396-T399 WeakPolarHBondContact O-CB 3.39Å; V396-T399 PolarHBondContact O-N 3.47Å; A397-T399 VanDerWaalsContact C-N 3.31Å; A397-T399 PolarHBondContact O-N 2.9Å; T399-Q401 VanDerWaalsContact C-N 3.34Å; T399-Q401 PolarHBondContact O-N 2.76Å; T399-S402 WeakPolarHBondContact O-CB 3.14Å; T399-S402 PolarHBondContact O-N 3.42Å; T399-S402 VanDerWaalsContact O-N 3.11Å; T399-L403 HydrophobicContact CG2-CD1 4.27Å; T399-L403 WeakPolarHBondContact O-CG 3.4Å; T399-L403 PolarHBondContact O-N 2.98Å
400L96.8Very high96.8Very high94 Ų9453.9 Ų53.949%0.49232%0.318SS..Hα-helixtrans-61.7-39.5178.2-68.4170.6000112.5M388 V396 A397 A404M388-L400 HydrophobicContact CE-CD2 4.12Å; V396-L400 HydrophobicContact CG1-CD1 4.25Å; V396-L400 WeakPolarHBondContact O-CG 3.21Å; V396-L400 PolarHBondContact O-N 2.94Å; A397-L400 PolarHBondContact O-N 2.92Å; L400-A404 PolarHBondContact O-N 3.3Å
401Q97.1Very high96.7Very high115 Ų11552.2 Ų52.254%0.53732%0.316SS..Hα-helixtrans-63.1-42.7172.1-70.3173.554.600112A397 T399 L403 A404 V405A397-Q401 WeakPolarHBondContact O-CG 3.2Å; A397-Q401 PolarHBondContact O-N 3.48Å; A397-Q401 PolarHBondContact O-NE2 3Å; T399-Q401 VanDerWaalsContact C-N 3.34Å; T399-Q401 PolarHBondContact O-N 2.76Å; Q401-L403 PolarHBondContact O-N 3.03Å; Q401-A404 WeakPolarHBondContact O-CB 3.35Å; Q401-A404 PolarHBondContact O-N 3.07Å; Q401-A404 VanDerWaalsContact O-N 3.13Å; Q401-V405 PolarHBondContact O-N 3.17Å
402S97.5Very high96.4Very high2 Ų246.4 Ų46.41%0.01428%0.283CS..Hα-helixtrans-65.5-37.6179.7-61.80000112.8L361 M398 T399 A404 V405 L406L361-S402 WeakPolarHBondContact CB-OG 3.28Å; L361-S402 VanDerWaalsContact CD2-OG 3.27Å; L361-S402 WeakPolarHBondContact CD2-OG 3.38Å; L361-S402 PolarHBondContact O-OG 2.7Å; M398-S402 WeakPolarHBondContact O-CB 3.48Å; M398-S402 PolarHBondContact O-N 3.42Å; M398-S402 PolarHBondContact O-OG 3.06Å; T399-S402 WeakPolarHBondContact O-CB 3.14Å; T399-S402 PolarHBondContact O-N 3.42Å; T399-S402 VanDerWaalsContact O-N 3.11Å; S402-A404 VanDerWaalsContact C-N 3.26Å; S402-A404 PolarHBondContact O-N 2.75Å; S402-V405 WeakPolarHBondContact O-CB 3.37Å; S402-V405 PolarHBondContact O-N 3.07Å; S402-V405 VanDerWaalsContact O-N 3.07Å; S402-L406 PolarHBondContact O-N 2.99Å
403L97.6Very high96.2Very high19 Ų1949.1 Ų49.110%0.09929%0.294CS..Hα-helixtrans-61.3-35.8173.1-67.2168.1000111.4L381 V384 L385 M388 T399 Q401 V405 L406 V407 V415L381-L403 HydrophobicContact CD1-CD2 3.59Å; V384-L403 HydrophobicContact CG1-CD2 3.86Å; V384-L403 HydrophobicContact CG1-CG 4.1Å; L385-L403 HydrophobicContact CD2-CD1 4.1Å; L385-L403 HydrophobicContact CD2-CD2 3.78Å; L385-L403 HydrophobicContact CG-CD2 4.34Å; M388-L403 HydrophobicContact CG-CD1 4.06Å; M388-L403 HydrophobicContact SD-CD1 3.59Å; M388-L403 VanDerWaalsContact SD-CD1 3.59Å; T399-L403 HydrophobicContact CG2-CD1 4.27Å; T399-L403 WeakPolarHBondContact O-CG 3.4Å; T399-L403 PolarHBondContact O-N 2.98Å; Q401-L403 PolarHBondContact O-N 3.03Å; L403-V405 VanDerWaalsContact C-N 3.3Å; L403-V405 PolarHBondContact O-N 3.37Å; L403-L406 PolarHBondContact O-N 3.41Å; L403-L406 VanDerWaalsContact O-N 3.17Å; L403-V407 WeakPolarHBondContact O-CG2 3.46Å; L403-V407 PolarHBondContact O-N 2.85Å; L403-V415 HydrophobicContact CB-CG1 3.94Å; L403-V415 HydrophobicContact CD2-CG1 3.63Å; L403-V415 HydrophobicContact CG-CG1 4.38Å
404A96.6Very high96.1Very high65 Ų6545.2 Ų45.254%0.53728%0.275SS..Hα-helixtrans-65.1-31.4173.900000113L400 Q401 S402 P408L400-A404 PolarHBondContact O-N 3.3Å; Q401-A404 WeakPolarHBondContact O-CB 3.35Å; Q401-A404 PolarHBondContact O-N 3.07Å; Q401-A404 VanDerWaalsContact O-N 3.13Å; S402-A404 VanDerWaalsContact C-N 3.26Å; S402-A404 PolarHBondContact O-N 2.75Å; A404-P408 WeakPolarHBondContact O-CD 3.35Å
405V97.1Very high96Very high46 Ų4642.5 Ų42.528%0.27926%0.256SS..Hα-helixtrans-70.4-34.6171.8178.80000111.9I364 H365 A368 Q401 S402 L403 P408I364-V405 HydrophobicContact CG2-CB 4.21Å; I364-V405 HydrophobicContact CG2-CG1 4.25Å; I364-V405 HydrophobicContact CG2-CG2 4.18Å; H365-V405 HydrophobicContact CB-CG1 4.29Å; H365-V405 HydrophobicContact CB-CG2 4.19Å; A368-V405 HydrophobicContact CB-CG1 4.47Å; Q401-V405 PolarHBondContact O-N 3.17Å; S402-V405 WeakPolarHBondContact O-CB 3.37Å; S402-V405 PolarHBondContact O-N 3.07Å; S402-V405 VanDerWaalsContact O-N 3.07Å; L403-V405 VanDerWaalsContact C-N 3.3Å; L403-V405 PolarHBondContact O-N 3.37Å; V405-P408 WeakPolarHBondContact O-CD 3.4Å
406L97.1Very high95.5Very high0 Ų047.2 Ų47.20%029%0.285CS..Hα-helixtrans-76.7-25.3178.1-64.4-178.1000113.5I364 A368 L376 L381 V384 S402 L403 L409 L410 V415I364-L406 HydrophobicContact CD1-CD2 4.25Å; I364-L406 HydrophobicContact CD1-CG 4.37Å; A368-L406 HydrophobicContact CB-CD2 4.46Å; L376-L406 HydrophobicContact CD2-CD2 3.96Å; L381-L406 HydrophobicContact CB-CD1 4.47Å; L381-L406 HydrophobicContact CD1-CD1 4Å; V384-L406 HydrophobicContact CG2-CD1 4.34Å; S402-L406 PolarHBondContact O-N 2.99Å; L403-L406 PolarHBondContact O-N 3.41Å; L403-L406 VanDerWaalsContact O-N 3.17Å; L406-L409 PolarHBondContact O-N 3.19Å; L406-L410 PolarHBondContact O-N 3.4Å; L406-V415 HydrophobicContact CB-CG1 4.3Å; L406-V415 HydrophobicContact CB-CG2 4.03Å
407V96.4Very high94.8Very high49 Ų4947.2 Ų47.230%0.29729%0.291SS..Hα-helixtrans-55.7-43.4-178.9158.20000113.7L403 L409 G411 A412 V415L403-V407 WeakPolarHBondContact O-CG2 3.46Å; L403-V407 PolarHBondContact O-N 2.85Å; V407-L409 VanDerWaalsContact C-N 3.33Å; V407-L409 PolarHBondContact O-N 3.34Å; V407-G411 CarbonylContact O-C 3.53Å; V407-G411 WeakPolarHBondContact O-CA 3.11Å; V407-G411 PolarHBondContact O-N 3.09Å; V407-A412 HydrophobicContact CG1-CB 3.96Å; V407-A412 HydrophobicContact CG2-CB 4.29Å; V407-V415 HydrophobicContact CG2-CB 3.95Å; V407-V415 HydrophobicContact CG2-CG1 4Å; V407-V415 HydrophobicContact CG2-CG2 4.33Å
408P96.5Very high94Very high106 Ų10648 Ų4869%0.68830%0.304SS*.Hα-helixtrans-62.6-30.5171.5-2835.9000115.6A404 V405A404-P408 WeakPolarHBondContact O-CD 3.35Å; V405-P408 WeakPolarHBondContact O-CD 3.4Å
409L96.6Very high93.4Very high61 Ų6154.7 Ų54.732%0.31934%0.34SS..Hα-helixtrans-91.2-39.3-171-58.1176.9000113.2A368 E369 H373 L376 L406 V407A368-L409 HydrophobicContact CB-CD1 3.66Å; E369-L409 HydrophobicContact CB-CD2 4.5Å; H373-L409 PolarHBondContact ND1-O 3.17Å; L376-L409 HydrophobicContact CD1-CB 3.89Å; L376-L409 HydrophobicContact CD1-CD1 4.04Å; L406-L409 PolarHBondContact O-N 3.19Å; V407-L409 VanDerWaalsContact C-N 3.33Å; V407-L409 PolarHBondContact O-N 3.34Å
410L96.2Very high92.7Very high10 Ų1061.7 Ų61.75%0.05237%0.366CS..Hα-helixtrans-102.6-18.9179.9-70.4-178.8000113.3L376 K377 L381 L406 V414 V415L376-L410 HydrophobicContact CB-CD1 4.13Å; L376-L410 HydrophobicContact CB-CD2 3.66Å; L376-L410 HydrophobicContact CB-CG 4.04Å; L376-L410 HydrophobicContact CD1-CD2 4.48Å; K377-L410 HydrophobicContact CB-CD2 3.87Å; L381-L410 HydrophobicContact CB-CD1 4.07Å; L381-L410 HydrophobicContact CD2-CD1 3.87Å; L381-L410 HydrophobicContact CG-CD1 4.47Å; L406-L410 PolarHBondContact O-N 3.4Å; L410-V414 HydrophobicContact CB-CB 4.2Å; L410-V414 HydrophobicContact CB-CG1 4.2Å; L410-V414 HydrophobicContact CD1-CG1 4.33Å; L410-V414 WeakPolarHBondContact O-CG2 3.48Å; L410-V415 HydrophobicContact CB-CG2 3.65Å; L410-V415 HydrophobicContact CD1-CG2 4.13Å; L410-V415 HydrophobicContact CG-CG2 4.48Å
411G94Very high92.3Very high31 Ų3162 Ų6232%0.3238%0.377SS..  trans82.8137.9-171.400000112.3V407 Q413 V414 V415V407-G411 CarbonylContact O-C 3.53Å; V407-G411 WeakPolarHBondContact O-CA 3.11Å; V407-G411 PolarHBondContact O-N 3.09Å; G411-Q413 PolarHBondContact O-N 3.37Å; G411-V414 PolarHBondContact O-N 2.95Å; G411-V415 PolarHBondContact O-N 3.07Å
412A91.6Very high91.8Very high19 Ų1965.1 Ų65.116%0.15739%0.388CS..Hα-helixtrans-58.1-18.7-177.200000115.4V407 V416V407-A412 HydrophobicContact CG1-CB 3.96Å; V407-A412 HydrophobicContact CG2-CB 4.29Å; A412-V416 HydrophobicContact CB-CG2 4.42Å; A412-V416 VanDerWaalsContact O-CB 3.3Å; A412-V416 WeakPolarHBondContact O-CB 3.2Å; A412-V416 WeakPolarHBondContact O-CG2 3.42Å; A412-V416 PolarHBondContact O-N 3.13Å; A412-V416 VanDerWaalsContact O-N 3.13Å
413Q91.1Very high91.3Very high99 Ų9970.1 Ų70.146%0.46342%0.419SS..Hα-helixtrans-68.9-34.3173.3-170.759.548.400112.6G411 G417 G418 R420G411-Q413 PolarHBondContact O-N 3.37Å; Q413-G417 PolarHBondContact O-N 3.21Å; Q413-G418 PolarHBondContact NE2-O 3.47Å; Q413-R420 VanDerWaalsContact OE1-CD 3.26Å
414V93.8Very high90.9Very high56 Ų5677.9 Ų77.934%0.33945%0.452SS..Hα-helixtrans-83.4-40.7-179.6179.30000110.5K377 L381 L410 G411K377-V414 HydrophobicContact CD-CG1 4.49Å; K377-V414 HydrophobicContact CG-CG1 3.95Å; L381-V414 HydrophobicContact CD2-CG1 3.98Å; L410-V414 HydrophobicContact CB-CB 4.2Å; L410-V414 HydrophobicContact CB-CG1 4.2Å; L410-V414 HydrophobicContact CD1-CG1 4.33Å; L410-V414 WeakPolarHBondContact O-CG2 3.48Å; G411-V414 PolarHBondContact O-N 2.95Å
415V93.4Very high90.5Very high7 Ų783.6 Ų83.64%0.04246%0.464CS..Hα-helixtrans-80.3-36.8-173.6-174.60000113.4L381 L403 L406 V407 L410 G411L381-V415 HydrophobicContact CD1-CG1 4.09Å; L403-V415 HydrophobicContact CB-CG1 3.94Å; L403-V415 HydrophobicContact CD2-CG1 3.63Å; L403-V415 HydrophobicContact CG-CG1 4.38Å; L406-V415 HydrophobicContact CB-CG1 4.3Å; L406-V415 HydrophobicContact CB-CG2 4.03Å; V407-V415 HydrophobicContact CG2-CB 3.95Å; V407-V415 HydrophobicContact CG2-CG1 4Å; V407-V415 HydrophobicContact CG2-CG2 4.33Å; L410-V415 HydrophobicContact CB-CG2 3.65Å; L410-V415 HydrophobicContact CD1-CG2 4.13Å; L410-V415 HydrophobicContact CG-CG2 4.48Å; G411-V415 PolarHBondContact O-N 3.07Å
416V87.5Confident89.7Confident105 Ų10591.5 Ų91.564%0.63649%0.489SS*.SBendtrans-94.8-26.3-178.3-172.40000111.9A412A412-V416 HydrophobicContact CB-CG2 4.42Å; A412-V416 VanDerWaalsContact O-CB 3.3Å; A412-V416 WeakPolarHBondContact O-CB 3.2Å; A412-V416 WeakPolarHBondContact O-CG2 3.42Å; A412-V416 PolarHBondContact O-N 3.13Å; A412-V416 VanDerWaalsContact O-N 3.13Å
417G84.1Confident88.9Confident32 Ų3297.5 Ų97.533%0.3353%0.526SS..  trans67.1-171.9-171.400000113.6Q413Q413-G417 PolarHBondContact O-N 3.21Å
418G79.9Confident87.9Confident59 Ų5999.5 Ų99.561%0.60854%0.538SS*.SBendtrans67173.5174.900000116Q413 R420Q413-G418 PolarHBondContact NE2-O 3.47Å; G418-R420 PolarHBondContact O-N 3.02Å
419D82.3Confident86.5Confident173 Ų17398.9 Ų98.993%0.92554%0.535SS*.  trans-78.3119.5175.5-83.5-47.3000111.8S421D419-S421 PolarHBondContact O-N 3.08Å
420R84.1Confident84.9Confident148 Ų148100.6 Ų100.656%0.55855%0.551SS**  trans-96.894.8-170.7-66.9-176.260.4-112.6-0.2112.4Q413 G418Q413-R420 VanDerWaalsContact OE1-CD 3.26Å; G418-R420 PolarHBondContact O-N 3.02Å
421S86.9Confident83.3Confident101 Ų101108.5 Ų108.571%0.70659%0.586SS**  trans-82.9156.8175.574.30000113.4D419 V423D419-S421 PolarHBondContact O-N 3.08Å; S421-V423 PolarHBondContact O-N 3.37Å
422K86.8Confident81.7Confident180 Ų180113.7 Ų113.778%0.78361%0.611SS**  trans-93.584.7-178.7-171.9-174.3175.8-179.10111.8F424K422-F424 WeakPolarHBondContact CE-O 3.5Å
423V88.4Confident80Confident107 Ų107123.4 Ų123.465%0.64864%0.644SS**  trans-68-49.6176.4-176.20000111.9S421S421-V423 PolarHBondContact O-N 3.37Å
424F87.7Confident78.2Confident182 Ų182124.4 Ų124.480%0.79866%0.662SS**  trans-84.8133.4-171.8-58.1-73.9000113.7K422K422-F424 WeakPolarHBondContact CE-O 3.5Å
425K88.8Confident76.1Confident184 Ų184126.6 Ų126.680%0.869%0.686SS**  trans-95.4136174.4-64.6175.9-176.1172.10109.7T427K425-T427 PolarHBondContact O-N 3.17Å
426R81.4Confident74Confident212 Ų212135 Ų13580%0.873%0.725SS**  trans-80.597.9177-176.7179.4177.9150.44.7109.8T428R426-T428 VanDerWaalsContact C-N 3.32Å; R426-T428 HydrophobicContact CG-CG2 4.12Å; R426-T428 PolarHBondContact NE-OG1 3Å; R426-T428 PolarHBondContact O-N 3.4Å
427T79.3Confident72.2Confident126 Ų126136.5 Ų136.577%0.77373%0.734SS**  trans-91.428.9-178.447.40000113.6K425 P429K425-T427 PolarHBondContact O-N 3.17Å; T427-P429 VanDerWaalsContact O-CD 3.26Å; T427-P429 WeakPolarHBondContact O-CD 3.44Å; T427-P429 VanDerWaalsContact O-N 3.13Å
428T76.3Confident70Confident91 Ų91141.5 Ų141.556%0.55876%0.758SS**  trans-60.9115.3176.541.50000110.3R426R426-T428 VanDerWaalsContact C-N 3.32Å; R426-T428 HydrophobicContact CG-CG2 4.12Å; R426-T428 PolarHBondContact NE-OG1 3Å; R426-T428 PolarHBondContact O-N 3.4Å
429P67.4Low68.2Low94 Ų94144.2 Ų144.261%0.6177%0.765SS**  trans-66.4134.7-177.126.7-34.7000111T427 F431T427-P429 VanDerWaalsContact O-CD 3.26Å; T427-P429 WeakPolarHBondContact O-CD 3.44Å; T427-P429 VanDerWaalsContact O-N 3.13Å; P429-F431 VanDerWaalsContact C-N 3.31Å; P429-F431 HydrophobicContact CB-CD2 4.1Å; P429-F431 HydrophobicContact CB-CE2 3.82Å; P429-F431 HydrophobicContact CB-CZ 4.39Å; P429-F431 HydrophobicContact CG-CD2 3.85Å; P429-F431 HydrophobicContact CG-CE2 3.43Å; P429-F431 VanDerWaalsContact CG-CE2 3.43Å; P429-F431 HydrophobicContact CG-CZ 4.32Å; P429-F431 PolarHBondContact O-N 2.94Å
430S61.2Low66.2Low96 Ų96145.2 Ų145.267%0.67176%0.764SS**  trans-83.169-174.960.70000112.2T432S430-T432 PolarHBondContact O-N 2.98Å; S430-T432 VanDerWaalsContact O-N 3.12Å
431F63.6Low64.2Low177 Ų177144.3 Ų144.378%0.77678%0.776SS**THydrogen-bonded Turntrans-64.3-10.2177.2-75-67.6000114.3P429 R433P429-F431 VanDerWaalsContact C-N 3.31Å; P429-F431 HydrophobicContact CB-CD2 4.1Å; P429-F431 HydrophobicContact CB-CE2 3.82Å; P429-F431 HydrophobicContact CB-CZ 4.39Å; P429-F431 HydrophobicContact CG-CD2 3.85Å; P429-F431 HydrophobicContact CG-CE2 3.43Å; P429-F431 VanDerWaalsContact CG-CE2 3.43Å; P429-F431 HydrophobicContact CG-CZ 4.32Å; P429-F431 PolarHBondContact O-N 2.94Å; F431-R433 VanDerWaalsContact C-N 3.29Å; F431-R433 PolarHBondContact O-N 3.16Å
432T60.6Low61.5Low139 Ų139145.3 Ų145.385%0.85378%0.783SS**THydrogen-bonded Turntrans-86.627179.250.60000114.6S430S430-T432 PolarHBondContact O-N 2.98Å; S430-T432 VanDerWaalsContact O-N 3.12Å
433R55.8Low59.6Low223 Ų223142.3 Ų142.384%0.84278%0.781SS**SBendtrans-129.741.9172.8-159.4-177.4-88.5176.4-7.8113.3F431F431-R433 VanDerWaalsContact C-N 3.29Å; F431-R433 PolarHBondContact O-N 3.16Å
434S52.5Low57.4Low120 Ų120143 Ų14384%0.83979%0.785SS**  trans-137.558.8167.8-61.40000110
435A50.4Low55.1Low103 Ų103143.1 Ų143.185%0.85179%0.788SS**  trans-129.454-178.300000110.9
436E49.3Very low52.8Low183 Ų183141.4 Ų141.486%0.85579%0.786SS**SBendtrans-139.3132171.8-164.3162.9-147.700108.3
437V49.1Very low50.5Low136 Ų136138.1 Ų138.182%0.82479%0.789SS**  trans64.585.3-174.8-162.40000116.6
438T39.3Very low48.1Very low138 Ų138135.3 Ų135.385%0.84779%0.786SS**  trans-129.2137.5135.632.90000109.1
439P40.6Very low45.9Very low116 Ų116136.8 Ų136.875%0.75380%0.799SS**  trans-82.9153-175.532.9-35.3000112.9T441P439-T441 PolarHBondContact O-N 2.92Å
440E41.8Very low44.2Very low194 Ų194137.7 Ų137.791%0.90781%0.808SS**SBendtrans-70.394.1174.1-63.5-174.6153.800112.1
441T41Very low42.9Very low129 Ų129139.5 Ų139.579%0.79181%0.81SS**  trans-176.2102.5145.543.30000112.1P439P439-T441 PolarHBondContact O-N 2.92Å
442S30.3Very low41.3Very low122 Ų122136.8 Ų136.885%0.85381%0.813SS**  trans-175.5157.4145.3-890000111.7
443P45.9Very low40Very low117 Ų117137.9 Ų137.976%0.7681%0.808SS**  trans-94.6165.4-154.836.3-37.2000116.1
444V42.8Very low38.7Very low120 Ų120135 Ų13573%0.72781%0.806SS**  trans-61.5134.6173.4176.10000111.9I446V444-I446 HydrophobicContact CG1-CG1 4.06Å
445H39.4Very low37.7Very low186 Ų186135.4 Ų135.486%0.86180%0.804SS**  trans-130.7141.2149.6-95.6-88.8000110.3
446I40.9Very low36.9Very low147 Ų147137.9 Ų137.975%0.75480%0.798SS**  trans-103.9137.5-175.6-66.1164.3000108.9V444V444-I446 HydrophobicContact CG1-CG1 4.06Å
447V32.8Very low36Very low144 Ų144134.9 Ų134.987%0.87379%0.794SS**  trans-179.2141.7140139.60000111
448G29Very low35.2Very low67 Ų67133.8 Ų133.869%0.69179%0.793SS**  trans80.462.2143.700000120.1S450G448-S450 PolarHBondContact O-N 3.44Å
449S29.2Very low34.9Very low121 Ų121137.1 Ų137.185%0.84680%0.795SS**  trans-81.2100.4167.3-56.90000112.4
450S33.6Very low34.5Very low113 Ų113139.3 Ų139.379%0.7980%0.799SS**  trans-86104.8168.142.50000111.3G448 S452G448-S450 PolarHBondContact O-N 3.44Å; S450-S452 PolarHBondContact O-N 3.5Å
451N32.8Very low34.1Very low134 Ų134136.8 Ų136.872%0.71779%0.791SS**  trans-80.496.8-179.5-91.6-10.1000112.5Q453N451-Q453 HydrophobicContact CB-CG 4.49Å; N451-Q453 PolarHBondContact O-N 3.31Å; N451-Q453 VanDerWaalsContact O-N 3.16Å
452S31.1Very low33.5Very low120 Ų120138.4 Ų138.484%0.83980%0.795SS**  trans-78.686.1159.8-65.60000110.3S450 M454S450-S452 PolarHBondContact O-N 3.5Å; S452-M454 PolarHBondContact O-N 3.32Å
453Q32.1Very low33.5Very low162 Ų162139.8 Ų139.876%0.75779%0.79SS**  trans-76.587.6177.9-81.9-170.1-30.300112.5N451 V455N451-Q453 HydrophobicContact CB-CG 4.49Å; N451-Q453 PolarHBondContact O-N 3.31Å; N451-Q453 VanDerWaalsContact O-N 3.16Å; Q453-V455 PolarHBondContact O-N 3.47Å
454M29Very low32.7Very low162 Ų162142.2 Ų142.280%0.79880%0.795SS**  trans-74.2101.4164.1-171.2179.372.400109.6S452 Q456S452-M454 PolarHBondContact O-N 3.32Å; M454-Q456 PolarHBondContact O-N 3.26Å
455V31.7Very low32.2Very low130 Ų130142.5 Ų142.579%0.78880%0.8SS**PPolyproline II helixtrans-66.6117.1-1761790000111.2Q453Q453-V455 PolarHBondContact O-N 3.47Å
456Q32.9Very low31.6Very low155 Ų155143.3 Ų143.372%0.72480%0.801SS**PPolyproline II helixtrans-93137.6163.7-69.5-170.3800110.2M454 S458M454-Q456 PolarHBondContact O-N 3.26Å; Q456-S458 PolarHBondContact O-N 3.35Å
457P31.8Very low31.2Very low120 Ų120142.3 Ų142.378%0.77980%0.804SS**PPolyproline II helixtrans-67.9127170.928.2-33.3000110.4
458S30.9Very low31Very low113 Ų113141.4 Ų141.479%0.7980%0.804SS**PPolyproline II helixtrans-74.5131.6-176.844.30000112Q456Q456-S458 PolarHBondContact O-N 3.35Å
459K34.3Very low30.9Very low207 Ų207147 Ų14790%0.981%0.812SS**  trans-92.4111.1172-68.3-176.5179.3-176.80110.2
460I31.4Very low30.8Very low163 Ų163146.9 Ų146.984%0.83681%0.806SS**  trans-121.7141.3160.6-63.6-177000108
461L33Very low30.5Very low141 Ų141151.3 Ų151.374%0.73881%0.811SS**  trans-87.3127.4-167.4-72141.7000112M463L461-M463 HydrophobicContact CB-CG 4.33Å; L461-M463 HydrophobicContact CD2-CE 4.37Å
462N29.4Very low30.2Very low162 Ų162148.1 Ų148.187%0.86681%0.81SS**  trans-75.3121.1152.5-82.3-22.1000108.7
463M28.8Very low30Very low152 Ų152147.9 Ų147.975%0.74981%0.808SS**  trans-119.6102172.3-76.9-78.597.900109.4L461L461-M463 HydrophobicContact CB-CG 4.33Å; L461-M463 HydrophobicContact CD2-CE 4.37Å
464L30Very low29.7Very low168 Ų168146.1 Ų146.188%0.8880%0.804SS**  trans-128.1129.7163.4-131.877.1000107.7
465P32.6Very low29.6Very low126 Ų126146.8 Ų146.882%0.81880%0.803SS**PPolyproline II helixtrans-80.6147.4-172.731.6-34.9000112.7
466K27Very low29.4Very low203 Ų203145.1 Ų145.188%0.88380%0.797SS**PPolyproline II helixtrans-103146.8158.9-111.2-174.2173.4-178.90109.2
467P32.6Very low29.3Very low126 Ų126145.6 Ų145.682%0.81880%0.799SS**PPolyproline II helixtrans-83.1161.2-176.534.6-35.7000112.8
468S28.8Very low29.2Very low124 Ų124146.6 Ų146.687%0.86780%0.802SS**  trans-145.1160.7160.759.10000109.9
469E27.1Very low29Very low184 Ų184144.3 Ų144.386%0.8680%0.797SS**  trans-103.1148.4-153.8-67.5-173.3124.700116.5
470T26.6Very low28.8Very low120 Ų120141.7 Ų141.774%0.73679%0.793SS**  trans57.6113139.5-58.60000120.5
471K27.8Very low28.8Very low205 Ų205140.4 Ų140.489%0.89179%0.787SS**  -165.9110.9125.3-110.1165.6-173.6174.60115
472G25.9Very low28.7Very low68 Ų68140.3 Ų140.370%0.70179%0.793SS**  trans63.1121.7136.300000122.6
473S26.4Very low28.6Very low114 Ų114135.6 Ų135.680%0.79778%0.782SS**  trans69149.5152.2-75.20000118.4
474D25.3Very low28.5Very low125 Ų125134.9 Ų134.967%0.66879%0.786SS**  cis-161.2165.20.5-117.413000113.4
475F27.4Very low28.5Very low177 Ų177134.6 Ų134.678%0.77678%0.78SS**  trans51.993156.6-72-70.5000124.5
476S28.4Very low28.2Very low94 Ų94136.2 Ų136.266%0.65778%0.777SS**  86.1147.8109.479.40000126.5
477H29.4Very low28.2Very low166 Ų166135.7 Ų135.777%0.76978%0.775SS**  trans84.1100.4146.2-76.8-62.9000125.9
478V30.7Very low28.9Very low140 Ų140134.2 Ų134.285%0.84877%0.765SS**  79132.7119.8170.20000123.7
479G27.3Very low28.9Very low66 Ų66139.5 Ų139.568%0.6877%0.766SS**  trans130.2113162.900000112.8
480N29.2Very low28.9Very low151 Ų151136.7 Ų136.781%0.80776%0.761SS**  cis62.5134.838.1-77.2-1.6000114.2
481L31.3Very low29.1Very low136 Ų136138.4 Ų138.471%0.71276%0.764SS**  cis-165.3168.612.8-119.3165.8000112.6
482T30.7Very low29.7Very low140 Ų140133.8 Ų133.886%0.85976%0.755SS**  trans61.9158.6162.753.10000119.9
483G27.9Very low30.7Very low62 Ų62136 Ų13664%0.63976%0.757SS**  cis164.8120.1-9.600000110.8
484T26.9Very low30.7Very low138 Ų138136.3 Ų136.385%0.84776%0.759SS**  86.5151.890.5-45.90000115.7
485Q29Very low30.9Very low161 Ų161135.4 Ų135.475%0.75276%0.763SS**  trans78.8145.9-175.4-65.4176.1-8100115.9
486E27.5Very low30.9Very low160 Ų160133.3 Ų133.375%0.74876%0.76SS**  cis-153.3-172-2.1-132.1163.8-146.600115.3
487K25.2Very low30.8Very low192 Ų192135 Ų13584%0.83576%0.761SS**  trans-165.5175.8-172.9-115.8-177.1-179.91740109.6
488P48.3Very low30.6Very low95 Ų95132 Ų13262%0.61776%0.759SS**  cis-145.6-170.9-18.543.8-25.2000116.8
489R28.9Very low30.5Very low236 Ų236136.5 Ų136.589%0.89176%0.761SS**  trans74160.8159-63.6172.2172.5169-3.9117.3
490V27.2Very low30.4Very low124 Ų124142.3 Ų142.375%0.75277%0.767SS**  cis-151.2113.431.9172.10000114.7
491I29.9Very low30.3Very low157 Ų157143.1 Ų143.181%0.80577%0.768SS**  trans54.4-172.2139.8-12170.8000122
492P40.5Very low30.5Very low107 Ų107141.9 Ų141.970%0.69577%0.768SS**  -135.3-139.8-125.650.6-28.7000114.8
493P46.9Very low30.5Very low115 Ų115143.4 Ų143.475%0.74777%0.77SS**  cis-132.4165.4-33.838.5-22.8000115.6
494S25.8Very low30.4Very low120 Ų120147 Ų14784%0.83978%0.78SS**  trans-174160.1143.5560000114.9
495S30.3Very low30.3Very low106 Ų106148.1 Ų148.174%0.74178%0.78SS**  trans-41.8160.7172.154.20000117
496D26.8Very low30.3Very low133 Ų133148 Ų14871%0.71179%0.785SS**  cis-166.9166.137.5-164.222.3000115.3
497N26.9Very low30.2Very low129 Ų129143.2 Ų143.269%0.6978%0.778SS**  trans43.5121.5152.8-93.2-55.3000125.5
498S26.3Very low30.3Very low103 Ų103143.2 Ų143.272%0.7278%0.778SS**  103.9143.3128.985.60000123.8
499R28.3Very low29.3Very low235 Ų235145.6 Ų145.689%0.88778%0.781SS**  trans71.3106.1155.6-71.7-178.4173.3-178.5-1.3123.2
500K25.7Very low29.2Very low188 Ų188143.4 Ų143.482%0.81777%0.773SS**  51.2126.8129.6-72.1-163.9173.5-167.10122.6
501M26.4Very low29.2Very low169 Ų169142.2 Ų142.283%0.83376%0.762SS**  trans70.1160.6149.2-64.8170.672.300117.9
502P36.1Very low29.1Very low109 Ų109141.2 Ų141.271%0.70876%0.759SS**  cis-119.2-175.3-10.738.9-23.9000113.7
503L30.2Very low28.3Very low173 Ų173142.6 Ų142.691%0.90676%0.76SS**  trans-73152.3168.2-71.5164.6000112.1
504T25.8Very low27.3Very low138 Ų138147.7 Ų147.785%0.84776%0.764SS**  trans-140.5159.8168.144.80000113.7
505L24.8Very low27.3Very low161 Ų161150.7 Ų150.784%0.84377%0.765SS**  trans-57.8157.1-165.6-127.667.5000119
506N29.3Very low27Very low159 Ų159153.7 Ų153.785%0.8577%0.768SS**  trans-19149.6156.6-60.8-19000119.4
507G25.5Very low26.8Very low59 Ų59154.3 Ų154.361%0.60878%0.776SS**  trans166.2115.8142.400000119.2
508F26.5Very low26.6Very low192 Ų192156.7 Ų156.784%0.84278%0.78SS**  trans67.7158153.8-57.6-76.8000118.1
509H27.4Very low26.5Very low145 Ų145160.3 Ų160.367%0.67179%0.79SS**  cis-141148.16.8-107.5-36.5000108.9
510R27.5Very low26.3Very low189 Ų189152.3 Ų152.371%0.71378%0.781SS**  65.8131.776.3-169.5-176.1159.6-150.7-24.3112.3
511D26Very low26.4Very low99 Ų99148.4 Ų148.453%0.52978%0.778SS.*  -159.7157.152.5-133.6-15.7000114.8
512N28Very low26.5Very low137 Ų137147.4 Ų147.473%0.73377%0.771SS**  trans19.4151.2150.6-67.9-22000122.9
513N23.6Very low25.9Very low136 Ų136150.4 Ų150.473%0.72778%0.776SS**  -174.7172.358-1627000115.3
514R26Very low25.8Very low222 Ų222146.3 Ų146.384%0.83877%0.766SS**  trans83.579.4166.9-64.1-175.2151.8-164.7-8.7118
515Q25.1Very low25.8Very low183 Ų183147.5 Ų147.586%0.85577%0.768SS**  60.1114.376.9-164.5171.61700115.5
516E24.2Very low25.9Very low169 Ų169149.9 Ų149.979%0.7977%0.766SS**  trans-85.5165.7176-55.7170.6123.500113.2
517V24Very low26Very low145 Ų145150.9 Ų150.988%0.87977%0.77SS**  trans-140.9129.9162.7179.30000109.7
518F22.8Very low26.2Very low180 Ų180156.7 Ų156.779%0.78978%0.781SS**  trans-81.7150.9177.8-99.2-106.2000113.5
519L23.9Very low26.4Very low178 Ų178150.6 Ų150.693%0.93277%0.772SS**  trans-154.8152.9151.1-104.3165.5000108.4
520G22.9Very low26.6Very low67 Ų67150.1 Ų150.169%0.69178%0.782SS**  trans-154.1-155.6-16900000115.2
521S27.5Very low26.8Very low107 Ų107147 Ų14775%0.74878%0.784SS**  trans70.8140.1-161-78.70000113.6
522E28.5Very low27.1Very low148 Ų148151.2 Ų151.269%0.69280%0.801SS**  cis-164178-0.3-118.8166.378.500108.9
523Q25.5Very low27.2Very low172 Ų172152 Ų15280%0.80481%0.805SS**  cis-143.6-76.212.5-161.4167.583.500115.3
524A27.6Very low27.7Very low86 Ų86157.1 Ų157.171%0.71181%0.814SS**  trans-141.3161.7-173.600000109.3
525D25.1Very low28.2Very low164 Ų164151.5 Ų151.588%0.87781%0.806SS**  -152.7172.860.4-147.8-16.9000114
526R27.9Very low28.4Very low211 Ų211149 Ų14980%0.79680%0.799SS**  trans-111.6133.2-178.5-83.9-179.8164.3-168.4-7.4113.2
527L30.4Very low28.9Very low180 Ų180152.4 Ų152.494%0.94281%0.805SS**  trans-139.7139.3150.7-82.6176.1000109.7
528E30.4Very low29.2Very low180 Ų180149.5 Ų149.584%0.84179%0.791SS**  trans-101.8152-176.7-68.7169.1140.700111.5
529G29.6Very low29.6Very low64 Ų64149.1 Ų149.166%0.6679%0.791SS**  trans-134.7144.6168.800000108.9
530P32.4Very low29.9Very low136 Ų136146.3 Ų146.388%0.88378%0.777SS**  trans-79.5154.8-156.830.5-36.6000115
531V32.5Very low30.2Very low124 Ų124151 Ų15175%0.75279%0.786SS**  trans-93.7143.5164.3177.80000108.2D533V531-D533 PolarHBondContact O-N 3.48Å
532E31.5Very low30.4Very low187 Ų187151.6 Ų151.687%0.87479%0.785SS**  trans-82.8106.1172.4-69.9-176.3125.600110.7
533D30.9Very low30.5Very low154 Ų154148 Ų14882%0.82479%0.788SS**PPolyproline II helixtrans-76.8144.2172.2-81-45.2000112V531V531-D533 PolarHBondContact O-N 3.48Å
534W34Very low30.7Very low243 Ų243149.2 Ų149.292%0.9279%0.793SS**PPolyproline II helixtrans-86.4145.1174.5-7761.7000111.1D536W534-D536 PolarHBondContact O-N 3.37Å
535P34.7Very low30.8Very low104 Ų104149.7 Ų149.768%0.67579%0.792SS**PPolyproline II helixtrans-70.8120.6-177-18.732.4000113.5
536D30.5Very low31.1Very low131 Ų131152.5 Ų152.570%0.70179%0.79SS**PPolyproline II helixtrans-75.1146.8160.1-170.4-4.4000109.8W534 S538W534-D536 PolarHBondContact O-N 3.37Å; D536-S538 PolarHBondContact OD1-OG 3.41Å
537W33.9Very low31.2Very low240 Ų240150.2 Ų150.291%0.90979%0.794SS**  trans-135.377.2176.6-78.598.3000110
538S30.3Very low31.2Very low83 Ų83146.3 Ų146.358%0.5879%0.787SS**  trans-131.7124.5169.150.40000111.1D536D536-S538 PolarHBondContact OD1-OG 3.41Å
539E31.1Very low31.1Very low173 Ų173147 Ų14781%0.80879%0.791SS**  trans65.6146.3172.4-69.3-172.7-147.700116.8
540N30.9Very low31Very low119 Ų119149.4 Ų149.464%0.63680%0.797SS**  cis-151.5159.6-0.1-108.1-35.2000110V542N540-V542 HydrophobicContact CB-CG2 4.5Å
541D29.3Very low30.8Very low165 Ų165149.2 Ų149.288%0.88279%0.793SS**  trans-148.5144141.2-154.1-7.2000110.3
542V32.5Very low30.5Very low120 Ų120151.8 Ų151.873%0.72780%0.797SS**  trans-145.4115.3-162.9-172.40000112.9N540N540-V542 HydrophobicContact CB-CG2 4.5Å
543G30.3Very low30.5Very low72 Ų72149.8 Ų149.874%0.74279%0.79SS**  trans130.5141.4169.400000112.9
544E29.7Very low30.2Very low197 Ų197150.3 Ų150.392%0.92179%0.788SS**  cis-148.6174.3-5.3-135.8-175.9-171.600110.8
545S29.7Very low30.1Very low97 Ų97146.7 Ų146.768%0.67878%0.784SS**  trans-61.9150.7-161.669.20000117.3
546R29.7Very low29.8Very low223 Ų223150.1 Ų150.184%0.84279%0.792SS**  -170133113.3-104.9165-171.9-1693.2116.2
547N29.9Very low29.9Very low163 Ų163148.6 Ų148.687%0.87280%0.797SS**  trans60.8145.2157.6-63.9-1.7000119.2
548A30.6Very low29.8Very low97 Ų97142.8 Ų142.880%0.80279%0.793SS**  trans-115.3147.4-171.800000112.5
549Q28.1Very low29.8Very low196 Ų196148.2 Ų148.292%0.91681%0.809SS**  trans-152.1115.4154.5-122.1168.3-21.500110.3
550S29.1Very low29.9Very low114 Ų114143.4 Ų143.480%0.79781%0.806SS**  trans-94.2122.9178.253.80000110.5
551V26.8Very low29.9Very low132 Ų132144.1 Ų144.180%0.881%0.814SS**  trans-99.2107.3175.5-177.50000109.6I553V551-I553 HydrophobicContact CG1-CG1 4.42Å
552H26.5Very low30Very low178 Ų178143.3 Ų143.382%0.82481%0.81SS**  trans-83135.5161.7-90.2-52.9000109.4
553I31.3Very low29.9Very low144 Ų144141.6 Ų141.674%0.73881%0.808SS**  trans-104.5120.4164.1-60.6178.2000107V551V551-I553 HydrophobicContact CG1-CG1 4.42Å
554H24.8Very low29.9Very low166 Ų166146.4 Ų146.477%0.76982%0.815SS**  trans-92.8144.3165.7-110.337000108.8
555I32.4Very low29.9Very low166 Ų166140.3 Ų140.385%0.85181%0.805SS**  trans-117.4117.6166.8-61.1176.5000105.5
556E29.1Very low29.9Very low177 Ų177141.5 Ų141.583%0.82781%0.813SS**  trans-118.9146.2-176.2-164164-129.800108.8
557A31.9Very low29.7Very low98 Ų98136.7 Ų136.781%0.8181%0.814SS**  trans-124.2144.9-173.800000110.7
558S31.5Very low29.8Very low119 Ų119136.8 Ų136.883%0.83281%0.813SS**  trans-145132.9-179.4590000111.5
559E31.3Very low30.6Very low197 Ų197137.7 Ų137.792%0.92181%0.811SS**  trans-77.8159.8173.2-62.4173118.500111.1
560G31.8Very low30.8Very low72 Ų72135.1 Ų135.174%0.74280%0.804SS**  trans-89.4-164.6-170.800000115.5
561V31.9Very low31Very low133 Ų133137 Ų13781%0.80680%0.8SS**  trans172.5125.2145.4148.30000112
562D30.1Very low31.2Very low149 Ų149137.2 Ų137.280%0.79780%0.797SS**  trans54.9114.8146.3-61.1-6.8000126.9
563A31.5Very low31.6Very low83 Ų83131.9 Ų131.969%0.68678%0.783SS**  98137.8108.900000124.6
564I29.7Very low31.9Very low174 Ų174133.7 Ų133.789%0.89279%0.789SS**  trans68.7137.2160.6-57.4148.4000115.9
565G29.2Very low32.1Very low68 Ų68134.7 Ų134.770%0.70179%0.794SS**  cis143.2159.40.200000110.9
566S30Very low32.4Very low122 Ų122135.2 Ų135.285%0.85379%0.793SS**  cis178.3132.5-13.347.90000110
567S26.6Very low34Very low123 Ų123131.1 Ų131.186%0.8678%0.781SS**  trans-158.7149.4176.555.60000116.3
568L31.4Very low34.1Very low164 Ų164136.8 Ų136.886%0.85978%0.782SS**  trans-135.4161.5175.5-77.6167.3000109.7
569P47.4Very low34.2Very low117 Ų117137 Ų13776%0.7677%0.773SS**  -131.9152.689.612.810.3000113.1
570N33.1Very low34.8Very low142 Ų142134.4 Ų134.476%0.75977%0.766SS**  64.4138.170.2-136.845.6000112.7
571E32.8Very low34.9Very low154 Ų154138.3 Ų138.372%0.7276%0.763SS**  cis-121.5-169.120.4-55.8166-172.700111.3
572N30.2Very low34.9Very low136 Ų136140.2 Ų140.273%0.72776%0.763SS**  cis-151.6-173.75.7-151.1-66.4000110.4
573A36.3Very low35.6Very low65 Ų65140.3 Ų140.354%0.53776%0.764SS.*  trans-110.3-168.7-176.600000112.1
574E37.3Very low36.5Very low182 Ų182142.3 Ų142.385%0.8577%0.77SS**  cis-151.3-172.48.8-144.3122.6-114.100106.8
575E28.9Very low36.9Very low187 Ų187142.6 Ų142.687%0.87477%0.767SS**  cis-144.7166.418.7-59.2173.2100.800111.4
576E39Very low38.3Very low178 Ų178144 Ų14483%0.83276%0.764SS**  trans-156.9-169.5172.8-130-173-143.800106.4
577P61.8Low38.2Very low90 Ų90144.1 Ų144.158%0.58476%0.76SS**  cis-130.2-109.4-30.136.1-13.8000111.6
578W34.9Very low38.4Very low217 Ų217143.1 Ų143.182%0.82275%0.752SS**  trans92135.9176.8-52.1115.2000117.8
579D34Very low38.4Very low123 Ų123141.4 Ų141.466%0.65874%0.744SS**  cis-160.7179.4-23.7-152.7-2.1000110.7
580D42Very low37.6Very low144 Ų144143.4 Ų143.477%0.7775%0.748SS**  trans-97.9-151.1-165.2-151.8-21.8000116
581F34Very low37.5Very low153 Ų153142 Ų14267%0.67175%0.749SS**  trans97.1137166.2-62.6-83000117.8
582E33Very low38.5Very low173 Ų173140 Ų14081%0.80875%0.749SS**  cis-158158.93.4-150.7160.2-14000113.5
583D43.6Very low38.4Very low152 Ų152139.9 Ų139.981%0.81375%0.754SS**  trans-105.1158.7175.9-102.6-36.8000111.8
584P52Low38.3Very low125 Ų125141 Ų14181%0.81276%0.763SS**  -163.1-176.29142.7-20.2000119.6
585E36.9Very low38.7Very low180 Ų180138.5 Ų138.584%0.84176%0.762SS**  trans-84.5-153.4178.4-34.2176120.200114.9
586P58.2Low38.9Very low97 Ų97135.1 Ų135.163%0.6376%0.759SS**  cis-139.7-168.3-21.326.3-0.4000116.4
587T29.6Very low38.5Very low125 Ų125130.9 Ų130.977%0.76776%0.755SS**  trans102.7137.214972.60000123.3
588S31Very low37.1Very low101 Ų101133.9 Ų133.971%0.70677%0.766SS**  trans52151.7141.7-770000122.7
589D29.6Very low36.9Very low128 Ų128127.5 Ų127.568%0.68476%0.755SS**  cis-162.5161.8-5-121.2-49.1000112.8
590L31.8Very low36.9Very low159 Ų159128.7 Ų128.783%0.83276%0.76SS**  trans55.4148.8153.8-62.9172.5000124.1
591S31.4Very low36.4Very low112 Ų112128.4 Ų128.478%0.78376%0.757SS**  trans-91.2-166.2171.5-39.30000111.2
592P52.7Low36.2Very low113 Ų113127.8 Ų127.873%0.73476%0.76SS**  cis-146.1-166.35.635.9-10.6000117.7
593T29.2Very low36Very low134 Ų134125 Ų12582%0.82276%0.755SS**  trans104.6135.5146.3-17.60000119.3
594A33.7Very low36.5Very low87 Ų87123.2 Ų123.272%0.71975%0.752SS**  trans-94.9-173.2167.700000110.3
595P46.1Very low35.3Very low130 Ų130121.9 Ų121.984%0.84475%0.745SS**  cis-141.8-168.645.740.4-18.3000116.1
596S32.1Very low35Very low116 Ų116123.1 Ų123.181%0.81174%0.742SS**  trans-97.2158.8-169.753.60000116.4
597A31.9Very low33.5Very low89 Ų89128.6 Ų128.674%0.73675%0.75SS**  trans-163.3131.5143.500000113.4
598D31.9Very low33.5Very low153 Ų153126.5 Ų126.582%0.81874%0.741SS**  trans24.9151.8131.5-72.8-61.1000123.5
599S31.1Very low33.3Very low84 Ų84127.3 Ų127.359%0.58774%0.742SS**  cis-168.1163.9-7.3-121.90000112.3
600L33.6Very low33.3Very low148 Ų148126.9 Ų126.978%0.77574%0.744SS**  trans15.5150.2132.2-47.5175.2000119.3
601I31.9Very low33Very low137 Ų137125 Ų12570%0.70374%0.739SS**  cis-174.7166.217.8-134.9174.3000114.8
602L29.6Very low32.9Very low140 Ų140124.3 Ų124.373%0.73373%0.734SS**  trans56.3120.7155.5-62.1172.4000125
603T27.9Very low31.7Very low114 Ų114123 Ų12370%0.69973%0.733SS**  7.7170.8114.765.30000122.1
604P54.4Low31.7Very low116 Ų116123.1 Ų123.175%0.75373%0.729SS**  cis-137.1-163.7-29.533-11.2000113
605S27.3Very low31.5Very low96 Ų96127.1 Ų127.167%0.67173%0.733SS**  135.9123.6117.3-159.10000118
606R30.3Very low30.8Very low207 Ų207127.7 Ų127.778%0.78173%0.727SS**  trans61.8144.3141-91.5-177.6165.9172.2-1.6123.4
607R26Very low30.5Very low212 Ų212128.7 Ų128.780%0.873%0.728SS**  trans72.3150.1147.3-78.5-176.8178.6165.6-1.8117.4
608S29.1Very low30.3Very low80 Ų80133.2 Ų133.256%0.55973%0.734SS**  cis-178.1165.4-27.450.70000107.4
609T27.8Very low30Very low119 Ų119129.8 Ų129.873%0.7373%0.727SS**  trans62.9137.9154.645.10000116
610T28.9Very low29.7Very low119 Ų119133.6 Ų133.673%0.7374%0.74SS**  cis-158.8-179.719.7-13.50000110.6
611T27.1Very low29.4Very low118 Ų118132.8 Ų132.872%0.72474%0.742SS**  trans-25.3153.7150.554.80000115.3
612S27.2Very low29Very low98 Ų98132.8 Ų132.869%0.68574%0.742SS**  cis-153.4164.328.1-200000109.8
613A29.1Very low28.7Very low87 Ų87134.8 Ų134.872%0.71975%0.745SS**  48.3135.876.900000113.8
614D27.8Very low28.6Very low136 Ų136134.5 Ų134.573%0.72775%0.747SS**  cis-163.4-175.62.3-142.5-42000110.4
615Q29.6Very low27.3Very low171 Ų171133.5 Ų133.580%0.79974%0.743SS**  trans71.3131.2171.3-60.1166.56.200115.3
616I31.8Very low27.5Very low142 Ų142137.4 Ų137.473%0.72875%0.748SS**  cis76.192.435.4-50.2166.3000113.6
617T25.8Very low27.4Very low136 Ų136133.6 Ų133.683%0.83475%0.75SS**  -167.6166.7124.6100000112.1
618E27.1Very low27.5Very low185 Ų185131.4 Ų131.486%0.86475%0.753SS**  trans-72.3168.8-178.5-57.9160.1108.900111.5
619A25.6Very low27.4Very low81 Ų81135.9 Ų135.967%0.66976%0.763SS**  cis-165.6161.834.300000114.9
620L26.7Very low27.5Very low164 Ų164137.5 Ų137.586%0.85977%0.766SS**  trans43.5112.9144.8-65166.4000120.1
621T25.7Very low27.5Very low131 Ų131137.1 Ų137.180%0.80476%0.764SS**  -165.9148.3116.512.50000115.2
622L25.1Very low27.7Very low136 Ų136136.2 Ų136.271%0.71276%0.762SS**  trans46.8101.7146.6-68.6163.1000121.5
623K23.2Very low27.9Very low183 Ų183135.3 Ų135.380%0.79676%0.761SS**  50.6109.6120.4-67.1-177.6-178.8176.90119.4
624S25.3Very low27.9Very low107 Ų107137.6 Ų137.675%0.74876%0.76SS**  113.7128.7107.871.80000121.1
625S27Very low28Very low95 Ų95139.8 Ų139.866%0.66476%0.76SS**  trans73.9120.1142.146.20000122.7
626K31.8Very low28.1Very low179 Ų179139 Ų13978%0.77876%0.756SS**  trans72.799.3136.7-63.4171.2-178.1179.20118.9
627P28Very low28.1Very low127 Ų127136.7 Ų136.783%0.82575%0.753SS**PPolyproline II helix-64.1147.2129.332.7-34000109.9
628L27.2Very low28.4Very low165 Ų165135.5 Ų135.586%0.86475%0.745SS**PPolyproline II helixtrans-85.1119.3176.8-79.8166.5000111.3
629K28.6Very low28.8Very low175 Ų175136 Ų13676%0.76175%0.747SS**PPolyproline II helixtrans-74162.8151.9-68.7-176.7172.1-174.90109.3
630L28.7Very low28.9Very low153 Ų153135.6 Ų135.680%0.80175%0.751SS**  -163.8114.4108.6-114.578.3000107.2
631T29.5Very low29Very low110 Ų110137.4 Ų137.468%0.67575%0.752SS**  74.5159.691.461.70000114.2
632S30.5Very low29.2Very low99 Ų99136.2 Ų136.269%0.69275%0.75SS**  cis-143145.81639.20000110.3
633A32.5Very low29.4Very low80 Ų80134.6 Ų134.666%0.66176%0.756SS**  63.5142.660.900000112.1
634L29.6Very low29.6Very low135 Ų135131.6 Ų131.671%0.70776%0.758SS**  cis-124.2-164.830.8-74.966.9000112.1
635Y28.5Very low29.7Very low182 Ų182131.8 Ų131.871%0.71476%0.759SS**  cis-151.8162.81.2-122-20.6000114.3
636Q32.4Very low29.8Very low153 Ų153134.2 Ų134.272%0.71576%0.764SS**  trans7.6164.8148.6-72.1165.7-2.100125.3
637S31.7Very low29.6Very low95 Ų95132.3 Ų132.366%0.66476%0.762SS**  cis170.1154.1-23.7-162.10000108.3
638T32.5Very low29.6Very low110 Ų110133.1 Ų133.168%0.67576%0.76SS**  -176.3142.463.731.90000114.7
639Q35Very low29.6Very low195 Ų195131.7 Ų131.791%0.91175%0.753SS**  trans55.7142.6143.8-57.9-1781000122.5
640G27.6Very low29.5Very low73 Ų73133.3 Ų133.375%0.75375%0.754SS**  cis163.7156.7-14.800000118.3
641K29.2Very low29.7Very low203 Ų203130 Ų13088%0.88374%0.744SS**  trans77.896.4150.1-69.3-171.2175.1-176.60124.7
642S29.9Very low29.7Very low106 Ų106132 Ų13274%0.74175%0.745SS**  62.9101.5115.167.20000125.3
643A28.2Very low29.6Very low102 Ų102135 Ų13584%0.84375%0.746SS**  65.4112.3110.300000125.3
644S28.3Very low29.6Very low120 Ų120136.8 Ų136.884%0.83974%0.744SS**  trans176.6168.1143.754.40000109.8
645S26.8Very low29.7Very low110 Ų110138.6 Ų138.677%0.76975%0.747SS**  cis-161.4-177.4-33.658.90000109.7
646L30.3Very low29.7Very low147 Ų147138.6 Ų138.677%0.7775%0.753SS**  trans-77.6165.5165.2-69.577000110.4
647D26.9Very low29.6Very low138 Ų138140 Ų14074%0.73876%0.757SS**  cis-157.517240.1-99.5-42.3000114.9
648D28.6Very low30.4Very low145 Ų145140.5 Ų140.578%0.77576%0.758SS**  trans41.1112.3153.4-76.3-12.7000125.4
649D26.3Very low30.3Very low134 Ų134142 Ų14272%0.71776%0.761SS**  48.2168.2116.8-156.426.4000124.6
650W27.5Very low30.1Very low210 Ų210137.4 Ų137.480%0.79575%0.751SS**  trans10065.6167.5-69.480000121.5
651S31.6Very low31.4Very low83 Ų83139.4 Ų139.458%0.5875%0.751SS**  74.7134.6117.278.50000124.7
652Q30.8Very low31.3Very low152 Ų152135.6 Ų135.671%0.7175%0.749SS**  trans83.8135.8136.3-90.7-170.79.600124.9
653K28.1Very low31.3Very low163 Ų163134.8 Ų134.871%0.70975%0.749SS**  trans78.1146.1144.9-74.8164.6175.3150.60120.3
654D31.5Very low32.3Very low117 Ų117135.3 Ų135.363%0.62674%0.744SS**  cis-171.5152.9-28.3-132.3-30.5000112.1
655F31.5Very low32.4Very low173 Ų173136.1 Ų136.176%0.75974%0.743SS**  trans57.8166.8169.6-65-70.6000118
656Q28.6Very low33.6Very low182 Ų182135.7 Ų135.785%0.8574%0.738SS**  cis-153.3173.912.1-143.8158.84400113.6
657K31.3Very low33.8Very low181 Ų181138.2 Ų138.279%0.78774%0.743SS**  trans-100-171.7176.4-129.7-180177.2176.60110
658P48.8Very low33.9Very low106 Ų106136.1 Ų136.169%0.68874%0.739SS**  cis-143.6173.8-8.637.4-14.6000119.5
659L30.2Very low34Very low141 Ų141135 Ų13574%0.73874%0.738SS**  trans33.4122.8146.7-78.484.3000125.5
660S31Very low34.2Very low100 Ų100134.9 Ų134.970%0.69974%0.742SS**  29.6169.6122.375.60000124.2
661P53.9Low35.1Very low115 Ų115129.7 Ų129.775%0.74774%0.735SS**  cis-142.9-161.72.644.1-23.5000117
662S27.3Very low35.1Very low122 Ų122132 Ų13285%0.85375%0.746SS**  trans111.6168.4154.378.80000121.4
663A30.9Very low35.1Very low89 Ų89133.6 Ų133.674%0.73675%0.75SS**  trans-142.9-158.8-163.200000111.8
664P48Very low35.2Very low113 Ų113130.5 Ų130.573%0.73475%0.749SS**  cis-145.5155-9.342.5-22.6000119.7
665V31.1Very low35.2Very low137 Ų137131.6 Ų131.683%0.8376%0.755SS**  trans61.4171.7131.3175.20000120.6
666P52.2Low35.3Very low101 Ų101134 Ų13466%0.65676%0.759SS**  cis-128.4-166.8-26.537.8-17.9000117.6
667K32.9Very low35.5Very low200 Ų200131.9 Ų131.987%0.8776%0.759SS**  trans79.6148.5154.5-72.5176.3-170.1-177.60119.7
668S30.6Very low35.5Very low95 Ų95127.1 Ų127.166%0.66476%0.761SS**  cis-170.1157.6-8.8177.80000115
669T29.9Very low34.8Very low121 Ų121126 Ų12674%0.74277%0.768SS**  trans70.6103.7149310000126.4
670V31.7Very low35Very low132 Ų132128.1 Ų128.180%0.878%0.78SS**  32.1133.9108.4-1720000119.1
671P44.4Very low35.5Very low101 Ų101126.8 Ų126.866%0.65678%0.781SS**  -159.4156.862.742-19.5000123.2
672T32.8Very low34.8Very low131 Ų131128.4 Ų128.480%0.80478%0.784SS**  trans63.2157.7148.155.20000121.4
673K30.7Very low35.7Very low185 Ų185130.5 Ų130.580%0.80478%0.78SS**  cis-159.3151.44.6-135.2177.8-175.8-177.60114.1
674S30.7Very low36Very low99 Ų99134.4 Ų134.469%0.69278%0.781SS**  trans57.1118.8147.558.60000125.7
675D30.8Very low35.5Very low139 Ų139134.5 Ų134.574%0.74378%0.779SS**  trans87122.9133.4-93.2-48.1000125.5
676R33.2Very low35.9Very low224 Ų224135.4 Ų135.485%0.84578%0.778SS**  trans41.5125.7145-70.7168.6178.1-132.1-4.3119.4
677T33.1Very low35Very low137 Ų137139.7 Ų139.784%0.8479%0.786SS**  -169.4143.752-54.10000112
678G31.9Very low35.2Very low81 Ų81136.5 Ų136.584%0.83578%0.783SS**  trans70.4117.4146.100000119.9
679G34.5Very low35.3Very low82 Ų82141.9 Ų141.985%0.84580%0.795SS**  trans170.9122.6167.700000111.1
680L33.3Very low35.9Very low187 Ų187144.6 Ų144.698%0.97980%0.796SS**  trans-117.9137.7177.7-92.5165.8000109.5
681G41Very low35.8Very low71 Ų71146.5 Ų146.573%0.73279%0.794SS**  trans106.790171.900000114.1
682D38.6Very low35.8Very low149 Ų149146.7 Ų146.780%0.79779%0.793SS**  trans-151.2140.2154.6-108.4-31.6000108.9F684D682-F684 HydrophobicContact CB-CE2 3.97Å
683E47.4Very low35.9Very low166 Ų166148 Ų14878%0.77679%0.79SS**  trans-95.4129.9-174.5-178.6-160.415600111
684F36.1Very low36.4Very low171 Ų171148.4 Ų148.475%0.7580%0.795SS**  trans-139.2114.3171.4-72.5-69.4000114.8D682 I686D682-F684 HydrophobicContact CB-CE2 3.97Å; F684-I686 PolarHBondContact O-N 2.79Å
685T37.7Very low36.7Very low115 Ų115151 Ų15171%0.70680%0.801SS**PPolyproline II helixtrans-66.8123.5165.3-71.40000111
686I39.7Very low37.3Very low156 Ų156148.9 Ų148.980%0.880%0.795SS**PPolyproline II helixtrans-103.6124.9173.4-61.2-179.9000110.2F684F684-I686 PolarHBondContact O-N 2.79Å
687K33.2Very low37.9Very low192 Ų192147.8 Ų147.884%0.83580%0.799SS**PPolyproline II helixtrans-88.9128.3177.8-71.2-179.7176.9176.20111.5
688V37.8Very low38.4Very low132 Ų132148 Ų14880%0.879%0.794SS**PPolyproline II helixtrans-74.4142-178.9176.60000112.2
689K32.5Very low39.7Very low209 Ų209149.7 Ų149.791%0.90978%0.784SS**  trans-141.587.5154.6-106.2-170.5179-175.60113.4
690K43Very low40.6Very low177 Ų177152.5 Ų152.577%0.7778%0.779SS**  trans11.4120.5147.2-167169.9-171.4171.50118V692K690-V692 HydrophobicContact CG-CG2 4.43Å
691K29.2Very low41.4Very low172 Ų172151.3 Ų151.375%0.74877%0.766SS**  trans-104.5156.3140-166.3-169170.2-1330107.4E693K691-E693 IonicContact NZ-OE1 3.36Å; K691-E693 PolarHBondContact NZ-OE1 3.36Å
692V44.4Very low42Very low105 Ų105151 Ų15164%0.63676%0.757SS**  trans-98.1130176.21760000109.7K690K690-V692 HydrophobicContact CG-CG2 4.43Å
693E35.8Very low42.8Very low160 Ų160151.8 Ų151.875%0.74876%0.761SS**  trans-142.2167155.4-119.5132.7-12100106.5K691K691-E693 IonicContact NZ-OE1 3.36Å; K691-E693 PolarHBondContact NZ-OE1 3.36Å
694Q40.7Very low42.8Very low193 Ų193151.3 Ų151.390%0.90276%0.761SS**  trans-102.3108-161.9-170.2169.8-3.200110.4
695D36.5Very low43.8Very low153 Ų153148.9 Ų148.982%0.81876%0.76SS**PPolyproline II helixtrans-72.6133.2-178-103.2-32.8000111.6
696P43.8Very low44.2Very low95 Ų95148.4 Ų148.462%0.61776%0.759SS**PPolyproline II helixtrans-74.9150.3163.633.2-33000110.4L698P696-L698 PolarHBondContact O-N 2.87Å
697E46Very low44.3Very low201 Ų201146.6 Ų146.694%0.93975%0.75SS**PPolyproline II helixtrans-64.4126.5176.6-63.8-175.8132.300110.8D699E697-D699 PolarHBondContact O-N 3.4Å
698L43.8Very low45Very low142 Ų142144.1 Ų144.174%0.74375%0.745SS**  trans-82.5110178.4-69.5170.8000110.2P696 L700P696-L698 PolarHBondContact O-N 2.87Å; L698-L700 HydrophobicContact CB-CD1 3.8Å; L698-L700 PolarHBondContact O-N 3.09Å
699D58.2Low45.1Very low115 Ų115145.1 Ų145.162%0.61574%0.738SS**  trans-66.895.7163.8-178.2-6.8000109.4E697 F701E697-D699 PolarHBondContact O-N 3.4Å; D699-F701 PolarHBondContact O-N 3.19Å; D699-F701 VanDerWaalsContact O-N 3.11Å; D699-F701 PolarHBondContact OD1-N 3.26Å; D699-F701 VanDerWaalsContact OD1-N 3.08Å
700L53.7Low45.5Very low141 Ų141143 Ų14374%0.73874%0.736SS**THydrogen-bonded Turntrans-72.44.8-176.1-111.286000114.6L698L698-L700 HydrophobicContact CB-CD1 3.8Å; L698-L700 PolarHBondContact O-N 3.09Å
701F49.4Very low45Very low163 Ų163140.1 Ų140.172%0.71574%0.738SS**THydrogen-bonded Turntrans-120.6-3.9-178.4-68.8-79.4000114.9D699 D703 M704D699-F701 PolarHBondContact O-N 3.19Å; D699-F701 VanDerWaalsContact O-N 3.11Å; D699-F701 PolarHBondContact OD1-N 3.26Å; D699-F701 VanDerWaalsContact OD1-N 3.08Å; F701-D703 VanDerWaalsContact C-N 3.3Å; F701-D703 PolarHBondContact O-N 3.42Å; F701-M704 PolarHBondContact O-N 3.3Å
702A54.6Low45.4Very low65 Ų65137.4 Ų137.454%0.53774%0.741SS.*THydrogen-bonded Turntrans-57.7-32.7-172.800000115.4
703D55.8Low44.8Very low164 Ų164138.4 Ų138.488%0.87775%0.748SS**THydrogen-bonded Turntrans-96.66.2-175.5-77.9-30.8000114.6F701 V705F701-D703 VanDerWaalsContact C-N 3.3Å; F701-D703 PolarHBondContact O-N 3.42Å; D703-V705 VanDerWaalsContact C-N 3.32Å; D703-V705 PolarHBondContact O-N 3.21Å; D703-V705 VanDerWaalsContact O-N 3.1Å
704M46.3Very low44.6Very low156 Ų156137.1 Ų137.177%0.76875%0.75SS**  trans-87.556-177.1-80.1-75.8-73.100113.6F701F701-M704 PolarHBondContact O-N 3.3Å
705V57.9Low44.2Very low121 Ų121135.3 Ų135.373%0.73375%0.746SS**  trans-105.7121.3173.7-177.80000110.8D703 D707D703-V705 VanDerWaalsContact C-N 3.32Å; D703-V705 PolarHBondContact O-N 3.21Å; D703-V705 VanDerWaalsContact O-N 3.1Å; V705-D707 PolarHBondContact O-N 2.98Å
706P46.8Very low43.9Very low105 Ų105135.6 Ų135.668%0.68275%0.747SS**  trans-74.7116178.629-33.3000112I708P706-I708 PolarHBondContact O-N 3.02Å; P706-I708 VanDerWaalsContact O-N 3.11Å
707D40.5Very low43.4Very low117 Ų117136.9 Ų136.963%0.62676%0.755SS**  trans-80.284.8178.7-179.324000111.6V705 K709V705-D707 PolarHBondContact O-N 2.98Å; D707-K709 PolarHBondContact O-N 3.28Å; D707-K709 WeakPolarHBondContact OD2-CE 3.26Å; D707-K709 IonicContact OD2-NZ 3.8Å; D707-K709 PolarHBondContact OD2-NZ 3.16Å
708I48.9Very low42.5Very low140 Ų140135.4 Ų135.472%0.71875%0.753SS**  trans-74.784.1-176-53.1178.7000111.1P706 L710P706-I708 PolarHBondContact O-N 3.02Å; P706-I708 VanDerWaalsContact O-N 3.11Å; I708-L710 PolarHBondContact O-N 3.22Å
709K39.2Very low41.9Very low153 Ų153137.1 Ų137.167%0.66576%0.757SS**  trans-77.697.8170.7-71.3-174.3173.2106.90111.7D707 S711D707-K709 PolarHBondContact O-N 3.28Å; D707-K709 WeakPolarHBondContact OD2-CE 3.26Å; D707-K709 IonicContact OD2-NZ 3.8Å; D707-K709 PolarHBondContact OD2-NZ 3.16Å; K709-S711 PolarHBondContact O-N 3.12Å; K709-S711 PolarHBondContact O-OG 3.34Å
710L41Very low40.4Very low166 Ų166140.6 Ų140.687%0.86977%0.769SS**  trans-53.9110167.8-69.7174.3000110.1I708I708-L710 PolarHBondContact O-N 3.22Å
711S33.3Very low39.3Very low115 Ų115144.9 Ų144.980%0.80478%0.776SS**PPolyproline II helixtrans-93.6140-179.9-65.30000111.1K709K709-S711 PolarHBondContact O-N 3.12Å; K709-S711 PolarHBondContact O-OG 3.34Å
712S36.2Very low38.2Very low115 Ų115142.7 Ų142.780%0.80478%0.78SS**PPolyproline II helixtrans-66.3151.4-161.6-50.80000115.9V714S712-V714 PolarHBondContact O-N 3.06Å
713T33.3Very low37Very low127 Ų127145.2 Ų145.278%0.77979%0.789SS**PPolyproline II helixtrans-50.8130.8165.6-45.90000112.2L715T713-L715 HydrophobicContact CG2-CG 4.32Å
714V31.2Very low35.8Very low133 Ų133145.3 Ų145.381%0.80678%0.784SS**  trans-88.2114.2164.8177.40000108.7S712S712-V714 PolarHBondContact O-N 3.06Å
715L31.5Very low35Very low154 Ų154143.8 Ų143.881%0.80678%0.783SS**  trans-104.1137.6165.3-77.4169.8000109.3T713T713-L715 HydrophobicContact CG2-CG 4.32Å
716L30.3Very low33.6Very low160 Ų160142.7 Ų142.784%0.83879%0.787SS**  trans-77.5151.4170-73.2172.8000110.5
717P33.6Very low32.7Very low122 Ų122141 Ų14179%0.79279%0.788SS**  trans-80.5148.4-169.232.2-36.1000113.2
718L26.7Very low32.2Very low170 Ų170141.8 Ų141.889%0.8980%0.797SS**  trans-128.8149.4154.3-167.662.9000108.4
719E30.5Very low31.2Very low177 Ų177140.2 Ų140.283%0.82780%0.798SS**  trans-72.4144.7-174.1-55.717496.600112.4
720E28.3Very low30.7Very low189 Ų189137 Ų13788%0.88380%0.801SS**  -164.9109.2122.9-110.6179.3-174.700114.9
721R29.9Very low30.3Very low231 Ų231134.8 Ų134.887%0.87279%0.794SS**  trans33102.1134-155.2177-157.9157.85.3120.1
722S26.7Very low30.1Very low116 Ų116138.5 Ų138.581%0.81180%0.796SS**  trans-77.5137.3163.6176.30000113.2
723V29.6Very low29.8Very low118 Ų118137.7 Ų137.772%0.71579%0.79SS**  trans-140.7100163.3-175.60000111.7
724H29.6Very low29.6Very low167 Ų167137 Ų13777%0.77378%0.782SS**  trans32.5132.2139.1-83-71.1000124.1
725V30.1Very low29.6Very low124 Ų124138.3 Ų138.375%0.75278%0.777SS**  trans93.693.2133.6174.20000120.3
726A29.1Very low29.5Very low98 Ų98136.3 Ų136.381%0.8177%0.771SS**  47.4137.2119.800000123.8
727G27.4Very low29.5Very low68 Ų68135.1 Ų135.170%0.70177%0.765SS**  trans95.8146.6162.500000114.3
728T28.8Very low29.3Very low135 Ų135137.3 Ų137.383%0.82876%0.764SS**  cis-157.6170.3-6.9-20.20000110.4
729S28Very low29.5Very low106 Ų106136 Ų13674%0.74176%0.755SS**  trans-24.3155.8162.352.70000119.1
730A30.6Very low29.4Very low86 Ų86134 Ų13471%0.71175%0.75SS**  cis178.4-165.1-10.500000109.1
731V30.7Very low29.6Very low120 Ų120130 Ų13073%0.72774%0.743SS**  trans81.4111149.4164.90000119.8
732F29.5Very low29.6Very low192 Ų192123.4 Ų123.484%0.84274%0.738SS**  trans53.4-172.9143.5-71.2-110.4000118
733S30.5Very low30Very low98 Ų98125.9 Ų125.969%0.68574%0.741SS**  -160.7176.8-67.966.80000107.7
734D28.6Very low30.1Very low113 Ų113126.8 Ų126.860%0.60474%0.741SS**  cis-165.8164.66.6-165.45.4000109.4
735K32.7Very low30.1Very low161 Ų161124 Ų12470%0.774%0.736SS**  trans61.9159.8155.6-83.5172.9-175.7870119.7
736T28.6Very low30.1Very low112 Ų112124 Ų12469%0.68774%0.736SS**  cis-167.2179.6-27.119.50000109.6
737L30.5Very low30.1Very low135 Ų135124.4 Ų124.471%0.70773%0.729SS**  trans88.2114.9163.9-49.3-173.9000114.5
738E29.3Very low30.3Very low168 Ų168129 Ų12979%0.78574%0.736SS**  81.9140.368.3-75.4175.3-173.700112.1
739M30.4Very low30.5Very low141 Ų141129.2 Ų129.270%0.69574%0.738SS**  cis-158.7157.317.7-166.6140.3163.700112.8
740D28.7Very low30.6Very low135 Ų135128.4 Ų128.472%0.72274%0.738SS**  trans56.1156154.9-72.9-5.5000121.8
741S32.5Very low30.7Very low105 Ų105133.2 Ų133.273%0.73474%0.743SS**  cis-173.1167.5-22.761.90000107.3
742A30.8Very low30.7Very low93 Ų93137 Ų13777%0.76975%0.75SS**  cis-133-151.9-600000108
743I34.9Very low30.7Very low169 Ų169132.9 Ų132.987%0.86775%0.751SS**  cis-138.4161.823.7-80.2173.4000109.2
744D31.4Very low30.7Very low136 Ų136133.1 Ų133.173%0.72776%0.759SS**  trans-92172.6-166.2-144.2-33000116.1
745T28.2Very low30.8Very low109 Ų109132.2 Ų132.267%0.66977%0.767SS**  trans-31.5156168.949.30000117.1
746V30.4Very low30.7Very low123 Ų123132.4 Ų132.475%0.74578%0.776SS**  -160.4130.974.2154.80000114.8
747T29.8Very low31.3Very low108 Ų108132.6 Ų132.666%0.66378%0.779SS**  trans-8143.5143.6-15.80000119.6
748L31.9Very low31.4Very low163 Ų163131.7 Ų131.785%0.85378%0.784SS**  176.6118.6115.9-97.2166.8000114.2
749T33.1Very low31.5Very low140 Ų140133.1 Ų133.186%0.85979%0.791SS**  trans-99.6112.4161.216.50000109.9
750A30.5Very low31.5Very low90 Ų90131.3 Ų131.374%0.74480%0.798SS**  trans173.5124.4153.200000112.9
751K30.8Very low31.6Very low187 Ų187134.3 Ų134.381%0.81381%0.807SS**  trans174.5141.6154.9-99.6158.3-172.7177.30106.9
752F30.9Very low31.5Very low199 Ų199133.4 Ų133.487%0.87381%0.806SS**  cis-127.8149.413.9-73.4-100.6000112.6
753A29.7Very low31.5Very low105 Ų105136.7 Ų136.787%0.86881%0.811SS**  trans-151.3133.5161.200000109.5
754A30.8Very low31.3Very low104 Ų104131.4 Ų131.486%0.8680%0.798SS**  trans-171.2147.1176.700000109
755A31.8Very low31.4Very low93 Ų93137.7 Ų137.777%0.76981%0.812SS**  cis-159.3151.9-16.800000109.3
756N30.2Very low31.5Very low165 Ų165136 Ų13688%0.88282%0.816SS**  trans-94142.9176.8-70.3-4000111.9
757P41.7Very low31.7Very low116 Ų116138.7 Ų138.775%0.75383%0.826SS**  trans-89.7127.6161.533.5-28.9000111.8
758S31.5Very low31.9Very low116 Ų116136.2 Ų136.281%0.81182%0.822SS**  trans10.3118.6158.656.90000120.1
759E31.4Very low31.9Very low199 Ų199136.4 Ų136.493%0.9382%0.824SS**  trans-72159.9152.5-65.3174.112700111.3
760A30.2Very low32.2Very low102 Ų102137.2 Ų137.284%0.84382%0.823SS**  trans-138.3145.6163.900000109.1
761E31.6Very low32.3Very low198 Ų198140 Ų14093%0.92583%0.825SS**  trans-75.1144.7-169.6-55166.1128.500112.9
762A29.8Very low32.5Very low86 Ų86137.2 Ų137.271%0.71182%0.819SS**  171.7144.5112.700000113.6
763D30.4Very low32.7Very low162 Ų162138.1 Ų138.187%0.86682%0.817SS**  trans52.6140.5152.7-61.5-28.4000122.2
764G30.7Very low32.7Very low58 Ų58140.7 Ų140.760%0.59881%0.811SS**  trans-118.4-129.3177.500000112.9
765W34.1Very low33Very low269 Ų269143 Ų143100%1.01981%0.809SS**  trans68.5139.4-164.2-46.687000112.6
766G29.7Very low33Very low72 Ų72146.8 Ų146.874%0.74281%0.81SS**  cis-164.3176.9-200000112.3
767D36.3Very low33.3Very low180 Ų180145.5 Ų145.596%0.96380%0.804SS**  trans-83.7148.7176.1-167.712.7000110.5
768G32.6Very low32.9Very low57 Ų57143.9 Ų143.959%0.58880%0.8SS**  trans150106.7173.900000118.5
769D32.7Very low33.1Very low167 Ų167154.1 Ų154.189%0.89382%0.821SS**  trans67.6153.5140.9-61.7-10.2000123.5
770D39.3Very low33.2Very low156 Ų156151.9 Ų151.983%0.83482%0.816SS**  trans-53.4159.8179-60.5-60.3000115.3
771L32.8Very low33.3Very low150 Ų150154.5 Ų154.579%0.78581%0.814SS**  -164.3120.5124.1-106.6176000112.5
772N34.4Very low33.4Very low128 Ų128152.1 Ų152.168%0.68481%0.808SS**  trans-95.3130.1167.9169.290.5000110
773W34.6Very low33.6Very low218 Ų218156 Ų15683%0.82681%0.814SS**  trans-141.7140163-80.9109.2000112.5
774E31.1Very low33.8Very low159 Ų159155.6 Ų155.674%0.74381%0.81SS**  trans-86.4179.8173.1-62169.2128.300110.5
775D35.3Very low34Very low153 Ų153162.1 Ų162.182%0.81883%0.825SS**  trans7.5130.1161-64-20.7000119.8
776E33.1Very low34Very low171 Ų171154.5 Ų154.580%0.79981%0.811SS**  -167.8164.399.7-100.5-13088.900114.9
777N35Very low34.4Very low139 Ų139160.8 Ų160.874%0.74382%0.816SS**  trans-51.6145.2174.1-55.2-83.3000114.7
778A34Very low34.2Very low82 Ų82159.3 Ų159.368%0.67880%0.804SS**  175152.9110.400000113.8
779W35.5Very low34.3Very low331 Ų331168.5 Ų168.5100%1.25482%0.823SS**  trans75.50174.4-58.182.8000116.7

Retrieved 779 of 779 residues in 1160.5 ms (Link to these results)