A0A096NH10_PAPAN Loading...

Timeless circadian regulator

AlphaFold DB , UniProt , Accession A0A096NH10, Species PAPAN (Papio anubis, Olive baboon), Gene TIMELESS, Length 1,207 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.7Very low62.6Low154 Ų154103.4 Ų103.476%0.75953%0.533SS*.  099.50-71.9-62.5-98.800104.2
2D33.7Very low64.7Low125 Ų12599.3 Ų99.367%0.66853%0.525SS*.  trans-94.1148.1-168.7-46.7-45.5000108.4H4 M5D2-H4 PolarHBondContact O-N 2.87Å; D2-M5 PolarHBondContact O-N 3.24Å; D2-M5 VanDerWaalsContact O-N 3.1Å
3L43.8Very low66.7Low124 Ų12492.8 Ų92.865%0.64949%0.492SS*.G310 helixtrans-59.5-17.6-172.8-80.976.7000113.4M5 M6L3-M5 PolarHBondContact O-N 2.85Å; L3-M5 VanDerWaalsContact O-N 3.11Å; L3-M6 PolarHBondContact O-N 3.22Å
4H41Very low68.4Low190 Ų19087.1 Ų87.188%0.8846%0.463SS*.G310 helixtrans-67.30.9174.9-60.4-28.6000115.2D2D2-H4 PolarHBondContact O-N 2.87Å
5M51Low69.7Low142 Ų14286.7 Ų86.770%0.747%0.47SS*.G310 helixtrans-108.12.7175.8-102.2-168.868.700115.1D2 L3D2-M5 PolarHBondContact O-N 3.24Å; D2-M5 VanDerWaalsContact O-N 3.1Å; L3-M5 PolarHBondContact O-N 2.85Å; L3-M5 VanDerWaalsContact O-N 3.11Å
6M60.4Low71.1Confident20 Ų2082.9 Ų82.910%0.09945%0.454CS..SBendtrans-81.2146.3173.1-70.1175.264.600111.4L3 C8 L10 L11 Q54 A58L3-M6 PolarHBondContact O-N 3.22Å; M6-C8 PolarHBondContact O-N 3.44Å; M6-L10 HydrophobicContact CE-CD2 4.37Å; M6-L11 HydrophobicContact CB-CD1 3.85Å; M6-L11 HydrophobicContact CB-CD2 3.97Å; M6-L11 HydrophobicContact CB-CG 3.62Å; M6-L11 HydrophobicContact CE-CD2 3.69Å; M6-L11 HydrophobicContact CE-CG 4.18Å; M6-L11 HydrophobicContact CG-CD2 4.42Å; M6-L11 HydrophobicContact SD-CD2 3.66Å; M6-L11 HydrophobicContact SD-CG 4.37Å; M6-Q54 VanDerWaalsContact CA-OE1 3.28Å; M6-Q54 HydrophobicContact CB-CG 4.5Å; M6-Q54 HydrophobicContact CE-CB 4.07Å; M6-Q54 HydrophobicContact CG-CB 3.96Å; M6-Q54 HydrophobicContact CG-CG 3.95Å; M6-A58 HydrophobicContact CE-CB 3.83Å; M6-A58 HydrophobicContact SD-CB 4.05Å
7N75.4Confident72.3Confident82 Ų8278.1 Ų78.144%0.43943%0.428SS..  trans-60.8128.4175.6-68.2-36.4000109.6E9 L10 L11 D50 Q54N7-E9 VanDerWaalsContact C-N 3.26Å; N7-E9 PolarHBondContact O-N 2.84Å; N7-E9 VanDerWaalsContact O-N 3.17Å; N7-L10 HydrophobicContact CB-CB 4.29Å; N7-L10 WeakPolarHBondContact O-CB 3.32Å; N7-L10 PolarHBondContact O-N 3.04Å; N7-L11 PolarHBondContact O-N 2.86Å; N7-L11 VanDerWaalsContact O-N 3.08Å; N7-D50 PolarHBondContact ND2-OD2 3.26Å; N7-D50 VanDerWaalsContact ND2-OD2 3.1Å; N7-Q54 PolarHBondContact ND2-NE2 3.37Å; N7-Q54 VanDerWaalsContact ND2-NE2 3.17Å
8C82.3Confident73.4Confident109 Ų10974.5 Ų74.574%0.73641%0.412SS*.Hα-helixtrans-58.4-35-170.3-60.20000113.8M6 A12M6-C8 PolarHBondContact O-N 3.44Å; C8-A12 PolarHBondContact O-N 3.16Å; C8-A12 VanDerWaalsContact O-N 3.13Å
9E85.2Confident74.4Confident126 Ų12677.3 Ų77.359%0.58942%0.417SS*.Hα-helixtrans-63.8-48.4174.5-60.3-177-167.600111.4N7 L11 A12 T13 Y41N7-E9 VanDerWaalsContact C-N 3.26Å; N7-E9 PolarHBondContact O-N 2.84Å; N7-E9 VanDerWaalsContact O-N 3.17Å; E9-L11 VanDerWaalsContact C-N 3.31Å; E9-L11 PolarHBondContact O-N 3.26Å; E9-A12 WeakPolarHBondContact O-CB 3.04Å; E9-A12 PolarHBondContact O-N 2.98Å; E9-A12 VanDerWaalsContact O-N 3.07Å; E9-T13 PolarHBondContact O-N 3.02Å; E9-T13 PolarHBondContact O-OG1 3.28Å; E9-Y41 WeakPolarHBondContact CB-OH 3.15Å; E9-Y41 PolarHBondContact OE2-OH 3.28Å
10L89.6Confident75.3Confident4 Ų477.8 Ų77.82%0.02142%0.418CS..Hα-helixtrans-60.9-40.8-179.3-169.371.1000111.4M6 N7 T13 C14 L38 Y41 V51 Q54 L55M6-L10 HydrophobicContact CE-CD2 4.37Å; N7-L10 HydrophobicContact CB-CB 4.29Å; N7-L10 WeakPolarHBondContact O-CB 3.32Å; N7-L10 PolarHBondContact O-N 3.04Å; L10-T13 PolarHBondContact O-N 3.22Å; L10-C14 WeakPolarHBondContact O-CB 3.23Å; L10-C14 PolarHBondContact O-N 2.8Å; L10-C14 PolarHBondContact O-SG 3.4Å; L10-L38 HydrophobicContact CD1-CD2 3.57Å; L10-Y41 HydrophobicContact CD1-CD2 3.9Å; L10-Y41 HydrophobicContact CD1-CG 4.31Å; L10-V51 HydrophobicContact CD1-CG1 4.01Å; L10-V51 HydrophobicContact CD2-CG1 4.2Å; L10-Q54 HydrophobicContact CD2-CB 3.58Å; L10-Q54 HydrophobicContact CD2-CG 4.39Å; L10-L55 HydrophobicContact CD1-CD2 4.15Å; L10-L55 HydrophobicContact CD1-CG 4.4Å; L10-L55 HydrophobicContact CD2-CD2 4.47Å; L10-L55 HydrophobicContact CD2-CG 4.34Å; L10-L55 HydrophobicContact CG-CD2 4.34Å
11L87.3Confident76.1Confident61 Ų6180.1 Ų80.132%0.31943%0.427SS..Hα-helixtrans-59.3-47.1172.5-81.2172.2000112M6 N7 E9 C14 S15M6-L11 HydrophobicContact CB-CD1 3.85Å; M6-L11 HydrophobicContact CB-CD2 3.97Å; M6-L11 HydrophobicContact CB-CG 3.62Å; M6-L11 HydrophobicContact CE-CD2 3.69Å; M6-L11 HydrophobicContact CE-CG 4.18Å; M6-L11 HydrophobicContact CG-CD2 4.42Å; M6-L11 HydrophobicContact SD-CD2 3.66Å; M6-L11 HydrophobicContact SD-CG 4.37Å; N7-L11 PolarHBondContact O-N 2.86Å; N7-L11 VanDerWaalsContact O-N 3.08Å; E9-L11 VanDerWaalsContact C-N 3.31Å; E9-L11 PolarHBondContact O-N 3.26Å; L11-C14 PolarHBondContact O-N 3.2Å; L11-S15 PolarHBondContact O-N 2.8Å; L11-S15 PolarHBondContact O-OG 2.89Å
12A88.6Confident78.5Confident54 Ų5476.4 Ų76.445%0.44643%0.428SS..Hα-helixtrans-61.5-45.5178.500000111.7C8 E9 C14 S15 A16C8-A12 PolarHBondContact O-N 3.16Å; C8-A12 VanDerWaalsContact O-N 3.13Å; E9-A12 WeakPolarHBondContact O-CB 3.04Å; E9-A12 PolarHBondContact O-N 2.98Å; E9-A12 VanDerWaalsContact O-N 3.07Å; A12-C14 VanDerWaalsContact C-N 3.3Å; A12-C14 PolarHBondContact O-N 2.88Å; A12-S15 WeakPolarHBondContact CA-OG 3.32Å; A12-S15 PolarHBondContact O-N 3.3Å; A12-S15 PolarHBondContact O-OG 3.13Å; A12-A16 WeakPolarHBondContact O-CB 3.28Å; A12-A16 PolarHBondContact O-N 3.46Å
13T90.9Very high81.2Confident16 Ų1676.3 Ų76.310%0.09843%0.428CS..Hα-helixtrans-61.5-36.6175.4-47.20000112.3E9 L10 A16 S34 D37 L38E9-T13 PolarHBondContact O-N 3.02Å; E9-T13 PolarHBondContact O-OG1 3.28Å; L10-T13 PolarHBondContact O-N 3.22Å; T13-A16 PolarHBondContact O-N 2.78Å; T13-S34 VanDerWaalsContact CG2-O 3.28Å; T13-S34 WeakPolarHBondContact CG2-O 3.19Å; T13-D37 HydrophobicContact CG2-CB 3.97Å; T13-L38 HydrophobicContact CG2-CD2 3.66Å; T13-L38 HydrophobicContact CG2-CG 3.87Å
14C89.8Confident83.4Confident12 Ų1274 Ų748%0.08142%0.419CS..Hα-helixtrans-67.2-43.6175.4-67.90000112L10 L11 A12 A16 L17 L55 I60L10-C14 WeakPolarHBondContact O-CB 3.23Å; L10-C14 PolarHBondContact O-N 2.8Å; L10-C14 PolarHBondContact O-SG 3.4Å; L11-C14 PolarHBondContact O-N 3.2Å; A12-C14 VanDerWaalsContact C-N 3.3Å; A12-C14 PolarHBondContact O-N 2.88Å; C14-A16 PolarHBondContact O-N 2.87Å; C14-L17 WeakPolarHBondContact O-CG 3.39Å; C14-L17 PolarHBondContact O-N 3.14Å; C14-L55 VanDerWaalsContact SG-CD2 3.52Å; C14-I60 HydrophobicContact CB-CD1 3.73Å; C14-I60 HydrophobicContact CB-CG1 4.39Å
15S88.1Confident85.9Confident82 Ų8265 Ų6557%0.57338%0.377SS*.Hα-helixtrans-64.8-28.4174.548.40000113.2L11 A12 L17L11-S15 PolarHBondContact O-N 2.8Å; L11-S15 PolarHBondContact O-OG 2.89Å; A12-S15 WeakPolarHBondContact CA-OG 3.32Å; A12-S15 PolarHBondContact O-N 3.3Å; A12-S15 PolarHBondContact O-OG 3.13Å; S15-L17 PolarHBondContact O-N 2.79Å
16A91.9Very high87.9Confident26 Ų2661.9 Ų61.922%0.21536%0.361CS..THydrogen-bonded Turntrans-83.425.617900000114.2A12 T13 C14 E28 S34A12-A16 WeakPolarHBondContact O-CB 3.28Å; A12-A16 PolarHBondContact O-N 3.46Å; T13-A16 PolarHBondContact O-N 2.78Å; C14-A16 PolarHBondContact O-N 2.87Å; A16-E28 WeakPolarHBondContact CA-OE2 3.17Å; A16-S34 WeakPolarHBondContact O-CB 3.29Å; A16-S34 PolarHBondContact O-OG 3.47Å
17L92.1Very high89.5Confident0 Ų064.4 Ų64.40%037%0.371CS..THydrogen-bonded Turntrans-95-47.1171.8-68.5171.4000111.3C14 S15 K27 E28 V35 L38 I60 D64C14-L17 WeakPolarHBondContact O-CG 3.39Å; C14-L17 PolarHBondContact O-N 3.14Å; S15-L17 PolarHBondContact O-N 2.79Å; L17-K27 WeakPolarHBondContact O-CA 3.44Å; L17-E28 PolarHBondContact O-N 2.95Å; L17-V35 HydrophobicContact CD2-CG2 3.58Å; L17-L38 HydrophobicContact CD1-CD1 4.24Å; L17-I60 HydrophobicContact CD1-CG2 3.56Å; L17-D64 HydrophobicContact CB-CB 4.49Å; L17-D64 HydrophobicContact CD1-CB 3.92Å
18G92.4Very high90.3Very high14 Ų1464.4 Ų64.414%0.14437%0.368CS..EExtended strand (participates in β ladder)trans148.6-162.4-172.600000112.8Y25 H26G18-Y25 VanDerWaalsContact CA-OH 3.31Å; G18-Y25 WeakPolarHBondContact CA-OH 3.47Å; G18-Y25 PolarHBondContact N-OH 3.38Å; G18-H26 CarbonylContact C-O 3.42Å; G18-H26 WeakPolarHBondContact CA-O 3.25Å
19Y92.3Very high90.7Very high127 Ų12765 Ų6550%0.49837%0.371SS..EExtended strand (participates in β ladder)trans-154.3157.2176.655.6-87.9000112.4E21 H26Y19-E21 HydrophobicContact CD2-CB 4.4Å; Y19-E21 HydrophobicContact CE2-CB 4.25Å; Y19-H26 HydrophobicContact CD2-CB 4.3Å; Y19-H26 HydrophobicContact CE1-CB 4.2Å; Y19-H26 HydrophobicContact CE2-CB 3.9Å; Y19-H26 PolarHBondContact N-O 3.34Å; Y19-H26 PolarHBondContact O-N 3.29Å
20L92.1Very high91.1Very high87 Ų8764.4 Ų64.446%0.45537%0.372SS..EExtended strand (participates in β ladder)trans-86.5115.4169.8-74.1167.9000110.7Y25 P67L20-Y25 HydrophobicContact CD2-CD2 3.77Å; L20-Y25 HydrophobicContact CD2-CG 4.42Å; L20-Y25 HydrophobicContact CG-CD2 3.88Å; L20-Y25 HydrophobicContact CG-CE2 4.5Å; L20-P67 HydrophobicContact CD1-CG 4.42Å; L20-P67 HydrophobicContact CD2-CB 4.05Å; L20-P67 HydrophobicContact CD2-CG 4.1Å
21E92.6Very high91.3Very high127 Ų12764.3 Ų64.359%0.59337%0.371SS*.EExtended strand (participates in β ladder)trans-100.393164.7-164173.8166.700109Y19 D23 T24Y19-E21 HydrophobicContact CD2-CB 4.4Å; Y19-E21 HydrophobicContact CE2-CB 4.25Å; E21-D23 PolarHBondContact O-N 3.42Å; E21-T24 PolarHBondContact N-O 3.09Å; E21-T24 PolarHBondContact O-N 2.8Å
22G89.1Confident91.6Very high77 Ų7763.5 Ų63.579%0.79437%0.367SS*.THydrogen-bonded Turntrans72-109.1-174.900000112.2
23D88.5Confident91.9Very high123 Ų12366.1 Ų66.166%0.65837%0.37SS*.THydrogen-bonded Turntrans-109.18177.7-163.739.1000111.8E21 Q71E21-D23 PolarHBondContact O-N 3.42Å; D23-Q71 PolarHBondContact O-NE2 2.99Å
24T91.8Very high92Very high74 Ų7465.8 Ų65.845%0.45437%0.369SS..EExtended strand (participates in β ladder)trans-115131179.7-570000111E21E21-T24 PolarHBondContact N-O 3.09Å; E21-T24 PolarHBondContact O-N 2.8Å
25Y93.5Very high92.3Very high3 Ų365.2 Ų65.21%0.01237%0.365CS..EExtended strand (participates in β ladder)trans-93.9119.5177.2-167.6-86.3000111.4G18 L20 K27 D64 P67 I68 H72G18-Y25 VanDerWaalsContact CA-OH 3.31Å; G18-Y25 WeakPolarHBondContact CA-OH 3.47Å; G18-Y25 PolarHBondContact N-OH 3.38Å; L20-Y25 HydrophobicContact CD2-CD2 3.77Å; L20-Y25 HydrophobicContact CD2-CG 4.42Å; L20-Y25 HydrophobicContact CG-CD2 3.88Å; L20-Y25 HydrophobicContact CG-CE2 4.5Å; Y25-K27 HydrophobicContact CD1-CB 4.37Å; Y25-K27 HydrophobicContact CE1-CB 4.17Å; Y25-D64 HydrophobicContact CE2-CB 4.18Å; Y25-D64 WeakPolarHBondContact CE2-OD1 3.39Å; Y25-D64 WeakPolarHBondContact OH-CB 3.35Å; Y25-D64 PolarHBondContact OH-OD1 3.43Å; Y25-P67 HydrophobicContact CD2-CB 3.56Å; Y25-P67 HydrophobicContact CD2-CG 4.32Å; Y25-P67 HydrophobicContact CE2-CB 4.42Å; Y25-P67 HydrophobicContact CG-CB 3.84Å; Y25-I68 HydrophobicContact CD1-CD1 4.5Å; Y25-I68 HydrophobicContact CD1-CG1 3.66Å; Y25-I68 HydrophobicContact CE1-CD1 3.72Å; Y25-I68 HydrophobicContact CE1-CG1 3.37Å; Y25-I68 HydrophobicContact CG-CG1 4.41Å; Y25-H72 PolarHBondContact O-NE2 3.47Å
26H93Very high92.6Very high76 Ų7665 Ų6535%0.35235%0.353SS..EExtended strand (participates in β ladder)trans-98.3101.5177.3-69.8-92.9000109.4G18 Y19G18-H26 CarbonylContact C-O 3.42Å; G18-H26 WeakPolarHBondContact CA-O 3.25Å; Y19-H26 HydrophobicContact CD2-CB 4.3Å; Y19-H26 HydrophobicContact CE1-CB 4.2Å; Y19-H26 HydrophobicContact CE2-CB 3.9Å; Y19-H26 PolarHBondContact N-O 3.34Å; Y19-H26 PolarHBondContact O-N 3.29Å
27K92.6Very high92.7Very high73 Ų7365.6 Ų65.632%0.31735%0.353SS..EExtended strand (participates in β ladder)trans-73.7143.4175.867.6179.3177.6-171.70111.9L17 Y25 C31 H72 D75 L78L17-K27 WeakPolarHBondContact O-CA 3.44Å; Y25-K27 HydrophobicContact CD1-CB 4.37Å; Y25-K27 HydrophobicContact CE1-CB 4.17Å; K27-C31 HydrophobicContact CB-CB 4.33Å; K27-H72 WeakPolarHBondContact CE-ND1 3.27Å; K27-D75 IonicContact NZ-OD2 2.66Å; K27-D75 PolarHBondContact NZ-OD2 3.48Å; K27-L78 HydrophobicContact CD-CD2 3.75Å
28E92.8Very high92.8Very high81 Ų8165.6 Ų65.638%0.37935%0.353SS..  trans-77158.2171.6-62-146.5145.600111.8A16 L17 D30 C31A16-E28 WeakPolarHBondContact CA-OE2 3.17Å; L17-E28 PolarHBondContact O-N 2.95Å; E28-D30 VanDerWaalsContact C-N 3.27Å; E28-D30 PolarHBondContact O-N 3.4Å; E28-C31 WeakPolarHBondContact O-CB 3.42Å; E28-C31 PolarHBondContact O-N 3.39Å
29P90.7Very high92.9Very high123 Ų12365.2 Ų65.280%0.79935%0.348SS*.THydrogen-bonded Turntrans-56.8-40-178.4-25.335.3000113.4C31P29-C31 VanDerWaalsContact C-N 3.33Å
30D92.8Very high92.9Very high112 Ų11265 Ų6560%0.59935%0.346SS*.THydrogen-bonded Turntrans-93.49.6-173.9-55.5-42.8000112.7E28 L32 E33 S34E28-D30 VanDerWaalsContact C-N 3.27Å; E28-D30 PolarHBondContact O-N 3.4Å; D30-L32 PolarHBondContact O-N 3.01Å; D30-E33 WeakPolarHBondContact O-CA 3.42Å; D30-E33 WeakPolarHBondContact O-CB 3.39Å; D30-E33 PolarHBondContact O-N 2.66Å; D30-S34 PolarHBondContact O-N 2.86Å; D30-S34 PolarHBondContact O-OG 3.15Å
31C93.6Very high93Very high2 Ų263.8 Ų63.81%0.01434%0.336CS..Hα-helixtrans-51.1-33.8179.5172.10000113.5K27 E28 P29 S34 V35K27-C31 HydrophobicContact CB-CB 4.33Å; E28-C31 WeakPolarHBondContact O-CB 3.42Å; E28-C31 PolarHBondContact O-N 3.39Å; P29-C31 VanDerWaalsContact C-N 3.33Å; C31-S34 PolarHBondContact O-N 3.4Å; C31-V35 VanDerWaalsContact O-CG2 3.31Å; C31-V35 WeakPolarHBondContact O-CG2 3.48Å; C31-V35 PolarHBondContact O-N 3.46Å
32L94.3Very high92.9Very high45 Ų4558 Ų5824%0.23631%0.309CS..Hα-helixtrans-69.6-30.4176.2176.662.1000113.1D30 K36 P77 L78 A81D30-L32 PolarHBondContact O-N 3.01Å; L32-K36 VanDerWaalsContact O-CD 3.24Å; L32-K36 WeakPolarHBondContact O-CD 3.31Å; L32-K36 WeakPolarHBondContact O-CG 3.4Å; L32-K36 PolarHBondContact O-N 3.29Å; L32-P77 HydrophobicContact CD1-CB 4.43Å; L32-P77 WeakPolarHBondContact CD1-O 3.44Å; L32-P77 HydrophobicContact CD2-CB 4.3Å; L32-P77 HydrophobicContact CD2-CG 4.35Å; L32-L78 HydrophobicContact CB-CD1 4.38Å; L32-L78 HydrophobicContact CD1-CB 4.3Å; L32-L78 HydrophobicContact CD1-CD1 4.39Å; L32-A81 HydrophobicContact CD1-CB 4.1Å
33E94.4Very high93Very high108 Ų10862.3 Ų62.351%0.50530%0.301SS..Hα-helixtrans-76.5-47171.6-173.2124.6-125.200109.3D30 V35 K36 D37 R40D30-E33 WeakPolarHBondContact O-CA 3.42Å; D30-E33 WeakPolarHBondContact O-CB 3.39Å; D30-E33 PolarHBondContact O-N 2.66Å; E33-V35 PolarHBondContact O-N 3.3Å; E33-K36 CarbonylContact O-C 3.48Å; E33-K36 WeakPolarHBondContact O-CA 3.18Å; E33-K36 WeakPolarHBondContact O-CB 3.17Å; E33-K36 PolarHBondContact O-N 3.44Å; E33-D37 PolarHBondContact O-N 2.67Å; E33-R40 IonicContact OE1-NH1 3.65Å
34S94.4Very high93Very high9 Ų964 Ų646%0.06331%0.305CS..Hα-helixtrans-51.1-49.2175.4-550000112.8T13 A16 D30 C31 K36 D37 L38T13-S34 VanDerWaalsContact CG2-O 3.28Å; T13-S34 WeakPolarHBondContact CG2-O 3.19Å; A16-S34 WeakPolarHBondContact O-CB 3.29Å; A16-S34 PolarHBondContact O-OG 3.47Å; D30-S34 PolarHBondContact O-N 2.86Å; D30-S34 PolarHBondContact O-OG 3.15Å; C31-S34 PolarHBondContact O-N 3.4Å; S34-K36 VanDerWaalsContact C-N 3.31Å; S34-K36 PolarHBondContact O-N 2.87Å; S34-D37 PolarHBondContact O-N 3.42Å; S34-D37 VanDerWaalsContact O-N 3.15Å; S34-L38 WeakPolarHBondContact O-CG 3.48Å; S34-L38 PolarHBondContact O-N 2.95Å
35V94.9Very high92.9Very high0 Ų061.6 Ų61.60%029%0.289CS..Hα-helixtrans-63.7-34176.6173.90000112.1L17 C31 E33 I39 L78 A81 V82 L85L17-V35 HydrophobicContact CD2-CG2 3.58Å; C31-V35 VanDerWaalsContact O-CG2 3.31Å; C31-V35 WeakPolarHBondContact O-CG2 3.48Å; C31-V35 PolarHBondContact O-N 3.46Å; E33-V35 PolarHBondContact O-N 3.3Å; V35-I39 HydrophobicContact CG1-CD1 4.34Å; V35-I39 WeakPolarHBondContact O-CD1 3.33Å; V35-I39 VanDerWaalsContact O-CG1 3.28Å; V35-I39 WeakPolarHBondContact O-CG1 3.45Å; V35-I39 PolarHBondContact O-N 2.79Å; V35-L78 HydrophobicContact CG2-CD1 4.23Å; V35-A81 HydrophobicContact CB-CB 4.45Å; V35-A81 HydrophobicContact CG1-CB 3.69Å; V35-A81 WeakPolarHBondContact CG1-O 3.33Å; V35-V82 HydrophobicContact CG1-CG2 4.2Å; V35-V82 HydrophobicContact CG2-CG2 4.16Å; V35-L85 HydrophobicContact CG1-CB 4.29Å; V35-L85 HydrophobicContact CG1-CD2 4.02Å
36K94.6Very high92.6Very high77 Ų7764.6 Ų64.634%0.33531%0.305SS..Hα-helixtrans-69.9-35.7174-71165.9-1711680111.7L32 E33 S34 I39 R40L32-K36 VanDerWaalsContact O-CD 3.24Å; L32-K36 WeakPolarHBondContact O-CD 3.31Å; L32-K36 WeakPolarHBondContact O-CG 3.4Å; L32-K36 PolarHBondContact O-N 3.29Å; E33-K36 CarbonylContact O-C 3.48Å; E33-K36 WeakPolarHBondContact O-CA 3.18Å; E33-K36 WeakPolarHBondContact O-CB 3.17Å; E33-K36 PolarHBondContact O-N 3.44Å; S34-K36 VanDerWaalsContact C-N 3.31Å; S34-K36 PolarHBondContact O-N 2.87Å; K36-I39 PolarHBondContact O-N 2.96Å; K36-R40 WeakPolarHBondContact O-CG 3.33Å; K36-R40 PolarHBondContact O-N 3.21Å
37D94.1Very high92.2Very high39 Ų3967 Ų6721%0.20932%0.316CS..Hα-helixtrans-68.4-42.1174.8-77.3-43.2000112.4T13 E33 S34 I39 R40 Y41T13-D37 HydrophobicContact CG2-CB 3.97Å; E33-D37 PolarHBondContact O-N 2.67Å; S34-D37 PolarHBondContact O-N 3.42Å; S34-D37 VanDerWaalsContact O-N 3.15Å; D37-I39 PolarHBondContact O-N 2.9Å; D37-R40 CarbonylContact O-C 3.59Å; D37-R40 WeakPolarHBondContact O-CA 3.25Å; D37-R40 WeakPolarHBondContact O-CB 3.44Å; D37-R40 PolarHBondContact O-N 2.95Å; D37-R40 WeakPolarHBondContact OD1-CD 3.41Å; D37-R40 IonicContact OD1-CZ 2.68Å; D37-R40 IonicContact OD1-NE 3.42Å; D37-R40 IonicContact OD1-NH1 2.99Å; D37-R40 PolarHBondContact OD1-NH1 3.06Å; D37-R40 IonicContact OD2-NH1 2.82Å; D37-Y41 HydrophobicContact CB-CE2 4.12Å; D37-Y41 WeakPolarHBondContact O-CD2 3.43Å; D37-Y41 PolarHBondContact O-N 3.31Å
38L94.1Very high91.8Very high1 Ų165.3 Ų65.31%0.00531%0.312CS..Hα-helixtrans-55.9-38170.9-64.1-173.4000112.2L10 T13 L17 S34 L42 L55 I60 L85L10-L38 HydrophobicContact CD1-CD2 3.57Å; T13-L38 HydrophobicContact CG2-CD2 3.66Å; T13-L38 HydrophobicContact CG2-CG 3.87Å; L17-L38 HydrophobicContact CD1-CD1 4.24Å; S34-L38 WeakPolarHBondContact O-CG 3.48Å; S34-L38 PolarHBondContact O-N 2.95Å; L38-L42 WeakPolarHBondContact O-CG 3.17Å; L38-L42 PolarHBondContact O-N 3.15Å; L38-L55 HydrophobicContact CD1-CD2 4.33Å; L38-L55 HydrophobicContact CD2-CD2 4.03Å; L38-I60 HydrophobicContact CD1-CG2 4.48Å; L38-L85 HydrophobicContact CB-CD1 4.1Å; L38-L85 HydrophobicContact CB-CD2 3.96Å; L38-L85 HydrophobicContact CD1-CD2 3.87Å
39I94.4Very high91.7Very high6 Ų663.6 Ų63.63%0.03130%0.302CS..Hα-helixtrans-72.2-32.1174.1-63165.5000112.2V35 K36 D37 R43 A81 R84 L85V35-I39 HydrophobicContact CG1-CD1 4.34Å; V35-I39 WeakPolarHBondContact O-CD1 3.33Å; V35-I39 VanDerWaalsContact O-CG1 3.28Å; V35-I39 WeakPolarHBondContact O-CG1 3.45Å; V35-I39 PolarHBondContact O-N 2.79Å; K36-I39 PolarHBondContact O-N 2.96Å; D37-I39 PolarHBondContact O-N 2.9Å; I39-R43 WeakPolarHBondContact O-CD 3.47Å; I39-R43 VanDerWaalsContact O-CG 3.27Å; I39-R43 WeakPolarHBondContact O-CG 3.3Å; I39-R43 PolarHBondContact O-N 3.16Å; I39-A81 WeakPolarHBondContact CD1-O 3.39Å; I39-R84 HydrophobicContact CD1-CB 4.34Å; I39-L85 HydrophobicContact CD1-CB 3.99Å; I39-L85 HydrophobicContact CG1-CB 3.84Å; I39-L85 HydrophobicContact CG1-CD1 3.96Å; I39-L85 HydrophobicContact CG1-CG 4.41Å
40R93.5Very high91.6Very high122 Ų12259.5 Ų59.546%0.4627%0.273SS..Hα-helixtrans-66.2-45.8171.8-71.3165.6-179.6154.7-1.9110.2E33 K36 D37 R43 H44E33-R40 IonicContact OE1-NH1 3.65Å; K36-R40 WeakPolarHBondContact O-CG 3.33Å; K36-R40 PolarHBondContact O-N 3.21Å; D37-R40 CarbonylContact O-C 3.59Å; D37-R40 WeakPolarHBondContact O-CA 3.25Å; D37-R40 WeakPolarHBondContact O-CB 3.44Å; D37-R40 PolarHBondContact O-N 2.95Å; D37-R40 WeakPolarHBondContact OD1-CD 3.41Å; D37-R40 IonicContact OD1-CZ 2.68Å; D37-R40 IonicContact OD1-NE 3.42Å; D37-R40 IonicContact OD1-NH1 2.99Å; D37-R40 PolarHBondContact OD1-NH1 3.06Å; D37-R40 IonicContact OD2-NH1 2.82Å; R40-R43 PolarHBondContact O-N 3.44Å; R40-H44 PolarHBondContact O-ND1 3.13Å
41Y92.9Very high91.6Very high62 Ų6254.6 Ų54.624%0.24325%0.248CC..Hα-helixtrans-61.2-46.3177.4-66.5-57.2000112.1E9 L10 D37 R43 H44 E45E9-Y41 WeakPolarHBondContact CB-OH 3.15Å; E9-Y41 PolarHBondContact OE2-OH 3.28Å; L10-Y41 HydrophobicContact CD1-CD2 3.9Å; L10-Y41 HydrophobicContact CD1-CG 4.31Å; D37-Y41 HydrophobicContact CB-CE2 4.12Å; D37-Y41 WeakPolarHBondContact O-CD2 3.43Å; D37-Y41 PolarHBondContact O-N 3.31Å; Y41-R43 PolarHBondContact O-N 2.98Å; Y41-R43 VanDerWaalsContact O-N 3.1Å; Y41-H44 CarbonylContact O-C 3.53Å; Y41-H44 PolarHBondContact O-N 3.16Å; Y41-E45 PolarHBondContact O-N 3.06Å; Y41-E45 VanDerWaalsContact O-N 3.07Å
42L91.5Very high91.6Very high5 Ų555.1 Ų55.13%0.02625%0.249CC..THydrogen-bonded Turntrans-64-13.8176.6-74.3166.6000114.9L38 V51 R52 L55 L85 L89L38-L42 WeakPolarHBondContact O-CG 3.17Å; L38-L42 PolarHBondContact O-N 3.15Å; L42-V51 HydrophobicContact CD2-CB 4.13Å; L42-V51 HydrophobicContact CD2-CG1 3.76Å; L42-V51 HydrophobicContact CG-CG1 3.9Å; L42-R52 HydrophobicContact CD2-CB 3.76Å; L42-L55 HydrophobicContact CD1-CD1 4.08Å; L42-L55 HydrophobicContact CD2-CD1 4.29Å; L42-L55 HydrophobicContact CG-CD1 4.21Å; L42-L85 HydrophobicContact CD1-CD1 3.36Å; L42-L89 HydrophobicContact CD1-CD2 3.81Å; L42-L89 HydrophobicContact CD1-CG 4.06Å; L42-L89 HydrophobicContact CD2-CD2 4.16Å
43R90.6Very high91.4Very high168 Ų16853.9 Ų53.963%0.63424%0.242SC*.THydrogen-bonded Turntrans-88.8-13172.1-70.9167.9-179.2-160.3-2.1113.6I39 R40 Y41I39-R43 WeakPolarHBondContact O-CD 3.47Å; I39-R43 VanDerWaalsContact O-CG 3.27Å; I39-R43 WeakPolarHBondContact O-CG 3.3Å; I39-R43 PolarHBondContact O-N 3.16Å; R40-R43 PolarHBondContact O-N 3.44Å; Y41-R43 PolarHBondContact O-N 2.98Å; Y41-R43 VanDerWaalsContact O-N 3.1Å
44H89.5Confident91.2Very high159 Ų15949.7 Ų49.774%0.73622%0.223SC*.SBendtrans-125.619.2-177.7-55.585.4000111.7R40 Y41R40-H44 PolarHBondContact O-ND1 3.13Å; Y41-H44 CarbonylContact O-C 3.53Å; Y41-H44 PolarHBondContact O-N 3.16Å
45E88.6Confident91.2Very high23 Ų2349.3 Ų49.311%0.10722%0.22CC..  trans-63.1158171.665.2173.1-175.800111.3Y41 R49 V51 R52Y41-E45 PolarHBondContact O-N 3.06Å; Y41-E45 VanDerWaalsContact O-N 3.07Å; E45-R49 VanDerWaalsContact CD-CD 3.43Å; E45-R49 WeakPolarHBondContact OE1-CD 3.15Å; E45-R49 IonicContact OE1-CZ 3.36Å; E45-R49 IonicContact OE1-NE 3.53Å; E45-R49 IonicContact OE1-NH1 3.08Å; E45-R49 PolarHBondContact OE1-NH1 3.48Å; E45-V51 HydrophobicContact CB-CB 4.06Å; E45-V51 HydrophobicContact CB-CG2 3.9Å; E45-R52 IonicContact OE1-CZ 3.19Å; E45-R52 IonicContact OE1-NE 3.9Å; E45-R52 PolarHBondContact OE1-NE 3.19Å; E45-R52 IonicContact OE1-NH2 2.66Å; E45-R52 PolarHBondContact OE1-NH2 2.94Å; E45-R52 WeakPolarHBondContact OE2-CG 3.37Å; E45-R52 IonicContact OE2-CZ 3.24Å; E45-R52 IonicContact OE2-NE 2.74Å; E45-R52 PolarHBondContact OE2-NE 2.66Å; E45-R52 IonicContact OE2-NH2 3.66Å
46D86.9Confident91Very high66 Ų6649.4 Ų49.435%0.35322%0.221SC..  trans-83.3179.8179.382.5-27.2000113.5T48 R49 D50D46-T48 VanDerWaalsContact CG-N 3.26Å; D46-T48 PolarHBondContact O-N 2.67Å; D46-T48 WeakPolarHBondContact OD1-CA 3.47Å; D46-T48 PolarHBondContact OD1-N 2.78Å; D46-T48 PolarHBondContact OD1-OG1 2.99Å; D46-T48 VanDerWaalsContact OD2-CB 3.29Å; D46-T48 WeakPolarHBondContact OD2-CB 3.39Å; D46-T48 VanDerWaalsContact OD2-CG2 3.27Å; D46-T48 WeakPolarHBondContact OD2-CG2 3.41Å; D46-T48 PolarHBondContact OD2-N 3.22Å; D46-T48 PolarHBondContact OD2-OG1 2.73Å; D46-R49 WeakPolarHBondContact O-CA 3.34Å; D46-R49 WeakPolarHBondContact O-CD 3.5Å; D46-R49 PolarHBondContact O-N 3.09Å; D46-R49 PolarHBondContact O-NE 2.83Å; D46-R49 PolarHBondContact OD1-N 2.95Å; D46-D50 PolarHBondContact N-OD1 3.27Å; D46-D50 PolarHBondContact OD1-N 3.02Å
47E84.8Confident90.8Very high127 Ų12748.1 Ų48.159%0.59323%0.225SC*.THydrogen-bonded Turntrans-71.3-13.7174.8-65.1-62.7172.100113.9R49 F106E47-R49 VanDerWaalsContact C-N 3.26Å; E47-R49 IonicContact OE1-NH2 3.47Å; E47-R49 IonicContact OE2-CZ 2.71Å; E47-R49 IonicContact OE2-NE 2.87Å; E47-R49 IonicContact OE2-NH2 3.51Å; E47-R49 PolarHBondContact OE2-NH2 3.47Å; E47-F106 HydrophobicContact CB-CE1 4.36Å
48T85.1Confident90.7Very high36 Ų3647.8 Ų47.822%0.22123%0.227CC..THydrogen-bonded Turntrans-79.1-13.9167.178.60000112.4D46 Q53 F106 H109D46-T48 VanDerWaalsContact CG-N 3.26Å; D46-T48 PolarHBondContact O-N 2.67Å; D46-T48 WeakPolarHBondContact OD1-CA 3.47Å; D46-T48 PolarHBondContact OD1-N 2.78Å; D46-T48 PolarHBondContact OD1-OG1 2.99Å; D46-T48 VanDerWaalsContact OD2-CB 3.29Å; D46-T48 WeakPolarHBondContact OD2-CB 3.39Å; D46-T48 VanDerWaalsContact OD2-CG2 3.27Å; D46-T48 WeakPolarHBondContact OD2-CG2 3.41Å; D46-T48 PolarHBondContact OD2-N 3.22Å; D46-T48 PolarHBondContact OD2-OG1 2.73Å; T48-Q53 PolarHBondContact O-NE2 2.96Å; T48-F106 HydrophobicContact CG2-CE1 3.95Å; T48-H109 WeakPolarHBondContact CB-ND1 3.31Å
49R89.7Confident90.6Very high45 Ų4552.6 Ų52.617%0.1725%0.25CC..  trans64.548.2-177.2-48.5-68.9157.8-174.4-10.2110.6E45 D46 E47 R52 Q53 C96 F97E45-R49 VanDerWaalsContact CD-CD 3.43Å; E45-R49 WeakPolarHBondContact OE1-CD 3.15Å; E45-R49 IonicContact OE1-CZ 3.36Å; E45-R49 IonicContact OE1-NE 3.53Å; E45-R49 IonicContact OE1-NH1 3.08Å; E45-R49 PolarHBondContact OE1-NH1 3.48Å; D46-R49 WeakPolarHBondContact O-CA 3.34Å; D46-R49 WeakPolarHBondContact O-CD 3.5Å; D46-R49 PolarHBondContact O-N 3.09Å; D46-R49 PolarHBondContact O-NE 2.83Å; D46-R49 PolarHBondContact OD1-N 2.95Å; E47-R49 VanDerWaalsContact C-N 3.26Å; E47-R49 IonicContact OE1-NH2 3.47Å; E47-R49 IonicContact OE2-CZ 2.71Å; E47-R49 IonicContact OE2-NE 2.87Å; E47-R49 IonicContact OE2-NH2 3.51Å; E47-R49 PolarHBondContact OE2-NH2 3.47Å; R49-R52 HydrophobicContact CB-CG 3.79Å; R49-R52 VanDerWaalsContact O-CG 3.27Å; R49-R52 WeakPolarHBondContact O-CG 3.49Å; R49-Q53 WeakPolarHBondContact O-CG 3.38Å; R49-Q53 PolarHBondContact O-N 2.82Å; R49-C96 PolarHBondContact NE-O 3.15Å; R49-C96 VanDerWaalsContact NE-O 3.07Å; R49-F97 HydrophobicContact CB-CE1 4.23Å; R49-F97 HydrophobicContact CB-CE2 4.47Å; R49-F97 HydrophobicContact CB-CZ 3.83Å; R49-F97 HydrophobicContact CG-CD1 4.09Å; R49-F97 HydrophobicContact CG-CE1 3.51Å; R49-F97 HydrophobicContact CG-CE2 4.04Å; R49-F97 HydrophobicContact CG-CZ 3.48Å; R49-F97 VanDerWaalsContact CG-CZ 3.48Å
50D88.9Confident90.6Very high37 Ų3752.8 Ų52.820%0.19825%0.251CS..Hα-helixtrans-60.3-48.3-173.479.2-50.9000113.1N7 D46 R52 Q53 Q54N7-D50 PolarHBondContact ND2-OD2 3.26Å; N7-D50 VanDerWaalsContact ND2-OD2 3.1Å; D46-D50 PolarHBondContact N-OD1 3.27Å; D46-D50 PolarHBondContact OD1-N 3.02Å; D50-R52 PolarHBondContact O-N 3.22Å; D50-Q53 WeakPolarHBondContact O-CB 3.39Å; D50-Q53 PolarHBondContact O-N 3.04Å; D50-Q53 VanDerWaalsContact O-N 3.1Å; D50-Q54 VanDerWaalsContact O-CG 3.3Å; D50-Q54 WeakPolarHBondContact O-CG 3.49Å; D50-Q54 PolarHBondContact O-N 2.83Å; D50-Q54 PolarHBondContact OD2-NE2 3.38Å
51V92.8Very high90.6Very high10 Ų1047 Ų476%0.06123%0.229CC..Hα-helixtrans-58.5-48.5-176.2179.80000111.2L10 L42 E45 Q53 Q54 L55L10-V51 HydrophobicContact CD1-CG1 4.01Å; L10-V51 HydrophobicContact CD2-CG1 4.2Å; L42-V51 HydrophobicContact CD2-CB 4.13Å; L42-V51 HydrophobicContact CD2-CG1 3.76Å; L42-V51 HydrophobicContact CG-CG1 3.9Å; E45-V51 HydrophobicContact CB-CB 4.06Å; E45-V51 HydrophobicContact CB-CG2 3.9Å; V51-Q53 VanDerWaalsContact C-N 3.32Å; V51-Q53 PolarHBondContact O-N 3.26Å; V51-Q54 PolarHBondContact O-N 2.93Å; V51-L55 HydrophobicContact CG1-CD1 3.98Å; V51-L55 HydrophobicContact CG1-CG 4.49Å; V51-L55 WeakPolarHBondContact O-CG 3.39Å; V51-L55 PolarHBondContact O-N 2.95Å
52R92.7Very high90.7Very high13 Ų1346.1 Ų46.15%0.04923%0.227CC..Hα-helixtrans-68.1-29.817865.7178.174.1-1388.9113.1L42 E45 R49 D50 G56 N88 L89 C96 V113L42-R52 HydrophobicContact CD2-CB 3.76Å; E45-R52 IonicContact OE1-CZ 3.19Å; E45-R52 IonicContact OE1-NE 3.9Å; E45-R52 PolarHBondContact OE1-NE 3.19Å; E45-R52 IonicContact OE1-NH2 2.66Å; E45-R52 PolarHBondContact OE1-NH2 2.94Å; E45-R52 WeakPolarHBondContact OE2-CG 3.37Å; E45-R52 IonicContact OE2-CZ 3.24Å; E45-R52 IonicContact OE2-NE 2.74Å; E45-R52 PolarHBondContact OE2-NE 2.66Å; E45-R52 IonicContact OE2-NH2 3.66Å; R49-R52 HydrophobicContact CB-CG 3.79Å; R49-R52 VanDerWaalsContact O-CG 3.27Å; R49-R52 WeakPolarHBondContact O-CG 3.49Å; D50-R52 PolarHBondContact O-N 3.22Å; R52-G56 PolarHBondContact O-N 3.46Å; R52-N88 PolarHBondContact NH1-O 3.04Å; R52-L89 HydrophobicContact CB-CD2 4.34Å; R52-C96 PolarHBondContact NH1-SG 3.46Å; R52-V113 HydrophobicContact CG-CG2 4.24Å
53Q91.6Very high90.7Very high18 Ų1848 Ų488%0.08424%0.241CC..Hα-helixtrans-69.1-38.3172.5-76.4-173.376.800112.3T48 R49 D50 V51 A57 V113 Y116T48-Q53 PolarHBondContact O-NE2 2.96Å; R49-Q53 WeakPolarHBondContact O-CG 3.38Å; R49-Q53 PolarHBondContact O-N 2.82Å; D50-Q53 WeakPolarHBondContact O-CB 3.39Å; D50-Q53 PolarHBondContact O-N 3.04Å; D50-Q53 VanDerWaalsContact O-N 3.1Å; V51-Q53 VanDerWaalsContact C-N 3.32Å; V51-Q53 PolarHBondContact O-N 3.26Å; Q53-A57 WeakPolarHBondContact O-CB 3.48Å; Q53-A57 PolarHBondContact O-N 3.31Å; Q53-V113 HydrophobicContact CG-CG2 3.64Å; Q53-Y116 HydrophobicContact CB-CE2 4.21Å; Q53-Y116 HydrophobicContact CG-CE2 4.39Å; Q53-Y116 WeakPolarHBondContact O-CE2 3.43Å
54Q90.6Very high90.8Very high21 Ų2140.9 Ų40.910%0.09822%0.215CC..Hα-helixtrans-68.9-45.9177.1-70.3175.554.900111.4M6 N7 L10 D50 V51 G56 A57 A58M6-Q54 VanDerWaalsContact CA-OE1 3.28Å; M6-Q54 HydrophobicContact CB-CG 4.5Å; M6-Q54 HydrophobicContact CE-CB 4.07Å; M6-Q54 HydrophobicContact CG-CB 3.96Å; M6-Q54 HydrophobicContact CG-CG 3.95Å; N7-Q54 PolarHBondContact ND2-NE2 3.37Å; N7-Q54 VanDerWaalsContact ND2-NE2 3.17Å; L10-Q54 HydrophobicContact CD2-CB 3.58Å; L10-Q54 HydrophobicContact CD2-CG 4.39Å; D50-Q54 VanDerWaalsContact O-CG 3.3Å; D50-Q54 WeakPolarHBondContact O-CG 3.49Å; D50-Q54 PolarHBondContact O-N 2.83Å; D50-Q54 PolarHBondContact OD2-NE2 3.38Å; V51-Q54 PolarHBondContact O-N 2.93Å; Q54-G56 VanDerWaalsContact C-N 3.31Å; Q54-G56 PolarHBondContact O-N 3.1Å; Q54-A57 PolarHBondContact O-N 3Å; Q54-A58 PolarHBondContact O-N 2.99Å
55L92.6Very high91Very high0 Ų033.3 Ų33.30%018%0.18CC..Hα-helixtrans-62.9-35.9175.5-69.3173000112.8L10 C14 L38 L42 V51 Q59 I60 L89L10-L55 HydrophobicContact CD1-CD2 4.15Å; L10-L55 HydrophobicContact CD1-CG 4.4Å; L10-L55 HydrophobicContact CD2-CD2 4.47Å; L10-L55 HydrophobicContact CD2-CG 4.34Å; L10-L55 HydrophobicContact CG-CD2 4.34Å; C14-L55 VanDerWaalsContact SG-CD2 3.52Å; L38-L55 HydrophobicContact CD1-CD2 4.33Å; L38-L55 HydrophobicContact CD2-CD2 4.03Å; L42-L55 HydrophobicContact CD1-CD1 4.08Å; L42-L55 HydrophobicContact CD2-CD1 4.29Å; L42-L55 HydrophobicContact CG-CD1 4.21Å; V51-L55 HydrophobicContact CG1-CD1 3.98Å; V51-L55 HydrophobicContact CG1-CG 4.49Å; V51-L55 WeakPolarHBondContact O-CG 3.39Å; V51-L55 PolarHBondContact O-N 2.95Å; L55-Q59 PolarHBondContact O-N 3.26Å; L55-Q59 VanDerWaalsContact O-N 3.12Å; L55-I60 HydrophobicContact CD2-CB 4.41Å; L55-I60 HydrophobicContact CD2-CG1 3.87Å; L55-I60 PolarHBondContact O-N 2.9Å; L55-L89 HydrophobicContact CB-CD2 4.23Å; L55-L89 HydrophobicContact CD1-CD2 3.94Å
56G91.9Very high91.2Very high3 Ų333 Ų333%0.03118%0.179CC..Hα-helixtrans-69.8-36.517300000113.7R52 Q54 Q59 Y116 Y120R52-G56 PolarHBondContact O-N 3.46Å; Q54-G56 VanDerWaalsContact C-N 3.31Å; Q54-G56 PolarHBondContact O-N 3.1Å; G56-Q59 PolarHBondContact O-N 3.06Å; G56-Y116 VanDerWaalsContact C-CE1 3.47Å; G56-Y120 VanDerWaalsContact CA-OH 3.22Å; G56-Y120 WeakPolarHBondContact CA-OH 3.3Å
57A91.1Very high91.5Very high50 Ų5030.7 Ų30.741%0.41317%0.168SC..Hα-helixtrans-66-37174.100000112.5Q53 Q54 Q59Q53-A57 WeakPolarHBondContact O-CB 3.48Å; Q53-A57 PolarHBondContact O-N 3.31Å; Q54-A57 PolarHBondContact O-N 3Å; A57-Q59 VanDerWaalsContact C-N 3.32Å
58A90.3Very high92Very high31 Ų3124.8 Ų24.826%0.25614%0.14SC..THydrogen-bonded Turntrans-82.2-5176.300000114.2M6 Q54 I60M6-A58 HydrophobicContact CE-CB 3.83Å; M6-A58 HydrophobicContact SD-CB 4.05Å; Q54-A58 PolarHBondContact O-N 2.99Å; A58-I60 HydrophobicContact CB-CD1 3.77Å; A58-I60 HydrophobicContact CB-CG1 3.88Å; A58-I60 PolarHBondContact O-N 3.45Å
59Q93.1Very high92.4Very high103 Ų10323.1 Ų23.148%0.48113%0.13SC..THydrogen-bonded Turntrans56.829.9177.6-55.5-170.2-44.400114.8L55 G56 A57 L61 Q62 S63L55-Q59 PolarHBondContact O-N 3.26Å; L55-Q59 VanDerWaalsContact O-N 3.12Å; G56-Q59 PolarHBondContact O-N 3.06Å; A57-Q59 VanDerWaalsContact C-N 3.32Å; Q59-L61 PolarHBondContact O-N 3.24Å; Q59-L61 VanDerWaalsContact O-N 3.13Å; Q59-Q62 HydrophobicContact CB-CB 4.49Å; Q59-Q62 PolarHBondContact O-N 3.23Å; Q59-Q62 PolarHBondContact O-OE1 3.1Å; Q59-S63 PolarHBondContact O-N 2.8Å; Q59-S63 PolarHBondContact O-OG 3.24Å
60I94Very high92.5Very high10 Ų1023 Ų235%0.05114%0.135CC..Hα-helixtrans-57.3-33.2-174.5-55.6-56.5000112.5C14 L17 L38 L55 A58 Q62 D64 L65C14-I60 HydrophobicContact CB-CD1 3.73Å; C14-I60 HydrophobicContact CB-CG1 4.39Å; L17-I60 HydrophobicContact CD1-CG2 3.56Å; L38-I60 HydrophobicContact CD1-CG2 4.48Å; L55-I60 HydrophobicContact CD2-CB 4.41Å; L55-I60 HydrophobicContact CD2-CG1 3.87Å; L55-I60 PolarHBondContact O-N 2.9Å; A58-I60 HydrophobicContact CB-CD1 3.77Å; A58-I60 HydrophobicContact CB-CG1 3.88Å; A58-I60 PolarHBondContact O-N 3.45Å; I60-Q62 VanDerWaalsContact C-N 3.35Å; I60-Q62 PolarHBondContact O-N 3.4Å; I60-D64 HydrophobicContact CG2-CB 4.24Å; I60-D64 WeakPolarHBondContact O-CB 3.44Å; I60-D64 PolarHBondContact O-N 3.42Å; I60-L65 HydrophobicContact CG2-CG 4.3Å; I60-L65 PolarHBondContact O-N 3Å
61L94.1Very high92.6Very high1 Ų125 Ų251%0.00514%0.143CC..Iπ-helixtrans-64.6-40.8176.8-172.4146.8000112Q59 L65 L66 M86 L89 T90 Y120 F124Q59-L61 PolarHBondContact O-N 3.24Å; Q59-L61 VanDerWaalsContact O-N 3.13Å; L61-L65 HydrophobicContact CB-CD1 4.38Å; L61-L66 HydrophobicContact CD2-CD1 3.92Å; L61-L66 HydrophobicContact CD2-CG 4.15Å; L61-L66 WeakPolarHBondContact O-CG 3.49Å; L61-L66 PolarHBondContact O-N 3Å; L61-M86 HydrophobicContact CD1-CB 4.41Å; L61-M86 HydrophobicContact CD1-CG 4.03Å; L61-M86 HydrophobicContact CD1-SD 4.14Å; L61-M86 HydrophobicContact CG-CG 4.39Å; L61-M86 HydrophobicContact CG-SD 4.05Å; L61-L89 HydrophobicContact CD1-CB 4.36Å; L61-L89 HydrophobicContact CD1-CD1 4.45Å; L61-T90 HydrophobicContact CD1-CG2 4.28Å; L61-Y120 HydrophobicContact CB-CD1 3.81Å; L61-Y120 HydrophobicContact CB-CE1 3.69Å; L61-Y120 HydrophobicContact CD1-CD1 4.03Å; L61-Y120 HydrophobicContact CD1-CD2 4.1Å; L61-Y120 HydrophobicContact CD1-CE1 4.34Å; L61-Y120 HydrophobicContact CD1-CE2 4.41Å; L61-Y120 HydrophobicContact CD1-CG 3.92Å; L61-Y120 HydrophobicContact CD2-CD1 3.81Å; L61-Y120 HydrophobicContact CD2-CG 4.09Å; L61-Y120 HydrophobicContact CG-CD1 4.09Å; L61-Y120 HydrophobicContact CG-CE1 4.42Å; L61-Y120 HydrophobicContact CG-CG 4.42Å; L61-F124 HydrophobicContact CD1-CE2 4.29Å; L61-F124 HydrophobicContact CD2-CD2 4.23Å; L61-F124 HydrophobicContact CD2-CE2 3.81Å
62Q93.6Very high92.4Very high42 Ų4226.7 Ų26.720%0.19615%0.15CC..Iπ-helixtrans-78.5-43-180-61.294.4-31.900112.5Q59 I60 A119 A123Q59-Q62 HydrophobicContact CB-CB 4.49Å; Q59-Q62 PolarHBondContact O-N 3.23Å; Q59-Q62 PolarHBondContact O-OE1 3.1Å; I60-Q62 VanDerWaalsContact C-N 3.35Å; I60-Q62 PolarHBondContact O-N 3.4Å; Q62-A119 PolarHBondContact NE2-O 3.07Å; Q62-A123 HydrophobicContact CB-CB 4.43Å; Q62-A123 HydrophobicContact CG-CB 3.55Å
63S91.6Very high92Very high46 Ų4628.4 Ų28.432%0.32216%0.156SC..Iπ-helixtrans-77.1-37-174.3-57.90000113.4Q59 P67Q59-S63 PolarHBondContact O-N 2.8Å; Q59-S63 PolarHBondContact O-OG 3.24Å; S63-P67 WeakPolarHBondContact O-CG 3.47Å
64D92.7Very high91.8Very high18 Ų1837.1 Ų37.110%0.09620%0.197CC..Iπ-helixtrans-124.7-54.1-166.3-54.2-70.4000112.5L17 Y25 I60 L66 P67 I68L17-D64 HydrophobicContact CB-CB 4.49Å; L17-D64 HydrophobicContact CD1-CB 3.92Å; Y25-D64 HydrophobicContact CE2-CB 4.18Å; Y25-D64 WeakPolarHBondContact CE2-OD1 3.39Å; Y25-D64 WeakPolarHBondContact OH-CB 3.35Å; Y25-D64 PolarHBondContact OH-OD1 3.43Å; I60-D64 HydrophobicContact CG2-CB 4.24Å; I60-D64 WeakPolarHBondContact O-CB 3.44Å; I60-D64 PolarHBondContact O-N 3.42Å; D64-L66 PolarHBondContact O-N 2.77Å; D64-P67 WeakPolarHBondContact O-CD 3.47Å; D64-I68 HydrophobicContact CB-CD1 4.45Å; D64-I68 WeakPolarHBondContact O-CB 3.45Å; D64-I68 WeakPolarHBondContact O-CD1 3.4Å; D64-I68 WeakPolarHBondContact O-CG1 3.42Å; D64-I68 PolarHBondContact O-N 3.29Å
65L94.3Very high91.8Very high0 Ų038.4 Ų38.40%020%0.204CC..Iπ-helixtrans-67.7-40.9-171.1-54.6-176.2000112.8I60 L61 I68 L69 V82 L85 M86 L89I60-L65 HydrophobicContact CG2-CG 4.3Å; I60-L65 PolarHBondContact O-N 3Å; L61-L65 HydrophobicContact CB-CD1 4.38Å; L65-I68 PolarHBondContact O-N 3.12Å; L65-L69 VanDerWaalsContact O-CB 3.27Å; L65-L69 WeakPolarHBondContact O-CB 3.29Å; L65-L69 PolarHBondContact O-N 3.36Å; L65-V82 HydrophobicContact CB-CG1 4.08Å; L65-V82 HydrophobicContact CD2-CG1 4.41Å; L65-V82 HydrophobicContact CD2-CG2 4.37Å; L65-L85 HydrophobicContact CD1-CD2 3.65Å; L65-L85 HydrophobicContact CD1-CG 3.83Å; L65-L85 HydrophobicContact CD2-CD2 3.82Å; L65-L85 HydrophobicContact CG-CD2 4.4Å; L65-M86 HydrophobicContact CB-CG 4.11Å; L65-M86 HydrophobicContact CB-SD 3.93Å; L65-M86 HydrophobicContact CD1-CG 3.79Å; L65-L89 HydrophobicContact CD1-CD1 3.94Å
66L93.6Very high91.6Very high16 Ų1645.7 Ų45.78%0.08424%0.236CC..Hα-helixtrans-68-42.5176.3-77.9174000113.1L61 D64 L69 T70 M86 A123 F124 A129L61-L66 HydrophobicContact CD2-CD1 3.92Å; L61-L66 HydrophobicContact CD2-CG 4.15Å; L61-L66 WeakPolarHBondContact O-CG 3.49Å; L61-L66 PolarHBondContact O-N 3Å; D64-L66 PolarHBondContact O-N 2.77Å; L66-L69 HydrophobicContact CD2-CD2 4.26Å; L66-L69 PolarHBondContact O-N 3.37Å; L66-T70 WeakPolarHBondContact O-CB 3.46Å; L66-T70 WeakPolarHBondContact O-CG2 3.44Å; L66-T70 PolarHBondContact O-N 2.94Å; L66-T70 PolarHBondContact O-OG1 3.45Å; L66-M86 HydrophobicContact CD2-SD 4.4Å; L66-A123 HydrophobicContact CD1-CB 3.66Å; L66-F124 HydrophobicContact CD2-CD1 4.21Å; L66-F124 HydrophobicContact CD2-CE1 3.87Å; L66-F124 HydrophobicContact CD2-CE2 4.29Å; L66-F124 HydrophobicContact CD2-CZ 3.92Å; L66-A129 HydrophobicContact CD2-CB 4.16Å
67P93.6Very high91.6Very high17 Ų1749.1 Ų49.111%0.1126%0.258CS..Hα-helixtrans-61.9-41.5168.9-30.639.4000114.4L20 Y25 S63 D64 T70 Q71L20-P67 HydrophobicContact CD1-CG 4.42Å; L20-P67 HydrophobicContact CD2-CB 4.05Å; L20-P67 HydrophobicContact CD2-CG 4.1Å; Y25-P67 HydrophobicContact CD2-CB 3.56Å; Y25-P67 HydrophobicContact CD2-CG 4.32Å; Y25-P67 HydrophobicContact CE2-CB 4.42Å; Y25-P67 HydrophobicContact CG-CB 3.84Å; S63-P67 WeakPolarHBondContact O-CG 3.47Å; D64-P67 WeakPolarHBondContact O-CD 3.47Å; P67-T70 PolarHBondContact O-N 3.15Å; P67-T70 PolarHBondContact O-OG1 3.35Å; P67-Q71 WeakPolarHBondContact O-CB 3.41Å; P67-Q71 WeakPolarHBondContact O-CG 3.45Å; P67-Q71 PolarHBondContact O-N 3.3Å
68I93.8Very high91.7Very high3 Ų346.9 Ų46.92%0.01524%0.239CC..Hα-helixtrans-62.1-46.4175.1-66.1162.7000110.4Y25 D64 L65 T70 H72 L78 V82Y25-I68 HydrophobicContact CD1-CD1 4.5Å; Y25-I68 HydrophobicContact CD1-CG1 3.66Å; Y25-I68 HydrophobicContact CE1-CD1 3.72Å; Y25-I68 HydrophobicContact CE1-CG1 3.37Å; Y25-I68 HydrophobicContact CG-CG1 4.41Å; D64-I68 HydrophobicContact CB-CD1 4.45Å; D64-I68 WeakPolarHBondContact O-CB 3.45Å; D64-I68 WeakPolarHBondContact O-CD1 3.4Å; D64-I68 WeakPolarHBondContact O-CG1 3.42Å; D64-I68 PolarHBondContact O-N 3.29Å; L65-I68 PolarHBondContact O-N 3.12Å; I68-T70 PolarHBondContact O-N 3.22Å; I68-H72 HydrophobicContact CG2-CB 4.29Å; I68-H72 WeakPolarHBondContact O-CA 3.49Å; I68-H72 WeakPolarHBondContact O-CB 3.24Å; I68-H72 PolarHBondContact O-N 3.37Å; I68-L78 HydrophobicContact CG2-CD2 3.82Å; I68-L78 HydrophobicContact CG2-CG 4Å; I68-V82 HydrophobicContact CG2-CG2 3.86Å
69L93.8Very high91.9Very high1 Ų145.9 Ų45.91%0.00523%0.229CC..Hα-helixtrans-55.3-50.5176.1-176.883000111.5L65 L66 F79 I83 M86 V132L65-L69 VanDerWaalsContact O-CB 3.27Å; L65-L69 WeakPolarHBondContact O-CB 3.29Å; L65-L69 PolarHBondContact O-N 3.36Å; L66-L69 HydrophobicContact CD2-CD2 4.26Å; L66-L69 PolarHBondContact O-N 3.37Å; L69-F79 HydrophobicContact CD1-CD2 3.96Å; L69-F79 HydrophobicContact CD1-CE2 3.39Å; L69-F79 HydrophobicContact CD1-CZ 3.84Å; L69-F79 HydrophobicContact CG-CE2 4.17Å; L69-I83 HydrophobicContact CD1-CD1 3.6Å; L69-I83 HydrophobicContact CD1-CG1 4.12Å; L69-M86 HydrophobicContact CD1-CE 4.1Å; L69-M86 HydrophobicContact CD2-CE 3.97Å; L69-M86 HydrophobicContact CG-CE 4.44Å; L69-V132 HydrophobicContact CG-CG1 4.15Å
70T91.2Very high91.9Very high44 Ų4442.7 Ų42.727%0.2722%0.215SC..Hα-helixtrans-79-23.5-172.152.20000114.4L66 P67 I68 K128 A129L66-T70 WeakPolarHBondContact O-CB 3.46Å; L66-T70 WeakPolarHBondContact O-CG2 3.44Å; L66-T70 PolarHBondContact O-N 2.94Å; L66-T70 PolarHBondContact O-OG1 3.45Å; P67-T70 PolarHBondContact O-N 3.15Å; P67-T70 PolarHBondContact O-OG1 3.35Å; I68-T70 PolarHBondContact O-N 3.22Å; T70-K128 HydrophobicContact CG2-CB 4.17Å; T70-A129 HydrophobicContact CG2-CB 4.47Å
71Q91.1Very high92Very high79 Ų7942.3 Ų42.337%0.36921%0.213SC..Hα-helixtrans-109.2-28.6-176.2-56.3-167.811.500114.2D23 P67D23-Q71 PolarHBondContact O-NE2 2.99Å; P67-Q71 WeakPolarHBondContact O-CB 3.41Å; P67-Q71 WeakPolarHBondContact O-CG 3.45Å; P67-Q71 PolarHBondContact O-N 3.3Å
72H88.4Confident92.1Very high44 Ų4442.3 Ų42.320%0.20421%0.213CC..  trans-110.818.5-170.3-69.5-88.4000115Y25 K27 I68 Q74 D75Y25-H72 PolarHBondContact O-NE2 3.47Å; K27-H72 WeakPolarHBondContact CE-ND1 3.27Å; I68-H72 HydrophobicContact CG2-CB 4.29Å; I68-H72 WeakPolarHBondContact O-CA 3.49Å; I68-H72 WeakPolarHBondContact O-CB 3.24Å; I68-H72 PolarHBondContact O-N 3.37Å; H72-Q74 PolarHBondContact O-N 3.13Å; H72-D75 WeakPolarHBondContact O-CB 3.48Å; H72-D75 PolarHBondContact O-N 2.89Å
73R85.7Confident92.1Very high50 Ų5040.3 Ų40.319%0.18920%0.204CC..THydrogen-bonded Turntrans-46-31.3-179.5-179.6-176.3171.1-163.5-6.1116D75 F79 E135 T136 E139R73-D75 PolarHBondContact O-N 2.96Å; R73-F79 HydrophobicContact CB-CD2 4.23Å; R73-F79 HydrophobicContact CB-CE2 4.36Å; R73-F79 HydrophobicContact CG-CD2 4.16Å; R73-F79 HydrophobicContact CG-CE2 4.08Å; R73-E135 IonicContact CZ-OE2 3.21Å; R73-E135 IonicContact NH1-OE2 2.86Å; R73-E135 PolarHBondContact NH1-OE2 3.49Å; R73-E135 PolarHBondContact NH2-O 3.5Å; R73-T136 PolarHBondContact NE-OG1 3.11Å; R73-E139 IonicContact CZ-OE2 2.74Å; R73-E139 IonicContact NH2-OE1 3.2Å; R73-E139 PolarHBondContact NH2-OE1 3.08Å; R73-E139 IonicContact NH2-OE2 2.72Å; R73-E139 PolarHBondContact NH2-OE2 3Å
74Q86.6Confident92.3Very high200 Ų20041.6 Ų41.694%0.93520%0.202SC*.THydrogen-bonded Turntrans-60.7-24.4178.5-63.7-177.74.600113.1H72 K76H72-Q74 PolarHBondContact O-N 3.13Å; Q74-K76 PolarHBondContact O-N 3.37Å; Q74-K76 VanDerWaalsContact O-N 3.12Å
75D90.8Very high92.5Very high48 Ų4840.8 Ų40.826%0.25720%0.197SC..  trans-84.674.3177-165.9-17.1000110.5K27 H72 R73 P77 L78 F79K27-D75 IonicContact NZ-OD2 2.66Å; K27-D75 PolarHBondContact NZ-OD2 3.48Å; H72-D75 WeakPolarHBondContact O-CB 3.48Å; H72-D75 PolarHBondContact O-N 2.89Å; R73-D75 PolarHBondContact O-N 2.96Å; D75-P77 VanDerWaalsContact C-CD 3.46Å; D75-P77 WeakPolarHBondContact OD1-CD 3.5Å; D75-P77 WeakPolarHBondContact OD1-CG 3.21Å; D75-L78 HydrophobicContact CB-CB 3.99Å; D75-L78 HydrophobicContact CB-CD2 4.45Å; D75-L78 VanDerWaalsContact CG-CB 3.47Å; D75-L78 WeakPolarHBondContact O-CB 3.47Å; D75-L78 PolarHBondContact O-N 3.42Å; D75-F79 PolarHBondContact O-N 3.35Å
76K88.9Confident92.5Very high154 Ų15440.8 Ų40.867%0.6720%0.197SC*.Hα-helixtrans-43.3-49.2-177.7-75.7-161.5170.8-159.20115.2Q74 L78 F79 D80Q74-K76 PolarHBondContact O-N 3.37Å; Q74-K76 VanDerWaalsContact O-N 3.12Å; K76-L78 VanDerWaalsContact C-N 3.34Å; K76-L78 PolarHBondContact O-N 2.77Å; K76-F79 PolarHBondContact O-N 3.38Å; K76-D80 PolarHBondContact O-N 3.13Å
77P91.8Very high92.6Very high75 Ų7541 Ų4149%0.48720%0.199SC..Hα-helixtrans-70.8-27.2-178.728.5-35.4000113.4L32 D75 A81L32-P77 HydrophobicContact CD1-CB 4.43Å; L32-P77 WeakPolarHBondContact CD1-O 3.44Å; L32-P77 HydrophobicContact CD2-CB 4.3Å; L32-P77 HydrophobicContact CD2-CG 4.35Å; D75-P77 VanDerWaalsContact C-CD 3.46Å; D75-P77 WeakPolarHBondContact OD1-CD 3.5Å; D75-P77 WeakPolarHBondContact OD1-CG 3.21Å; P77-A81 VanDerWaalsContact O-CB 3.32Å; P77-A81 WeakPolarHBondContact O-CB 3.41Å; P77-A81 PolarHBondContact O-N 2.87Å
78L93.7Very high92.7Very high2 Ų241.4 Ų41.41%0.0120%0.201CC..Hα-helixtrans-73.6-41.3170.6-179.461.5000111.1K27 L32 V35 I68 D75 K76 A81 V82K27-L78 HydrophobicContact CD-CD2 3.75Å; L32-L78 HydrophobicContact CB-CD1 4.38Å; L32-L78 HydrophobicContact CD1-CB 4.3Å; L32-L78 HydrophobicContact CD1-CD1 4.39Å; V35-L78 HydrophobicContact CG2-CD1 4.23Å; I68-L78 HydrophobicContact CG2-CD2 3.82Å; I68-L78 HydrophobicContact CG2-CG 4Å; D75-L78 HydrophobicContact CB-CB 3.99Å; D75-L78 HydrophobicContact CB-CD2 4.45Å; D75-L78 VanDerWaalsContact CG-CB 3.47Å; D75-L78 WeakPolarHBondContact O-CB 3.47Å; D75-L78 PolarHBondContact O-N 3.42Å; K76-L78 VanDerWaalsContact C-N 3.34Å; K76-L78 PolarHBondContact O-N 2.77Å; L78-A81 PolarHBondContact O-N 3.47Å; L78-V82 HydrophobicContact CD1-CG2 4.17Å; L78-V82 HydrophobicContact CG-CG2 4.43Å; L78-V82 WeakPolarHBondContact O-CB 3.29Å; L78-V82 WeakPolarHBondContact O-CG2 3.34Å; L78-V82 PolarHBondContact O-N 2.86Å
79F93.8Very high92.7Very high11 Ų1141.6 Ų41.65%0.04820%0.202CC..Hα-helixtrans-59.2-50.4177.1-173.7-90.5000111.8L69 R73 D75 K76 A81 V82 I83 V132 T136L69-F79 HydrophobicContact CD1-CD2 3.96Å; L69-F79 HydrophobicContact CD1-CE2 3.39Å; L69-F79 HydrophobicContact CD1-CZ 3.84Å; L69-F79 HydrophobicContact CG-CE2 4.17Å; R73-F79 HydrophobicContact CB-CD2 4.23Å; R73-F79 HydrophobicContact CB-CE2 4.36Å; R73-F79 HydrophobicContact CG-CD2 4.16Å; R73-F79 HydrophobicContact CG-CE2 4.08Å; D75-F79 PolarHBondContact O-N 3.35Å; K76-F79 PolarHBondContact O-N 3.38Å; F79-A81 VanDerWaalsContact C-N 3.35Å; F79-A81 PolarHBondContact O-N 2.94Å; F79-V82 PolarHBondContact O-N 3.24Å; F79-I83 HydrophobicContact CD1-CG1 4.03Å; F79-I83 HydrophobicContact CE1-CD1 4.29Å; F79-I83 HydrophobicContact CE1-CG1 3.77Å; F79-I83 HydrophobicContact CZ-CD1 4.3Å; F79-I83 HydrophobicContact CZ-CG1 4.19Å; F79-I83 WeakPolarHBondContact O-CB 3.47Å; F79-I83 VanDerWaalsContact O-CG1 3.31Å; F79-I83 WeakPolarHBondContact O-CG1 3.41Å; F79-I83 PolarHBondContact O-N 3.39Å; F79-V132 HydrophobicContact CE2-CG1 3.67Å; F79-V132 HydrophobicContact CZ-CG1 4.1Å; F79-T136 HydrophobicContact CE1-CG2 3.82Å; F79-T136 HydrophobicContact CZ-CG2 4.16Å
80D93.6Very high92.7Very high36 Ų3641.6 Ų41.619%0.19320%0.202CC..Hα-helixtrans-60.7-42.5175177.457.4000112.2K76 V82 I83 R84 R158K76-D80 PolarHBondContact O-N 3.13Å; D80-V82 PolarHBondContact O-N 3.48Å; D80-I83 PolarHBondContact O-N 3.25Å; D80-R84 VanDerWaalsContact O-CB 3.24Å; D80-R84 WeakPolarHBondContact O-CB 3.31Å; D80-R84 PolarHBondContact O-N 3.29Å; D80-R84 IonicContact OD2-NH1 3.82Å; D80-R158 IonicContact OD1-CZ 3.03Å; D80-R158 IonicContact OD1-NH1 2.7Å; D80-R158 PolarHBondContact OD1-NH1 3.3Å; D80-R158 IonicContact OD2-NH1 3.72Å; D80-R158 PolarHBondContact OD2-NH1 2.86Å
81A94.9Very high92.7Very high2 Ų242 Ų422%0.01720%0.2CC..Hα-helixtrans-61.5-43.1177.900000111.8L32 V35 I39 P77 L78 F79 R84 L85L32-A81 HydrophobicContact CD1-CB 4.1Å; V35-A81 HydrophobicContact CB-CB 4.45Å; V35-A81 HydrophobicContact CG1-CB 3.69Å; V35-A81 WeakPolarHBondContact CG1-O 3.33Å; I39-A81 WeakPolarHBondContact CD1-O 3.39Å; P77-A81 VanDerWaalsContact O-CB 3.32Å; P77-A81 WeakPolarHBondContact O-CB 3.41Å; P77-A81 PolarHBondContact O-N 2.87Å; L78-A81 PolarHBondContact O-N 3.47Å; F79-A81 VanDerWaalsContact C-N 3.35Å; F79-A81 PolarHBondContact O-N 2.94Å; A81-R84 PolarHBondContact O-N 3.41Å; A81-L85 WeakPolarHBondContact O-CB 3.44Å; A81-L85 PolarHBondContact O-N 2.83Å
82V95.8Very high92.7Very high0 Ų039 Ų390%019%0.188CC..Hα-helixtrans-66-46.5176.6168.40000111.3V35 L65 I68 L78 F79 D80 R84 L85 M86V35-V82 HydrophobicContact CG1-CG2 4.2Å; V35-V82 HydrophobicContact CG2-CG2 4.16Å; L65-V82 HydrophobicContact CB-CG1 4.08Å; L65-V82 HydrophobicContact CD2-CG1 4.41Å; L65-V82 HydrophobicContact CD2-CG2 4.37Å; I68-V82 HydrophobicContact CG2-CG2 3.86Å; L78-V82 HydrophobicContact CD1-CG2 4.17Å; L78-V82 HydrophobicContact CG-CG2 4.43Å; L78-V82 WeakPolarHBondContact O-CB 3.29Å; L78-V82 WeakPolarHBondContact O-CG2 3.34Å; L78-V82 PolarHBondContact O-N 2.86Å; F79-V82 PolarHBondContact O-N 3.24Å; D80-V82 PolarHBondContact O-N 3.48Å; V82-R84 VanDerWaalsContact C-N 3.33Å; V82-R84 PolarHBondContact O-N 3.01Å; V82-L85 PolarHBondContact O-N 3.14Å; V82-M86 HydrophobicContact CG1-CE 4.26Å; V82-M86 HydrophobicContact CG1-CG 4.45Å; V82-M86 WeakPolarHBondContact O-CG 3.43Å; V82-M86 PolarHBondContact O-N 3.49Å
83I95.4Very high92.6Very high0 Ų037.1 Ų37.10%018%0.18CC..Hα-helixtrans-55.2-49.1174.1-73.1-68.9000110.4L69 F79 D80 L85 M86 V87 L133 L155 R158 L162L69-I83 HydrophobicContact CD1-CD1 3.6Å; L69-I83 HydrophobicContact CD1-CG1 4.12Å; F79-I83 HydrophobicContact CD1-CG1 4.03Å; F79-I83 HydrophobicContact CE1-CD1 4.29Å; F79-I83 HydrophobicContact CE1-CG1 3.77Å; F79-I83 HydrophobicContact CZ-CD1 4.3Å; F79-I83 HydrophobicContact CZ-CG1 4.19Å; F79-I83 WeakPolarHBondContact O-CB 3.47Å; F79-I83 VanDerWaalsContact O-CG1 3.31Å; F79-I83 WeakPolarHBondContact O-CG1 3.41Å; F79-I83 PolarHBondContact O-N 3.39Å; D80-I83 PolarHBondContact O-N 3.25Å; I83-L85 VanDerWaalsContact C-N 3.32Å; I83-L85 PolarHBondContact O-N 3.09Å; I83-M86 HydrophobicContact CD1-CE 4.41Å; I83-M86 PolarHBondContact O-N 3.02Å; I83-V87 HydrophobicContact CG2-CG2 4.44Å; I83-V87 WeakPolarHBondContact O-CG2 3.34Å; I83-V87 PolarHBondContact O-N 2.96Å; I83-L133 HydrophobicContact CD1-CD2 3.49Å; I83-L133 VanDerWaalsContact CD1-CD2 3.49Å; I83-L155 HydrophobicContact CG2-CD1 4.25Å; I83-R158 HydrophobicContact CG2-CB 3.62Å; I83-L162 HydrophobicContact CD1-CD2 3.86Å
84R95.6Very high92.6Very high74 Ų7438.5 Ų38.528%0.27919%0.191SC..Hα-helixtrans-64.8-32.4180-166.4177.669.4-155-1.3113.1I39 D80 A81 V82 N88I39-R84 HydrophobicContact CD1-CB 4.34Å; D80-R84 VanDerWaalsContact O-CB 3.24Å; D80-R84 WeakPolarHBondContact O-CB 3.31Å; D80-R84 PolarHBondContact O-N 3.29Å; D80-R84 IonicContact OD2-NH1 3.82Å; A81-R84 PolarHBondContact O-N 3.41Å; V82-R84 VanDerWaalsContact C-N 3.33Å; V82-R84 PolarHBondContact O-N 3.01Å; R84-N88 PolarHBondContact O-N 3.47Å
85L95.8Very high92.6Very high0 Ų034.6 Ų34.60%018%0.176CC..Hα-helixtrans-68.9-46.3171.4177.655.1000111.3V35 L38 I39 L42 L65 A81 V82 I83 V87 N88 L89V35-L85 HydrophobicContact CG1-CB 4.29Å; V35-L85 HydrophobicContact CG1-CD2 4.02Å; L38-L85 HydrophobicContact CB-CD1 4.1Å; L38-L85 HydrophobicContact CB-CD2 3.96Å; L38-L85 HydrophobicContact CD1-CD2 3.87Å; I39-L85 HydrophobicContact CD1-CB 3.99Å; I39-L85 HydrophobicContact CG1-CB 3.84Å; I39-L85 HydrophobicContact CG1-CD1 3.96Å; I39-L85 HydrophobicContact CG1-CG 4.41Å; L42-L85 HydrophobicContact CD1-CD1 3.36Å; L65-L85 HydrophobicContact CD1-CD2 3.65Å; L65-L85 HydrophobicContact CD1-CG 3.83Å; L65-L85 HydrophobicContact CD2-CD2 3.82Å; L65-L85 HydrophobicContact CG-CD2 4.4Å; A81-L85 WeakPolarHBondContact O-CB 3.44Å; A81-L85 PolarHBondContact O-N 2.83Å; V82-L85 PolarHBondContact O-N 3.14Å; I83-L85 VanDerWaalsContact C-N 3.32Å; I83-L85 PolarHBondContact O-N 3.09Å; L85-V87 PolarHBondContact O-N 2.94Å; L85-N88 PolarHBondContact O-N 3.42Å; L85-L89 HydrophobicContact CD1-CD1 3.98Å; L85-L89 HydrophobicContact CD1-CG 4.1Å; L85-L89 HydrophobicContact CG-CD1 4Å; L85-L89 WeakPolarHBondContact O-CG 3.43Å; L85-L89 PolarHBondContact O-N 2.97Å
86M95.3Very high92.2Very high0 Ų032.8 Ų32.80%017%0.166CC..Hα-helixtrans-66.4-36.8178.9-66.8-157.3-60.700112.7L61 L65 L66 L69 V82 I83 N88 L89 T90 F124 L162L61-M86 HydrophobicContact CD1-CB 4.41Å; L61-M86 HydrophobicContact CD1-CG 4.03Å; L61-M86 HydrophobicContact CD1-SD 4.14Å; L61-M86 HydrophobicContact CG-CG 4.39Å; L61-M86 HydrophobicContact CG-SD 4.05Å; L65-M86 HydrophobicContact CB-CG 4.11Å; L65-M86 HydrophobicContact CB-SD 3.93Å; L65-M86 HydrophobicContact CD1-CG 3.79Å; L66-M86 HydrophobicContact CD2-SD 4.4Å; L69-M86 HydrophobicContact CD1-CE 4.1Å; L69-M86 HydrophobicContact CD2-CE 3.97Å; L69-M86 HydrophobicContact CG-CE 4.44Å; V82-M86 HydrophobicContact CG1-CE 4.26Å; V82-M86 HydrophobicContact CG1-CG 4.45Å; V82-M86 WeakPolarHBondContact O-CG 3.43Å; V82-M86 PolarHBondContact O-N 3.49Å; I83-M86 HydrophobicContact CD1-CE 4.41Å; I83-M86 PolarHBondContact O-N 3.02Å; M86-N88 VanDerWaalsContact C-N 3.28Å; M86-N88 PolarHBondContact O-N 3.05Å; M86-L89 PolarHBondContact O-N 3.33Å; M86-T90 VanDerWaalsContact O-CB 3.3Å; M86-T90 WeakPolarHBondContact O-CB 3.3Å; M86-T90 WeakPolarHBondContact O-CG2 3.38Å; M86-T90 PolarHBondContact O-N 2.84Å; M86-T90 PolarHBondContact O-OG1 2.88Å; M86-F124 HydrophobicContact CE-CE1 4.39Å; M86-F124 HydrophobicContact CE-CZ 3.79Å; M86-F124 HydrophobicContact SD-CE2 4.22Å; M86-F124 HydrophobicContact SD-CZ 3.7Å; M86-L162 HydrophobicContact CB-CD1 3.87Å; M86-L162 HydrophobicContact CE-CD2 3.93Å
87V95.8Very high92Very high20 Ų2026.9 Ų26.912%0.12114%0.141CC..Hα-helixtrans-58.7-39.4172.5170.30000111.4I83 L85 T90 R158 L161 L162 N165I83-V87 HydrophobicContact CG2-CG2 4.44Å; I83-V87 WeakPolarHBondContact O-CG2 3.34Å; I83-V87 PolarHBondContact O-N 2.96Å; L85-V87 PolarHBondContact O-N 2.94Å; V87-T90 PolarHBondContact O-OG1 2.78Å; V87-R158 HydrophobicContact CG2-CB 4.2Å; V87-R158 WeakPolarHBondContact CG2-O 3.44Å; V87-L161 HydrophobicContact CG1-CB 4.13Å; V87-L162 HydrophobicContact CG2-CB 3.84Å; V87-N165 PolarHBondContact O-ND2 2.92Å
88N94.4Very high91.4Very high27 Ų2726.6 Ų26.614%0.14415%0.151CC..Hα-helixtrans-70.6-49.8176.3-173.5-62.7000111.8R52 R84 L85 M86 T90 Q91R52-N88 PolarHBondContact NH1-O 3.04Å; R84-N88 PolarHBondContact O-N 3.47Å; L85-N88 PolarHBondContact O-N 3.42Å; M86-N88 VanDerWaalsContact C-N 3.28Å; M86-N88 PolarHBondContact O-N 3.05Å; N88-T90 PolarHBondContact O-N 3.44Å; N88-Q91 WeakPolarHBondContact O-CB 3.2Å; N88-Q91 VanDerWaalsContact O-CG 3.24Å; N88-Q91 WeakPolarHBondContact O-CG 3.34Å; N88-Q91 PolarHBondContact O-N 2.82Å; N88-Q91 VanDerWaalsContact O-N 3.15Å; N88-Q91 PolarHBondContact O-OE1 2.83Å
89L93.8Very high90.6Very high7 Ų729.3 Ų29.34%0.03717%0.17CC..Hα-helixtrans-62.2-27.2180-73.2175.2000113.7L42 R52 L55 L61 L65 L85 M86 L117 Y120L42-L89 HydrophobicContact CD1-CD2 3.81Å; L42-L89 HydrophobicContact CD1-CG 4.06Å; L42-L89 HydrophobicContact CD2-CD2 4.16Å; R52-L89 HydrophobicContact CB-CD2 4.34Å; L55-L89 HydrophobicContact CB-CD2 4.23Å; L55-L89 HydrophobicContact CD1-CD2 3.94Å; L61-L89 HydrophobicContact CD1-CB 4.36Å; L61-L89 HydrophobicContact CD1-CD1 4.45Å; L65-L89 HydrophobicContact CD1-CD1 3.94Å; L85-L89 HydrophobicContact CD1-CD1 3.98Å; L85-L89 HydrophobicContact CD1-CG 4.1Å; L85-L89 HydrophobicContact CG-CD1 4Å; L85-L89 WeakPolarHBondContact O-CG 3.43Å; L85-L89 PolarHBondContact O-N 2.97Å; M86-L89 PolarHBondContact O-N 3.33Å; L89-L117 VanDerWaalsContact O-CD2 3.31Å; L89-L117 WeakPolarHBondContact O-CD2 3.44Å; L89-Y120 HydrophobicContact CB-CE2 4.27Å; L89-Y120 WeakPolarHBondContact O-CE2 3.39Å
90T93.9Very high89.9Confident1 Ų133.6 Ų33.61%0.00619%0.193CC..THydrogen-bonded Turntrans-91.30.5179.558.30000114.2L61 M86 V87 N88 Y120 L162 N165 I166L61-T90 HydrophobicContact CD1-CG2 4.28Å; M86-T90 VanDerWaalsContact O-CB 3.3Å; M86-T90 WeakPolarHBondContact O-CB 3.3Å; M86-T90 WeakPolarHBondContact O-CG2 3.38Å; M86-T90 PolarHBondContact O-N 2.84Å; M86-T90 PolarHBondContact O-OG1 2.88Å; V87-T90 PolarHBondContact O-OG1 2.78Å; N88-T90 PolarHBondContact O-N 3.44Å; T90-Y120 HydrophobicContact CG2-CD2 4.46Å; T90-L162 HydrophobicContact CG2-CD1 4.1Å; T90-N165 WeakPolarHBondContact O-CB 3.47Å; T90-N165 WeakPolarHBondContact OG1-CB 3.43Å; T90-N165 PolarHBondContact OG1-ND2 2.92Å; T90-N165 VanDerWaalsContact OG1-ND2 3.09Å; T90-I166 HydrophobicContact CG2-CD1 3.55Å; T90-I166 HydrophobicContact CG2-CG1 4.22Å
91Q91.1Very high89.5Confident51 Ų5132.9 Ų32.924%0.23819%0.191CC..SBendtrans-51.8136.8178.8-78.5173-21.400112N88 A93 L117N88-Q91 WeakPolarHBondContact O-CB 3.2Å; N88-Q91 VanDerWaalsContact O-CG 3.24Å; N88-Q91 WeakPolarHBondContact O-CG 3.34Å; N88-Q91 PolarHBondContact O-N 2.82Å; N88-Q91 VanDerWaalsContact O-N 3.15Å; N88-Q91 PolarHBondContact O-OE1 2.83Å; Q91-A93 PolarHBondContact O-N 2.77Å; Q91-L117 WeakPolarHBondContact O-CD1 3.37Å
92P91Very high88.8Confident16 Ų1642.2 Ų42.210%0.10423%0.231CC..  trans-54130.3175.4-28.836.4000112.4L94 L95 C96P92-L94 PolarHBondContact O-N 3.05Å; P92-L95 WeakPolarHBondContact O-CB 3.37Å; P92-L95 PolarHBondContact O-N 3.22Å; P92-C96 PolarHBondContact O-N 3.23Å; P92-C96 PolarHBondContact O-SG 3.3Å
93A87.3Confident88.4Confident6 Ų647.8 Ų47.85%0.0526%0.257CS..Hα-helixtrans-55.8-27.9-178.600000113.6Q91 C96 F97 F110 V113 L117Q91-A93 PolarHBondContact O-N 2.77Å; A93-C96 PolarHBondContact O-N 3.13Å; A93-F97 WeakPolarHBondContact O-CD2 3.5Å; A93-F97 PolarHBondContact O-N 2.68Å; A93-F110 HydrophobicContact CB-CD2 4.31Å; A93-F110 HydrophobicContact CB-CE1 4.5Å; A93-F110 HydrophobicContact CB-CE2 3.85Å; A93-F110 HydrophobicContact CB-CZ 3.94Å; A93-F110 WeakPolarHBondContact O-CE2 3.29Å; A93-V113 HydrophobicContact CB-CG1 4.3Å; A93-L117 HydrophobicContact CB-CD1 4.03Å
94L85.6Confident87.9Confident79 Ų7953 Ų5341%0.41429%0.291SS..Hα-helixtrans-63.1-40.2172.7-70.2172.6000112.9P92 C96 G98 L100 F110P92-L94 PolarHBondContact O-N 3.05Å; L94-C96 VanDerWaalsContact C-N 3.35Å; L94-G98 CarbonylContact O-C 3.51Å; L94-G98 VanDerWaalsContact O-C 3.32Å; L94-G98 WeakPolarHBondContact O-CA 3.41Å; L94-G98 PolarHBondContact O-N 2.88Å; L94-L100 HydrophobicContact CD2-CD2 3.67Å; L94-L100 HydrophobicContact CD2-CG 3.82Å; L94-F110 HydrophobicContact CD2-CE2 4.05Å; L94-F110 HydrophobicContact CD2-CZ 3.89Å; L94-F110 HydrophobicContact CG-CZ 4.28Å
95L86.1Confident87.4Confident118 Ų11852.2 Ų52.262%0.61830%0.297SS*.Hα-helixtrans-69.4-35.9175.1-177.163.5000111.1P92 F97P92-L95 WeakPolarHBondContact O-CB 3.37Å; P92-L95 PolarHBondContact O-N 3.22Å; L95-F97 PolarHBondContact O-N 2.96Å
96C83.1Confident87Confident9 Ų955.4 Ų55.46%0.06131%0.311CS..Hα-helixtrans-68.1-32.5-177.8-54.20000113.6R49 R52 P92 A93 L94R49-C96 PolarHBondContact NE-O 3.15Å; R49-C96 VanDerWaalsContact NE-O 3.07Å; R52-C96 PolarHBondContact NH1-SG 3.46Å; P92-C96 PolarHBondContact O-N 3.23Å; P92-C96 PolarHBondContact O-SG 3.3Å; A93-C96 PolarHBondContact O-N 3.13Å; L94-C96 VanDerWaalsContact C-N 3.35Å
97F83.9Confident86.6Confident31 Ų3161.9 Ų61.914%0.13634%0.335CS..Hα-helixtrans-112.42.1179.9-68.1-84.2000113.3R49 A93 L95 S99 P101 H109 F110 V113R49-F97 HydrophobicContact CB-CE1 4.23Å; R49-F97 HydrophobicContact CB-CE2 4.47Å; R49-F97 HydrophobicContact CB-CZ 3.83Å; R49-F97 HydrophobicContact CG-CD1 4.09Å; R49-F97 HydrophobicContact CG-CE1 3.51Å; R49-F97 HydrophobicContact CG-CE2 4.04Å; R49-F97 HydrophobicContact CG-CZ 3.48Å; R49-F97 VanDerWaalsContact CG-CZ 3.48Å; A93-F97 WeakPolarHBondContact O-CD2 3.5Å; A93-F97 PolarHBondContact O-N 2.68Å; L95-F97 PolarHBondContact O-N 2.96Å; F97-S99 PolarHBondContact O-N 3.1Å; F97-P101 HydrophobicContact CB-CG 4.41Å; F97-H109 HydrophobicContact CE1-CB 4.36Å; F97-H109 HydrophobicContact CZ-CB 4.08Å; F97-F110 HydrophobicContact CB-CD2 4.12Å; F97-F110 HydrophobicContact CD2-CB 4.25Å; F97-F110 AromaticContact CD2-CD2 3.58Å; F97-F110 HydrophobicContact CD2-CD2 3.58Å; F97-F110 HydrophobicContact CD2-CE2 4.38Å; F97-F110 HydrophobicContact CD2-CG 4.34Å; F97-F110 HydrophobicContact CE2-CB 4.23Å; F97-F110 HydrophobicContact CE2-CD2 4.28Å; F97-F110 HydrophobicContact CG-CD2 4.05Å; F97-V113 HydrophobicContact CE2-CB 4.29Å; F97-V113 HydrophobicContact CE2-CG2 4.08Å; F97-V113 HydrophobicContact CZ-CG2 4.28Å
98G79.9Confident86.3Confident68 Ų6865.7 Ų65.770%0.70135%0.351SS*.SBendtrans67.4-44.6-176.200000115.6L94L94-G98 CarbonylContact O-C 3.51Å; L94-G98 VanDerWaalsContact O-C 3.32Å; L94-G98 WeakPolarHBondContact O-CA 3.41Å; L94-G98 PolarHBondContact O-N 2.88Å
99S77.6Confident86.1Confident59 Ų5966.4 Ų66.441%0.41335%0.354SS..SBendtrans-143.9165.4-179.470.20000111.3F97 P101F97-S99 PolarHBondContact O-N 3.1Å; S99-P101 WeakPolarHBondContact O-CD 3.27Å
100L78.9Confident85.9Confident101 Ų10166.9 Ų66.953%0.52936%0.356SS..  trans-69.1114.8178.4-74.9171.9000111.3L94 K102 F110L94-L100 HydrophobicContact CD2-CD2 3.67Å; L94-L100 HydrophobicContact CD2-CG 3.82Å; L100-K102 PolarHBondContact O-N 2.94Å; L100-F110 HydrophobicContact CD2-CE1 3.79Å; L100-F110 HydrophobicContact CD2-CE2 4.05Å; L100-F110 HydrophobicContact CD2-CZ 3.52Å
101P84.7Confident85.7Confident22 Ų2270.6 Ų70.614%0.14338%0.375CS..  trans-65.1134.5-174.4-2436.4000113F97 S99 F106 R107 F110F97-P101 HydrophobicContact CB-CG 4.41Å; S99-P101 WeakPolarHBondContact O-CD 3.27Å; P101-F106 HydrophobicContact CB-CB 3.61Å; P101-F106 HydrophobicContact CG-CB 4.08Å; P101-R107 HydrophobicContact CB-CB 4.49Å; P101-F110 HydrophobicContact CG-CB 4.1Å; P101-F110 HydrophobicContact CG-CD2 4.29Å; P101-F110 HydrophobicContact CG-CG 4.45Å
102K80.9Confident85.7Confident198 Ų19870.3 Ų70.386%0.86137%0.374SS*.  trans-89-26.6-178.7-67.6166-173.5160.10112.2L100L100-K102 PolarHBondContact O-N 2.94Å
103E85.6Confident85.7Confident116 Ų11669.9 Ų69.954%0.54237%0.371SS..SBendtrans-78.5145.7177.1-65.6-176.8-170.200112S105 F106 R107E103-S105 VanDerWaalsContact C-N 3.34Å; E103-S105 PolarHBondContact O-N 3.35Å; E103-F106 HydrophobicContact CB-CD2 4.4Å; E103-R107 WeakPolarHBondContact O-CB 3.34Å; E103-R107 PolarHBondContact O-N 3.38Å
104P85.9Confident85.9Confident111 Ų11171 Ų7172%0.72138%0.376SS*.Hα-helixtrans-67.3-31.9-175.227.5-34.7000113.5H108P104-H108 PolarHBondContact O-N 2.78Å
105S84.9Confident86.2Confident56 Ų5670 Ų7039%0.39237%0.373SS..Hα-helixtrans-63.6-67.1177.4430000111.7E103 R107 H108 H109E103-S105 VanDerWaalsContact C-N 3.34Å; E103-S105 PolarHBondContact O-N 3.35Å; S105-R107 PolarHBondContact O-N 2.82Å; S105-H108 WeakPolarHBondContact O-CA 3.48Å; S105-H108 WeakPolarHBondContact O-CB 3.44Å; S105-H108 PolarHBondContact O-N 3.4Å; S105-H109 PolarHBondContact O-N 2.8Å; S105-H109 VanDerWaalsContact O-N 3.15Å
106F86.5Confident86.5Confident68 Ų6865.9 Ų65.930%0.29835%0.349SS..Hα-helixtrans-60.7-28.9177.8-68.3-80000112.7E47 T48 P101 E103 H109 F110E47-F106 HydrophobicContact CB-CE1 4.36Å; T48-F106 HydrophobicContact CG2-CE1 3.95Å; P101-F106 HydrophobicContact CB-CB 3.61Å; P101-F106 HydrophobicContact CG-CB 4.08Å; E103-F106 HydrophobicContact CB-CD2 4.4Å; F106-H109 PolarHBondContact O-N 2.92Å; F106-F110 WeakPolarHBondContact O-CB 3.24Å; F106-F110 PolarHBondContact O-N 3Å
107R87.9Confident86.9Confident135 Ų13565.6 Ų65.651%0.50935%0.348SS..Hα-helixtrans-67.5-34.9172-176.3-176.3-179.191.69.8112.6P101 E103 S105 L111P101-R107 HydrophobicContact CB-CB 4.49Å; E103-R107 WeakPolarHBondContact O-CB 3.34Å; E103-R107 PolarHBondContact O-N 3.38Å; S105-R107 PolarHBondContact O-N 2.82Å; R107-L111 HydrophobicContact CG-CD1 4.21Å; R107-L111 WeakPolarHBondContact O-CB 3.47Å; R107-L111 VanDerWaalsContact O-CG 3.27Å; R107-L111 WeakPolarHBondContact O-CG 3.35Å; R107-L111 PolarHBondContact O-N 2.9Å; R107-L111 VanDerWaalsContact O-N 3.12Å
108H89.9Confident87.3Confident100 Ų10065 Ų6546%0.46335%0.345SS..Hα-helixtrans-64.9-48.2172.2177.230.9000110.4P104 S105 F110 L111 Q112P104-H108 PolarHBondContact O-N 2.78Å; S105-H108 WeakPolarHBondContact O-CA 3.48Å; S105-H108 WeakPolarHBondContact O-CB 3.44Å; S105-H108 PolarHBondContact O-N 3.4Å; H108-F110 PolarHBondContact O-N 3.16Å; H108-L111 PolarHBondContact O-N 2.65Å; H108-Q112 WeakPolarHBondContact O-CB 3.36Å; H108-Q112 PolarHBondContact O-N 2.96Å
109H89.1Confident87.8Confident42 Ų4263.2 Ų63.219%0.19432%0.324CS..Hα-helixtrans-58.1-45.6176.8-56.5153.9000112.3T48 F97 S105 F106 L111 Q112 V113T48-H109 WeakPolarHBondContact CB-ND1 3.31Å; F97-H109 HydrophobicContact CE1-CB 4.36Å; F97-H109 HydrophobicContact CZ-CB 4.08Å; S105-H109 PolarHBondContact O-N 2.8Å; S105-H109 VanDerWaalsContact O-N 3.15Å; F106-H109 PolarHBondContact O-N 2.92Å; H109-L111 VanDerWaalsContact C-N 3.35Å; H109-L111 PolarHBondContact O-N 3.31Å; H109-Q112 PolarHBondContact O-N 2.98Å; H109-V113 WeakPolarHBondContact O-CG2 3.49Å; H109-V113 PolarHBondContact O-N 2.86Å
110F90.6Very high88.5Confident18 Ų1860.7 Ų60.78%0.07931%0.305CS..Hα-helixtrans-56.4-46174.9-178.7-81.4000112.5A93 L94 F97 L100 P101 F106 H108 L114A93-F110 HydrophobicContact CB-CD2 4.31Å; A93-F110 HydrophobicContact CB-CE1 4.5Å; A93-F110 HydrophobicContact CB-CE2 3.85Å; A93-F110 HydrophobicContact CB-CZ 3.94Å; A93-F110 WeakPolarHBondContact O-CE2 3.29Å; L94-F110 HydrophobicContact CD2-CE2 4.05Å; L94-F110 HydrophobicContact CD2-CZ 3.89Å; L94-F110 HydrophobicContact CG-CZ 4.28Å; F97-F110 HydrophobicContact CB-CD2 4.12Å; F97-F110 HydrophobicContact CD2-CB 4.25Å; F97-F110 AromaticContact CD2-CD2 3.58Å; F97-F110 HydrophobicContact CD2-CD2 3.58Å; F97-F110 HydrophobicContact CD2-CE2 4.38Å; F97-F110 HydrophobicContact CD2-CG 4.34Å; F97-F110 HydrophobicContact CE2-CB 4.23Å; F97-F110 HydrophobicContact CE2-CD2 4.28Å; F97-F110 HydrophobicContact CG-CD2 4.05Å; L100-F110 HydrophobicContact CD2-CE1 3.79Å; L100-F110 HydrophobicContact CD2-CE2 4.05Å; L100-F110 HydrophobicContact CD2-CZ 3.52Å; P101-F110 HydrophobicContact CG-CB 4.1Å; P101-F110 HydrophobicContact CG-CD2 4.29Å; P101-F110 HydrophobicContact CG-CG 4.45Å; F106-F110 WeakPolarHBondContact O-CB 3.24Å; F106-F110 PolarHBondContact O-N 3Å; H108-F110 PolarHBondContact O-N 3.16Å; F110-L114 WeakPolarHBondContact O-CB 3.39Å; F110-L114 PolarHBondContact O-N 2.86Å
111L89.4Confident89.1Confident78 Ų7856 Ų5641%0.40828%0.281SS..Hα-helixtrans-70.5-34.6178.8-69.1170.8000111.9R107 H108 H109 L114 T115R107-L111 HydrophobicContact CG-CD1 4.21Å; R107-L111 WeakPolarHBondContact O-CB 3.47Å; R107-L111 VanDerWaalsContact O-CG 3.27Å; R107-L111 WeakPolarHBondContact O-CG 3.35Å; R107-L111 PolarHBondContact O-N 2.9Å; R107-L111 VanDerWaalsContact O-N 3.12Å; H108-L111 PolarHBondContact O-N 2.65Å; H109-L111 VanDerWaalsContact C-N 3.35Å; H109-L111 PolarHBondContact O-N 3.31Å; L111-L114 HydrophobicContact CD2-CD2 4.48Å; L111-L114 WeakPolarHBondContact O-CB 3.49Å; L111-L114 PolarHBondContact O-N 2.97Å; L111-T115 PolarHBondContact O-N 3.41Å; L111-T115 PolarHBondContact O-OG1 2.77Å
112Q90.7Very high89.4Confident45 Ų4560.6 Ų60.621%0.2130%0.3CS..Hα-helixtrans-65.9-45.5176.3-165.266.727.700111.3H108 H109 L114 T115 Y116H108-Q112 WeakPolarHBondContact O-CB 3.36Å; H108-Q112 PolarHBondContact O-N 2.96Å; H109-Q112 PolarHBondContact O-N 2.98Å; Q112-L114 VanDerWaalsContact C-N 3.32Å; Q112-L114 PolarHBondContact O-N 3.17Å; Q112-T115 WeakPolarHBondContact O-CB 3.38Å; Q112-T115 PolarHBondContact O-N 3.33Å; Q112-Y116 HydrophobicContact CG-CE2 3.73Å; Q112-Y116 PolarHBondContact NE2-OH 3.46Å; Q112-Y116 VanDerWaalsContact O-CD2 3.29Å; Q112-Y116 WeakPolarHBondContact O-CD2 3.48Å; Q112-Y116 PolarHBondContact O-N 3.19Å; Q112-Y116 VanDerWaalsContact O-N 3.1Å
113V91.7Very high89.9Confident7 Ų752.5 Ų52.54%0.04227%0.271CS..Hα-helixtrans-60.2-42172.3172.80000110.8R52 Q53 A93 F97 H109 T115 Y116 L117R52-V113 HydrophobicContact CG-CG2 4.24Å; Q53-V113 HydrophobicContact CG-CG2 3.64Å; A93-V113 HydrophobicContact CB-CG1 4.3Å; F97-V113 HydrophobicContact CE2-CB 4.29Å; F97-V113 HydrophobicContact CE2-CG2 4.08Å; F97-V113 HydrophobicContact CZ-CG2 4.28Å; H109-V113 WeakPolarHBondContact O-CG2 3.49Å; H109-V113 PolarHBondContact O-N 2.86Å; V113-T115 VanDerWaalsContact C-N 3.34Å; V113-T115 PolarHBondContact O-N 3.18Å; V113-Y116 PolarHBondContact O-N 2.75Å; V113-L117 HydrophobicContact CG1-CD1 4.37Å; V113-L117 WeakPolarHBondContact O-CG 3.27Å; V113-L117 PolarHBondContact O-N 3.17Å
114L91.3Very high90.2Very high30 Ų3047 Ų4716%0.15725%0.245CC..Hα-helixtrans-61.4-39.6175.7-175.562.6000112.6F110 L111 Q112 L117 Q118 P170F110-L114 WeakPolarHBondContact O-CB 3.39Å; F110-L114 PolarHBondContact O-N 2.86Å; L111-L114 HydrophobicContact CD2-CD2 4.48Å; L111-L114 WeakPolarHBondContact O-CB 3.49Å; L111-L114 PolarHBondContact O-N 2.97Å; Q112-L114 VanDerWaalsContact C-N 3.32Å; Q112-L114 PolarHBondContact O-N 3.17Å; L114-L117 PolarHBondContact O-N 3.3Å; L114-Q118 WeakPolarHBondContact O-CG 3.43Å; L114-Q118 PolarHBondContact O-N 3Å; L114-P170 HydrophobicContact CD1-CG 3.89Å
115T91.7Very high90.4Very high59 Ų5943.3 Ų43.336%0.36222%0.223SC..Hα-helixtrans-63.1-39.8174.6-54.70000111.9L111 Q112 V113 Q118 A119L111-T115 PolarHBondContact O-N 3.41Å; L111-T115 PolarHBondContact O-OG1 2.77Å; Q112-T115 WeakPolarHBondContact O-CB 3.38Å; Q112-T115 PolarHBondContact O-N 3.33Å; V113-T115 VanDerWaalsContact C-N 3.34Å; V113-T115 PolarHBondContact O-N 3.18Å; T115-Q118 PolarHBondContact O-N 2.82Å; T115-A119 PolarHBondContact O-N 2.95Å
116Y92.1Very high90.6Very high30 Ų3042.8 Ų42.812%0.11822%0.22CC..Hα-helixtrans-67.3-41.3174.5-59-43.7000112.4Q53 G56 Q112 V113 Q118 A119 Y120Q53-Y116 HydrophobicContact CB-CE2 4.21Å; Q53-Y116 HydrophobicContact CG-CE2 4.39Å; Q53-Y116 WeakPolarHBondContact O-CE2 3.43Å; G56-Y116 VanDerWaalsContact C-CE1 3.47Å; Q112-Y116 HydrophobicContact CG-CE2 3.73Å; Q112-Y116 PolarHBondContact NE2-OH 3.46Å; Q112-Y116 VanDerWaalsContact O-CD2 3.29Å; Q112-Y116 WeakPolarHBondContact O-CD2 3.48Å; Q112-Y116 PolarHBondContact O-N 3.19Å; Q112-Y116 VanDerWaalsContact O-N 3.1Å; V113-Y116 PolarHBondContact O-N 2.75Å; Y116-Q118 PolarHBondContact O-N 2.98Å; Y116-A119 CarbonylContact O-C 3.53Å; Y116-A119 PolarHBondContact O-N 3.42Å; Y116-A119 VanDerWaalsContact O-N 3.13Å; Y116-Y120 WeakPolarHBondContact O-CD1 3.46Å; Y116-Y120 WeakPolarHBondContact O-CD2 3.46Å; Y116-Y120 PolarHBondContact O-N 3.42Å
117L92.6Very high90.8Very high4 Ų445 Ų452%0.02123%0.231CC..Hα-helixtrans-57.4-37.7173.4-70.1174.6000112.1L89 Q91 A93 V113 L114 Y120 K121 V169L89-L117 VanDerWaalsContact O-CD2 3.31Å; L89-L117 WeakPolarHBondContact O-CD2 3.44Å; Q91-L117 WeakPolarHBondContact O-CD1 3.37Å; A93-L117 HydrophobicContact CB-CD1 4.03Å; V113-L117 HydrophobicContact CG1-CD1 4.37Å; V113-L117 WeakPolarHBondContact O-CG 3.27Å; V113-L117 PolarHBondContact O-N 3.17Å; L114-L117 PolarHBondContact O-N 3.3Å; L117-Y120 HydrophobicContact CD2-CD2 4.18Å; L117-Y120 HydrophobicContact CD2-CE2 4.5Å; L117-Y120 PolarHBondContact O-N 3.27Å; L117-K121 WeakPolarHBondContact O-CB 3.35Å; L117-K121 PolarHBondContact O-N 2.83Å; L117-V169 HydrophobicContact CB-CG1 4.04Å; L117-V169 HydrophobicContact CB-CG2 3.96Å
118Q90.8Very high91Very high18 Ų1845.3 Ų45.38%0.08424%0.236CC..Hα-helixtrans-68.3-42.9175.2-72.3167.6-22.700112L114 T115 Y116 Y120 K121 E122 V169 P170 D172L114-Q118 WeakPolarHBondContact O-CG 3.43Å; L114-Q118 PolarHBondContact O-N 3Å; T115-Q118 PolarHBondContact O-N 2.82Å; Y116-Q118 PolarHBondContact O-N 2.98Å; Q118-Y120 VanDerWaalsContact C-N 3.29Å; Q118-Y120 PolarHBondContact O-N 2.91Å; Q118-K121 WeakPolarHBondContact O-CB 3.36Å; Q118-K121 PolarHBondContact O-N 3.49Å; Q118-K121 VanDerWaalsContact O-N 3.14Å; Q118-E122 PolarHBondContact O-N 2.68Å; Q118-V169 HydrophobicContact CG-CG1 3.78Å; Q118-P170 WeakPolarHBondContact CG-O 3.19Å; Q118-P170 PolarHBondContact NE2-O 3.44Å; Q118-D172 VanDerWaalsContact NE2-CG 3.34Å; Q118-D172 PolarHBondContact NE2-OD1 3.27Å
119A90.7Very high91.1Very high31 Ų3140.5 Ų40.526%0.25621%0.214SC..Hα-helixtrans-64.9-29.4173.500000113.2Q62 T115 Y116 A123Q62-A119 PolarHBondContact NE2-O 3.07Å; T115-A119 PolarHBondContact O-N 2.95Å; Y116-A119 CarbonylContact O-C 3.53Å; Y116-A119 PolarHBondContact O-N 3.42Å; Y116-A119 VanDerWaalsContact O-N 3.13Å; A119-A123 PolarHBondContact O-N 3.18Å
120Y92.8Very high91.3Very high5 Ų538.6 Ų38.62%0.0221%0.205CC..Hα-helixtrans-70.1-44.8169.5-55.9-27.3000110.9G56 L61 L89 T90 Y116 L117 Q118 E122 A123 F124G56-Y120 VanDerWaalsContact CA-OH 3.22Å; G56-Y120 WeakPolarHBondContact CA-OH 3.3Å; L61-Y120 HydrophobicContact CB-CD1 3.81Å; L61-Y120 HydrophobicContact CB-CE1 3.69Å; L61-Y120 HydrophobicContact CD1-CD1 4.03Å; L61-Y120 HydrophobicContact CD1-CD2 4.1Å; L61-Y120 HydrophobicContact CD1-CE1 4.34Å; L61-Y120 HydrophobicContact CD1-CE2 4.41Å; L61-Y120 HydrophobicContact CD1-CG 3.92Å; L61-Y120 HydrophobicContact CD2-CD1 3.81Å; L61-Y120 HydrophobicContact CD2-CG 4.09Å; L61-Y120 HydrophobicContact CG-CD1 4.09Å; L61-Y120 HydrophobicContact CG-CE1 4.42Å; L61-Y120 HydrophobicContact CG-CG 4.42Å; L89-Y120 HydrophobicContact CB-CE2 4.27Å; L89-Y120 WeakPolarHBondContact O-CE2 3.39Å; T90-Y120 HydrophobicContact CG2-CD2 4.46Å; Y116-Y120 WeakPolarHBondContact O-CD1 3.46Å; Y116-Y120 WeakPolarHBondContact O-CD2 3.46Å; Y116-Y120 PolarHBondContact O-N 3.42Å; L117-Y120 HydrophobicContact CD2-CD2 4.18Å; L117-Y120 HydrophobicContact CD2-CE2 4.5Å; L117-Y120 PolarHBondContact O-N 3.27Å; Q118-Y120 VanDerWaalsContact C-N 3.29Å; Q118-Y120 PolarHBondContact O-N 2.91Å; Y120-E122 PolarHBondContact O-N 3.25Å; Y120-A123 PolarHBondContact O-N 3.12Å; Y120-A123 VanDerWaalsContact O-N 3.09Å; Y120-F124 WeakPolarHBondContact O-CD2 3.28Å; Y120-F124 PolarHBondContact O-N 3.41Å
121K92.4Very high91.5Very high3 Ų338.4 Ų38.41%0.01321%0.208CC..Hα-helixtrans-54.9-40.6176.6-167.6-168.5-169.4750112L117 Q118 I166 L167 V169 V185 L189L117-K121 WeakPolarHBondContact O-CB 3.35Å; L117-K121 PolarHBondContact O-N 2.83Å; Q118-K121 WeakPolarHBondContact O-CB 3.36Å; Q118-K121 PolarHBondContact O-N 3.49Å; Q118-K121 VanDerWaalsContact O-N 3.14Å; K121-I166 PolarHBondContact NZ-O 2.85Å; K121-L167 PolarHBondContact NZ-O 3.43Å; K121-V169 HydrophobicContact CB-CB 4.28Å; K121-V169 HydrophobicContact CB-CG1 4.18Å; K121-V169 HydrophobicContact CD-CB 3.98Å; K121-V169 HydrophobicContact CD-CG1 4.07Å; K121-V169 WeakPolarHBondContact CE-O 3.33Å; K121-V169 HydrophobicContact CG-CB 4.34Å; K121-V169 PolarHBondContact NZ-O 2.96Å; K121-V185 HydrophobicContact CD-CG1 4.15Å; K121-V185 HydrophobicContact CG-CG1 4.05Å; K121-L189 HydrophobicContact CD-CD1 4.24Å; K121-L189 HydrophobicContact CG-CD1 3.54Å
122E90Very high91.8Very high118 Ų11835.5 Ų35.555%0.55119%0.194SC*.Hα-helixtrans-67.3-43.2174.7-72.7-177.1172.200112.8Q118 Y120 F124 A125 V185Q118-E122 PolarHBondContact O-N 2.68Å; Y120-E122 PolarHBondContact O-N 3.25Å; E122-F124 VanDerWaalsContact C-N 3.32Å; E122-F124 PolarHBondContact O-N 2.7Å; E122-A125 VanDerWaalsContact O-CB 3.25Å; E122-A125 WeakPolarHBondContact O-CB 3.47Å; E122-A125 PolarHBondContact O-N 3.01Å; E122-A125 VanDerWaalsContact O-N 3.09Å; E122-V185 HydrophobicContact CB-CG1 4.4Å; E122-V185 HydrophobicContact CG-CB 4.37Å; E122-V185 HydrophobicContact CG-CG1 3.69Å; E122-V185 HydrophobicContact CG-CG2 3.71Å
123A91.8Very high92Very high29 Ų2933.4 Ų33.424%0.2418%0.184CC..Hα-helixtrans-66.8-32.2178.500000113.3Q62 L66 A119 Y120 A125 S126Q62-A123 HydrophobicContact CB-CB 4.43Å; Q62-A123 HydrophobicContact CG-CB 3.55Å; L66-A123 HydrophobicContact CD1-CB 3.66Å; A119-A123 PolarHBondContact O-N 3.18Å; Y120-A123 PolarHBondContact O-N 3.12Å; Y120-A123 VanDerWaalsContact O-N 3.09Å; A123-A125 PolarHBondContact O-N 3.18Å; A123-S126 PolarHBondContact O-OG 3.05Å
124F92Very high92.1Very high1 Ų133.4 Ų33.40%0.00418%0.184CC..THydrogen-bonded Turntrans-71.8-7.8172.4-89.5-82.7000114.1L61 L66 M86 Y120 E122 S126 A129 F130 L162 I166 L189L61-F124 HydrophobicContact CD1-CE2 4.29Å; L61-F124 HydrophobicContact CD2-CD2 4.23Å; L61-F124 HydrophobicContact CD2-CE2 3.81Å; L66-F124 HydrophobicContact CD2-CD1 4.21Å; L66-F124 HydrophobicContact CD2-CE1 3.87Å; L66-F124 HydrophobicContact CD2-CE2 4.29Å; L66-F124 HydrophobicContact CD2-CZ 3.92Å; M86-F124 HydrophobicContact CE-CE1 4.39Å; M86-F124 HydrophobicContact CE-CZ 3.79Å; M86-F124 HydrophobicContact SD-CE2 4.22Å; M86-F124 HydrophobicContact SD-CZ 3.7Å; Y120-F124 WeakPolarHBondContact O-CD2 3.28Å; Y120-F124 PolarHBondContact O-N 3.41Å; E122-F124 VanDerWaalsContact C-N 3.32Å; E122-F124 PolarHBondContact O-N 2.7Å; F124-S126 PolarHBondContact O-N 3.43Å; F124-A129 HydrophobicContact CD1-CB 4.47Å; F124-F130 HydrophobicContact CB-CE2 4.42Å; F124-F130 HydrophobicContact CD1-CE2 4.45Å; F124-F130 WeakPolarHBondContact O-CD2 3.39Å; F124-F130 VanDerWaalsContact O-CE2 3.27Å; F124-F130 WeakPolarHBondContact O-CE2 3.45Å; F124-L162 HydrophobicContact CE1-CD2 4.22Å; F124-L162 HydrophobicContact CE1-CG 4.48Å; F124-L162 HydrophobicContact CZ-CD1 3.97Å; F124-L162 HydrophobicContact CZ-CD2 4.15Å; F124-L162 HydrophobicContact CZ-CG 4.31Å; F124-I166 HydrophobicContact CB-CD1 4.34Å; F124-I166 HydrophobicContact CB-CG1 4.46Å; F124-I166 HydrophobicContact CB-CG2 3.87Å; F124-I166 HydrophobicContact CD1-CG1 4.34Å; F124-I166 HydrophobicContact CD2-CD1 3.28Å; F124-I166 HydrophobicContact CD2-CG1 3.77Å; F124-I166 HydrophobicContact CE2-CD1 3.62Å; F124-I166 HydrophobicContact CE2-CG1 3.99Å; F124-I166 HydrophobicContact CG-CD1 3.89Å; F124-I166 HydrophobicContact CG-CG1 3.95Å; F124-I166 HydrophobicContact CG-CG2 4.25Å; F124-I166 HydrophobicContact CZ-CD1 4.47Å; F124-I166 HydrophobicContact CZ-CG1 4.37Å; F124-L189 HydrophobicContact CB-CD2 3.96Å; F124-L189 WeakPolarHBondContact O-CD2 3.36Å
125A89.4Confident92.3Very high32 Ų3237.2 Ų37.226%0.26420%0.201SC..  trans-74.446.8174.700000112.8E122 A123 Q188 L189E122-A125 VanDerWaalsContact O-CB 3.25Å; E122-A125 WeakPolarHBondContact O-CB 3.47Å; E122-A125 PolarHBondContact O-N 3.01Å; E122-A125 VanDerWaalsContact O-N 3.09Å; A123-A125 PolarHBondContact O-N 3.18Å; A125-Q188 HydrophobicContact CB-CB 4Å; A125-L189 HydrophobicContact CB-CD2 4.37Å
126S89.1Confident92.3Very high45 Ų4534.9 Ų34.932%0.31519%0.187SC..  trans-131.6126.7-178.157.70000111.7A123 F124 K128 A129 F130A123-S126 PolarHBondContact O-OG 3.05Å; F124-S126 PolarHBondContact O-N 3.43Å; S126-K128 VanDerWaalsContact C-N 3.3Å; S126-K128 PolarHBondContact O-N 3.11Å; S126-A129 PolarHBondContact O-N 2.88Å; S126-A129 VanDerWaalsContact O-N 3.15Å; S126-F130 PolarHBondContact O-N 2.9Å
127E91.8Very high92.5Very high114 Ų11433.5 Ų33.553%0.53318%0.181SC..Hα-helixtrans-54.3-42.2-179.7-175.1-175.6157.500112.5A129 F130 G131 L195E127-A129 VanDerWaalsContact C-N 3.3Å; E127-A129 PolarHBondContact O-N 3.35Å; E127-F130 PolarHBondContact O-N 3.28Å; E127-G131 PolarHBondContact O-N 3.47Å; E127-L195 HydrophobicContact CG-CB 4Å; E127-L195 HydrophobicContact CG-CD1 4.34Å
128K91.2Very high92.6Very high142 Ų14239 Ų3962%0.61720%0.203SC*.Hα-helixtrans-57.2-38.6178.4-68.2-175.2179.4-179.90113.3T70 S126 V132T70-K128 HydrophobicContact CG2-CB 4.17Å; S126-K128 VanDerWaalsContact C-N 3.3Å; S126-K128 PolarHBondContact O-N 3.11Å; K128-V132 WeakPolarHBondContact O-CG2 3.39Å; K128-V132 PolarHBondContact O-N 3.09Å
129A92.3Very high92.7Very high0 Ų043.5 Ų43.50%022%0.224CC..Hα-helixtrans-71.2-46.5-178.200000110.9L66 T70 F124 S126 E127 V132 L133L66-A129 HydrophobicContact CD2-CB 4.16Å; T70-A129 HydrophobicContact CG2-CB 4.47Å; F124-A129 HydrophobicContact CD1-CB 4.47Å; S126-A129 PolarHBondContact O-N 2.88Å; S126-A129 VanDerWaalsContact O-N 3.15Å; E127-A129 VanDerWaalsContact C-N 3.3Å; E127-A129 PolarHBondContact O-N 3.35Å; A129-V132 PolarHBondContact O-N 3.38Å; A129-L133 WeakPolarHBondContact O-CG 3.43Å; A129-L133 PolarHBondContact O-N 2.76Å
130F94Very high92.7Very high1 Ų142.4 Ų42.40%0.00421%0.214CC..Hα-helixtrans-68.2-37.5176.9-86.2-83.2000112.9F124 S126 E127 V132 L133 S134 V163 L189 A192 I193 S196 L198F124-F130 HydrophobicContact CB-CE2 4.42Å; F124-F130 HydrophobicContact CD1-CE2 4.45Å; F124-F130 WeakPolarHBondContact O-CD2 3.39Å; F124-F130 VanDerWaalsContact O-CE2 3.27Å; F124-F130 WeakPolarHBondContact O-CE2 3.45Å; S126-F130 PolarHBondContact O-N 2.9Å; E127-F130 PolarHBondContact O-N 3.28Å; F130-V132 PolarHBondContact O-N 2.74Å; F130-L133 PolarHBondContact O-N 3.29Å; F130-S134 VanDerWaalsContact O-CB 3.28Å; F130-S134 WeakPolarHBondContact O-CB 3.23Å; F130-S134 PolarHBondContact O-N 2.83Å; F130-V163 HydrophobicContact CE1-CG1 4.4Å; F130-V163 HydrophobicContact CE1-CG2 4.15Å; F130-L189 HydrophobicContact CE2-CD2 3.63Å; F130-L189 HydrophobicContact CZ-CD2 4.12Å; F130-A192 HydrophobicContact CD2-CB 3.98Å; F130-A192 HydrophobicContact CG-CB 4.43Å; F130-I193 HydrophobicContact CD1-CG1 3.69Å; F130-I193 HydrophobicContact CE1-CD1 4.06Å; F130-I193 HydrophobicContact CE1-CG1 3.5Å; F130-I193 VanDerWaalsContact CE1-CG1 3.5Å; F130-I193 HydrophobicContact CG-CG1 4.4Å; F130-I193 HydrophobicContact CZ-CD1 4.41Å; F130-I193 HydrophobicContact CZ-CG1 4.07Å; F130-S196 VanDerWaalsContact C-CB 3.49Å; F130-L198 HydrophobicContact CD1-CD2 3.66Å; F130-L198 HydrophobicContact CE1-CD2 3.97Å
131G94.2Very high92.6Very high14 Ų1442.8 Ų42.814%0.14422%0.216CC..Hα-helixtrans-56.7-47.7172.600000112.5E127 L133 S134 E135E127-G131 PolarHBondContact O-N 3.47Å; G131-L133 PolarHBondContact O-N 3.37Å; G131-S134 PolarHBondContact O-N 3.23Å; G131-E135 WeakPolarHBondContact O-CB 3.38Å; G131-E135 WeakPolarHBondContact O-CG 3.21Å; G131-E135 PolarHBondContact O-N 3.33Å
132V94.4Very high92.6Very high18 Ų1848.6 Ų48.611%0.10924%0.243CC..Hα-helixtrans-63.5-38.61771620000112.8L69 F79 K128 A129 F130 T136L69-V132 HydrophobicContact CG-CG1 4.15Å; F79-V132 HydrophobicContact CE2-CG1 3.67Å; F79-V132 HydrophobicContact CZ-CG1 4.1Å; K128-V132 WeakPolarHBondContact O-CG2 3.39Å; K128-V132 PolarHBondContact O-N 3.09Å; A129-V132 PolarHBondContact O-N 3.38Å; F130-V132 PolarHBondContact O-N 2.74Å; V132-T136 WeakPolarHBondContact O-CB 3.33Å; V132-T136 PolarHBondContact O-N 3.31Å; V132-T136 PolarHBondContact O-OG1 3.33Å
133L94.9Very high92.6Very high0 Ų046.3 Ų46.30%023%0.234CC..Hα-helixtrans-66.2-44.6174.3-66.9173.8000111.6I83 A129 F130 G131 T136 L137 I159 L162 V163I83-L133 HydrophobicContact CD1-CD2 3.49Å; I83-L133 VanDerWaalsContact CD1-CD2 3.49Å; A129-L133 WeakPolarHBondContact O-CG 3.43Å; A129-L133 PolarHBondContact O-N 2.76Å; F130-L133 PolarHBondContact O-N 3.29Å; G131-L133 PolarHBondContact O-N 3.37Å; L133-T136 PolarHBondContact O-N 3.04Å; L133-L137 VanDerWaalsContact O-CB 3.31Å; L133-L137 WeakPolarHBondContact O-CB 3.24Å; L133-L137 PolarHBondContact O-N 3.47Å; L133-I159 HydrophobicContact CB-CG2 4.37Å; L133-I159 HydrophobicContact CD2-CG1 4.36Å; L133-I159 HydrophobicContact CD2-CG2 4.42Å; L133-L162 HydrophobicContact CD1-CD2 4.15Å; L133-L162 HydrophobicContact CD2-CD2 4.12Å; L133-V163 HydrophobicContact CD1-CG2 4.48Å
134S95.4Very high92.3Very high8 Ų846.4 Ų46.46%0.05624%0.238CC..Hα-helixtrans-62.2-52.2179-172.70000111.8F130 G131 T136 L137 Y138 S196 L201F130-S134 VanDerWaalsContact O-CB 3.28Å; F130-S134 WeakPolarHBondContact O-CB 3.23Å; F130-S134 PolarHBondContact O-N 2.83Å; G131-S134 PolarHBondContact O-N 3.23Å; S134-T136 VanDerWaalsContact C-N 3.3Å; S134-T136 PolarHBondContact O-N 3.02Å; S134-L137 PolarHBondContact O-N 2.76Å; S134-Y138 WeakPolarHBondContact O-CB 3.25Å; S134-Y138 PolarHBondContact O-N 2.99Å; S134-S196 VanDerWaalsContact CB-O 3.25Å; S134-S196 WeakPolarHBondContact CB-O 3.33Å; S134-S196 PolarHBondContact OG-O 2.89Å; S134-L201 WeakPolarHBondContact O-CD1 3.44Å; S134-L201 WeakPolarHBondContact OG-CD1 3.4Å
135E94.2Very high92Very high109 Ų10952.3 Ų52.351%0.50926%0.261SS..Hα-helixtrans-60.2-37.9177.9-71.1176.5-148.100112.4R73 G131 E139R73-E135 IonicContact CZ-OE2 3.21Å; R73-E135 IonicContact NH1-OE2 2.86Å; R73-E135 PolarHBondContact NH1-OE2 3.49Å; R73-E135 PolarHBondContact NH2-O 3.5Å; G131-E135 WeakPolarHBondContact O-CB 3.38Å; G131-E135 WeakPolarHBondContact O-CG 3.21Å; G131-E135 PolarHBondContact O-N 3.33Å; E135-E139 WeakPolarHBondContact O-CG 3.4Å; E135-E139 PolarHBondContact O-N 2.83Å
136T92.9Very high91.9Very high11 Ų1159.1 Ų59.17%0.06729%0.287CS..Hα-helixtrans-73.3-38.8178.5-49.50000111.5R73 F79 V132 L133 S134 E139 L140 I159R73-T136 PolarHBondContact NE-OG1 3.11Å; F79-T136 HydrophobicContact CE1-CG2 3.82Å; F79-T136 HydrophobicContact CZ-CG2 4.16Å; V132-T136 WeakPolarHBondContact O-CB 3.33Å; V132-T136 PolarHBondContact O-N 3.31Å; V132-T136 PolarHBondContact O-OG1 3.33Å; L133-T136 PolarHBondContact O-N 3.04Å; S134-T136 VanDerWaalsContact C-N 3.3Å; S134-T136 PolarHBondContact O-N 3.02Å; T136-E139 PolarHBondContact O-N 2.95Å; T136-L140 HydrophobicContact CG2-CD1 4.45Å; T136-L140 VanDerWaalsContact O-CG 3.31Å; T136-L140 WeakPolarHBondContact O-CG 3.35Å; T136-L140 PolarHBondContact O-N 3.22Å; T136-I159 HydrophobicContact CG2-CD1 4.43Å
137L94.8Very high91.9Very high0 Ų063.2 Ų63.20%030%0.301CS..Hα-helixtrans-64-42.7173.5179.959.6000111.1L133 S134 L140 L141 I156 I159 L160 L198 L201 L205L133-L137 VanDerWaalsContact O-CB 3.31Å; L133-L137 WeakPolarHBondContact O-CB 3.24Å; L133-L137 PolarHBondContact O-N 3.47Å; S134-L137 PolarHBondContact O-N 2.76Å; L137-L140 PolarHBondContact O-N 3.17Å; L137-L141 HydrophobicContact CD1-CD1 3.94Å; L137-L141 HydrophobicContact CD1-CG 4.1Å; L137-L141 HydrophobicContact CG-CD1 3.86Å; L137-L141 HydrophobicContact CG-CG 4.4Å; L137-L141 WeakPolarHBondContact O-CB 3.4Å; L137-L141 VanDerWaalsContact O-CG 3.29Å; L137-L141 WeakPolarHBondContact O-CG 3.3Å; L137-L141 PolarHBondContact O-N 3.24Å; L137-I156 HydrophobicContact CD1-CB 4.37Å; L137-I156 HydrophobicContact CD1-CG1 4.08Å; L137-I156 HydrophobicContact CD1-CG2 3.9Å; L137-I159 HydrophobicContact CB-CG2 4.43Å; L137-I159 HydrophobicContact CD2-CG2 4.45Å; L137-L160 HydrophobicContact CD2-CD2 4.45Å; L137-L198 HydrophobicContact CD2-CD1 3.77Å; L137-L201 HydrophobicContact CB-CD1 4.09Å; L137-L201 HydrophobicContact CD2-CB 4.31Å; L137-L201 HydrophobicContact CD2-CD1 4Å; L137-L201 HydrophobicContact CG-CD1 4.09Å; L137-L205 HydrophobicContact CD2-CD1 4.46Å
138Y95Very high91.7Very high121 Ų12158.6 Ų58.648%0.47528%0.279SS..Hα-helixtrans-59-47.2174.5178.6-97.8000111.8S134 L140 L141 Q142 L201S134-Y138 WeakPolarHBondContact O-CB 3.25Å; S134-Y138 PolarHBondContact O-N 2.99Å; Y138-L140 VanDerWaalsContact C-N 3.28Å; Y138-L140 PolarHBondContact O-N 3.17Å; Y138-L141 PolarHBondContact O-N 3.13Å; Y138-L141 VanDerWaalsContact O-N 3.15Å; Y138-Q142 HydrophobicContact CD1-CG 4.15Å; Y138-Q142 HydrophobicContact CE1-CG 3.79Å; Y138-Q142 HydrophobicContact CE2-CG 4.45Å; Y138-Q142 WeakPolarHBondContact O-CG 3.45Å; Y138-Q142 PolarHBondContact O-N 3.23Å; Y138-Q142 PolarHBondContact OH-NE2 3.38Å; Y138-L201 HydrophobicContact CD2-CD2 3.92Å
139E93.1Very high91.7Very high111 Ų11157.7 Ų57.752%0.51928%0.277SS..Hα-helixtrans-57-38.6176-79.6172.6173.800113.2R73 E135 T136R73-E139 IonicContact CZ-OE2 2.74Å; R73-E139 IonicContact NH2-OE1 3.2Å; R73-E139 PolarHBondContact NH2-OE1 3.08Å; R73-E139 IonicContact NH2-OE2 2.72Å; R73-E139 PolarHBondContact NH2-OE2 3Å; E135-E139 WeakPolarHBondContact O-CG 3.4Å; E135-E139 PolarHBondContact O-N 2.83Å; T136-E139 PolarHBondContact O-N 2.95Å
140L91.9Very high91.6Very high9 Ų965.1 Ų65.15%0.04731%0.311CS..Hα-helixtrans-72.3-38.1176.6-64.6164.2000111.8T136 L137 Y138 L143 R148 D152 L155 I156 I159T136-L140 HydrophobicContact CG2-CD1 4.45Å; T136-L140 VanDerWaalsContact O-CG 3.31Å; T136-L140 WeakPolarHBondContact O-CG 3.35Å; T136-L140 PolarHBondContact O-N 3.22Å; L137-L140 PolarHBondContact O-N 3.17Å; Y138-L140 VanDerWaalsContact C-N 3.28Å; Y138-L140 PolarHBondContact O-N 3.17Å; L140-L143 WeakPolarHBondContact O-CB 3.36Å; L140-L143 PolarHBondContact O-N 2.96Å; L140-R148 PolarHBondContact O-NE 3.22Å; L140-R148 VanDerWaalsContact O-NE 3.09Å; L140-D152 HydrophobicContact CD2-CB 3.95Å; L140-L155 HydrophobicContact CD1-CB 4.17Å; L140-L155 HydrophobicContact CD1-CD2 3.87Å; L140-L155 HydrophobicContact CD1-CG 3.83Å; L140-I156 HydrophobicContact CB-CD1 4.09Å; L140-I156 HydrophobicContact CB-CG1 3.91Å; L140-I156 HydrophobicContact CD1-CG1 3.95Å; L140-I159 HydrophobicContact CD1-CD1 4.3Å
141L90.6Very high91.4Very high13 Ų1372.7 Ų72.77%0.06835%0.347CS..Hα-helixtrans-76.5-18179.7-66.7176.1000113.9L137 Y138 L143 R148 I156 F204 L205L137-L141 HydrophobicContact CD1-CD1 3.94Å; L137-L141 HydrophobicContact CD1-CG 4.1Å; L137-L141 HydrophobicContact CG-CD1 3.86Å; L137-L141 HydrophobicContact CG-CG 4.4Å; L137-L141 WeakPolarHBondContact O-CB 3.4Å; L137-L141 VanDerWaalsContact O-CG 3.29Å; L137-L141 WeakPolarHBondContact O-CG 3.3Å; L137-L141 PolarHBondContact O-N 3.24Å; Y138-L141 PolarHBondContact O-N 3.13Å; Y138-L141 VanDerWaalsContact O-N 3.15Å; L141-L143 PolarHBondContact O-N 3.38Å; L141-R148 PolarHBondContact O-NH2 2.94Å; L141-I156 HydrophobicContact CD2-CD1 4.07Å; L141-F204 HydrophobicContact CB-CE1 4.39Å; L141-F204 HydrophobicContact CD1-CD1 4.2Å; L141-F204 HydrophobicContact CD1-CE1 4.37Å; L141-L205 HydrophobicContact CD1-CD1 4.43Å; L141-L205 HydrophobicContact CD1-CD2 3.91Å; L141-L205 HydrophobicContact CD1-CG 4.1Å; L141-L205 HydrophobicContact CD2-CD2 3.84Å
142Q91.7Very high91.3Very high125 Ų12573.5 Ų73.558%0.58435%0.348SS*.THydrogen-bonded Turntrans-67.5-21.3168.9-72.4-61-7300113.1Y138Y138-Q142 HydrophobicContact CD1-CG 4.15Å; Y138-Q142 HydrophobicContact CE1-CG 3.79Å; Y138-Q142 HydrophobicContact CE2-CG 4.45Å; Y138-Q142 WeakPolarHBondContact O-CG 3.45Å; Y138-Q142 PolarHBondContact O-N 3.23Å; Y138-Q142 PolarHBondContact OH-NE2 3.38Å
143L89.4Confident91.2Very high70 Ų7074 Ų7437%0.36635%0.35SS..SBendtrans-77.1140.4172.5-57.6174.6000110L140 L141 R148L140-L143 WeakPolarHBondContact O-CB 3.36Å; L140-L143 PolarHBondContact O-N 2.96Å; L141-L143 PolarHBondContact O-N 3.38Å; L143-R148 HydrophobicContact CB-CG 3.73Å; L143-R148 HydrophobicContact CD1-CG 4.3Å; L143-R148 PolarHBondContact O-NE 2.99Å; L143-R148 PolarHBondContact O-NH2 3.41Å
144G86.4Confident91.1Very high31 Ų3176.4 Ų76.432%0.3236%0.363SS..  trans-60.9144.3173.200000111.4E146 E147 R148G144-E146 PolarHBondContact O-N 2.82Å; G144-E147 PolarHBondContact N-OE2 3Å; G144-E147 WeakPolarHBondContact O-CA 3.31Å; G144-E147 WeakPolarHBondContact O-CB 3.13Å; G144-E147 PolarHBondContact O-N 2.97Å; G144-R148 PolarHBondContact O-N 3.02Å
145W85.8Confident91Very high125 Ų12577.2 Ų77.247%0.47337%0.366SS..THydrogen-bonded Turntrans-54.2-37-179.3171.583.8000112.8E147 A210 Q213W145-E147 VanDerWaalsContact C-N 3.32Å; W145-E147 PolarHBondContact O-N 3.46Å; W145-A210 HydrophobicContact CB-CB 4.2Å; W145-A210 HydrophobicContact CG-CB 4.47Å; W145-Q213 VanDerWaalsContact NE1-OE1 3.09Å
146E86.1Confident91Very high175 Ų17572 Ų7282%0.81834%0.342SS*.THydrogen-bonded Turntrans-73.8-16.5175.8-56.4-177.3173.500114.2G144G144-E146 PolarHBondContact O-N 2.82Å
147E89.3Confident91.1Very high131 Ų13174.4 Ų74.461%0.61235%0.352SS*.THydrogen-bonded Turntrans-95.2-25.3-176.2-55.3-179.9134.100112.4G144 W145 Q149G144-E147 PolarHBondContact N-OE2 3Å; G144-E147 WeakPolarHBondContact O-CA 3.31Å; G144-E147 WeakPolarHBondContact O-CB 3.13Å; G144-E147 PolarHBondContact O-N 2.97Å; W145-E147 VanDerWaalsContact C-N 3.32Å; W145-E147 PolarHBondContact O-N 3.46Å; E147-Q149 PolarHBondContact O-NE2 3.1Å
148R88.1Confident91.1Very high17 Ų1776.5 Ų76.56%0.06436%0.36CS..  trans-65.7137.3179.4-68.7178.1-153.9152.68.4111.4L140 L141 L143 G144 D152 E211L140-R148 PolarHBondContact O-NE 3.22Å; L140-R148 VanDerWaalsContact O-NE 3.09Å; L141-R148 PolarHBondContact O-NH2 2.94Å; L143-R148 HydrophobicContact CB-CG 3.73Å; L143-R148 HydrophobicContact CD1-CG 4.3Å; L143-R148 PolarHBondContact O-NE 2.99Å; L143-R148 PolarHBondContact O-NH2 3.41Å; G144-R148 PolarHBondContact O-N 3.02Å; R148-D152 HydrophobicContact CB-CB 4.11Å; R148-D152 HydrophobicContact CG-CB 4.45Å; R148-E211 IonicContact CZ-OE1 2.92Å; R148-E211 VanDerWaalsContact CZ-OE1 3.23Å; R148-E211 IonicContact CZ-OE2 3.46Å; R148-E211 VanDerWaalsContact NH1-CD 3.26Å; R148-E211 IonicContact NH1-OE1 2.65Å; R148-E211 PolarHBondContact NH1-OE1 2.81Å; R148-E211 IonicContact NH1-OE2 3.7Å; R148-E211 PolarHBondContact NH1-OE2 3.2Å; R148-E211 IonicContact NH2-OE1 3.1Å; R148-E211 PolarHBondContact NH2-OE1 3.15Å
149Q91.1Very high91.2Very high122 Ų12270.7 Ų70.757%0.5734%0.337SS*.  trans-81.6168.1174.3-54.2-55-74.200111E147 E151 D152 N153E147-Q149 PolarHBondContact O-NE2 3.1Å; Q149-E151 PolarHBondContact O-N 3.36Å; Q149-D152 WeakPolarHBondContact CB-OD2 3.26Å; Q149-D152 PolarHBondContact N-OD2 3.03Å; Q149-D152 PolarHBondContact O-N 2.95Å; Q149-D152 VanDerWaalsContact O-N 3.13Å; Q149-N153 PolarHBondContact O-N 3.43Å; Q149-N153 VanDerWaalsContact O-N 3.1Å; Q149-N153 PolarHBondContact O-ND2 3.09Å; Q149-N153 VanDerWaalsContact O-ND2 3.1Å
150E90.2Very high91.3Very high156 Ų15665.5 Ų65.573%0.72931%0.313SS*.Hα-helixtrans-58.1-37.2173.3-166.3-174.715800111.2D152 N153 L154E150-D152 PolarHBondContact O-N 3.26Å; E150-N153 PolarHBondContact O-N 2.88Å; E150-L154 HydrophobicContact CG-CD1 4.04Å; E150-L154 HydrophobicContact CG-CG 4.46Å; E150-L154 VanDerWaalsContact O-CB 3.31Å; E150-L154 WeakPolarHBondContact O-CB 3.41Å; E150-L154 VanDerWaalsContact O-CG 3.23Å; E150-L154 WeakPolarHBondContact O-CG 3.38Å; E150-L154 PolarHBondContact O-N 2.91Å
151E90.8Very high91.4Very high160 Ų16066.3 Ų66.375%0.74832%0.317SS*.Hα-helixtrans-62.6-38.2175.1-61.6-167.5154.600113Q149 L155Q149-E151 PolarHBondContact O-N 3.36Å; E151-L155 WeakPolarHBondContact O-CB 3.47Å; E151-L155 PolarHBondContact O-N 3.29Å
152D91.2Very high91.7Very high31 Ų3165.8 Ų65.817%0.16631%0.314CS..Hα-helixtrans-68.7-44.8177.7-61.4-55000110.9L140 R148 Q149 E150 L155 I156L140-D152 HydrophobicContact CD2-CB 3.95Å; R148-D152 HydrophobicContact CB-CB 4.11Å; R148-D152 HydrophobicContact CG-CB 4.45Å; Q149-D152 WeakPolarHBondContact CB-OD2 3.26Å; Q149-D152 PolarHBondContact N-OD2 3.03Å; Q149-D152 PolarHBondContact O-N 2.95Å; Q149-D152 VanDerWaalsContact O-N 3.13Å; E150-D152 PolarHBondContact O-N 3.26Å; D152-L155 PolarHBondContact O-N 2.7Å; D152-I156 WeakPolarHBondContact O-CG1 3.36Å; D152-I156 PolarHBondContact O-N 3.25Å
153N91.6Very high91.9Very high29 Ų2960 Ų6016%0.15529%0.287CS..Hα-helixtrans-64-43176.7-74.1-60.5000111.7Q149 E150 L155 I156 E157 Q213 W214Q149-N153 PolarHBondContact O-N 3.43Å; Q149-N153 VanDerWaalsContact O-N 3.1Å; Q149-N153 PolarHBondContact O-ND2 3.09Å; Q149-N153 VanDerWaalsContact O-ND2 3.1Å; E150-N153 PolarHBondContact O-N 2.88Å; N153-L155 VanDerWaalsContact C-N 3.26Å; N153-L155 PolarHBondContact O-N 2.85Å; N153-I156 WeakPolarHBondContact O-CB 3.29Å; N153-I156 PolarHBondContact O-N 2.79Å; N153-E157 PolarHBondContact O-N 2.8Å; N153-Q213 PolarHBondContact OD1-NE2 2.75Å; N153-W214 HydrophobicContact CB-CH2 4.31Å; N153-W214 HydrophobicContact CB-CZ2 4.1Å; N153-W214 WeakPolarHBondContact O-CH2 3.48Å; N153-W214 WeakPolarHBondContact O-CZ2 3.2Å
154L93.4Very high92.2Very high51 Ų5158.5 Ų58.527%0.26728%0.277SS..Hα-helixtrans-63-30.7173.7-75.2168.1000112.6E150 R158E150-L154 HydrophobicContact CG-CD1 4.04Å; E150-L154 HydrophobicContact CG-CG 4.46Å; E150-L154 VanDerWaalsContact O-CB 3.31Å; E150-L154 WeakPolarHBondContact O-CB 3.41Å; E150-L154 VanDerWaalsContact O-CG 3.23Å; E150-L154 WeakPolarHBondContact O-CG 3.38Å; E150-L154 PolarHBondContact O-N 2.91Å; L154-R158 WeakPolarHBondContact O-CB 3.44Å; L154-R158 WeakPolarHBondContact O-CD 3.43Å; L154-R158 WeakPolarHBondContact O-CG 3.22Å; L154-R158 PolarHBondContact O-N 3.43Å; L154-R158 PolarHBondContact O-NE 2.96Å
155L93.8Very high92.6Very high25 Ų2557.1 Ų57.113%0.13126%0.262CS..Hα-helixtrans-74-39.4174.6-176.155.7000111.8I83 L140 E151 D152 N153 R158 I159I83-L155 HydrophobicContact CG2-CD1 4.25Å; L140-L155 HydrophobicContact CD1-CB 4.17Å; L140-L155 HydrophobicContact CD1-CD2 3.87Å; L140-L155 HydrophobicContact CD1-CG 3.83Å; E151-L155 WeakPolarHBondContact O-CB 3.47Å; E151-L155 PolarHBondContact O-N 3.29Å; D152-L155 PolarHBondContact O-N 2.7Å; N153-L155 VanDerWaalsContact C-N 3.26Å; N153-L155 PolarHBondContact O-N 2.85Å; L155-R158 PolarHBondContact O-N 3.04Å; L155-I159 HydrophobicContact CD1-CD1 4.27Å; L155-I159 HydrophobicContact CD1-CG1 4.38Å; L155-I159 HydrophobicContact CG-CD1 4.15Å; L155-I159 VanDerWaalsContact O-CG1 3.3Å; L155-I159 WeakPolarHBondContact O-CG1 3.28Å; L155-I159 PolarHBondContact O-N 3.13Å
156I94.1Very high92.9Very high0 Ų051.2 Ų51.20%024%0.24CC..Hα-helixtrans-57-51.8170.2-65.9167.9000110L137 L140 L141 D152 N153 R158 I159 L160 W214L137-I156 HydrophobicContact CD1-CB 4.37Å; L137-I156 HydrophobicContact CD1-CG1 4.08Å; L137-I156 HydrophobicContact CD1-CG2 3.9Å; L140-I156 HydrophobicContact CB-CD1 4.09Å; L140-I156 HydrophobicContact CB-CG1 3.91Å; L140-I156 HydrophobicContact CD1-CG1 3.95Å; L141-I156 HydrophobicContact CD2-CD1 4.07Å; D152-I156 WeakPolarHBondContact O-CG1 3.36Å; D152-I156 PolarHBondContact O-N 3.25Å; N153-I156 WeakPolarHBondContact O-CB 3.29Å; N153-I156 PolarHBondContact O-N 2.79Å; I156-R158 VanDerWaalsContact C-N 3.34Å; I156-R158 PolarHBondContact O-N 3.34Å; I156-I159 PolarHBondContact O-N 3.21Å; I156-L160 HydrophobicContact CG2-CD1 3.99Å; I156-L160 HydrophobicContact CG2-CG 4.44Å; I156-L160 WeakPolarHBondContact O-CG 3.47Å; I156-L160 PolarHBondContact O-N 3.03Å; I156-W214 HydrophobicContact CB-CZ2 3.99Å; I156-W214 HydrophobicContact CG2-CD2 4.1Å; I156-W214 HydrophobicContact CG2-CG 4.43Å; I156-W214 HydrophobicContact CG2-CZ2 3.86Å
157E94.5Very high93.2Very high61 Ų6142.9 Ų42.929%0.28520%0.201SC..Hα-helixtrans-53.9-49177.8-168.4-161.1146.200111.4N153 I159 L160 L161 W214N153-E157 PolarHBondContact O-N 2.8Å; E157-I159 PolarHBondContact O-N 3.34Å; E157-L160 PolarHBondContact O-N 3.06Å; E157-L161 HydrophobicContact CG-CD1 3.91Å; E157-L161 HydrophobicContact CG-CG 4.4Å; E157-L161 WeakPolarHBondContact O-CB 3.39Å; E157-L161 VanDerWaalsContact O-CG 3.31Å; E157-L161 WeakPolarHBondContact O-CG 3.46Å; E157-L161 PolarHBondContact O-N 2.93Å; E157-L161 WeakPolarHBondContact OE1-CD1 3.5Å; E157-W214 HydrophobicContact CB-CH2 3.82Å; E157-W214 HydrophobicContact CB-CZ3 3.61Å; E157-W214 HydrophobicContact CG-CZ3 3.88Å
158R95.8Very high93.3Very high43 Ų4339.3 Ų39.316%0.16218%0.184CC..Hα-helixtrans-65.1-36.5-179.3-69.3161-158.5-179.510.5112.8D80 I83 V87 L154 L155 I156 L162D80-R158 IonicContact OD1-CZ 3.03Å; D80-R158 IonicContact OD1-NH1 2.7Å; D80-R158 PolarHBondContact OD1-NH1 3.3Å; D80-R158 IonicContact OD2-NH1 3.72Å; D80-R158 PolarHBondContact OD2-NH1 2.86Å; I83-R158 HydrophobicContact CG2-CB 3.62Å; V87-R158 HydrophobicContact CG2-CB 4.2Å; V87-R158 WeakPolarHBondContact CG2-O 3.44Å; L154-R158 WeakPolarHBondContact O-CB 3.44Å; L154-R158 WeakPolarHBondContact O-CD 3.43Å; L154-R158 WeakPolarHBondContact O-CG 3.22Å; L154-R158 PolarHBondContact O-N 3.43Å; L154-R158 PolarHBondContact O-NE 2.96Å; L155-R158 PolarHBondContact O-N 3.04Å; I156-R158 VanDerWaalsContact C-N 3.34Å; I156-R158 PolarHBondContact O-N 3.34Å; R158-L162 WeakPolarHBondContact O-CB 3.49Å; R158-L162 PolarHBondContact O-N 3.15Å
159I95.8Very high93.2Very high0 Ų038.6 Ų38.60%018%0.182CC..Hα-helixtrans-65.1-47174.6-69.6166.3000109.9L133 T136 L137 L140 L155 I156 E157 L162 V163L133-I159 HydrophobicContact CB-CG2 4.37Å; L133-I159 HydrophobicContact CD2-CG1 4.36Å; L133-I159 HydrophobicContact CD2-CG2 4.42Å; T136-I159 HydrophobicContact CG2-CD1 4.43Å; L137-I159 HydrophobicContact CB-CG2 4.43Å; L137-I159 HydrophobicContact CD2-CG2 4.45Å; L140-I159 HydrophobicContact CD1-CD1 4.3Å; L155-I159 HydrophobicContact CD1-CD1 4.27Å; L155-I159 HydrophobicContact CD1-CG1 4.38Å; L155-I159 HydrophobicContact CG-CD1 4.15Å; L155-I159 VanDerWaalsContact O-CG1 3.3Å; L155-I159 WeakPolarHBondContact O-CG1 3.28Å; L155-I159 PolarHBondContact O-N 3.13Å; I156-I159 PolarHBondContact O-N 3.21Å; E157-I159 PolarHBondContact O-N 3.34Å; I159-L162 PolarHBondContact O-N 3.37Å; I159-V163 WeakPolarHBondContact O-CG2 3.49Å; I159-V163 PolarHBondContact O-N 3.21Å
160L95.8Very high92.3Very high2 Ų235.6 Ų35.61%0.0117%0.173CC..Hα-helixtrans-62.7-44.6177.1-65175.7000111.7L137 I156 E157 L162 V163 R164 L202 L205 W214 H217 I221L137-L160 HydrophobicContact CD2-CD2 4.45Å; I156-L160 HydrophobicContact CG2-CD1 3.99Å; I156-L160 HydrophobicContact CG2-CG 4.44Å; I156-L160 WeakPolarHBondContact O-CG 3.47Å; I156-L160 PolarHBondContact O-N 3.03Å; E157-L160 PolarHBondContact O-N 3.06Å; L160-L162 VanDerWaalsContact C-N 3.33Å; L160-L162 PolarHBondContact O-N 3.46Å; L160-V163 PolarHBondContact O-N 2.94Å; L160-R164 WeakPolarHBondContact O-CB 3.47Å; L160-R164 PolarHBondContact O-N 2.89Å; L160-L202 HydrophobicContact CD2-CD2 4.35Å; L160-L205 HydrophobicContact CD1-CD1 4.42Å; L160-L205 HydrophobicContact CD2-CD1 3.98Å; L160-W214 HydrophobicContact CD1-CB 3.93Å; L160-W214 HydrophobicContact CD1-CD2 4.23Å; L160-W214 HydrophobicContact CD1-CE3 4.44Å; L160-W214 HydrophobicContact CD1-CG 4.03Å; L160-H217 HydrophobicContact CB-CB 4.22Å; L160-H217 HydrophobicContact CD1-CB 4.19Å; L160-I221 HydrophobicContact CB-CD1 4.05Å; L160-I221 HydrophobicContact CD2-CD1 3.77Å
161L95Very high91.1Very high26 Ų2629.3 Ų29.314%0.13615%0.148CC..Hα-helixtrans-61.3-37.7175.3-75.2171.6000112.7V87 E157 N165V87-L161 HydrophobicContact CG1-CB 4.13Å; E157-L161 HydrophobicContact CG-CD1 3.91Å; E157-L161 HydrophobicContact CG-CG 4.4Å; E157-L161 WeakPolarHBondContact O-CB 3.39Å; E157-L161 VanDerWaalsContact O-CG 3.31Å; E157-L161 WeakPolarHBondContact O-CG 3.46Å; E157-L161 PolarHBondContact O-N 2.93Å; E157-L161 WeakPolarHBondContact OE1-CD1 3.5Å; L161-N165 VanDerWaalsContact O-CB 3.23Å; L161-N165 WeakPolarHBondContact O-CB 3.28Å; L161-N165 PolarHBondContact O-N 3.26Å; L161-N165 PolarHBondContact O-OD1 2.73Å
162L96.3Very high89.8Confident1 Ų124.7 Ų24.71%0.00513%0.128CC..Hα-helixtrans-64.1-47.7175.3-178.160.8000111.2I83 M86 V87 T90 F124 L133 R158 I159 L160 N165 I166I83-L162 HydrophobicContact CD1-CD2 3.86Å; M86-L162 HydrophobicContact CB-CD1 3.87Å; M86-L162 HydrophobicContact CE-CD2 3.93Å; V87-L162 HydrophobicContact CG2-CB 3.84Å; T90-L162 HydrophobicContact CG2-CD1 4.1Å; F124-L162 HydrophobicContact CE1-CD2 4.22Å; F124-L162 HydrophobicContact CE1-CG 4.48Å; F124-L162 HydrophobicContact CZ-CD1 3.97Å; F124-L162 HydrophobicContact CZ-CD2 4.15Å; F124-L162 HydrophobicContact CZ-CG 4.31Å; L133-L162 HydrophobicContact CD1-CD2 4.15Å; L133-L162 HydrophobicContact CD2-CD2 4.12Å; R158-L162 WeakPolarHBondContact O-CB 3.49Å; R158-L162 PolarHBondContact O-N 3.15Å; I159-L162 PolarHBondContact O-N 3.37Å; L160-L162 VanDerWaalsContact C-N 3.33Å; L160-L162 PolarHBondContact O-N 3.46Å; L162-N165 PolarHBondContact O-N 3.28Å; L162-I166 HydrophobicContact CD1-CG1 4.35Å; L162-I166 WeakPolarHBondContact O-CG1 3.35Å; L162-I166 PolarHBondContact O-N 2.89Å
163V95.7Very high88.2Confident3 Ų327 Ų272%0.01814%0.14CC..Hα-helixtrans-62.2-46.3177.7174.40000110.7F130 L133 I159 L160 N165 I166 L167 L198 I221F130-V163 HydrophobicContact CE1-CG1 4.4Å; F130-V163 HydrophobicContact CE1-CG2 4.15Å; L133-V163 HydrophobicContact CD1-CG2 4.48Å; I159-V163 WeakPolarHBondContact O-CG2 3.49Å; I159-V163 PolarHBondContact O-N 3.21Å; L160-V163 PolarHBondContact O-N 2.94Å; V163-N165 PolarHBondContact O-N 2.84Å; V163-I166 PolarHBondContact O-N 3.19Å; V163-L167 HydrophobicContact CG1-CD1 3.94Å; V163-L167 WeakPolarHBondContact O-CB 3.37Å; V163-L167 WeakPolarHBondContact O-CG 3.22Å; V163-L167 PolarHBondContact O-N 3.41Å; V163-L198 HydrophobicContact CG1-CD2 4.32Å; V163-L198 HydrophobicContact CG2-CD2 3.95Å; V163-I221 HydrophobicContact CB-CD1 4.29Å; V163-I221 HydrophobicContact CG1-CD1 4.19Å; V163-I221 HydrophobicContact CG1-CG1 4.24Å; V163-I221 HydrophobicContact CG1-CG2 3.98Å
164R94.9Very high86.5Confident39 Ų3932.6 Ų32.615%0.14717%0.17CC..Hα-helixtrans-54.6-54173.6-171.4-72.7-61.7-86.3-2.2110.7L160 I166 L167 H168 E220 I221 L224L160-R164 WeakPolarHBondContact O-CB 3.47Å; L160-R164 PolarHBondContact O-N 2.89Å; R164-I166 PolarHBondContact O-N 3.2Å; R164-L167 PolarHBondContact O-N 3.39Å; R164-H168 VanDerWaalsContact O-CB 3.29Å; R164-H168 WeakPolarHBondContact O-CB 3.24Å; R164-H168 PolarHBondContact O-N 2.89Å; R164-E220 WeakPolarHBondContact CD-OE2 3.46Å; R164-E220 HydrophobicContact CG-CB 3.81Å; R164-E220 VanDerWaalsContact CG-OE2 3.26Å; R164-E220 WeakPolarHBondContact CG-OE2 3.3Å; R164-E220 IonicContact CZ-OE2 3.41Å; R164-E220 IonicContact NE-OE2 2.67Å; R164-E220 VanDerWaalsContact NH1-CD 3.32Å; R164-E220 IonicContact NH1-OE1 2.77Å; R164-E220 PolarHBondContact NH1-OE1 3.49Å; R164-E220 IonicContact NH1-OE2 2.75Å; R164-E220 PolarHBondContact NH1-OE2 2.93Å; R164-I221 HydrophobicContact CB-CG1 3.89Å; R164-L224 HydrophobicContact CG-CD1 3.98Å
165N94.6Very high84.9Confident2 Ų235.7 Ų35.71%0.01118%0.183CC..Hα-helixtrans-57.7-48.7-178.2-75.60.3000111.8V87 T90 L161 L162 V163 L167 H168 V169V87-N165 PolarHBondContact O-ND2 2.92Å; T90-N165 WeakPolarHBondContact O-CB 3.47Å; T90-N165 WeakPolarHBondContact OG1-CB 3.43Å; T90-N165 PolarHBondContact OG1-ND2 2.92Å; T90-N165 VanDerWaalsContact OG1-ND2 3.09Å; L161-N165 VanDerWaalsContact O-CB 3.23Å; L161-N165 WeakPolarHBondContact O-CB 3.28Å; L161-N165 PolarHBondContact O-N 3.26Å; L161-N165 PolarHBondContact O-OD1 2.73Å; L162-N165 PolarHBondContact O-N 3.28Å; V163-N165 PolarHBondContact O-N 2.84Å; N165-L167 PolarHBondContact O-N 2.8Å; N165-H168 WeakPolarHBondContact O-CB 3.31Å; N165-H168 PolarHBondContact O-N 3.44Å; N165-V169 WeakPolarHBondContact O-CG2 3.41Å; N165-V169 PolarHBondContact O-N 3.29Å
166I93.3Very high83.2Confident2 Ų236 Ų361%0.0118%0.184CC..Hα-helixtrans-63.5-39.5179.6-71.1-60.7000112.1T90 K121 F124 L162 V163 R164 L189T90-I166 HydrophobicContact CG2-CD1 3.55Å; T90-I166 HydrophobicContact CG2-CG1 4.22Å; K121-I166 PolarHBondContact NZ-O 2.85Å; F124-I166 HydrophobicContact CB-CD1 4.34Å; F124-I166 HydrophobicContact CB-CG1 4.46Å; F124-I166 HydrophobicContact CB-CG2 3.87Å; F124-I166 HydrophobicContact CD1-CG1 4.34Å; F124-I166 HydrophobicContact CD2-CD1 3.28Å; F124-I166 HydrophobicContact CD2-CG1 3.77Å; F124-I166 HydrophobicContact CE2-CD1 3.62Å; F124-I166 HydrophobicContact CE2-CG1 3.99Å; F124-I166 HydrophobicContact CG-CD1 3.89Å; F124-I166 HydrophobicContact CG-CG1 3.95Å; F124-I166 HydrophobicContact CG-CG2 4.25Å; F124-I166 HydrophobicContact CZ-CD1 4.47Å; F124-I166 HydrophobicContact CZ-CG1 4.37Å; L162-I166 HydrophobicContact CD1-CG1 4.35Å; L162-I166 WeakPolarHBondContact O-CG1 3.35Å; L162-I166 PolarHBondContact O-N 2.89Å; V163-I166 PolarHBondContact O-N 3.19Å; R164-I166 PolarHBondContact O-N 3.2Å; I166-L189 HydrophobicContact CG2-CD1 3.84Å; I166-L189 HydrophobicContact CG2-CD2 3.85Å
167L92.1Very high81.6Confident0 Ų044.4 Ų44.40%022%0.221CC..Hα-helixtrans-67.5-41.3173.5-69.9169.7000111.8K121 V163 R164 N165 V169 I193 I221 L224 M225 R227K121-L167 PolarHBondContact NZ-O 3.43Å; V163-L167 HydrophobicContact CG1-CD1 3.94Å; V163-L167 WeakPolarHBondContact O-CB 3.37Å; V163-L167 WeakPolarHBondContact O-CG 3.22Å; V163-L167 PolarHBondContact O-N 3.41Å; R164-L167 PolarHBondContact O-N 3.39Å; N165-L167 PolarHBondContact O-N 2.8Å; L167-V169 VanDerWaalsContact C-N 3.33Å; L167-V169 PolarHBondContact O-N 2.86Å; L167-I193 HydrophobicContact CD1-CD1 4.21Å; L167-I193 HydrophobicContact CD2-CD1 3.97Å; L167-I193 HydrophobicContact CG-CD1 4.45Å; L167-I221 HydrophobicContact CD1-CG2 3.85Å; L167-L224 HydrophobicContact CB-CB 3.83Å; L167-L224 HydrophobicContact CB-CD1 4.38Å; L167-M225 HydrophobicContact CD1-CG 3.87Å; L167-R227 PolarHBondContact O-NH1 2.67Å
168H91.1Very high80Confident55 Ų5545.2 Ų45.226%0.25522%0.223SC..Hα-helixtrans-58.5-36.7-178.2179.9-80000113.6R164 N165 L224 R227R164-H168 VanDerWaalsContact O-CB 3.29Å; R164-H168 WeakPolarHBondContact O-CB 3.24Å; R164-H168 PolarHBondContact O-N 2.89Å; N165-H168 WeakPolarHBondContact O-CB 3.31Å; N165-H168 PolarHBondContact O-N 3.44Å; H168-L224 HydrophobicContact CB-CD1 3.84Å; H168-L224 HydrophobicContact CB-CD2 4.39Å; H168-R227 PolarHBondContact O-NH1 3.37Å
169V86Confident78.3Confident3 Ų349.1 Ų49.12%0.01825%0.246CC..SBendtrans-50.3125.4-179.2179.90000111.3L117 Q118 K121 N165 L167 R227L117-V169 HydrophobicContact CB-CG1 4.04Å; L117-V169 HydrophobicContact CB-CG2 3.96Å; Q118-V169 HydrophobicContact CG-CG1 3.78Å; K121-V169 HydrophobicContact CB-CB 4.28Å; K121-V169 HydrophobicContact CB-CG1 4.18Å; K121-V169 HydrophobicContact CD-CB 3.98Å; K121-V169 HydrophobicContact CD-CG1 4.07Å; K121-V169 WeakPolarHBondContact CE-O 3.33Å; K121-V169 HydrophobicContact CG-CB 4.34Å; K121-V169 PolarHBondContact NZ-O 2.96Å; N165-V169 WeakPolarHBondContact O-CG2 3.41Å; N165-V169 PolarHBondContact O-N 3.29Å; L167-V169 VanDerWaalsContact C-N 3.33Å; L167-V169 PolarHBondContact O-N 2.86Å; V169-R227 PolarHBondContact O-NH1 3.43Å
170P73.1Confident76.6Confident59 Ų5953.1 Ų53.138%0.38327%0.267SS..PPolyproline II helixtrans-75144.8179.531.6-35.7000111.2L114 Q118L114-P170 HydrophobicContact CD1-CG 3.89Å; Q118-P170 WeakPolarHBondContact CG-O 3.19Å; Q118-P170 PolarHBondContact NE2-O 3.44Å
171A64.6Low75.1Confident24 Ų2456.7 Ų56.720%0.19829%0.286CS..PPolyproline II helixtrans-85.3136.317700000110.9L173A171-L173 PolarHBondContact O-N 3.27Å
172D62.5Low74Confident63 Ų6359 Ų5934%0.33730%0.299SS..  trans-86.591.6-176.7-11945.1000110.7Q118 D174 Q175 E176Q118-D172 VanDerWaalsContact NE2-CG 3.34Å; Q118-D172 PolarHBondContact NE2-OD1 3.27Å; D172-D174 VanDerWaalsContact C-N 3.28Å; D172-D174 PolarHBondContact O-N 3.28Å; D172-Q175 HydrophobicContact CB-CB 4.08Å; D172-Q175 HydrophobicContact CB-CG 3.96Å; D172-Q175 WeakPolarHBondContact O-CA 3.4Å; D172-Q175 PolarHBondContact O-N 3.24Å; D172-Q175 PolarHBondContact OD2-NE2 3Å; D172-E176 PolarHBondContact O-N 3.46Å
173L59Low72.8Confident78 Ų7860.9 Ų60.941%0.40832%0.315SS..Hα-helixtrans-56.4-38.1-174.8-62.2172.7000113.4A171 Q175 K177 I330A171-L173 PolarHBondContact O-N 3.27Å; L173-Q175 PolarHBondContact O-N 3.29Å; L173-K177 PolarHBondContact O-N 3.08Å; L173-I330 HydrophobicContact CD1-CB 3.94Å; L173-I330 HydrophobicContact CD1-CD1 3.79Å; L173-I330 HydrophobicContact CD1-CG1 4.44Å; L173-I330 HydrophobicContact CD1-CG2 3.98Å
174D55.9Low72.1Confident148 Ų14861.2 Ų61.279%0.79132%0.317SS*.Hα-helixtrans-68.7-21177.2-76.2-33.8000113D172 K177D172-D174 VanDerWaalsContact C-N 3.28Å; D172-D174 PolarHBondContact O-N 3.28Å; D174-K177 WeakPolarHBondContact O-CE 3.47Å
175Q59.1Low71.6Confident115 Ų11559.8 Ų59.854%0.53731%0.313SS..Hα-helixtrans-90.7-47.1176.1-60.4-164.762.500111.8D172 L173 K177D172-Q175 HydrophobicContact CB-CB 4.08Å; D172-Q175 HydrophobicContact CB-CG 3.96Å; D172-Q175 WeakPolarHBondContact O-CA 3.4Å; D172-Q175 PolarHBondContact O-N 3.24Å; D172-Q175 PolarHBondContact OD2-NE2 3Å; L173-Q175 PolarHBondContact O-N 3.29Å; Q175-K177 PolarHBondContact O-N 2.99Å
176E58.8Low71.3Confident33 Ų3359.8 Ų59.815%0.15431%0.312CS..Hα-helixtrans-55.9-46.6-177.7-86.4-153.1-154.500112.3D172 K178 S184 V185 R332D172-E176 PolarHBondContact O-N 3.46Å; E176-K178 HydrophobicContact CB-CG 4.47Å; E176-K178 PolarHBondContact O-N 2.91Å; E176-K178 WeakPolarHBondContact OE2-CD 3.32Å; E176-K178 IonicContact OE2-NZ 3.38Å; E176-K178 PolarHBondContact OE2-NZ 3.44Å; E176-S184 PolarHBondContact OE1-OG 3.43Å; E176-S184 WeakPolarHBondContact OE2-CA 3.44Å; E176-V185 PolarHBondContact OE1-N 3.18Å; E176-V185 VanDerWaalsContact OE1-N 3.13Å; E176-R332 IonicContact OE1-NH1 2.66Å; E176-R332 IonicContact OE2-CZ 2.67Å; E176-R332 IonicContact OE2-NH1 3.79Å; E176-R332 PolarHBondContact OE2-NH1 3.2Å; E176-R332 IonicContact OE2-NH2 3.8Å
177K59.3Low71Confident176 Ų17659.9 Ų59.977%0.76531%0.313SS*.  trans53.211.1-178.4-62.6169.5-172.9148.50116.1L173 D174 Q175L173-K177 PolarHBondContact O-N 3.08Å; D174-K177 WeakPolarHBondContact O-CE 3.47Å; Q175-K177 PolarHBondContact O-N 2.99Å
178K60.5Low70.9Confident78 Ų7864.1 Ų64.134%0.33933%0.333SS..PPolyproline II helixtrans-71160.3172.7-62.2-177.4-162.6154.60110.6E176 D182 A183E176-K178 HydrophobicContact CB-CG 4.47Å; E176-K178 PolarHBondContact O-N 2.91Å; E176-K178 WeakPolarHBondContact OE2-CD 3.32Å; E176-K178 IonicContact OE2-NZ 3.38Å; E176-K178 PolarHBondContact OE2-NZ 3.44Å; K178-D182 HydrophobicContact CB-CB 3.88Å; K178-D182 HydrophobicContact CD-CB 4.29Å; K178-D182 HydrophobicContact CG-CB 4.48Å; K178-A183 WeakPolarHBondContact CD-O 3.34Å; K178-A183 PolarHBondContact NZ-O 3.34Å
179I61.8Low70.9Confident125 Ų12561.5 Ų61.564%0.64132%0.321SS*.PPolyproline II helixtrans-90.3169.1-179.1-58.1174.9000109.1D182 R332I179-D182 PolarHBondContact N-OD2 3.13Å; I179-D182 WeakPolarHBondContact O-CB 3.36Å; I179-D182 PolarHBondContact O-N 3.48Å; I179-R332 PolarHBondContact O-NE 2.99Å; I179-R332 PolarHBondContact O-NH2 3.31Å
180D60Low71.2Confident84 Ų8461.3 Ų61.345%0.44932%0.32SS..THydrogen-bonded Turntrans-54149.5161.4-74.8-66.5000111.3D182 R332 R333D180-D182 PolarHBondContact O-N 3.33Å; D180-D182 VanDerWaalsContact O-N 3.14Å; D180-R332 WeakPolarHBondContact OD1-CA 3.34Å; D180-R332 VanDerWaalsContact OD1-CG 3.3Å; D180-R332 WeakPolarHBondContact OD1-CG 3.42Å; D180-R333 HydrophobicContact CB-CB 4.25Å; D180-R333 PolarHBondContact OD1-N 3.3Å
181D63.4Low72.2Confident76 Ų7662.8 Ų62.841%0.40632%0.318SS..THydrogen-bonded Turntrans65.3-10-172.1-65.6-51.6000116.8R333 R339D181-R333 WeakPolarHBondContact CA-O 3.31Å; D181-R333 PolarHBondContact N-O 3.26Å; D181-R339 IonicContact OD1-CZ 2.86Å; D181-R339 IonicContact OD1-NH2 3.07Å; D181-R339 PolarHBondContact OD1-NH2 3.49Å
182D71.8Confident73.5Confident76 Ų7661.9 Ų61.941%0.40631%0.31SS..SBendtrans-72.4139.2165.4-76.5-38.6000111.1K178 I179 D180 S184 R332K178-D182 HydrophobicContact CB-CB 3.88Å; K178-D182 HydrophobicContact CD-CB 4.29Å; K178-D182 HydrophobicContact CG-CB 4.48Å; I179-D182 PolarHBondContact N-OD2 3.13Å; I179-D182 WeakPolarHBondContact O-CB 3.36Å; I179-D182 PolarHBondContact O-N 3.48Å; D180-D182 PolarHBondContact O-N 3.33Å; D180-D182 VanDerWaalsContact O-N 3.14Å; D182-S184 PolarHBondContact O-N 2.96Å; D182-S184 VanDerWaalsContact O-N 3.13Å; D182-R332 PolarHBondContact O-NH2 3Å
183A70.4Confident75.1Confident40 Ų4058.9 Ų58.933%0.33129%0.294SS..  trans-62.2115.3178.100000113K178 D187 Q188 A335K178-A183 WeakPolarHBondContact CD-O 3.34Å; K178-A183 PolarHBondContact NZ-O 3.34Å; A183-D187 HydrophobicContact CB-CB 4.23Å; A183-Q188 HydrophobicContact CB-CG 4.41Å; A183-A335 HydrophobicContact CB-CB 4.49Å
184S81.4Confident76.8Confident10 Ų1058.7 Ų58.77%0.0729%0.291CS..  trans-66.6164.7167.2-179.20000111.8E176 D182 H186 D187 Q188E176-S184 PolarHBondContact OE1-OG 3.43Å; E176-S184 WeakPolarHBondContact OE2-CA 3.44Å; D182-S184 PolarHBondContact O-N 2.96Å; D182-S184 VanDerWaalsContact O-N 3.13Å; S184-H186 PolarHBondContact O-N 3.04Å; S184-H186 PolarHBondContact OG-N 3.48Å; S184-D187 PolarHBondContact O-N 2.93Å; S184-Q188 WeakPolarHBondContact O-CG 3.22Å; S184-Q188 PolarHBondContact O-N 3.26Å
185V84.8Confident78.5Confident9 Ų955.5 Ų55.56%0.05527%0.274CS..Hα-helixtrans-55.4-34.2163.9-178.30000110.9K121 E122 E176 Q188 L189K121-V185 HydrophobicContact CD-CG1 4.15Å; K121-V185 HydrophobicContact CG-CG1 4.05Å; E122-V185 HydrophobicContact CB-CG1 4.4Å; E122-V185 HydrophobicContact CG-CB 4.37Å; E122-V185 HydrophobicContact CG-CG1 3.69Å; E122-V185 HydrophobicContact CG-CG2 3.71Å; E176-V185 PolarHBondContact OE1-N 3.18Å; E176-V185 VanDerWaalsContact OE1-N 3.13Å; V185-Q188 PolarHBondContact O-N 3.32Å; V185-L189 PolarHBondContact O-N 2.73Å; V185-L189 VanDerWaalsContact O-N 3.15Å
186H87.9Confident80.2Confident1 Ų150.9 Ų50.91%0.00525%0.254CS..Hα-helixtrans-68.5-45.1175.8-17134.1000112.4S184 Q188 L189 L190 L224 D228S184-H186 PolarHBondContact O-N 3.04Å; S184-H186 PolarHBondContact OG-N 3.48Å; H186-Q188 PolarHBondContact O-N 3.36Å; H186-L189 WeakPolarHBondContact O-CB 3.34Å; H186-L189 PolarHBondContact O-N 2.95Å; H186-L190 WeakPolarHBondContact O-CG 3.41Å; H186-L190 PolarHBondContact O-N 2.99Å; H186-L224 PolarHBondContact CE1-O 3.28Å; H186-L224 VanDerWaalsContact CE1-O 3.24Å; H186-L224 PolarHBondContact NE2-O 3.06Å; H186-D228 IonicContact CD2-OD2 2.78Å; H186-D228 PolarHBondContact CD2-OD2 2.86Å; H186-D228 IonicContact NE2-OD2 2.63Å
187D88.1Confident81.8Confident4 Ų450.3 Ų50.32%0.02126%0.257CS..Hα-helixtrans-57.3-37.9174-70.812.3000112A183 S184 L190 W191 S334 A335 V338A183-D187 HydrophobicContact CB-CB 4.23Å; S184-D187 PolarHBondContact O-N 2.93Å; D187-L190 PolarHBondContact O-N 3.37Å; D187-W191 WeakPolarHBondContact O-CB 3.44Å; D187-W191 PolarHBondContact O-N 2.86Å; D187-S334 VanDerWaalsContact OD1-CB 3.24Å; D187-S334 WeakPolarHBondContact OD1-CB 3.29Å; D187-S334 PolarHBondContact OD1-OG 3.15Å; D187-S334 VanDerWaalsContact OD2-CA 3.29Å; D187-S334 WeakPolarHBondContact OD2-CA 3.43Å; D187-S334 VanDerWaalsContact OD2-CB 3.31Å; D187-S334 WeakPolarHBondContact OD2-CB 3.38Å; D187-A335 PolarHBondContact OD2-N 2.85Å; D187-V338 HydrophobicContact CB-CG2 4.13Å
188Q89.3Confident83.5Confident89 Ų8942 Ų4242%0.41622%0.221SC..Hα-helixtrans-67.5-40.1177.4-69.8171.7-21.900112.3A125 A183 S184 V185 H186 W191 A192A125-Q188 HydrophobicContact CB-CB 4Å; A183-Q188 HydrophobicContact CB-CG 4.41Å; S184-Q188 WeakPolarHBondContact O-CG 3.22Å; S184-Q188 PolarHBondContact O-N 3.26Å; V185-Q188 PolarHBondContact O-N 3.32Å; H186-Q188 PolarHBondContact O-N 3.36Å; Q188-W191 PolarHBondContact O-N 3.05Å; Q188-A192 WeakPolarHBondContact O-CB 3.29Å; Q188-A192 PolarHBondContact O-N 3.35Å
189L91.8Very high85.1Confident0 Ų038.7 Ų38.70%021%0.207CC..Hα-helixtrans-63.5-43.4172-72.7170000112.1K121 F124 A125 F130 I166 V185 H186 W191 A192 I193K121-L189 HydrophobicContact CD-CD1 4.24Å; K121-L189 HydrophobicContact CG-CD1 3.54Å; F124-L189 HydrophobicContact CB-CD2 3.96Å; F124-L189 WeakPolarHBondContact O-CD2 3.36Å; A125-L189 HydrophobicContact CB-CD2 4.37Å; F130-L189 HydrophobicContact CE2-CD2 3.63Å; F130-L189 HydrophobicContact CZ-CD2 4.12Å; I166-L189 HydrophobicContact CG2-CD1 3.84Å; I166-L189 HydrophobicContact CG2-CD2 3.85Å; V185-L189 PolarHBondContact O-N 2.73Å; V185-L189 VanDerWaalsContact O-N 3.15Å; H186-L189 WeakPolarHBondContact O-CB 3.34Å; H186-L189 PolarHBondContact O-N 2.95Å; L189-W191 VanDerWaalsContact C-N 3.29Å; L189-W191 PolarHBondContact O-N 3.15Å; L189-A192 PolarHBondContact O-N 2.66Å; L189-A192 VanDerWaalsContact O-N 3.16Å; L189-I193 WeakPolarHBondContact O-CG1 3.45Å; L189-I193 PolarHBondContact O-N 3.36Å
190L92.2Very high86.6Confident0 Ų037.6 Ų37.60%020%0.202CC..Hα-helixtrans-61.6-39.3177.5-68.5172.7000111.6H186 D187 H194 M225 V338 F341 L342H186-L190 WeakPolarHBondContact O-CG 3.41Å; H186-L190 PolarHBondContact O-N 2.99Å; D187-L190 PolarHBondContact O-N 3.37Å; L190-H194 PolarHBondContact O-N 2.94Å; L190-H194 VanDerWaalsContact O-N 3.17Å; L190-M225 HydrophobicContact CD2-CB 3.68Å; L190-M225 HydrophobicContact CD2-CE 4.45Å; L190-M225 HydrophobicContact CD2-CG 3.71Å; L190-V338 HydrophobicContact CB-CG1 3.92Å; L190-V338 HydrophobicContact CD1-CG1 3.9Å; L190-F341 HydrophobicContact CB-CE1 4.26Å; L190-L342 HydrophobicContact CD1-CD1 4.14Å; L190-L342 HydrophobicContact CD2-CD2 4.43Å
191W93.1Very high88.3Confident90 Ų9034.4 Ų34.434%0.34119%0.185SC..Hα-helixtrans-68.7-36173.9-163.5-106.5000112.9D187 Q188 L189 H194 L195 N337 V338 F341D187-W191 WeakPolarHBondContact O-CB 3.44Å; D187-W191 PolarHBondContact O-N 2.86Å; Q188-W191 PolarHBondContact O-N 3.05Å; L189-W191 VanDerWaalsContact C-N 3.29Å; L189-W191 PolarHBondContact O-N 3.15Å; W191-H194 AromaticContact CZ3-CD2 3.88Å; W191-H194 PolarHBondContact O-N 3.31Å; W191-L195 WeakPolarHBondContact O-CG 3.31Å; W191-L195 PolarHBondContact O-N 3.44Å; W191-N337 HydrophobicContact CH2-CB 4.32Å; W191-N337 HydrophobicContact CZ3-CB 4.09Å; W191-N337 WeakPolarHBondContact CZ3-ND2 3.37Å; W191-V338 HydrophobicContact CB-CG2 4.4Å; W191-V338 HydrophobicContact CE3-CG2 4.21Å; W191-F341 HydrophobicContact CZ3-CB 4.46Å
192A93.4Very high89.8Confident5 Ų530.9 Ų30.94%0.04117%0.166CC..Hα-helixtrans-67.4-39.2174.800000112.7F130 Q188 L189 L195 S196F130-A192 HydrophobicContact CD2-CB 3.98Å; F130-A192 HydrophobicContact CG-CB 4.43Å; Q188-A192 WeakPolarHBondContact O-CB 3.29Å; Q188-A192 PolarHBondContact O-N 3.35Å; L189-A192 PolarHBondContact O-N 2.66Å; L189-A192 VanDerWaalsContact O-N 3.16Å; A192-L195 PolarHBondContact O-N 2.74Å; A192-S196 WeakPolarHBondContact O-CB 3.3Å; A192-S196 PolarHBondContact O-N 2.77Å; A192-S196 PolarHBondContact O-OG 2.85Å
193I94.4Very high90.9Very high0 Ų027.7 Ų27.70%015%0.149CC..Hα-helixtrans-57.6-50172.6-72.1167.3000109.8F130 L167 L189 S196 G197 L198 D199 M225F130-I193 HydrophobicContact CD1-CG1 3.69Å; F130-I193 HydrophobicContact CE1-CD1 4.06Å; F130-I193 HydrophobicContact CE1-CG1 3.5Å; F130-I193 VanDerWaalsContact CE1-CG1 3.5Å; F130-I193 HydrophobicContact CG-CG1 4.4Å; F130-I193 HydrophobicContact CZ-CD1 4.41Å; F130-I193 HydrophobicContact CZ-CG1 4.07Å; L167-I193 HydrophobicContact CD1-CD1 4.21Å; L167-I193 HydrophobicContact CD2-CD1 3.97Å; L167-I193 HydrophobicContact CG-CD1 4.45Å; L189-I193 WeakPolarHBondContact O-CG1 3.45Å; L189-I193 PolarHBondContact O-N 3.36Å; I193-S196 PolarHBondContact O-N 3.4Å; I193-S196 PolarHBondContact O-OG 2.91Å; I193-G197 PolarHBondContact O-N 3.07Å; I193-L198 HydrophobicContact CG1-CD2 4.42Å; I193-L198 HydrophobicContact CG2-CB 4.18Å; I193-L198 PolarHBondContact O-N 3.17Å; I193-D199 HydrophobicContact CG2-CB 4.28Å; I193-M225 HydrophobicContact CG2-CE 4.42Å
194H94.4Very high92.1Very high73 Ų7330.3 Ų30.334%0.33815%0.153SC..Hα-helixtrans-62.5-45.5178.8-177.248.6000113.6L190 W191 S196 G197 D199 F341L190-H194 PolarHBondContact O-N 2.94Å; L190-H194 VanDerWaalsContact O-N 3.17Å; W191-H194 AromaticContact CZ3-CD2 3.88Å; W191-H194 PolarHBondContact O-N 3.31Å; H194-S196 PolarHBondContact O-N 3.31Å; H194-G197 PolarHBondContact O-N 3.03Å; H194-D199 IonicContact CE1-OD2 3.75Å; H194-D199 IonicContact CG-OD2 3.13Å; H194-D199 IonicContact ND1-OD2 3.51Å; H194-D199 PolarHBondContact ND1-OD2 3.18Å; H194-F341 HydrophobicContact CB-CD1 4.36Å; H194-F341 HydrophobicContact CB-CD2 3.88Å; H194-F341 HydrophobicContact CB-CE1 4.27Å; H194-F341 HydrophobicContact CB-CE2 3.81Å; H194-F341 HydrophobicContact CB-CG 4.17Å; H194-F341 HydrophobicContact CB-CZ 4Å; H194-F341 AromaticContact CE1-CD2 3.96Å; H194-F341 AromaticContact CG-CD2 3.55Å; H194-F341 AromaticContact CG-CE2 3.87Å; H194-F341 AromaticContact CG-CG 3.99Å; H194-F341 AromaticContact ND1-CD2 3.45Å; H194-F341 WeakPolarHBondContact ND1-CD2 3.35Å; H194-F341 AromaticContact ND1-CE2 3.7Å
195L92.5Very high92.6Very high82 Ų8230.2 Ų30.243%0.42915%0.152SC..Hα-helixtrans-65.3-24.1177.1-70-178.7000113.3E127 W191 A192E127-L195 HydrophobicContact CG-CB 4Å; E127-L195 HydrophobicContact CG-CD1 4.34Å; W191-L195 WeakPolarHBondContact O-CG 3.31Å; W191-L195 PolarHBondContact O-N 3.44Å; A192-L195 PolarHBondContact O-N 2.74Å
196S94.4Very high93.1Very high18 Ų1829.9 Ų29.913%0.12615%0.15CC..THydrogen-bonded Turntrans-85.2-6.5175.868.90000115.4F130 S134 A192 I193 H194 L198F130-S196 VanDerWaalsContact C-CB 3.49Å; S134-S196 VanDerWaalsContact CB-O 3.25Å; S134-S196 WeakPolarHBondContact CB-O 3.33Å; S134-S196 PolarHBondContact OG-O 2.89Å; A192-S196 WeakPolarHBondContact O-CB 3.3Å; A192-S196 PolarHBondContact O-N 2.77Å; A192-S196 PolarHBondContact O-OG 2.85Å; I193-S196 PolarHBondContact O-N 3.4Å; I193-S196 PolarHBondContact O-OG 2.91Å; H194-S196 PolarHBondContact O-N 3.31Å; S196-L198 PolarHBondContact O-N 3.1Å; S196-L198 WeakPolarHBondContact OG-CB 3.29Å; S196-L198 PolarHBondContact OG-N 2.97Å
197G93.2Very high93.3Very high21 Ų2131.7 Ų31.722%0.21616%0.163CC..THydrogen-bonded Turntrans63.819.3-172.100000114.1I193 H194 D199 D200 L201I193-G197 PolarHBondContact O-N 3.07Å; H194-G197 PolarHBondContact O-N 3.03Å; G197-D199 VanDerWaalsContact C-N 3.3Å; G197-D199 VanDerWaalsContact CA-OD1 3.24Å; G197-D199 WeakPolarHBondContact CA-OD1 3.08Å; G197-D200 PolarHBondContact O-N 3.25Å; G197-L201 PolarHBondContact O-N 2.96Å
198L94.7Very high93.5Very high2 Ų232.7 Ų32.71%0.0117%0.17CC..Hα-helixtrans-74.6-25.7179177.463000111.6F130 L137 V163 I193 S196 L201 L202F130-L198 HydrophobicContact CD1-CD2 3.66Å; F130-L198 HydrophobicContact CE1-CD2 3.97Å; L137-L198 HydrophobicContact CD2-CD1 3.77Å; V163-L198 HydrophobicContact CG1-CD2 4.32Å; V163-L198 HydrophobicContact CG2-CD2 3.95Å; I193-L198 HydrophobicContact CG1-CD2 4.42Å; I193-L198 HydrophobicContact CG2-CB 4.18Å; I193-L198 PolarHBondContact O-N 3.17Å; S196-L198 PolarHBondContact O-N 3.1Å; S196-L198 WeakPolarHBondContact OG-CB 3.29Å; S196-L198 PolarHBondContact OG-N 2.97Å; L198-L201 HydrophobicContact CD1-CB 4.34Å; L198-L201 HydrophobicContact CD1-CD1 4.13Å; L198-L201 PolarHBondContact O-N 2.93Å; L198-L202 HydrophobicContact CG-CD1 4.49Å; L198-L202 VanDerWaalsContact O-CG 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.29Å; L198-L202 PolarHBondContact O-N 2.84Å
199D93.9Very high93.3Very high8 Ų831.8 Ų31.84%0.04317%0.174CC..Hα-helixtrans-56.2-47.6165.946.9-20000112.4I193 H194 G197 L201 L202 L203 F341 F345I193-D199 HydrophobicContact CG2-CB 4.28Å; H194-D199 IonicContact CE1-OD2 3.75Å; H194-D199 IonicContact CG-OD2 3.13Å; H194-D199 IonicContact ND1-OD2 3.51Å; H194-D199 PolarHBondContact ND1-OD2 3.18Å; G197-D199 VanDerWaalsContact C-N 3.3Å; G197-D199 VanDerWaalsContact CA-OD1 3.24Å; G197-D199 WeakPolarHBondContact CA-OD1 3.08Å; D199-L201 VanDerWaalsContact C-N 3.28Å; D199-L201 PolarHBondContact O-N 3.43Å; D199-L202 PolarHBondContact O-N 2.9Å; D199-L202 VanDerWaalsContact O-N 3.13Å; D199-L203 WeakPolarHBondContact O-CG 3.31Å; D199-L203 PolarHBondContact O-N 3.31Å; D199-F341 HydrophobicContact CB-CE2 4.1Å; D199-F341 HydrophobicContact CB-CZ 4.38Å; D199-F341 WeakPolarHBondContact OD2-CE2 3.47Å; D199-F345 HydrophobicContact CB-CD2 3.77Å; D199-F345 HydrophobicContact CB-CE2 3.77Å
200D94.6Very high93Very high102 Ų10234 Ų3455%0.54519%0.192SC..Hα-helixtrans-59.2-39.9175.4-68.7-20.5000111.7G197 L203 F204G197-D200 PolarHBondContact O-N 3.25Å; D200-L203 PolarHBondContact O-N 3.12Å; D200-F204 PolarHBondContact O-N 3.4Å
201L94.9Very high92.8Very high17 Ų1734.2 Ų34.29%0.08919%0.193CC..Hα-helixtrans-67.4-36176.5-57.2-178.8000112.4S134 L137 Y138 G197 L198 D199 F204 L205S134-L201 WeakPolarHBondContact O-CD1 3.44Å; S134-L201 WeakPolarHBondContact OG-CD1 3.4Å; L137-L201 HydrophobicContact CB-CD1 4.09Å; L137-L201 HydrophobicContact CD2-CB 4.31Å; L137-L201 HydrophobicContact CD2-CD1 4Å; L137-L201 HydrophobicContact CG-CD1 4.09Å; Y138-L201 HydrophobicContact CD2-CD2 3.92Å; G197-L201 PolarHBondContact O-N 2.96Å; L198-L201 HydrophobicContact CD1-CB 4.34Å; L198-L201 HydrophobicContact CD1-CD1 4.13Å; L198-L201 PolarHBondContact O-N 2.93Å; D199-L201 VanDerWaalsContact C-N 3.28Å; D199-L201 PolarHBondContact O-N 3.43Å; L201-F204 PolarHBondContact O-N 3.23Å; L201-L205 WeakPolarHBondContact O-CB 3.16Å; L201-L205 VanDerWaalsContact O-CG 3.28Å; L201-L205 WeakPolarHBondContact O-CG 3.44Å; L201-L205 PolarHBondContact O-N 2.75Å
202L95.2Very high92.4Very high1 Ų134 Ų341%0.00520%0.195CC..Hα-helixtrans-68.2-37.3175.1-70.4164.7000111.7L160 L198 D199 A206 V218 I221 M225L160-L202 HydrophobicContact CD2-CD2 4.35Å; L198-L202 HydrophobicContact CG-CD1 4.49Å; L198-L202 VanDerWaalsContact O-CG 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.29Å; L198-L202 PolarHBondContact O-N 2.84Å; D199-L202 PolarHBondContact O-N 2.9Å; D199-L202 VanDerWaalsContact O-N 3.13Å; L202-A206 VanDerWaalsContact O-CB 3.3Å; L202-A206 WeakPolarHBondContact O-CB 3.3Å; L202-A206 PolarHBondContact O-N 3.02Å; L202-V218 HydrophobicContact CD2-CG1 4.25Å; L202-V218 HydrophobicContact CD2-CG2 4.34Å; L202-I221 HydrophobicContact CD1-CG2 3.65Å; L202-I221 HydrophobicContact CD2-CB 4.37Å; L202-I221 HydrophobicContact CD2-CD1 4.07Å; L202-I221 HydrophobicContact CD2-CG2 3.87Å; L202-I221 HydrophobicContact CG-CG2 4.45Å; L202-M225 HydrophobicContact CD1-SD 4.02Å
203L94.6Very high92.1Very high10 Ų1037.3 Ų37.35%0.05221%0.21CC..Hα-helixtrans-65.6-41.6172.7-67.7169.2000111.5D199 D200 A206 S207 F345 E348 F349 C353D199-L203 WeakPolarHBondContact O-CG 3.31Å; D199-L203 PolarHBondContact O-N 3.31Å; D200-L203 PolarHBondContact O-N 3.12Å; L203-A206 PolarHBondContact O-N 3.04Å; L203-S207 WeakPolarHBondContact O-CB 3.47Å; L203-S207 PolarHBondContact O-N 3.2Å; L203-S207 PolarHBondContact O-OG 2.83Å; L203-F345 HydrophobicContact CD1-CD2 4.01Å; L203-F345 HydrophobicContact CD1-CE2 4.03Å; L203-F345 HydrophobicContact CD2-CD2 4.26Å; L203-F345 HydrophobicContact CD2-CE1 4.36Å; L203-F345 HydrophobicContact CD2-CE2 3.87Å; L203-F345 HydrophobicContact CD2-CZ 3.93Å; L203-F345 HydrophobicContact CG-CD2 4.12Å; L203-F345 HydrophobicContact CG-CE2 3.64Å; L203-F345 HydrophobicContact CG-CZ 4.13Å; L203-E348 HydrophobicContact CD1-CB 4.44Å; L203-E348 HydrophobicContact CD1-CG 4.1Å; L203-F349 HydrophobicContact CD2-CB 3.82Å; L203-F349 HydrophobicContact CD2-CD2 4.19Å; L203-C353 PolarHBondContact O-SG 3.04Å
204F94.4Very high92Very high95 Ų9538.1 Ų38.142%0.41721%0.213SC..Hα-helixtrans-61.3-49.8172.9173.4-101.4000112.1L141 D200 L201 A206 S207 S208L141-F204 HydrophobicContact CB-CE1 4.39Å; L141-F204 HydrophobicContact CD1-CD1 4.2Å; L141-F204 HydrophobicContact CD1-CE1 4.37Å; D200-F204 PolarHBondContact O-N 3.4Å; L201-F204 PolarHBondContact O-N 3.23Å; F204-A206 VanDerWaalsContact C-N 3.31Å; F204-A206 PolarHBondContact O-N 2.82Å; F204-S207 PolarHBondContact O-N 3.44Å; F204-S207 PolarHBondContact O-OG 3.1Å; F204-S208 WeakPolarHBondContact O-CB 3.49Å; F204-S208 PolarHBondContact O-N 3.4Å
205L93.8Very high91.9Very high7 Ų734.9 Ų34.94%0.03720%0.199CC..Hα-helixtrans-59.7-40.3177.7-73.3169.6000112.1L137 L141 L160 L201 E211 V218L137-L205 HydrophobicContact CD2-CD1 4.46Å; L141-L205 HydrophobicContact CD1-CD1 4.43Å; L141-L205 HydrophobicContact CD1-CD2 3.91Å; L141-L205 HydrophobicContact CD1-CG 4.1Å; L141-L205 HydrophobicContact CD2-CD2 3.84Å; L160-L205 HydrophobicContact CD1-CD1 4.42Å; L160-L205 HydrophobicContact CD2-CD1 3.98Å; L201-L205 WeakPolarHBondContact O-CB 3.16Å; L201-L205 VanDerWaalsContact O-CG 3.28Å; L201-L205 WeakPolarHBondContact O-CG 3.44Å; L201-L205 PolarHBondContact O-N 2.75Å; L205-E211 HydrophobicContact CD2-CB 3.92Å; L205-E211 HydrophobicContact CD2-CG 3.91Å; L205-V218 HydrophobicContact CB-CG2 3.83Å; L205-V218 HydrophobicContact CD1-CG2 4.07Å
206A93.6Very high91.8Very high2 Ų232.4 Ų32.42%0.01719%0.186CC..Hα-helixtrans-74.7-21.3178.800000114.5L202 L203 F204 V218 F349 C353 L357L202-A206 VanDerWaalsContact O-CB 3.3Å; L202-A206 WeakPolarHBondContact O-CB 3.3Å; L202-A206 PolarHBondContact O-N 3.02Å; L203-A206 PolarHBondContact O-N 3.04Å; F204-A206 VanDerWaalsContact C-N 3.31Å; F204-A206 PolarHBondContact O-N 2.82Å; A206-V218 HydrophobicContact CB-CG1 3.98Å; A206-F349 HydrophobicContact CB-CE2 4.18Å; A206-C353 HydrophobicContact CB-CB 3.72Å; A206-L357 HydrophobicContact CB-CB 4.42Å; A206-L357 HydrophobicContact CB-CD1 4.16Å; A206-L357 HydrophobicContact CB-CD2 4.18Å
207S92.9Very high91.8Very high39 Ų3933.4 Ų33.427%0.27319%0.189SC..Hα-helixtrans-98.5-19.9178.357.40000113.6L203 F204 R356L203-S207 WeakPolarHBondContact O-CB 3.47Å; L203-S207 PolarHBondContact O-N 3.2Å; L203-S207 PolarHBondContact O-OG 2.83Å; F204-S207 PolarHBondContact O-N 3.44Å; F204-S207 PolarHBondContact O-OG 3.1Å; S207-R356 WeakPolarHBondContact O-CD 3.47Å; S207-R356 PolarHBondContact O-NH1 2.99Å
208S91.9Very high91.9Very high25 Ų2532.5 Ų32.518%0.17518%0.179CC..  trans-69.8145.2175.3-1760000112.5F204 A210F204-S208 WeakPolarHBondContact O-CB 3.49Å; F204-S208 PolarHBondContact O-N 3.4Å; S208-A210 PolarHBondContact OG-N 2.93Å
209S85Confident91.9Very high71 Ų7132.6 Ų32.650%0.49718%0.179SC..SBendtrans-94.6-13.3171.148.70000113.5Q212S209-Q212 WeakPolarHBondContact O-CG 3.45Å
210A85.9Confident91.9Very high45 Ų4533.5 Ų33.537%0.37218%0.183SC..SBendtrans-81.8-26.1174.400000112.2W145 S208 Q212W145-A210 HydrophobicContact CB-CB 4.2Å; W145-A210 HydrophobicContact CG-CB 4.47Å; S208-A210 PolarHBondContact OG-N 2.93Å; A210-Q212 VanDerWaalsContact C-N 3.33Å; A210-Q212 PolarHBondContact O-N 3.22Å
211E87.1Confident92Very high5 Ų528.7 Ų28.72%0.02316%0.157CC..  trans-93.919.1-172.1-54.7-62.7162.900113.1R148 L205 Q213 W214R148-E211 IonicContact CZ-OE1 2.92Å; R148-E211 VanDerWaalsContact CZ-OE1 3.23Å; R148-E211 IonicContact CZ-OE2 3.46Å; R148-E211 VanDerWaalsContact NH1-CD 3.26Å; R148-E211 IonicContact NH1-OE1 2.65Å; R148-E211 PolarHBondContact NH1-OE1 2.81Å; R148-E211 IonicContact NH1-OE2 3.7Å; R148-E211 PolarHBondContact NH1-OE2 3.2Å; R148-E211 IonicContact NH2-OE1 3.1Å; R148-E211 PolarHBondContact NH2-OE1 3.15Å; L205-E211 HydrophobicContact CD2-CB 3.92Å; L205-E211 HydrophobicContact CD2-CG 3.91Å; E211-Q213 PolarHBondContact O-N 2.67Å; E211-Q213 VanDerWaalsContact O-N 3.12Å; E211-W214 PolarHBondContact O-N 3.04Å; E211-W214 VanDerWaalsContact OE2-CD1 3.31Å; E211-W214 PolarHBondContact OE2-NE1 3.15Å
212Q85.4Confident92Very high85 Ų8527.9 Ų27.940%0.39715%0.153SC..G310 helixtrans-58.5-29.2-173-75.3-179.91.400113.9S209 A210 W214 S215 H364S209-Q212 WeakPolarHBondContact O-CG 3.45Å; A210-Q212 VanDerWaalsContact C-N 3.33Å; A210-Q212 PolarHBondContact O-N 3.22Å; Q212-W214 PolarHBondContact O-N 3.08Å; Q212-S215 WeakPolarHBondContact O-CB 3.37Å; Q212-S215 PolarHBondContact O-N 3.23Å; Q212-S215 PolarHBondContact O-OG 2.93Å; Q212-H364 PolarHBondContact O-CE1 3Å
213Q87.6Confident91.9Very high75 Ų7528 Ų2835%0.3515%0.154SC..G310 helixtrans-58.4-23.5173.769.4-163.536.900113.5W145 N153 E211W145-Q213 VanDerWaalsContact NE1-OE1 3.09Å; N153-Q213 PolarHBondContact OD1-NE2 2.75Å; E211-Q213 PolarHBondContact O-N 2.67Å; E211-Q213 VanDerWaalsContact O-N 3.12Å
214W91.4Very high91.8Very high17 Ų1728.1 Ų28.16%0.06416%0.155CC..G310 helixtrans-93.5-0.6177.4-50.3129.5000113.5N153 I156 E157 L160 E211 Q212 L216 H217 V218N153-W214 HydrophobicContact CB-CH2 4.31Å; N153-W214 HydrophobicContact CB-CZ2 4.1Å; N153-W214 WeakPolarHBondContact O-CH2 3.48Å; N153-W214 WeakPolarHBondContact O-CZ2 3.2Å; I156-W214 HydrophobicContact CB-CZ2 3.99Å; I156-W214 HydrophobicContact CG2-CD2 4.1Å; I156-W214 HydrophobicContact CG2-CG 4.43Å; I156-W214 HydrophobicContact CG2-CZ2 3.86Å; E157-W214 HydrophobicContact CB-CH2 3.82Å; E157-W214 HydrophobicContact CB-CZ3 3.61Å; E157-W214 HydrophobicContact CG-CZ3 3.88Å; L160-W214 HydrophobicContact CD1-CB 3.93Å; L160-W214 HydrophobicContact CD1-CD2 4.23Å; L160-W214 HydrophobicContact CD1-CE3 4.44Å; L160-W214 HydrophobicContact CD1-CG 4.03Å; E211-W214 PolarHBondContact O-N 3.04Å; E211-W214 VanDerWaalsContact OE2-CD1 3.31Å; E211-W214 PolarHBondContact OE2-NE1 3.15Å; Q212-W214 PolarHBondContact O-N 3.08Å; W214-L216 PolarHBondContact O-N 3.31Å; W214-H217 WeakPolarHBondContact O-CB 3.46Å; W214-H217 PolarHBondContact O-N 2.95Å; W214-H217 VanDerWaalsContact O-N 3.12Å; W214-V218 HydrophobicContact CB-CG2 4.4Å; W214-V218 WeakPolarHBondContact O-CG2 3.21Å; W214-V218 PolarHBondContact O-N 3.38Å
215S92.1Very high91.6Very high6 Ų623.6 Ų23.64%0.04214%0.135CC..Hα-helixtrans-57.3-41.7-17260.60000113.9Q212 L219Q212-S215 WeakPolarHBondContact O-CB 3.37Å; Q212-S215 PolarHBondContact O-N 3.23Å; Q212-S215 PolarHBondContact O-OG 2.93Å; S215-L219 WeakPolarHBondContact O-CB 3.36Å; S215-L219 PolarHBondContact O-N 3.2Å
216L92.1Very high91.5Very high30 Ų3023.3 Ų23.316%0.15713%0.133CC..Hα-helixtrans-61-52.1174.4-70.1168.8000111.5W214 V218 L219 E220 V361 H364 L365 H373W214-L216 PolarHBondContact O-N 3.31Å; L216-V218 VanDerWaalsContact C-N 3.34Å; L216-V218 PolarHBondContact O-N 3.45Å; L216-L219 PolarHBondContact O-N 3.4Å; L216-L219 VanDerWaalsContact O-N 3.16Å; L216-E220 PolarHBondContact O-N 3.5Å; L216-V361 HydrophobicContact CD2-CB 4.47Å; L216-V361 HydrophobicContact CD2-CG1 3.77Å; L216-V361 HydrophobicContact CD2-CG2 4.22Å; L216-H364 HydrophobicContact CD1-CB 4.5Å; L216-L365 HydrophobicContact CD2-CD2 4.45Å; L216-H373 HydrophobicContact CD1-CB 4.48Å
217H93.4Very high91.1Very high39 Ų3925.8 Ų25.818%0.18114%0.142CC..Hα-helixtrans-57.8-43.7179.8-65.399.1000112.6L160 W214 E220 I221L160-H217 HydrophobicContact CB-CB 4.22Å; L160-H217 HydrophobicContact CD1-CB 4.19Å; W214-H217 WeakPolarHBondContact O-CB 3.46Å; W214-H217 PolarHBondContact O-N 2.95Å; W214-H217 VanDerWaalsContact O-N 3.12Å; H217-E220 PolarHBondContact O-N 3.33Å; H217-I221 WeakPolarHBondContact O-CD1 3.4Å; H217-I221 VanDerWaalsContact O-CG1 3.27Å; H217-I221 WeakPolarHBondContact O-CG1 3.39Å; H217-I221 PolarHBondContact O-N 2.95Å
218V95.3Very high90.6Very high1 Ų126.7 Ų26.71%0.00614%0.144CC..Hα-helixtrans-67.8-40177.8176.60000111.1L202 L205 A206 W214 L216 I221 V222 L357L202-V218 HydrophobicContact CD2-CG1 4.25Å; L202-V218 HydrophobicContact CD2-CG2 4.34Å; L205-V218 HydrophobicContact CB-CG2 3.83Å; L205-V218 HydrophobicContact CD1-CG2 4.07Å; A206-V218 HydrophobicContact CB-CG1 3.98Å; W214-V218 HydrophobicContact CB-CG2 4.4Å; W214-V218 WeakPolarHBondContact O-CG2 3.21Å; W214-V218 PolarHBondContact O-N 3.38Å; L216-V218 VanDerWaalsContact C-N 3.34Å; L216-V218 PolarHBondContact O-N 3.45Å; V218-I221 PolarHBondContact O-N 2.91Å; V218-V222 HydrophobicContact CG1-CG2 4.29Å; V218-V222 WeakPolarHBondContact O-CB 3.11Å; V218-V222 VanDerWaalsContact O-CG2 3.32Å; V218-V222 WeakPolarHBondContact O-CG2 3.36Å; V218-V222 PolarHBondContact O-N 3.32Å; V218-L357 HydrophobicContact CB-CD1 4.43Å; V218-L357 HydrophobicContact CG1-CD1 4.47Å; V218-L357 HydrophobicContact CG1-CD2 4.42Å
219L95.3Very high90.2Very high4 Ų426.1 Ų26.12%0.02114%0.139CC..Hα-helixtrans-64.8-38.6175.7-172.168.2000112.2S215 L216 S223 L357 M358 V361 A381S215-L219 WeakPolarHBondContact O-CB 3.36Å; S215-L219 PolarHBondContact O-N 3.2Å; L216-L219 PolarHBondContact O-N 3.4Å; L216-L219 VanDerWaalsContact O-N 3.16Å; L219-S223 WeakPolarHBondContact O-CB 3.48Å; L219-S223 PolarHBondContact O-N 2.96Å; L219-S223 PolarHBondContact O-OG 2.84Å; L219-L357 HydrophobicContact CB-CD2 4.15Å; L219-L357 HydrophobicContact CD1-CD2 3.86Å; L219-M358 HydrophobicContact CD1-SD 3.9Å; L219-M358 HydrophobicContact CD2-SD 4.27Å; L219-V361 HydrophobicContact CB-CG2 4.23Å; L219-V361 HydrophobicContact CD2-CB 4.21Å; L219-V361 HydrophobicContact CD2-CG1 3.78Å; L219-V361 HydrophobicContact CD2-CG2 3.97Å; L219-A381 HydrophobicContact CD1-CB 3.68Å; L219-A381 HydrophobicContact CG-CB 4.43Å
220E93.6Very high90.3Very high28 Ų2824.4 Ų24.413%0.13112%0.124CC..Hα-helixtrans-61.3-52.3172.6-72-157.6-14300111.3R164 L216 H217 V222 S223 L224 Y377R164-E220 WeakPolarHBondContact CD-OE2 3.46Å; R164-E220 HydrophobicContact CG-CB 3.81Å; R164-E220 VanDerWaalsContact CG-OE2 3.26Å; R164-E220 WeakPolarHBondContact CG-OE2 3.3Å; R164-E220 IonicContact CZ-OE2 3.41Å; R164-E220 IonicContact NE-OE2 2.67Å; R164-E220 VanDerWaalsContact NH1-CD 3.32Å; R164-E220 IonicContact NH1-OE1 2.77Å; R164-E220 PolarHBondContact NH1-OE1 3.49Å; R164-E220 IonicContact NH1-OE2 2.75Å; R164-E220 PolarHBondContact NH1-OE2 2.93Å; L216-E220 PolarHBondContact O-N 3.5Å; H217-E220 PolarHBondContact O-N 3.33Å; E220-V222 PolarHBondContact O-N 3.45Å; E220-S223 PolarHBondContact O-N 3.29Å; E220-L224 WeakPolarHBondContact O-CB 3.27Å; E220-L224 WeakPolarHBondContact O-CG 3.48Å; E220-L224 PolarHBondContact O-N 3.21Å; E220-Y377 HydrophobicContact CB-CE1 4.49Å; E220-Y377 HydrophobicContact CG-CD1 4.35Å; E220-Y377 HydrophobicContact CG-CD2 3.61Å; E220-Y377 HydrophobicContact CG-CE1 4.38Å; E220-Y377 HydrophobicContact CG-CE2 3.64Å; E220-Y377 HydrophobicContact CG-CG 3.96Å; E220-Y377 PolarHBondContact OE2-OH 2.9Å
221I95.4Very high90.3Very high0 Ų022.8 Ų22.80%011%0.11CC..Hα-helixtrans-55.9-51.8179.7-70.5165.2000110.4L160 V163 R164 L167 L202 H217 V218 S223 L224 M225L160-I221 HydrophobicContact CB-CD1 4.05Å; L160-I221 HydrophobicContact CD2-CD1 3.77Å; V163-I221 HydrophobicContact CB-CD1 4.29Å; V163-I221 HydrophobicContact CG1-CD1 4.19Å; V163-I221 HydrophobicContact CG1-CG1 4.24Å; V163-I221 HydrophobicContact CG1-CG2 3.98Å; R164-I221 HydrophobicContact CB-CG1 3.89Å; L167-I221 HydrophobicContact CD1-CG2 3.85Å; L202-I221 HydrophobicContact CD1-CG2 3.65Å; L202-I221 HydrophobicContact CD2-CB 4.37Å; L202-I221 HydrophobicContact CD2-CD1 4.07Å; L202-I221 HydrophobicContact CD2-CG2 3.87Å; L202-I221 HydrophobicContact CG-CG2 4.45Å; H217-I221 WeakPolarHBondContact O-CD1 3.4Å; H217-I221 VanDerWaalsContact O-CG1 3.27Å; H217-I221 WeakPolarHBondContact O-CG1 3.39Å; H217-I221 PolarHBondContact O-N 2.95Å; V218-I221 PolarHBondContact O-N 2.91Å; I221-S223 PolarHBondContact O-N 3.27Å; I221-L224 CarbonylContact O-C 3.53Å; I221-L224 PolarHBondContact O-N 3.44Å; I221-M225 HydrophobicContact CG2-SD 4.09Å; I221-M225 WeakPolarHBondContact O-CG 3.4Å; I221-M225 PolarHBondContact O-N 2.97Å
222V95.2Very high90.3Very high1 Ų126.5 Ų26.51%0.00613%0.127CC..Hα-helixtrans-61.8-45.8179.4168.80000110.9V218 E220 L224 M225 F226 F345 F349 F385V218-V222 HydrophobicContact CG1-CG2 4.29Å; V218-V222 WeakPolarHBondContact O-CB 3.11Å; V218-V222 VanDerWaalsContact O-CG2 3.32Å; V218-V222 WeakPolarHBondContact O-CG2 3.36Å; V218-V222 PolarHBondContact O-N 3.32Å; E220-V222 PolarHBondContact O-N 3.45Å; V222-L224 VanDerWaalsContact C-N 3.27Å; V222-L224 PolarHBondContact O-N 3.42Å; V222-M225 WeakPolarHBondContact O-CB 3.5Å; V222-M225 PolarHBondContact O-N 3.46Å; V222-M225 VanDerWaalsContact O-N 3.11Å; V222-F226 HydrophobicContact CG1-CD2 4.27Å; V222-F226 HydrophobicContact CG1-CE2 4.36Å; V222-F226 WeakPolarHBondContact O-CD2 3.23Å; V222-F226 PolarHBondContact O-N 3.09Å; V222-F345 HydrophobicContact CG1-CE1 4.31Å; V222-F345 HydrophobicContact CG2-CE1 4.21Å; V222-F345 HydrophobicContact CG2-CZ 4.09Å; V222-F349 HydrophobicContact CG1-CE1 4.37Å; V222-F349 HydrophobicContact CG1-CE2 4.36Å; V222-F349 HydrophobicContact CG1-CZ 4.12Å; V222-F385 HydrophobicContact CG1-CE2 3.98Å; V222-F385 HydrophobicContact CG1-CZ 3.54Å
223S93.2Very high90.1Very high3 Ų327.1 Ų27.12%0.02113%0.13CC..Hα-helixtrans-60.3-38.7176.9-600000112.2L219 E220 I221 F226 R227L219-S223 WeakPolarHBondContact O-CB 3.48Å; L219-S223 PolarHBondContact O-N 2.96Å; L219-S223 PolarHBondContact O-OG 2.84Å; E220-S223 PolarHBondContact O-N 3.29Å; I221-S223 PolarHBondContact O-N 3.27Å; S223-F226 PolarHBondContact O-N 3.04Å; S223-R227 PolarHBondContact O-N 3.34Å
224L92.2Very high90.1Very high13 Ų1323.6 Ų23.67%0.06811%0.114CC..Hα-helixtrans-72.8-25.1177.3-68.6169.7000113.2R164 L167 H168 H186 E220 I221 V222 R227 Y377R164-L224 HydrophobicContact CG-CD1 3.98Å; L167-L224 HydrophobicContact CB-CB 3.83Å; L167-L224 HydrophobicContact CB-CD1 4.38Å; H168-L224 HydrophobicContact CB-CD1 3.84Å; H168-L224 HydrophobicContact CB-CD2 4.39Å; H186-L224 PolarHBondContact CE1-O 3.28Å; H186-L224 VanDerWaalsContact CE1-O 3.24Å; H186-L224 PolarHBondContact NE2-O 3.06Å; E220-L224 WeakPolarHBondContact O-CB 3.27Å; E220-L224 WeakPolarHBondContact O-CG 3.48Å; E220-L224 PolarHBondContact O-N 3.21Å; I221-L224 CarbonylContact O-C 3.53Å; I221-L224 PolarHBondContact O-N 3.44Å; V222-L224 VanDerWaalsContact C-N 3.27Å; V222-L224 PolarHBondContact O-N 3.42Å; L224-R227 WeakPolarHBondContact O-CD 3.42Å; L224-R227 WeakPolarHBondContact O-CG 3.42Å; L224-Y377 HydrophobicContact CD2-CE1 4.16Å; L224-Y377 HydrophobicContact CG-CE1 4.09Å
225M92Very high89.7Confident0 Ų023.2 Ų23.20%011%0.114CC..Hα-helixtrans-68.8-34.1171.8-71.1166.363.700112.7L167 L190 I193 L202 I221 V222 F341 F345L167-M225 HydrophobicContact CD1-CG 3.87Å; L190-M225 HydrophobicContact CD2-CB 3.68Å; L190-M225 HydrophobicContact CD2-CE 4.45Å; L190-M225 HydrophobicContact CD2-CG 3.71Å; I193-M225 HydrophobicContact CG2-CE 4.42Å; L202-M225 HydrophobicContact CD1-SD 4.02Å; I221-M225 HydrophobicContact CG2-SD 4.09Å; I221-M225 WeakPolarHBondContact O-CG 3.4Å; I221-M225 PolarHBondContact O-N 2.97Å; V222-M225 WeakPolarHBondContact O-CB 3.5Å; V222-M225 PolarHBondContact O-N 3.46Å; V222-M225 VanDerWaalsContact O-N 3.11Å; M225-F341 HydrophobicContact CE-CZ 3.97Å; M225-F345 HydrophobicContact CE-CE1 4.5Å; M225-F345 HydrophobicContact CE-CE2 4.37Å; M225-F345 HydrophobicContact CE-CZ 4.32Å
226F90.6Very high88.9Confident0 Ų023.1 Ų23.10%011%0.114CC..Hα-helixtrans-100.4-2.4-176.7-72.3-87.5000114.2V222 S223 D228 Q229 L234 L342 F345 C346 W380 F384 F385V222-F226 HydrophobicContact CG1-CD2 4.27Å; V222-F226 HydrophobicContact CG1-CE2 4.36Å; V222-F226 WeakPolarHBondContact O-CD2 3.23Å; V222-F226 PolarHBondContact O-N 3.09Å; S223-F226 PolarHBondContact O-N 3.04Å; F226-D228 PolarHBondContact O-N 3.42Å; F226-Q229 HydrophobicContact CD1-CG 4.46Å; F226-Q229 WeakPolarHBondContact O-CB 3.47Å; F226-Q229 PolarHBondContact O-N 3.38Å; F226-L234 HydrophobicContact CD1-CD2 4.04Å; F226-L234 HydrophobicContact CE1-CD2 3.72Å; F226-L342 HydrophobicContact CD1-CB 4.39Å; F226-L342 HydrophobicContact CD1-CD2 4.23Å; F226-L342 HydrophobicContact CE1-CB 3.69Å; F226-L342 HydrophobicContact CE1-CD2 3.84Å; F226-L342 HydrophobicContact CE1-CG 4.24Å; F226-L342 VanDerWaalsContact CE1-O 3.29Å; F226-L342 WeakPolarHBondContact CE1-O 3.39Å; F226-L342 HydrophobicContact CE2-CD2 4.26Å; F226-L342 HydrophobicContact CZ-CB 4.22Å; F226-L342 HydrophobicContact CZ-CD2 3.83Å; F226-L342 WeakPolarHBondContact CZ-O 3.28Å; F226-F345 AromaticContact CE2-CD1 3.63Å; F226-F345 HydrophobicContact CE2-CD1 3.63Å; F226-F345 AromaticContact CE2-CE1 3.92Å; F226-F345 HydrophobicContact CE2-CE1 3.92Å; F226-F345 AromaticContact CZ-CD1 3.72Å; F226-F345 HydrophobicContact CZ-CD1 3.72Å; F226-F345 HydrophobicContact CZ-CE1 4.46Å; F226-C346 HydrophobicContact CE1-CB 3.88Å; F226-C346 HydrophobicContact CZ-CB 3.78Å; F226-W380 HydrophobicContact CB-CH2 3.57Å; F226-W380 HydrophobicContact CB-CZ3 4.2Å; F226-F384 HydrophobicContact CB-CD1 4.37Å; F226-F384 HydrophobicContact CB-CE1 3.91Å; F226-F384 HydrophobicContact CB-CE2 4.2Å; F226-F384 HydrophobicContact CB-CZ 3.83Å; F226-F384 AromaticContact CD1-CE1 3.54Å; F226-F384 HydrophobicContact CD1-CE1 3.54Å; F226-F384 AromaticContact CD1-CZ 3.53Å; F226-F384 HydrophobicContact CD1-CZ 3.53Å; F226-F384 HydrophobicContact CE1-CE1 4.21Å; F226-F384 HydrophobicContact CE1-CZ 4.42Å; F226-F384 AromaticContact CG-CE1 3.84Å; F226-F384 HydrophobicContact CG-CE1 3.84Å; F226-F384 HydrophobicContact CG-CZ 4.01Å; F226-F385 HydrophobicContact CD2-CE1 4.44Å; F226-F385 HydrophobicContact CD2-CZ 4.1Å; F226-F385 HydrophobicContact CE2-CE1 4.39Å; F226-F385 HydrophobicContact CE2-CZ 4.33Å
227R84.9Confident87.7Confident55 Ų5522 Ų2221%0.20811%0.108CC..THydrogen-bonded Turntrans-49.9-37-170.676.1-174.4-165.7176.53.8115.4L167 H168 V169 S223 L224L167-R227 PolarHBondContact O-NH1 2.67Å; H168-R227 PolarHBondContact O-NH1 3.37Å; V169-R227 PolarHBondContact O-NH1 3.43Å; S223-R227 PolarHBondContact O-N 3.34Å; L224-R227 WeakPolarHBondContact O-CD 3.42Å; L224-R227 WeakPolarHBondContact O-CG 3.42Å
228D82.1Confident86Confident57 Ų5722.5 Ų22.531%0.30512%0.123SC..THydrogen-bonded Turntrans-94.4-5.6-173.8-71.3-43.1000112.4H186 F226H186-D228 IonicContact CD2-OD2 2.78Å; H186-D228 PolarHBondContact CD2-OD2 2.86Å; H186-D228 IonicContact NE2-OD2 2.63Å; F226-D228 PolarHBondContact O-N 3.42Å
229Q84.7Confident84.1Confident14 Ų1427.7 Ų27.77%0.06515%0.148CC..  trans-86.7163.9-178.1-54.2-52.9-44.400113.4F226 S334 L342 F384F226-Q229 HydrophobicContact CD1-CG 4.46Å; F226-Q229 WeakPolarHBondContact O-CB 3.47Å; F226-Q229 PolarHBondContact O-N 3.38Å; Q229-S334 PolarHBondContact NE2-OG 3.41Å; Q229-L342 HydrophobicContact CG-CD1 3.7Å; Q229-F384 HydrophobicContact CB-CE2 4.12Å; Q229-F384 HydrophobicContact CB-CZ 4.22Å
230N85.8Confident82.1Confident34 Ų3430.6 Ų30.618%0.18218%0.178CC..  trans-113.1126.6163.7167.9-108.3000110E232 Q233 L234N230-E232 PolarHBondContact ND2-OE2 3.05Å; N230-E232 PolarHBondContact O-N 2.85Å; N230-Q233 HydrophobicContact CB-CB 4.24Å; N230-Q233 HydrophobicContact CB-CG 4.37Å; N230-Q233 PolarHBondContact O-N 3Å; N230-Q233 WeakPolarHBondContact OD1-CB 3.43Å; N230-Q233 WeakPolarHBondContact OD1-CG 3.4Å; N230-Q233 PolarHBondContact OD1-N 3.06Å; N230-L234 WeakPolarHBondContact O-CB 3.27Å; N230-L234 PolarHBondContact O-N 2.97Å
231P87.6Confident80.2Confident12 Ų1234.1 Ų34.18%0.07819%0.19CC..Hα-helixtrans-67.6-36.9-172.924.1-32.3000113.3Q233 L234 A235 F384 A387 F388P231-Q233 PolarHBondContact O-N 3.35Å; P231-L234 PolarHBondContact O-N 2.85Å; P231-A235 WeakPolarHBondContact O-CB 3.39Å; P231-A235 PolarHBondContact O-N 3.42Å; P231-F384 HydrophobicContact CB-CD2 4.12Å; P231-F384 HydrophobicContact CB-CE1 4.37Å; P231-F384 HydrophobicContact CB-CE2 3.92Å; P231-F384 HydrophobicContact CB-CG 4.43Å; P231-F384 HydrophobicContact CB-CZ 4.03Å; P231-F384 HydrophobicContact CG-CD2 4Å; P231-F384 HydrophobicContact CG-CE2 4.11Å; P231-A387 HydrophobicContact CB-CB 4.19Å; P231-A387 HydrophobicContact CG-CB 3.69Å; P231-F388 HydrophobicContact CB-CB 3.84Å
232E85.7Confident78.4Confident82 Ų8237.4 Ų37.438%0.38321%0.208SC..Hα-helixtrans-65.1-37.8176.8-65.487.2175.300113.1N230 G236 R390 A391N230-E232 PolarHBondContact ND2-OE2 3.05Å; N230-E232 PolarHBondContact O-N 2.85Å; E232-G236 PolarHBondContact O-N 3.49Å; E232-R390 IonicContact OE1-NH2 2.67Å; E232-R390 PolarHBondContact OE1-NH2 3.42Å; E232-A391 HydrophobicContact CB-CB 4.41Å; E232-A391 HydrophobicContact CG-CB 4.2Å
233Q82.9Confident76.8Confident99 Ų9940.9 Ų40.946%0.46324%0.237SC..Hα-helixtrans-67.6-43.5173.1-76.1169.840.700111.3N230 P231 G236 I237N230-Q233 HydrophobicContact CB-CB 4.24Å; N230-Q233 HydrophobicContact CB-CG 4.37Å; N230-Q233 PolarHBondContact O-N 3Å; N230-Q233 WeakPolarHBondContact OD1-CB 3.43Å; N230-Q233 WeakPolarHBondContact OD1-CG 3.4Å; N230-Q233 PolarHBondContact OD1-N 3.06Å; P231-Q233 PolarHBondContact O-N 3.35Å; Q233-G236 PolarHBondContact O-N 2.87Å; Q233-I237 WeakPolarHBondContact O-CG1 3.4Å
234L85.9Confident75.4Confident1 Ų147 Ų471%0.00527%0.265CS..Hα-helixtrans-63.5-44.1-178-165.172.8000112.2F226 N230 P231 G236 I237 R339 L342 R343 F384 F388F226-L234 HydrophobicContact CD1-CD2 4.04Å; F226-L234 HydrophobicContact CE1-CD2 3.72Å; N230-L234 WeakPolarHBondContact O-CB 3.27Å; N230-L234 PolarHBondContact O-N 2.97Å; P231-L234 PolarHBondContact O-N 2.85Å; L234-G236 VanDerWaalsContact C-N 3.25Å; L234-G236 PolarHBondContact O-N 3.3Å; L234-I237 HydrophobicContact CD1-CD1 4.25Å; L234-I237 WeakPolarHBondContact O-CG1 3.09Å; L234-I237 PolarHBondContact O-N 3.06Å; L234-R339 HydrophobicContact CD1-CB 4.01Å; L234-R339 HydrophobicContact CD1-CG 4.36Å; L234-R339 VanDerWaalsContact CD1-O 3.23Å; L234-R339 WeakPolarHBondContact CD1-O 3.5Å; L234-L342 HydrophobicContact CD1-CB 4.08Å; L234-L342 HydrophobicContact CD2-CB 4.21Å; L234-R343 HydrophobicContact CD1-CB 4.46Å; L234-R343 HydrophobicContact CG-CB 4.18Å; L234-F384 HydrophobicContact CD2-CZ 4.32Å; L234-F388 HydrophobicContact CB-CD2 4.19Å; L234-F388 HydrophobicContact CB-CE2 4.01Å; L234-F388 HydrophobicContact CD2-CD2 4.06Å; L234-F388 HydrophobicContact CD2-CE2 3.78Å; L234-F388 HydrophobicContact CG-CD2 4.4Å; L234-F388 HydrophobicContact CG-CE2 3.88Å
235A84.1Confident74.1Confident9 Ų949 Ų497%0.07427%0.274CS..Hα-helixtrans-67.1-21.3177.900000113.9P231 I237 F388 A391 A392P231-A235 WeakPolarHBondContact O-CB 3.39Å; P231-A235 PolarHBondContact O-N 3.42Å; A235-I237 VanDerWaalsContact C-N 3.31Å; A235-F388 HydrophobicContact CB-CD2 3.91Å; A235-F388 HydrophobicContact CB-CE2 3.85Å; A235-F388 HydrophobicContact CB-CG 4.42Å; A235-F388 HydrophobicContact CB-CZ 4.32Å; A235-A391 HydrophobicContact CB-CB 3.71Å; A235-A392 HydrophobicContact CB-CB 4.16Å
236G74.2Confident73.1Confident4 Ų457.3 Ų57.34%0.04131%0.305CS..THydrogen-bonded Turntrans-74.2-18.8177.500000114.6E232 Q233 L234 G238E232-G236 PolarHBondContact O-N 3.49Å; Q233-G236 PolarHBondContact O-N 2.87Å; L234-G236 VanDerWaalsContact C-N 3.25Å; L234-G236 PolarHBondContact O-N 3.3Å; G236-G238 PolarHBondContact O-N 3.28Å
237I67.9Low72.2Confident6 Ų660.6 Ų60.63%0.03133%0.328CS..THydrogen-bonded Turntrans-72.7129.9-167.4-56.3177.8000111Q233 L234 A235 L336 R339 L340 R343Q233-I237 WeakPolarHBondContact O-CG1 3.4Å; L234-I237 HydrophobicContact CD1-CD1 4.25Å; L234-I237 WeakPolarHBondContact O-CG1 3.09Å; L234-I237 PolarHBondContact O-N 3.06Å; A235-I237 VanDerWaalsContact C-N 3.31Å; I237-L336 HydrophobicContact CG2-CD1 4.02Å; I237-R339 HydrophobicContact CD1-CB 3.52Å; I237-R339 HydrophobicContact CD1-CG 4.37Å; I237-L340 HydrophobicContact CG2-CD2 3.62Å; I237-L340 HydrophobicContact CG2-CG 4.09Å; I237-R343 WeakPolarHBondContact O-CD 3.49Å; I237-R343 PolarHBondContact O-NH1 2.94Å
238G57.1Low71.6Confident49 Ų4960.6 Ų60.651%0.50534%0.34SS..THydrogen-bonded Turntrans98-15.1177.300000115.2G236 G240G236-G238 PolarHBondContact O-N 3.28Å; G238-G240 PolarHBondContact O-N 2.81Å
239Q56.7Low71.2Confident111 Ų11160 Ų6052%0.51934%0.337SS..SBendtrans-74.438177.7-62.3-173.5-2.600113.6R241Q239-R241 HydrophobicContact CB-CG 4.13Å; Q239-R241 PolarHBondContact O-N 2.65Å
240G51.8Low71Confident64 Ų6463.1 Ų63.166%0.6636%0.356SS*.SBendtrans65.4-5-172.100000115.2G238 L242G238-G240 PolarHBondContact O-N 2.81Å; G240-L242 PolarHBondContact O-N 2.93Å; G240-L242 VanDerWaalsContact O-N 3.09Å
241R53.4Low70.6Confident102 Ų10263.9 Ų63.939%0.38537%0.367SS..THydrogen-bonded Turntrans-64.6-15.6-169.6-66.6-173.8-167.1-166.87.7115.1Q239 A243 Q244 E245Q239-R241 HydrophobicContact CB-CG 4.13Å; Q239-R241 PolarHBondContact O-N 2.65Å; R241-A243 PolarHBondContact O-N 2.78Å; R241-Q244 CarbonylContact O-C 3.53Å; R241-Q244 WeakPolarHBondContact O-CA 3.32Å; R241-Q244 WeakPolarHBondContact O-CB 3.2Å; R241-Q244 PolarHBondContact O-N 3.47Å; R241-E245 HydrophobicContact CB-CG 4.16Å; R241-E245 VanDerWaalsContact CB-OE1 3.3Å; R241-E245 WeakPolarHBondContact CB-OE1 3.19Å; R241-E245 WeakPolarHBondContact O-CB 3.39Å; R241-E245 WeakPolarHBondContact O-CG 3.41Å; R241-E245 PolarHBondContact O-N 2.84Å
242L59.1Low70Confident70 Ų7068.7 Ų68.737%0.36639%0.389SS..Hα-helixtrans-51.8-30.7179.2-75.5166.2000114.2G240 R246 L336G240-L242 PolarHBondContact O-N 2.93Å; G240-L242 VanDerWaalsContact O-N 3.09Å; L242-R246 WeakPolarHBondContact O-CB 3.31Å; L242-R246 VanDerWaalsContact O-CD 3.28Å; L242-R246 WeakPolarHBondContact O-CD 3.24Å; L242-R246 WeakPolarHBondContact O-CG 3.47Å; L242-R246 PolarHBondContact O-N 3.01Å; L242-L336 HydrophobicContact CD1-CD2 4.43Å; L242-L336 HydrophobicContact CD2-CD1 4.29Å; L242-L336 HydrophobicContact CD2-CD2 4.09Å
243A60.7Low69.6Low74 Ų7469.8 Ų69.861%0.61240%0.397SS*.Hα-helixtrans-77.5-37.2172.500000113R241 S247R241-A243 PolarHBondContact O-N 2.78Å; A243-S247 PolarHBondContact O-N 3.36Å
244Q63.2Low69.4Low131 Ų13169.8 Ų69.861%0.61240%0.397SS*.Hα-helixtrans-73.2-42.1178.6-172176.52.100111.8R241 S247 A248R241-Q244 CarbonylContact O-C 3.53Å; R241-Q244 WeakPolarHBondContact O-CA 3.32Å; R241-Q244 WeakPolarHBondContact O-CB 3.2Å; R241-Q244 PolarHBondContact O-N 3.47Å; Q244-S247 WeakPolarHBondContact CA-OG 3.29Å; Q244-S247 CarbonylContact O-C 3.58Å; Q244-S247 WeakPolarHBondContact O-CA 3.33Å; Q244-S247 WeakPolarHBondContact O-CB 3.41Å; Q244-S247 PolarHBondContact O-N 3.39Å; Q244-S247 VanDerWaalsContact O-N 3.13Å; Q244-S247 PolarHBondContact O-OG 3.11Å; Q244-A248 WeakPolarHBondContact O-CB 3.48Å; Q244-A248 PolarHBondContact O-N 2.92Å
245E65.8Low68.8Low54 Ų5474.1 Ų74.125%0.25242%0.423SS..Hα-helixtrans-58.2-52171.8-73.9160.7-172.300110.2R241 S247 A248 D249R241-E245 HydrophobicContact CB-CG 4.16Å; R241-E245 VanDerWaalsContact CB-OE1 3.3Å; R241-E245 WeakPolarHBondContact CB-OE1 3.19Å; R241-E245 WeakPolarHBondContact O-CB 3.39Å; R241-E245 WeakPolarHBondContact O-CG 3.41Å; R241-E245 PolarHBondContact O-N 2.84Å; E245-S247 PolarHBondContact O-N 3.29Å; E245-A248 CarbonylContact O-C 3.57Å; E245-A248 WeakPolarHBondContact O-CA 3.48Å; E245-A248 WeakPolarHBondContact O-CB 3.45Å; E245-A248 PolarHBondContact O-N 3.31Å; E245-D249 PolarHBondContact O-N 3.21Å
246R69.9Low68.5Low176 Ų17677.9 Ų77.966%0.66444%0.441SS*.Hα-helixtrans-55.7-37.7172.5-74.5171.4-177.11791112.6L242 V250L242-R246 WeakPolarHBondContact O-CB 3.31Å; L242-R246 VanDerWaalsContact O-CD 3.28Å; L242-R246 WeakPolarHBondContact O-CD 3.24Å; L242-R246 WeakPolarHBondContact O-CG 3.47Å; L242-R246 PolarHBondContact O-N 3.01Å; R246-V250 VanDerWaalsContact O-CB 3.3Å; R246-V250 WeakPolarHBondContact O-CB 3.23Å; R246-V250 WeakPolarHBondContact O-CG2 3.39Å; R246-V250 PolarHBondContact O-N 3.27Å
247S72.2Confident68.7Low69 Ų6985.4 Ų85.448%0.48347%0.469SS..Hα-helixtrans-71.1-31.5175.380.50000113.4A243 Q244 E245 A251A243-S247 PolarHBondContact O-N 3.36Å; Q244-S247 WeakPolarHBondContact CA-OG 3.29Å; Q244-S247 CarbonylContact O-C 3.58Å; Q244-S247 WeakPolarHBondContact O-CA 3.33Å; Q244-S247 WeakPolarHBondContact O-CB 3.41Å; Q244-S247 PolarHBondContact O-N 3.39Å; Q244-S247 VanDerWaalsContact O-N 3.13Å; Q244-S247 PolarHBondContact O-OG 3.11Å; E245-S247 PolarHBondContact O-N 3.29Å; S247-A251 WeakPolarHBondContact O-CB 3.44Å; S247-A251 PolarHBondContact O-N 3.03Å
248A72.9Confident69.2Low54 Ų5491.3 Ų91.345%0.44650%0.496SS..Hα-helixtrans-76.5-44.9177.500000111.6Q244 E245 V250 A251 E252Q244-A248 WeakPolarHBondContact O-CB 3.48Å; Q244-A248 PolarHBondContact O-N 2.92Å; E245-A248 CarbonylContact O-C 3.57Å; E245-A248 WeakPolarHBondContact O-CA 3.48Å; E245-A248 WeakPolarHBondContact O-CB 3.45Å; E245-A248 PolarHBondContact O-N 3.31Å; A248-V250 VanDerWaalsContact C-N 3.31Å; A248-V250 PolarHBondContact O-N 2.9Å; A248-A251 CarbonylContact O-C 3.6Å; A248-A251 PolarHBondContact O-N 3.38Å; A248-A251 VanDerWaalsContact O-N 3.16Å; A248-E252 WeakPolarHBondContact O-CB 3.34Å; A248-E252 PolarHBondContact O-N 3.27Å
249D73.6Confident70Confident46 Ų4693.1 Ų93.125%0.24649%0.488CS..Hα-helixtrans-59.4-41.9171.2-71.6-39.3000110.4E245 E252 L253 R333E245-D249 PolarHBondContact O-N 3.21Å; D249-E252 PolarHBondContact O-N 2.99Å; D249-L253 VanDerWaalsContact O-CB 3.29Å; D249-L253 WeakPolarHBondContact O-CB 3.24Å; D249-L253 WeakPolarHBondContact O-CG 3.33Å; D249-L253 PolarHBondContact O-N 3.44Å; D249-R333 VanDerWaalsContact CG-NH1 3.31Å; D249-R333 IonicContact OD1-CZ 2.68Å; D249-R333 IonicContact OD1-NH1 2.69Å; D249-R333 PolarHBondContact OD1-NH1 2.87Å; D249-R333 IonicContact OD1-NH2 3.5Å; D249-R333 PolarHBondContact OD1-NH2 3.49Å; D249-R333 IonicContact OD2-NH1 3.79Å; D249-R333 PolarHBondContact OD2-NH1 3.41Å
250V80.7Confident71.2Confident79 Ų7993.3 Ų93.348%0.47949%0.489SS..Hα-helixtrans-63.5-43.1172.91660000111.7R246 A248 L253 E254R246-V250 VanDerWaalsContact O-CB 3.3Å; R246-V250 WeakPolarHBondContact O-CB 3.23Å; R246-V250 WeakPolarHBondContact O-CG2 3.39Å; R246-V250 PolarHBondContact O-N 3.27Å; A248-V250 VanDerWaalsContact C-N 3.31Å; A248-V250 PolarHBondContact O-N 2.9Å; V250-L253 PolarHBondContact O-N 3.44Å; V250-E254 WeakPolarHBondContact O-CG 3.2Å; V250-E254 PolarHBondContact O-N 2.92Å
251A77.4Confident72.6Confident50 Ų5094.6 Ų94.641%0.41348%0.478SS..Hα-helixtrans-65.7-37.4176.600000112.4S247 A248 E254 V255S247-A251 WeakPolarHBondContact O-CB 3.44Å; S247-A251 PolarHBondContact O-N 3.03Å; A248-A251 CarbonylContact O-C 3.6Å; A248-A251 PolarHBondContact O-N 3.38Å; A248-A251 VanDerWaalsContact O-N 3.16Å; A251-E254 PolarHBondContact O-N 3.2Å; A251-V255 WeakPolarHBondContact O-CG2 3.3Å; A251-V255 PolarHBondContact O-N 3.37Å
252E74.6Confident73.6Confident112 Ų11291 Ų9152%0.52347%0.471SS..Hα-helixtrans-67.7-44.7174-178.9160.4-157.200111.1A248 D249 E254 V255 L256A248-E252 WeakPolarHBondContact O-CB 3.34Å; A248-E252 PolarHBondContact O-N 3.27Å; D249-E252 PolarHBondContact O-N 2.99Å; E252-E254 VanDerWaalsContact C-N 3.28Å; E252-E254 PolarHBondContact O-N 2.98Å; E252-V255 CarbonylContact O-C 3.32Å; E252-V255 PolarHBondContact O-N 3.06Å; E252-V255 VanDerWaalsContact O-N 3.1Å; E252-L256 HydrophobicContact CG-CD1 4.06Å; E252-L256 HydrophobicContact CG-CG 4.34Å; E252-L256 WeakPolarHBondContact O-CB 3.46Å; E252-L256 VanDerWaalsContact O-CG 3.31Å; E252-L256 WeakPolarHBondContact O-CG 3.2Å; E252-L256 PolarHBondContact O-N 2.94Å
253L78.4Confident74.5Confident105 Ų10590.4 Ų90.455%0.5547%0.466SS..Hα-helixtrans-59.9-35.7172.3-74.2168.3000112.2D249 V250 R257D249-L253 VanDerWaalsContact O-CB 3.29Å; D249-L253 WeakPolarHBondContact O-CB 3.24Å; D249-L253 WeakPolarHBondContact O-CG 3.33Å; D249-L253 PolarHBondContact O-N 3.44Å; V250-L253 PolarHBondContact O-N 3.44Å; L253-R257 WeakPolarHBondContact O-CB 3.34Å; L253-R257 PolarHBondContact O-N 2.98Å
254E77.2Confident75.5Confident99 Ų9993 Ų9346%0.46346%0.464SS..Hα-helixtrans-67.5-41.7171.8-78.7-170.2-176.400112.4V250 A251 E252 R257 Q258V250-E254 WeakPolarHBondContact O-CG 3.2Å; V250-E254 PolarHBondContact O-N 2.92Å; A251-E254 PolarHBondContact O-N 3.2Å; E252-E254 VanDerWaalsContact C-N 3.28Å; E252-E254 PolarHBondContact O-N 2.98Å; E254-R257 PolarHBondContact O-N 3.36Å; E254-Q258 WeakPolarHBondContact O-CB 3.49Å; E254-Q258 WeakPolarHBondContact O-CG 3.08Å; E254-Q258 PolarHBondContact O-N 3.01Å
255V74.4Confident76.3Confident92 Ų9293.3 Ų93.356%0.55846%0.463SS*.Hα-helixtrans-65.1-42.4175168.30000111.3A251 E252 Q258 R259A251-V255 WeakPolarHBondContact O-CG2 3.3Å; A251-V255 PolarHBondContact O-N 3.37Å; E252-V255 CarbonylContact O-C 3.32Å; E252-V255 PolarHBondContact O-N 3.06Å; E252-V255 VanDerWaalsContact O-N 3.1Å; V255-Q258 PolarHBondContact O-N 3.36Å; V255-R259 WeakPolarHBondContact O-CB 3.18Å; V255-R259 PolarHBondContact O-N 3.19Å
256L77.1Confident76.6Confident88 Ų8892.9 Ų92.946%0.46146%0.464SS..Hα-helixtrans-63.8-44.3174.9-70.4172.5000111.3E252 Q258 R259 E260E252-L256 HydrophobicContact CG-CD1 4.06Å; E252-L256 HydrophobicContact CG-CG 4.34Å; E252-L256 WeakPolarHBondContact O-CB 3.46Å; E252-L256 VanDerWaalsContact O-CG 3.31Å; E252-L256 WeakPolarHBondContact O-CG 3.2Å; E252-L256 PolarHBondContact O-N 2.94Å; L256-Q258 PolarHBondContact O-N 3.25Å; L256-R259 WeakPolarHBondContact O-CB 3.45Å; L256-R259 PolarHBondContact O-N 2.86Å; L256-E260 PolarHBondContact O-N 3.49Å
257R79.4Confident76.9Confident163 Ų16391.4 Ų91.462%0.61546%0.458SS*.Hα-helixtrans-62.5-40.2173.7-176.7-175.2-67.1162.8-0.3112L253 E254 M261L253-R257 WeakPolarHBondContact O-CB 3.34Å; L253-R257 PolarHBondContact O-N 2.98Å; E254-R257 PolarHBondContact O-N 3.36Å; R257-M261 VanDerWaalsContact O-CB 3.29Å; R257-M261 WeakPolarHBondContact O-CB 3.43Å; R257-M261 VanDerWaalsContact O-CG 3.25Å; R257-M261 WeakPolarHBondContact O-CG 3.18Å; R257-M261 PolarHBondContact O-N 2.8Å
258Q77Confident77.2Confident130 Ų13091 Ų9161%0.60746%0.459SS*.Hα-helixtrans-64.7-41.2174.7-76.1175.151.400111.5E254 V255 L256 M261 A262E254-Q258 WeakPolarHBondContact O-CB 3.49Å; E254-Q258 WeakPolarHBondContact O-CG 3.08Å; E254-Q258 PolarHBondContact O-N 3.01Å; V255-Q258 PolarHBondContact O-N 3.36Å; L256-Q258 PolarHBondContact O-N 3.25Å; Q258-M261 PolarHBondContact O-N 3.13Å; Q258-A262 WeakPolarHBondContact O-CB 3.34Å; Q258-A262 PolarHBondContact O-N 3.28Å
259R73.5Confident77.2Confident86 Ų8694.9 Ų94.933%0.32547%0.472SS..Hα-helixtrans-63-49.2174.3179.2178.6173.2166.5-0.4111.7V255 L256 M261 A262 E263 Q716V255-R259 WeakPolarHBondContact O-CB 3.18Å; V255-R259 PolarHBondContact O-N 3.19Å; L256-R259 WeakPolarHBondContact O-CB 3.45Å; L256-R259 PolarHBondContact O-N 2.86Å; R259-M261 VanDerWaalsContact C-N 3.33Å; R259-M261 PolarHBondContact O-N 2.92Å; R259-A262 WeakPolarHBondContact O-CB 3.47Å; R259-A262 PolarHBondContact O-N 3.26Å; R259-A262 VanDerWaalsContact O-N 3.13Å; R259-E263 IonicContact NE-OE1 3.7Å; R259-E263 PolarHBondContact NE-OE1 3.33Å; R259-E263 PolarHBondContact O-N 3.36Å; R259-Q716 PolarHBondContact NH1-O 3.13Å; R259-Q716 VanDerWaalsContact NH1-O 3.08Å
260E82.7Confident77Confident116 Ų11697.4 Ų97.454%0.54248%0.482SS..Hα-helixtrans-59.1-44.5176.5-164.6-140.3139.900111L256 A262 E263 K264L256-E260 PolarHBondContact O-N 3.49Å; E260-A262 VanDerWaalsContact C-N 3.33Å; E260-A262 PolarHBondContact O-N 3.05Å; E260-E263 PolarHBondContact O-N 3.41Å; E260-K264 VanDerWaalsContact O-CB 3.27Å; E260-K264 WeakPolarHBondContact O-CB 3.36Å; E260-K264 PolarHBondContact O-N 2.83Å
261M81.4Confident76.5Confident90 Ų90102.7 Ų102.744%0.44349%0.494SS..Hα-helixtrans-67.2-30.5176.7-74.3-70.4-79.200113.2R257 Q258 R259 K264 K265R257-M261 VanDerWaalsContact O-CB 3.29Å; R257-M261 WeakPolarHBondContact O-CB 3.43Å; R257-M261 VanDerWaalsContact O-CG 3.25Å; R257-M261 WeakPolarHBondContact O-CG 3.18Å; R257-M261 PolarHBondContact O-N 2.8Å; Q258-M261 PolarHBondContact O-N 3.13Å; R259-M261 VanDerWaalsContact C-N 3.33Å; R259-M261 PolarHBondContact O-N 2.92Å; M261-K264 HydrophobicContact SD-CD 4.25Å; M261-K265 WeakPolarHBondContact O-CB 3.49Å; M261-K265 WeakPolarHBondContact O-CD 3.43Å; M261-K265 VanDerWaalsContact O-CG 3.24Å; M261-K265 WeakPolarHBondContact O-CG 3.42Å; M261-K265 PolarHBondContact O-N 2.99Å; M261-K265 VanDerWaalsContact O-N 3.1Å
262A75.4Confident76.1Confident28 Ų28102 Ų10223%0.23149%0.491CS..Hα-helixtrans-70.5-44.5171.800000111.5Q258 R259 E260 K265 T266 P759Q258-A262 WeakPolarHBondContact O-CB 3.34Å; Q258-A262 PolarHBondContact O-N 3.28Å; R259-A262 WeakPolarHBondContact O-CB 3.47Å; R259-A262 PolarHBondContact O-N 3.26Å; R259-A262 VanDerWaalsContact O-N 3.13Å; E260-A262 VanDerWaalsContact C-N 3.33Å; E260-A262 PolarHBondContact O-N 3.05Å; A262-K265 WeakPolarHBondContact O-CB 3.27Å; A262-K265 PolarHBondContact O-N 3.45Å; A262-T266 PolarHBondContact O-N 3.37Å; A262-T266 PolarHBondContact O-OG1 3Å; A262-P759 HydrophobicContact CB-CB 4.11Å; A262-P759 HydrophobicContact CB-CG 4.12Å
263E77.4Confident76.1Confident56 Ų56104.8 Ų104.826%0.26251%0.509SS..Hα-helixtrans-63.3-39.7173.4-73-168.9-14300112.1R259 E260 K265 T266 R267R259-E263 IonicContact NE-OE1 3.7Å; R259-E263 PolarHBondContact NE-OE1 3.33Å; R259-E263 PolarHBondContact O-N 3.36Å; E260-E263 PolarHBondContact O-N 3.41Å; E263-K265 VanDerWaalsContact C-N 3.3Å; E263-K265 PolarHBondContact O-N 2.97Å; E263-T266 WeakPolarHBondContact CA-OG1 3.32Å; E263-T266 PolarHBondContact O-N 3.41Å; E263-T266 PolarHBondContact O-OG1 2.73Å; E263-T266 VanDerWaalsContact O-OG1 3.09Å; E263-R267 VanDerWaalsContact O-CB 3.26Å; E263-R267 WeakPolarHBondContact O-CB 3.37Å; E263-R267 WeakPolarHBondContact O-CG 3.44Å; E263-R267 PolarHBondContact O-N 2.89Å; E263-R267 IonicContact OE2-CZ 3.97Å; E263-R267 IonicContact OE2-NE 2.77Å; E263-R267 IonicContact OE2-NH2 2.83Å; E263-R267 PolarHBondContact OE2-NH2 3.31Å
264K81.3Confident75.9Confident129 Ų129107.8 Ų107.856%0.56151%0.513SS*.Hα-helixtrans-61.6-39.4174.6-166.7169.2-173.8168.60111.2E260 M261 A268E260-K264 VanDerWaalsContact O-CB 3.27Å; E260-K264 WeakPolarHBondContact O-CB 3.36Å; E260-K264 PolarHBondContact O-N 2.83Å; M261-K264 HydrophobicContact SD-CD 4.25Å; K264-A268 VanDerWaalsContact O-CB 3.29Å; K264-A268 WeakPolarHBondContact O-CB 3.44Å; K264-A268 PolarHBondContact O-N 3.19Å
265K78.9Confident75.9Confident138 Ų138109.4 Ų109.460%0.652%0.52SS*.Hα-helixtrans-67.4-43.7173-74.4168.1-177.2176.20112.9M261 A262 E263 A268 L269M261-K265 WeakPolarHBondContact O-CB 3.49Å; M261-K265 WeakPolarHBondContact O-CD 3.43Å; M261-K265 VanDerWaalsContact O-CG 3.24Å; M261-K265 WeakPolarHBondContact O-CG 3.42Å; M261-K265 PolarHBondContact O-N 2.99Å; M261-K265 VanDerWaalsContact O-N 3.1Å; A262-K265 WeakPolarHBondContact O-CB 3.27Å; A262-K265 PolarHBondContact O-N 3.45Å; E263-K265 VanDerWaalsContact C-N 3.3Å; E263-K265 PolarHBondContact O-N 2.97Å; K265-A268 PolarHBondContact O-N 2.86Å; K265-L269 WeakPolarHBondContact O-CG 3.29Å; K265-L269 PolarHBondContact O-N 2.84Å
266T73.4Confident75.8Confident45 Ų45111 Ų11128%0.27654%0.536SS..Hα-helixtrans-70-38.7178.157.60000112.1A262 E263 A268 L269 Q270 P759A262-T266 PolarHBondContact O-N 3.37Å; A262-T266 PolarHBondContact O-OG1 3Å; E263-T266 WeakPolarHBondContact CA-OG1 3.32Å; E263-T266 PolarHBondContact O-N 3.41Å; E263-T266 PolarHBondContact O-OG1 2.73Å; E263-T266 VanDerWaalsContact O-OG1 3.09Å; T266-A268 VanDerWaalsContact C-N 3.32Å; T266-A268 PolarHBondContact O-N 3.16Å; T266-L269 PolarHBondContact O-N 3.47Å; T266-Q270 VanDerWaalsContact O-CG 3.31Å; T266-Q270 WeakPolarHBondContact O-CG 3.45Å; T266-Q270 PolarHBondContact O-N 2.93Å; T266-P759 HydrophobicContact CG2-CG 4.13Å
267R76.1Confident75.6Confident144 Ų144117.5 Ų117.554%0.54355%0.554SS.*Hα-helixtrans-61.3-38.1170.7-67.7170.1-162.8-160.59.6111.5E263 Q270 R271E263-R267 VanDerWaalsContact O-CB 3.26Å; E263-R267 WeakPolarHBondContact O-CB 3.37Å; E263-R267 WeakPolarHBondContact O-CG 3.44Å; E263-R267 PolarHBondContact O-N 2.89Å; E263-R267 IonicContact OE2-CZ 3.97Å; E263-R267 IonicContact OE2-NE 2.77Å; E263-R267 IonicContact OE2-NH2 2.83Å; E263-R267 PolarHBondContact OE2-NH2 3.31Å; R267-Q270 PolarHBondContact O-N 2.91Å; R267-R271 WeakPolarHBondContact O-CG 3.26Å; R267-R271 PolarHBondContact O-N 3.03Å
268A78.6Confident75.3Confident60 Ų60115 Ų11550%0.49655%0.548SS..Hα-helixtrans-65.7-41.6173.200000112.5K264 K265 T266 Q270 R271K264-A268 VanDerWaalsContact O-CB 3.29Å; K264-A268 WeakPolarHBondContact O-CB 3.44Å; K264-A268 PolarHBondContact O-N 3.19Å; K265-A268 PolarHBondContact O-N 2.86Å; T266-A268 VanDerWaalsContact C-N 3.32Å; T266-A268 PolarHBondContact O-N 3.16Å; A268-Q270 VanDerWaalsContact C-N 3.27Å; A268-Q270 PolarHBondContact O-N 2.73Å; A268-R271 PolarHBondContact O-N 3.09Å
269L72.4Confident74.8Confident136 Ų136111.2 Ų111.271%0.71254%0.544SS*.Hα-helixtrans-67.9-22175.3-70.8167.1000114K265 T266K265-L269 WeakPolarHBondContact O-CG 3.29Å; K265-L269 PolarHBondContact O-N 2.84Å; T266-L269 PolarHBondContact O-N 3.47Å
270Q68.9Low74.9Confident99 Ų99107.9 Ų107.946%0.46354%0.536SS..Hα-helixtrans-87.4-16.7174.6-71.4172.214.400113.4T266 R267 A268 H302T266-Q270 VanDerWaalsContact O-CG 3.31Å; T266-Q270 WeakPolarHBondContact O-CG 3.45Å; T266-Q270 PolarHBondContact O-N 2.93Å; R267-Q270 PolarHBondContact O-N 2.91Å; A268-Q270 VanDerWaalsContact C-N 3.27Å; A268-Q270 PolarHBondContact O-N 2.73Å; Q270-H302 PolarHBondContact O-CD2 2.94Å
271R70.6Confident74.8Confident191 Ų191106.1 Ų106.172%0.72154%0.537SS*.SBendtrans-79.8141.2170.2-72.9170.9178.2-166.1-3.7109.1R267 A268R267-R271 WeakPolarHBondContact O-CG 3.26Å; R267-R271 PolarHBondContact O-N 3.03Å; A268-R271 PolarHBondContact O-N 3.09Å
272G69.7Low74.8Confident34 Ų34105.5 Ų105.535%0.35153%0.53SS..  trans-76.2146.1171.600000111.4R274 H302G272-R274 PolarHBondContact O-N 3.17Å; G272-H302 WeakPolarHBondContact CA-CE1 3.26Å
273N74.4Confident75.1Confident171 Ų171109.7 Ų109.791%0.91455%0.547SS*.SBendtrans-68.120.2175.3-50.729.9000113.6
274R73.8Confident75.2Confident168 Ų168108.4 Ų108.463%0.63454%0.543SS*.SBendtrans-151.9154.2-175.6-67.5-170.6175-162.6-5.2109.8G272 F278G272-R274 PolarHBondContact O-N 3.17Å; R274-F278 HydrophobicContact CB-CB 4.11Å; R274-F278 HydrophobicContact CB-CD1 4.26Å; R274-F278 HydrophobicContact CB-CG 4.26Å; R274-F278 VanDerWaalsContact NH1-CE2 3.32Å
275H77.9Confident75Confident133 Ų133110.4 Ų110.462%0.61656%0.555SS**  trans-54.5153.6-17960.944000113.8R277 F278H275-R277 PolarHBondContact O-N 2.98Å; H275-F278 PolarHBondContact ND1-N 2.86Å; H275-F278 WeakPolarHBondContact O-CB 3.45Å; H275-F278 PolarHBondContact O-N 3.19Å
276S72.3Confident74.6Confident125 Ų125107.4 Ų107.487%0.87456%0.563SS**THydrogen-bonded Turntrans-51.5-32.7-178.256.70000114.7F278S276-F278 PolarHBondContact O-N 3.42Å
277R71.5Confident74.7Confident226 Ų226109 Ų10985%0.85357%0.569SS**THydrogen-bonded Turntrans-70.9-4.7178.8-60.5177.970.9-160.93.2114.5H275 G279H275-R277 PolarHBondContact O-N 2.98Å; R277-G279 VanDerWaalsContact C-N 3.25Å; R277-G279 PolarHBondContact O-N 3.18Å
278F73.1Confident74.6Confident110 Ų110108.4 Ų108.448%0.48257%0.57SS.*  trans-84.665.6178.8-168.1-103.4000111.1R274 H275 S276 G280R274-F278 HydrophobicContact CB-CB 4.11Å; R274-F278 HydrophobicContact CB-CD1 4.26Å; R274-F278 HydrophobicContact CB-CG 4.26Å; R274-F278 VanDerWaalsContact NH1-CE2 3.32Å; H275-F278 PolarHBondContact ND1-N 2.86Å; H275-F278 WeakPolarHBondContact O-CB 3.45Å; H275-F278 PolarHBondContact O-N 3.19Å; S276-F278 PolarHBondContact O-N 3.42Å; F278-G280 PolarHBondContact O-N 3.04Å
279G66.8Low74.2Confident50 Ų50107.6 Ų107.652%0.51556%0.561SS.*  trans-74.177-177.600000113.7R277 S281R277-G279 VanDerWaalsContact C-N 3.25Å; R277-G279 PolarHBondContact O-N 3.18Å; G279-S281 PolarHBondContact O-N 3.15Å
280G76.1Confident74Confident17 Ų17109.7 Ų109.718%0.17557%0.571CS.*  trans-60.1122.9167.600000110.6F278 Y282 H298F278-G280 PolarHBondContact O-N 3.04Å; G280-Y282 WeakPolarHBondContact O-CD2 3.41Å; G280-Y282 VanDerWaalsContact O-CE2 3.3Å; G280-Y282 WeakPolarHBondContact O-CE2 3.32Å; G280-H298 CarbonylContact O-C 3.56Å; G280-H298 VanDerWaalsContact O-C 3.23Å; G280-H298 WeakPolarHBondContact O-CA 3.48Å
281S80.7Confident73.7Confident79 Ų79107.5 Ų107.555%0.55258%0.575SS**  trans-103.7118.2179-61.50000110G279 H298G279-S281 PolarHBondContact O-N 3.15Å; S281-H298 PolarHBondContact OG-ND1 3.22Å
282Y81.8Confident73.6Confident77 Ų77105 Ų10530%0.30257%0.571SS.*EExtended strand (participates in β ladder)trans-117.6149.9-175.2-53.6-81000110.4G280 I296 F297 K299 L301G280-Y282 WeakPolarHBondContact O-CD2 3.41Å; G280-Y282 VanDerWaalsContact O-CE2 3.3Å; G280-Y282 WeakPolarHBondContact O-CE2 3.32Å; Y282-I296 CarbonylContact O-C 3.55Å; Y282-I296 WeakPolarHBondContact O-CA 3.48Å; Y282-F297 HydrophobicContact CD2-CD1 4.37Å; Y282-F297 PolarHBondContact N-O 2.93Å; Y282-F297 PolarHBondContact O-N 2.96Å; Y282-K299 WeakPolarHBondContact CD2-O 3.46Å; Y282-K299 WeakPolarHBondContact CE2-O 3.43Å; Y282-L301 HydrophobicContact CD1-CD2 3.67Å; Y282-L301 HydrophobicContact CD1-CG 4.17Å; Y282-L301 HydrophobicContact CD2-CD2 3.97Å; Y282-L301 HydrophobicContact CD2-CG 4.4Å; Y282-L301 HydrophobicContact CE1-CD1 3.96Å; Y282-L301 HydrophobicContact CE1-CD2 3.83Å; Y282-L301 HydrophobicContact CE1-CG 3.77Å; Y282-L301 HydrophobicContact CE2-CD2 4.11Å; Y282-L301 HydrophobicContact CE2-CG 4.03Å; Y282-L301 HydrophobicContact CG-CD2 3.75Å; Y282-L301 HydrophobicContact CG-CG 4.47Å
283I82.1Confident73.8Confident116 Ų116113 Ų11360%0.59559%0.591SS**EExtended strand (participates in β ladder)trans-107.3124.7173.4-58.9175.2000108Q285 D294 L295I283-Q285 PolarHBondContact O-N 3.3Å; I283-D294 HydrophobicContact CG2-CB 3.57Å; I283-L295 WeakPolarHBondContact CA-O 3.45Å
284V78.6Confident74Confident29 Ų29108.2 Ų108.218%0.17657%0.566CS.*EExtended strand (participates in β ladder)trans-96.788.9-178-171.50000109G286 L287 L295 F297 L304V284-G286 PolarHBondContact O-N 3.23Å; V284-L287 HydrophobicContact CB-CB 4.47Å; V284-L287 HydrophobicContact CG1-CB 3.92Å; V284-L287 PolarHBondContact O-N 3.37Å; V284-L295 HydrophobicContact CB-CB 4.27Å; V284-L295 HydrophobicContact CG2-CD2 4.23Å; V284-L295 PolarHBondContact N-O 3.49Å; V284-F297 HydrophobicContact CG2-CB 4.13Å; V284-L304 HydrophobicContact CG1-CD1 4.46Å; V284-L304 HydrophobicContact CG2-CD1 3.69Å
285Q77.6Confident74.2Confident171 Ų171101 Ų10180%0.79954%0.54SS*.EExtended strand (participates in β ladder)trans-56.4130.5-179.4-69.5-179.8-19.700111.8I283 L287I283-Q285 PolarHBondContact O-N 3.3Å; Q285-L287 VanDerWaalsContact C-N 3.3Å; Q285-L287 PolarHBondContact O-N 3.03Å
286G70.9Confident74.1Confident74 Ų7499.4 Ų99.476%0.76354%0.535SS*.EExtended strand (participates in β ladder)trans83.7-3.3176.200000115V284 D294V284-G286 PolarHBondContact O-N 3.23Å; G286-D294 PolarHBondContact N-OD1 3.31Å
287L73.9Confident74.3Confident79 Ų7994 Ų9441%0.41450%0.495SS..EExtended strand (participates in β ladder)trans-10493.3167.5-162.9115.2000109.4V284 Q285 S289 L295 Y307V284-L287 HydrophobicContact CB-CB 4.47Å; V284-L287 HydrophobicContact CG1-CB 3.92Å; V284-L287 PolarHBondContact O-N 3.37Å; Q285-L287 VanDerWaalsContact C-N 3.3Å; Q285-L287 PolarHBondContact O-N 3.03Å; L287-S289 PolarHBondContact O-N 3.38Å; L287-L295 HydrophobicContact CD2-CB 4.05Å; L287-L295 HydrophobicContact CD2-CD2 3.54Å; L287-L295 HydrophobicContact CD2-CG 4.39Å; L287-L295 WeakPolarHBondContact O-CB 3.28Å; L287-L295 PolarHBondContact O-N 2.92Å; L287-Y307 HydrophobicContact CD2-CD1 4.2Å; L287-Y307 HydrophobicContact CD2-CE1 3.82Å
288K74.8Confident74.4Confident131 Ų13188.9 Ų88.957%0.5748%0.481SS*.EExtended strand (participates in β ladder)trans-60.3134178.1-70.4-168162.3-178.10111.2E292K288-E292 HydrophobicContact CD-CB 4.46Å; K288-E292 WeakPolarHBondContact CG-O 3.34Å; K288-E292 IonicContact NZ-OE1 3.63Å; K288-E292 PolarHBondContact NZ-OE1 3.19Å
289S70.3Confident74.3Confident43 Ų4388.6 Ų88.630%0.30148%0.479SS..  trans-74.9174.5162.867.80000111.2L287 G291 E292 R293L287-S289 PolarHBondContact O-N 3.38Å; S289-G291 PolarHBondContact O-N 2.89Å; S289-G291 VanDerWaalsContact O-N 3.13Å; S289-E292 PolarHBondContact O-N 3.4Å; S289-E292 VanDerWaalsContact O-N 3.09Å; S289-R293 VanDerWaalsContact CB-O 3.31Å; S289-R293 WeakPolarHBondContact CB-O 3.3Å; S289-R293 PolarHBondContact N-O 2.89Å; S289-R293 PolarHBondContact OG-O 3.06Å
290I67.3Low74.4Confident181 Ų18187.2 Ų87.293%0.92847%0.465SS*.THydrogen-bonded Turntrans-56.6-29.3179.9-60.5170.3000112.1
291G63.4Low74Confident53 Ų5391 Ų9155%0.54648%0.481SS..THydrogen-bonded Turntrans-100.738176.700000114.2S289 R293S289-G291 PolarHBondContact O-N 2.89Å; S289-G291 VanDerWaalsContact O-N 3.13Å; G291-R293 PolarHBondContact O-N 3.33Å
292E67.6Low73.4Confident137 Ų13791.1 Ų91.164%0.6447%0.473SS*.SBendtrans59.6-21.4179.9-63.8-140.1100.300118.8K288 S289K288-E292 HydrophobicContact CD-CB 4.46Å; K288-E292 WeakPolarHBondContact CG-O 3.34Å; K288-E292 IonicContact NZ-OE1 3.63Å; K288-E292 PolarHBondContact NZ-OE1 3.19Å; S289-E292 PolarHBondContact O-N 3.4Å; S289-E292 VanDerWaalsContact O-N 3.09Å
293R75.3Confident72.6Confident202 Ų20289.4 Ų89.476%0.76247%0.469SS*.SBendtrans-67.5150.2179.4-62.6170.8-171.1179.62.4111.1S289 G291S289-R293 VanDerWaalsContact CB-O 3.31Å; S289-R293 WeakPolarHBondContact CB-O 3.3Å; S289-R293 PolarHBondContact N-O 2.89Å; S289-R293 PolarHBondContact OG-O 3.06Å; G291-R293 PolarHBondContact O-N 3.33Å
294D78.2Confident71.9Confident71 Ų7186.8 Ų86.838%0.3846%0.455SS..EExtended strand (participates in β ladder)trans-52.7140.8172.2-76-40.3000111.4I283 G286 I296I283-D294 HydrophobicContact CG2-CB 3.57Å; G286-D294 PolarHBondContact N-OD1 3.31Å; D294-I296 PolarHBondContact O-N 3.21Å
295L77.6Confident71.3Confident18 Ų1896.8 Ų96.89%0.09449%0.49CS..EExtended strand (participates in β ladder)trans-65.9130.8-179.4174.473.5000112.1I283 V284 L287 Y307I283-L295 WeakPolarHBondContact CA-O 3.45Å; V284-L295 HydrophobicContact CB-CB 4.27Å; V284-L295 HydrophobicContact CG2-CD2 4.23Å; V284-L295 PolarHBondContact N-O 3.49Å; L287-L295 HydrophobicContact CD2-CB 4.05Å; L287-L295 HydrophobicContact CD2-CD2 3.54Å; L287-L295 HydrophobicContact CD2-CG 4.39Å; L287-L295 WeakPolarHBondContact O-CB 3.28Å; L287-L295 PolarHBondContact O-N 2.92Å; L295-Y307 WeakPolarHBondContact CD1-OH 3.41Å; L295-Y307 HydrophobicContact CD2-CD1 3.9Å; L295-Y307 HydrophobicContact CD2-CD2 4.22Å; L295-Y307 HydrophobicContact CD2-CE1 3.39Å; L295-Y307 HydrophobicContact CD2-CE2 3.75Å; L295-Y307 HydrophobicContact CD2-CG 4.29Å
296I77.2Confident70.6Confident99 Ų9993.3 Ų93.351%0.50848%0.477SS..EExtended strand (participates in β ladder)trans-90.8128.1167-52.5174.8000109.2Y282 D294 H298Y282-I296 CarbonylContact O-C 3.55Å; Y282-I296 WeakPolarHBondContact O-CA 3.48Å; D294-I296 PolarHBondContact O-N 3.21Å; I296-H298 VanDerWaalsContact CG2-CE1 3.42Å; I296-H298 WeakPolarHBondContact CG2-CE1 3.43Å
297F75.2Confident70.5Confident10 Ų1093.4 Ų93.44%0.04446%0.455CS..EExtended strand (participates in β ladder)trans-122.8114.3-178-175.8-111.3000110.5Y282 V284 K299 N303 L304 Y307Y282-F297 HydrophobicContact CD2-CD1 4.37Å; Y282-F297 PolarHBondContact N-O 2.93Å; Y282-F297 PolarHBondContact O-N 2.96Å; V284-F297 HydrophobicContact CG2-CB 4.13Å; F297-K299 VanDerWaalsContact CD1-O 3.23Å; F297-K299 WeakPolarHBondContact CD1-O 3.44Å; F297-K299 HydrophobicContact CE1-CB 3.88Å; F297-K299 WeakPolarHBondContact CE1-O 3.36Å; F297-K299 HydrophobicContact CE2-CB 4.15Å; F297-K299 HydrophobicContact CZ-CB 3.67Å; F297-N303 HydrophobicContact CZ-CB 3.93Å; F297-L304 HydrophobicContact CD1-CB 4.49Å; F297-L304 HydrophobicContact CD1-CD1 4.14Å; F297-L304 HydrophobicContact CE1-CB 3.98Å; F297-L304 HydrophobicContact CE1-CD1 4.3Å; F297-L304 HydrophobicContact CG-CD1 4.33Å; F297-L304 HydrophobicContact CZ-CB 4.45Å; F297-Y307 AromaticContact CD2-CD2 3.82Å; F297-Y307 HydrophobicContact CD2-CD2 3.82Å; F297-Y307 HydrophobicContact CD2-CE2 4.3Å; F297-Y307 AromaticContact CE2-CD2 3.74Å; F297-Y307 HydrophobicContact CE2-CD2 3.74Å
298H73.8Confident70.1Confident119 Ų11991.8 Ų91.855%0.55145%0.45SS*.  trans-95.79.3-173.3-58.2-73000114.9G280 S281 I296G280-H298 CarbonylContact O-C 3.56Å; G280-H298 VanDerWaalsContact O-C 3.23Å; G280-H298 WeakPolarHBondContact O-CA 3.48Å; S281-H298 PolarHBondContact OG-ND1 3.22Å; I296-H298 VanDerWaalsContact CG2-CE1 3.42Å; I296-H298 WeakPolarHBondContact CG2-CE1 3.43Å
299K70.8Confident69.6Low104 Ų10489.2 Ų89.245%0.45245%0.448SS..SBendtrans-106.4156.7177.2-64.5-179.4-179.1178.10109.9Y282 F297 N303Y282-K299 WeakPolarHBondContact CD2-O 3.46Å; Y282-K299 WeakPolarHBondContact CE2-O 3.43Å; F297-K299 VanDerWaalsContact CD1-O 3.23Å; F297-K299 WeakPolarHBondContact CD1-O 3.44Å; F297-K299 HydrophobicContact CE1-CB 3.88Å; F297-K299 WeakPolarHBondContact CE1-O 3.36Å; F297-K299 HydrophobicContact CE2-CB 4.15Å; F297-K299 HydrophobicContact CZ-CB 3.67Å; K299-N303 HydrophobicContact CB-CB 4.39Å
300G69.1Low69.2Low21 Ų2191.6 Ų91.622%0.21646%0.458CS..  trans-59146.1178.200000113.1H302 N303G300-H302 PolarHBondContact O-N 3.19Å; G300-N303 PolarHBondContact O-N 3.26Å
301L68.9Low69Low98 Ų9887.1 Ų87.151%0.51344%0.436SS..G310 helixtrans-52.9-26-171.9-66.8172.5000115.5Y282 N303 L304Y282-L301 HydrophobicContact CD1-CD2 3.67Å; Y282-L301 HydrophobicContact CD1-CG 4.17Å; Y282-L301 HydrophobicContact CD2-CD2 3.97Å; Y282-L301 HydrophobicContact CD2-CG 4.4Å; Y282-L301 HydrophobicContact CE1-CD1 3.96Å; Y282-L301 HydrophobicContact CE1-CD2 3.83Å; Y282-L301 HydrophobicContact CE1-CG 3.77Å; Y282-L301 HydrophobicContact CE2-CD2 4.11Å; Y282-L301 HydrophobicContact CE2-CG 4.03Å; Y282-L301 HydrophobicContact CG-CD2 3.75Å; Y282-L301 HydrophobicContact CG-CG 4.47Å; L301-N303 PolarHBondContact O-N 2.9Å; L301-L304 HydrophobicContact CD2-CD2 4.46Å; L301-L304 VanDerWaalsContact O-CB 3.29Å; L301-L304 WeakPolarHBondContact O-CB 3.45Å; L301-L304 PolarHBondContact O-N 3.33Å; L301-L304 VanDerWaalsContact O-N 3.07Å
302H66.3Low68.9Low81 Ų8188.4 Ų88.438%0.37545%0.448SS..G310 helixtrans-57.2-32.3173.849.7-93.7000112.6Q270 G272 G300Q270-H302 PolarHBondContact O-CD2 2.94Å; G272-H302 WeakPolarHBondContact CA-CE1 3.26Å; G300-H302 PolarHBondContact O-N 3.19Å
303N66.6Low69Low41 Ų4187.6 Ų87.622%0.21944%0.443CS..G310 helixtrans-83.8-8.8178.3-78.9-52000114.1F297 K299 G300 L301 R305 N306 Y307F297-N303 HydrophobicContact CZ-CB 3.93Å; K299-N303 HydrophobicContact CB-CB 4.39Å; G300-N303 PolarHBondContact O-N 3.26Å; L301-N303 PolarHBondContact O-N 2.9Å; N303-R305 VanDerWaalsContact C-N 3.32Å; N303-R305 PolarHBondContact O-N 2.87Å; N303-N306 PolarHBondContact O-N 2.9Å; N303-Y307 PolarHBondContact O-N 3.4Å
304L66.6Low68.2Low60 Ų6086.3 Ų86.331%0.31445%0.446SS..G310 helixtrans-65-34.9-177.2-17862.1000112.4V284 F297 L301 N306 Y307V284-L304 HydrophobicContact CG1-CD1 4.46Å; V284-L304 HydrophobicContact CG2-CD1 3.69Å; F297-L304 HydrophobicContact CD1-CB 4.49Å; F297-L304 HydrophobicContact CD1-CD1 4.14Å; F297-L304 HydrophobicContact CE1-CB 3.98Å; F297-L304 HydrophobicContact CE1-CD1 4.3Å; F297-L304 HydrophobicContact CG-CD1 4.33Å; F297-L304 HydrophobicContact CZ-CB 4.45Å; L301-L304 HydrophobicContact CD2-CD2 4.46Å; L301-L304 VanDerWaalsContact O-CB 3.29Å; L301-L304 WeakPolarHBondContact O-CB 3.45Å; L301-L304 PolarHBondContact O-N 3.33Å; L301-L304 VanDerWaalsContact O-N 3.07Å; L304-N306 PolarHBondContact O-N 3.14Å; L304-Y307 VanDerWaalsContact O-CB 3.28Å; L304-Y307 WeakPolarHBondContact O-CB 3.16Å; L304-Y307 PolarHBondContact O-N 3.02Å; L304-Y307 VanDerWaalsContact O-N 3.12Å
305R66.2Low67.6Low240 Ų24088.1 Ų88.191%0.90646%0.461SS*.G310 helixtrans-63.3-24.1177.3-70.8-174.6176.4-175.6-0.7113.8N303N303-R305 VanDerWaalsContact C-N 3.32Å; N303-R305 PolarHBondContact O-N 2.87Å
306N63.3Low67Low97 Ų9797 Ų9752%0.51950%0.499SS..G310 helixtrans-104.616.2179.4-64.7-7000111.6N303 L304 S308N303-N306 PolarHBondContact O-N 2.9Å; L304-N306 PolarHBondContact O-N 3.14Å; N306-S308 PolarHBondContact O-N 3.12Å
307Y67.6Low66.4Low77 Ų77102 Ų10230%0.30252%0.517SS..  trans-63.2125.1-178.8176.7-99.7000111.7L287 L295 F297 N303 L304 L311L287-Y307 HydrophobicContact CD2-CD1 4.2Å; L287-Y307 HydrophobicContact CD2-CE1 3.82Å; L295-Y307 WeakPolarHBondContact CD1-OH 3.41Å; L295-Y307 HydrophobicContact CD2-CD1 3.9Å; L295-Y307 HydrophobicContact CD2-CD2 4.22Å; L295-Y307 HydrophobicContact CD2-CE1 3.39Å; L295-Y307 HydrophobicContact CD2-CE2 3.75Å; L295-Y307 HydrophobicContact CD2-CG 4.29Å; F297-Y307 AromaticContact CD2-CD2 3.82Å; F297-Y307 HydrophobicContact CD2-CD2 3.82Å; F297-Y307 HydrophobicContact CD2-CE2 4.3Å; F297-Y307 AromaticContact CE2-CD2 3.74Å; F297-Y307 HydrophobicContact CE2-CD2 3.74Å; N303-Y307 PolarHBondContact O-N 3.4Å; L304-Y307 VanDerWaalsContact O-CB 3.28Å; L304-Y307 WeakPolarHBondContact O-CB 3.16Å; L304-Y307 PolarHBondContact O-N 3.02Å; L304-Y307 VanDerWaalsContact O-N 3.12Å; Y307-L311 HydrophobicContact CD2-CD1 4.27Å
308S66.2Low66Low45 Ų45105.2 Ų105.232%0.31554%0.537SS..  trans-125.2146.7162165.80000108.4N306 D310 L311N306-S308 PolarHBondContact O-N 3.12Å; S308-D310 PolarHBondContact O-N 3.07Å; S308-D310 VanDerWaalsContact O-N 3.09Å; S308-D310 PolarHBondContact OG-N 3.05Å; S308-D310 VanDerWaalsContact OG-N 3.08Å; S308-L311 WeakPolarHBondContact O-CB 3.41Å; S308-L311 WeakPolarHBondContact O-CG 3.33Å; S308-L311 PolarHBondContact O-N 3.15Å
309S64.6Low65.6Low76 Ų76103.2 Ų103.253%0.53154%0.535SS..THydrogen-bonded Turntrans-63.6-5.8171.151.50000113.8K313S309-K313 WeakPolarHBondContact O-CE 3.25Å; S309-K313 PolarHBondContact O-NZ 2.81Å
310D62.1Low65.1Low94 Ų94107.3 Ų107.350%0.50355%0.553SS.*THydrogen-bonded Turntrans-96.5-5.3173.4-57.5-46.3000114S308 G312 K313S308-D310 PolarHBondContact O-N 3.07Å; S308-D310 VanDerWaalsContact O-N 3.09Å; S308-D310 PolarHBondContact OG-N 3.05Å; S308-D310 VanDerWaalsContact OG-N 3.08Å; D310-G312 PolarHBondContact O-N 3.25Å; D310-K313 HydrophobicContact CB-CD 4.33Å; D310-K313 PolarHBondContact O-N 2.98Å; D310-K313 WeakPolarHBondContact OD1-CD 3.4Å; D310-K313 IonicContact OD1-NZ 3.94Å; D310-K313 PolarHBondContact OD1-NZ 2.82Å
311L63.4Low64.5Low87 Ų87116.9 Ų116.946%0.45558%0.582SS.*THydrogen-bonded Turntrans-64.1100.8-179.5-73.2179.5000112.3Y307 S308Y307-L311 HydrophobicContact CD2-CD1 4.27Å; S308-L311 WeakPolarHBondContact O-CB 3.41Å; S308-L311 WeakPolarHBondContact O-CG 3.33Å; S308-L311 PolarHBondContact O-N 3.15Å
312G59.8Low63.9Low79 Ų79121 Ų12181%0.81459%0.591SS**THydrogen-bonded Turntrans108-3.6-179.200000114D310D310-G312 PolarHBondContact O-N 3.25Å
313K71.5Confident63.8Low120 Ų120121.9 Ų121.952%0.52260%0.595SS.*PPolyproline II helixtrans-70.2135.8163.4-62.6-178.4-169.6156.70108.8S309 D310S309-K313 WeakPolarHBondContact O-CE 3.25Å; S309-K313 PolarHBondContact O-NZ 2.81Å; D310-K313 HydrophobicContact CB-CD 4.33Å; D310-K313 PolarHBondContact O-N 2.98Å; D310-K313 WeakPolarHBondContact OD1-CD 3.4Å; D310-K313 IonicContact OD1-NZ 3.94Å; D310-K313 PolarHBondContact OD1-NZ 2.82Å
314Q58.6Low63.6Low176 Ų176122.8 Ų122.882%0.82261%0.608SS**PPolyproline II helixtrans-59.9129.1166.1-75.5-74.7-3.400108.7K316Q314-K316 PolarHBondContact O-N 2.88Å
315P64.6Low63.4Low109 Ų109121.2 Ų121.271%0.70860%0.604SS**PPolyproline II helixtrans-63.5126.9174.426.6-32.8000108.9K317P315-K317 PolarHBondContact O-N 2.93Å; P315-K317 VanDerWaalsContact O-N 3.09Å
316K63.9Low63.2Low203 Ų203119.9 Ų119.988%0.88360%0.599SS**PPolyproline II helixtrans-57.7118.8176.1-70.4-170.1176.8-172.50108.6Q314 V318Q314-K316 PolarHBondContact O-N 2.88Å; K316-V318 PolarHBondContact O-N 3.12Å; K316-V318 VanDerWaalsContact O-N 3.13Å
317K64.6Low62.9Low204 Ų204120.6 Ų120.689%0.88760%0.599SS**PPolyproline II helixtrans-55.2119.8175.5-74.7-177177.8177.40108.7P315 P319P315-K317 PolarHBondContact O-N 2.93Å; P315-K317 VanDerWaalsContact O-N 3.09Å; K317-P319 WeakPolarHBondContact O-CD 3.36Å
318V68.8Low62.3Low78 Ų78123.6 Ų123.647%0.47362%0.62SS.*PPolyproline II helixtrans-67.4121.4178.6-179.20000108.5K316 R322 Q323K316-V318 PolarHBondContact O-N 3.12Å; K316-V318 VanDerWaalsContact O-N 3.13Å; V318-R322 HydrophobicContact CG1-CB 3.71Å; V318-R322 VanDerWaalsContact CG1-O 3.24Å; V318-R322 WeakPolarHBondContact CG1-O 3.29Å; V318-Q323 HydrophobicContact CB-CG 4.35Å; V318-Q323 HydrophobicContact CG1-CG 4.1Å; V318-Q323 PolarHBondContact O-NE2 3.02Å
319P65.2Low61.6Low78 Ų78124.8 Ų124.851%0.50663%0.628SS.*PPolyproline II helixtrans-56146.4178.5-25.334.5000111.2K317 R321 R322 Q323K317-P319 WeakPolarHBondContact O-CD 3.36Å; P319-R321 PolarHBondContact O-N 3.2Å; P319-R321 VanDerWaalsContact O-N 3.09Å; P319-R322 WeakPolarHBondContact O-CA 3.37Å; P319-R322 PolarHBondContact O-N 3.47Å; P319-Q323 PolarHBondContact O-N 3.24Å
320K60Low61.1Low190 Ų190127.1 Ų127.183%0.82663%0.634SS**G310 helixtrans-50.5-41.2-175.8-68.1-178.3179.8176.80112.9R322 Q323K320-R322 PolarHBondContact O-N 3.4Å; K320-R322 VanDerWaalsContact O-N 3.11Å; K320-Q323 PolarHBondContact O-N 3.29Å
321R56.1Low61Low221 Ų221128.6 Ų128.683%0.83464%0.637SS**G310 helixtrans-64.4-8.4176.3-165.2176.9-179.9-160.7-0.3115.1P319P319-R321 PolarHBondContact O-N 3.2Å; P319-R321 VanDerWaalsContact O-N 3.09Å
322R56.5Low61.1Low186 Ų186126.3 Ų126.370%0.70262%0.623SS**G310 helixtrans-120.68178.2-62.5-173.2-176.8-1731.7113V318 P319 K320V318-R322 HydrophobicContact CG1-CB 3.71Å; V318-R322 VanDerWaalsContact CG1-O 3.24Å; V318-R322 WeakPolarHBondContact CG1-O 3.29Å; P319-R322 WeakPolarHBondContact O-CA 3.37Å; P319-R322 PolarHBondContact O-N 3.47Å; K320-R322 PolarHBondContact O-N 3.4Å; K320-R322 VanDerWaalsContact O-N 3.11Å
323Q63.2Low61.7Low98 Ų98126.4 Ų126.446%0.45860%0.599SS.*SBendtrans-78.5146.3173.4-66.3176.79.900109.7V318 P319 K320V318-Q323 HydrophobicContact CB-CG 4.35Å; V318-Q323 HydrophobicContact CG1-CG 4.1Å; V318-Q323 PolarHBondContact O-NE2 3.02Å; P319-Q323 PolarHBondContact O-N 3.24Å; K320-Q323 PolarHBondContact O-N 3.29Å
324A63Low62Low60 Ų60121 Ų12150%0.49658%0.575SS.*PPolyproline II helixtrans-73.5153.5176.300000111.2R326 E491A324-R326 PolarHBondContact O-N 2.93Å; A324-E491 VanDerWaalsContact CA-O 3.27Å; A324-E491 WeakPolarHBondContact CA-O 3.33Å; A324-E491 HydrophobicContact CB-CG 4.12Å
325A63.4Low63.2Low28 Ų28113 Ų11323%0.23154%0.54CS..PPolyproline II helixtrans-58.9135.9174.800000111.1E491 P495A325-E491 PolarHBondContact N-O 3.49Å; A325-P495 HydrophobicContact CB-CB 4.33Å
326R60.4Low64.1Low211 Ų211110.7 Ų110.780%0.79652%0.521SS*.PPolyproline II helixtrans-72.3141.9-179-68.1-175.7177.2-163.8-2.8111A324A324-R326 PolarHBondContact O-N 2.93Å
327E58.3Low65.1Low112 Ų112104.4 Ų104.452%0.52350%0.497SS..PPolyproline II helixtrans-72135.5166.4-69.3165.6-152.800109.2R496E327-R496 HydrophobicContact CG-CB 4.19Å; E327-R496 WeakPolarHBondContact OE1-CB 3.39Å; E327-R496 WeakPolarHBondContact OE1-CD 3.41Å
328L53.7Low66.2Low141 Ų14194.9 Ų94.974%0.73846%0.456SS*.  trans-105-14.9-177.4-66.3172.8000113.2I330L328-I330 PolarHBondContact O-N 3.03Å
329S52Low67.1Low69 Ų6992.6 Ų92.648%0.48344%0.439SS..  trans-89.894.1-172.155.50000112.1
330I55Low68.2Low126 Ų12691.7 Ų91.765%0.64643%0.43SS*.  trans-99.395.6154.7-60.3172.8000105.8L173 L328L173-I330 HydrophobicContact CD1-CB 3.94Å; L173-I330 HydrophobicContact CD1-CD1 3.79Å; L173-I330 HydrophobicContact CD1-CG1 4.44Å; L173-I330 HydrophobicContact CD1-CG2 3.98Å; L328-I330 PolarHBondContact O-N 3.03Å
331Q59.7Low69.7Low124 Ų12483.3 Ų83.358%0.57939%0.393SS*.PPolyproline II helixtrans-80121.3176-66-178.4-75.800108.6
332R65.7Low71.4Confident39 Ų3972.8 Ų72.815%0.14735%0.353CS..PPolyproline II helixtrans-102.8147.9176.6-171.6-178.7178-167.7-7.6109.5E176 I179 D180 D182E176-R332 IonicContact OE1-NH1 2.66Å; E176-R332 IonicContact OE2-CZ 2.67Å; E176-R332 IonicContact OE2-NH1 3.79Å; E176-R332 PolarHBondContact OE2-NH1 3.2Å; E176-R332 IonicContact OE2-NH2 3.8Å; I179-R332 PolarHBondContact O-NE 2.99Å; I179-R332 PolarHBondContact O-NH2 3.31Å; D180-R332 WeakPolarHBondContact OD1-CA 3.34Å; D180-R332 VanDerWaalsContact OD1-CG 3.3Å; D180-R332 WeakPolarHBondContact OD1-CG 3.42Å; D182-R332 PolarHBondContact O-NH2 3Å
333R70.6Confident73.1Confident82 Ų8266.6 Ų66.631%0.30933%0.33SS..PPolyproline II helixtrans-84.5117168.9-60.3-177.2-178.4-177.23.3109.7D180 D181 D249D180-R333 HydrophobicContact CB-CB 4.25Å; D180-R333 PolarHBondContact OD1-N 3.3Å; D181-R333 WeakPolarHBondContact CA-O 3.31Å; D181-R333 PolarHBondContact N-O 3.26Å; D249-R333 VanDerWaalsContact CG-NH1 3.31Å; D249-R333 IonicContact OD1-CZ 2.68Å; D249-R333 IonicContact OD1-NH1 2.69Å; D249-R333 PolarHBondContact OD1-NH1 2.87Å; D249-R333 IonicContact OD1-NH2 3.5Å; D249-R333 PolarHBondContact OD1-NH2 3.49Å; D249-R333 IonicContact OD2-NH1 3.79Å; D249-R333 PolarHBondContact OD2-NH1 3.41Å
334S79.7Confident74.4Confident5 Ų565.6 Ų65.64%0.03533%0.328CS..PPolyproline II helixtrans-70.4163.9172.6-71.60000112.9D187 Q229 R339D187-S334 VanDerWaalsContact OD1-CB 3.24Å; D187-S334 WeakPolarHBondContact OD1-CB 3.29Å; D187-S334 PolarHBondContact OD1-OG 3.15Å; D187-S334 VanDerWaalsContact OD2-CA 3.29Å; D187-S334 WeakPolarHBondContact OD2-CA 3.43Å; D187-S334 VanDerWaalsContact OD2-CB 3.31Å; D187-S334 WeakPolarHBondContact OD2-CB 3.38Å; Q229-S334 PolarHBondContact NE2-OG 3.41Å; S334-R339 PolarHBondContact O-NE 2.96Å
335A82.6Confident75.9Confident9 Ų963.1 Ų63.17%0.07431%0.306CS..PPolyproline II helixtrans-57.4143.3176.300000113.2A183 D187 N337 V338 R339A183-A335 HydrophobicContact CB-CB 4.49Å; D187-A335 PolarHBondContact OD2-N 2.85Å; A335-N337 VanDerWaalsContact C-N 3.35Å; A335-N337 PolarHBondContact O-N 3.23Å; A335-V338 PolarHBondContact O-N 2.99Å; A335-V338 VanDerWaalsContact O-N 3.15Å; A335-R339 PolarHBondContact O-N 3.07Å
336L83.5Confident77.3Confident61 Ų6161.8 Ų61.832%0.31930%0.295SS..Hα-helixtrans-61.5-35-171.5-179.961.8000114.2I237 L242 R339 L340I237-L336 HydrophobicContact CG2-CD1 4.02Å; L242-L336 HydrophobicContact CD1-CD2 4.43Å; L242-L336 HydrophobicContact CD2-CD1 4.29Å; L242-L336 HydrophobicContact CD2-CD2 4.09Å; L336-R339 PolarHBondContact O-N 3.35Å; L336-L340 HydrophobicContact CG-CD1 4.4Å; L336-L340 WeakPolarHBondContact O-CG 3.42Å; L336-L340 PolarHBondContact O-N 2.69Å
337N85.4Confident78.9Confident71 Ų7153.1 Ų53.138%0.3827%0.267SS..Hα-helixtrans-67.6-41.2176.662.9-56.7000111.7W191 A335 R339 L340 F341W191-N337 HydrophobicContact CH2-CB 4.32Å; W191-N337 HydrophobicContact CZ3-CB 4.09Å; W191-N337 WeakPolarHBondContact CZ3-ND2 3.37Å; A335-N337 VanDerWaalsContact C-N 3.35Å; A335-N337 PolarHBondContact O-N 3.23Å; N337-R339 VanDerWaalsContact C-N 3.34Å; N337-L340 PolarHBondContact O-N 2.88Å; N337-F341 PolarHBondContact O-N 2.81Å
338V87.9Confident80.6Confident3 Ų352.4 Ų52.42%0.01826%0.263CS..Hα-helixtrans-64.6-41.2174.4177.50000110.2D187 L190 W191 A335 L340 F341 L342D187-V338 HydrophobicContact CB-CG2 4.13Å; L190-V338 HydrophobicContact CB-CG1 3.92Å; L190-V338 HydrophobicContact CD1-CG1 3.9Å; W191-V338 HydrophobicContact CB-CG2 4.4Å; W191-V338 HydrophobicContact CE3-CG2 4.21Å; A335-V338 PolarHBondContact O-N 2.99Å; A335-V338 VanDerWaalsContact O-N 3.15Å; V338-L340 VanDerWaalsContact C-N 3.33Å; V338-L340 PolarHBondContact O-N 3.37Å; V338-F341 PolarHBondContact O-N 3.32Å; V338-L342 HydrophobicContact CG1-CD1 4.03Å; V338-L342 HydrophobicContact CG1-CG 4.27Å; V338-L342 WeakPolarHBondContact O-CB 3.02Å; V338-L342 VanDerWaalsContact O-CG 3.29Å; V338-L342 WeakPolarHBondContact O-CG 3.45Å; V338-L342 PolarHBondContact O-N 2.84Å
339R87.3Confident82.5Confident30 Ų3045.7 Ų45.711%0.11323%0.228CC..Hα-helixtrans-66.2-30175.2-68.2-167.5-81.2138.2-13.2113.9D181 L234 I237 S334 A335 L336 N337 R343D181-R339 IonicContact OD1-CZ 2.86Å; D181-R339 IonicContact OD1-NH2 3.07Å; D181-R339 PolarHBondContact OD1-NH2 3.49Å; L234-R339 HydrophobicContact CD1-CB 4.01Å; L234-R339 HydrophobicContact CD1-CG 4.36Å; L234-R339 VanDerWaalsContact CD1-O 3.23Å; L234-R339 WeakPolarHBondContact CD1-O 3.5Å; I237-R339 HydrophobicContact CD1-CB 3.52Å; I237-R339 HydrophobicContact CD1-CG 4.37Å; S334-R339 PolarHBondContact O-NE 2.96Å; A335-R339 PolarHBondContact O-N 3.07Å; L336-R339 PolarHBondContact O-N 3.35Å; N337-R339 VanDerWaalsContact C-N 3.34Å; R339-R343 WeakPolarHBondContact O-CB 3.27Å; R339-R343 PolarHBondContact O-N 3.49Å; R339-R343 VanDerWaalsContact O-N 3.11Å
340L87.9Confident84.5Confident60 Ų6042.5 Ų42.531%0.31421%0.206SC..Hα-helixtrans-69.1-50.7171.5-78.4165.2000111.3I237 L336 N337 V338 L342 R343 D344I237-L340 HydrophobicContact CG2-CD2 3.62Å; I237-L340 HydrophobicContact CG2-CG 4.09Å; L336-L340 HydrophobicContact CG-CD1 4.4Å; L336-L340 WeakPolarHBondContact O-CG 3.42Å; L336-L340 PolarHBondContact O-N 2.69Å; N337-L340 PolarHBondContact O-N 2.88Å; V338-L340 VanDerWaalsContact C-N 3.33Å; V338-L340 PolarHBondContact O-N 3.37Å; L340-L342 PolarHBondContact O-N 3.07Å; L340-R343 WeakPolarHBondContact O-CB 3.29Å; L340-R343 PolarHBondContact O-N 2.74Å; L340-D344 PolarHBondContact O-N 3.19Å
341F91.4Very high86.3Confident13 Ų1342 Ų426%0.05720%0.201CC..Hα-helixtrans-52-52173.3150.6-114.4000111.8L190 W191 H194 D199 M225 N337 V338 R343 D344 F345L190-F341 HydrophobicContact CB-CE1 4.26Å; W191-F341 HydrophobicContact CZ3-CB 4.46Å; H194-F341 HydrophobicContact CB-CD1 4.36Å; H194-F341 HydrophobicContact CB-CD2 3.88Å; H194-F341 HydrophobicContact CB-CE1 4.27Å; H194-F341 HydrophobicContact CB-CE2 3.81Å; H194-F341 HydrophobicContact CB-CG 4.17Å; H194-F341 HydrophobicContact CB-CZ 4Å; H194-F341 AromaticContact CE1-CD2 3.96Å; H194-F341 AromaticContact CG-CD2 3.55Å; H194-F341 AromaticContact CG-CE2 3.87Å; H194-F341 AromaticContact CG-CG 3.99Å; H194-F341 AromaticContact ND1-CD2 3.45Å; H194-F341 WeakPolarHBondContact ND1-CD2 3.35Å; H194-F341 AromaticContact ND1-CE2 3.7Å; D199-F341 HydrophobicContact CB-CE2 4.1Å; D199-F341 HydrophobicContact CB-CZ 4.38Å; D199-F341 WeakPolarHBondContact OD2-CE2 3.47Å; M225-F341 HydrophobicContact CE-CZ 3.97Å; N337-F341 PolarHBondContact O-N 2.81Å; V338-F341 PolarHBondContact O-N 3.32Å; F341-R343 VanDerWaalsContact C-N 3.32Å; F341-R343 PolarHBondContact O-N 2.72Å; F341-D344 PolarHBondContact O-N 2.86Å; F341-D344 VanDerWaalsContact O-N 3.09Å; F341-F345 HydrophobicContact CE2-CB 4.15Å; F341-F345 HydrophobicContact CE2-CD2 4.41Å; F341-F345 PolarHBondContact O-N 3.18Å
342L92Very high87.8Confident0 Ų040.4 Ų40.40%020%0.196CC..Hα-helixtrans-62.2-36180-73.4178.8000112.9L190 F226 Q229 L234 V338 L340 D344 C346L190-L342 HydrophobicContact CD1-CD1 4.14Å; L190-L342 HydrophobicContact CD2-CD2 4.43Å; F226-L342 HydrophobicContact CD1-CB 4.39Å; F226-L342 HydrophobicContact CD1-CD2 4.23Å; F226-L342 HydrophobicContact CE1-CB 3.69Å; F226-L342 HydrophobicContact CE1-CD2 3.84Å; F226-L342 HydrophobicContact CE1-CG 4.24Å; F226-L342 VanDerWaalsContact CE1-O 3.29Å; F226-L342 WeakPolarHBondContact CE1-O 3.39Å; F226-L342 HydrophobicContact CE2-CD2 4.26Å; F226-L342 HydrophobicContact CZ-CB 4.22Å; F226-L342 HydrophobicContact CZ-CD2 3.83Å; F226-L342 WeakPolarHBondContact CZ-O 3.28Å; Q229-L342 HydrophobicContact CG-CD1 3.7Å; L234-L342 HydrophobicContact CD1-CB 4.08Å; L234-L342 HydrophobicContact CD2-CB 4.21Å; V338-L342 HydrophobicContact CG1-CD1 4.03Å; V338-L342 HydrophobicContact CG1-CG 4.27Å; V338-L342 WeakPolarHBondContact O-CB 3.02Å; V338-L342 VanDerWaalsContact O-CG 3.29Å; V338-L342 WeakPolarHBondContact O-CG 3.45Å; V338-L342 PolarHBondContact O-N 2.84Å; L340-L342 PolarHBondContact O-N 3.07Å; L342-D344 VanDerWaalsContact C-N 3.34Å; L342-C346 WeakPolarHBondContact O-CB 3.44Å; L342-C346 PolarHBondContact O-N 2.95Å
343R91.3Very high89.1Confident56 Ų5638.7 Ų38.721%0.21119%0.19CC..Hα-helixtrans-63.1-42.3173.6179.8-155.767.3-174.4-5.1111.1L234 I237 R339 L340 F341 C346 S347 F388L234-R343 HydrophobicContact CD1-CB 4.46Å; L234-R343 HydrophobicContact CG-CB 4.18Å; I237-R343 WeakPolarHBondContact O-CD 3.49Å; I237-R343 PolarHBondContact O-NH1 2.94Å; R339-R343 WeakPolarHBondContact O-CB 3.27Å; R339-R343 PolarHBondContact O-N 3.49Å; R339-R343 VanDerWaalsContact O-N 3.11Å; L340-R343 WeakPolarHBondContact O-CB 3.29Å; L340-R343 PolarHBondContact O-N 2.74Å; F341-R343 VanDerWaalsContact C-N 3.32Å; F341-R343 PolarHBondContact O-N 2.72Å; R343-C346 PolarHBondContact O-N 3.1Å; R343-S347 WeakPolarHBondContact O-CB 3.03Å; R343-S347 PolarHBondContact O-N 3.18Å; R343-S347 PolarHBondContact O-OG 3.08Å; R343-F388 HydrophobicContact CG-CE2 4.37Å; R343-F388 HydrophobicContact CG-CZ 4.02Å
344D91.4Very high90.3Very high77 Ų7734.8 Ų34.841%0.41218%0.175SC..Hα-helixtrans-73.9-46.8-174.7-65.4-17.9000110.6L340 F341 L342 C346 S347 E348L340-D344 PolarHBondContact O-N 3.19Å; F341-D344 PolarHBondContact O-N 2.86Å; F341-D344 VanDerWaalsContact O-N 3.09Å; L342-D344 VanDerWaalsContact C-N 3.34Å; D344-C346 VanDerWaalsContact C-N 3.34Å; D344-C346 PolarHBondContact O-N 3.49Å; D344-S347 WeakPolarHBondContact O-CB 3.4Å; D344-S347 PolarHBondContact O-N 3.1Å; D344-E348 PolarHBondContact O-N 3.39Å
345F94.2Very high90.9Very high8 Ų836.9 Ų36.94%0.03519%0.186CC..Hα-helixtrans-53.5-47.6168.3-177.4-82.6000112.2D199 L203 V222 M225 F226 F341 S347 E348 F349D199-F345 HydrophobicContact CB-CD2 3.77Å; D199-F345 HydrophobicContact CB-CE2 3.77Å; L203-F345 HydrophobicContact CD1-CD2 4.01Å; L203-F345 HydrophobicContact CD1-CE2 4.03Å; L203-F345 HydrophobicContact CD2-CD2 4.26Å; L203-F345 HydrophobicContact CD2-CE1 4.36Å; L203-F345 HydrophobicContact CD2-CE2 3.87Å; L203-F345 HydrophobicContact CD2-CZ 3.93Å; L203-F345 HydrophobicContact CG-CD2 4.12Å; L203-F345 HydrophobicContact CG-CE2 3.64Å; L203-F345 HydrophobicContact CG-CZ 4.13Å; V222-F345 HydrophobicContact CG1-CE1 4.31Å; V222-F345 HydrophobicContact CG2-CE1 4.21Å; V222-F345 HydrophobicContact CG2-CZ 4.09Å; M225-F345 HydrophobicContact CE-CE1 4.5Å; M225-F345 HydrophobicContact CE-CE2 4.37Å; M225-F345 HydrophobicContact CE-CZ 4.32Å; F226-F345 AromaticContact CE2-CD1 3.63Å; F226-F345 HydrophobicContact CE2-CD1 3.63Å; F226-F345 AromaticContact CE2-CE1 3.92Å; F226-F345 HydrophobicContact CE2-CE1 3.92Å; F226-F345 AromaticContact CZ-CD1 3.72Å; F226-F345 HydrophobicContact CZ-CD1 3.72Å; F226-F345 HydrophobicContact CZ-CE1 4.46Å; F341-F345 HydrophobicContact CE2-CB 4.15Å; F341-F345 HydrophobicContact CE2-CD2 4.41Å; F341-F345 PolarHBondContact O-N 3.18Å; F345-S347 PolarHBondContact O-N 2.86Å; F345-E348 PolarHBondContact O-N 2.79Å; F345-F349 HydrophobicContact CD1-CB 4.4Å; F345-F349 HydrophobicContact CE1-CB 4.27Å; F345-F349 HydrophobicContact CE1-CG 4.46Å; F345-F349 WeakPolarHBondContact O-CB 3.48Å; F345-F349 PolarHBondContact O-N 3.21Å
346C94.3Very high91.3Very high0 Ų042 Ų420%020%0.203CC..Hα-helixtrans-64.2-27.9179.9-172.10000112.7F226 L342 R343 D344 L350 F385 F388F226-C346 HydrophobicContact CE1-CB 3.88Å; F226-C346 HydrophobicContact CZ-CB 3.78Å; L342-C346 WeakPolarHBondContact O-CB 3.44Å; L342-C346 PolarHBondContact O-N 2.95Å; R343-C346 PolarHBondContact O-N 3.1Å; D344-C346 VanDerWaalsContact C-N 3.34Å; D344-C346 PolarHBondContact O-N 3.49Å; C346-L350 WeakPolarHBondContact O-CB 3.21Å; C346-L350 WeakPolarHBondContact O-CD1 3.27Å; C346-L350 WeakPolarHBondContact O-CG 3.42Å; C346-L350 PolarHBondContact O-N 2.86Å; C346-F385 VanDerWaalsContact SG-CD1 3.56Å; C346-F385 VanDerWaalsContact SG-CE1 3.6Å; C346-F388 HydrophobicContact CB-CD1 4.47Å; C346-F388 HydrophobicContact CB-CE1 4.13Å; C346-F388 HydrophobicContact CB-CE2 4.22Å; C346-F388 HydrophobicContact CB-CZ 3.98Å; C346-F388 WeakPolarHBondContact SG-CD1 3.49Å; C346-F388 VanDerWaalsContact SG-CG 3.51Å
347S92.3Very high91.9Very high30 Ų3039.3 Ų39.321%0.2119%0.19CC..Hα-helixtrans-75.8-45.3178.1-57.40000111.1R343 D344 F345 L350 E351R343-S347 WeakPolarHBondContact O-CB 3.03Å; R343-S347 PolarHBondContact O-N 3.18Å; R343-S347 PolarHBondContact O-OG 3.08Å; D344-S347 WeakPolarHBondContact O-CB 3.4Å; D344-S347 PolarHBondContact O-N 3.1Å; F345-S347 PolarHBondContact O-N 2.86Å; S347-L350 PolarHBondContact O-N 3.23Å; S347-E351 PolarHBondContact O-N 3.34Å; S347-E351 VanDerWaalsContact O-N 3.15Å
348E93.9Very high92.3Very high96 Ų9636 Ų3645%0.44917%0.171SC..Hα-helixtrans-67-41.5176.1-175.8159.6-173.600112.3L203 D344 F345 L350 E351 N352L203-E348 HydrophobicContact CD1-CB 4.44Å; L203-E348 HydrophobicContact CD1-CG 4.1Å; D344-E348 PolarHBondContact O-N 3.39Å; F345-E348 PolarHBondContact O-N 2.79Å; E348-L350 VanDerWaalsContact C-N 3.28Å; E348-L350 PolarHBondContact O-N 3.29Å; E348-E351 PolarHBondContact O-N 3.42Å; E348-N352 WeakPolarHBondContact CG-ND2 3.09Å; E348-N352 WeakPolarHBondContact O-CB 3.45Å; E348-N352 PolarHBondContact O-N 3.3Å
349F95Very high92.4Very high1 Ų136.9 Ų36.90%0.00418%0.181CC..Hα-helixtrans-58.2-37.6174.3179.3-105.5000112.6L203 A206 V222 F345 C353 Y354 L357 F385L203-F349 HydrophobicContact CD2-CB 3.82Å; L203-F349 HydrophobicContact CD2-CD2 4.19Å; A206-F349 HydrophobicContact CB-CE2 4.18Å; V222-F349 HydrophobicContact CG1-CE1 4.37Å; V222-F349 HydrophobicContact CG1-CE2 4.36Å; V222-F349 HydrophobicContact CG1-CZ 4.12Å; F345-F349 HydrophobicContact CD1-CB 4.4Å; F345-F349 HydrophobicContact CE1-CB 4.27Å; F345-F349 HydrophobicContact CE1-CG 4.46Å; F345-F349 WeakPolarHBondContact O-CB 3.48Å; F345-F349 PolarHBondContact O-N 3.21Å; F349-C353 HydrophobicContact CD2-CB 3.53Å; F349-C353 HydrophobicContact CE2-CB 3.86Å; F349-C353 HydrophobicContact CG-CB 4.27Å; F349-C353 CarbonylContact O-C 3.58Å; F349-C353 WeakPolarHBondContact O-CA 3.38Å; F349-C353 WeakPolarHBondContact O-CB 3.3Å; F349-C353 PolarHBondContact O-N 3.2Å; F349-Y354 AromaticContact CE1-CD2 3.9Å; F349-Y354 HydrophobicContact CE1-CD2 3.9Å; F349-Y354 PolarHBondContact O-N 3.02Å; F349-L357 HydrophobicContact CE2-CD2 3.82Å; F349-L357 HydrophobicContact CZ-CD2 3.79Å; F349-F385 AromaticContact CD1-CD1 3.86Å; F349-F385 HydrophobicContact CD1-CD1 3.86Å; F349-F385 AromaticContact CD1-CE1 3.63Å; F349-F385 HydrophobicContact CD1-CE1 3.63Å; F349-F385 HydrophobicContact CD1-CE2 4.31Å; F349-F385 HydrophobicContact CD1-CG 4.33Å; F349-F385 AromaticContact CD1-CZ 3.89Å; F349-F385 HydrophobicContact CD1-CZ 3.89Å; F349-F385 AromaticContact CE1-CD1 3.94Å; F349-F385 HydrophobicContact CE1-CD1 3.94Å; F349-F385 AromaticContact CE1-CD2 3.77Å; F349-F385 HydrophobicContact CE1-CD2 3.77Å; F349-F385 AromaticContact CE1-CE1 3.76Å; F349-F385 HydrophobicContact CE1-CE1 3.76Å; F349-F385 AromaticContact CE1-CE2 3.57Å; F349-F385 HydrophobicContact CE1-CE2 3.57Å; F349-F385 AromaticContact CE1-CG 3.98Å; F349-F385 HydrophobicContact CE1-CG 3.98Å; F349-F385 AromaticContact CE1-CZ 3.59Å; F349-F385 HydrophobicContact CE1-CZ 3.59Å; F349-F385 HydrophobicContact CZ-CE2 4.29Å; F349-F385 HydrophobicContact CZ-CZ 4.44Å
350L93.9Very high92.6Very high2 Ų235.9 Ų35.91%0.0118%0.179CC..Hα-helixtrans-72.5-38.9176-84.8167.5000113.1C346 S347 E348 Y354 F385 F388 N389 F394 L398 V399C346-L350 WeakPolarHBondContact O-CB 3.21Å; C346-L350 WeakPolarHBondContact O-CD1 3.27Å; C346-L350 WeakPolarHBondContact O-CG 3.42Å; C346-L350 PolarHBondContact O-N 2.86Å; S347-L350 PolarHBondContact O-N 3.23Å; E348-L350 VanDerWaalsContact C-N 3.28Å; E348-L350 PolarHBondContact O-N 3.29Å; L350-Y354 HydrophobicContact CD2-CD1 4.36Å; L350-Y354 HydrophobicContact CD2-CD2 4.32Å; L350-Y354 HydrophobicContact CD2-CG 4.01Å; L350-F385 HydrophobicContact CD2-CB 4.26Å; L350-F388 HydrophobicContact CD1-CD1 3.58Å; L350-F388 HydrophobicContact CD1-CE1 4.18Å; L350-N389 HydrophobicContact CD1-CB 3.91Å; L350-N389 HydrophobicContact CD2-CB 4.23Å; L350-F394 HydrophobicContact CD1-CD2 4.16Å; L350-F394 HydrophobicContact CD1-CE2 4.34Å; L350-L398 HydrophobicContact CB-CD1 4.29Å; L350-V399 HydrophobicContact CD2-CG1 3.68Å
351E92.3Very high92.9Very high114 Ų11433 Ų3353%0.53316%0.164SC..Hα-helixtrans-71.1-42179.1-163.576-158.200111.6S347 E348 L398S347-E351 PolarHBondContact O-N 3.34Å; S347-E351 VanDerWaalsContact O-N 3.15Å; E348-E351 PolarHBondContact O-N 3.42Å; E351-L398 WeakPolarHBondContact OE2-CD1 3.47Å
352N91.6Very high92.8Very high92 Ų9233.1 Ų33.149%0.49217%0.165SC..Hα-helixtrans-105.9-32.3-167.4-66.9-27.8000115.5E348E348-N352 WeakPolarHBondContact CG-ND2 3.09Å; E348-N352 WeakPolarHBondContact O-CB 3.45Å; E348-N352 PolarHBondContact O-N 3.3Å
353C93.2Very high92.6Very high2 Ų235.9 Ų35.91%0.01418%0.179CC..THydrogen-bonded Turntrans-116.4-43.5-161.2-52.80000114L203 A206 F349 N355 R356 L357L203-C353 PolarHBondContact O-SG 3.04Å; A206-C353 HydrophobicContact CB-CB 3.72Å; F349-C353 HydrophobicContact CD2-CB 3.53Å; F349-C353 HydrophobicContact CE2-CB 3.86Å; F349-C353 HydrophobicContact CG-CB 4.27Å; F349-C353 CarbonylContact O-C 3.58Å; F349-C353 WeakPolarHBondContact O-CA 3.38Å; F349-C353 WeakPolarHBondContact O-CB 3.3Å; F349-C353 PolarHBondContact O-N 3.2Å; C353-N355 PolarHBondContact O-N 3.48Å; C353-R356 PolarHBondContact O-N 2.88Å; C353-L357 PolarHBondContact O-N 2.95Å
354Y94.6Very high92.5Very high1 Ų134.8 Ų34.80%0.00418%0.176CC..Hα-helixtrans-54-51.9-161.8175.4-91.8000114.2F349 L350 R356 L357 M358 F385 L398 V399 T402F349-Y354 AromaticContact CE1-CD2 3.9Å; F349-Y354 HydrophobicContact CE1-CD2 3.9Å; F349-Y354 PolarHBondContact O-N 3.02Å; L350-Y354 HydrophobicContact CD2-CD1 4.36Å; L350-Y354 HydrophobicContact CD2-CD2 4.32Å; L350-Y354 HydrophobicContact CD2-CG 4.01Å; Y354-R356 VanDerWaalsContact C-N 3.28Å; Y354-R356 PolarHBondContact O-N 3.23Å; Y354-L357 PolarHBondContact O-N 2.99Å; Y354-M358 HydrophobicContact CD1-CG 4.4Å; Y354-M358 HydrophobicContact CD2-CG 3.8Å; Y354-M358 HydrophobicContact CE1-CG 4.18Å; Y354-M358 HydrophobicContact CE2-CE 4.25Å; Y354-M358 HydrophobicContact CE2-CG 3.56Å; Y354-M358 HydrophobicContact CE2-SD 4.23Å; Y354-M358 HydrophobicContact CG-CG 4.23Å; Y354-M358 VanDerWaalsContact O-CB 3.29Å; Y354-M358 WeakPolarHBondContact O-CB 3.11Å; Y354-M358 VanDerWaalsContact O-CG 3.26Å; Y354-M358 WeakPolarHBondContact O-CG 3.26Å; Y354-M358 PolarHBondContact O-N 3.09Å; Y354-F385 HydrophobicContact CD2-CB 3.8Å; Y354-F385 HydrophobicContact CD2-CD2 4.18Å; Y354-F385 HydrophobicContact CD2-CG 4.09Å; Y354-F385 HydrophobicContact CE2-CB 3.49Å; Y354-F385 VanDerWaalsContact CE2-CB 3.49Å; Y354-F385 HydrophobicContact CE2-CD2 4.09Å; Y354-F385 HydrophobicContact CE2-CG 4.09Å; Y354-L398 WeakPolarHBondContact CD1-O 3.49Å; Y354-V399 HydrophobicContact CD1-CB 4.3Å; Y354-V399 HydrophobicContact CD1-CG1 3.97Å; Y354-V399 HydrophobicContact CE1-CB 3.78Å; Y354-V399 HydrophobicContact CE1-CG1 3.7Å; Y354-T402 HydrophobicContact CE1-CG2 4.17Å; Y354-T402 VanDerWaalsContact CE1-OG1 3.3Å; Y354-T402 WeakPolarHBondContact CE1-OG1 3.22Å; Y354-T402 VanDerWaalsContact OH-CG2 3.25Å; Y354-T402 WeakPolarHBondContact OH-CG2 3.42Å; Y354-T402 PolarHBondContact OH-OG1 3.41Å
355N93Very high92.3Very high48 Ų4831.7 Ų31.726%0.25716%0.16SC..Hα-helixtrans-58.8-38.7-179.8-79.5-41000112.5C353 G359 G397 L398 S400 E401C353-N355 PolarHBondContact O-N 3.48Å; N355-G359 PolarHBondContact O-N 3.42Å; N355-G359 VanDerWaalsContact O-N 3.09Å; N355-G397 PolarHBondContact ND2-O 3.24Å; N355-L398 VanDerWaalsContact CG-O 3.32Å; N355-L398 PolarHBondContact ND2-O 2.88Å; N355-L398 VanDerWaalsContact ND2-O 3.12Å; N355-L398 PolarHBondContact OD1-O 2.92Å; N355-S400 PolarHBondContact ND2-OG 3.34Å; N355-S400 PolarHBondContact OD1-N 3.07Å; N355-S400 PolarHBondContact OD1-OG 3.29Å; N355-E401 PolarHBondContact OD1-N 3.08Å; N355-E401 VanDerWaalsContact OD1-N 3.11Å
356R91.8Very high91.9Very high117 Ų11735.1 Ų35.144%0.44218%0.178SC..Hα-helixtrans-73.4-48.4-179177.8170.4-73.3-159.9-7.5111.3S207 C353 Y354 G359 S360S207-R356 WeakPolarHBondContact O-CD 3.47Å; S207-R356 PolarHBondContact O-NH1 2.99Å; C353-R356 PolarHBondContact O-N 2.88Å; Y354-R356 VanDerWaalsContact C-N 3.28Å; Y354-R356 PolarHBondContact O-N 3.23Å; R356-G359 PolarHBondContact O-N 3.37Å; R356-S360 WeakPolarHBondContact O-CB 3.31Å; R356-S360 PolarHBondContact O-N 2.53Å
357L94.3Very high91.4Very high5 Ų544 Ų443%0.02621%0.212CC..Hα-helixtrans-62.5-47.6179.3-17172.1000111.3A206 V218 L219 F349 C353 Y354 G359 S360 V361A206-L357 HydrophobicContact CB-CB 4.42Å; A206-L357 HydrophobicContact CB-CD1 4.16Å; A206-L357 HydrophobicContact CB-CD2 4.18Å; V218-L357 HydrophobicContact CB-CD1 4.43Å; V218-L357 HydrophobicContact CG1-CD1 4.47Å; V218-L357 HydrophobicContact CG1-CD2 4.42Å; L219-L357 HydrophobicContact CB-CD2 4.15Å; L219-L357 HydrophobicContact CD1-CD2 3.86Å; F349-L357 HydrophobicContact CE2-CD2 3.82Å; F349-L357 HydrophobicContact CZ-CD2 3.79Å; C353-L357 PolarHBondContact O-N 2.95Å; Y354-L357 PolarHBondContact O-N 2.99Å; L357-G359 PolarHBondContact O-N 2.75Å; L357-S360 PolarHBondContact O-N 3.12Å; L357-V361 WeakPolarHBondContact O-CG2 3.37Å; L357-V361 PolarHBondContact O-N 3.24Å
358M93.9Very high90.5Very high0 Ų045.7 Ų45.70%022%0.216CC..Hα-helixtrans-68.6-33-179.6-65.3-64.4-8200112.4L219 Y354 K362 Y378 A381 L382 T402L219-M358 HydrophobicContact CD1-SD 3.9Å; L219-M358 HydrophobicContact CD2-SD 4.27Å; Y354-M358 HydrophobicContact CD1-CG 4.4Å; Y354-M358 HydrophobicContact CD2-CG 3.8Å; Y354-M358 HydrophobicContact CE1-CG 4.18Å; Y354-M358 HydrophobicContact CE2-CE 4.25Å; Y354-M358 HydrophobicContact CE2-CG 3.56Å; Y354-M358 HydrophobicContact CE2-SD 4.23Å; Y354-M358 HydrophobicContact CG-CG 4.23Å; Y354-M358 VanDerWaalsContact O-CB 3.29Å; Y354-M358 WeakPolarHBondContact O-CB 3.11Å; Y354-M358 VanDerWaalsContact O-CG 3.26Å; Y354-M358 WeakPolarHBondContact O-CG 3.26Å; Y354-M358 PolarHBondContact O-N 3.09Å; M358-K362 WeakPolarHBondContact O-CB 3.49Å; M358-K362 PolarHBondContact O-N 3.29Å; M358-K362 VanDerWaalsContact O-N 3.14Å; M358-Y378 HydrophobicContact CB-CE2 4.16Å; M358-Y378 HydrophobicContact CE-CD2 3.55Å; M358-Y378 HydrophobicContact CE-CE1 4.44Å; M358-Y378 HydrophobicContact CE-CE2 3.42Å; M358-Y378 VanDerWaalsContact CE-CE2 3.42Å; M358-Y378 HydrophobicContact CE-CG 4.13Å; M358-Y378 WeakPolarHBondContact O-CE2 3.33Å; M358-Y378 HydrophobicContact SD-CD2 3.9Å; M358-Y378 HydrophobicContact SD-CE2 3.96Å; M358-A381 HydrophobicContact CE-CB 4.32Å; M358-A381 HydrophobicContact SD-CB 4.29Å; M358-L382 HydrophobicContact CE-CB 3.79Å; M358-T402 HydrophobicContact CB-CG2 4.13Å; M358-T402 HydrophobicContact CE-CG2 3.89Å; M358-T402 HydrophobicContact CG-CG2 4.4Å
359G91.8Very high89.1Confident22 Ų2246.8 Ų46.823%0.22722%0.22CC..Hα-helixtrans-64-49170.800000112.1N355 R356 L357 K362 D363N355-G359 PolarHBondContact O-N 3.42Å; N355-G359 VanDerWaalsContact O-N 3.09Å; R356-G359 PolarHBondContact O-N 3.37Å; L357-G359 PolarHBondContact O-N 2.75Å; G359-K362 PolarHBondContact O-N 3.49Å; G359-D363 WeakPolarHBondContact O-CB 3.21Å; G359-D363 PolarHBondContact O-N 3.29Å; G359-D363 VanDerWaalsContact O-N 3.08Å
360S91.6Very high87.2Confident9 Ų951.4 Ų51.46%0.06326%0.258CS..Hα-helixtrans-65.1-44.8-179.9-172.30000112.6R356 L357 K362 D363 H364R356-S360 WeakPolarHBondContact O-CB 3.31Å; R356-S360 PolarHBondContact O-N 2.53Å; L357-S360 PolarHBondContact O-N 3.12Å; S360-K362 PolarHBondContact O-N 2.71Å; S360-D363 WeakPolarHBondContact O-CB 3.48Å; S360-D363 PolarHBondContact O-N 3.23Å; S360-H364 PolarHBondContact O-N 3.12Å; S360-H364 PolarHBondContact O-ND1 2.88Å; S360-H364 PolarHBondContact OG-CE1 3.4Å
361V92.2Very high85.9Confident1 Ų157 Ų571%0.00628%0.284CS..Hα-helixtrans-62.8-43.3176.8166.50000111.6L216 L219 L357 D363 H364 L365 Y378L216-V361 HydrophobicContact CD2-CB 4.47Å; L216-V361 HydrophobicContact CD2-CG1 3.77Å; L216-V361 HydrophobicContact CD2-CG2 4.22Å; L219-V361 HydrophobicContact CB-CG2 4.23Å; L219-V361 HydrophobicContact CD2-CB 4.21Å; L219-V361 HydrophobicContact CD2-CG1 3.78Å; L219-V361 HydrophobicContact CD2-CG2 3.97Å; L357-V361 WeakPolarHBondContact O-CG2 3.37Å; L357-V361 PolarHBondContact O-N 3.24Å; V361-D363 VanDerWaalsContact C-N 3.27Å; V361-D363 PolarHBondContact O-N 2.97Å; V361-H364 PolarHBondContact O-N 3.16Å; V361-L365 HydrophobicContact CG1-CD1 3.66Å; V361-L365 HydrophobicContact CG1-CG 4.11Å; V361-L365 WeakPolarHBondContact O-CB 3.31Å; V361-L365 VanDerWaalsContact O-CG 3.25Å; V361-L365 WeakPolarHBondContact O-CG 3.21Å; V361-L365 PolarHBondContact O-N 3.46Å; V361-Y378 HydrophobicContact CB-CD2 4.42Å; V361-Y378 HydrophobicContact CG1-CD2 3.86Å
362K90.2Very high84.7Confident14 Ų1460 Ų606%0.06130%0.298CS..Hα-helixtrans-60.2-37.8177175.6179.9167.1-173.40112.2M358 G359 S360 L365 L366 Y378 E401 T407M358-K362 WeakPolarHBondContact O-CB 3.49Å; M358-K362 PolarHBondContact O-N 3.29Å; M358-K362 VanDerWaalsContact O-N 3.14Å; G359-K362 PolarHBondContact O-N 3.49Å; S360-K362 PolarHBondContact O-N 2.71Å; K362-L365 PolarHBondContact O-N 3.32Å; K362-L366 HydrophobicContact CG-CD1 4.21Å; K362-L366 VanDerWaalsContact O-CG 3.27Å; K362-L366 WeakPolarHBondContact O-CG 3.5Å; K362-L366 PolarHBondContact O-N 3.21Å; K362-L366 VanDerWaalsContact O-N 3.1Å; K362-Y378 HydrophobicContact CB-CE2 3.95Å; K362-E401 IonicContact NZ-OE1 3.12Å; K362-E401 PolarHBondContact NZ-OE1 3.29Å; K362-T407 PolarHBondContact NZ-OG1 3.07Å
363D88.8Confident84Confident58 Ų5857.9 Ų57.931%0.3129%0.285SS..Hα-helixtrans-66.9-47.1176.8-173.453.4000111.8G359 S360 V361 L365 L366 R367G359-D363 WeakPolarHBondContact O-CB 3.21Å; G359-D363 PolarHBondContact O-N 3.29Å; G359-D363 VanDerWaalsContact O-N 3.08Å; S360-D363 WeakPolarHBondContact O-CB 3.48Å; S360-D363 PolarHBondContact O-N 3.23Å; V361-D363 VanDerWaalsContact C-N 3.27Å; V361-D363 PolarHBondContact O-N 2.97Å; D363-L365 PolarHBondContact O-N 3.19Å; D363-L366 PolarHBondContact O-N 2.71Å; D363-L366 VanDerWaalsContact O-N 3.14Å; D363-R367 VanDerWaalsContact CG-CZ 3.49Å; D363-R367 WeakPolarHBondContact O-CG 3.23Å; D363-R367 PolarHBondContact O-N 3.41Å; D363-R367 IonicContact OD1-CZ 3.58Å; D363-R367 IonicContact OD1-NE 2.71Å; D363-R367 PolarHBondContact OD1-NE 2.91Å; D363-R367 IonicContact OD1-NH2 3.93Å; D363-R367 PolarHBondContact OD1-NH2 2.69Å; D363-R367 IonicContact OD2-CZ 2.87Å; D363-R367 IonicContact OD2-NE 3.92Å; D363-R367 PolarHBondContact OD2-NE 3.42Å; D363-R367 VanDerWaalsContact OD2-NE 3.13Å; D363-R367 IonicContact OD2-NH1 2.98Å; D363-R367 IonicContact OD2-NH2 3.81Å; D363-R367 PolarHBondContact OD2-NH2 2.92Å
364H87.8Confident83.5Confident33 Ų3360.9 Ų60.915%0.15330%0.301CS..Hα-helixtrans-58.7-44.7171.6-67.790.7000111.9Q212 L216 S360 V361 L366 R367 E368Q212-H364 PolarHBondContact O-CE1 3Å; L216-H364 HydrophobicContact CD1-CB 4.5Å; S360-H364 PolarHBondContact O-N 3.12Å; S360-H364 PolarHBondContact O-ND1 2.88Å; S360-H364 PolarHBondContact OG-CE1 3.4Å; V361-H364 PolarHBondContact O-N 3.16Å; H364-L366 PolarHBondContact O-N 3.46Å; H364-R367 PolarHBondContact O-N 2.94Å; H364-E368 IonicContact CD2-OE1 2.67Å; H364-E368 WeakPolarHBondContact O-CB 3.44Å; H364-E368 PolarHBondContact O-N 3.37Å
365L87.5Confident83.2Confident13 Ų1362.2 Ų62.27%0.06831%0.308CS..Hα-helixtrans-67.7-12.8177.8-69.2175.8000114.7L216 V361 K362 D363 K369 H373 E375 Y378 F410L216-L365 HydrophobicContact CD2-CD2 4.45Å; V361-L365 HydrophobicContact CG1-CD1 3.66Å; V361-L365 HydrophobicContact CG1-CG 4.11Å; V361-L365 WeakPolarHBondContact O-CB 3.31Å; V361-L365 VanDerWaalsContact O-CG 3.25Å; V361-L365 WeakPolarHBondContact O-CG 3.21Å; V361-L365 PolarHBondContact O-N 3.46Å; K362-L365 PolarHBondContact O-N 3.32Å; D363-L365 PolarHBondContact O-N 3.19Å; L365-K369 VanDerWaalsContact O-CE 3.28Å; L365-K369 WeakPolarHBondContact O-CE 3.48Å; L365-K369 PolarHBondContact O-NZ 3.41Å; L365-H373 HydrophobicContact CD2-CB 3.75Å; L365-E375 HydrophobicContact CD1-CB 3.87Å; L365-E375 HydrophobicContact CD2-CB 3.86Å; L365-E375 HydrophobicContact CG-CB 4.48Å; L365-Y378 HydrophobicContact CD1-CG 4.27Å; L365-F410 HydrophobicContact CB-CZ 4.37Å
366L85.8Confident83Confident80 Ų8061 Ų6142%0.41930%0.301SS..Hα-helixtrans-93.8-41.6172.1-75.4169.9000111.7K362 D363 H364 F410K362-L366 HydrophobicContact CG-CD1 4.21Å; K362-L366 VanDerWaalsContact O-CG 3.27Å; K362-L366 WeakPolarHBondContact O-CG 3.5Å; K362-L366 PolarHBondContact O-N 3.21Å; K362-L366 VanDerWaalsContact O-N 3.1Å; D363-L366 PolarHBondContact O-N 2.71Å; D363-L366 VanDerWaalsContact O-N 3.14Å; H364-L366 PolarHBondContact O-N 3.46Å; L366-F410 HydrophobicContact CD2-CD2 3.95Å; L366-F410 HydrophobicContact CD2-CE2 3.86Å; L366-F410 HydrophobicContact CG-CD2 4.49Å; L366-F410 HydrophobicContact CG-CE2 4.19Å
367R83.8Confident83Confident185 Ų18556.9 Ų56.970%0.69829%0.286SS*.Hα-helixtrans-78.1-41.1-178.8-63177.1-165.6-161.56.7113.4D363 H364 K369D363-R367 VanDerWaalsContact CG-CZ 3.49Å; D363-R367 WeakPolarHBondContact O-CG 3.23Å; D363-R367 PolarHBondContact O-N 3.41Å; D363-R367 IonicContact OD1-CZ 3.58Å; D363-R367 IonicContact OD1-NE 2.71Å; D363-R367 PolarHBondContact OD1-NE 2.91Å; D363-R367 IonicContact OD1-NH2 3.93Å; D363-R367 PolarHBondContact OD1-NH2 2.69Å; D363-R367 IonicContact OD2-CZ 2.87Å; D363-R367 IonicContact OD2-NE 3.92Å; D363-R367 PolarHBondContact OD2-NE 3.42Å; D363-R367 VanDerWaalsContact OD2-NE 3.13Å; D363-R367 IonicContact OD2-NH1 2.98Å; D363-R367 IonicContact OD2-NH2 3.81Å; D363-R367 PolarHBondContact OD2-NH2 2.92Å; H364-R367 PolarHBondContact O-N 2.94Å; R367-K369 PolarHBondContact O-N 3.31Å
368E73.8Confident83Confident66 Ų6656.7 Ų56.731%0.30829%0.285SS..  trans-101.536.4-166.6-56.9-171.6168.900113.5H364 A370 Q371 H373H364-E368 IonicContact CD2-OE1 2.67Å; H364-E368 WeakPolarHBondContact O-CB 3.44Å; H364-E368 PolarHBondContact O-N 3.37Å; E368-A370 PolarHBondContact O-N 3.23Å; E368-Q371 HydrophobicContact CB-CG 4.42Å; E368-Q371 VanDerWaalsContact CD-NE2 3.33Å; E368-Q371 PolarHBondContact O-N 3.43Å; E368-Q371 PolarHBondContact OE2-NE2 2.99Å; E368-H373 IonicContact OE2-CD2 2.84Å; E368-H373 IonicContact OE2-CE1 3.23Å; E368-H373 IonicContact OE2-NE2 3.69Å; E368-H373 PolarHBondContact OE2-NE2 3.18Å
369K64.4Low83Confident120 Ų12056.7 Ų56.752%0.52229%0.285SS..G310 helixtrans-47.8-35.2-179.2-65.7-66.6-173.2-172.30113.9L365 R367 Q371 Q372L365-K369 VanDerWaalsContact O-CE 3.28Å; L365-K369 WeakPolarHBondContact O-CE 3.48Å; L365-K369 PolarHBondContact O-NZ 3.41Å; R367-K369 PolarHBondContact O-N 3.31Å; K369-Q371 VanDerWaalsContact C-N 3.28Å; K369-Q371 PolarHBondContact O-N 2.87Å; K369-Q372 PolarHBondContact O-N 2.95Å
370A55Low83.2Confident98 Ų9858.4 Ų58.481%0.8129%0.285SS*.G310 helixtrans-63.5-26.118000000114.5E368E368-A370 PolarHBondContact O-N 3.23Å
371Q65.7Low83.3Confident119 Ų11958 Ų5856%0.55628%0.282SS*.G310 helixtrans-81.5-11.3-175.6-64.1-168.645.600114E368 K369 H373E368-Q371 HydrophobicContact CB-CG 4.42Å; E368-Q371 VanDerWaalsContact CD-NE2 3.33Å; E368-Q371 PolarHBondContact O-N 3.43Å; E368-Q371 PolarHBondContact OE2-NE2 2.99Å; K369-Q371 VanDerWaalsContact C-N 3.28Å; K369-Q371 PolarHBondContact O-N 2.87Å; Q371-H373 PolarHBondContact O-N 3.01Å; Q371-H373 PolarHBondContact OE1-CE1 3.28Å; Q371-H373 PolarHBondContact OE1-NE2 2.94Å
372Q67.4Low83.4Confident178 Ų17857.9 Ų57.983%0.83228%0.282SS*.  trans54.935.3-178.1-53.3-174.613.400114.2K369K369-Q372 PolarHBondContact O-N 2.95Å
373H77Confident83.6Confident46 Ų4658.1 Ų58.121%0.21329%0.286CS..  trans-48.5138.3171.8-67.4-45.5000111.8L216 L365 E368 Q371 E375L216-H373 HydrophobicContact CD1-CB 4.48Å; L365-H373 HydrophobicContact CD2-CB 3.75Å; E368-H373 IonicContact OE2-CD2 2.84Å; E368-H373 IonicContact OE2-CE1 3.23Å; E368-H373 IonicContact OE2-NE2 3.69Å; E368-H373 PolarHBondContact OE2-NE2 3.18Å; Q371-H373 PolarHBondContact O-N 3.01Å; Q371-H373 PolarHBondContact OE1-CE1 3.28Å; Q371-H373 PolarHBondContact OE1-NE2 2.94Å; H373-E375 PolarHBondContact O-N 3.1Å
374D83.5Confident83.9Confident66 Ų6655.8 Ų55.835%0.35327%0.273SS..  trans-74.390.9-176.8-165.7-19.4000111.8T376 Y377D374-T376 PolarHBondContact O-N 3.24Å; D374-T376 VanDerWaalsContact O-N 3.16Å; D374-T376 WeakPolarHBondContact OD1-CB 3.45Å; D374-T376 WeakPolarHBondContact OD1-CG2 3.21Å; D374-T376 PolarHBondContact OD1-N 3.34Å; D374-T376 PolarHBondContact OD1-OG1 3.1Å; D374-Y377 HydrophobicContact CB-CD2 4.03Å; D374-Y377 HydrophobicContact CB-CE2 4.04Å; D374-Y377 WeakPolarHBondContact O-CD2 3.41Å
375E87Confident84.2Confident29 Ų2954.2 Ų54.214%0.13627%0.266CS..THydrogen-bonded Turntrans-69.6-7.5-179.979.8-61.9160.800113.2L365 H373 Y377 Y378 M379 Y418 R435L365-E375 HydrophobicContact CD1-CB 3.87Å; L365-E375 HydrophobicContact CD2-CB 3.86Å; L365-E375 HydrophobicContact CG-CB 4.48Å; H373-E375 PolarHBondContact O-N 3.1Å; E375-Y377 VanDerWaalsContact C-N 3.26Å; E375-Y377 PolarHBondContact O-N 2.78Å; E375-Y378 WeakPolarHBondContact O-CB 3.23Å; E375-Y378 PolarHBondContact O-N 3.36Å; E375-Y378 VanDerWaalsContact O-N 3.13Å; E375-M379 HydrophobicContact CG-CE 4.41Å; E375-M379 WeakPolarHBondContact O-CG 3.29Å; E375-M379 PolarHBondContact O-N 2.88Å; E375-Y418 VanDerWaalsContact CD-OH 3.26Å; E375-Y418 WeakPolarHBondContact CG-OH 3.48Å; E375-Y418 WeakPolarHBondContact OE1-CE1 3.18Å; E375-Y418 PolarHBondContact OE1-OH 3.08Å; E375-R435 WeakPolarHBondContact OE1-CD 3.48Å; E375-R435 IonicContact OE1-NE 2.65Å
376T90.3Very high84.4Confident21 Ų2153.6 Ų53.613%0.12926%0.262CS..Hα-helixtrans-67.4-27.2-179.771.10000112.9D374 Y378 M379 W380 R435 L438D374-T376 PolarHBondContact O-N 3.24Å; D374-T376 VanDerWaalsContact O-N 3.16Å; D374-T376 WeakPolarHBondContact OD1-CB 3.45Å; D374-T376 WeakPolarHBondContact OD1-CG2 3.21Å; D374-T376 PolarHBondContact OD1-N 3.34Å; D374-T376 PolarHBondContact OD1-OG1 3.1Å; T376-Y378 VanDerWaalsContact C-N 3.34Å; T376-M379 PolarHBondContact O-N 2.98Å; T376-W380 WeakPolarHBondContact O-CB 3.27Å; T376-W380 PolarHBondContact O-N 3.3Å; T376-R435 HydrophobicContact CG2-CB 4.16Å; T376-R435 HydrophobicContact CG2-CG 3.62Å; T376-L438 HydrophobicContact CG2-CD1 4.31Å
377Y91.9Very high84.7Confident31 Ų3150 Ų5012%0.12224%0.244CC..Hα-helixtrans-64.5-37.7172-66.2-75.3000111.9E220 L224 D374 E375 W380 A381E220-Y377 HydrophobicContact CB-CE1 4.49Å; E220-Y377 HydrophobicContact CG-CD1 4.35Å; E220-Y377 HydrophobicContact CG-CD2 3.61Å; E220-Y377 HydrophobicContact CG-CE1 4.38Å; E220-Y377 HydrophobicContact CG-CE2 3.64Å; E220-Y377 HydrophobicContact CG-CG 3.96Å; E220-Y377 PolarHBondContact OE2-OH 2.9Å; L224-Y377 HydrophobicContact CD2-CE1 4.16Å; L224-Y377 HydrophobicContact CG-CE1 4.09Å; D374-Y377 HydrophobicContact CB-CD2 4.03Å; D374-Y377 HydrophobicContact CB-CE2 4.04Å; D374-Y377 WeakPolarHBondContact O-CD2 3.41Å; E375-Y377 VanDerWaalsContact C-N 3.26Å; E375-Y377 PolarHBondContact O-N 2.78Å; Y377-W380 PolarHBondContact O-N 3.12Å; Y377-A381 WeakPolarHBondContact O-CB 3.37Å; Y377-A381 PolarHBondContact O-N 3.12Å
378Y94.3Very high85.1Confident1 Ų141.2 Ų41.20%0.00421%0.211CC..Hα-helixtrans-63.4-45.7173-177.2-90.1000111.6M358 V361 K362 L365 E375 T376 W380 A381 L382 F410 I411M358-Y378 HydrophobicContact CB-CE2 4.16Å; M358-Y378 HydrophobicContact CE-CD2 3.55Å; M358-Y378 HydrophobicContact CE-CE1 4.44Å; M358-Y378 HydrophobicContact CE-CE2 3.42Å; M358-Y378 VanDerWaalsContact CE-CE2 3.42Å; M358-Y378 HydrophobicContact CE-CG 4.13Å; M358-Y378 WeakPolarHBondContact O-CE2 3.33Å; M358-Y378 HydrophobicContact SD-CD2 3.9Å; M358-Y378 HydrophobicContact SD-CE2 3.96Å; V361-Y378 HydrophobicContact CB-CD2 4.42Å; V361-Y378 HydrophobicContact CG1-CD2 3.86Å; K362-Y378 HydrophobicContact CB-CE2 3.95Å; L365-Y378 HydrophobicContact CD1-CG 4.27Å; E375-Y378 WeakPolarHBondContact O-CB 3.23Å; E375-Y378 PolarHBondContact O-N 3.36Å; E375-Y378 VanDerWaalsContact O-N 3.13Å; T376-Y378 VanDerWaalsContact C-N 3.34Å; Y378-W380 VanDerWaalsContact C-N 3.32Å; Y378-W380 PolarHBondContact O-N 3.41Å; Y378-A381 PolarHBondContact O-N 2.72Å; Y378-L382 HydrophobicContact CE1-CD1 4.04Å; Y378-L382 VanDerWaalsContact O-CB 3.3Å; Y378-L382 WeakPolarHBondContact O-CB 3.37Å; Y378-L382 PolarHBondContact O-N 3.09Å; Y378-F410 AromaticContact CD1-CE1 3.89Å; Y378-F410 HydrophobicContact CD1-CE1 3.89Å; Y378-F410 HydrophobicContact CE1-CD1 4.02Å; Y378-F410 AromaticContact CE1-CE1 3.74Å; Y378-F410 HydrophobicContact CE1-CE1 3.74Å; Y378-I411 HydrophobicContact CE1-CD1 4.34Å
379M94.3Very high85.9Confident0 Ų038.3 Ų38.30%020%0.198CC..Hα-helixtrans-60.8-41.6176.5-55.8-64.9163.100111.8E375 T376 A383 F410 I411 N414 L438 A439E375-M379 HydrophobicContact CG-CE 4.41Å; E375-M379 WeakPolarHBondContact O-CG 3.29Å; E375-M379 PolarHBondContact O-N 2.88Å; T376-M379 PolarHBondContact O-N 2.98Å; M379-A383 WeakPolarHBondContact O-CB 3.43Å; M379-A383 PolarHBondContact O-N 3.05Å; M379-F410 HydrophobicContact CE-CE1 4Å; M379-I411 HydrophobicContact CE-CD1 4.02Å; M379-I411 HydrophobicContact SD-CD1 3.33Å; M379-I411 WeakPolarHBondContact SD-CD1 3.22Å; M379-N414 HydrophobicContact CE-CB 3.71Å; M379-L438 HydrophobicContact CB-CB 3.97Å; M379-A439 HydrophobicContact CG-CB 4.43Å; M379-A439 HydrophobicContact SD-CB 3.93Å
380W94.6Very high87.1Confident58 Ų5834.9 Ų34.922%0.2218%0.181CC..Hα-helixtrans-68.9-49.1179-174.199.5000111.8F226 T376 Y377 Y378 A383 F384 L438F226-W380 HydrophobicContact CB-CH2 3.57Å; F226-W380 HydrophobicContact CB-CZ3 4.2Å; T376-W380 WeakPolarHBondContact O-CB 3.27Å; T376-W380 PolarHBondContact O-N 3.3Å; Y377-W380 PolarHBondContact O-N 3.12Å; Y378-W380 VanDerWaalsContact C-N 3.32Å; Y378-W380 PolarHBondContact O-N 3.41Å; W380-A383 PolarHBondContact O-N 3.47Å; W380-F384 HydrophobicContact CE3-CB 4.11Å; W380-F384 HydrophobicContact CH2-CB 3.62Å; W380-F384 HydrophobicContact CH2-CD1 4.04Å; W380-F384 AromaticContact CH2-CD2 3.38Å; W380-F384 HydrophobicContact CH2-CD2 3.38Å; W380-F384 HydrophobicContact CH2-CE2 4.05Å; W380-F384 AromaticContact CH2-CG 3.39Å; W380-F384 HydrophobicContact CH2-CG 3.39Å; W380-F384 HydrophobicContact CZ2-CB 4.14Å; W380-F384 AromaticContact CZ2-CD2 3.68Å; W380-F384 HydrophobicContact CZ2-CD2 3.68Å; W380-F384 HydrophobicContact CZ2-CE2 4.4Å; W380-F384 HydrophobicContact CZ2-CG 4.06Å; W380-F384 HydrophobicContact CZ3-CB 3.62Å; W380-F384 HydrophobicContact CZ3-CD1 4.28Å; W380-F384 HydrophobicContact CZ3-CD2 4.25Å; W380-F384 AromaticContact CZ3-CG 3.8Å; W380-F384 HydrophobicContact CZ3-CG 3.8Å; W380-F384 PolarHBondContact O-N 3.31Å; W380-L438 HydrophobicContact CB-CD2 4.5Å
381A94.5Very high88.7Confident0 Ų031.7 Ų31.70%016%0.155CC..Hα-helixtrans-63.9-43.6-177.500000111.7L219 M358 Y377 Y378 A383 F384 F385L219-A381 HydrophobicContact CD1-CB 3.68Å; L219-A381 HydrophobicContact CG-CB 4.43Å; M358-A381 HydrophobicContact CE-CB 4.32Å; M358-A381 HydrophobicContact SD-CB 4.29Å; Y377-A381 WeakPolarHBondContact O-CB 3.37Å; Y377-A381 PolarHBondContact O-N 3.12Å; Y378-A381 PolarHBondContact O-N 2.72Å; A381-A383 VanDerWaalsContact C-N 3.34Å; A381-A383 PolarHBondContact O-N 3.24Å; A381-F384 PolarHBondContact O-N 3.34Å; A381-F385 HydrophobicContact CB-CD2 3.96Å; A381-F385 HydrophobicContact CB-CE2 4.05Å; A381-F385 WeakPolarHBondContact O-CB 3.4Å; A381-F385 WeakPolarHBondContact O-CD2 3.42Å; A381-F385 PolarHBondContact O-N 2.99Å
382L94.8Very high89.6Confident0 Ų026.9 Ų26.90%014%0.136CC..Hα-helixtrans-55.3-50.9173.6-169.4164.6000110.4M358 Y378 F384 M386 T402 T407 I411 A442 L446M358-L382 HydrophobicContact CE-CB 3.79Å; Y378-L382 HydrophobicContact CE1-CD1 4.04Å; Y378-L382 VanDerWaalsContact O-CB 3.3Å; Y378-L382 WeakPolarHBondContact O-CB 3.37Å; Y378-L382 PolarHBondContact O-N 3.09Å; L382-F384 VanDerWaalsContact C-N 3.34Å; L382-F384 PolarHBondContact O-N 3.05Å; L382-M386 HydrophobicContact CD2-CG 4.36Å; L382-M386 HydrophobicContact CD2-SD 3.5Å; L382-M386 VanDerWaalsContact CD2-SD 3.5Å; L382-M386 HydrophobicContact CG-SD 3.93Å; L382-M386 VanDerWaalsContact O-CB 3.27Å; L382-M386 WeakPolarHBondContact O-CB 3.49Å; L382-M386 WeakPolarHBondContact O-CG 3.12Å; L382-M386 PolarHBondContact O-N 3.01Å; L382-M386 VanDerWaalsContact O-N 3.16Å; L382-T402 HydrophobicContact CD1-CG2 3.76Å; L382-T402 HydrophobicContact CG-CG2 3.9Å; L382-T407 HydrophobicContact CD1-CG2 3.84Å; L382-I411 HydrophobicContact CD1-CD1 4.13Å; L382-I411 HydrophobicContact CD1-CG1 4.49Å; L382-A442 HydrophobicContact CD2-CB 4.13Å; L382-L446 HydrophobicContact CD2-CD2 4Å; L382-L446 HydrophobicContact CD2-CG 3.91Å
383A94Very high90.2Very high18 Ų1823.4 Ų23.415%0.14913%0.131CC..Hα-helixtrans-63-36.9179.700000113.1M379 W380 A381 A387 K441M379-A383 WeakPolarHBondContact O-CB 3.43Å; M379-A383 PolarHBondContact O-N 3.05Å; W380-A383 PolarHBondContact O-N 3.47Å; A381-A383 VanDerWaalsContact C-N 3.34Å; A381-A383 PolarHBondContact O-N 3.24Å; A383-A387 WeakPolarHBondContact O-CB 3.39Å; A383-K441 HydrophobicContact CB-CB 4.21Å
384F93.9Very high90.4Very high9 Ų924.6 Ų24.64%0.03914%0.136CC..Hα-helixtrans-75.5-54.6-179.3-174.4-87.6000112.5F226 Q229 P231 L234 W380 A381 L382 A387 F388F226-F384 HydrophobicContact CB-CD1 4.37Å; F226-F384 HydrophobicContact CB-CE1 3.91Å; F226-F384 HydrophobicContact CB-CE2 4.2Å; F226-F384 HydrophobicContact CB-CZ 3.83Å; F226-F384 AromaticContact CD1-CE1 3.54Å; F226-F384 HydrophobicContact CD1-CE1 3.54Å; F226-F384 AromaticContact CD1-CZ 3.53Å; F226-F384 HydrophobicContact CD1-CZ 3.53Å; F226-F384 HydrophobicContact CE1-CE1 4.21Å; F226-F384 HydrophobicContact CE1-CZ 4.42Å; F226-F384 AromaticContact CG-CE1 3.84Å; F226-F384 HydrophobicContact CG-CE1 3.84Å; F226-F384 HydrophobicContact CG-CZ 4.01Å; Q229-F384 HydrophobicContact CB-CE2 4.12Å; Q229-F384 HydrophobicContact CB-CZ 4.22Å; P231-F384 HydrophobicContact CB-CD2 4.12Å; P231-F384 HydrophobicContact CB-CE1 4.37Å; P231-F384 HydrophobicContact CB-CE2 3.92Å; P231-F384 HydrophobicContact CB-CG 4.43Å; P231-F384 HydrophobicContact CB-CZ 4.03Å; P231-F384 HydrophobicContact CG-CD2 4Å; P231-F384 HydrophobicContact CG-CE2 4.11Å; L234-F384 HydrophobicContact CD2-CZ 4.32Å; W380-F384 HydrophobicContact CE3-CB 4.11Å; W380-F384 HydrophobicContact CH2-CB 3.62Å; W380-F384 HydrophobicContact CH2-CD1 4.04Å; W380-F384 AromaticContact CH2-CD2 3.38Å; W380-F384 HydrophobicContact CH2-CD2 3.38Å; W380-F384 HydrophobicContact CH2-CE2 4.05Å; W380-F384 AromaticContact CH2-CG 3.39Å; W380-F384 HydrophobicContact CH2-CG 3.39Å; W380-F384 HydrophobicContact CZ2-CB 4.14Å; W380-F384 AromaticContact CZ2-CD2 3.68Å; W380-F384 HydrophobicContact CZ2-CD2 3.68Å; W380-F384 HydrophobicContact CZ2-CE2 4.4Å; W380-F384 HydrophobicContact CZ2-CG 4.06Å; W380-F384 HydrophobicContact CZ3-CB 3.62Å; W380-F384 HydrophobicContact CZ3-CD1 4.28Å; W380-F384 HydrophobicContact CZ3-CD2 4.25Å; W380-F384 AromaticContact CZ3-CG 3.8Å; W380-F384 HydrophobicContact CZ3-CG 3.8Å; W380-F384 PolarHBondContact O-N 3.31Å; A381-F384 PolarHBondContact O-N 3.34Å; L382-F384 VanDerWaalsContact C-N 3.34Å; L382-F384 PolarHBondContact O-N 3.05Å; F384-A387 PolarHBondContact O-N 2.97Å; F384-F388 PolarHBondContact O-N 3.22Å
385F94.2Very high90.3Very high0 Ų030.4 Ų30.40%015%0.153CC..Hα-helixtrans-72.5-34.5-172.2-70.2-63.7000112.7V222 F226 C346 F349 L350 Y354 A381 F388 N389V222-F385 HydrophobicContact CG1-CE2 3.98Å; V222-F385 HydrophobicContact CG1-CZ 3.54Å; F226-F385 HydrophobicContact CD2-CE1 4.44Å; F226-F385 HydrophobicContact CD2-CZ 4.1Å; F226-F385 HydrophobicContact CE2-CE1 4.39Å; F226-F385 HydrophobicContact CE2-CZ 4.33Å; C346-F385 VanDerWaalsContact SG-CD1 3.56Å; C346-F385 VanDerWaalsContact SG-CE1 3.6Å; F349-F385 AromaticContact CD1-CD1 3.86Å; F349-F385 HydrophobicContact CD1-CD1 3.86Å; F349-F385 AromaticContact CD1-CE1 3.63Å; F349-F385 HydrophobicContact CD1-CE1 3.63Å; F349-F385 HydrophobicContact CD1-CE2 4.31Å; F349-F385 HydrophobicContact CD1-CG 4.33Å; F349-F385 AromaticContact CD1-CZ 3.89Å; F349-F385 HydrophobicContact CD1-CZ 3.89Å; F349-F385 AromaticContact CE1-CD1 3.94Å; F349-F385 HydrophobicContact CE1-CD1 3.94Å; F349-F385 AromaticContact CE1-CD2 3.77Å; F349-F385 HydrophobicContact CE1-CD2 3.77Å; F349-F385 AromaticContact CE1-CE1 3.76Å; F349-F385 HydrophobicContact CE1-CE1 3.76Å; F349-F385 AromaticContact CE1-CE2 3.57Å; F349-F385 HydrophobicContact CE1-CE2 3.57Å; F349-F385 AromaticContact CE1-CG 3.98Å; F349-F385 HydrophobicContact CE1-CG 3.98Å; F349-F385 AromaticContact CE1-CZ 3.59Å; F349-F385 HydrophobicContact CE1-CZ 3.59Å; F349-F385 HydrophobicContact CZ-CE2 4.29Å; F349-F385 HydrophobicContact CZ-CZ 4.44Å; L350-F385 HydrophobicContact CD2-CB 4.26Å; Y354-F385 HydrophobicContact CD2-CB 3.8Å; Y354-F385 HydrophobicContact CD2-CD2 4.18Å; Y354-F385 HydrophobicContact CD2-CG 4.09Å; Y354-F385 HydrophobicContact CE2-CB 3.49Å; Y354-F385 VanDerWaalsContact CE2-CB 3.49Å; Y354-F385 HydrophobicContact CE2-CD2 4.09Å; Y354-F385 HydrophobicContact CE2-CG 4.09Å; A381-F385 HydrophobicContact CB-CD2 3.96Å; A381-F385 HydrophobicContact CB-CE2 4.05Å; A381-F385 WeakPolarHBondContact O-CB 3.4Å; A381-F385 WeakPolarHBondContact O-CD2 3.42Å; A381-F385 PolarHBondContact O-N 2.99Å; F385-F388 PolarHBondContact O-N 3.16Å; F385-N389 VanDerWaalsContact O-CB 3.27Å; F385-N389 WeakPolarHBondContact O-CB 3.47Å; F385-N389 PolarHBondContact O-N 2.88Å
386M92.4Very high90.1Very high0 Ų031 Ų310%016%0.159CC..Hα-helixtrans-67.5-40172.1-66.6-171.168.100111.7L382 F388 N389 R390 V399 T402 L403 E445 L446 T449L382-M386 HydrophobicContact CD2-CG 4.36Å; L382-M386 HydrophobicContact CD2-SD 3.5Å; L382-M386 VanDerWaalsContact CD2-SD 3.5Å; L382-M386 HydrophobicContact CG-SD 3.93Å; L382-M386 VanDerWaalsContact O-CB 3.27Å; L382-M386 WeakPolarHBondContact O-CB 3.49Å; L382-M386 WeakPolarHBondContact O-CG 3.12Å; L382-M386 PolarHBondContact O-N 3.01Å; L382-M386 VanDerWaalsContact O-N 3.16Å; M386-F388 VanDerWaalsContact C-N 3.34Å; M386-F388 PolarHBondContact O-N 2.89Å; M386-N389 PolarHBondContact O-N 3.17Å; M386-R390 WeakPolarHBondContact O-CB 3.42Å; M386-R390 PolarHBondContact O-N 3.14Å; M386-V399 HydrophobicContact CE-CG2 4.13Å; M386-V399 HydrophobicContact CG-CB 4.12Å; M386-V399 HydrophobicContact CG-CG1 4.16Å; M386-V399 HydrophobicContact CG-CG2 4.48Å; M386-T402 PolarHBondContact SD-OG1 3.09Å; M386-L403 HydrophobicContact CE-CB 4.47Å; M386-L403 HydrophobicContact CE-CD1 4.13Å; M386-E445 HydrophobicContact CB-CG 3.52Å; M386-L446 HydrophobicContact CE-CD2 3.98Å; M386-L446 HydrophobicContact SD-CD2 3.82Å; M386-T449 HydrophobicContact CE-CG2 3.78Å
387A91.4Very high89.7Confident4 Ų432.1 Ų32.13%0.03318%0.175CC..Hα-helixtrans-64.1-37.3174.700000112.4P231 A383 F384 A391 E445P231-A387 HydrophobicContact CB-CB 4.19Å; P231-A387 HydrophobicContact CG-CB 3.69Å; A383-A387 WeakPolarHBondContact O-CB 3.39Å; F384-A387 PolarHBondContact O-N 2.97Å; A387-A391 VanDerWaalsContact O-CB 3.26Å; A387-A391 WeakPolarHBondContact O-CB 3.49Å; A387-A391 PolarHBondContact O-N 3.43Å; A387-E445 HydrophobicContact CB-CG 4.18Å; A387-E445 WeakPolarHBondContact CB-OE2 3.28Å
388F92.6Very high89.5Confident2 Ų231.5 Ų31.51%0.00917%0.174CC..Hα-helixtrans-66.2-50.3173-176.1-84.2000111.3P231 L234 A235 R343 C346 L350 F384 F385 M386 R390 A391 A392 F394P231-F388 HydrophobicContact CB-CB 3.84Å; L234-F388 HydrophobicContact CB-CD2 4.19Å; L234-F388 HydrophobicContact CB-CE2 4.01Å; L234-F388 HydrophobicContact CD2-CD2 4.06Å; L234-F388 HydrophobicContact CD2-CE2 3.78Å; L234-F388 HydrophobicContact CG-CD2 4.4Å; L234-F388 HydrophobicContact CG-CE2 3.88Å; A235-F388 HydrophobicContact CB-CD2 3.91Å; A235-F388 HydrophobicContact CB-CE2 3.85Å; A235-F388 HydrophobicContact CB-CG 4.42Å; A235-F388 HydrophobicContact CB-CZ 4.32Å; R343-F388 HydrophobicContact CG-CE2 4.37Å; R343-F388 HydrophobicContact CG-CZ 4.02Å; C346-F388 HydrophobicContact CB-CD1 4.47Å; C346-F388 HydrophobicContact CB-CE1 4.13Å; C346-F388 HydrophobicContact CB-CE2 4.22Å; C346-F388 HydrophobicContact CB-CZ 3.98Å; C346-F388 WeakPolarHBondContact SG-CD1 3.49Å; C346-F388 VanDerWaalsContact SG-CG 3.51Å; L350-F388 HydrophobicContact CD1-CD1 3.58Å; L350-F388 HydrophobicContact CD1-CE1 4.18Å; F384-F388 PolarHBondContact O-N 3.22Å; F385-F388 PolarHBondContact O-N 3.16Å; M386-F388 VanDerWaalsContact C-N 3.34Å; M386-F388 PolarHBondContact O-N 2.89Å; F388-R390 PolarHBondContact O-N 3.2Å; F388-A391 PolarHBondContact O-N 2.97Å; F388-A391 VanDerWaalsContact O-N 3.13Å; F388-A392 HydrophobicContact CD1-CB 4.42Å; F388-A392 HydrophobicContact CE1-CB 4.26Å; F388-A392 VanDerWaalsContact O-CB 3.29Å; F388-A392 WeakPolarHBondContact O-CB 3.15Å; F388-A392 PolarHBondContact O-N 2.91Å; F388-F394 AromaticContact CE1-CE2 4Å; F388-F394 HydrophobicContact CE1-CE2 4Å; F388-F394 HydrophobicContact CE1-CZ 4.5Å
389N91.1Very high89.3Confident5 Ų531.4 Ų31.43%0.02717%0.173CC..Hα-helixtrans-55.6-41.4178.1-173.285.3000111.7L350 F385 M386 S393 F394 V399L350-N389 HydrophobicContact CD1-CB 3.91Å; L350-N389 HydrophobicContact CD2-CB 4.23Å; F385-N389 VanDerWaalsContact O-CB 3.27Å; F385-N389 WeakPolarHBondContact O-CB 3.47Å; F385-N389 PolarHBondContact O-N 2.88Å; M386-N389 PolarHBondContact O-N 3.17Å; N389-S393 PolarHBondContact O-N 2.71Å; N389-F394 PolarHBondContact O-N 2.98Å; N389-F394 VanDerWaalsContact OD1-CB 3.26Å; N389-F394 WeakPolarHBondContact OD1-CB 3.15Å; N389-V399 HydrophobicContact CB-CG1 3.97Å
390R89.6Confident89Confident47 Ų4734.4 Ų34.418%0.17719%0.194CC..Hα-helixtrans-64.5-50.9174-173.317555.560.57.1111.8E232 M386 F388 A392 S393 E445 E452E232-R390 IonicContact OE1-NH2 2.67Å; E232-R390 PolarHBondContact OE1-NH2 3.42Å; M386-R390 WeakPolarHBondContact O-CB 3.42Å; M386-R390 PolarHBondContact O-N 3.14Å; F388-R390 PolarHBondContact O-N 3.2Å; R390-A392 VanDerWaalsContact C-N 3.34Å; R390-A392 PolarHBondContact O-N 2.94Å; R390-S393 PolarHBondContact O-N 2.91Å; R390-E445 VanDerWaalsContact CD-OE1 3.29Å; R390-E445 WeakPolarHBondContact CD-OE1 3.45Å; R390-E445 IonicContact CZ-OE1 3.03Å; R390-E445 IonicContact CZ-OE2 2.85Å; R390-E445 VanDerWaalsContact CZ-OE2 3.26Å; R390-E445 VanDerWaalsContact NE-CD 3.26Å; R390-E445 IonicContact NE-OE1 3.8Å; R390-E445 PolarHBondContact NE-OE1 3.13Å; R390-E445 IonicContact NE-OE2 3.79Å; R390-E445 PolarHBondContact NE-OE2 3.09Å; R390-E445 IonicContact NH2-OE1 3.59Å; R390-E445 IonicContact NH2-OE2 3.9Å; R390-E445 PolarHBondContact NH2-OE2 3.39Å; R390-E452 WeakPolarHBondContact CD-OE1 3.14Å; R390-E452 VanDerWaalsContact CG-CD 3.47Å; R390-E452 VanDerWaalsContact CG-OE2 3.23Å; R390-E452 WeakPolarHBondContact CG-OE2 3.33Å; R390-E452 IonicContact NH1-OE1 3.44Å
391A87.7Confident88.8Confident31 Ų3133.5 Ų33.526%0.25619%0.193SC..Hα-helixtrans-64.6-34.4179.300000113.8E232 A235 A387 F388 S393E232-A391 HydrophobicContact CB-CB 4.41Å; E232-A391 HydrophobicContact CG-CB 4.2Å; A235-A391 HydrophobicContact CB-CB 3.71Å; A387-A391 VanDerWaalsContact O-CB 3.26Å; A387-A391 WeakPolarHBondContact O-CB 3.49Å; A387-A391 PolarHBondContact O-N 3.43Å; F388-A391 PolarHBondContact O-N 2.97Å; F388-A391 VanDerWaalsContact O-N 3.13Å; A391-S393 VanDerWaalsContact C-N 3.26Å; A391-S393 PolarHBondContact O-N 3.44Å
392A84.5Confident88.5Confident19 Ų1933.5 Ų33.516%0.15719%0.193CC..THydrogen-bonded Turntrans-75.6-12.3173.900000113.2A235 F388 R390 F394A235-A392 HydrophobicContact CB-CB 4.16Å; F388-A392 HydrophobicContact CD1-CB 4.42Å; F388-A392 HydrophobicContact CE1-CB 4.26Å; F388-A392 VanDerWaalsContact O-CB 3.29Å; F388-A392 WeakPolarHBondContact O-CB 3.15Å; F388-A392 PolarHBondContact O-N 2.91Å; R390-A392 VanDerWaalsContact C-N 3.34Å; R390-A392 PolarHBondContact O-N 2.94Å; A392-F394 VanDerWaalsContact C-N 3.26Å; A392-F394 HydrophobicContact CB-CD1 3.74Å; A392-F394 HydrophobicContact CB-CD2 4.04Å; A392-F394 HydrophobicContact CB-CE1 3.76Å; A392-F394 HydrophobicContact CB-CE2 4.04Å; A392-F394 HydrophobicContact CB-CG 3.89Å; A392-F394 HydrophobicContact CB-CZ 3.91Å; A392-F394 PolarHBondContact O-N 3.26Å
393S80.7Confident88.2Confident105 Ų10534.2 Ų34.273%0.73420%0.196SC*.THydrogen-bonded Turntrans57.436.2-173.9-56.80000113.6N389 R390 A391N389-S393 PolarHBondContact O-N 2.71Å; R390-S393 PolarHBondContact O-N 2.91Å; A391-S393 VanDerWaalsContact C-N 3.26Å; A391-S393 PolarHBondContact O-N 3.44Å
394F81.8Confident87.8Confident71 Ų7134.4 Ų34.431%0.31120%0.197SC..  trans-72.5169.7175.5-72.8-9.3000112.3L350 F388 N389 A392 L398L350-F394 HydrophobicContact CD1-CD2 4.16Å; L350-F394 HydrophobicContact CD1-CE2 4.34Å; F388-F394 AromaticContact CE1-CE2 4Å; F388-F394 HydrophobicContact CE1-CE2 4Å; F388-F394 HydrophobicContact CE1-CZ 4.5Å; N389-F394 PolarHBondContact O-N 2.98Å; N389-F394 VanDerWaalsContact OD1-CB 3.26Å; N389-F394 WeakPolarHBondContact OD1-CB 3.15Å; A392-F394 VanDerWaalsContact C-N 3.26Å; A392-F394 HydrophobicContact CB-CD1 3.74Å; A392-F394 HydrophobicContact CB-CD2 4.04Å; A392-F394 HydrophobicContact CB-CE1 3.76Å; A392-F394 HydrophobicContact CB-CE2 4.04Å; A392-F394 HydrophobicContact CB-CG 3.89Å; A392-F394 HydrophobicContact CB-CZ 3.91Å; A392-F394 PolarHBondContact O-N 3.26Å; F394-L398 HydrophobicContact CB-CD1 4.15Å; F394-L398 HydrophobicContact CD2-CD1 4.18Å; F394-L398 HydrophobicContact CG-CD1 4.46Å
395R81.3Confident87.4Confident188 Ų18836.6 Ų36.671%0.70921%0.21SC*.  trans-66129.7-179.1-69.1176.5175.5158.8-2.4110.6G397 L398R395-G397 PolarHBondContact O-N 3.43Å; R395-L398 HydrophobicContact CB-CG 4.46Å; R395-L398 WeakPolarHBondContact O-CG 3.15Å; R395-L398 PolarHBondContact O-N 2.82Å; R395-L398 VanDerWaalsContact O-N 3.09Å
396P81.7Confident87.1Confident41 Ų4144.3 Ų44.327%0.26624%0.239SC..G310 helixtrans-58.5-19.1176.9-28.837.4000115.4L398 V399 L403 V461P396-L398 VanDerWaalsContact C-N 3.25Å; P396-L398 PolarHBondContact O-N 2.95Å; P396-V399 WeakPolarHBondContact O-CG2 3.41Å; P396-V399 PolarHBondContact O-N 3.45Å; P396-L403 HydrophobicContact CB-CD2 4.3Å; P396-V461 HydrophobicContact CB-CG1 4.4Å; P396-V461 HydrophobicContact CG-CG1 4.02Å; P396-V461 HydrophobicContact CG-CG2 4.33Å
397G82.9Confident87Confident45 Ų4544.3 Ų44.346%0.46424%0.239SC..G310 helixtrans-61.2-28.7174.100000114.4N355 R395 V399 S400N355-G397 PolarHBondContact ND2-O 3.24Å; R395-G397 PolarHBondContact O-N 3.43Å; G397-V399 PolarHBondContact O-N 2.85Å; G397-S400 VanDerWaalsContact O-CB 3.31Å; G397-S400 WeakPolarHBondContact O-CB 3.28Å; G397-S400 PolarHBondContact O-N 3.09Å; G397-S400 PolarHBondContact O-OG 3.01Å
398L87.3Confident86.9Confident17 Ų1744.1 Ų44.19%0.08924%0.238CC..G310 helixtrans-64.3-19.9179-59.1-168000113.4L350 E351 Y354 N355 F394 R395 P396L350-L398 HydrophobicContact CB-CD1 4.29Å; E351-L398 WeakPolarHBondContact OE2-CD1 3.47Å; Y354-L398 WeakPolarHBondContact CD1-O 3.49Å; N355-L398 VanDerWaalsContact CG-O 3.32Å; N355-L398 PolarHBondContact ND2-O 2.88Å; N355-L398 VanDerWaalsContact ND2-O 3.12Å; N355-L398 PolarHBondContact OD1-O 2.92Å; F394-L398 HydrophobicContact CB-CD1 4.15Å; F394-L398 HydrophobicContact CD2-CD1 4.18Å; F394-L398 HydrophobicContact CG-CD1 4.46Å; R395-L398 HydrophobicContact CB-CG 4.46Å; R395-L398 WeakPolarHBondContact O-CG 3.15Å; R395-L398 PolarHBondContact O-N 2.82Å; R395-L398 VanDerWaalsContact O-N 3.09Å; P396-L398 VanDerWaalsContact C-N 3.25Å; P396-L398 PolarHBondContact O-N 2.95Å
399V89.9Confident86.8Confident0 Ų048.1 Ų48.10%026%0.256CS..G310 helixtrans-120.620.1-179.9-60.50000113.1L350 Y354 M386 N389 P396 G397 E401 T402 L403L350-V399 HydrophobicContact CD2-CG1 3.68Å; Y354-V399 HydrophobicContact CD1-CB 4.3Å; Y354-V399 HydrophobicContact CD1-CG1 3.97Å; Y354-V399 HydrophobicContact CE1-CB 3.78Å; Y354-V399 HydrophobicContact CE1-CG1 3.7Å; M386-V399 HydrophobicContact CE-CG2 4.13Å; M386-V399 HydrophobicContact CG-CB 4.12Å; M386-V399 HydrophobicContact CG-CG1 4.16Å; M386-V399 HydrophobicContact CG-CG2 4.48Å; N389-V399 HydrophobicContact CB-CG1 3.97Å; P396-V399 WeakPolarHBondContact O-CG2 3.41Å; P396-V399 PolarHBondContact O-N 3.45Å; G397-V399 PolarHBondContact O-N 2.85Å; V399-E401 PolarHBondContact O-N 3.27Å; V399-T402 PolarHBondContact O-N 3.13Å; V399-T402 PolarHBondContact O-OG1 2.72Å; V399-L403 HydrophobicContact CG2-CD2 4.28Å; V399-L403 VanDerWaalsContact O-CB 3.28Å; V399-L403 WeakPolarHBondContact O-CB 3.4Å; V399-L403 PolarHBondContact O-N 3.4Å
400S87.8Confident86.8Confident63 Ų6348.2 Ų48.244%0.44126%0.257SS..THydrogen-bonded Turntrans-60.4-35.1-170.652.40000115.3N355 G397 L403N355-S400 PolarHBondContact ND2-OG 3.34Å; N355-S400 PolarHBondContact OD1-N 3.07Å; N355-S400 PolarHBondContact OD1-OG 3.29Å; G397-S400 VanDerWaalsContact O-CB 3.31Å; G397-S400 WeakPolarHBondContact O-CB 3.28Å; G397-S400 PolarHBondContact O-N 3.09Å; G397-S400 PolarHBondContact O-OG 3.01Å; S400-L403 CarbonylContact O-C 3.32Å; S400-L403 PolarHBondContact O-N 3.1Å
401E89.8Confident86.9Confident39 Ų3946 Ų4618%0.18225%0.248CC..THydrogen-bonded Turntrans-65.4-45.8178.6172.446.4-137.200111.4N355 K362 V399 L403 S404 R406 T407N355-E401 PolarHBondContact OD1-N 3.08Å; N355-E401 VanDerWaalsContact OD1-N 3.11Å; K362-E401 IonicContact NZ-OE1 3.12Å; K362-E401 PolarHBondContact NZ-OE1 3.29Å; V399-E401 PolarHBondContact O-N 3.27Å; E401-L403 PolarHBondContact O-N 3.16Å; E401-S404 PolarHBondContact O-OG 3.04Å; E401-R406 IonicContact OE1-NH2 3.48Å; E401-R406 IonicContact OE2-NH2 3.91Å; E401-R406 PolarHBondContact OE2-NH2 3.09Å; E401-T407 PolarHBondContact O-OG1 3.31Å
402T88.8Confident87Confident0 Ų045.1 Ų45.10%024%0.239CC..THydrogen-bonded Turntrans-69.8-22.2174.446.20000113Y354 M358 L382 M386 V399 S404 T407 L446Y354-T402 HydrophobicContact CE1-CG2 4.17Å; Y354-T402 VanDerWaalsContact CE1-OG1 3.3Å; Y354-T402 WeakPolarHBondContact CE1-OG1 3.22Å; Y354-T402 VanDerWaalsContact OH-CG2 3.25Å; Y354-T402 WeakPolarHBondContact OH-CG2 3.42Å; Y354-T402 PolarHBondContact OH-OG1 3.41Å; M358-T402 HydrophobicContact CB-CG2 4.13Å; M358-T402 HydrophobicContact CE-CG2 3.89Å; M358-T402 HydrophobicContact CG-CG2 4.4Å; L382-T402 HydrophobicContact CD1-CG2 3.76Å; L382-T402 HydrophobicContact CG-CG2 3.9Å; M386-T402 PolarHBondContact SD-OG1 3.09Å; V399-T402 PolarHBondContact O-N 3.13Å; V399-T402 PolarHBondContact O-OG1 2.72Å; T402-S404 PolarHBondContact O-N 2.95Å; T402-T407 VanDerWaalsContact O-CB 3.25Å; T402-T407 WeakPolarHBondContact O-CB 3.17Å; T402-T407 WeakPolarHBondContact O-CG2 3.42Å; T402-L446 VanDerWaalsContact O-CD2 3.31Å; T402-L446 WeakPolarHBondContact O-CD2 3.48Å
403L88.1Confident87.2Confident15 Ų1548.5 Ų48.58%0.07925%0.251CS..THydrogen-bonded Turntrans-8933.4-179.5-166.351.9000112.8M386 P396 V399 S400 E401 T449 V450 M453 I468M386-L403 HydrophobicContact CE-CB 4.47Å; M386-L403 HydrophobicContact CE-CD1 4.13Å; P396-L403 HydrophobicContact CB-CD2 4.3Å; V399-L403 HydrophobicContact CG2-CD2 4.28Å; V399-L403 VanDerWaalsContact O-CB 3.28Å; V399-L403 WeakPolarHBondContact O-CB 3.4Å; V399-L403 PolarHBondContact O-N 3.4Å; S400-L403 CarbonylContact O-C 3.32Å; S400-L403 PolarHBondContact O-N 3.1Å; E401-L403 PolarHBondContact O-N 3.16Å; L403-T449 HydrophobicContact CD1-CG2 3.82Å; L403-T449 HydrophobicContact CD2-CG2 3.94Å; L403-V450 HydrophobicContact CD1-CG2 3.71Å; L403-M453 HydrophobicContact CD1-SD 3.81Å; L403-M453 HydrophobicContact CD2-CE 3.79Å; L403-M453 HydrophobicContact CD2-SD 3.69Å; L403-M453 HydrophobicContact CG-CE 4.18Å; L403-M453 HydrophobicContact CG-SD 4.02Å; L403-I468 WeakPolarHBondContact O-CD1 3.46Å
404S85.8Confident87.7Confident22 Ų2244.1 Ų44.115%0.15422%0.22CC..SBendtrans-114154.3-178.168.80000112.8E401 T402 R406 T407 F408E401-S404 PolarHBondContact O-OG 3.04Å; T402-S404 PolarHBondContact O-N 2.95Å; S404-R406 PolarHBondContact O-N 3.5Å; S404-T407 WeakPolarHBondContact O-CB 3.24Å; S404-T407 PolarHBondContact O-N 3.03Å; S404-T407 PolarHBondContact OG-OG1 2.91Å; S404-F408 PolarHBondContact O-N 3.39Å; S404-F408 VanDerWaalsContact O-N 3.1Å
405V86.8Confident88.1Confident54 Ų5440.8 Ų40.833%0.32721%0.205SC..Hα-helixtrans-58.6-37.9179.3-178.40000111.4T407 F408 H409 I468 N471V405-T407 VanDerWaalsContact C-N 3.25Å; V405-T407 PolarHBondContact O-N 3.49Å; V405-F408 WeakPolarHBondContact O-CB 3.35Å; V405-F408 PolarHBondContact O-N 2.91Å; V405-F408 VanDerWaalsContact O-N 3.16Å; V405-H409 PolarHBondContact O-N 3.09Å; V405-I468 HydrophobicContact CG2-CG1 4.24Å; V405-N471 HydrophobicContact CG1-CB 4.42Å
406R87.3Confident88.4Confident162 Ų16234.2 Ų34.261%0.61119%0.186SC*.Hα-helixtrans-53.9-41.3172.5-59.6178.2-59.9165.87111.9E401 S404 F410E401-R406 IonicContact OE1-NH2 3.48Å; E401-R406 IonicContact OE2-NH2 3.91Å; E401-R406 PolarHBondContact OE2-NH2 3.09Å; S404-R406 PolarHBondContact O-N 3.5Å; R406-F410 WeakPolarHBondContact O-CB 3.5Å; R406-F410 PolarHBondContact O-N 3.42Å
407T90.1Very high88.8Confident0 Ų035.8 Ų35.80%019%0.192CC..Hα-helixtrans-73.8-40178-53.70000111.6K362 L382 E401 T402 S404 V405 H409 F410 I411K362-T407 PolarHBondContact NZ-OG1 3.07Å; L382-T407 HydrophobicContact CD1-CG2 3.84Å; E401-T407 PolarHBondContact O-OG1 3.31Å; T402-T407 VanDerWaalsContact O-CB 3.25Å; T402-T407 WeakPolarHBondContact O-CB 3.17Å; T402-T407 WeakPolarHBondContact O-CG2 3.42Å; S404-T407 WeakPolarHBondContact O-CB 3.24Å; S404-T407 PolarHBondContact O-N 3.03Å; S404-T407 PolarHBondContact OG-OG1 2.91Å; V405-T407 VanDerWaalsContact C-N 3.25Å; V405-T407 PolarHBondContact O-N 3.49Å; T407-H409 VanDerWaalsContact C-N 3.28Å; T407-H409 PolarHBondContact O-N 2.79Å; T407-F410 PolarHBondContact O-N 2.92Å; T407-I411 HydrophobicContact CG2-CG1 4.33Å; T407-I411 VanDerWaalsContact O-CG1 3.32Å; T407-I411 WeakPolarHBondContact O-CG1 3.26Å; T407-I411 PolarHBondContact O-N 3.47Å
408F89.4Confident89.2Confident1 Ų133.7 Ų33.70%0.00417%0.17CC..Hα-helixtrans-55.7-42.9172.3-88.9-86.1000112.5S404 V405 E412 Y443 L446 L447 V450 I468 I472 Y478S404-F408 PolarHBondContact O-N 3.39Å; S404-F408 VanDerWaalsContact O-N 3.1Å; V405-F408 WeakPolarHBondContact O-CB 3.35Å; V405-F408 PolarHBondContact O-N 2.91Å; V405-F408 VanDerWaalsContact O-N 3.16Å; F408-E412 PolarHBondContact O-N 3.23Å; F408-E412 VanDerWaalsContact O-N 3.13Å; F408-Y443 AromaticContact CD1-CE2 3.87Å; F408-Y443 HydrophobicContact CD1-CE2 3.87Å; F408-Y443 HydrophobicContact CE1-CE2 4.48Å; F408-L446 HydrophobicContact CD1-CB 4.44Å; F408-L446 HydrophobicContact CD1-CD1 4.15Å; F408-L446 HydrophobicContact CD2-CD1 4.49Å; F408-L446 HydrophobicContact CE1-CB 3.67Å; F408-L446 HydrophobicContact CE1-CD1 4.21Å; F408-L446 HydrophobicContact CE1-CG 4.5Å; F408-L446 HydrophobicContact CE2-CB 4.24Å; F408-L446 HydrophobicContact CE2-CD2 4.31Å; F408-L446 HydrophobicContact CG-CD1 4.31Å; F408-L446 HydrophobicContact CZ-CB 3.58Å; F408-L446 HydrophobicContact CZ-CD1 4.42Å; F408-L446 HydrophobicContact CZ-CD2 4.47Å; F408-L446 HydrophobicContact CZ-CG 4.38Å; F408-L447 HydrophobicContact CE1-CD2 4.09Å; F408-V450 HydrophobicContact CE2-CG2 4.08Å; F408-V450 HydrophobicContact CZ-CG2 3.87Å; F408-I468 HydrophobicContact CD2-CG2 4.02Å; F408-I468 HydrophobicContact CE2-CG2 3.54Å; F408-I468 HydrophobicContact CZ-CG2 3.99Å; F408-I472 HydrophobicContact CD1-CD1 3.55Å; F408-I472 HydrophobicContact CD1-CG1 4.19Å; F408-I472 HydrophobicContact CD2-CD1 4.32Å; F408-I472 HydrophobicContact CE1-CD1 3.34Å; F408-I472 HydrophobicContact CE1-CG1 4.43Å; F408-I472 HydrophobicContact CE2-CD1 4.15Å; F408-I472 HydrophobicContact CG-CD1 4.03Å; F408-I472 HydrophobicContact CZ-CD1 3.65Å; F408-Y478 HydrophobicContact CB-CE1 4.49Å
409H90.4Very high89.1Confident85 Ų8533.5 Ų33.539%0.39417%0.168SC..Hα-helixtrans-70.1-42.9177.2-169.248.4000112.1V405 T407 I411 E412 Q413 Y478V405-H409 PolarHBondContact O-N 3.09Å; T407-H409 VanDerWaalsContact C-N 3.28Å; T407-H409 PolarHBondContact O-N 2.79Å; H409-I411 VanDerWaalsContact C-N 3.32Å; H409-I411 PolarHBondContact O-N 3.3Å; H409-E412 IonicContact ND1-OE2 3.59Å; H409-E412 PolarHBondContact ND1-OE2 2.97Å; H409-E412 WeakPolarHBondContact O-CB 3.47Å; H409-E412 PolarHBondContact O-N 2.77Å; H409-E412 VanDerWaalsContact O-N 3.07Å; H409-Q413 PolarHBondContact CD2-NE2 2.88Å; H409-Q413 VanDerWaalsContact CD2-NE2 3.29Å; H409-Q413 PolarHBondContact NE2-NE2 3.49Å; H409-Q413 WeakPolarHBondContact O-CG 3.26Å; H409-Q413 PolarHBondContact O-N 3.18Å; H409-Y478 WeakPolarHBondContact CA-OH 3.48Å; H409-Y478 PolarHBondContact N-OH 3.07Å
410F90.9Very high89Confident7 Ų738.3 Ų38.33%0.03119%0.191CC..Hα-helixtrans-57.1-41.2174.7179.7-103.8000112.8L365 L366 Y378 M379 R406 T407 N414L365-F410 HydrophobicContact CB-CZ 4.37Å; L366-F410 HydrophobicContact CD2-CD2 3.95Å; L366-F410 HydrophobicContact CD2-CE2 3.86Å; L366-F410 HydrophobicContact CG-CD2 4.49Å; L366-F410 HydrophobicContact CG-CE2 4.19Å; Y378-F410 AromaticContact CD1-CE1 3.89Å; Y378-F410 HydrophobicContact CD1-CE1 3.89Å; Y378-F410 HydrophobicContact CE1-CD1 4.02Å; Y378-F410 AromaticContact CE1-CE1 3.74Å; Y378-F410 HydrophobicContact CE1-CE1 3.74Å; M379-F410 HydrophobicContact CE-CE1 4Å; R406-F410 WeakPolarHBondContact O-CB 3.5Å; R406-F410 PolarHBondContact O-N 3.42Å; T407-F410 PolarHBondContact O-N 2.92Å; F410-N414 WeakPolarHBondContact CE2-ND2 3.46Å; F410-N414 WeakPolarHBondContact CZ-ND2 3.3Å; F410-N414 PolarHBondContact O-N 3.05Å; F410-N414 VanDerWaalsContact O-N 3.13Å; F410-N414 PolarHBondContact O-ND2 2.98Å
411I91.8Very high88.9Confident0 Ų038.3 Ų38.30%019%0.185CC..Hα-helixtrans-68.5-37.5175.5-57.7-62.3000111.2Y378 M379 L382 T407 H409 L415 A439 A442 Y443 L446Y378-I411 HydrophobicContact CE1-CD1 4.34Å; M379-I411 HydrophobicContact CE-CD1 4.02Å; M379-I411 HydrophobicContact SD-CD1 3.33Å; M379-I411 WeakPolarHBondContact SD-CD1 3.22Å; L382-I411 HydrophobicContact CD1-CD1 4.13Å; L382-I411 HydrophobicContact CD1-CG1 4.49Å; T407-I411 HydrophobicContact CG2-CG1 4.33Å; T407-I411 VanDerWaalsContact O-CG1 3.32Å; T407-I411 WeakPolarHBondContact O-CG1 3.26Å; T407-I411 PolarHBondContact O-N 3.47Å; H409-I411 VanDerWaalsContact C-N 3.32Å; H409-I411 PolarHBondContact O-N 3.3Å; I411-L415 WeakPolarHBondContact O-CB 3.39Å; I411-L415 PolarHBondContact O-N 3.25Å; I411-A439 HydrophobicContact CG2-CB 4.4Å; I411-A439 WeakPolarHBondContact CG2-O 3.31Å; I411-A442 HydrophobicContact CD1-CB 4.11Å; I411-A442 HydrophobicContact CG2-CB 4.3Å; I411-Y443 HydrophobicContact CB-CD2 4.36Å; I411-Y443 HydrophobicContact CG2-CD2 3.94Å; I411-Y443 HydrophobicContact CG2-CG 4.47Å; I411-L446 HydrophobicContact CG1-CD1 3.94Å
412E89.7Confident88.7Confident13 Ų1337.1 Ų37.16%0.06118%0.179CC..Hα-helixtrans-65.9-45.4175.4178.1179.6-126.100112.7F408 H409 L415 T416 Y478F408-E412 PolarHBondContact O-N 3.23Å; F408-E412 VanDerWaalsContact O-N 3.13Å; H409-E412 IonicContact ND1-OE2 3.59Å; H409-E412 PolarHBondContact ND1-OE2 2.97Å; H409-E412 WeakPolarHBondContact O-CB 3.47Å; H409-E412 PolarHBondContact O-N 2.77Å; H409-E412 VanDerWaalsContact O-N 3.07Å; E412-L415 PolarHBondContact O-N 3.15Å; E412-T416 WeakPolarHBondContact O-CB 3.24Å; E412-T416 PolarHBondContact O-N 3.38Å; E412-T416 PolarHBondContact O-OG1 2.94Å; E412-Y478 HydrophobicContact CB-CD1 4.22Å; E412-Y478 HydrophobicContact CB-CE1 3.81Å; E412-Y478 HydrophobicContact CG-CD1 4.2Å; E412-Y478 HydrophobicContact CG-CE1 4.15Å; E412-Y478 WeakPolarHBondContact OE1-CA 3.43Å; E412-Y478 WeakPolarHBondContact OE1-CD1 3.2Å; E412-Y478 PolarHBondContact OE1-N 3.26Å; E412-Y478 WeakPolarHBondContact OE2-CE1 3.38Å
413Q89.7Confident88.4Confident90 Ų9040.9 Ų40.942%0.42120%0.199SC..Hα-helixtrans-56.2-54.3175.1-74.2179.8-12.500110.7H409 L415 T416 N417H409-Q413 PolarHBondContact CD2-NE2 2.88Å; H409-Q413 VanDerWaalsContact CD2-NE2 3.29Å; H409-Q413 PolarHBondContact NE2-NE2 3.49Å; H409-Q413 WeakPolarHBondContact O-CG 3.26Å; H409-Q413 PolarHBondContact O-N 3.18Å; Q413-L415 PolarHBondContact O-N 3.2Å; Q413-T416 PolarHBondContact O-N 3.01Å; Q413-N417 WeakPolarHBondContact O-CB 3.17Å; Q413-N417 PolarHBondContact O-N 3.05Å
414N89.7Confident88.3Confident14 Ų1445.1 Ų45.18%0.07523%0.226CC..Hα-helixtrans-62.4-42.4179.6-75.2-68.1000111.9M379 F410 T416 N417 Y418M379-N414 HydrophobicContact CE-CB 3.71Å; F410-N414 WeakPolarHBondContact CE2-ND2 3.46Å; F410-N414 WeakPolarHBondContact CZ-ND2 3.3Å; F410-N414 PolarHBondContact O-N 3.05Å; F410-N414 VanDerWaalsContact O-N 3.13Å; F410-N414 PolarHBondContact O-ND2 2.98Å; N414-T416 VanDerWaalsContact C-N 3.27Å; N414-T416 PolarHBondContact O-N 3.05Å; N414-N417 PolarHBondContact O-N 2.76Å; N414-Y418 HydrophobicContact CB-CE2 3.96Å; N414-Y418 WeakPolarHBondContact O-CD2 3.5Å; N414-Y418 PolarHBondContact O-N 2.72Å
415L90.1Very high88.4Confident1 Ų146.1 Ų46.11%0.00523%0.229CC..Hα-helixtrans-63.7-30.9177.3-17857.8000113.1I411 E412 Q413 Y419 M436 A439 L481 L485I411-L415 WeakPolarHBondContact O-CB 3.39Å; I411-L415 PolarHBondContact O-N 3.25Å; E412-L415 PolarHBondContact O-N 3.15Å; Q413-L415 PolarHBondContact O-N 3.2Å; L415-Y419 WeakPolarHBondContact O-CB 3.33Å; L415-Y419 PolarHBondContact O-N 3.05Å; L415-M436 HydrophobicContact CD1-CB 4.5Å; L415-M436 HydrophobicContact CD1-CG 3.63Å; L415-M436 WeakPolarHBondContact CD1-O 3.15Å; L415-A439 HydrophobicContact CB-CB 4.16Å; L415-A439 HydrophobicContact CD1-CB 4.17Å; L415-L481 HydrophobicContact CD2-CD1 3.98Å; L415-L481 HydrophobicContact CD2-CD2 4.04Å; L415-L481 HydrophobicContact CD2-CG 4.4Å; L415-L481 HydrophobicContact CG-CD1 4.28Å; L415-L485 HydrophobicContact CD2-CD1 4.44Å
416T89Confident88.1Confident50 Ų5053.9 Ų53.931%0.30725%0.253SS..Hα-helixtrans-75.2-49.1174.8-54.80000110.7E412 Q413 N414 Y418 Y419 E420E412-T416 WeakPolarHBondContact O-CB 3.24Å; E412-T416 PolarHBondContact O-N 3.38Å; E412-T416 PolarHBondContact O-OG1 2.94Å; Q413-T416 PolarHBondContact O-N 3.01Å; N414-T416 VanDerWaalsContact C-N 3.27Å; N414-T416 PolarHBondContact O-N 3.05Å; T416-Y418 PolarHBondContact O-N 3.47Å; T416-Y419 WeakPolarHBondContact O-CA 3.46Å; T416-Y419 WeakPolarHBondContact O-CB 3.11Å; T416-Y419 PolarHBondContact O-N 3.01Å; T416-E420 PolarHBondContact O-N 3.24Å
417N90.1Very high87.7Confident73 Ų7355 Ų5539%0.3926%0.262SS..Hα-helixtrans-54.3-51.2174.1177.819000112.1Q413 N414 Y419 E420 M421Q413-N417 WeakPolarHBondContact O-CB 3.17Å; Q413-N417 PolarHBondContact O-N 3.05Å; N414-N417 PolarHBondContact O-N 2.76Å; N417-Y419 PolarHBondContact O-N 3.3Å; N417-E420 PolarHBondContact O-N 3.14Å; N417-E420 VanDerWaalsContact O-N 3.13Å; N417-M421 WeakPolarHBondContact O-CB 3.42Å; N417-M421 WeakPolarHBondContact O-CG 3.2Å; N417-M421 PolarHBondContact O-N 3.07Å; N417-M421 VanDerWaalsContact OD1-CG 3.26Å; N417-M421 WeakPolarHBondContact OD1-CG 3.38Å
418Y89.9Confident87.3Confident2 Ų258.7 Ų58.71%0.00828%0.279CS..Hα-helixtrans-59.8-33.8176.7-55.9-34.8000113.2E375 N414 T416 M422 W432 R435 A439E375-Y418 VanDerWaalsContact CD-OH 3.26Å; E375-Y418 WeakPolarHBondContact CG-OH 3.48Å; E375-Y418 WeakPolarHBondContact OE1-CE1 3.18Å; E375-Y418 PolarHBondContact OE1-OH 3.08Å; N414-Y418 HydrophobicContact CB-CE2 3.96Å; N414-Y418 WeakPolarHBondContact O-CD2 3.5Å; N414-Y418 PolarHBondContact O-N 2.72Å; T416-Y418 PolarHBondContact O-N 3.47Å; Y418-M422 VanDerWaalsContact O-CB 3.24Å; Y418-M422 WeakPolarHBondContact O-CB 3.46Å; Y418-M422 PolarHBondContact O-N 3.49Å; Y418-W432 AromaticContact CD1-CE3 3.86Å; Y418-W432 HydrophobicContact CD1-CE3 3.86Å; Y418-W432 AromaticContact CD1-CZ3 3.87Å; Y418-W432 HydrophobicContact CD1-CZ3 3.87Å; Y418-W432 HydrophobicContact CE1-CZ3 4.32Å; Y418-R435 HydrophobicContact CD1-CB 3.82Å; Y418-R435 HydrophobicContact CD2-CB 3.85Å; Y418-R435 HydrophobicContact CE1-CB 3.83Å; Y418-R435 HydrophobicContact CE1-CG 4.43Å; Y418-R435 HydrophobicContact CE2-CB 3.86Å; Y418-R435 HydrophobicContact CG-CB 3.81Å; Y418-A439 HydrophobicContact CD2-CB 4.17Å; Y418-A439 HydrophobicContact CE2-CB 3.79Å
419Y85.9Confident87Confident12 Ų1259.2 Ų59.25%0.04728%0.284CS..Hα-helixtrans-70.5-39.3178.5171-95.5000111.4L415 T416 N417 M422 L423 M436 K488L415-Y419 WeakPolarHBondContact O-CB 3.33Å; L415-Y419 PolarHBondContact O-N 3.05Å; T416-Y419 WeakPolarHBondContact O-CA 3.46Å; T416-Y419 WeakPolarHBondContact O-CB 3.11Å; T416-Y419 PolarHBondContact O-N 3.01Å; N417-Y419 PolarHBondContact O-N 3.3Å; Y419-M422 HydrophobicContact CD2-CE 3.86Å; Y419-M422 HydrophobicContact CE2-CE 3.8Å; Y419-L423 HydrophobicContact CE1-CD1 3.9Å; Y419-L423 HydrophobicContact CE1-CG 4.37Å; Y419-L423 WeakPolarHBondContact OH-CD1 3.2Å; Y419-M436 HydrophobicContact CD2-CE 3.72Å; Y419-M436 HydrophobicContact CD2-SD 4.39Å; Y419-M436 HydrophobicContact CG-CE 4.25Å; Y419-K488 HydrophobicContact CE1-CD 4.11Å; Y419-K488 HydrophobicContact CE2-CB 3.68Å; Y419-K488 HydrophobicContact CE2-CD 4.35Å; Y419-K488 HydrophobicContact CE2-CG 4.4Å; Y419-K488 VanDerWaalsContact OH-CB 3.25Å; Y419-K488 WeakPolarHBondContact OH-CB 3.45Å; Y419-K488 WeakPolarHBondContact OH-CD 3.22Å; Y419-K488 WeakPolarHBondContact OH-CE 3.31Å; Y419-K488 WeakPolarHBondContact OH-CG 3.48Å; Y419-K488 PolarHBondContact OH-NZ 3.03Å
420E88.3Confident86.6Confident101 Ų10158 Ų5847%0.47229%0.288SS..Hα-helixtrans-72.5-44.3176.6-77.6154.9-177.800111.7T416 N417 M422 L423 T424T416-E420 PolarHBondContact O-N 3.24Å; N417-E420 PolarHBondContact O-N 3.14Å; N417-E420 VanDerWaalsContact O-N 3.13Å; E420-M422 VanDerWaalsContact C-N 3.25Å; E420-M422 PolarHBondContact O-N 3.42Å; E420-L423 WeakPolarHBondContact O-CA 3.49Å; E420-L423 WeakPolarHBondContact O-CB 3.35Å; E420-L423 PolarHBondContact O-N 2.99Å; E420-T424 PolarHBondContact O-N 2.74Å; E420-T424 PolarHBondContact O-OG1 2.59Å
421M86.2Confident86.3Confident63 Ų6358.5 Ų58.531%0.3129%0.293SS..Hα-helixtrans-61.1-31172.6-68.4-60.1-69.200113N417 L423 T424 D425 W432N417-M421 WeakPolarHBondContact O-CB 3.42Å; N417-M421 WeakPolarHBondContact O-CG 3.2Å; N417-M421 PolarHBondContact O-N 3.07Å; N417-M421 VanDerWaalsContact OD1-CG 3.26Å; N417-M421 WeakPolarHBondContact OD1-CG 3.38Å; M421-L423 VanDerWaalsContact C-N 3.26Å; M421-L423 PolarHBondContact O-N 3.4Å; M421-T424 WeakPolarHBondContact CA-OG1 3.19Å; M421-D425 WeakPolarHBondContact O-CA 3.38Å; M421-D425 WeakPolarHBondContact O-CB 3.35Å; M421-D425 PolarHBondContact O-N 3Å; M421-W432 HydrophobicContact CB-CD2 3.68Å; M421-W432 HydrophobicContact CB-CE3 3.98Å; M421-W432 HydrophobicContact CB-CG 4.04Å; M421-W432 HydrophobicContact CB-CH2 4.45Å; M421-W432 HydrophobicContact CB-CZ2 4.19Å; M421-W432 HydrophobicContact CB-CZ3 4.35Å; M421-W432 HydrophobicContact CE-CH2 4.39Å; M421-W432 HydrophobicContact CE-CZ2 3.8Å; M421-W432 HydrophobicContact CG-CH2 4.49Å; M421-W432 HydrophobicContact CG-CZ2 4.47Å
422M85.4Confident86.1Confident14 Ų1460.4 Ų60.47%0.06930%0.3CS..Hα-helixtrans-66.7-24.1171.3-172.6-171.668.800113.1Y418 Y419 E420 A429 W432 A433 M436 Q494Y418-M422 VanDerWaalsContact O-CB 3.24Å; Y418-M422 WeakPolarHBondContact O-CB 3.46Å; Y418-M422 PolarHBondContact O-N 3.49Å; Y419-M422 HydrophobicContact CD2-CE 3.86Å; Y419-M422 HydrophobicContact CE2-CE 3.8Å; E420-M422 VanDerWaalsContact C-N 3.25Å; E420-M422 PolarHBondContact O-N 3.42Å; M422-A429 HydrophobicContact CG-CB 4.02Å; M422-W432 HydrophobicContact CB-CB 3.85Å; M422-W432 HydrophobicContact CG-CB 4.43Å; M422-A433 HydrophobicContact SD-CB 3.94Å; M422-M436 HydrophobicContact CE-SD 4.47Å; M422-M436 HydrophobicContact SD-SD 4.33Å; M422-Q494 HydrophobicContact SD-CG 4.41Å
423L82.3Confident86Confident80 Ų8059.9 Ų59.942%0.41930%0.297SS..Hα-helixtrans-85.6-44.3176.2-64.1-179.3000112.9Y419 E420 M421 R426Y419-L423 HydrophobicContact CE1-CD1 3.9Å; Y419-L423 HydrophobicContact CE1-CG 4.37Å; Y419-L423 WeakPolarHBondContact OH-CD1 3.2Å; E420-L423 WeakPolarHBondContact O-CA 3.49Å; E420-L423 WeakPolarHBondContact O-CB 3.35Å; E420-L423 PolarHBondContact O-N 2.99Å; M421-L423 VanDerWaalsContact C-N 3.26Å; M421-L423 PolarHBondContact O-N 3.4Å; L423-R426 WeakPolarHBondContact O-CG 3.27Å
424T86.4Confident85.7Confident104 Ų10461.1 Ų61.164%0.63830%0.298SS*.Hα-helixtrans-75.6-56.4-176.855.60000110.1E420 M421 R426E420-T424 PolarHBondContact O-N 2.74Å; E420-T424 PolarHBondContact O-OG1 2.59Å; M421-T424 WeakPolarHBondContact CA-OG1 3.19Å; T424-R426 PolarHBondContact O-N 3.16Å
425D87.2Confident85.8Confident43 Ų4363.5 Ų63.523%0.2331%0.306CS..  trans-83.880.2175.5-178.511.9000111.8M421 K427 E428 A429 W432M421-D425 WeakPolarHBondContact O-CA 3.38Å; M421-D425 WeakPolarHBondContact O-CB 3.35Å; M421-D425 PolarHBondContact O-N 3Å; D425-K427 PolarHBondContact O-N 2.76Å; D425-K427 VanDerWaalsContact O-N 3.15Å; D425-K427 WeakPolarHBondContact OD1-CA 3.3Å; D425-K427 VanDerWaalsContact OD1-CB 3.26Å; D425-K427 WeakPolarHBondContact OD1-CB 3.46Å; D425-K427 PolarHBondContact OD1-N 3.42Å; D425-E428 PolarHBondContact OD1-N 2.8Å; D425-E428 VanDerWaalsContact OD1-N 3.12Å; D425-E428 WeakPolarHBondContact OD2-CB 3.13Å; D425-A429 PolarHBondContact O-N 3.4Å; D425-W432 PolarHBondContact OD2-NE1 2.83Å; D425-W432 VanDerWaalsContact OD2-NE1 3.13Å
426R80Confident85.8Confident216 Ų21663.4 Ų63.482%0.81531%0.306SS*.THydrogen-bonded Turntrans-67.2-4.3172.1-59.8-176.1-177.8178.41.2114.1L423 T424L423-R426 WeakPolarHBondContact O-CG 3.27Å; T424-R426 PolarHBondContact O-N 3.16Å
427K79.9Confident85.9Confident186 Ų18662 Ų6281%0.80930%0.296SS*.THydrogen-bonded Turntrans-84.3-52.4176-58.5173.5-176.6168.60110D425D425-K427 PolarHBondContact O-N 2.76Å; D425-K427 VanDerWaalsContact O-N 3.15Å; D425-K427 WeakPolarHBondContact OD1-CA 3.3Å; D425-K427 VanDerWaalsContact OD1-CB 3.26Å; D425-K427 WeakPolarHBondContact OD1-CB 3.46Å; D425-K427 PolarHBondContact OD1-N 3.42Å
428E81.8Confident85.9Confident78 Ų7860.4 Ų60.436%0.36429%0.287SS..THydrogen-bonded Turntrans-99.719.2178.9-69.6-60130.700114.2D425 A430 S431 W432D425-E428 PolarHBondContact OD1-N 2.8Å; D425-E428 VanDerWaalsContact OD1-N 3.12Å; D425-E428 WeakPolarHBondContact OD2-CB 3.13Å; E428-A430 PolarHBondContact O-N 3.26Å; E428-S431 WeakPolarHBondContact O-CA 3.3Å; E428-S431 WeakPolarHBondContact O-CB 3.25Å; E428-S431 PolarHBondContact O-N 3.17Å; E428-S431 WeakPolarHBondContact OE2-CB 3.26Å; E428-S431 PolarHBondContact OE2-OG 3.01Å; E428-W432 VanDerWaalsContact O-CD1 3.27Å; E428-W432 PolarHBondContact O-N 3.4Å
429A83.3Confident86.1Confident12 Ų1260.3 Ų60.310%0.09929%0.287CS..Hα-helixtrans-50-28.8174.200000114.7M422 D425 A433M422-A429 HydrophobicContact CG-CB 4.02Å; D425-A429 PolarHBondContact O-N 3.4Å; A429-A433 WeakPolarHBondContact O-CB 3.45Å; A429-A433 PolarHBondContact O-N 2.88Å
430A81.6Confident86.4Confident58 Ų5859.7 Ų59.748%0.47928%0.284SS..Hα-helixtrans-77.5-18.3174.100000114E428 R434E428-A430 PolarHBondContact O-N 3.26Å; A430-R434 WeakPolarHBondContact O-CG 3.34Å; A430-R434 PolarHBondContact O-NE 3.13Å
431S84.4Confident86.5Confident18 Ų1858.5 Ų58.513%0.12628%0.278CS..Hα-helixtrans-86.6-45.1170.9-58.40000110.2E428 A433 R434 R435E428-S431 WeakPolarHBondContact O-CA 3.3Å; E428-S431 WeakPolarHBondContact O-CB 3.25Å; E428-S431 PolarHBondContact O-N 3.17Å; E428-S431 WeakPolarHBondContact OE2-CB 3.26Å; E428-S431 PolarHBondContact OE2-OG 3.01Å; S431-A433 VanDerWaalsContact C-N 3.34Å; S431-A433 PolarHBondContact O-N 3.45Å; S431-R434 WeakPolarHBondContact O-CA 3.44Å; S431-R434 WeakPolarHBondContact O-CB 3.49Å; S431-R434 PolarHBondContact O-N 3.38Å; S431-R434 PolarHBondContact OG-NH2 3.34Å; S431-R435 PolarHBondContact O-N 2.97Å; S431-R435 VanDerWaalsContact O-N 3.07Å
432W88Confident86.9Confident41 Ų4155.5 Ų55.516%0.15526%0.263CS..Hα-helixtrans-58-42.6171.4-63.5119.6000112.4Y418 M421 M422 D425 E428 R434 R435 M436Y418-W432 AromaticContact CD1-CE3 3.86Å; Y418-W432 HydrophobicContact CD1-CE3 3.86Å; Y418-W432 AromaticContact CD1-CZ3 3.87Å; Y418-W432 HydrophobicContact CD1-CZ3 3.87Å; Y418-W432 HydrophobicContact CE1-CZ3 4.32Å; M421-W432 HydrophobicContact CB-CD2 3.68Å; M421-W432 HydrophobicContact CB-CE3 3.98Å; M421-W432 HydrophobicContact CB-CG 4.04Å; M421-W432 HydrophobicContact CB-CH2 4.45Å; M421-W432 HydrophobicContact CB-CZ2 4.19Å; M421-W432 HydrophobicContact CB-CZ3 4.35Å; M421-W432 HydrophobicContact CE-CH2 4.39Å; M421-W432 HydrophobicContact CE-CZ2 3.8Å; M421-W432 HydrophobicContact CG-CH2 4.49Å; M421-W432 HydrophobicContact CG-CZ2 4.47Å; M422-W432 HydrophobicContact CB-CB 3.85Å; M422-W432 HydrophobicContact CG-CB 4.43Å; D425-W432 PolarHBondContact OD2-NE1 2.83Å; D425-W432 VanDerWaalsContact OD2-NE1 3.13Å; E428-W432 VanDerWaalsContact O-CD1 3.27Å; E428-W432 PolarHBondContact O-N 3.4Å; W432-R434 PolarHBondContact O-N 2.88Å; W432-R435 VanDerWaalsContact CH2-NH1 3.31Å; W432-R435 PolarHBondContact O-N 3.3Å; W432-M436 VanDerWaalsContact O-CB 3.25Å; W432-M436 WeakPolarHBondContact O-CB 3.29Å; W432-M436 PolarHBondContact O-N 3.33Å
433A86.6Confident87.3Confident1 Ų154.9 Ų54.91%0.00826%0.259CS..Hα-helixtrans-61.3-25.2172.900000114.2M422 A429 S431 H437 C493 Q494M422-A433 HydrophobicContact SD-CB 3.94Å; A429-A433 WeakPolarHBondContact O-CB 3.45Å; A429-A433 PolarHBondContact O-N 2.88Å; S431-A433 VanDerWaalsContact C-N 3.34Å; S431-A433 PolarHBondContact O-N 3.45Å; A433-H437 PolarHBondContact O-N 3.49Å; A433-C493 HydrophobicContact CB-CB 4.42Å; A433-C493 WeakPolarHBondContact CB-O 3.49Å; A433-Q494 HydrophobicContact CB-CG 4.08Å
434R84.6Confident87.8Confident117 Ų11753 Ų5344%0.44225%0.249SC..Hα-helixtrans-78-44.8173.9-74.2178-73.9159.90.9111.5A430 S431 W432 M436 H437 L438A430-R434 WeakPolarHBondContact O-CG 3.34Å; A430-R434 PolarHBondContact O-NE 3.13Å; S431-R434 WeakPolarHBondContact O-CA 3.44Å; S431-R434 WeakPolarHBondContact O-CB 3.49Å; S431-R434 PolarHBondContact O-N 3.38Å; S431-R434 PolarHBondContact OG-NH2 3.34Å; W432-R434 PolarHBondContact O-N 2.88Å; R434-M436 VanDerWaalsContact C-N 3.34Å; R434-M436 PolarHBondContact O-N 3.43Å; R434-H437 PolarHBondContact O-N 3.32Å; R434-H437 VanDerWaalsContact O-N 3.13Å; R434-L438 PolarHBondContact O-N 3.25Å; R434-L438 VanDerWaalsContact O-N 3.14Å
435R90.3Very high88.1Confident63 Ų6348.7 Ų48.724%0.23822%0.221CC..Hα-helixtrans-57.4-47.9172.9-57.1-160.8166.8102.60.1111.3E375 T376 Y418 S431 W432 H437 L438 A439E375-R435 WeakPolarHBondContact OE1-CD 3.48Å; E375-R435 IonicContact OE1-NE 2.65Å; T376-R435 HydrophobicContact CG2-CB 4.16Å; T376-R435 HydrophobicContact CG2-CG 3.62Å; Y418-R435 HydrophobicContact CD1-CB 3.82Å; Y418-R435 HydrophobicContact CD2-CB 3.85Å; Y418-R435 HydrophobicContact CE1-CB 3.83Å; Y418-R435 HydrophobicContact CE1-CG 4.43Å; Y418-R435 HydrophobicContact CE2-CB 3.86Å; Y418-R435 HydrophobicContact CG-CB 3.81Å; S431-R435 PolarHBondContact O-N 2.97Å; S431-R435 VanDerWaalsContact O-N 3.07Å; W432-R435 VanDerWaalsContact CH2-NH1 3.31Å; W432-R435 PolarHBondContact O-N 3.3Å; R435-H437 VanDerWaalsContact C-N 3.27Å; R435-H437 PolarHBondContact O-N 2.74Å; R435-L438 PolarHBondContact O-N 3.16Å; R435-L438 VanDerWaalsContact O-N 3.08Å; R435-A439 PolarHBondContact O-N 3.16Å
436M90.4Very high88.3Confident0 Ų046.6 Ų46.60%021%0.21CC..Hα-helixtrans-55.3-36.9174.3-167.4-164.6-17800113.3L415 Y419 M422 W432 R434 L440 L485 Q494 F498L415-M436 HydrophobicContact CD1-CB 4.5Å; L415-M436 HydrophobicContact CD1-CG 3.63Å; L415-M436 WeakPolarHBondContact CD1-O 3.15Å; Y419-M436 HydrophobicContact CD2-CE 3.72Å; Y419-M436 HydrophobicContact CD2-SD 4.39Å; Y419-M436 HydrophobicContact CG-CE 4.25Å; M422-M436 HydrophobicContact CE-SD 4.47Å; M422-M436 HydrophobicContact SD-SD 4.33Å; W432-M436 VanDerWaalsContact O-CB 3.25Å; W432-M436 WeakPolarHBondContact O-CB 3.29Å; W432-M436 PolarHBondContact O-N 3.33Å; R434-M436 VanDerWaalsContact C-N 3.34Å; R434-M436 PolarHBondContact O-N 3.43Å; M436-L440 WeakPolarHBondContact O-CB 3.28Å; M436-L440 PolarHBondContact O-N 3.01Å; M436-L440 VanDerWaalsContact O-N 3.08Å; M436-L485 HydrophobicContact CE-CD1 4.22Å; M436-L485 HydrophobicContact CE-CD2 3.5Å; M436-L485 VanDerWaalsContact CE-CD2 3.5Å; M436-L485 HydrophobicContact CE-CG 4.34Å; M436-Q494 PolarHBondContact SD-NE2 3.47Å; M436-F498 HydrophobicContact CE-CE2 4.21Å; M436-F498 HydrophobicContact CE-CZ 3.69Å; M436-F498 HydrophobicContact CG-CE2 4.09Å; M436-F498 HydrophobicContact CG-CZ 4.47Å; M436-F498 HydrophobicContact SD-CE2 4.07Å; M436-F498 HydrophobicContact SD-CZ 3.94Å
437H90.6Very high88.9Confident21 Ų2136.3 Ų36.310%0.09717%0.171CC..Hα-helixtrans-72.1-37.3176.6-172.2-160.5000112.6A433 R434 R435 L440 K441 S497 F498 D501A433-H437 PolarHBondContact O-N 3.49Å; R434-H437 PolarHBondContact O-N 3.32Å; R434-H437 VanDerWaalsContact O-N 3.13Å; R435-H437 VanDerWaalsContact C-N 3.27Å; R435-H437 PolarHBondContact O-N 2.74Å; H437-L440 PolarHBondContact O-N 3.39Å; H437-K441 PolarHBondContact O-N 3.03Å; H437-K441 VanDerWaalsContact O-N 3.1Å; H437-S497 PolarHBondContact CE1-OG 3.23Å; H437-F498 HydrophobicContact CB-CB 4.47Å; H437-F498 HydrophobicContact CB-CD2 3.83Å; H437-F498 AromaticContact CD2-CD2 3.87Å; H437-F498 AromaticContact CG-CD2 4Å; H437-D501 IonicContact CD2-OD2 2.68Å; H437-D501 IonicContact CE1-OD2 3.37Å; H437-D501 IonicContact NE2-OD2 3.75Å; H437-D501 PolarHBondContact NE2-OD2 3.22Å
438L91.2Very high89.4Confident38 Ų3828.2 Ų28.220%0.19914%0.139CC..Hα-helixtrans-67.9-44.9176.1-66.8172.2000111.8T376 M379 W380 R434 R435 L440 K441 A442T376-L438 HydrophobicContact CG2-CD1 4.31Å; M379-L438 HydrophobicContact CB-CB 3.97Å; W380-L438 HydrophobicContact CB-CD2 4.5Å; R434-L438 PolarHBondContact O-N 3.25Å; R434-L438 VanDerWaalsContact O-N 3.14Å; R435-L438 PolarHBondContact O-N 3.16Å; R435-L438 VanDerWaalsContact O-N 3.08Å; L438-L440 VanDerWaalsContact C-N 3.33Å; L438-L440 PolarHBondContact O-N 2.82Å; L438-K441 WeakPolarHBondContact O-CB 3.34Å; L438-K441 PolarHBondContact O-N 3Å; L438-K441 VanDerWaalsContact O-N 3.14Å; L438-A442 PolarHBondContact O-N 3.09Å
439A93.1Very high89.9Confident0 Ų025 Ų250%013%0.125CC..Hα-helixtrans-63.5-35.9174.300000113.1M379 I411 L415 Y418 R435 K441 A442 Y443M379-A439 HydrophobicContact CG-CB 4.43Å; M379-A439 HydrophobicContact SD-CB 3.93Å; I411-A439 HydrophobicContact CG2-CB 4.4Å; I411-A439 WeakPolarHBondContact CG2-O 3.31Å; L415-A439 HydrophobicContact CB-CB 4.16Å; L415-A439 HydrophobicContact CD1-CB 4.17Å; Y418-A439 HydrophobicContact CD2-CB 4.17Å; Y418-A439 HydrophobicContact CE2-CB 3.79Å; R435-A439 PolarHBondContact O-N 3.16Å; A439-K441 VanDerWaalsContact C-N 3.33Å; A439-K441 PolarHBondContact O-N 3.45Å; A439-A442 PolarHBondContact O-N 3.41Å; A439-Y443 WeakPolarHBondContact O-CB 3.44Å; A439-Y443 PolarHBondContact O-N 3.4Å
440L92.9Very high90.2Very high0 Ų024.4 Ų24.40%012%0.12CC..Hα-helixtrans-63-37.9172.8178.362.8000112.2M436 H437 L438 Y443 Q444 F482 L485 F498 L502 T505M436-L440 WeakPolarHBondContact O-CB 3.28Å; M436-L440 PolarHBondContact O-N 3.01Å; M436-L440 VanDerWaalsContact O-N 3.08Å; H437-L440 PolarHBondContact O-N 3.39Å; L438-L440 VanDerWaalsContact C-N 3.33Å; L438-L440 PolarHBondContact O-N 2.82Å; L440-Y443 PolarHBondContact O-N 2.85Å; L440-Q444 WeakPolarHBondContact O-CB 3.35Å; L440-Q444 PolarHBondContact O-N 3.29Å; L440-F482 HydrophobicContact CD1-CE1 4.25Å; L440-L485 HydrophobicContact CD1-CD1 4.35Å; L440-F498 HydrophobicContact CB-CE2 4.27Å; L440-F498 HydrophobicContact CD2-CD2 3.71Å; L440-F498 HydrophobicContact CD2-CE2 3.42Å; L440-F498 VanDerWaalsContact CD2-CE2 3.42Å; L440-F498 HydrophobicContact CD2-CG 4.46Å; L440-F498 HydrophobicContact CD2-CZ 3.95Å; L440-F498 HydrophobicContact CG-CE2 4.48Å; L440-L502 HydrophobicContact CD1-CD1 4.14Å; L440-L502 HydrophobicContact CD2-CB 3.82Å; L440-L502 HydrophobicContact CD2-CD1 4.08Å; L440-T505 HydrophobicContact CD1-CG2 4.47Å
441K91.4Very high90.5Very high76 Ų7622.2 Ų22.233%0.3310%0.1SC..Hα-helixtrans-67.6-41.7173.6-75.2-177.2174.1-171.90112.6A383 H437 L438 A439 Y443 Q444 E445 D501A383-K441 HydrophobicContact CB-CB 4.21Å; H437-K441 PolarHBondContact O-N 3.03Å; H437-K441 VanDerWaalsContact O-N 3.1Å; L438-K441 WeakPolarHBondContact O-CB 3.34Å; L438-K441 PolarHBondContact O-N 3Å; L438-K441 VanDerWaalsContact O-N 3.14Å; A439-K441 VanDerWaalsContact C-N 3.33Å; A439-K441 PolarHBondContact O-N 3.45Å; K441-Y443 VanDerWaalsContact C-N 3.31Å; K441-Y443 PolarHBondContact O-N 2.85Å; K441-Q444 WeakPolarHBondContact O-CB 3.46Å; K441-Q444 PolarHBondContact O-N 2.95Å; K441-E445 PolarHBondContact O-N 3.47Å; K441-D501 WeakPolarHBondContact CE-OD2 3.46Å
442A93.6Very high90.5Very high0 Ų025.7 Ų25.70%012%0.115CC..Hα-helixtrans-56.4-47.9173.100000110.6L382 I411 L438 A439 Q444 E445 L446L382-A442 HydrophobicContact CD2-CB 4.13Å; I411-A442 HydrophobicContact CD1-CB 4.11Å; I411-A442 HydrophobicContact CG2-CB 4.3Å; L438-A442 PolarHBondContact O-N 3.09Å; A439-A442 PolarHBondContact O-N 3.41Å; A442-Q444 VanDerWaalsContact C-N 3.34Å; A442-Q444 PolarHBondContact O-N 2.88Å; A442-E445 PolarHBondContact O-N 2.97Å; A442-L446 WeakPolarHBondContact O-CG 3.31Å; A442-L446 PolarHBondContact O-N 2.94Å
443Y93.1Very high90.4Very high0 Ų024.2 Ų24.20%011%0.109CC..Hα-helixtrans-65.1-34.2176.4-156.6-87.8000113.1F408 I411 A439 L440 K441 L447 Y478 L481 F482F408-Y443 AromaticContact CD1-CE2 3.87Å; F408-Y443 HydrophobicContact CD1-CE2 3.87Å; F408-Y443 HydrophobicContact CE1-CE2 4.48Å; I411-Y443 HydrophobicContact CB-CD2 4.36Å; I411-Y443 HydrophobicContact CG2-CD2 3.94Å; I411-Y443 HydrophobicContact CG2-CG 4.47Å; A439-Y443 WeakPolarHBondContact O-CB 3.44Å; A439-Y443 PolarHBondContact O-N 3.4Å; L440-Y443 PolarHBondContact O-N 2.85Å; K441-Y443 VanDerWaalsContact C-N 3.31Å; K441-Y443 PolarHBondContact O-N 2.85Å; Y443-L447 HydrophobicContact CD1-CD1 3.93Å; Y443-L447 HydrophobicContact CD1-CG 4.12Å; Y443-L447 HydrophobicContact CE1-CD1 3.75Å; Y443-L447 HydrophobicContact CE1-CD2 4.28Å; Y443-L447 HydrophobicContact CE1-CG 3.96Å; Y443-L447 WeakPolarHBondContact O-CG 3.43Å; Y443-L447 PolarHBondContact O-N 2.92Å; Y443-L447 VanDerWaalsContact O-N 3.12Å; Y443-Y478 HydrophobicContact CE2-CD1 4.08Å; Y443-Y478 HydrophobicContact CE2-CE1 4.25Å; Y443-Y478 AromaticContact CZ-CD1 3.94Å; Y443-Y478 WeakPolarHBondContact OH-CD1 3.46Å; Y443-L481 HydrophobicContact CE1-CD2 4.5Å; Y443-F482 AromaticContact CD1-CZ 3.81Å; Y443-F482 HydrophobicContact CD1-CZ 3.81Å; Y443-F482 HydrophobicContact CE1-CE2 4.14Å; Y443-F482 AromaticContact CE1-CZ 3.66Å; Y443-F482 HydrophobicContact CE1-CZ 3.66Å
444Q92.5Very high90.2Very high42 Ų4226.9 Ų26.920%0.19612%0.124CC..Hα-helixtrans-61.2-46.4173.6-173.1171.8-7.800111.9L440 K441 A442 L447 A448 T505L440-Q444 WeakPolarHBondContact O-CB 3.35Å; L440-Q444 PolarHBondContact O-N 3.29Å; K441-Q444 WeakPolarHBondContact O-CB 3.46Å; K441-Q444 PolarHBondContact O-N 2.95Å; A442-Q444 VanDerWaalsContact C-N 3.34Å; A442-Q444 PolarHBondContact O-N 2.88Å; Q444-L447 PolarHBondContact O-N 3.31Å; Q444-A448 PolarHBondContact O-N 3.42Å; Q444-T505 HydrophobicContact CB-CG2 4.13Å; Q444-T505 VanDerWaalsContact CB-OG1 3.25Å; Q444-T505 WeakPolarHBondContact CB-OG1 3.12Å; Q444-T505 VanDerWaalsContact CD-OG1 3.27Å; Q444-T505 HydrophobicContact CG-CG2 4.38Å; Q444-T505 WeakPolarHBondContact CG-OG1 3.36Å; Q444-T505 PolarHBondContact OE1-OG1 3.3Å
445E93.6Very high90.2Very high12 Ų1227.1 Ų27.16%0.05613%0.133CC..Hα-helixtrans-73.1-39.2-179.2-177.448.9-121.800112.1M386 A387 R390 K441 A442 L447 A448 T449M386-E445 HydrophobicContact CB-CG 3.52Å; A387-E445 HydrophobicContact CB-CG 4.18Å; A387-E445 WeakPolarHBondContact CB-OE2 3.28Å; R390-E445 VanDerWaalsContact CD-OE1 3.29Å; R390-E445 WeakPolarHBondContact CD-OE1 3.45Å; R390-E445 IonicContact CZ-OE1 3.03Å; R390-E445 IonicContact CZ-OE2 2.85Å; R390-E445 VanDerWaalsContact CZ-OE2 3.26Å; R390-E445 VanDerWaalsContact NE-CD 3.26Å; R390-E445 IonicContact NE-OE1 3.8Å; R390-E445 PolarHBondContact NE-OE1 3.13Å; R390-E445 IonicContact NE-OE2 3.79Å; R390-E445 PolarHBondContact NE-OE2 3.09Å; R390-E445 IonicContact NH2-OE1 3.59Å; R390-E445 IonicContact NH2-OE2 3.9Å; R390-E445 PolarHBondContact NH2-OE2 3.39Å; K441-E445 PolarHBondContact O-N 3.47Å; A442-E445 PolarHBondContact O-N 2.97Å; E445-L447 VanDerWaalsContact C-N 3.27Å; E445-L447 PolarHBondContact O-N 3Å; E445-A448 PolarHBondContact O-N 3.15Å; E445-T449 PolarHBondContact O-N 3.36Å; E445-T449 PolarHBondContact OE1-OG1 3.31Å
446L92.3Very high89.7Confident0 Ų025.2 Ų25.20%013%0.129CC..Hα-helixtrans-52.2-46.2169.9-76.3178.5000111.7L382 M386 T402 F408 I411 A442 V450L382-L446 HydrophobicContact CD2-CD2 4Å; L382-L446 HydrophobicContact CD2-CG 3.91Å; M386-L446 HydrophobicContact CE-CD2 3.98Å; M386-L446 HydrophobicContact SD-CD2 3.82Å; T402-L446 VanDerWaalsContact O-CD2 3.31Å; T402-L446 WeakPolarHBondContact O-CD2 3.48Å; F408-L446 HydrophobicContact CD1-CB 4.44Å; F408-L446 HydrophobicContact CD1-CD1 4.15Å; F408-L446 HydrophobicContact CD2-CD1 4.49Å; F408-L446 HydrophobicContact CE1-CB 3.67Å; F408-L446 HydrophobicContact CE1-CD1 4.21Å; F408-L446 HydrophobicContact CE1-CG 4.5Å; F408-L446 HydrophobicContact CE2-CB 4.24Å; F408-L446 HydrophobicContact CE2-CD2 4.31Å; F408-L446 HydrophobicContact CG-CD1 4.31Å; F408-L446 HydrophobicContact CZ-CB 3.58Å; F408-L446 HydrophobicContact CZ-CD1 4.42Å; F408-L446 HydrophobicContact CZ-CD2 4.47Å; F408-L446 HydrophobicContact CZ-CG 4.38Å; I411-L446 HydrophobicContact CG1-CD1 3.94Å; A442-L446 WeakPolarHBondContact O-CG 3.31Å; A442-L446 PolarHBondContact O-N 2.94Å; L446-V450 WeakPolarHBondContact O-CB 3.2Å; L446-V450 VanDerWaalsContact O-CG2 3.28Å; L446-V450 WeakPolarHBondContact O-CG2 3.49Å; L446-V450 PolarHBondContact O-N 3.18Å; L446-V450 VanDerWaalsContact O-N 3.08Å
447L91.5Very high89.2Confident0 Ų031.3 Ų31.30%017%0.169CC..Hα-helixtrans-68.4-34.4175-69.2-178.6000113.1F408 Y443 Q444 E445 N451 I472 F482 T505 L508 F509 M512F408-L447 HydrophobicContact CE1-CD2 4.09Å; Y443-L447 HydrophobicContact CD1-CD1 3.93Å; Y443-L447 HydrophobicContact CD1-CG 4.12Å; Y443-L447 HydrophobicContact CE1-CD1 3.75Å; Y443-L447 HydrophobicContact CE1-CD2 4.28Å; Y443-L447 HydrophobicContact CE1-CG 3.96Å; Y443-L447 WeakPolarHBondContact O-CG 3.43Å; Y443-L447 PolarHBondContact O-N 2.92Å; Y443-L447 VanDerWaalsContact O-N 3.12Å; Q444-L447 PolarHBondContact O-N 3.31Å; E445-L447 VanDerWaalsContact C-N 3.27Å; E445-L447 PolarHBondContact O-N 3Å; L447-N451 PolarHBondContact O-N 3.35Å; L447-N451 PolarHBondContact O-ND2 3.25Å; L447-I472 HydrophobicContact CD2-CD1 4.43Å; L447-F482 HydrophobicContact CD1-CZ 4.19Å; L447-T505 HydrophobicContact CD1-CG2 3.98Å; L447-L508 HydrophobicContact CB-CD2 3.88Å; L447-F509 HydrophobicContact CD1-CB 4.1Å; L447-F509 HydrophobicContact CD1-CD2 4.03Å; L447-F509 HydrophobicContact CD2-CD2 4.47Å; L447-M512 HydrophobicContact CB-SD 4.2Å; L447-M512 HydrophobicContact CD2-CE 4.05Å; L447-M512 HydrophobicContact CD2-SD 3.91Å; L447-M512 HydrophobicContact CG-SD 4.48Å
448A91.5Very high88.9Confident16 Ų1634.4 Ų34.413%0.13219%0.186CC..Hα-helixtrans-66.7-50.4177.600000111.5Q444 E445 V450 N451 E452 L508Q444-A448 PolarHBondContact O-N 3.42Å; E445-A448 PolarHBondContact O-N 3.15Å; A448-V450 VanDerWaalsContact C-N 3.35Å; A448-V450 PolarHBondContact O-N 3.03Å; A448-N451 WeakPolarHBondContact O-CB 3.43Å; A448-N451 PolarHBondContact O-N 3.15Å; A448-E452 PolarHBondContact O-N 3.07Å; A448-E452 VanDerWaalsContact O-N 3.16Å; A448-L508 HydrophobicContact CB-CD2 4.13Å
449T90.5Very high88.6Confident10 Ų1037.5 Ų37.56%0.06120%0.2CC..Hα-helixtrans-56.4-46.1173.4-71.40000111.4M386 L403 E445 N451 E452 M453M386-T449 HydrophobicContact CE-CG2 3.78Å; L403-T449 HydrophobicContact CD1-CG2 3.82Å; L403-T449 HydrophobicContact CD2-CG2 3.94Å; E445-T449 PolarHBondContact O-N 3.36Å; E445-T449 PolarHBondContact OE1-OG1 3.31Å; T449-N451 PolarHBondContact O-N 3.11Å; T449-E452 PolarHBondContact O-N 3.46Å; T449-M453 HydrophobicContact CG2-CG 4.45Å; T449-M453 HydrophobicContact CG2-SD 4.38Å; T449-M453 VanDerWaalsContact O-CG 3.31Å; T449-M453 WeakPolarHBondContact O-CG 3.38Å; T449-M453 PolarHBondContact O-N 2.79Å
450V90.1Very high88.1Confident0 Ų040.2 Ų40.20%022%0.222CC..Hα-helixtrans-66.1-19.5176.9170.90000113.9L403 F408 L446 A448 M453 S465 I468 K469 M512L403-V450 HydrophobicContact CD1-CG2 3.71Å; F408-V450 HydrophobicContact CE2-CG2 4.08Å; F408-V450 HydrophobicContact CZ-CG2 3.87Å; L446-V450 WeakPolarHBondContact O-CB 3.2Å; L446-V450 VanDerWaalsContact O-CG2 3.28Å; L446-V450 WeakPolarHBondContact O-CG2 3.49Å; L446-V450 PolarHBondContact O-N 3.18Å; L446-V450 VanDerWaalsContact O-N 3.08Å; A448-V450 VanDerWaalsContact C-N 3.35Å; A448-V450 PolarHBondContact O-N 3.03Å; V450-M453 HydrophobicContact CG2-SD 4.03Å; V450-S465 PolarHBondContact O-OG 2.67Å; V450-I468 HydrophobicContact CG1-CG2 4.25Å; V450-I468 HydrophobicContact CG2-CD1 4.48Å; V450-I468 HydrophobicContact CG2-CG2 4.02Å; V450-K469 HydrophobicContact CG1-CD 4.45Å; V450-K469 HydrophobicContact CG1-CG 3.94Å; V450-K469 VanDerWaalsContact O-CE 3.28Å; V450-K469 WeakPolarHBondContact O-CE 3.44Å; V450-K469 PolarHBondContact O-NZ 3.47Å; V450-K469 VanDerWaalsContact O-NZ 3.13Å; V450-M512 HydrophobicContact CB-CE 4.3Å; V450-M512 HydrophobicContact CG1-CE 3.78Å
451N88.3Confident87.6Confident12 Ų1241.2 Ų41.26%0.06423%0.228CC..Hα-helixtrans-74.2-41.9167.2-87.8-90.2000112.3L447 A448 T449 D454 L508 M512L447-N451 PolarHBondContact O-N 3.35Å; L447-N451 PolarHBondContact O-ND2 3.25Å; A448-N451 WeakPolarHBondContact O-CB 3.43Å; A448-N451 PolarHBondContact O-N 3.15Å; T449-N451 PolarHBondContact O-N 3.11Å; N451-D454 WeakPolarHBondContact O-CB 3.34Å; N451-D454 PolarHBondContact O-N 3.01Å; N451-D454 VanDerWaalsContact O-N 3.15Å; N451-L508 WeakPolarHBondContact ND2-CD1 3.15Å; N451-M512 WeakPolarHBondContact ND2-CG 3.47Å; N451-M512 PolarHBondContact ND2-SD 3.46Å; N451-M512 VanDerWaalsContact OD1-CG 3.27Å; N451-M512 WeakPolarHBondContact OD1-CG 3.44Å
452E84.9Confident87.3Confident91 Ų9140.2 Ų40.243%0.42522%0.222SC..Hα-helixtrans-75.4-30.3-175.6-65.6-171.8-155.900111.6R390 A448 T449 D454 L455 S456R390-E452 WeakPolarHBondContact CD-OE1 3.14Å; R390-E452 VanDerWaalsContact CG-CD 3.47Å; R390-E452 VanDerWaalsContact CG-OE2 3.23Å; R390-E452 WeakPolarHBondContact CG-OE2 3.33Å; R390-E452 IonicContact NH1-OE1 3.44Å; A448-E452 PolarHBondContact O-N 3.07Å; A448-E452 VanDerWaalsContact O-N 3.16Å; T449-E452 PolarHBondContact O-N 3.46Å; E452-D454 PolarHBondContact O-N 3.45Å; E452-D454 VanDerWaalsContact O-N 3.15Å; E452-L455 CarbonylContact O-C 3.6Å; E452-L455 WeakPolarHBondContact O-CA 3.23Å; E452-L455 WeakPolarHBondContact O-CB 3.33Å; E452-L455 PolarHBondContact O-N 2.96Å; E452-S456 PolarHBondContact O-N 3.07Å; E452-S456 VanDerWaalsContact O-N 3.09Å
453M85.3Confident86.8Confident10 Ų1044.8 Ų44.85%0.04924%0.243CC..THydrogen-bonded Turntrans-60.4-16.2165.2-60.916986.200114.7L403 T449 V450 L455 S456 V461L403-M453 HydrophobicContact CD1-SD 3.81Å; L403-M453 HydrophobicContact CD2-CE 3.79Å; L403-M453 HydrophobicContact CD2-SD 3.69Å; L403-M453 HydrophobicContact CG-CE 4.18Å; L403-M453 HydrophobicContact CG-SD 4.02Å; T449-M453 HydrophobicContact CG2-CG 4.45Å; T449-M453 HydrophobicContact CG2-SD 4.38Å; T449-M453 VanDerWaalsContact O-CG 3.31Å; T449-M453 WeakPolarHBondContact O-CG 3.38Å; T449-M453 PolarHBondContact O-N 2.79Å; V450-M453 HydrophobicContact CG2-SD 4.03Å; M453-L455 VanDerWaalsContact C-N 3.32Å; M453-S456 PolarHBondContact O-OG 2.79Å; M453-S456 VanDerWaalsContact O-OG 3.07Å; M453-V461 HydrophobicContact CB-CG1 3.7Å; M453-V461 HydrophobicContact CE-CG1 4Å; M453-V461 HydrophobicContact CG-CG1 3.75Å
454D83.4Confident86.3Confident57 Ų5747.5 Ų47.531%0.30526%0.262SS..THydrogen-bonded Turntrans-77.7-25.4172.3-140.320.5000111.7N451 E452 K469N451-D454 WeakPolarHBondContact O-CB 3.34Å; N451-D454 PolarHBondContact O-N 3.01Å; N451-D454 VanDerWaalsContact O-N 3.15Å; E452-D454 PolarHBondContact O-N 3.45Å; E452-D454 VanDerWaalsContact O-N 3.15Å; D454-K469 IonicContact OD1-NZ 2.73Å; D454-K469 PolarHBondContact OD1-NZ 2.72Å; D454-K469 IonicContact OD2-NZ 3.85Å; D454-K469 PolarHBondContact OD2-NZ 2.84Å
455L83.4Confident85.9Confident122 Ų12245.5 Ų45.564%0.63925%0.253SS*.THydrogen-bonded Turntrans-101.1-11.6-172.6-54.9176.6000112E452 M453E452-L455 CarbonylContact O-C 3.6Å; E452-L455 WeakPolarHBondContact O-CA 3.23Å; E452-L455 WeakPolarHBondContact O-CB 3.33Å; E452-L455 PolarHBondContact O-N 2.96Å; M453-L455 VanDerWaalsContact C-N 3.32Å
456S80.9Confident85.4Confident23 Ų2349.5 Ų49.516%0.16127%0.267CS..  trans-60.6145.3176.757.80000111.6E452 M453 D458 V461 R462E452-S456 PolarHBondContact O-N 3.07Å; E452-S456 VanDerWaalsContact O-N 3.09Å; M453-S456 PolarHBondContact O-OG 2.79Å; M453-S456 VanDerWaalsContact O-OG 3.07Å; S456-D458 VanDerWaalsContact C-N 3.31Å; S456-V461 WeakPolarHBondContact OG-CG1 3.43Å; S456-R462 PolarHBondContact O-NH2 3.32Å
457P79.8Confident85Confident127 Ų12754 Ų5483%0.82529%0.29SS*.SBendtrans-68.9-32.1176.928.2-34.5000112.2R462P457-R462 VanDerWaalsContact C-NH2 3.27Å; P457-R462 PolarHBondContact O-NH2 3Å
458D84.3Confident84.7Confident86 Ų8654.4 Ų54.446%0.4629%0.293SS..  trans-61.5138.4177.9-170.3-4000112S456 A460 V461 R462S456-D458 VanDerWaalsContact C-N 3.31Å; D458-A460 PolarHBondContact OD1-N 3.02Å; D458-V461 HydrophobicContact CB-CB 4.27Å; D458-V461 HydrophobicContact CB-CG2 4.22Å; D458-V461 WeakPolarHBondContact OD2-CG2 3.32Å; D458-R462 WeakPolarHBondContact O-CB 3.27Å; D458-R462 PolarHBondContact O-NH2 3.12Å
459E84.7Confident84.4Confident104 Ų10454.1 Ų54.149%0.48629%0.288SS..Hα-helixtrans-80-42.3178.5-170.1106.5-104.100111.3V461 R462 E463E459-V461 PolarHBondContact O-N 3.5Å; E459-R462 CarbonylContact O-C 3.6Å; E459-R462 WeakPolarHBondContact O-CA 3.06Å; E459-R462 WeakPolarHBondContact O-CB 3.31Å; E459-R462 PolarHBondContact O-N 3.17Å; E459-R462 IonicContact OE1-NH1 2.84Å; E459-R462 PolarHBondContact OE1-NH1 3.24Å; E459-E463 WeakPolarHBondContact O-CG 3.39Å; E459-E463 PolarHBondContact O-N 2.94Å
460A83Confident84.1Confident56 Ų5655 Ų5546%0.46329%0.293SS..Hα-helixtrans-62.7-46.9-176.100000111.1D458 R462 E463 S464D458-A460 PolarHBondContact OD1-N 3.02Å; A460-R462 VanDerWaalsContact C-N 3.27Å; A460-R462 PolarHBondContact O-N 3Å; A460-E463 PolarHBondContact O-N 3.16Å; A460-E463 VanDerWaalsContact O-N 3.1Å; A460-S464 PolarHBondContact O-N 2.98Å; A460-S464 PolarHBondContact O-OG 2.87Å
461V81.8Confident83.8Confident21 Ų2158.2 Ų58.213%0.12731%0.31CS..Hα-helixtrans-57.6-40172.81730000111.7P396 M453 S456 D458 E459 E463 S465P396-V461 HydrophobicContact CB-CG1 4.4Å; P396-V461 HydrophobicContact CG-CG1 4.02Å; P396-V461 HydrophobicContact CG-CG2 4.33Å; M453-V461 HydrophobicContact CB-CG1 3.7Å; M453-V461 HydrophobicContact CE-CG1 4Å; M453-V461 HydrophobicContact CG-CG1 3.75Å; S456-V461 WeakPolarHBondContact OG-CG1 3.43Å; D458-V461 HydrophobicContact CB-CB 4.27Å; D458-V461 HydrophobicContact CB-CG2 4.22Å; D458-V461 WeakPolarHBondContact OD2-CG2 3.32Å; E459-V461 PolarHBondContact O-N 3.5Å; V461-E463 VanDerWaalsContact C-N 3.33Å; V461-S465 WeakPolarHBondContact O-CB 3.38Å; V461-S465 PolarHBondContact O-N 3.43Å
462R84.6Confident83.6Confident55 Ų5557.9 Ų57.921%0.20831%0.308CS..Hα-helixtrans-68.6-33177.9-165.1-172.2-58.5119.98.9111.6S456 P457 D458 E459 A460 S465 R466S456-R462 PolarHBondContact O-NH2 3.32Å; P457-R462 VanDerWaalsContact C-NH2 3.27Å; P457-R462 PolarHBondContact O-NH2 3Å; D458-R462 WeakPolarHBondContact O-CB 3.27Å; D458-R462 PolarHBondContact O-NH2 3.12Å; E459-R462 CarbonylContact O-C 3.6Å; E459-R462 WeakPolarHBondContact O-CA 3.06Å; E459-R462 WeakPolarHBondContact O-CB 3.31Å; E459-R462 PolarHBondContact O-N 3.17Å; E459-R462 IonicContact OE1-NH1 2.84Å; E459-R462 PolarHBondContact OE1-NH1 3.24Å; A460-R462 VanDerWaalsContact C-N 3.27Å; A460-R462 PolarHBondContact O-N 3Å; R462-S465 WeakPolarHBondContact O-CB 3.24Å; R462-R466 WeakPolarHBondContact O-CD 3.45Å; R462-R466 WeakPolarHBondContact O-CG 3.04Å; R462-R466 PolarHBondContact O-N 3.01Å
463E82.9Confident83.4Confident97 Ų9753.5 Ų53.545%0.45329%0.288SS..Hα-helixtrans-71.5-45.1174.5-71.2-174.1156.900112.5E459 A460 V461 S465 R466 I467E459-E463 WeakPolarHBondContact O-CG 3.39Å; E459-E463 PolarHBondContact O-N 2.94Å; A460-E463 PolarHBondContact O-N 3.16Å; A460-E463 VanDerWaalsContact O-N 3.1Å; V461-E463 VanDerWaalsContact C-N 3.33Å; E463-S465 VanDerWaalsContact C-N 3.25Å; E463-S465 PolarHBondContact O-N 3.15Å; E463-R466 WeakPolarHBondContact O-CB 3.46Å; E463-R466 PolarHBondContact O-N 2.93Å; E463-R466 IonicContact OE1-NH1 3.18Å; E463-I467 WeakPolarHBondContact O-CG1 3.27Å; E463-I467 PolarHBondContact O-N 3.16Å
464S82.5Confident83.2Confident56 Ų5657.8 Ų57.839%0.39230%0.304SS..Hα-helixtrans-55-44.1169.5-48.50000111.3A460 R466 I467 I468A460-S464 PolarHBondContact O-N 2.98Å; A460-S464 PolarHBondContact O-OG 2.87Å; S464-R466 PolarHBondContact O-N 2.8Å; S464-I467 PolarHBondContact O-N 3.12Å; S464-I468 WeakPolarHBondContact O-CG1 3.26Å; S464-I468 PolarHBondContact O-N 3.3Å
465S84.1Confident83Confident0 Ų057.7 Ų57.70%031%0.305CS..Hα-helixtrans-61-41175.4-167.30000113.1V450 V461 R462 E463 K469V450-S465 PolarHBondContact O-OG 2.67Å; V461-S465 WeakPolarHBondContact O-CB 3.38Å; V461-S465 PolarHBondContact O-N 3.43Å; R462-S465 WeakPolarHBondContact O-CB 3.24Å; E463-S465 VanDerWaalsContact C-N 3.25Å; E463-S465 PolarHBondContact O-N 3.15Å; S465-K469 VanDerWaalsContact O-CB 3.3Å; S465-K469 WeakPolarHBondContact O-CB 3.36Å; S465-K469 WeakPolarHBondContact O-CD 3.46Å; S465-K469 WeakPolarHBondContact O-CG 3.44Å; S465-K469 PolarHBondContact O-N 2.91Å; S465-K469 WeakPolarHBondContact OG-CE 3.46Å; S465-K469 PolarHBondContact OG-NZ 3.04Å
466R83.7Confident82.7Confident97 Ų9753.4 Ų53.437%0.36628%0.282SS..Hα-helixtrans-64.1-43.4175.3-72.8160.5-179.2166.70.4111.5R462 E463 S464 K469 N470R462-R466 WeakPolarHBondContact O-CD 3.45Å; R462-R466 WeakPolarHBondContact O-CG 3.04Å; R462-R466 PolarHBondContact O-N 3.01Å; E463-R466 WeakPolarHBondContact O-CB 3.46Å; E463-R466 PolarHBondContact O-N 2.93Å; E463-R466 IonicContact OE1-NH1 3.18Å; S464-R466 PolarHBondContact O-N 2.8Å; R466-K469 PolarHBondContact O-N 3.4Å; R466-N470 PolarHBondContact O-N 2.97Å; R466-N470 PolarHBondContact O-ND2 3.41Å; R466-N470 VanDerWaalsContact O-ND2 3.15Å; R466-N470 PolarHBondContact O-OD1 3.33Å
467I84.7Confident82.6Confident94 Ų9456.2 Ų56.248%0.48229%0.293SS..Hα-helixtrans-61.9-52.5178.5-66.2163.5000110.1E463 S464 K469 N470 N471E463-I467 WeakPolarHBondContact O-CG1 3.27Å; E463-I467 PolarHBondContact O-N 3.16Å; S464-I467 PolarHBondContact O-N 3.12Å; I467-K469 VanDerWaalsContact C-N 3.34Å; I467-K469 PolarHBondContact O-N 2.72Å; I467-N470 WeakPolarHBondContact O-CB 3.19Å; I467-N470 PolarHBondContact O-N 3.47Å; I467-N470 VanDerWaalsContact O-N 3.13Å; I467-N471 PolarHBondContact O-N 2.81Å; I467-N471 PolarHBondContact O-OD1 2.67Å
468I84.4Confident82.8Confident9 Ų950.7 Ų50.75%0.04626%0.256CS..Hα-helixtrans-59-44.2179.1-66.6165.4000111.1L403 V405 F408 V450 S464 N470 N471 I472L403-I468 WeakPolarHBondContact O-CD1 3.46Å; V405-I468 HydrophobicContact CG2-CG1 4.24Å; F408-I468 HydrophobicContact CD2-CG2 4.02Å; F408-I468 HydrophobicContact CE2-CG2 3.54Å; F408-I468 HydrophobicContact CZ-CG2 3.99Å; V450-I468 HydrophobicContact CG1-CG2 4.25Å; V450-I468 HydrophobicContact CG2-CD1 4.48Å; V450-I468 HydrophobicContact CG2-CG2 4.02Å; S464-I468 WeakPolarHBondContact O-CG1 3.26Å; S464-I468 PolarHBondContact O-N 3.3Å; I468-N470 PolarHBondContact O-N 3.08Å; I468-N471 PolarHBondContact O-N 2.84Å; I468-I472 HydrophobicContact CG2-CD1 3.55Å; I468-I472 HydrophobicContact CG2-CG1 4.4Å; I468-I472 WeakPolarHBondContact O-CG1 3.35Å; I468-I472 PolarHBondContact O-N 3.09Å; I468-I472 VanDerWaalsContact O-N 3.07Å
469K85.1Confident82.7Confident10 Ų1047 Ų474%0.04324%0.235CC..Hα-helixtrans-62.1-38.2176-77.6166.1-174152.80113.4V450 D454 S465 R466 I467 F473 M512 F516V450-K469 HydrophobicContact CG1-CD 4.45Å; V450-K469 HydrophobicContact CG1-CG 3.94Å; V450-K469 VanDerWaalsContact O-CE 3.28Å; V450-K469 WeakPolarHBondContact O-CE 3.44Å; V450-K469 PolarHBondContact O-NZ 3.47Å; V450-K469 VanDerWaalsContact O-NZ 3.13Å; D454-K469 IonicContact OD1-NZ 2.73Å; D454-K469 PolarHBondContact OD1-NZ 2.72Å; D454-K469 IonicContact OD2-NZ 3.85Å; D454-K469 PolarHBondContact OD2-NZ 2.84Å; S465-K469 VanDerWaalsContact O-CB 3.3Å; S465-K469 WeakPolarHBondContact O-CB 3.36Å; S465-K469 WeakPolarHBondContact O-CD 3.46Å; S465-K469 WeakPolarHBondContact O-CG 3.44Å; S465-K469 PolarHBondContact O-N 2.91Å; S465-K469 WeakPolarHBondContact OG-CE 3.46Å; S465-K469 PolarHBondContact OG-NZ 3.04Å; R466-K469 PolarHBondContact O-N 3.4Å; I467-K469 VanDerWaalsContact C-N 3.34Å; I467-K469 PolarHBondContact O-N 2.72Å; K469-F473 HydrophobicContact CB-CD2 4.14Å; K469-F473 HydrophobicContact CB-CE2 3.89Å; K469-F473 HydrophobicContact CG-CE2 3.97Å; K469-F473 WeakPolarHBondContact O-CB 3.39Å; K469-F473 WeakPolarHBondContact O-CD2 3.37Å; K469-F473 VanDerWaalsContact O-CG 3.32Å; K469-F473 WeakPolarHBondContact O-CG 3.34Å; K469-F473 PolarHBondContact O-N 2.81Å; K469-F473 VanDerWaalsContact O-N 3.11Å; K469-M512 HydrophobicContact CG-CE 4.42Å; K469-F516 HydrophobicContact CB-CE2 4.46Å
470N84.3Confident82.7Confident28 Ų2843.4 Ų43.415%0.1522%0.218CC..Hα-helixtrans-57.1-58.3174.8-62.6-31.5000108.8R466 I467 I468 I472 F473 Y474 F516 R520R466-N470 PolarHBondContact O-N 2.97Å; R466-N470 PolarHBondContact O-ND2 3.41Å; R466-N470 VanDerWaalsContact O-ND2 3.15Å; R466-N470 PolarHBondContact O-OD1 3.33Å; I467-N470 WeakPolarHBondContact O-CB 3.19Å; I467-N470 PolarHBondContact O-N 3.47Å; I467-N470 VanDerWaalsContact O-N 3.13Å; I468-N470 PolarHBondContact O-N 3.08Å; N470-I472 VanDerWaalsContact C-N 3.34Å; N470-I472 PolarHBondContact O-N 3.39Å; N470-F473 PolarHBondContact O-N 3.19Å; N470-Y474 HydrophobicContact CB-CD2 3.99Å; N470-Y474 HydrophobicContact CB-CE2 4.01Å; N470-Y474 WeakPolarHBondContact O-CD2 3.37Å; N470-Y474 PolarHBondContact O-N 3.45Å; N470-F516 WeakPolarHBondContact OD1-CZ 3.29Å; N470-R520 PolarHBondContact OD1-NH1 2.98Å
471N83.6Confident82.8Confident68 Ų6841.4 Ų41.436%0.36420%0.2SC..Hα-helixtrans-60-44.6-171.9-6310.8000111.2V405 I467 I468 F473 V475V405-N471 HydrophobicContact CG1-CB 4.42Å; I467-N471 PolarHBondContact O-N 2.81Å; I467-N471 PolarHBondContact O-OD1 2.67Å; I468-N471 PolarHBondContact O-N 2.84Å; N471-F473 PolarHBondContact O-N 3.11Å; N471-V475 WeakPolarHBondContact O-CB 3.33Å; N471-V475 VanDerWaalsContact O-CG2 3.29Å; N471-V475 WeakPolarHBondContact O-CG2 3.35Å; N471-V475 PolarHBondContact O-N 3.45Å
472I83.9Confident83.1Confident4 Ų440.5 Ų40.52%0.02119%0.194CC..Hα-helixtrans-62.3-36.7177-65.7168.8000112.9F408 L447 I468 N470 Y478 F509F408-I472 HydrophobicContact CD1-CD1 3.55Å; F408-I472 HydrophobicContact CD1-CG1 4.19Å; F408-I472 HydrophobicContact CD2-CD1 4.32Å; F408-I472 HydrophobicContact CE1-CD1 3.34Å; F408-I472 HydrophobicContact CE1-CG1 4.43Å; F408-I472 HydrophobicContact CE2-CD1 4.15Å; F408-I472 HydrophobicContact CG-CD1 4.03Å; F408-I472 HydrophobicContact CZ-CD1 3.65Å; L447-I472 HydrophobicContact CD2-CD1 4.43Å; I468-I472 HydrophobicContact CG2-CD1 3.55Å; I468-I472 HydrophobicContact CG2-CG1 4.4Å; I468-I472 WeakPolarHBondContact O-CG1 3.35Å; I468-I472 PolarHBondContact O-N 3.09Å; I468-I472 VanDerWaalsContact O-N 3.07Å; N470-I472 VanDerWaalsContact C-N 3.34Å; N470-I472 PolarHBondContact O-N 3.39Å; I472-Y478 HydrophobicContact CB-CD2 4.47Å; I472-Y478 HydrophobicContact CG2-CG 4.42Å; I472-F509 HydrophobicContact CG2-CE2 3.86Å
473F81.8Confident83.1Confident0 Ų037.9 Ų37.90%018%0.184CC..Hα-helixtrans-91.4-22.6-176.6-60-39.8000114.6K469 N470 N471 R479 F509 M512 L513 F516 L523K469-F473 HydrophobicContact CB-CD2 4.14Å; K469-F473 HydrophobicContact CB-CE2 3.89Å; K469-F473 HydrophobicContact CG-CE2 3.97Å; K469-F473 WeakPolarHBondContact O-CB 3.39Å; K469-F473 WeakPolarHBondContact O-CD2 3.37Å; K469-F473 VanDerWaalsContact O-CG 3.32Å; K469-F473 WeakPolarHBondContact O-CG 3.34Å; K469-F473 PolarHBondContact O-N 2.81Å; K469-F473 VanDerWaalsContact O-N 3.11Å; N470-F473 PolarHBondContact O-N 3.19Å; N471-F473 PolarHBondContact O-N 3.11Å; F473-R479 WeakPolarHBondContact O-CD 3.27Å; F473-R479 PolarHBondContact O-NE 2.87Å; F473-F509 HydrophobicContact CD1-CE2 4.08Å; F473-F509 HydrophobicContact CD1-CZ 4.05Å; F473-F509 HydrophobicContact CE1-CD2 4.11Å; F473-F509 AromaticContact CE1-CE2 3.67Å; F473-F509 HydrophobicContact CE1-CE2 3.67Å; F473-F509 AromaticContact CE1-CZ 3.98Å; F473-F509 HydrophobicContact CE1-CZ 3.98Å; F473-M512 HydrophobicContact CE2-CB 4.36Å; F473-M512 HydrophobicContact CZ-CB 3.62Å; F473-M512 HydrophobicContact CZ-CE 4.39Å; F473-M512 HydrophobicContact CZ-SD 4.48Å; F473-L513 HydrophobicContact CB-CD1 4.24Å; F473-L513 HydrophobicContact CD1-CD1 3.81Å; F473-L513 HydrophobicContact CD2-CD1 4.44Å; F473-L513 HydrophobicContact CE1-CB 4.27Å; F473-L513 HydrophobicContact CE1-CD1 4.32Å; F473-L513 HydrophobicContact CG-CD1 3.91Å; F473-F516 HydrophobicContact CB-CD1 4.25Å; F473-F516 HydrophobicContact CB-CE1 4.05Å; F473-F516 HydrophobicContact CD2-CB 4.12Å; F473-F516 AromaticContact CD2-CD1 3.53Å; F473-F516 HydrophobicContact CD2-CD1 3.53Å; F473-F516 HydrophobicContact CD2-CD2 4.21Å; F473-F516 AromaticContact CD2-CE1 3.86Å; F473-F516 HydrophobicContact CD2-CE1 3.86Å; F473-F516 HydrophobicContact CD2-CE2 4.5Å; F473-F516 AromaticContact CD2-CG 3.71Å; F473-F516 HydrophobicContact CD2-CG 3.71Å; F473-F516 HydrophobicContact CD2-CZ 4.33Å; F473-F516 HydrophobicContact CE2-CB 4.05Å; F473-F516 HydrophobicContact CE2-CD1 4.32Å; F473-F516 HydrophobicContact CE2-CD2 4.47Å; F473-F516 HydrophobicContact CE2-CG 4.06Å; F473-F516 HydrophobicContact CG-CD1 4.23Å; F473-F516 HydrophobicContact CG-CE1 4.42Å; F473-L523 HydrophobicContact CB-CD2 4.45Å
474Y79.7Confident83.3Confident100 Ų10035.4 Ų35.439%0.39218%0.176SC..Hα-helixtrans-76.5-47.6174-80.9-72.7000112.1N470 R479 L523 V524N470-Y474 HydrophobicContact CB-CD2 3.99Å; N470-Y474 HydrophobicContact CB-CE2 4.01Å; N470-Y474 WeakPolarHBondContact O-CD2 3.37Å; N470-Y474 PolarHBondContact O-N 3.45Å; Y474-R479 PolarHBondContact O-NH2 3.28Å; Y474-L523 HydrophobicContact CD1-CD1 3.87Å; Y474-L523 HydrophobicContact CE1-CD1 3.33Å; Y474-L523 HydrophobicContact CE1-CG 4.49Å; Y474-L523 HydrophobicContact CE2-CD1 4.03Å; Y474-L523 HydrophobicContact CG-CD1 4.44Å; Y474-V524 WeakPolarHBondContact CD1-O 3.38Å; Y474-V524 VanDerWaalsContact CE1-O 3.23Å; Y474-V524 WeakPolarHBondContact CE1-O 3.47Å
475V79.3Confident83.4Confident54 Ų5432.9 Ų32.933%0.32716%0.158SC..SBendtrans-56.7144.7178169.10000110.8N471 E477 Y478 R479N471-V475 WeakPolarHBondContact O-CB 3.33Å; N471-V475 VanDerWaalsContact O-CG2 3.29Å; N471-V475 WeakPolarHBondContact O-CG2 3.35Å; N471-V475 PolarHBondContact O-N 3.45Å; V475-E477 HydrophobicContact CG1-CB 3.95Å; V475-E477 VanDerWaalsContact CG1-OE2 3.26Å; V475-E477 WeakPolarHBondContact CG1-OE2 3.33Å; V475-Y478 HydrophobicContact CB-CD2 3.79Å; V475-Y478 HydrophobicContact CB-CE2 4.05Å; V475-Y478 HydrophobicContact CG1-CD2 3.62Å; V475-Y478 HydrophobicContact CG1-CE2 3.84Å; V475-Y478 HydrophobicContact CG2-CE2 4.38Å; V475-R479 PolarHBondContact O-NE 3.34Å; V475-R479 PolarHBondContact O-NH2 3.41Å; V475-R479 VanDerWaalsContact O-NH2 3.1Å
476M77.3Confident83.4Confident33 Ų3333 Ų3316%0.16316%0.159CC..SBendtrans-82-32.7-177.1-71.6-165.165.300112.3R479 E480 Q526 K528M476-R479 WeakPolarHBondContact O-CB 3.27Å; M476-R479 PolarHBondContact O-N 3.32Å; M476-E480 PolarHBondContact O-N 3.23Å; M476-Q526 VanDerWaalsContact SD-O 3.38Å; M476-K528 HydrophobicContact SD-CB 4.11Å; M476-K528 HydrophobicContact SD-CD 4.16Å; M476-K528 HydrophobicContact SD-CG 3.85Å
477E80.4Confident83.4Confident82 Ų8233.8 Ų33.838%0.38316%0.161SC..Hα-helixtrans-65.9-56.7-166-68.561.1-148.700109.9V475 R479 E480 L481 K528V475-E477 HydrophobicContact CG1-CB 3.95Å; V475-E477 VanDerWaalsContact CG1-OE2 3.26Å; V475-E477 WeakPolarHBondContact CG1-OE2 3.33Å; E477-R479 PolarHBondContact O-N 3.17Å; E477-E480 PolarHBondContact O-N 3.08Å; E477-L481 PolarHBondContact O-N 3.44Å; E477-K528 IonicContact OE1-NZ 3.81Å; E477-K528 PolarHBondContact OE1-NZ 2.91Å
478Y82.3Confident83.2Confident11 Ų1133.6 Ų33.64%0.04316%0.157CC..Hα-helixtrans-54-30.8172-56.5-64.8000114F408 H409 E412 Y443 I472 V475F408-Y478 HydrophobicContact CB-CE1 4.49Å; H409-Y478 WeakPolarHBondContact CA-OH 3.48Å; H409-Y478 PolarHBondContact N-OH 3.07Å; E412-Y478 HydrophobicContact CB-CD1 4.22Å; E412-Y478 HydrophobicContact CB-CE1 3.81Å; E412-Y478 HydrophobicContact CG-CD1 4.2Å; E412-Y478 HydrophobicContact CG-CE1 4.15Å; E412-Y478 WeakPolarHBondContact OE1-CA 3.43Å; E412-Y478 WeakPolarHBondContact OE1-CD1 3.2Å; E412-Y478 PolarHBondContact OE1-N 3.26Å; E412-Y478 WeakPolarHBondContact OE2-CE1 3.38Å; Y443-Y478 HydrophobicContact CE2-CD1 4.08Å; Y443-Y478 HydrophobicContact CE2-CE1 4.25Å; Y443-Y478 AromaticContact CZ-CD1 3.94Å; Y443-Y478 WeakPolarHBondContact OH-CD1 3.46Å; I472-Y478 HydrophobicContact CB-CD2 4.47Å; I472-Y478 HydrophobicContact CG2-CG 4.42Å; V475-Y478 HydrophobicContact CB-CD2 3.79Å; V475-Y478 HydrophobicContact CB-CE2 4.05Å; V475-Y478 HydrophobicContact CG1-CD2 3.62Å; V475-Y478 HydrophobicContact CG1-CE2 3.84Å; V475-Y478 HydrophobicContact CG2-CE2 4.38Å
479R83.2Confident83.1Confident8 Ų834.9 Ų34.93%0.0316%0.162CC..Hα-helixtrans-78.8-25.9178.3-73.6-175.7-75.1110.8-9.5112.9F473 Y474 V475 M476 E477 F509 V525 Y695F473-R479 WeakPolarHBondContact O-CD 3.27Å; F473-R479 PolarHBondContact O-NE 2.87Å; Y474-R479 PolarHBondContact O-NH2 3.28Å; V475-R479 PolarHBondContact O-NE 3.34Å; V475-R479 PolarHBondContact O-NH2 3.41Å; V475-R479 VanDerWaalsContact O-NH2 3.1Å; M476-R479 WeakPolarHBondContact O-CB 3.27Å; M476-R479 PolarHBondContact O-N 3.32Å; E477-R479 PolarHBondContact O-N 3.17Å; R479-F509 HydrophobicContact CG-CE1 4.48Å; R479-F509 HydrophobicContact CG-CZ 4Å; R479-V525 VanDerWaalsContact NH2-CG1 3.34Å; R479-Y695 HydrophobicContact CB-CE2 4.25Å; R479-Y695 WeakPolarHBondContact O-CE2 3.46Å; R479-Y695 PolarHBondContact O-OH 2.92Å
480E85.1Confident82.7Confident29 Ų2938.4 Ų38.414%0.13618%0.182CC..Hα-helixtrans-95-20.8176.5-64.3-54.5142.300113.2M476 E477 F482 L483 T484 R698M476-E480 PolarHBondContact O-N 3.23Å; E477-E480 PolarHBondContact O-N 3.08Å; E480-F482 PolarHBondContact O-N 3.06Å; E480-L483 WeakPolarHBondContact O-CB 3.35Å; E480-L483 PolarHBondContact O-N 2.99Å; E480-L483 WeakPolarHBondContact OE2-CD1 3.07Å; E480-T484 PolarHBondContact O-N 2.55Å; E480-T484 PolarHBondContact O-OG1 3.01Å; E480-T484 VanDerWaalsContact O-OG1 3.14Å; E480-R698 IonicContact OE1-CZ 3.88Å; E480-R698 IonicContact OE1-NE 3.61Å; E480-R698 PolarHBondContact OE1-NE 2.95Å; E480-R698 IonicContact OE1-NH1 2.72Å; E480-R698 PolarHBondContact OE1-NH1 2.87Å; E480-R698 IonicContact OE1-NH2 3.31Å; E480-R698 PolarHBondContact OE1-NH2 3.14Å; E480-R698 VanDerWaalsContact OE1-NH2 3.08Å; E480-R698 IonicContact OE2-CZ 3.69Å; E480-R698 IonicContact OE2-NE 3.82Å; E480-R698 PolarHBondContact OE2-NE 2.9Å; E480-R698 IonicContact OE2-NH2 2.75Å; E480-R698 PolarHBondContact OE2-NH2 3.29Å
481L85.1Confident82.3Confident14 Ų1441.9 Ų41.97%0.07320%0.197CC..Hα-helixtrans-40.6-65.8175.3-18061.9000112.5L415 Y443 E477 L483 T484 L485L415-L481 HydrophobicContact CD2-CD1 3.98Å; L415-L481 HydrophobicContact CD2-CD2 4.04Å; L415-L481 HydrophobicContact CD2-CG 4.4Å; L415-L481 HydrophobicContact CG-CD1 4.28Å; Y443-L481 HydrophobicContact CE1-CD2 4.5Å; E477-L481 PolarHBondContact O-N 3.44Å; L481-L483 VanDerWaalsContact C-N 3.29Å; L481-L483 PolarHBondContact O-N 2.99Å; L481-T484 WeakPolarHBondContact O-CA 3.06Å; L481-T484 WeakPolarHBondContact O-CB 3.22Å; L481-T484 PolarHBondContact O-N 2.75Å; L481-L485 HydrophobicContact CD1-CD2 4.29Å; L481-L485 HydrophobicContact CD1-CG 4.4Å; L481-L485 WeakPolarHBondContact O-CG 3.46Å; L481-L485 PolarHBondContact O-N 3.42Å
482F87.2Confident81.7Confident1 Ų145.5 Ų45.50%0.00421%0.206CC..Hα-helixtrans-60.1-34.2-178.4-60.3-66.8000114L440 Y443 L447 E480 L485 F486 L502 T505 F509L440-F482 HydrophobicContact CD1-CE1 4.25Å; Y443-F482 AromaticContact CD1-CZ 3.81Å; Y443-F482 HydrophobicContact CD1-CZ 3.81Å; Y443-F482 HydrophobicContact CE1-CE2 4.14Å; Y443-F482 AromaticContact CE1-CZ 3.66Å; Y443-F482 HydrophobicContact CE1-CZ 3.66Å; L447-F482 HydrophobicContact CD1-CZ 4.19Å; E480-F482 PolarHBondContact O-N 3.06Å; F482-L485 PolarHBondContact O-N 3.5Å; F482-F486 VanDerWaalsContact O-CD2 3.29Å; F482-F486 WeakPolarHBondContact O-CD2 3.39Å; F482-F486 PolarHBondContact O-N 2.99Å; F482-L502 HydrophobicContact CD1-CD1 3.98Å; F482-T505 HydrophobicContact CE1-CG2 3.46Å; F482-T505 VanDerWaalsContact CE1-CG2 3.46Å; F482-T505 HydrophobicContact CZ-CG2 3.62Å; F482-F509 HydrophobicContact CD2-CB 4.46Å; F482-F509 HydrophobicContact CD2-CD1 4.13Å; F482-F509 HydrophobicContact CD2-CD2 4.43Å; F482-F509 HydrophobicContact CD2-CE1 4.49Å; F482-F509 HydrophobicContact CD2-CG 4.1Å; F482-F509 HydrophobicContact CE2-CB 3.97Å; F482-F509 HydrophobicContact CE2-CD1 4.17Å; F482-F509 AromaticContact CE2-CD2 3.69Å; F482-F509 HydrophobicContact CE2-CD2 3.69Å; F482-F509 HydrophobicContact CE2-CE2 4.15Å; F482-F509 AromaticContact CE2-CG 3.68Å; F482-F509 HydrophobicContact CE2-CG 3.68Å
483L85.3Confident81Confident0 Ų047.2 Ų47.20%022%0.218CC..Hα-helixtrans-68.4-39.3176.3-79.1165.4000111.4E480 L481 R487 Y695 R698 F699E480-L483 WeakPolarHBondContact O-CB 3.35Å; E480-L483 PolarHBondContact O-N 2.99Å; E480-L483 WeakPolarHBondContact OE2-CD1 3.07Å; L481-L483 VanDerWaalsContact C-N 3.29Å; L481-L483 PolarHBondContact O-N 2.99Å; L483-R487 WeakPolarHBondContact O-CB 3.25Å; L483-R487 WeakPolarHBondContact O-CD 3.44Å; L483-R487 WeakPolarHBondContact O-CG 3.37Å; L483-R487 PolarHBondContact O-N 3.36Å; L483-R487 VanDerWaalsContact O-N 3.13Å; L483-Y695 HydrophobicContact CD1-CD2 4.48Å; L483-Y695 HydrophobicContact CD1-CE2 3.79Å; L483-R698 HydrophobicContact CD1-CB 3.58Å; L483-R698 HydrophobicContact CD1-CG 4.29Å; L483-R698 HydrophobicContact CD2-CB 3.86Å; L483-R698 HydrophobicContact CG-CB 4.41Å; L483-F699 HydrophobicContact CD1-CE2 4.14Å; L483-F699 HydrophobicContact CD1-CZ 4.31Å; L483-F699 HydrophobicContact CD2-CB 4.35Å; L483-F699 HydrophobicContact CD2-CD1 3.57Å; L483-F699 HydrophobicContact CD2-CD2 3.71Å; L483-F699 HydrophobicContact CD2-CE1 3.63Å; L483-F699 HydrophobicContact CD2-CE2 3.77Å; L483-F699 HydrophobicContact CD2-CG 3.6Å; L483-F699 HydrophobicContact CD2-CZ 3.74Å; L483-F699 HydrophobicContact CG-CD1 4.36Å; L483-F699 HydrophobicContact CG-CD2 4.37Å; L483-F699 HydrophobicContact CG-CE1 3.92Å; L483-F699 HydrophobicContact CG-CE2 3.92Å; L483-F699 HydrophobicContact CG-CZ 3.68Å
484T85.8Confident80.9Confident45 Ų4547.3 Ų47.328%0.27622%0.218SC..Hα-helixtrans-65-46.5173.7-62.50000110.4E480 L481 F486 R487 K488E480-T484 PolarHBondContact O-N 2.55Å; E480-T484 PolarHBondContact O-OG1 3.01Å; E480-T484 VanDerWaalsContact O-OG1 3.14Å; L481-T484 WeakPolarHBondContact O-CA 3.06Å; L481-T484 WeakPolarHBondContact O-CB 3.22Å; L481-T484 PolarHBondContact O-N 2.75Å; T484-F486 PolarHBondContact O-N 2.96Å; T484-R487 PolarHBondContact O-N 3.4Å; T484-K488 HydrophobicContact CG2-CD 3.53Å; T484-K488 WeakPolarHBondContact O-CB 3.49Å; T484-K488 WeakPolarHBondContact O-CD 3.49Å; T484-K488 PolarHBondContact O-N 2.96Å; T484-K488 VanDerWaalsContact O-N 3.1Å
485L85Confident81Confident4 Ų443.4 Ų43.42%0.02121%0.205CC..Hα-helixtrans-59.5-46.6178.6-58.3-158.7000112.2L415 M436 L440 L481 F482 R487 K488 F489 F498 L502L415-L485 HydrophobicContact CD2-CD1 4.44Å; M436-L485 HydrophobicContact CE-CD1 4.22Å; M436-L485 HydrophobicContact CE-CD2 3.5Å; M436-L485 VanDerWaalsContact CE-CD2 3.5Å; M436-L485 HydrophobicContact CE-CG 4.34Å; L440-L485 HydrophobicContact CD1-CD1 4.35Å; L481-L485 HydrophobicContact CD1-CD2 4.29Å; L481-L485 HydrophobicContact CD1-CG 4.4Å; L481-L485 WeakPolarHBondContact O-CG 3.46Å; L481-L485 PolarHBondContact O-N 3.42Å; F482-L485 PolarHBondContact O-N 3.5Å; L485-R487 PolarHBondContact O-N 3.02Å; L485-K488 CarbonylContact O-C 3.04Å; L485-K488 PolarHBondContact O-N 3.33Å; L485-F489 PolarHBondContact O-N 3.04Å; L485-F489 VanDerWaalsContact O-N 3.13Å; L485-F498 HydrophobicContact CD1-CZ 4.45Å; L485-L502 HydrophobicContact CB-CD1 3.96Å; L485-L502 HydrophobicContact CB-CD2 4.08Å; L485-L502 HydrophobicContact CD1-CD1 3.84Å; L485-L502 HydrophobicContact CG-CD1 4.47Å
486F85.3Confident81.2Confident3 Ų343.1 Ų43.11%0.01320%0.198CC..Hα-helixtrans-68.3-30.8176.9-82.7-63.4000114.4F482 T484 K488 L499 L502 V503 T506 F699 V704 A707 Y708F482-F486 VanDerWaalsContact O-CD2 3.29Å; F482-F486 WeakPolarHBondContact O-CD2 3.39Å; F482-F486 PolarHBondContact O-N 2.99Å; T484-F486 PolarHBondContact O-N 2.96Å; F486-K488 VanDerWaalsContact C-N 3.3Å; F486-L499 HydrophobicContact CE1-CD1 4.04Å; F486-L502 HydrophobicContact CD1-CD2 3.78Å; F486-L502 HydrophobicContact CD1-CG 4.4Å; F486-L502 HydrophobicContact CD2-CD2 4.38Å; F486-L502 HydrophobicContact CD2-CG 4.45Å; F486-L502 HydrophobicContact CE1-CD2 3.75Å; F486-L502 HydrophobicContact CE1-CG 3.96Å; F486-L502 HydrophobicContact CE2-CD2 4.35Å; F486-L502 HydrophobicContact CE2-CG 4.02Å; F486-L502 HydrophobicContact CG-CD2 4.09Å; F486-L502 HydrophobicContact CZ-CD2 4.05Å; F486-L502 HydrophobicContact CZ-CG 3.75Å; F486-V503 HydrophobicContact CE1-CG2 3.91Å; F486-V503 HydrophobicContact CZ-CG2 3.79Å; F486-T506 HydrophobicContact CE2-CG2 3.98Å; F486-T506 WeakPolarHBondContact CE2-OG1 3.46Å; F486-F699 HydrophobicContact CD2-CE1 4.46Å; F486-V704 HydrophobicContact CB-CB 4.48Å; F486-V704 HydrophobicContact CB-CG1 4.3Å; F486-V704 HydrophobicContact CB-CG2 3.97Å; F486-V704 HydrophobicContact CD2-CG1 4.44Å; F486-V704 HydrophobicContact CG-CG1 4.22Å; F486-A707 HydrophobicContact CD1-CB 4.1Å; F486-A707 HydrophobicContact CE1-CB 4.44Å; F486-Y708 HydrophobicContact CD1-CE2 4.39Å; F486-Y708 HydrophobicContact CE1-CD2 4.22Å; F486-Y708 AromaticContact CE1-CE2 3.7Å; F486-Y708 HydrophobicContact CE1-CE2 3.7Å; F486-Y708 AromaticContact CE2-CE2 3.99Å; F486-Y708 HydrophobicContact CE2-CE2 3.99Å; F486-Y708 HydrophobicContact CZ-CD2 4.41Å; F486-Y708 AromaticContact CZ-CE2 3.47Å; F486-Y708 HydrophobicContact CZ-CE2 3.47Å; F486-Y708 VanDerWaalsContact CZ-CE2 3.47Å; F486-Y708 AromaticContact CZ-CZ 3.74Å
487R83.9Confident81.5Confident112 Ų11242.4 Ų42.442%0.42320%0.196SC..Hα-helixtrans-71.2-29.5177.8-76.9168.1-176177.13.1112.3L483 T484 L485L483-R487 WeakPolarHBondContact O-CB 3.25Å; L483-R487 WeakPolarHBondContact O-CD 3.44Å; L483-R487 WeakPolarHBondContact O-CG 3.37Å; L483-R487 PolarHBondContact O-N 3.36Å; L483-R487 VanDerWaalsContact O-N 3.13Å; T484-R487 PolarHBondContact O-N 3.4Å; L485-R487 PolarHBondContact O-N 3.02Å
488K78.6Confident81.9Confident90 Ų9038.5 Ų38.539%0.39118%0.178SC..THydrogen-bonded Turntrans-114.225.7-173.6-68140.6151-108.30112.3Y419 T484 L485 F486Y419-K488 HydrophobicContact CE1-CD 4.11Å; Y419-K488 HydrophobicContact CE2-CB 3.68Å; Y419-K488 HydrophobicContact CE2-CD 4.35Å; Y419-K488 HydrophobicContact CE2-CG 4.4Å; Y419-K488 VanDerWaalsContact OH-CB 3.25Å; Y419-K488 WeakPolarHBondContact OH-CB 3.45Å; Y419-K488 WeakPolarHBondContact OH-CD 3.22Å; Y419-K488 WeakPolarHBondContact OH-CE 3.31Å; Y419-K488 WeakPolarHBondContact OH-CG 3.48Å; Y419-K488 PolarHBondContact OH-NZ 3.03Å; T484-K488 HydrophobicContact CG2-CD 3.53Å; T484-K488 WeakPolarHBondContact O-CB 3.49Å; T484-K488 WeakPolarHBondContact O-CD 3.49Å; T484-K488 PolarHBondContact O-N 2.96Å; T484-K488 VanDerWaalsContact O-N 3.1Å; L485-K488 CarbonylContact O-C 3.04Å; L485-K488 PolarHBondContact O-N 3.33Å; F486-K488 VanDerWaalsContact C-N 3.3Å
489F82.3Confident82.2Confident36 Ų3638 Ų3816%0.15818%0.176CC..  trans-76.6127.5175.6169.8-93000111.2L485 E491 Q494 F498 L499 L710L485-F489 PolarHBondContact O-N 3.04Å; L485-F489 VanDerWaalsContact O-N 3.13Å; F489-E491 HydrophobicContact CE1-CB 4.31Å; F489-Q494 VanDerWaalsContact CA-OE1 3.3Å; F489-Q494 HydrophobicContact CD2-CB 4.22Å; F489-Q494 HydrophobicContact CE2-CB 3.81Å; F489-F498 AromaticContact CD2-CD1 3.99Å; F489-F498 HydrophobicContact CD2-CD1 3.99Å; F489-F498 HydrophobicContact CD2-CE1 4.1Å; F489-F498 HydrophobicContact CE2-CD1 4.07Å; F489-L499 HydrophobicContact CD2-CD1 4.47Å; F489-L499 HydrophobicContact CE1-CD2 4.14Å; F489-L499 HydrophobicContact CE2-CB 3.8Å; F489-L499 HydrophobicContact CE2-CD1 4.45Å; F489-L499 HydrophobicContact CE2-CD2 4.41Å; F489-L499 HydrophobicContact CE2-CG 4.44Å; F489-L499 HydrophobicContact CZ-CB 4.05Å; F489-L499 HydrophobicContact CZ-CD2 3.91Å; F489-L499 HydrophobicContact CZ-CG 4.43Å; F489-L710 HydrophobicContact CE1-CD2 4.03Å
490D76.8Confident82.5Confident84 Ų8441.8 Ų41.845%0.44919%0.19SC..  trans-124.2109-175.1-114.9-35.4000112.6R492 C493 Q494D490-R492 PolarHBondContact O-N 3.42Å; D490-C493 PolarHBondContact O-N 3.14Å; D490-Q494 PolarHBondContact O-N 3.13Å
491E76.2Confident82.8Confident102 Ų10240.6 Ų40.648%0.47719%0.185SC..THydrogen-bonded Turntrans-57.8-17.3-176.3-174.3173.2-168.200113.9A324 A325 F489 L710A324-E491 VanDerWaalsContact CA-O 3.27Å; A324-E491 WeakPolarHBondContact CA-O 3.33Å; A324-E491 HydrophobicContact CB-CG 4.12Å; A325-E491 PolarHBondContact N-O 3.49Å; F489-E491 HydrophobicContact CE1-CB 4.31Å; E491-L710 HydrophobicContact CG-CD2 4.17Å
492R71.6Confident83.1Confident143 Ų14340 Ų4054%0.5418%0.181SC..THydrogen-bonded Turntrans-82.2-34.9178.2-58.8179.3-168.9162.65.7113.5D490D490-R492 PolarHBondContact O-N 3.42Å
493C69.6Low83.3Confident40 Ų4039.9 Ų39.927%0.2718%0.181SC..THydrogen-bonded Turntrans-106.4-38-171-59.50000111.7A433 D490A433-C493 HydrophobicContact CB-CB 4.42Å; A433-C493 WeakPolarHBondContact CB-O 3.49Å; D490-C493 PolarHBondContact O-N 3.14Å
494Q79.9Confident83.6Confident3 Ų341 Ų411%0.01419%0.186CC..SBendtrans-97.2126.9-176.1-70.6162.5-17.200110.7M422 A433 M436 F489 D490 F498M422-Q494 HydrophobicContact SD-CG 4.41Å; A433-Q494 HydrophobicContact CB-CG 4.08Å; M436-Q494 PolarHBondContact SD-NE2 3.47Å; F489-Q494 VanDerWaalsContact CA-OE1 3.3Å; F489-Q494 HydrophobicContact CD2-CB 4.22Å; F489-Q494 HydrophobicContact CE2-CB 3.81Å; D490-Q494 PolarHBondContact O-N 3.13Å; Q494-F498 HydrophobicContact CB-CB 4.44Å; Q494-F498 HydrophobicContact CB-CD1 3.86Å; Q494-F498 HydrophobicContact CB-CE1 4.46Å; Q494-F498 HydrophobicContact CB-CG 4.28Å; Q494-F498 HydrophobicContact CG-CD1 4.02Å; Q494-F498 HydrophobicContact CG-CE1 4.19Å; Q494-F498 HydrophobicContact CG-CG 4.45Å
495P81Confident83.8Confident17 Ų1738.9 Ų38.911%0.1117%0.173CC..  trans-71.6162.5-17930.4-35.9000112.1A325 S497 F498 L499A325-P495 HydrophobicContact CB-CB 4.33Å; P495-S497 WeakPolarHBondContact CG-OG 3.4Å; P495-S497 PolarHBondContact O-N 2.96Å; P495-S497 VanDerWaalsContact O-N 3.15Å; P495-F498 HydrophobicContact CG-CB 4.22Å; P495-F498 WeakPolarHBondContact O-CB 3.25Å; P495-F498 PolarHBondContact O-N 3.07Å; P495-L499 PolarHBondContact O-N 3.23Å
496R83.1Confident84.1Confident49 Ų4938.7 Ų38.719%0.18517%0.172CC..Hα-helixtrans-54.1-35.1176-175.6-175.3177.971.85.6113E327 L499 R500 L711 S714 N718E327-R496 HydrophobicContact CG-CB 4.19Å; E327-R496 WeakPolarHBondContact OE1-CB 3.39Å; E327-R496 WeakPolarHBondContact OE1-CD 3.41Å; R496-L499 PolarHBondContact O-N 3.22Å; R496-R500 PolarHBondContact O-N 2.93Å; R496-L711 HydrophobicContact CG-CD1 4.23Å; R496-L711 PolarHBondContact NH2-O 3.3Å; R496-S714 PolarHBondContact NH1-OG 3.03Å; R496-N718 PolarHBondContact NH2-OD1 3.06Å
497S84.7Confident84.4Confident17 Ų1739.4 Ų39.412%0.11918%0.176CC..Hα-helixtrans-61.1-40.3177.347.90000112.6H437 P495 L499 R500 D501H437-S497 PolarHBondContact CE1-OG 3.23Å; P495-S497 WeakPolarHBondContact CG-OG 3.4Å; P495-S497 PolarHBondContact O-N 2.96Å; P495-S497 VanDerWaalsContact O-N 3.15Å; S497-L499 VanDerWaalsContact C-N 3.32Å; S497-L499 PolarHBondContact O-N 3.39Å; S497-R500 WeakPolarHBondContact O-CB 3.23Å; S497-R500 PolarHBondContact O-N 3.17Å; S497-D501 WeakPolarHBondContact O-CB 3.39Å; S497-D501 PolarHBondContact O-N 3.24Å
498F88.5Confident84.8Confident0 Ų035.5 Ų35.50%016%0.163CC..Hα-helixtrans-58.5-44.4172.7175.6-94.7000111.5M436 H437 L440 L485 F489 Q494 P495 D501 L502M436-F498 HydrophobicContact CE-CE2 4.21Å; M436-F498 HydrophobicContact CE-CZ 3.69Å; M436-F498 HydrophobicContact CG-CE2 4.09Å; M436-F498 HydrophobicContact CG-CZ 4.47Å; M436-F498 HydrophobicContact SD-CE2 4.07Å; M436-F498 HydrophobicContact SD-CZ 3.94Å; H437-F498 HydrophobicContact CB-CB 4.47Å; H437-F498 HydrophobicContact CB-CD2 3.83Å; H437-F498 AromaticContact CD2-CD2 3.87Å; H437-F498 AromaticContact CG-CD2 4Å; L440-F498 HydrophobicContact CB-CE2 4.27Å; L440-F498 HydrophobicContact CD2-CD2 3.71Å; L440-F498 HydrophobicContact CD2-CE2 3.42Å; L440-F498 VanDerWaalsContact CD2-CE2 3.42Å; L440-F498 HydrophobicContact CD2-CG 4.46Å; L440-F498 HydrophobicContact CD2-CZ 3.95Å; L440-F498 HydrophobicContact CG-CE2 4.48Å; L485-F498 HydrophobicContact CD1-CZ 4.45Å; F489-F498 AromaticContact CD2-CD1 3.99Å; F489-F498 HydrophobicContact CD2-CD1 3.99Å; F489-F498 HydrophobicContact CD2-CE1 4.1Å; F489-F498 HydrophobicContact CE2-CD1 4.07Å; Q494-F498 HydrophobicContact CB-CB 4.44Å; Q494-F498 HydrophobicContact CB-CD1 3.86Å; Q494-F498 HydrophobicContact CB-CE1 4.46Å; Q494-F498 HydrophobicContact CB-CG 4.28Å; Q494-F498 HydrophobicContact CG-CD1 4.02Å; Q494-F498 HydrophobicContact CG-CE1 4.19Å; Q494-F498 HydrophobicContact CG-CG 4.45Å; P495-F498 HydrophobicContact CG-CB 4.22Å; P495-F498 WeakPolarHBondContact O-CB 3.25Å; P495-F498 PolarHBondContact O-N 3.07Å; F498-D501 PolarHBondContact O-N 2.99Å; F498-L502 HydrophobicContact CE1-CD2 4.07Å; F498-L502 WeakPolarHBondContact O-CB 3.44Å; F498-L502 PolarHBondContact O-N 3.34Å
499L88.7Confident85.3Confident2 Ų231.2 Ų31.21%0.0115%0.145CC..Hα-helixtrans-67.9-34.2178.3179.258.7000113.2F486 F489 P495 R496 S497 V503 A707 L710 L711F486-L499 HydrophobicContact CE1-CD1 4.04Å; F489-L499 HydrophobicContact CD2-CD1 4.47Å; F489-L499 HydrophobicContact CE1-CD2 4.14Å; F489-L499 HydrophobicContact CE2-CB 3.8Å; F489-L499 HydrophobicContact CE2-CD1 4.45Å; F489-L499 HydrophobicContact CE2-CD2 4.41Å; F489-L499 HydrophobicContact CE2-CG 4.44Å; F489-L499 HydrophobicContact CZ-CB 4.05Å; F489-L499 HydrophobicContact CZ-CD2 3.91Å; F489-L499 HydrophobicContact CZ-CG 4.43Å; P495-L499 PolarHBondContact O-N 3.23Å; R496-L499 PolarHBondContact O-N 3.22Å; S497-L499 VanDerWaalsContact C-N 3.32Å; S497-L499 PolarHBondContact O-N 3.39Å; L499-V503 HydrophobicContact CD1-CG2 4.32Å; L499-V503 WeakPolarHBondContact O-CB 3.36Å; L499-V503 VanDerWaalsContact O-CG2 3.27Å; L499-V503 WeakPolarHBondContact O-CG2 3.32Å; L499-V503 PolarHBondContact O-N 3.2Å; L499-A707 HydrophobicContact CD1-CB 3.86Å; L499-L710 HydrophobicContact CD2-CB 4.43Å; L499-L710 HydrophobicContact CD2-CD2 4.18Å; L499-L710 HydrophobicContact CD2-CG 4.45Å; L499-L711 HydrophobicContact CD2-CB 4.09Å; L499-L711 HydrophobicContact CG-CB 4.26Å; L499-L711 HydrophobicContact CG-CD1 4.33Å
500R89.4Confident85.7Confident87 Ų8729.5 Ų29.533%0.32814%0.137SC..Hα-helixtrans-61-55171.7179.9-166.667.3-175.62.2110.3R496 S497 L502 V503 E504 L711 T722R496-R500 PolarHBondContact O-N 2.93Å; S497-R500 WeakPolarHBondContact O-CB 3.23Å; S497-R500 PolarHBondContact O-N 3.17Å; R500-L502 VanDerWaalsContact C-N 3.33Å; R500-L502 PolarHBondContact O-N 2.79Å; R500-V503 WeakPolarHBondContact O-CB 3.39Å; R500-V503 PolarHBondContact O-N 3.37Å; R500-V503 VanDerWaalsContact O-N 3.14Å; R500-E504 PolarHBondContact O-N 3.43Å; R500-E504 VanDerWaalsContact O-N 3.07Å; R500-L711 HydrophobicContact CB-CD1 4.2Å; R500-T722 HydrophobicContact CG-CG2 3.77Å
501D89.9Confident86.3Confident4 Ų429.5 Ų29.52%0.02113%0.133CC..Hα-helixtrans-65.8-38.4-173.4-60.4-5.4000110.2H437 K441 S497 F498 V503 E504 T505H437-D501 IonicContact CD2-OD2 2.68Å; H437-D501 IonicContact CE1-OD2 3.37Å; H437-D501 IonicContact NE2-OD2 3.75Å; H437-D501 PolarHBondContact NE2-OD2 3.22Å; K441-D501 WeakPolarHBondContact CE-OD2 3.46Å; S497-D501 WeakPolarHBondContact O-CB 3.39Å; S497-D501 PolarHBondContact O-N 3.24Å; F498-D501 PolarHBondContact O-N 2.99Å; D501-V503 PolarHBondContact O-N 2.75Å; D501-E504 PolarHBondContact O-N 2.99Å; D501-T505 WeakPolarHBondContact O-CB 3.41Å; D501-T505 PolarHBondContact O-N 3.08Å; D501-T505 PolarHBondContact O-OG1 3.47Å
502L91.9Very high86.8Confident0 Ų025 Ų250%011%0.112CC..Hα-helixtrans-60.4-41172.8-176.360.9000113.1L440 F482 L485 F486 F498 R500 T506L440-L502 HydrophobicContact CD1-CD1 4.14Å; L440-L502 HydrophobicContact CD2-CB 3.82Å; L440-L502 HydrophobicContact CD2-CD1 4.08Å; F482-L502 HydrophobicContact CD1-CD1 3.98Å; L485-L502 HydrophobicContact CB-CD1 3.96Å; L485-L502 HydrophobicContact CB-CD2 4.08Å; L485-L502 HydrophobicContact CD1-CD1 3.84Å; L485-L502 HydrophobicContact CG-CD1 4.47Å; F486-L502 HydrophobicContact CD1-CD2 3.78Å; F486-L502 HydrophobicContact CD1-CG 4.4Å; F486-L502 HydrophobicContact CD2-CD2 4.38Å; F486-L502 HydrophobicContact CD2-CG 4.45Å; F486-L502 HydrophobicContact CE1-CD2 3.75Å; F486-L502 HydrophobicContact CE1-CG 3.96Å; F486-L502 HydrophobicContact CE2-CD2 4.35Å; F486-L502 HydrophobicContact CE2-CG 4.02Å; F486-L502 HydrophobicContact CG-CD2 4.09Å; F486-L502 HydrophobicContact CZ-CD2 4.05Å; F486-L502 HydrophobicContact CZ-CG 3.75Å; F498-L502 HydrophobicContact CE1-CD2 4.07Å; F498-L502 WeakPolarHBondContact O-CB 3.44Å; F498-L502 PolarHBondContact O-N 3.34Å; R500-L502 VanDerWaalsContact C-N 3.33Å; R500-L502 PolarHBondContact O-N 2.79Å; L502-T506 VanDerWaalsContact O-CB 3.27Å; L502-T506 WeakPolarHBondContact O-CB 3.4Å; L502-T506 PolarHBondContact O-N 3.41Å; L502-T506 PolarHBondContact O-OG1 3.44Å
503V91.6Very high87.5Confident0 Ų018.1 Ų18.10%09%0.086CC..Hα-helixtrans-67.9-39.1177.8161.80000111.6F486 L499 R500 D501 H507 Y708 L711 C725 I726F486-V503 HydrophobicContact CE1-CG2 3.91Å; F486-V503 HydrophobicContact CZ-CG2 3.79Å; L499-V503 HydrophobicContact CD1-CG2 4.32Å; L499-V503 WeakPolarHBondContact O-CB 3.36Å; L499-V503 VanDerWaalsContact O-CG2 3.27Å; L499-V503 WeakPolarHBondContact O-CG2 3.32Å; L499-V503 PolarHBondContact O-N 3.2Å; R500-V503 WeakPolarHBondContact O-CB 3.39Å; R500-V503 PolarHBondContact O-N 3.37Å; R500-V503 VanDerWaalsContact O-N 3.14Å; D501-V503 PolarHBondContact O-N 2.75Å; V503-H507 WeakPolarHBondContact O-CB 3.31Å; V503-H507 PolarHBondContact O-N 3.08Å; V503-Y708 HydrophobicContact CB-CE1 4.25Å; V503-Y708 HydrophobicContact CG1-CD1 4.27Å; V503-Y708 HydrophobicContact CG1-CE1 3.64Å; V503-Y708 HydrophobicContact CG2-CD1 4.09Å; V503-Y708 HydrophobicContact CG2-CE1 3.73Å; V503-Y708 HydrophobicContact CG2-CE2 4.29Å; V503-L711 HydrophobicContact CB-CD2 3.98Å; V503-L711 HydrophobicContact CG1-CD2 4.16Å; V503-L711 HydrophobicContact CG2-CD2 3.85Å; V503-C725 HydrophobicContact CG1-CB 4.18Å; V503-I726 HydrophobicContact CG1-CG1 4.08Å
504E91Very high88.2Confident23 Ų2318.1 Ų18.111%0.1078%0.082CC..Hα-helixtrans-73.3-44.8179.7-70.5173.6-173.700111.4R500 D501 T506 H507 L508 T722 C725R500-E504 PolarHBondContact O-N 3.43Å; R500-E504 VanDerWaalsContact O-N 3.07Å; D501-E504 PolarHBondContact O-N 2.99Å; E504-T506 PolarHBondContact O-N 3.1Å; E504-H507 WeakPolarHBondContact O-CB 3.32Å; E504-H507 PolarHBondContact O-N 3Å; E504-L508 WeakPolarHBondContact O-CB 3.43Å; E504-L508 PolarHBondContact O-N 2.89Å; E504-T722 VanDerWaalsContact OE1-CA 3.24Å; E504-T722 WeakPolarHBondContact OE1-CA 3.36Å; E504-T722 WeakPolarHBondContact OE1-CB 3.34Å; E504-T722 PolarHBondContact OE1-OG1 3.43Å; E504-C725 HydrophobicContact CG-CB 4.49Å
505T91.1Very high88.4Confident0 Ų022.8 Ų22.80%010%0.1CC..Hα-helixtrans-58.9-45173.2-49.90000111.8L440 Q444 L447 F482 D501 H507 L508 F509L440-T505 HydrophobicContact CD1-CG2 4.47Å; Q444-T505 HydrophobicContact CB-CG2 4.13Å; Q444-T505 VanDerWaalsContact CB-OG1 3.25Å; Q444-T505 WeakPolarHBondContact CB-OG1 3.12Å; Q444-T505 VanDerWaalsContact CD-OG1 3.27Å; Q444-T505 HydrophobicContact CG-CG2 4.38Å; Q444-T505 WeakPolarHBondContact CG-OG1 3.36Å; Q444-T505 PolarHBondContact OE1-OG1 3.3Å; L447-T505 HydrophobicContact CD1-CG2 3.98Å; F482-T505 HydrophobicContact CE1-CG2 3.46Å; F482-T505 VanDerWaalsContact CE1-CG2 3.46Å; F482-T505 HydrophobicContact CZ-CG2 3.62Å; D501-T505 WeakPolarHBondContact O-CB 3.41Å; D501-T505 PolarHBondContact O-N 3.08Å; D501-T505 PolarHBondContact O-OG1 3.47Å; T505-H507 PolarHBondContact O-N 2.56Å; T505-L508 WeakPolarHBondContact O-CB 3.25Å; T505-L508 PolarHBondContact O-N 3.29Å; T505-F509 WeakPolarHBondContact O-CB 3.27Å; T505-F509 PolarHBondContact O-N 3.47Å
506T91.6Very high88.3Confident0 Ų022.9 Ų22.90%010%0.098CC..Hα-helixtrans-66.4-37.3177.2-57.60000111.8F486 L502 E504 L508 L510 F699F486-T506 HydrophobicContact CE2-CG2 3.98Å; F486-T506 WeakPolarHBondContact CE2-OG1 3.46Å; L502-T506 VanDerWaalsContact O-CB 3.27Å; L502-T506 WeakPolarHBondContact O-CB 3.4Å; L502-T506 PolarHBondContact O-N 3.41Å; L502-T506 PolarHBondContact O-OG1 3.44Å; E504-T506 PolarHBondContact O-N 3.1Å; T506-L508 VanDerWaalsContact C-N 3.34Å; T506-L510 HydrophobicContact CG2-CD1 3.93Å; T506-L510 HydrophobicContact CG2-CG 4.32Å; T506-L510 WeakPolarHBondContact O-CB 3.39Å; T506-L510 VanDerWaalsContact O-CG 3.29Å; T506-L510 WeakPolarHBondContact O-CG 3.28Å; T506-L510 PolarHBondContact O-N 3.26Å; T506-F699 HydrophobicContact CG2-CE1 3.75Å; T506-F699 HydrophobicContact CG2-CZ 4.17Å
507H92Very high88.1Confident18 Ų1822 Ų228%0.08310%0.099CC..Hα-helixtrans-61.4-45173.6177.2100.4000111.1V503 E504 T505 K511 C725V503-H507 WeakPolarHBondContact O-CB 3.31Å; V503-H507 PolarHBondContact O-N 3.08Å; E504-H507 WeakPolarHBondContact O-CB 3.32Å; E504-H507 PolarHBondContact O-N 3Å; T505-H507 PolarHBondContact O-N 2.56Å; H507-K511 VanDerWaalsContact O-CB 3.23Å; H507-K511 WeakPolarHBondContact O-CB 3.34Å; H507-K511 PolarHBondContact O-N 2.92Å; H507-C725 HydrophobicContact CB-CB 4.03Å
508L90.5Very high87.7Confident31 Ų3129.9 Ų29.916%0.16213%0.126CC..Hα-helixtrans-61.9-51.6178.6-173.464.6000111.4L447 A448 N451 E504 T505 T506 L510 K511 M512L447-L508 HydrophobicContact CB-CD2 3.88Å; A448-L508 HydrophobicContact CB-CD2 4.13Å; N451-L508 WeakPolarHBondContact ND2-CD1 3.15Å; E504-L508 WeakPolarHBondContact O-CB 3.43Å; E504-L508 PolarHBondContact O-N 2.89Å; T505-L508 WeakPolarHBondContact O-CB 3.25Å; T505-L508 PolarHBondContact O-N 3.29Å; T506-L508 VanDerWaalsContact C-N 3.34Å; L508-L510 PolarHBondContact O-N 3.15Å; L508-K511 WeakPolarHBondContact O-CB 3.28Å; L508-K511 PolarHBondContact O-N 3.19Å; L508-K511 VanDerWaalsContact O-N 3.09Å; L508-M512 WeakPolarHBondContact O-CG 3.49Å; L508-M512 PolarHBondContact O-N 3Å
509F90.9Very high86.8Confident0 Ų034.4 Ų34.40%016%0.158CC..Hα-helixtrans-56.3-49.5176.3-176.3-95.1000112.1L447 I472 F473 R479 F482 T505 K511 M512 L513 Y695L447-F509 HydrophobicContact CD1-CB 4.1Å; L447-F509 HydrophobicContact CD1-CD2 4.03Å; L447-F509 HydrophobicContact CD2-CD2 4.47Å; I472-F509 HydrophobicContact CG2-CE2 3.86Å; F473-F509 HydrophobicContact CD1-CE2 4.08Å; F473-F509 HydrophobicContact CD1-CZ 4.05Å; F473-F509 HydrophobicContact CE1-CD2 4.11Å; F473-F509 AromaticContact CE1-CE2 3.67Å; F473-F509 HydrophobicContact CE1-CE2 3.67Å; F473-F509 AromaticContact CE1-CZ 3.98Å; F473-F509 HydrophobicContact CE1-CZ 3.98Å; R479-F509 HydrophobicContact CG-CE1 4.48Å; R479-F509 HydrophobicContact CG-CZ 4Å; F482-F509 HydrophobicContact CD2-CB 4.46Å; F482-F509 HydrophobicContact CD2-CD1 4.13Å; F482-F509 HydrophobicContact CD2-CD2 4.43Å; F482-F509 HydrophobicContact CD2-CE1 4.49Å; F482-F509 HydrophobicContact CD2-CG 4.1Å; F482-F509 HydrophobicContact CE2-CB 3.97Å; F482-F509 HydrophobicContact CE2-CD1 4.17Å; F482-F509 AromaticContact CE2-CD2 3.69Å; F482-F509 HydrophobicContact CE2-CD2 3.69Å; F482-F509 HydrophobicContact CE2-CE2 4.15Å; F482-F509 AromaticContact CE2-CG 3.68Å; F482-F509 HydrophobicContact CE2-CG 3.68Å; T505-F509 WeakPolarHBondContact O-CB 3.27Å; T505-F509 PolarHBondContact O-N 3.47Å; F509-K511 VanDerWaalsContact C-N 3.27Å; F509-K511 PolarHBondContact O-N 2.74Å; F509-M512 PolarHBondContact O-N 3.44Å; F509-L513 HydrophobicContact CE1-CD2 4.14Å; F509-L513 WeakPolarHBondContact O-CB 3.5Å; F509-L513 PolarHBondContact O-N 2.92Å; F509-Y695 HydrophobicContact CE1-CE1 4.32Å
510L89.4Confident85.4Confident0 Ų039.4 Ų39.40%018%0.177CC..Hα-helixtrans-62.5-32.7176.9-74172.8000112.6T506 L508 E514 F692 Y695 L696 F699 M729T506-L510 HydrophobicContact CG2-CD1 3.93Å; T506-L510 HydrophobicContact CG2-CG 4.32Å; T506-L510 WeakPolarHBondContact O-CB 3.39Å; T506-L510 VanDerWaalsContact O-CG 3.29Å; T506-L510 WeakPolarHBondContact O-CG 3.28Å; T506-L510 PolarHBondContact O-N 3.26Å; L508-L510 PolarHBondContact O-N 3.15Å; L510-E514 WeakPolarHBondContact O-CB 3.47Å; L510-E514 PolarHBondContact O-N 3.3Å; L510-F692 HydrophobicContact CD2-CE2 4.07Å; L510-F692 HydrophobicContact CD2-CZ 4.46Å; L510-Y695 HydrophobicContact CD2-CD1 4.08Å; L510-Y695 HydrophobicContact CD2-CE1 3.64Å; L510-L696 HydrophobicContact CD1-CD2 4.13Å; L510-L696 HydrophobicContact CD2-CD2 3.94Å; L510-F699 HydrophobicContact CD2-CE2 4.22Å; L510-M729 HydrophobicContact CD1-CE 3.95Å; L510-M729 HydrophobicContact CD1-SD 3.67Å
511K89.6Confident83.5Confident83 Ų8338.6 Ų38.636%0.36120%0.195SC..Hα-helixtrans-72.7-35.5176.7178.2-175175.1-170.90112.1H507 L508 F509 R515H507-K511 VanDerWaalsContact O-CB 3.23Å; H507-K511 WeakPolarHBondContact O-CB 3.34Å; H507-K511 PolarHBondContact O-N 2.92Å; L508-K511 WeakPolarHBondContact O-CB 3.28Å; L508-K511 PolarHBondContact O-N 3.19Å; L508-K511 VanDerWaalsContact O-N 3.09Å; F509-K511 VanDerWaalsContact C-N 3.27Å; F509-K511 PolarHBondContact O-N 2.74Å; K511-R515 WeakPolarHBondContact O-CG 3.32Å; K511-R515 PolarHBondContact O-N 3.33Å
512M87.4Confident81.7Confident7 Ų743.1 Ų43.13%0.03422%0.22CC..Hα-helixtrans-65.8-50.6170.6-62.7164.289.300110.9L447 V450 N451 K469 F473 L508 F509 E514 R515 F516L447-M512 HydrophobicContact CB-SD 4.2Å; L447-M512 HydrophobicContact CD2-CE 4.05Å; L447-M512 HydrophobicContact CD2-SD 3.91Å; L447-M512 HydrophobicContact CG-SD 4.48Å; V450-M512 HydrophobicContact CB-CE 4.3Å; V450-M512 HydrophobicContact CG1-CE 3.78Å; N451-M512 WeakPolarHBondContact ND2-CG 3.47Å; N451-M512 PolarHBondContact ND2-SD 3.46Å; N451-M512 VanDerWaalsContact OD1-CG 3.27Å; N451-M512 WeakPolarHBondContact OD1-CG 3.44Å; K469-M512 HydrophobicContact CG-CE 4.42Å; F473-M512 HydrophobicContact CE2-CB 4.36Å; F473-M512 HydrophobicContact CZ-CB 3.62Å; F473-M512 HydrophobicContact CZ-CE 4.39Å; F473-M512 HydrophobicContact CZ-SD 4.48Å; L508-M512 WeakPolarHBondContact O-CG 3.49Å; L508-M512 PolarHBondContact O-N 3Å; F509-M512 PolarHBondContact O-N 3.44Å; M512-E514 VanDerWaalsContact C-N 3.33Å; M512-E514 PolarHBondContact O-N 3.47Å; M512-R515 WeakPolarHBondContact O-CA 3.45Å; M512-R515 WeakPolarHBondContact O-CB 3.39Å; M512-R515 PolarHBondContact O-N 2.95Å; M512-F516 WeakPolarHBondContact O-CB 3.2Å; M512-F516 PolarHBondContact O-N 2.87Å
513L85.3Confident80.2Confident0 Ų043.5 Ų43.50%022%0.221CC..Hα-helixtrans-62.3-39.7-178.3-17359.9000111.7F473 F509 R515 F516 C517 F690 F692 Y695F473-L513 HydrophobicContact CB-CD1 4.24Å; F473-L513 HydrophobicContact CD1-CD1 3.81Å; F473-L513 HydrophobicContact CD2-CD1 4.44Å; F473-L513 HydrophobicContact CE1-CB 4.27Å; F473-L513 HydrophobicContact CE1-CD1 4.32Å; F473-L513 HydrophobicContact CG-CD1 3.91Å; F509-L513 HydrophobicContact CE1-CD2 4.14Å; F509-L513 WeakPolarHBondContact O-CB 3.5Å; F509-L513 PolarHBondContact O-N 2.92Å; L513-R515 VanDerWaalsContact C-N 3.29Å; L513-R515 PolarHBondContact O-N 3.42Å; L513-F516 PolarHBondContact O-N 3.14Å; L513-C517 WeakPolarHBondContact O-CB 3.34Å; L513-C517 PolarHBondContact O-N 2.9Å; L513-C517 PolarHBondContact O-SG 3.09Å; L513-C517 VanDerWaalsContact O-SG 3.37Å; L513-F690 HydrophobicContact CD1-CE1 4.07Å; L513-F690 HydrophobicContact CD1-CZ 4.42Å; L513-F690 HydrophobicContact CD2-CE1 4.15Å; L513-F690 HydrophobicContact CD2-CZ 3.88Å; L513-F690 HydrophobicContact CG-CE1 4.18Å; L513-F690 HydrophobicContact CG-CZ 4.42Å; L513-F692 HydrophobicContact CB-CE2 4.4Å; L513-F692 HydrophobicContact CD2-CD2 4.24Å; L513-F692 HydrophobicContact CD2-CE2 4.38Å; L513-F692 HydrophobicContact CG-CD2 4.1Å; L513-F692 HydrophobicContact CG-CE2 4.31Å; L513-Y695 HydrophobicContact CD2-CD1 3.75Å; L513-Y695 HydrophobicContact CD2-CE1 3.66Å
514E84.9Confident78.7Confident39 Ų3946.3 Ų46.318%0.18224%0.238CC..Hα-helixtrans-63.4-30.7173.3-167.3-173.614400113L510 M512 R518 F692 R732L510-E514 WeakPolarHBondContact O-CB 3.47Å; L510-E514 PolarHBondContact O-N 3.3Å; M512-E514 VanDerWaalsContact C-N 3.33Å; M512-E514 PolarHBondContact O-N 3.47Å; E514-R518 WeakPolarHBondContact O-CD 3.47Å; E514-R518 VanDerWaalsContact O-CG 3.27Å; E514-R518 WeakPolarHBondContact O-CG 3.45Å; E514-R518 IonicContact OE1-CZ 3.68Å; E514-R518 IonicContact OE1-NH1 2.86Å; E514-R518 PolarHBondContact OE1-NH1 2.92Å; E514-R518 IonicContact OE1-NH2 2.72Å; E514-R518 PolarHBondContact OE1-NH2 3.24Å; E514-F692 HydrophobicContact CB-CE1 4.11Å; E514-F692 HydrophobicContact CB-CE2 4.05Å; E514-F692 HydrophobicContact CB-CZ 3.69Å; E514-F692 HydrophobicContact CG-CE1 3.89Å; E514-F692 HydrophobicContact CG-CZ 3.99Å; E514-R732 IonicContact OE2-CZ 3.88Å; E514-R732 IonicContact OE2-NE 3.36Å; E514-R732 IonicContact OE2-NH2 3.67Å; E514-R732 PolarHBondContact OE2-NH2 3.49Å
515R83.9Confident77.3Confident102 Ų10245.3 Ų45.339%0.38523%0.234SC..Hα-helixtrans-76-46.7172.7-74167.9165-173.1-9.5111.4K511 M512 L513 R518 S519K511-R515 WeakPolarHBondContact O-CG 3.32Å; K511-R515 PolarHBondContact O-N 3.33Å; M512-R515 WeakPolarHBondContact O-CA 3.45Å; M512-R515 WeakPolarHBondContact O-CB 3.39Å; M512-R515 PolarHBondContact O-N 2.95Å; L513-R515 VanDerWaalsContact C-N 3.29Å; L513-R515 PolarHBondContact O-N 3.42Å; R515-R518 WeakPolarHBondContact O-CB 3.48Å; R515-R518 PolarHBondContact O-N 2.93Å; R515-S519 PolarHBondContact O-N 3.43Å; R515-S519 PolarHBondContact O-OG 2.77Å
516F79.6Confident75.6Confident18 Ų1850.4 Ų50.48%0.07926%0.258CS..Hα-helixtrans-62.3-46.1-177.7-173.6-109.3000112.1K469 N470 F473 M512 L513 R518 S519 R520 L523K469-F516 HydrophobicContact CB-CE2 4.46Å; N470-F516 WeakPolarHBondContact OD1-CZ 3.29Å; F473-F516 HydrophobicContact CB-CD1 4.25Å; F473-F516 HydrophobicContact CB-CE1 4.05Å; F473-F516 HydrophobicContact CD2-CB 4.12Å; F473-F516 AromaticContact CD2-CD1 3.53Å; F473-F516 HydrophobicContact CD2-CD1 3.53Å; F473-F516 HydrophobicContact CD2-CD2 4.21Å; F473-F516 AromaticContact CD2-CE1 3.86Å; F473-F516 HydrophobicContact CD2-CE1 3.86Å; F473-F516 HydrophobicContact CD2-CE2 4.5Å; F473-F516 AromaticContact CD2-CG 3.71Å; F473-F516 HydrophobicContact CD2-CG 3.71Å; F473-F516 HydrophobicContact CD2-CZ 4.33Å; F473-F516 HydrophobicContact CE2-CB 4.05Å; F473-F516 HydrophobicContact CE2-CD1 4.32Å; F473-F516 HydrophobicContact CE2-CD2 4.47Å; F473-F516 HydrophobicContact CE2-CG 4.06Å; F473-F516 HydrophobicContact CG-CD1 4.23Å; F473-F516 HydrophobicContact CG-CE1 4.42Å; M512-F516 WeakPolarHBondContact O-CB 3.2Å; M512-F516 PolarHBondContact O-N 2.87Å; L513-F516 PolarHBondContact O-N 3.14Å; F516-R518 PolarHBondContact O-N 3.45Å; F516-S519 PolarHBondContact O-N 3.12Å; F516-S519 PolarHBondContact O-OG 2.97Å; F516-S519 VanDerWaalsContact O-OG 3.13Å; F516-R520 PolarHBondContact O-N 2.87Å; F516-L523 HydrophobicContact CD1-CD2 4.35Å; F516-L523 HydrophobicContact CE1-CD1 3.93Å; F516-L523 HydrophobicContact CE1-CD2 4.1Å
517C77.5Confident73.7Confident31 Ų3153 Ų5321%0.20927%0.271CS..Hα-helixtrans-70.7-5.1174.2-60.90000114.4L513 R520L513-C517 WeakPolarHBondContact O-CB 3.34Å; L513-C517 PolarHBondContact O-N 2.9Å; L513-C517 PolarHBondContact O-SG 3.09Å; L513-C517 VanDerWaalsContact O-SG 3.37Å; C517-R520 CarbonylContact C-O 3.6Å
518R77.8Confident71.8Confident183 Ų18358 Ų5869%0.69129%0.293SS*.Hα-helixtrans-98.6-29.3169.8-78.6179.5-179.1137.410.4112.9E514 R515 F516E514-R518 WeakPolarHBondContact O-CD 3.47Å; E514-R518 VanDerWaalsContact O-CG 3.27Å; E514-R518 WeakPolarHBondContact O-CG 3.45Å; E514-R518 IonicContact OE1-CZ 3.68Å; E514-R518 IonicContact OE1-NH1 2.86Å; E514-R518 PolarHBondContact OE1-NH1 2.92Å; E514-R518 IonicContact OE1-NH2 2.72Å; E514-R518 PolarHBondContact OE1-NH2 3.24Å; R515-R518 WeakPolarHBondContact O-CB 3.48Å; R515-R518 PolarHBondContact O-N 2.93Å; F516-R518 PolarHBondContact O-N 3.45Å
519S68.1Low69.3Low94 Ų9465.4 Ų65.466%0.65732%0.319SS*.Hα-helixtrans-83.4-34.3177.460.30000112.6R515 F516R515-S519 PolarHBondContact O-N 3.43Å; R515-S519 PolarHBondContact O-OG 2.77Å; F516-S519 PolarHBondContact O-N 3.12Å; F516-S519 PolarHBondContact O-OG 2.97Å; F516-S519 VanDerWaalsContact O-OG 3.13Å
520R60.1Low66.6Low108 Ų10875.2 Ų75.241%0.40836%0.361SS..SBendtrans-110.9114.5168.7-69.6-177173.51751.8109.6N470 F516 C517 N522N470-R520 PolarHBondContact OD1-NH1 2.98Å; F516-R520 PolarHBondContact O-N 2.87Å; C517-R520 CarbonylContact C-O 3.6Å; R520-N522 PolarHBondContact O-N 2.96Å
521G49.1Very low63.9Low70 Ų7082.4 Ų82.472%0.72239%0.393SS*.SBendtrans-62.2133.5172.600000110.8
522N52.6Low61.1Low99 Ų9990.5 Ų90.553%0.52942%0.421SS..SBendtrans45.770.2174-61.28.4000114.9R520 V524 E689R520-N522 PolarHBondContact O-N 2.96Å; N522-V524 PolarHBondContact O-N 3.42Å; N522-E689 HydrophobicContact CB-CG 4.38Å; N522-E689 PolarHBondContact ND2-OE1 2.96Å
523L60.3Low58.4Low7 Ų7101.8 Ų101.84%0.03746%0.463CS..  trans-48.4123.816317565.6000110.1F473 Y474 F516 V525 F690F473-L523 HydrophobicContact CB-CD2 4.45Å; Y474-L523 HydrophobicContact CD1-CD1 3.87Å; Y474-L523 HydrophobicContact CE1-CD1 3.33Å; Y474-L523 HydrophobicContact CE1-CG 4.49Å; Y474-L523 HydrophobicContact CE2-CD1 4.03Å; Y474-L523 HydrophobicContact CG-CD1 4.44Å; F516-L523 HydrophobicContact CD1-CD2 4.35Å; F516-L523 HydrophobicContact CE1-CD1 3.93Å; F516-L523 HydrophobicContact CE1-CD2 4.1Å; L523-V525 HydrophobicContact CD2-CG2 4.11Å; L523-V525 HydrophobicContact CG-CG2 4.13Å; L523-F690 HydrophobicContact CB-CB 4.16Å; L523-F690 HydrophobicContact CD2-CB 4.25Å; L523-F690 HydrophobicContact CD2-CD1 4.15Å; L523-F690 HydrophobicContact CD2-CG 4.22Å; L523-F690 HydrophobicContact CG-CB 4.21Å; L523-F690 WeakPolarHBondContact O-CB 3.18Å; L523-F690 PolarHBondContact O-N 3.03Å
524V60.7Low55.7Low59 Ų59111.3 Ų111.336%0.35851%0.505SS..EExtended strand (participates in β ladder)trans-88.5127.5174.7-179.80000109Y474 N522 E687Y474-V524 WeakPolarHBondContact CD1-O 3.38Å; Y474-V524 VanDerWaalsContact CE1-O 3.23Å; Y474-V524 WeakPolarHBondContact CE1-O 3.47Å; N522-V524 PolarHBondContact O-N 3.42Å; V524-E687 HydrophobicContact CG1-CB 3.63Å; V524-E687 HydrophobicContact CG1-CG 3.85Å
525V60.9Low53.1Low3 Ų3119.9 Ų119.92%0.01854%0.541CS..EExtended strand (participates in β ladder)trans-121.3132-176.9154.20000111.2R479 L523 N527 K688 F690R479-V525 VanDerWaalsContact NH2-CG1 3.34Å; L523-V525 HydrophobicContact CD2-CG2 4.11Å; L523-V525 HydrophobicContact CG-CG2 4.13Å; V525-N527 PolarHBondContact O-N 3.43Å; V525-N527 PolarHBondContact O-ND2 3.44Å; V525-N527 VanDerWaalsContact O-ND2 3.11Å; V525-K688 PolarHBondContact N-O 3.31Å; V525-K688 PolarHBondContact O-N 3.12Å; V525-F690 HydrophobicContact CB-CB 4.04Å; V525-F690 HydrophobicContact CB-CD2 4.34Å; V525-F690 HydrophobicContact CG2-CB 3.74Å; V525-F690 HydrophobicContact CG2-CD2 3.89Å; V525-F690 HydrophobicContact CG2-CG 4.07Å
526Q56.3Low50.5Low107 Ų107124.9 Ų124.950%0.557%0.566SS.*EExtended strand (participates in β ladder)trans-61.8130167.9-61.1-168-1.700110.4M476 V685M476-Q526 VanDerWaalsContact SD-O 3.38Å; Q526-V685 HydrophobicContact CB-CG1 3.66Å; Q526-V685 HydrophobicContact CG-CG1 3.54Å
527N51.8Low48Very low53 Ų53133.5 Ų133.528%0.28360%0.603SS.*EExtended strand (participates in β ladder)trans-120.4113.3172.6-77.6-97.8000110.3V525 R529 S686V525-N527 PolarHBondContact O-N 3.43Å; V525-N527 PolarHBondContact O-ND2 3.44Å; V525-N527 VanDerWaalsContact O-ND2 3.11Å; N527-R529 PolarHBondContact O-N 3.44Å; N527-S686 PolarHBondContact N-O 2.63Å; N527-S686 PolarHBondContact O-N 3.14Å; N527-S686 PolarHBondContact O-OG 3.47Å
528K51Low45.5Very low124 Ų124138.3 Ų138.354%0.53963%0.631SS.*EExtended strand (participates in β ladder)trans-62.4121.8169.4-70.6179.4176171.10110M476 E477 V683M476-K528 HydrophobicContact SD-CB 4.11Å; M476-K528 HydrophobicContact SD-CD 4.16Å; M476-K528 HydrophobicContact SD-CG 3.85Å; E477-K528 IonicContact OE1-NZ 3.81Å; E477-K528 PolarHBondContact OE1-NZ 2.91Å; K528-V683 HydrophobicContact CB-CG1 3.64Å; K528-V683 HydrophobicContact CG-CG1 3.77Å
529R38.3Very low43.1Very low186 Ų186136.8 Ų136.870%0.70264%0.636SS**  trans-126.9108.7-179.7-88.2-173.9164.3-171.5-0.7112.6N527 K531N527-R529 PolarHBondContact O-N 3.44Å; R529-K531 PolarHBondContact O-N 3.49Å
530K34.9Very low41.1Very low206 Ų206139.1 Ų139.190%0.89664%0.641SS**  trans-62.4125.3169.1-67.7-156.1175.8-158.80110.4
531K31.3Very low39.6Very low152 Ų152143.1 Ų143.166%0.66166%0.664SS**  trans-108.8106.4-168.6-172.6-179.6-172.9177.70110.9R529 R533R529-K531 PolarHBondContact O-N 3.49Å; K531-R533 PolarHBondContact O-N 3.33Å
532R31.6Very low38.4Very low252 Ų252144.3 Ų144.395%0.95167%0.667SS**  trans-58.2108.6170.1-91.6-175.4164.3178.3-5.4109.5K534R532-K534 PolarHBondContact O-N 3.07Å; R532-K534 VanDerWaalsContact O-N 3.15Å
533R29.9Very low37.2Very low244 Ų244146.1 Ų146.192%0.92168%0.682SS**  trans-60.6111-177.2-76.4-179.8170.2177.6-3.8110.8K531K531-R533 PolarHBondContact O-N 3.33Å
534K29.2Very low35.6Very low200 Ų200152.5 Ų152.587%0.8772%0.721SS**  trans-91.4120.7155.5-84.4-171.5174.1-177.20108.1R532 K536R532-K534 PolarHBondContact O-N 3.07Å; R532-K534 VanDerWaalsContact O-N 3.15Å; K534-K536 PolarHBondContact O-N 3.36Å
535K31Very low34.1Very low220 Ų220154.2 Ų154.296%0.95774%0.736SS**  trans-59.6122.9172-70.7-173.3175.2-1750109.4
536K28.1Very low32.5Very low206 Ų206157.2 Ų157.290%0.89677%0.768SS**  trans-120.6145.4164.4-150.1-177.3-177.1-167.60107K534K534-K536 PolarHBondContact O-N 3.36Å
537K27.4Very low31.4Very low200 Ų200159.3 Ų159.387%0.8778%0.782SS**  trans-65.5146-173.4-63.1-178.3176.4-174.90111
538V26Very low30.9Very low131 Ų131162.5 Ų162.579%0.79480%0.804SS**  trans-58.3141.4159.1179.90000108.2
539L26.9Very low30.5Very low152 Ų152159.3 Ų159.380%0.79680%0.795SS**  trans-135.6130163.5174.664.9000105.4Q541L539-Q541 PolarHBondContact O-N 3.47Å
540D26.6Very low30.9Very low142 Ų142154.1 Ų154.176%0.75979%0.788SS**  trans-69.3131.3-166.6-45-77.7000111.8
541Q27.4Very low31.6Very low192 Ų192147.3 Ų147.390%0.89777%0.766SS**  trans-126.9127159-70.9-167.4-53.400107.2L539L539-Q541 PolarHBondContact O-N 3.47Å
542A24Very low32.7Very low95 Ų95144.9 Ų144.979%0.78577%0.766SS**  trans-72.1135.1-167.700000111.9V544A542-V544 PolarHBondContact O-N 2.79Å
543T27.3Very low33.8Very low137 Ų137140.6 Ų140.684%0.8476%0.757SS**  trans-62.1109.6161.544.80000109.1S545T543-S545 VanDerWaalsContact C-N 3.34Å; T543-S545 PolarHBondContact O-N 3.11Å; T543-S545 VanDerWaalsContact O-N 3.08Å
544V26Very low35.2Very low141 Ų141133.4 Ų133.486%0.85573%0.733SS**  trans-73.395.9161.7178.20000106.6A542 G546A542-V544 PolarHBondContact O-N 2.79Å; V544-G546 PolarHBondContact O-N 3.06Å
545S29.6Very low36.5Very low96 Ų96125.9 Ų125.967%0.67170%0.702SS**  trans-64.5119.4171.3-168.10000108.6T543 N547T543-S545 VanDerWaalsContact C-N 3.34Å; T543-S545 PolarHBondContact O-N 3.11Å; T543-S545 VanDerWaalsContact O-N 3.08Å; S545-N547 PolarHBondContact O-N 2.76Å
546G28.1Very low37.9Very low66 Ų66121.5 Ų121.568%0.6869%0.685SS**  trans-70.6111.5169.300000108.8V544 V548V544-G546 PolarHBondContact O-N 3.06Å; G546-V548 PolarHBondContact O-N 3.22Å
547N32.3Very low39.6Very low151 Ų151115.4 Ų115.481%0.80767%0.673SS**PPolyproline II helixtrans-64.6135.4179.1-72.7-23.2000110.9S545 P549S545-N547 PolarHBondContact O-N 2.76Å; N547-P549 WeakPolarHBondContact O-CD 3.41Å
548V42.9Very low41.2Very low120 Ų120109.5 Ų109.573%0.72765%0.65SS**PPolyproline II helixtrans-87.8124.4162174.10000108.9G546G546-V548 PolarHBondContact O-N 3.22Å
549P41.3Very low43.6Very low57 Ų57104.6 Ų104.637%0.3762%0.617SS.*PPolyproline II helixtrans-85.5130.1147.41.318.9000108.1N547N547-P549 WeakPolarHBondContact O-CD 3.41Å
550S46.4Very low45.7Very low77 Ų77101 Ų10154%0.53860%0.603SS.*  84.1158.354.3-67.30000113.5E554S550-E554 WeakPolarHBondContact CB-OE2 3.46Å
551S50.4Low47.7Very low63 Ų6396.9 Ų96.944%0.44159%0.588SS.*  trans-53156.6-160.738.20000117E553 E554S551-E553 PolarHBondContact O-N 3.08Å; S551-E554 PolarHBondContact O-N 3.22Å
552P54.5Low49.6Very low101 Ų10188.2 Ų88.266%0.65655%0.548SS*.Hα-helixtrans-50.7-30.1-179.3-29.535.8000116E554 L555 E556P552-E554 PolarHBondContact O-N 2.85Å; P552-L555 PolarHBondContact O-N 3.16Å; P552-E556 PolarHBondContact O-N 2.82Å
553E54.3Low51.8Low162 Ų16284.8 Ų84.876%0.75752%0.519SS*.Hα-helixtrans-62.5-27.5177.6-58.9-175.3168.600113S551 A557S551-E553 PolarHBondContact O-N 3.08Å; E553-A557 PolarHBondContact O-N 3.13Å
554E58.7Low54Low92 Ų9285.3 Ų85.343%0.4351%0.512SS..Hα-helixtrans-78.7-34.7176.5-62-173.7-173.900111.8S550 S551 P552 A557 M558S550-E554 WeakPolarHBondContact CB-OE2 3.46Å; S551-E554 PolarHBondContact O-N 3.22Å; P552-E554 PolarHBondContact O-N 2.85Å; E554-A557 WeakPolarHBondContact O-CB 3.24Å; E554-A557 PolarHBondContact O-N 3.26Å; E554-M558 PolarHBondContact O-N 3.08Å; E554-M558 VanDerWaalsContact O-N 3.07Å
555L57.6Low56Low42 Ų4283 Ų8322%0.2249%0.492CS..Hα-helixtrans-67.6-39.5176.7-61.7176.9000111.7P552 A557 M558 W559 L607 L649P552-L555 PolarHBondContact O-N 3.16Å; L555-A557 VanDerWaalsContact C-N 3.26Å; L555-A557 PolarHBondContact O-N 3.03Å; L555-M558 PolarHBondContact O-N 3.34Å; L555-W559 PolarHBondContact O-N 2.69Å; L555-L607 HydrophobicContact CD2-CD2 3.57Å; L555-L649 HydrophobicContact CD2-CD1 4.49Å
556E59.7Low57.9Low129 Ų12978.4 Ų78.460%0.60346%0.46SS*.Hα-helixtrans-66.7-27.1173.2-68.3-136.311200112.9P552 P560 K646P552-E556 PolarHBondContact O-N 2.82Å; E556-P560 WeakPolarHBondContact O-CD 3.26Å; E556-K646 IonicContact OE1-NZ 3.7Å; E556-K646 PolarHBondContact OE1-NZ 2.82Å; E556-K646 VanDerWaalsContact OE1-NZ 3.12Å
557A64.5Low60Low77 Ų7779.5 Ų79.564%0.63645%0.448SS*.Hα-helixtrans-76.6-30.4174.600000113.3E553 E554 L555E553-A557 PolarHBondContact O-N 3.13Å; E554-A557 WeakPolarHBondContact O-CB 3.24Å; E554-A557 PolarHBondContact O-N 3.26Å; L555-A557 VanDerWaalsContact C-N 3.26Å; L555-A557 PolarHBondContact O-N 3.03Å
558M60.3Low61.8Low77 Ų7779.1 Ų79.138%0.37944%0.436SS..Hα-helixtrans-79.8-31.2175.7-71.5179.563.100113.2E554 L555 P560 A561 L562E554-M558 PolarHBondContact O-N 3.08Å; E554-M558 VanDerWaalsContact O-N 3.07Å; L555-M558 PolarHBondContact O-N 3.34Å; M558-P560 VanDerWaalsContact C-CD 3.46Å; M558-A561 PolarHBondContact O-N 3.03Å; M558-L562 PolarHBondContact O-N 2.92Å
559W76Confident62.9Low28 Ų2875 Ų7511%0.10641%0.412CS..Hα-helixtrans-53.8-41.3-173.7-174.2-105.8000115.9L555 A561 L562 A563 L566 I642 L645 K646 L649L555-W559 PolarHBondContact O-N 2.69Å; W559-A561 PolarHBondContact O-N 2.75Å; W559-L562 HydrophobicContact CE3-CB 4.49Å; W559-L562 PolarHBondContact O-N 2.99Å; W559-A563 WeakPolarHBondContact O-CB 3.43Å; W559-A563 PolarHBondContact O-N 3.18Å; W559-L566 HydrophobicContact CH2-CD1 3.91Å; W559-L566 HydrophobicContact CZ3-CD1 4.38Å; W559-I642 HydrophobicContact CH2-CG2 4.4Å; W559-I642 WeakPolarHBondContact CH2-O 3.36Å; W559-I642 HydrophobicContact CZ2-CG2 3.72Å; W559-I642 WeakPolarHBondContact CZ2-O 3.06Å; W559-L645 HydrophobicContact CH2-CB 4.1Å; W559-K646 HydrophobicContact CD2-CB 4.4Å; W559-K646 HydrophobicContact CD2-CD 4.32Å; W559-K646 HydrophobicContact CD2-CG 3.88Å; W559-K646 HydrophobicContact CE3-CG 4.28Å; W559-K646 HydrophobicContact CG-CD 4.37Å; W559-K646 HydrophobicContact CG-CG 4.37Å; W559-K646 HydrophobicContact CH2-CB 3.76Å; W559-K646 HydrophobicContact CH2-CG 4.29Å; W559-K646 HydrophobicContact CZ2-CB 3.5Å; W559-K646 VanDerWaalsContact CZ2-CB 3.5Å; W559-K646 HydrophobicContact CZ2-CD 4.48Å; W559-K646 HydrophobicContact CZ2-CG 3.89Å; W559-K646 HydrophobicContact CZ3-CB 4.31Å; W559-K646 HydrophobicContact CZ3-CG 4.46Å; W559-L649 HydrophobicContact CE3-CD2 3.58Å; W559-L649 HydrophobicContact CZ3-CD2 3.95Å
560P72.4Confident63.9Low76 Ų7673.3 Ų73.349%0.49440%0.403SS..Hα-helixtrans-60.6-40.3-177.9-25.235.5000113.7E556 M558 A563 E564E556-P560 WeakPolarHBondContact O-CD 3.26Å; M558-P560 VanDerWaalsContact C-CD 3.46Å; P560-A563 PolarHBondContact O-N 2.81Å; P560-E564 PolarHBondContact O-N 2.94Å; P560-E564 VanDerWaalsContact O-N 3.12Å
561A68.4Low64.6Low55 Ų5576.1 Ų76.146%0.45541%0.407SS..Hα-helixtrans-70.6-34.9178.700000112.1M558 W559 Q565M558-A561 PolarHBondContact O-N 3.03Å; W559-A561 PolarHBondContact O-N 2.75Å; A561-Q565 WeakPolarHBondContact O-CG 3.46Å; A561-Q565 PolarHBondContact O-N 3.13Å
562L67.8Low65Low11 Ų1176.3 Ų76.36%0.05840%0.403CS..Hα-helixtrans-69.7-39.1173.2-64.5173.1000111.4M558 W559 Q565 L566M558-L562 PolarHBondContact O-N 2.92Å; W559-L562 HydrophobicContact CE3-CB 4.49Å; W559-L562 PolarHBondContact O-N 2.99Å; L562-Q565 PolarHBondContact O-N 3.37Å; L562-L566 WeakPolarHBondContact O-CB 3.42Å; L562-L566 VanDerWaalsContact O-CG 3.25Å; L562-L566 WeakPolarHBondContact O-CG 3.37Å; L562-L566 PolarHBondContact O-N 2.97Å
563A69.8Low65Low22 Ų2276.2 Ų76.218%0.18240%0.403CS..Hα-helixtrans-63.4-43.2178.100000112.2W559 P560 Q565 L566 Q567W559-A563 WeakPolarHBondContact O-CB 3.43Å; W559-A563 PolarHBondContact O-N 3.18Å; P560-A563 PolarHBondContact O-N 2.81Å; A563-Q565 VanDerWaalsContact C-N 3.33Å; A563-Q565 PolarHBondContact O-N 2.86Å; A563-L566 PolarHBondContact O-N 3.32Å; A563-Q567 VanDerWaalsContact O-CB 3.24Å; A563-Q567 WeakPolarHBondContact O-CB 3.41Å; A563-Q567 PolarHBondContact O-N 2.95Å
564E73.4Confident64.7Low149 Ų14977.9 Ų77.970%0.69641%0.41SS*.Hα-helixtrans-60.6-40.9173.6-72.6-173.716900112P560 Y568P560-E564 PolarHBondContact O-N 2.94Å; P560-E564 VanDerWaalsContact O-N 3.12Å; E564-Y568 WeakPolarHBondContact O-CB 3.38Å; E564-Y568 PolarHBondContact O-N 2.85Å
565Q67.9Low64.3Low92 Ų9279.4 Ų79.443%0.4342%0.421SS..Hα-helixtrans-68.1-45.2177-69.8175.310.300112.4A561 L562 A563 Q567 Y568 C569 A611A561-Q565 WeakPolarHBondContact O-CG 3.46Å; A561-Q565 PolarHBondContact O-N 3.13Å; L562-Q565 PolarHBondContact O-N 3.37Å; A563-Q565 VanDerWaalsContact C-N 3.33Å; A563-Q565 PolarHBondContact O-N 2.86Å; Q565-Q567 VanDerWaalsContact C-N 3.34Å; Q565-Y568 PolarHBondContact O-N 3.04Å; Q565-C569 PolarHBondContact O-N 3.34Å; Q565-C569 PolarHBondContact O-SG 3.44Å; Q565-A611 HydrophobicContact CB-CB 3.93Å
566L69.6Low63.8Low0 Ų081 Ų810%044%0.436CS..Hα-helixtrans-61.8-42.3176.3-71.8168.7000111.1W559 L562 A563 C569 A570 L606 A611 L615 I642 L645W559-L566 HydrophobicContact CH2-CD1 3.91Å; W559-L566 HydrophobicContact CZ3-CD1 4.38Å; L562-L566 WeakPolarHBondContact O-CB 3.42Å; L562-L566 VanDerWaalsContact O-CG 3.25Å; L562-L566 WeakPolarHBondContact O-CG 3.37Å; L562-L566 PolarHBondContact O-N 2.97Å; A563-L566 PolarHBondContact O-N 3.32Å; L566-C569 PolarHBondContact O-N 3.16Å; L566-A570 WeakPolarHBondContact O-CB 3.42Å; L566-A570 PolarHBondContact O-N 3.01Å; L566-L606 HydrophobicContact CD1-CD2 4.49Å; L566-A611 HydrophobicContact CD2-CB 3.86Å; L566-A611 VanDerWaalsContact CD2-O 3.29Å; L566-A611 WeakPolarHBondContact CD2-O 3.4Å; L566-A611 HydrophobicContact CG-CB 4Å; L566-L615 HydrophobicContact CD2-CB 4.06Å; L566-L615 HydrophobicContact CD2-CD1 3.96Å; L566-I642 HydrophobicContact CB-CD1 4.22Å; L566-I642 HydrophobicContact CB-CG1 4.03Å; L566-L645 HydrophobicContact CD1-CD1 4.03Å; L566-L645 HydrophobicContact CD2-CD1 3.82Å
567Q71.4Confident63.2Low89 Ų8981.8 Ų81.842%0.41644%0.443SS..Hα-helixtrans-68.6-35.2178.7-161.617139.400112.1A563 Q565 Q571 I642A563-Q567 VanDerWaalsContact O-CB 3.24Å; A563-Q567 WeakPolarHBondContact O-CB 3.41Å; A563-Q567 PolarHBondContact O-N 2.95Å; Q565-Q567 VanDerWaalsContact C-N 3.34Å; Q567-Q571 VanDerWaalsContact O-CG 3.29Å; Q567-Q571 WeakPolarHBondContact O-CG 3.37Å; Q567-Q571 PolarHBondContact O-N 3.13Å; Q567-I642 HydrophobicContact CB-CD1 3.93Å; Q567-I642 HydrophobicContact CG-CD1 4.31Å
568Y71.4Confident62.2Low143 Ų14384.5 Ų84.556%0.56145%0.447SS*.Hα-helixtrans-65.7-40.9170.3-179.1-101.1000112.4E564 Q565 Q571 N572 L575E564-Y568 WeakPolarHBondContact O-CB 3.38Å; E564-Y568 PolarHBondContact O-N 2.85Å; Q565-Y568 PolarHBondContact O-N 3.04Å; Y568-Q571 PolarHBondContact O-N 3.33Å; Y568-N572 PolarHBondContact O-N 2.91Å; Y568-N572 PolarHBondContact O-ND2 3.1Å; Y568-L575 HydrophobicContact CE1-CD1 4.49Å
569C64.3Low61.5Low33 Ų3386.4 Ų86.422%0.22347%0.467CS..Hα-helixtrans-68.8-41.9177.2-64.60000112.1Q565 L566 Q571 N572Q565-C569 PolarHBondContact O-N 3.34Å; Q565-C569 PolarHBondContact O-SG 3.44Å; L566-C569 PolarHBondContact O-N 3.16Å; C569-Q571 PolarHBondContact O-N 3.07Å; C569-N572 CarbonylContact O-C 3.55Å; C569-N572 PolarHBondContact O-N 3.45Å
570A62.6Low60.6Low21 Ų2189.9 Ų89.917%0.17449%0.486CS..Hα-helixtrans-60.3-27.2177.100000113L566 P638L566-A570 WeakPolarHBondContact O-CB 3.42Å; L566-A570 PolarHBondContact O-N 3.01Å; A570-P638 HydrophobicContact CB-CB 4.13Å
571Q62.4Low60Low136 Ų13691.4 Ų91.464%0.63649%0.493SS*.THydrogen-bonded Turntrans-84.8-12.2176.3-69.517321.100114.2Q567 Y568 C569Q567-Q571 VanDerWaalsContact O-CG 3.29Å; Q567-Q571 WeakPolarHBondContact O-CG 3.37Å; Q567-Q571 PolarHBondContact O-N 3.13Å; Y568-Q571 PolarHBondContact O-N 3.33Å; C569-Q571 PolarHBondContact O-N 3.07Å
572N58Low59.5Low67 Ų6789.2 Ų89.236%0.35848%0.475SS..  trans-132.380.1-172.6-66.3-83.6000112.3Y568 C569 E574Y568-N572 PolarHBondContact O-N 2.91Å; Y568-N572 PolarHBondContact O-ND2 3.1Å; C569-N572 CarbonylContact O-C 3.55Å; C569-N572 PolarHBondContact O-N 3.45Å; N572-E574 VanDerWaalsContact C-N 3.27Å; N572-E574 PolarHBondContact O-N 3.17Å
573P54.1Low59.3Low99 Ų9991.8 Ų91.864%0.64349%0.485SS*.G310 helixtrans-62-25.6-174.9-25.135.5000115.8L575 S576P573-L575 PolarHBondContact O-N 3.28Å; P573-S576 PolarHBondContact O-N 3.39Å
574E48.8Very low59.3Low197 Ų19795.1 Ų95.192%0.92150%0.5SS*.G310 helixtrans-77.63.4-172.3-60.8-168.8162.200115N572N572-E574 VanDerWaalsContact C-N 3.27Å; N572-E574 PolarHBondContact O-N 3.17Å
575L50.2Low58.4Low124 Ų12492.3 Ų92.365%0.64950%0.502SS*.G310 helixtrans-95.93.9173.8-72.5172.8000114Y568 P573 I577Y568-L575 HydrophobicContact CE1-CD1 4.49Å; P573-L575 PolarHBondContact O-N 3.28Å; L575-I577 PolarHBondContact O-N 2.99Å
576S45.7Very low57.4Low77 Ų7792 Ų9254%0.53852%0.516SS..  trans-72.3120.8176.2-1670000111.5P573 T616P573-S576 PolarHBondContact O-N 3.39Å; S576-T616 WeakPolarHBondContact OG-CG2 3.17Å
577I47.5Very low56.7Low145 Ų14594.4 Ų94.474%0.74453%0.532SS*.  trans-126.2137.3176.4-64179.4000109L575L575-I577 PolarHBondContact O-N 2.99Å
578D45Very low55.4Low134 Ų13499.6 Ų99.672%0.71756%0.557SS**  trans59.4119.7-172.3-75.9-23.9000116.4M580D578-M580 VanDerWaalsContact C-N 3.32Å; D578-M580 PolarHBondContact O-N 3.28Å
579S45.4Very low55.1Low116 Ų11695.7 Ų95.781%0.81155%0.548SS*.  trans-74.583.8165.657.40000109.6V581S579-V581 PolarHBondContact O-N 2.85Å
580M56.4Low55.4Low102 Ų10297.1 Ų97.150%0.50256%0.556SS.*  trans-61.9123.4166.3-79.1-171.3164.900109.6D578 L617 S620D578-M580 VanDerWaalsContact C-N 3.32Å; D578-M580 PolarHBondContact O-N 3.28Å; M580-L617 HydrophobicContact CB-CD2 3.74Å; M580-L617 HydrophobicContact SD-CD1 4.47Å; M580-L617 HydrophobicContact SD-CD2 4.18Å; M580-L617 HydrophobicContact SD-CG 4.47Å; M580-S620 PolarHBondContact O-OG 2.81Å
581V59.2Low55.8Low107 Ų10799.1 Ų99.165%0.64857%0.567SS**  trans-82122.3175-161.40000107.8S579 F583S579-V581 PolarHBondContact O-N 2.85Å; V581-F583 VanDerWaalsContact C-N 3.29Å; V581-F583 VanDerWaalsContact CG1-O 3.22Å; V581-F583 WeakPolarHBondContact CG1-O 3.35Å
582P59Low56.2Low10 Ų1099.4 Ų99.47%0.06557%0.568CS.*SBendtrans-81.6-11.2-176.535.2-37.9000112.9A621 V624 W625P582-A621 HydrophobicContact CB-CB 4.3Å; P582-A621 HydrophobicContact CG-CB 4.44Å; P582-V624 HydrophobicContact CG-CB 4.4Å; P582-V624 HydrophobicContact CG-CG2 3.99Å; P582-W625 HydrophobicContact CB-CH2 4.26Å; P582-W625 HydrophobicContact CB-CZ3 3.94Å; P582-W625 HydrophobicContact CG-CZ3 4.18Å; P582-W625 WeakPolarHBondContact O-CH2 3.46Å
583F62.7Low56.8Low64 Ų64100.9 Ų100.928%0.28157%0.573SS.*  trans-127.9134.7-172.2167.9-112000109.4V581 A585 V591 V624 W625V581-F583 VanDerWaalsContact C-N 3.29Å; V581-F583 VanDerWaalsContact CG1-O 3.22Å; V581-F583 WeakPolarHBondContact CG1-O 3.35Å; F583-A585 HydrophobicContact CD1-CB 4.48Å; F583-A585 HydrophobicContact CE1-CB 3.77Å; F583-A585 HydrophobicContact CZ-CB 4.24Å; F583-V591 HydrophobicContact CE2-CG1 4.48Å; F583-V591 HydrophobicContact CE2-CG2 4.39Å; F583-V624 HydrophobicContact CB-CG1 3.78Å; F583-V624 HydrophobicContact CD1-CG1 4.12Å; F583-V624 HydrophobicContact CG-CG1 4.02Å; F583-W625 HydrophobicContact CB-CH2 4.11Å; F583-W625 HydrophobicContact CB-CZ2 3.87Å; F583-W625 AromaticContact CD2-CZ2 3.99Å; F583-W625 HydrophobicContact CD2-CZ2 3.99Å; F583-W625 HydrophobicContact CG-CZ2 4.32Å
584D69.1Low57.8Low92 Ų9296.8 Ų96.849%0.49255%0.545SS..  trans-112.1104.3175.4-168.7-10.3000110.6A586 S587 Q594D584-A586 PolarHBondContact O-N 3.14Å; D584-A586 VanDerWaalsContact O-N 3.16Å; D584-A586 WeakPolarHBondContact OD1-CB 3.42Å; D584-A586 PolarHBondContact OD1-N 3.42Å; D584-S587 WeakPolarHBondContact O-CB 3.14Å; D584-S587 PolarHBondContact O-N 2.9Å; D584-S587 VanDerWaalsContact O-N 3.08Å; D584-Q594 PolarHBondContact O-NE2 2.95Å; D584-Q594 PolarHBondContact O-OE1 2.96Å
585A55.6Low59Low90 Ų9089.8 Ų89.874%0.74451%0.51SS*.THydrogen-bonded Turntrans-68.9-3.5176.900000114.1F583F583-A585 HydrophobicContact CD1-CB 4.48Å; F583-A585 HydrophobicContact CE1-CB 3.77Å; F583-A585 HydrophobicContact CZ-CB 4.24Å
586A47.4Very low60.1Low86 Ų8685.9 Ų85.971%0.71150%0.496SS*.THydrogen-bonded Turntrans-106.8-2.2171.800000113.4D584D584-A586 PolarHBondContact O-N 3.14Å; D584-A586 VanDerWaalsContact O-N 3.16Å; D584-A586 WeakPolarHBondContact OD1-CB 3.42Å; D584-A586 PolarHBondContact OD1-N 3.42Å
587S54.6Low61.4Low50 Ų5086.4 Ų86.435%0.3549%0.49SS..  trans-79.5147.4172.2-177.30000111.3D584 V589D584-S587 WeakPolarHBondContact O-CB 3.14Å; D584-S587 PolarHBondContact O-N 2.9Å; D584-S587 VanDerWaalsContact O-N 3.08Å; S587-V589 VanDerWaalsContact C-N 3.33Å; S587-V589 PolarHBondContact OG-N 3.29Å
588E44.3Very low62.9Low199 Ų19979.8 Ų79.893%0.9346%0.457SS*.  trans-86.7-6.9179-56.2-170148.700112.6
589V64.5Low64.3Low61 Ų6175 Ų7537%0.3743%0.43SS..SBendtrans-71.2134.5-179.3177.30000111.5S587 E593 Q594S587-V589 VanDerWaalsContact C-N 3.33Å; S587-V589 PolarHBondContact OG-N 3.29Å; V589-E593 HydrophobicContact CG1-CB 3.53Å; V589-Q594 HydrophobicContact CB-CG 4.06Å; V589-Q594 HydrophobicContact CG1-CG 3.91Å; V589-Q594 PolarHBondContact O-NE2 3.45Å
590P71.1Confident65.9Low62 Ų6270.6 Ų70.640%0.40340%0.398SS..  trans-51.5150176-28.235.2000114.4E592 E593 Q594P590-E592 PolarHBondContact O-N 3.12Å; P590-E593 HydrophobicContact CB-CB 4.42Å; P590-E593 HydrophobicContact CB-CG 4.41Å; P590-E593 PolarHBondContact O-N 3.26Å; P590-Q594 WeakPolarHBondContact O-CG 3.42Å; P590-Q594 PolarHBondContact O-N 3.25Å
591V70.9Confident66.8Low64 Ų6471.1 Ų71.139%0.38840%0.395SS..Hα-helixtrans-63.1-33.9-175.9-173.40000111.3F583 R595 W625F583-V591 HydrophobicContact CE2-CG1 4.48Å; F583-V591 HydrophobicContact CE2-CG2 4.39Å; V591-R595 VanDerWaalsContact O-CB 3.3Å; V591-R595 WeakPolarHBondContact O-CB 3.48Å; V591-R595 PolarHBondContact O-N 2.96Å; V591-W625 VanDerWaalsContact CG1-NE1 3.29Å
592E69.9Low67.8Low142 Ų14266.1 Ų66.166%0.66436%0.364SS*.Hα-helixtrans-66.2-35.8176.4-65.665.3-146.300112.3P590 R595 A596P590-E592 PolarHBondContact O-N 3.12Å; E592-R595 WeakPolarHBondContact O-CB 3.18Å; E592-A596 PolarHBondContact O-N 3.49Å; E592-A596 VanDerWaalsContact O-N 3.16Å
593E72.3Confident68.6Low98 Ų9866.4 Ų66.446%0.45837%0.365SS..Hα-helixtrans-79.5-40.2176.9-72.3178.4-166.200111.2V589 P590 R595 A596 E597V589-E593 HydrophobicContact CG1-CB 3.53Å; P590-E593 HydrophobicContact CB-CB 4.42Å; P590-E593 HydrophobicContact CB-CG 4.41Å; P590-E593 PolarHBondContact O-N 3.26Å; E593-R595 PolarHBondContact O-N 3.42Å; E593-A596 WeakPolarHBondContact O-CB 3.12Å; E593-A596 PolarHBondContact O-N 3Å; E593-E597 PolarHBondContact O-N 3.15Å
594Q73.5Confident69.3Low13 Ų1366.6 Ų66.66%0.06137%0.369CS..Hα-helixtrans-59.5-36.1169.5-64.8-166.640.300111.7D584 V589 P590 E597 A598 W625D584-Q594 PolarHBondContact O-NE2 2.95Å; D584-Q594 PolarHBondContact O-OE1 2.96Å; V589-Q594 HydrophobicContact CB-CG 4.06Å; V589-Q594 HydrophobicContact CG1-CG 3.91Å; V589-Q594 PolarHBondContact O-NE2 3.45Å; P590-Q594 WeakPolarHBondContact O-CG 3.42Å; P590-Q594 PolarHBondContact O-N 3.25Å; Q594-E597 PolarHBondContact O-N 2.9Å; Q594-A598 WeakPolarHBondContact O-CB 3.31Å; Q594-A598 PolarHBondContact O-N 3.03Å; Q594-W625 HydrophobicContact CB-CZ2 4.27Å
595R74.5Confident69.7Low49 Ų4963.2 Ų63.219%0.18535%0.352CS..Hα-helixtrans-63.9-38.9173.3-170.2-173.9-167.3146.613.9112.1V591 E592 E593 M599 W625 E627 F631V591-R595 VanDerWaalsContact O-CB 3.3Å; V591-R595 WeakPolarHBondContact O-CB 3.48Å; V591-R595 PolarHBondContact O-N 2.96Å; E592-R595 WeakPolarHBondContact O-CB 3.18Å; E593-R595 PolarHBondContact O-N 3.42Å; R595-M599 PolarHBondContact O-N 2.86Å; R595-W625 HydrophobicContact CB-CZ2 4.46Å; R595-W625 HydrophobicContact CG-CD2 4.48Å; R595-E627 PolarHBondContact NH1-O 3.11Å; R595-E627 PolarHBondContact NH2-O 3.13Å; R595-F631 HydrophobicContact CG-CE2 3.87Å; R595-F631 HydrophobicContact CG-CZ 4.18Å
596A73.9Confident70.6Confident43 Ų4358.9 Ų58.936%0.35532%0.317SS..Hα-helixtrans-69.5-43.9174.700000111.8E592 E593 A598 M599 V600E592-A596 PolarHBondContact O-N 3.49Å; E592-A596 VanDerWaalsContact O-N 3.16Å; E593-A596 WeakPolarHBondContact O-CB 3.12Å; E593-A596 PolarHBondContact O-N 3Å; A596-A598 VanDerWaalsContact C-N 3.31Å; A596-A598 PolarHBondContact O-N 3.29Å; A596-M599 WeakPolarHBondContact O-CB 3.33Å; A596-M599 PolarHBondContact O-N 2.8Å; A596-M599 VanDerWaalsContact O-N 3.11Å; A596-V600 PolarHBondContact O-N 3.17Å
597E73.6Confident71.9Confident88 Ų8857.3 Ų57.341%0.41130%0.296SS..Hα-helixtrans-62.4-38.9176.7-151.1-148.714900111.5E593 Q594 M599 V600 R601E593-E597 PolarHBondContact O-N 3.15Å; Q594-E597 PolarHBondContact O-N 2.9Å; E597-M599 VanDerWaalsContact C-N 3.31Å; E597-M599 PolarHBondContact O-N 2.86Å; E597-V600 PolarHBondContact O-N 2.79Å; E597-V600 VanDerWaalsContact O-N 3.15Å; E597-R601 VanDerWaalsContact CD-NE 3.34Å; E597-R601 WeakPolarHBondContact O-CG 3.26Å; E597-R601 PolarHBondContact O-N 3.13Å; E597-R601 IonicContact OE1-CZ 3.19Å; E597-R601 IonicContact OE1-NE 3.98Å; E597-R601 PolarHBondContact OE1-NE 3.21Å; E597-R601 IonicContact OE1-NH2 2.71Å; E597-R601 PolarHBondContact OE1-NH2 2.96Å; E597-R601 IonicContact OE2-CZ 3.3Å; E597-R601 IonicContact OE2-NE 2.76Å; E597-R601 IonicContact OE2-NH2 3.53Å; E597-R601 PolarHBondContact OE2-NH2 2.94Å
598A77.8Confident72.9Confident6 Ų658 Ų585%0.0531%0.305CS..Hα-helixtrans-60-38.2173.400000112.6Q594 A596 I602 W625Q594-A598 WeakPolarHBondContact O-CB 3.31Å; Q594-A598 PolarHBondContact O-N 3.03Å; A596-A598 VanDerWaalsContact C-N 3.31Å; A596-A598 PolarHBondContact O-N 3.29Å; A598-I602 WeakPolarHBondContact O-CD1 3.42Å; A598-I602 VanDerWaalsContact O-CG1 3.26Å; A598-I602 WeakPolarHBondContact O-CG1 3.42Å; A598-I602 PolarHBondContact O-N 3.12Å; A598-W625 HydrophobicContact CB-CH2 3.82Å; A598-W625 HydrophobicContact CB-CZ3 3.7Å
599M75.2Confident74.1Confident33 Ų3350.1 Ų50.116%0.16328%0.277CS..Hα-helixtrans-66.5-40173-71.6-173.9-71.700112.4R595 A596 E597 I602 Q603 V630 F631 L653R595-M599 PolarHBondContact O-N 2.86Å; A596-M599 WeakPolarHBondContact O-CB 3.33Å; A596-M599 PolarHBondContact O-N 2.8Å; A596-M599 VanDerWaalsContact O-N 3.11Å; E597-M599 VanDerWaalsContact C-N 3.31Å; E597-M599 PolarHBondContact O-N 2.86Å; M599-I602 PolarHBondContact O-N 3.15Å; M599-Q603 PolarHBondContact O-N 2.68Å; M599-V630 HydrophobicContact CE-CG1 4.33Å; M599-V630 HydrophobicContact SD-CG1 3.58Å; M599-V630 VanDerWaalsContact SD-CG1 3.58Å; M599-F631 HydrophobicContact CG-CE1 3.57Å; M599-F631 HydrophobicContact CG-CZ 3.78Å; M599-F631 HydrophobicContact SD-CE1 4.44Å; M599-L653 HydrophobicContact CB-CD1 3.74Å
600V77.8Confident74.7Confident23 Ų2351.4 Ų51.414%0.13928%0.279CS..Hα-helixtrans-64.4-45.7175.2175.60000110.9A596 E597 I602 Q603 D604 L653 R655A596-V600 PolarHBondContact O-N 3.17Å; E597-V600 PolarHBondContact O-N 2.79Å; E597-V600 VanDerWaalsContact O-N 3.15Å; V600-I602 VanDerWaalsContact C-N 3.3Å; V600-I602 PolarHBondContact O-N 2.9Å; V600-Q603 WeakPolarHBondContact O-CB 3.42Å; V600-Q603 PolarHBondContact O-N 3.09Å; V600-Q603 VanDerWaalsContact O-N 3.09Å; V600-D604 PolarHBondContact O-N 2.93Å; V600-L653 HydrophobicContact CG2-CB 4.04Å; V600-L653 HydrophobicContact CG2-CD1 4.05Å; V600-R655 HydrophobicContact CG1-CG 4.06Å
601R76.2Confident74.7Confident113 Ų11348.4 Ų48.443%0.42626%0.26SS..Hα-helixtrans-58.6-39.5175.1-69.1173.8-176.4-177.25.4112E597 C605E597-R601 VanDerWaalsContact CD-NE 3.34Å; E597-R601 WeakPolarHBondContact O-CG 3.26Å; E597-R601 PolarHBondContact O-N 3.13Å; E597-R601 IonicContact OE1-CZ 3.19Å; E597-R601 IonicContact OE1-NE 3.98Å; E597-R601 PolarHBondContact OE1-NE 3.21Å; E597-R601 IonicContact OE1-NH2 2.71Å; E597-R601 PolarHBondContact OE1-NH2 2.96Å; E597-R601 IonicContact OE2-CZ 3.3Å; E597-R601 IonicContact OE2-NE 2.76Å; E597-R601 IonicContact OE2-NH2 3.53Å; E597-R601 PolarHBondContact OE2-NH2 2.94Å; R601-C605 PolarHBondContact O-N 2.88Å; R601-C605 PolarHBondContact O-SG 2.64Å
602I79.2Confident74.8Confident2 Ų248.4 Ų48.41%0.0126%0.261CS..Hα-helixtrans-65-44.5173.4-70.8164.5000111.1A598 M599 V600 D604 C605 L606 A614 L617 L618 F631 L645 I648A598-I602 WeakPolarHBondContact O-CD1 3.42Å; A598-I602 VanDerWaalsContact O-CG1 3.26Å; A598-I602 WeakPolarHBondContact O-CG1 3.42Å; A598-I602 PolarHBondContact O-N 3.12Å; M599-I602 PolarHBondContact O-N 3.15Å; V600-I602 VanDerWaalsContact C-N 3.3Å; V600-I602 PolarHBondContact O-N 2.9Å; I602-D604 PolarHBondContact O-N 3.13Å; I602-C605 PolarHBondContact O-N 2.95Å; I602-L606 HydrophobicContact CG2-CD1 4.32Å; I602-L606 WeakPolarHBondContact O-CG 3.05Å; I602-L606 PolarHBondContact O-N 3.38Å; I602-A614 HydrophobicContact CG2-CB 4.41Å; I602-L617 HydrophobicContact CD1-CB 4.33Å; I602-L617 HydrophobicContact CG1-CB 3.8Å; I602-L618 HydrophobicContact CD1-CB 4.37Å; I602-L618 HydrophobicContact CD1-CD1 4.32Å; I602-F631 HydrophobicContact CD1-CE1 4.24Å; I602-L645 HydrophobicContact CG2-CD2 3.81Å; I602-I648 HydrophobicContact CG2-CD1 4.45Å; I602-I648 HydrophobicContact CG2-CG2 4.07Å
603Q77.3Confident74.9Confident17 Ų1745.3 Ų45.38%0.07925%0.246CC..Hα-helixtrans-61.4-43176.7-170.5175.24700111.6M599 V600 L606 L607 I648 L649 A651 L653M599-Q603 PolarHBondContact O-N 2.68Å; V600-Q603 WeakPolarHBondContact O-CB 3.42Å; V600-Q603 PolarHBondContact O-N 3.09Å; V600-Q603 VanDerWaalsContact O-N 3.09Å; Q603-L606 PolarHBondContact O-N 3.12Å; Q603-L607 HydrophobicContact CG-CD1 4.23Å; Q603-L607 WeakPolarHBondContact O-CG 3.5Å; Q603-L607 PolarHBondContact O-N 2.98Å; Q603-I648 HydrophobicContact CB-CG2 4.41Å; Q603-I648 PolarHBondContact NE2-O 3.08Å; Q603-L649 HydrophobicContact CG-CD1 4.48Å; Q603-L649 PolarHBondContact NE2-O 3.01Å; Q603-L649 VanDerWaalsContact NE2-O 3.1Å; Q603-A651 PolarHBondContact NE2-O 3.34Å; Q603-L653 HydrophobicContact CB-CD1 4.49Å
604D77.5Confident75.1Confident67 Ų6740.6 Ų40.636%0.35822%0.224SC..Hα-helixtrans-67.6-39.3178.6-70.3-18.5000112.1V600 I602 L606 L607 A608 R655V600-D604 PolarHBondContact O-N 2.93Å; I602-D604 PolarHBondContact O-N 3.13Å; D604-L606 VanDerWaalsContact C-N 3.33Å; D604-L606 PolarHBondContact O-N 3.25Å; D604-L607 PolarHBondContact O-N 3.04Å; D604-A608 VanDerWaalsContact O-CB 3.28Å; D604-A608 WeakPolarHBondContact O-CB 3.45Å; D604-A608 PolarHBondContact O-N 3.24Å; D604-R655 IonicContact OD1-CZ 3.02Å; D604-R655 IonicContact OD1-NE 3.68Å; D604-R655 PolarHBondContact OD1-NE 2.92Å; D604-R655 IonicContact OD1-NH2 2.78Å; D604-R655 PolarHBondContact OD1-NH2 2.78Å
605C77.4Confident75.3Confident21 Ų2140.4 Ų40.414%0.14222%0.224CC..Hα-helixtrans-61.9-37.7170.7-77.30000112.6R601 I602 G609 Q610 A614R601-C605 PolarHBondContact O-N 2.88Å; R601-C605 PolarHBondContact O-SG 2.64Å; I602-C605 PolarHBondContact O-N 2.95Å; C605-G609 PolarHBondContact O-N 3.44Å; C605-Q610 HydrophobicContact CB-CB 4.41Å; C605-Q610 WeakPolarHBondContact O-CA 3.29Å; C605-Q610 WeakPolarHBondContact O-CB 3.31Å; C605-Q610 PolarHBondContact O-N 3.01Å; C605-A614 HydrophobicContact CB-CB 3.95Å
606L74.6Confident75.3Confident0 Ų039.8 Ų39.80%023%0.226CC..Hα-helixtrans-67.2-43.5175-69.5170.7000111.6L566 I602 Q603 D604 A608 G609 A614 L645 L649L566-L606 HydrophobicContact CD1-CD2 4.49Å; I602-L606 HydrophobicContact CG2-CD1 4.32Å; I602-L606 WeakPolarHBondContact O-CG 3.05Å; I602-L606 PolarHBondContact O-N 3.38Å; Q603-L606 PolarHBondContact O-N 3.12Å; D604-L606 VanDerWaalsContact C-N 3.33Å; D604-L606 PolarHBondContact O-N 3.25Å; L606-A608 VanDerWaalsContact C-N 3.33Å; L606-A608 PolarHBondContact O-N 2.89Å; L606-G609 PolarHBondContact O-N 3.42Å; L606-G609 VanDerWaalsContact O-N 3.09Å; L606-A614 HydrophobicContact CD2-CB 3.63Å; L606-A614 HydrophobicContact CG-CB 3.75Å; L606-L645 HydrophobicContact CD1-CB 4.33Å; L606-L645 HydrophobicContact CD1-CD2 4.17Å; L606-L649 HydrophobicContact CB-CD1 4.08Å; L606-L649 HydrophobicContact CD1-CB 4.14Å
607L74.5Confident75.5Confident52 Ų5238.6 Ų38.627%0.27221%0.213SC..Hα-helixtrans-64.5-35.4176.2-69.4169.3000112.4L555 Q603 D604 G609 L649 R655L555-L607 HydrophobicContact CD2-CD2 3.57Å; Q603-L607 HydrophobicContact CG-CD1 4.23Å; Q603-L607 WeakPolarHBondContact O-CG 3.5Å; Q603-L607 PolarHBondContact O-N 2.98Å; D604-L607 PolarHBondContact O-N 3.04Å; L607-G609 PolarHBondContact O-N 3.13Å; L607-L649 HydrophobicContact CD2-CD1 3.92Å; L607-L649 HydrophobicContact CG-CD1 4.11Å; L607-R655 VanDerWaalsContact CD1-NH2 3.27Å
608A76Confident75.8Confident66 Ų6634.4 Ų34.455%0.54519%0.193SC..THydrogen-bonded Turntrans-73.3-2.6173.500000114.1D604 L606 Q610D604-A608 VanDerWaalsContact O-CB 3.28Å; D604-A608 WeakPolarHBondContact O-CB 3.45Å; D604-A608 PolarHBondContact O-N 3.24Å; L606-A608 VanDerWaalsContact C-N 3.33Å; L606-A608 PolarHBondContact O-N 2.89Å; A608-Q610 VanDerWaalsContact C-N 3.31Å; A608-Q610 HydrophobicContact CB-CG 4.23Å
609G69.1Low75.9Confident33 Ų3338.3 Ų38.334%0.3421%0.207SC..THydrogen-bonded Turntrans75.815-177.800000114.6C605 L606 L607 A611C605-G609 PolarHBondContact O-N 3.44Å; L606-G609 PolarHBondContact O-N 3.42Å; L606-G609 VanDerWaalsContact O-N 3.09Å; L607-G609 PolarHBondContact O-N 3.13Å; G609-A611 VanDerWaalsContact C-N 3.28Å; G609-A611 PolarHBondContact O-N 3.34Å; G609-A611 VanDerWaalsContact O-N 3.15Å
610Q76.6Confident75.9Confident87 Ų8737.8 Ų37.841%0.40721%0.207SC..  trans-91.754.7-175.4-66175.5-37.400111.6C605 A608 P612 Q613 A614C605-Q610 HydrophobicContact CB-CB 4.41Å; C605-Q610 WeakPolarHBondContact O-CA 3.29Å; C605-Q610 WeakPolarHBondContact O-CB 3.31Å; C605-Q610 PolarHBondContact O-N 3.01Å; A608-Q610 VanDerWaalsContact C-N 3.31Å; A608-Q610 HydrophobicContact CB-CG 4.23Å; Q610-P612 VanDerWaalsContact C-CD 3.5Å; Q610-Q613 HydrophobicContact CB-CB 4.28Å; Q610-Q613 PolarHBondContact O-N 3.45Å; Q610-A614 PolarHBondContact O-N 3.34Å; Q610-A614 VanDerWaalsContact O-N 3.12Å
611A71.6Confident75.8Confident0 Ų036.7 Ų36.70%020%0.2CC..Hα-helixtrans-41.8-50.2179.600000115.6Q565 L566 G609 Q613 L615Q565-A611 HydrophobicContact CB-CB 3.93Å; L566-A611 HydrophobicContact CD2-CB 3.86Å; L566-A611 VanDerWaalsContact CD2-O 3.29Å; L566-A611 WeakPolarHBondContact CD2-O 3.4Å; L566-A611 HydrophobicContact CG-CB 4Å; G609-A611 VanDerWaalsContact C-N 3.28Å; G609-A611 PolarHBondContact O-N 3.34Å; G609-A611 VanDerWaalsContact O-N 3.15Å; A611-Q613 VanDerWaalsContact C-N 3.35Å; A611-Q613 PolarHBondContact O-N 3.09Å; A611-L615 PolarHBondContact O-N 2.92Å
612P72.4Confident75.8Confident63 Ų6332.4 Ų32.441%0.40918%0.184SC..Hα-helixtrans-64.9-35.6179.624.1-34.1000113.3Q610 L615 T616Q610-P612 VanDerWaalsContact C-CD 3.5Å; P612-L615 PolarHBondContact O-N 3.27Å; P612-T616 PolarHBondContact O-N 3.03Å; P612-T616 PolarHBondContact O-OG1 2.88Å
613Q72.8Confident75.5Confident77 Ų7740.1 Ų40.136%0.3622%0.22SC..Hα-helixtrans-73.8-38.6-177-67.7178-51.200111.7Q610 A611 L615 T616 L617Q610-Q613 HydrophobicContact CB-CB 4.28Å; Q610-Q613 PolarHBondContact O-N 3.45Å; A611-Q613 VanDerWaalsContact C-N 3.35Å; A611-Q613 PolarHBondContact O-N 3.09Å; Q613-L615 VanDerWaalsContact C-N 3.3Å; Q613-L615 PolarHBondContact O-N 3.08Å; Q613-T616 WeakPolarHBondContact CA-OG1 3.49Å; Q613-T616 PolarHBondContact O-N 3.28Å; Q613-T616 PolarHBondContact O-OG1 2.89Å; Q613-L617 WeakPolarHBondContact O-CB 3.39Å; Q613-L617 VanDerWaalsContact O-CG 3.32Å; Q613-L617 WeakPolarHBondContact O-CG 3.47Å; Q613-L617 PolarHBondContact O-N 3Å
614A76.8Confident75.2Confident0 Ų042.1 Ų42.10%023%0.233CC..Hα-helixtrans-60.3-40170.600000112I602 C605 L606 Q610 L618I602-A614 HydrophobicContact CG2-CB 4.41Å; C605-A614 HydrophobicContact CB-CB 3.95Å; L606-A614 HydrophobicContact CD2-CB 3.63Å; L606-A614 HydrophobicContact CG-CB 3.75Å; Q610-A614 PolarHBondContact O-N 3.34Å; Q610-A614 VanDerWaalsContact O-N 3.12Å; A614-L618 WeakPolarHBondContact O-CB 3.39Å; A614-L618 PolarHBondContact O-N 3.49Å
615L76.3Confident75Confident9 Ų940 Ų405%0.04722%0.22CC..Hα-helixtrans-71.4-38.1179.4-171.6152.7000112.4L566 A611 P612 Q613 R619 L645L566-L615 HydrophobicContact CD2-CB 4.06Å; L566-L615 HydrophobicContact CD2-CD1 3.96Å; A611-L615 PolarHBondContact O-N 2.92Å; P612-L615 PolarHBondContact O-N 3.27Å; Q613-L615 VanDerWaalsContact C-N 3.3Å; Q613-L615 PolarHBondContact O-N 3.08Å; L615-R619 PolarHBondContact O-N 3.34Å; L615-L645 HydrophobicContact CB-CD1 4.49Å
616T75.6Confident74.3Confident36 Ų3643 Ų4322%0.22124%0.239CC..Hα-helixtrans-67.8-40.5172.649.10000112.3S576 P612 Q613 R619 S620S576-T616 WeakPolarHBondContact OG-CG2 3.17Å; P612-T616 PolarHBondContact O-N 3.03Å; P612-T616 PolarHBondContact O-OG1 2.88Å; Q613-T616 WeakPolarHBondContact CA-OG1 3.49Å; Q613-T616 PolarHBondContact O-N 3.28Å; Q613-T616 PolarHBondContact O-OG1 2.89Å; T616-R619 PolarHBondContact O-N 3.13Å; T616-S620 PolarHBondContact O-N 3.36Å; T616-S620 PolarHBondContact O-OG 3.39Å
617L77.9Confident73.3Confident17 Ų1750.7 Ų50.79%0.08928%0.275CS..Hα-helixtrans-64.1-41.9176.1-77.1168.9000111.9M580 I602 Q613 R619 S620 A621M580-L617 HydrophobicContact CB-CD2 3.74Å; M580-L617 HydrophobicContact SD-CD1 4.47Å; M580-L617 HydrophobicContact SD-CD2 4.18Å; M580-L617 HydrophobicContact SD-CG 4.47Å; I602-L617 HydrophobicContact CD1-CB 4.33Å; I602-L617 HydrophobicContact CG1-CB 3.8Å; Q613-L617 WeakPolarHBondContact O-CB 3.39Å; Q613-L617 VanDerWaalsContact O-CG 3.32Å; Q613-L617 WeakPolarHBondContact O-CG 3.47Å; Q613-L617 PolarHBondContact O-N 3Å; L617-R619 VanDerWaalsContact C-N 3.33Å; L617-R619 PolarHBondContact O-N 3.36Å; L617-S620 PolarHBondContact O-N 3.34Å; L617-S620 PolarHBondContact O-OG 2.98Å; L617-A621 WeakPolarHBondContact O-CB 3.45Å; L617-A621 PolarHBondContact O-N 2.98Å
618L78.6Confident72.5Confident1 Ų151.1 Ų51.11%0.00529%0.292CS..Hα-helixtrans-57.9-44.8174.7-172.985.2000111.8I602 A614 A621 R622 F631 L645 I648I602-L618 HydrophobicContact CD1-CB 4.37Å; I602-L618 HydrophobicContact CD1-CD1 4.32Å; A614-L618 WeakPolarHBondContact O-CB 3.39Å; A614-L618 PolarHBondContact O-N 3.49Å; L618-A621 PolarHBondContact O-N 2.95Å; L618-R622 PolarHBondContact O-N 3.44Å; L618-F631 HydrophobicContact CD1-CD1 4.03Å; L618-L645 HydrophobicContact CB-CD2 4.29Å; L618-L645 HydrophobicContact CD1-CD2 4.11Å; L618-L645 HydrophobicContact CD2-CD1 4.44Å; L618-L645 HydrophobicContact CD2-CD2 4.15Å; L618-L645 HydrophobicContact CD2-CG 4.06Å; L618-L645 HydrophobicContact CG-CD2 4.42Å; L618-I648 HydrophobicContact CD1-CD1 3.69Å
619R79.8Confident71.7Confident88 Ų8853.5 Ų53.533%0.33230%0.295SS..Hα-helixtrans-70.3-42.5-178.9-72.3-179.9176.8172.70.4112.1L615 T616 L617 A621 R622 E623 E641L615-R619 PolarHBondContact O-N 3.34Å; T616-R619 PolarHBondContact O-N 3.13Å; L617-R619 VanDerWaalsContact C-N 3.33Å; L617-R619 PolarHBondContact O-N 3.36Å; R619-A621 VanDerWaalsContact C-N 3.31Å; R619-A621 PolarHBondContact O-N 3.37Å; R619-R622 PolarHBondContact O-N 2.78Å; R619-E623 PolarHBondContact O-N 2.69Å; R619-E623 VanDerWaalsContact O-N 3.09Å; R619-E641 IonicContact CZ-OE2 2.77Å; R619-E641 IonicContact NE-OE1 2.72Å; R619-E641 PolarHBondContact NE-OE1 3.03Å; R619-E641 IonicContact NE-OE2 2.77Å; R619-E641 PolarHBondContact NE-OE2 3.4Å; R619-E641 IonicContact NH2-OE2 2.94Å; R619-E641 PolarHBondContact NH2-OE2 2.85Å
620S75.3Confident71.4Confident22 Ų2255.1 Ų55.115%0.15430%0.298CS..Hα-helixtrans-65.4-3517466.20000112.2M580 T616 L617 R622 E623 V624M580-S620 PolarHBondContact O-OG 2.81Å; T616-S620 PolarHBondContact O-N 3.36Å; T616-S620 PolarHBondContact O-OG 3.39Å; L617-S620 PolarHBondContact O-N 3.34Å; L617-S620 PolarHBondContact O-OG 2.98Å; S620-R622 VanDerWaalsContact C-N 3.35Å; S620-R622 PolarHBondContact O-N 3.13Å; S620-E623 PolarHBondContact O-N 2.95Å; S620-V624 WeakPolarHBondContact O-CG2 3.43Å; S620-V624 PolarHBondContact O-N 2.95Å; S620-V624 VanDerWaalsContact O-N 3.09Å
621A75.6Confident70.7Confident0 Ų051.1 Ų51.10%028%0.28CS..Hα-helixtrans-64.5-36.7173.700000112.3P582 L617 L618 R619 V624 W625 F631P582-A621 HydrophobicContact CB-CB 4.3Å; P582-A621 HydrophobicContact CG-CB 4.44Å; L617-A621 WeakPolarHBondContact O-CB 3.45Å; L617-A621 PolarHBondContact O-N 2.98Å; L618-A621 PolarHBondContact O-N 2.95Å; R619-A621 VanDerWaalsContact C-N 3.31Å; R619-A621 PolarHBondContact O-N 3.37Å; A621-V624 PolarHBondContact O-N 3.31Å; A621-W625 HydrophobicContact CB-CE3 3.86Å; A621-W625 HydrophobicContact CB-CZ3 3.88Å; A621-W625 PolarHBondContact O-N 2.94Å; A621-F631 HydrophobicContact CB-CD1 4.31Å; A621-F631 HydrophobicContact CB-CD2 4.06Å; A621-F631 HydrophobicContact CB-CE1 4.21Å; A621-F631 HydrophobicContact CB-CE2 3.98Å; A621-F631 HydrophobicContact CB-CG 4.23Å; A621-F631 HydrophobicContact CB-CZ 4.06Å
622R76.4Confident70.3Confident23 Ų2351.7 Ų51.79%0.08729%0.286CS..Hα-helixtrans-67.5-35.1173.2-170.2-175.5-63.7141.56.5112.8L618 R619 S620 F631 G632 S633 E641L618-R622 PolarHBondContact O-N 3.44Å; R619-R622 PolarHBondContact O-N 2.78Å; S620-R622 VanDerWaalsContact C-N 3.35Å; S620-R622 PolarHBondContact O-N 3.13Å; R622-F631 HydrophobicContact CB-CB 4.33Å; R622-F631 PolarHBondContact NE-O 2.95Å; R622-F631 PolarHBondContact NH2-O 3.25Å; R622-G632 VanDerWaalsContact CD-O 3.28Å; R622-G632 WeakPolarHBondContact CD-O 3.25Å; R622-G632 WeakPolarHBondContact CG-O 3.25Å; R622-G632 PolarHBondContact NE-O 2.99Å; R622-G632 VanDerWaalsContact NE-O 3.1Å; R622-S633 WeakPolarHBondContact CD-O 3.25Å; R622-S633 PolarHBondContact NE-O 3.01Å; R622-E641 IonicContact CZ-OE1 2.71Å; R622-E641 IonicContact NH1-OE1 3.21Å; R622-E641 PolarHBondContact NH1-OE1 3.41Å; R622-E641 IonicContact NH2-OE1 3.76Å; R622-E641 PolarHBondContact NH2-OE1 3Å
623E72.6Confident69.8Low164 Ų16451.7 Ų51.777%0.76629%0.287SS*.Hα-helixtrans-68.7-35.5175.3-72.1178.9-18000112.5R619 S620R619-E623 PolarHBondContact O-N 2.69Å; R619-E623 VanDerWaalsContact O-N 3.09Å; S620-E623 PolarHBondContact O-N 2.95Å
624V71.3Confident69.1Low58 Ų5855.5 Ų55.535%0.35231%0.305SS..Hα-helixtrans-84.1-37.4179.6177.30000113P582 F583 S620 A621 P626P582-V624 HydrophobicContact CG-CB 4.4Å; P582-V624 HydrophobicContact CG-CG2 3.99Å; F583-V624 HydrophobicContact CB-CG1 3.78Å; F583-V624 HydrophobicContact CD1-CG1 4.12Å; F583-V624 HydrophobicContact CG-CG1 4.02Å; S620-V624 WeakPolarHBondContact O-CG2 3.43Å; S620-V624 PolarHBondContact O-N 2.95Å; S620-V624 VanDerWaalsContact O-N 3.09Å; A621-V624 PolarHBondContact O-N 3.31Å; V624-P626 VanDerWaalsContact C-CD 3.42Å; V624-P626 VanDerWaalsContact O-CD 3.23Å; V624-P626 WeakPolarHBondContact O-CD 3.24Å
625W74.2Confident68.2Low24 Ų2463.3 Ų63.39%0.09135%0.347CS..  trans-118.973-177.7-60.9-66.1000112.4P582 F583 V591 Q594 R595 A598 A621 E627 F631P582-W625 HydrophobicContact CB-CH2 4.26Å; P582-W625 HydrophobicContact CB-CZ3 3.94Å; P582-W625 HydrophobicContact CG-CZ3 4.18Å; P582-W625 WeakPolarHBondContact O-CH2 3.46Å; F583-W625 HydrophobicContact CB-CH2 4.11Å; F583-W625 HydrophobicContact CB-CZ2 3.87Å; F583-W625 AromaticContact CD2-CZ2 3.99Å; F583-W625 HydrophobicContact CD2-CZ2 3.99Å; F583-W625 HydrophobicContact CG-CZ2 4.32Å; V591-W625 VanDerWaalsContact CG1-NE1 3.29Å; Q594-W625 HydrophobicContact CB-CZ2 4.27Å; R595-W625 HydrophobicContact CB-CZ2 4.46Å; R595-W625 HydrophobicContact CG-CD2 4.48Å; A598-W625 HydrophobicContact CB-CH2 3.82Å; A598-W625 HydrophobicContact CB-CZ3 3.7Å; A621-W625 HydrophobicContact CB-CE3 3.86Å; A621-W625 HydrophobicContact CB-CZ3 3.88Å; A621-W625 PolarHBondContact O-N 2.94Å; W625-E627 PolarHBondContact O-N 3.22Å; W625-F631 HydrophobicContact CB-CD2 4.45Å; W625-F631 HydrophobicContact CB-CE2 4.48Å; W625-F631 HydrophobicContact CD2-CE2 4.39Å; W625-F631 HydrophobicContact CE3-CD2 4.38Å; W625-F631 AromaticContact CE3-CE2 3.65Å; W625-F631 HydrophobicContact CE3-CE2 3.65Å; W625-F631 HydrophobicContact CE3-CZ 4.36Å; W625-F631 HydrophobicContact CZ3-CE2 4.26Å
626P62.2Low67.6Low83 Ų8364.9 Ų64.954%0.53936%0.355SS..  trans-71.2-14.2178.329.9-36.1000113.9V624V624-P626 VanDerWaalsContact C-CD 3.42Å; V624-P626 VanDerWaalsContact O-CD 3.23Å; V624-P626 WeakPolarHBondContact O-CD 3.24Å
627E53.9Low67.3Low161 Ų16165.3 Ų65.375%0.75236%0.359SS*.SBendtrans-96.4131.9-175.1-62.2-169175.600112.9R595 W625R595-E627 PolarHBondContact NH1-O 3.11Å; R595-E627 PolarHBondContact NH2-O 3.13Å; W625-E627 PolarHBondContact O-N 3.22Å
628G58.1Low66.7Low61 Ų6167.8 Ų67.863%0.62938%0.376SS*.SBendtrans95.812.8173.100000116.9V630G628-V630 WeakPolarHBondContact O-CG2 3.43Å; G628-V630 PolarHBondContact O-N 3.07Å
629D58.7Low66.1Low117 Ų11774.6 Ų74.663%0.62641%0.408SS*.SBendtrans56.3-2.7170.2-79-33.7000118.9F631 G632D629-F631 PolarHBondContact O-N 3.33Å; D629-F631 VanDerWaalsContact O-N 3.1Å; D629-G632 WeakPolarHBondContact O-CA 3.25Å; D629-G632 PolarHBondContact O-N 3.34Å
630V62.1Low65.5Low66 Ų6675.5 Ų75.540%0.442%0.416SS..THydrogen-bonded Turntrans-57-31.9-175.4-174.40000113.9M599 G628M599-V630 HydrophobicContact CE-CG1 4.33Å; M599-V630 HydrophobicContact SD-CG1 3.58Å; M599-V630 VanDerWaalsContact SD-CG1 3.58Å; G628-V630 WeakPolarHBondContact O-CG2 3.43Å; G628-V630 PolarHBondContact O-N 3.07Å
631F62.8Low65.4Low3 Ų374.9 Ų74.91%0.01341%0.411CS..THydrogen-bonded Turntrans-1027.7175.6-58.8-64.5000113.3R595 M599 I602 L618 A621 R622 W625 D629R595-F631 HydrophobicContact CG-CE2 3.87Å; R595-F631 HydrophobicContact CG-CZ 4.18Å; M599-F631 HydrophobicContact CG-CE1 3.57Å; M599-F631 HydrophobicContact CG-CZ 3.78Å; M599-F631 HydrophobicContact SD-CE1 4.44Å; I602-F631 HydrophobicContact CD1-CE1 4.24Å; L618-F631 HydrophobicContact CD1-CD1 4.03Å; A621-F631 HydrophobicContact CB-CD1 4.31Å; A621-F631 HydrophobicContact CB-CD2 4.06Å; A621-F631 HydrophobicContact CB-CE1 4.21Å; A621-F631 HydrophobicContact CB-CE2 3.98Å; A621-F631 HydrophobicContact CB-CG 4.23Å; A621-F631 HydrophobicContact CB-CZ 4.06Å; R622-F631 HydrophobicContact CB-CB 4.33Å; R622-F631 PolarHBondContact NE-O 2.95Å; R622-F631 PolarHBondContact NH2-O 3.25Å; W625-F631 HydrophobicContact CB-CD2 4.45Å; W625-F631 HydrophobicContact CB-CE2 4.48Å; W625-F631 HydrophobicContact CD2-CE2 4.39Å; W625-F631 HydrophobicContact CE3-CD2 4.38Å; W625-F631 AromaticContact CE3-CE2 3.65Å; W625-F631 HydrophobicContact CE3-CE2 3.65Å; W625-F631 HydrophobicContact CE3-CZ 4.36Å; W625-F631 HydrophobicContact CZ3-CE2 4.26Å; D629-F631 PolarHBondContact O-N 3.33Å; D629-F631 VanDerWaalsContact O-N 3.1Å
632G63.6Low65.2Low13 Ų1375.9 Ų75.913%0.13442%0.416CS..  trans76.9160.5-174.900000114.5R622 D629 I636R622-G632 VanDerWaalsContact CD-O 3.28Å; R622-G632 WeakPolarHBondContact CD-O 3.25Å; R622-G632 WeakPolarHBondContact CG-O 3.25Å; R622-G632 PolarHBondContact NE-O 2.99Å; R622-G632 VanDerWaalsContact NE-O 3.1Å; D629-G632 WeakPolarHBondContact O-CA 3.25Å; D629-G632 PolarHBondContact O-N 3.34Å; G632-I636 VanDerWaalsContact CA-CD1 3.41Å
633S62Low65.1Low62 Ų6279.5 Ų79.543%0.43443%0.434SS..  trans-75.8174.4178.166.20000113.5R622 D635 I636R622-S633 WeakPolarHBondContact CD-O 3.25Å; R622-S633 PolarHBondContact NE-O 3.01Å; S633-D635 PolarHBondContact O-N 3.1Å; S633-I636 VanDerWaalsContact N-CD1 3.27Å; S633-I636 WeakPolarHBondContact O-CG1 3.49Å
634Q57.5Low65.1Low157 Ų15773.1 Ų73.173%0.73441%0.405SS*.THydrogen-bonded Turntrans-75.1-22.3-170.4-65.9-177.5-8.100114.9
635D57.3Low65.4Low164 Ų16470.4 Ų70.488%0.87739%0.388SS*.THydrogen-bonded Turntrans-99.821.7-173.8-67-52.6000114.1S633S633-D635 PolarHBondContact O-N 3.1Å
636I65Low65.4Low43 Ų4372 Ų7222%0.22140%0.396CS..  trans-74.7141.4-173.1-74-176.6000112.9G632 S633 E640 E641 L644G632-I636 VanDerWaalsContact CA-CD1 3.41Å; S633-I636 VanDerWaalsContact N-CD1 3.27Å; S633-I636 WeakPolarHBondContact O-CG1 3.49Å; I636-E640 HydrophobicContact CG2-CB 3.55Å; I636-E641 HydrophobicContact CG2-CG 3.82Å; I636-L644 HydrophobicContact CD1-CD1 4.03Å
637S68.8Low66Low44 Ų4473 Ų7331%0.30839%0.394SS..  trans-75152.4177.274.90000112.4E639 E640 E641S637-E639 PolarHBondContact O-N 3.2Å; S637-E639 VanDerWaalsContact O-N 3.1Å; S637-E640 VanDerWaalsContact CB-OE2 3.23Å; S637-E640 WeakPolarHBondContact CB-OE2 3.32Å; S637-E640 PolarHBondContact N-OE2 3.3Å; S637-E640 WeakPolarHBondContact O-CB 3.34Å; S637-E640 PolarHBondContact O-N 2.98Å; S637-E640 VanDerWaalsContact OG-CD 3.23Å; S637-E640 WeakPolarHBondContact OG-CG 3.29Å; S637-E640 PolarHBondContact OG-OE2 2.72Å; S637-E641 PolarHBondContact O-N 3.28Å
638P65.6Low67Low69 Ų6966.2 Ų66.245%0.44836%0.362SS..Hα-helixtrans-64-19-178.325.8-35.5000113.9A570 I642A570-P638 HydrophobicContact CB-CB 4.13Å; P638-I642 WeakPolarHBondContact O-CD1 3.37Å; P638-I642 VanDerWaalsContact O-CG1 3.3Å; P638-I642 WeakPolarHBondContact O-CG1 3.46Å; P638-I642 PolarHBondContact O-N 3.01Å
639E64.8Low67.8Low144 Ų14463.7 Ų63.767%0.67333%0.334SS*.Hα-helixtrans-76.3-35.5174.2-59.9-176.2174.700111.2S637 Q643S637-E639 PolarHBondContact O-N 3.2Å; S637-E639 VanDerWaalsContact O-N 3.1Å; E639-Q643 PolarHBondContact O-N 3.4Å; E639-Q643 VanDerWaalsContact O-N 3.11Å
640E67.8Low68Low107 Ų10762.2 Ų62.250%0.533%0.333SS..Hα-helixtrans-75.3-33.7174.6-70.3161.9139.900112.2I636 S637 I642 Q643 L644I636-E640 HydrophobicContact CG2-CB 3.55Å; S637-E640 VanDerWaalsContact CB-OE2 3.23Å; S637-E640 WeakPolarHBondContact CB-OE2 3.32Å; S637-E640 PolarHBondContact N-OE2 3.3Å; S637-E640 WeakPolarHBondContact O-CB 3.34Å; S637-E640 PolarHBondContact O-N 2.98Å; S637-E640 VanDerWaalsContact OG-CD 3.23Å; S637-E640 WeakPolarHBondContact OG-CG 3.29Å; S637-E640 PolarHBondContact OG-OE2 2.72Å; E640-I642 VanDerWaalsContact C-N 3.3Å; E640-I642 PolarHBondContact O-N 3.14Å; E640-Q643 PolarHBondContact O-N 2.84Å; E640-Q643 VanDerWaalsContact O-N 3.15Å; E640-L644 WeakPolarHBondContact O-CG 3.38Å; E640-L644 PolarHBondContact O-N 2.74Å
641E72.4Confident68.6Low9 Ų960.5 Ų60.54%0.04233%0.325CS..Hα-helixtrans-59.5-41.5170.3-66.3-160.6123.300111.9R619 R622 I636 S637 Q643 L644 L645R619-E641 IonicContact CZ-OE2 2.77Å; R619-E641 IonicContact NE-OE1 2.72Å; R619-E641 PolarHBondContact NE-OE1 3.03Å; R619-E641 IonicContact NE-OE2 2.77Å; R619-E641 PolarHBondContact NE-OE2 3.4Å; R619-E641 IonicContact NH2-OE2 2.94Å; R619-E641 PolarHBondContact NH2-OE2 2.85Å; R622-E641 IonicContact CZ-OE1 2.71Å; R622-E641 IonicContact NH1-OE1 3.21Å; R622-E641 PolarHBondContact NH1-OE1 3.41Å; R622-E641 IonicContact NH2-OE1 3.76Å; R622-E641 PolarHBondContact NH2-OE1 3Å; I636-E641 HydrophobicContact CG2-CG 3.82Å; S637-E641 PolarHBondContact O-N 3.28Å; E641-Q643 VanDerWaalsContact C-N 3.33Å; E641-L644 PolarHBondContact O-N 3.39Å; E641-L645 WeakPolarHBondContact O-CG 3.32Å; E641-L645 PolarHBondContact O-N 3.16Å
642I72.3Confident68.3Low22 Ų2266.6 Ų66.611%0.11337%0.365CS..Hα-helixtrans-66.1-37.1175.2-68.9169.5000110.7W559 L566 Q567 P638 E640 L645 K646W559-I642 HydrophobicContact CH2-CG2 4.4Å; W559-I642 WeakPolarHBondContact CH2-O 3.36Å; W559-I642 HydrophobicContact CZ2-CG2 3.72Å; W559-I642 WeakPolarHBondContact CZ2-O 3.06Å; L566-I642 HydrophobicContact CB-CD1 4.22Å; L566-I642 HydrophobicContact CB-CG1 4.03Å; Q567-I642 HydrophobicContact CB-CD1 3.93Å; Q567-I642 HydrophobicContact CG-CD1 4.31Å; P638-I642 WeakPolarHBondContact O-CD1 3.37Å; P638-I642 VanDerWaalsContact O-CG1 3.3Å; P638-I642 WeakPolarHBondContact O-CG1 3.46Å; P638-I642 PolarHBondContact O-N 3.01Å; E640-I642 VanDerWaalsContact C-N 3.3Å; E640-I642 PolarHBondContact O-N 3.14Å; I642-L645 PolarHBondContact O-N 3.1Å; I642-K646 PolarHBondContact O-N 3.31Å
643Q73.2Confident68.6Low98 Ų9867.8 Ų67.846%0.45837%0.369SS..Hα-helixtrans-69.2-35.3176.2-173.860.127.500112.9E639 E640 E641 K646 Q647E639-Q643 PolarHBondContact O-N 3.4Å; E639-Q643 VanDerWaalsContact O-N 3.11Å; E640-Q643 PolarHBondContact O-N 2.84Å; E640-Q643 VanDerWaalsContact O-N 3.15Å; E641-Q643 VanDerWaalsContact C-N 3.33Å; Q643-K646 WeakPolarHBondContact O-CB 3.37Å; Q643-K646 PolarHBondContact O-N 2.97Å; Q643-Q647 WeakPolarHBondContact O-CG 3.39Å; Q643-Q647 PolarHBondContact O-N 3.04Å
644L74.1Confident68.2Low31 Ų3170.4 Ų70.416%0.16238%0.384CS..Hα-helixtrans-64.8-43.3171.5-74.1169.6000111.4I636 E640 E641 K646 Q647 I648I636-L644 HydrophobicContact CD1-CD1 4.03Å; E640-L644 WeakPolarHBondContact O-CG 3.38Å; E640-L644 PolarHBondContact O-N 2.74Å; E641-L644 PolarHBondContact O-N 3.39Å; L644-K646 VanDerWaalsContact C-N 3.27Å; L644-K646 PolarHBondContact O-N 3.3Å; L644-Q647 WeakPolarHBondContact O-CB 3.49Å; L644-Q647 PolarHBondContact O-N 2.98Å; L644-Q647 VanDerWaalsContact O-N 3.1Å; L644-I648 WeakPolarHBondContact O-CG1 3.28Å; L644-I648 PolarHBondContact O-N 3.33Å
645L76.1Confident68.2Low0 Ų068.8 Ų68.80%037%0.371CS..Hα-helixtrans-61.8-34.4172.7-70.7168.1000112W559 L566 I602 L606 L615 L618 E641 I642 L649W559-L645 HydrophobicContact CH2-CB 4.1Å; L566-L645 HydrophobicContact CD1-CD1 4.03Å; L566-L645 HydrophobicContact CD2-CD1 3.82Å; I602-L645 HydrophobicContact CG2-CD2 3.81Å; L606-L645 HydrophobicContact CD1-CB 4.33Å; L606-L645 HydrophobicContact CD1-CD2 4.17Å; L615-L645 HydrophobicContact CB-CD1 4.49Å; L618-L645 HydrophobicContact CB-CD2 4.29Å; L618-L645 HydrophobicContact CD1-CD2 4.11Å; L618-L645 HydrophobicContact CD2-CD1 4.44Å; L618-L645 HydrophobicContact CD2-CD2 4.15Å; L618-L645 HydrophobicContact CD2-CG 4.06Å; L618-L645 HydrophobicContact CG-CD2 4.42Å; E641-L645 WeakPolarHBondContact O-CG 3.32Å; E641-L645 PolarHBondContact O-N 3.16Å; I642-L645 PolarHBondContact O-N 3.1Å; L645-L649 WeakPolarHBondContact O-CB 3.29Å; L645-L649 PolarHBondContact O-N 3.26Å
646K75.8Confident67.6Low59 Ų5969.4 Ų69.426%0.25737%0.369SS..Hα-helixtrans-63.6-42.9171.6-158.8-175.3-177.7-166.50111.5E556 W559 I642 Q643 L644 L649 S650E556-K646 IonicContact OE1-NZ 3.7Å; E556-K646 PolarHBondContact OE1-NZ 2.82Å; E556-K646 VanDerWaalsContact OE1-NZ 3.12Å; W559-K646 HydrophobicContact CD2-CB 4.4Å; W559-K646 HydrophobicContact CD2-CD 4.32Å; W559-K646 HydrophobicContact CD2-CG 3.88Å; W559-K646 HydrophobicContact CE3-CG 4.28Å; W559-K646 HydrophobicContact CG-CD 4.37Å; W559-K646 HydrophobicContact CG-CG 4.37Å; W559-K646 HydrophobicContact CH2-CB 3.76Å; W559-K646 HydrophobicContact CH2-CG 4.29Å; W559-K646 HydrophobicContact CZ2-CB 3.5Å; W559-K646 VanDerWaalsContact CZ2-CB 3.5Å; W559-K646 HydrophobicContact CZ2-CD 4.48Å; W559-K646 HydrophobicContact CZ2-CG 3.89Å; W559-K646 HydrophobicContact CZ3-CB 4.31Å; W559-K646 HydrophobicContact CZ3-CG 4.46Å; I642-K646 PolarHBondContact O-N 3.31Å; Q643-K646 WeakPolarHBondContact O-CB 3.37Å; Q643-K646 PolarHBondContact O-N 2.97Å; L644-K646 VanDerWaalsContact C-N 3.27Å; L644-K646 PolarHBondContact O-N 3.3Å; K646-L649 PolarHBondContact O-N 3.15Å; K646-S650 WeakPolarHBondContact O-CB 3.11Å; K646-S650 PolarHBondContact O-N 3.45Å; K646-S650 PolarHBondContact O-OG 2.83Å
647Q74.9Confident66.1Low104 Ų10474.6 Ų74.649%0.48639%0.392SS..Hα-helixtrans-62.5-47.8178.3-73.1173.6-4.700111.3Q643 L644 L649 S650 A651Q643-Q647 WeakPolarHBondContact O-CG 3.39Å; Q643-Q647 PolarHBondContact O-N 3.04Å; L644-Q647 WeakPolarHBondContact O-CB 3.49Å; L644-Q647 PolarHBondContact O-N 2.98Å; L644-Q647 VanDerWaalsContact O-N 3.1Å; Q647-L649 PolarHBondContact O-N 3.44Å; Q647-S650 WeakPolarHBondContact CA-OG 3.38Å; Q647-S650 CarbonylContact O-C 3.58Å; Q647-S650 PolarHBondContact O-N 2.99Å; Q647-S650 VanDerWaalsContact O-N 3.14Å; Q647-S650 PolarHBondContact O-OG 3.37Å; Q647-A651 PolarHBondContact O-N 3.48Å
648I74.9Confident64.4Low17 Ų1775.1 Ų75.19%0.08740%0.404CS..Hα-helixtrans-60-44176.2-65.2166.9000111I602 Q603 L618 L644 S650 A651I602-I648 HydrophobicContact CG2-CD1 4.45Å; I602-I648 HydrophobicContact CG2-CG2 4.07Å; Q603-I648 HydrophobicContact CB-CG2 4.41Å; Q603-I648 PolarHBondContact NE2-O 3.08Å; L618-I648 HydrophobicContact CD1-CD1 3.69Å; L644-I648 WeakPolarHBondContact O-CG1 3.28Å; L644-I648 PolarHBondContact O-N 3.33Å; I648-S650 VanDerWaalsContact C-N 3.29Å; I648-S650 PolarHBondContact O-N 3.45Å; I648-A651 PolarHBondContact O-N 2.99Å
649L73.8Confident62.6Low9 Ų978.2 Ų78.25%0.04743%0.425CS..Hα-helixtrans-59.9-39.8175.7-176.462.7000112.2L555 W559 Q603 L606 L607 L645 K646 Q647 A651L555-L649 HydrophobicContact CD2-CD1 4.49Å; W559-L649 HydrophobicContact CE3-CD2 3.58Å; W559-L649 HydrophobicContact CZ3-CD2 3.95Å; Q603-L649 HydrophobicContact CG-CD1 4.48Å; Q603-L649 PolarHBondContact NE2-O 3.01Å; Q603-L649 VanDerWaalsContact NE2-O 3.1Å; L606-L649 HydrophobicContact CB-CD1 4.08Å; L606-L649 HydrophobicContact CD1-CB 4.14Å; L607-L649 HydrophobicContact CD2-CD1 3.92Å; L607-L649 HydrophobicContact CG-CD1 4.11Å; L645-L649 WeakPolarHBondContact O-CB 3.29Å; L645-L649 PolarHBondContact O-N 3.26Å; K646-L649 PolarHBondContact O-N 3.15Å; Q647-L649 PolarHBondContact O-N 3.44Å; L649-A651 VanDerWaalsContact C-N 3.34Å
650S64.2Low60.9Low86 Ų8679.1 Ų79.160%0.60143%0.429SS*.Hα-helixtrans-80.4-7.6179.568.10000115.3K646 Q647 I648K646-S650 WeakPolarHBondContact O-CB 3.11Å; K646-S650 PolarHBondContact O-N 3.45Å; K646-S650 PolarHBondContact O-OG 2.83Å; Q647-S650 WeakPolarHBondContact CA-OG 3.38Å; Q647-S650 CarbonylContact O-C 3.58Å; Q647-S650 PolarHBondContact O-N 2.99Å; Q647-S650 VanDerWaalsContact O-N 3.14Å; Q647-S650 PolarHBondContact O-OG 3.37Å; I648-S650 VanDerWaalsContact C-N 3.29Å; I648-S650 PolarHBondContact O-N 3.45Å
651A73.4Confident59.3Low29 Ų2981.5 Ų81.524%0.2444%0.44CS..SBendtrans-79.7130.7-175.300000111.5Q603 Q647 I648 L649 L653Q603-A651 PolarHBondContact NE2-O 3.34Å; Q647-A651 PolarHBondContact O-N 3.48Å; I648-A651 PolarHBondContact O-N 2.99Å; L649-A651 VanDerWaalsContact C-N 3.34Å; A651-L653 VanDerWaalsContact C-N 3.28Å; A651-L653 HydrophobicContact CB-CD2 4.31Å; A651-L653 HydrophobicContact CB-CG 4.2Å; A651-L653 PolarHBondContact O-N 3.07Å
652P57.1Low56.8Low131 Ų13187.6 Ų87.685%0.85148%0.482SS*.  trans-76.781.3170.132.1-33.2000109.5
653L69.1Low54.5Low39 Ų3989.2 Ų89.220%0.20450%0.504CS..  trans-76136.8175.7-63.5175.1000110.4M599 V600 Q603 A651 R655M599-L653 HydrophobicContact CB-CD1 3.74Å; V600-L653 HydrophobicContact CG2-CB 4.04Å; V600-L653 HydrophobicContact CG2-CD1 4.05Å; Q603-L653 HydrophobicContact CB-CD1 4.49Å; A651-L653 VanDerWaalsContact C-N 3.28Å; A651-L653 HydrophobicContact CB-CD2 4.31Å; A651-L653 HydrophobicContact CB-CG 4.2Å; A651-L653 PolarHBondContact O-N 3.07Å; L653-R655 PolarHBondContact O-N 3.29Å
654P54.3Low52.4Low117 Ų11790.6 Ų90.676%0.7652%0.519SS*.  trans-72.495.6174.530-33.2000109.5Q656P654-Q656 PolarHBondContact O-N 2.99Å
655R57.8Low50.2Low122 Ų12297.5 Ų97.546%0.4655%0.551SS.*  trans-65.4117.8164.5-70-171.7176.7117.2-4.6108.1V600 D604 L607 L653 Q657V600-R655 HydrophobicContact CG1-CG 4.06Å; D604-R655 IonicContact OD1-CZ 3.02Å; D604-R655 IonicContact OD1-NE 3.68Å; D604-R655 PolarHBondContact OD1-NE 2.92Å; D604-R655 IonicContact OD1-NH2 2.78Å; D604-R655 PolarHBondContact OD1-NH2 2.78Å; L607-R655 VanDerWaalsContact CD1-NH2 3.27Å; L653-R655 PolarHBondContact O-N 3.29Å; R655-Q657 PolarHBondContact O-N 3.12Å
656Q44.1Very low47.8Very low177 Ų177106.6 Ų106.683%0.82759%0.593SS**  trans-64.1103.5164.5-75.3178.3-1200108.1P654P654-Q656 PolarHBondContact O-N 2.99Å
657Q33.9Very low45.4Very low153 Ų153109.7 Ų109.772%0.71561%0.609SS**  trans-65.7139.1151.4-64.5175.7-93.300106.5R655R655-Q657 PolarHBondContact O-N 3.12Å
658G32Very low43.2Very low54 Ų54113.5 Ų113.556%0.55763%0.627SS**  trans-58.1153.6159.700000109E660G658-E660 PolarHBondContact O-N 3.33Å
659P28.7Very low41Very low135 Ų135121.5 Ų121.588%0.87766%0.663SS**  trans-58.6109-171.522-32.4000111.6
660E28.1Very low38.7Very low163 Ų163128.7 Ų128.776%0.76270%0.697SS**  trans-97.5112162.7-73.3-170.1151.600107.5G658 C662G658-E660 PolarHBondContact O-N 3.33Å; E660-C662 PolarHBondContact O-N 2.91Å
661E34.9Very low36.9Very low157 Ų157131.8 Ų131.873%0.73470%0.702SS**  trans-64.8126-177.1-52.9171.79400112.6Q667E661-Q667 PolarHBondContact OE1-NE2 2.96Å
662C20.6Very low34.9Very low137 Ų137138.9 Ų138.993%0.92673%0.73SS**  trans-169.5109.7151.9-159.90000110.7E660E660-C662 PolarHBondContact O-N 2.91Å
663G23.2Very low33.5Very low56 Ų56140.3 Ų140.358%0.57773%0.725SS**  cis162.9-172.5-3.700000111.5
664T28.8Very low31.5Very low127 Ų127145.6 Ų145.678%0.77975%0.749SS**  trans74.3119.5-179.28.30000117.1
665E28.1Very low30.2Very low175 Ų175147.9 Ų147.982%0.81875%0.75SS**SBendtrans75.250.3157.3-60.2-178.9-152.400119.1
666E26.6Very low28.9Very low192 Ų192149.9 Ų149.990%0.89776%0.764SS**  trans-156.211.5146.3-114.3150.4-14500115.7E668E666-E668 PolarHBondContact O-N 3.09Å; E666-E668 VanDerWaalsContact O-N 3.11Å
667Q25.8Very low28.2Very low123 Ų123147.1 Ų147.158%0.57575%0.751SS**THydrogen-bonded Turntrans-79.481.1177.7-68.8169.3-46.900113.4E661E661-Q667 PolarHBondContact OE1-NE2 2.96Å
668E27.8Very low27.9Very low185 Ų185147.7 Ų147.786%0.86475%0.754SS**THydrogen-bonded Turntrans-142.6-11.7156.5-78.1-160.9158.900114.4E666E666-E668 PolarHBondContact O-N 3.09Å; E666-E668 VanDerWaalsContact O-N 3.11Å
669E29Very low27.9Very low184 Ų184153.1 Ų153.186%0.8677%0.765SS**SBendtrans-107.4-15.6-176.9-64-167160.400115.5
670E25.8Very low28.2Very low160 Ų160152.6 Ų152.675%0.74875%0.754SS**SBendtrans-89.6-18.6-179.5-66.1-177.1146.600114.1E672 E673E670-E672 VanDerWaalsContact C-N 3.25Å; E670-E672 PolarHBondContact O-N 3.2Å; E670-E673 PolarHBondContact O-N 2.9Å
671E26.1Very low28.4Very low152 Ų152151.7 Ų151.771%0.7175%0.75SS**Hα-helixtrans-65-21.2-178.1-71.5-165.9156.400114
672E30.3Very low28.3Very low177 Ų177150.6 Ų150.683%0.82775%0.753SS**Hα-helixtrans-81.5-18.4177.7-69.6-160158.100113.8E670E670-E672 VanDerWaalsContact C-N 3.25Å; E670-E672 PolarHBondContact O-N 3.2Å
673E29.4Very low29.2Very low162 Ų162147 Ų14776%0.75773%0.727SS**Hα-helixtrans-88.9-34.2177.8-63.8-157.8153.200112.8E670E670-E673 PolarHBondContact O-N 2.9Å
674E26.2Very low29.5Very low149 Ų149150.3 Ų150.370%0.69673%0.727SS**Hα-helixtrans-70.6-31.1179.3-67.3-156.8139.300114E676 E677 E678E674-E676 VanDerWaalsContact C-N 3.28Å; E674-E676 PolarHBondContact O-N 3.27Å; E674-E677 PolarHBondContact O-N 3.3Å; E674-E678 PolarHBondContact O-N 3.39Å; E674-E678 VanDerWaalsContact O-N 3.1Å
675E27.2Very low30.1Very low166 Ų166147.5 Ų147.578%0.77671%0.71SS**Hα-helixtrans-64.3-27.5178.2-79.9-150150.400113.1
676E30.4Very low30.6Very low163 Ų163141 Ų14176%0.76268%0.684SS**Hα-helixtrans-79.8-31.1175.3-67.3-144.4146.500113.1E674E674-E676 VanDerWaalsContact C-N 3.28Å; E674-E676 PolarHBondContact O-N 3.27Å
677E29.6Very low31.9Very low120 Ų120139 Ų13956%0.56168%0.675SS**Hα-helixtrans-74.9-41.8177.7-75.5-107.8138.100112.5E674 E679 L680E674-E677 PolarHBondContact O-N 3.3Å; E677-E679 VanDerWaalsContact C-N 3.31Å; E677-E679 PolarHBondContact O-N 3.45Å; E677-L680 WeakPolarHBondContact O-CB 3.39Å; E677-L680 PolarHBondContact O-N 3.17Å
678E28.1Very low33.5Very low165 Ų165138.3 Ų138.377%0.77167%0.67SS**Hα-helixtrans-60.7-33.7-177.7-86.4-122.7125.600113.5E674 L680 Q681E674-E678 PolarHBondContact O-N 3.39Å; E674-E678 VanDerWaalsContact O-N 3.1Å; E678-L680 PolarHBondContact O-N 3.14Å; E678-L680 VanDerWaalsContact O-N 3.13Å; E678-Q681 PolarHBondContact O-N 3.29Å
679E30.5Very low35.2Very low168 Ų168135 Ų13579%0.78565%0.654SS**THydrogen-bonded Turntrans-60.7-21.7176.6-95.2-98.1133.700112.8E677E677-E679 VanDerWaalsContact C-N 3.31Å; E677-E679 PolarHBondContact O-N 3.45Å
680L35.6Very low37.2Very low124 Ų124127.5 Ų127.565%0.64962%0.619SS**THydrogen-bonded Turntrans-90.4-26.5-176-63173.9000113.9E677 E678 V682E677-L680 WeakPolarHBondContact O-CB 3.39Å; E677-L680 PolarHBondContact O-N 3.17Å; E678-L680 PolarHBondContact O-N 3.14Å; E678-L680 VanDerWaalsContact O-N 3.13Å; L680-V682 PolarHBondContact O-N 2.88Å
681Q31.8Very low39.7Very low143 Ų143123.5 Ų123.567%0.66860%0.602SS**SBendtrans-94.920.5-156.5-65.2-130.131.900117.9E678E678-Q681 PolarHBondContact O-N 3.29Å
682V33.7Very low42.3Very low134 Ų134117.7 Ų117.781%0.81258%0.575SS**  trans-129.749.9167.1-156.80000114.3L680 Q684L680-V682 PolarHBondContact O-N 2.88Å; V682-Q684 PolarHBondContact O-N 3Å
683V39Very low44.7Very low61 Ų61112.8 Ų112.837%0.3755%0.554SS.*  trans-88.6100.3171.7-172.70000111.2K528 V685K528-V683 HydrophobicContact CB-CG1 3.64Å; K528-V683 HydrophobicContact CG-CG1 3.77Å; V683-V685 PolarHBondContact O-N 3.32Å
684Q30.1Very low47.1Very low126 Ų126108 Ų10859%0.58953%0.534SS*.  trans-59.7106.4168.8-77.2-162.6-63.300110.7V682 S686V682-Q684 PolarHBondContact O-N 3Å; Q684-S686 PolarHBondContact O-N 2.9Å
685V40.6Very low49.9Very low69 Ų69101.2 Ų101.242%0.41850%0.502SS..EExtended strand (participates in β ladder)trans-60.1127.3169.6167.50000109.3Q526 V683Q526-V685 HydrophobicContact CB-CG1 3.66Å; Q526-V685 HydrophobicContact CG-CG1 3.54Å; V683-V685 PolarHBondContact O-N 3.32Å
686S38.4Very low52.6Low39 Ų3993.4 Ų93.427%0.27347%0.465SS..EExtended strand (participates in β ladder)trans-112.7117.8164.958.10000110N527 Q684N527-S686 PolarHBondContact N-O 2.63Å; N527-S686 PolarHBondContact O-N 3.14Å; N527-S686 PolarHBondContact O-OG 3.47Å; Q684-S686 PolarHBondContact O-N 2.9Å
687E54.1Low55.2Low150 Ų15090.6 Ų90.670%0.70145%0.451SS*.EExtended strand (participates in β ladder)trans-64.9133.2169.1-75.8-179.2-166.700110.8V524V524-E687 HydrophobicContact CG1-CB 3.63Å; V524-E687 HydrophobicContact CG1-CG 3.85Å
688K60Low57.8Low108 Ų10889.6 Ų89.647%0.4744%0.442SS..EExtended strand (participates in β ladder)trans-146.3141.3173.6-168.3-149.7168.6-156.90109.3V525 F690 D694V525-K688 PolarHBondContact N-O 3.31Å; V525-K688 PolarHBondContact O-N 3.12Å; K688-F690 PolarHBondContact O-N 3.34Å; K688-D694 IonicContact NZ-OD2 3.02Å; K688-D694 PolarHBondContact NZ-OD2 2.87Å
689E63.3Low60.5Low114 Ų11481.8 Ų81.853%0.53341%0.405SS..EExtended strand (participates in β ladder)trans-50.8123.9166.9-57.9-176.5133.100111.2N522 N691N522-E689 HydrophobicContact CB-CG 4.38Å; N522-E689 PolarHBondContact ND2-OE1 2.96Å; E689-N691 PolarHBondContact O-N 3.4Å
690F70.8Confident63Low27 Ų2773.9 Ų73.912%0.11837%0.369CS..  trans-77.2115.3176.7178.4-96.7000109.9L513 L523 V525 K688 F692 Y695L513-F690 HydrophobicContact CD1-CE1 4.07Å; L513-F690 HydrophobicContact CD1-CZ 4.42Å; L513-F690 HydrophobicContact CD2-CE1 4.15Å; L513-F690 HydrophobicContact CD2-CZ 3.88Å; L513-F690 HydrophobicContact CG-CE1 4.18Å; L513-F690 HydrophobicContact CG-CZ 4.42Å; L523-F690 HydrophobicContact CB-CB 4.16Å; L523-F690 HydrophobicContact CD2-CB 4.25Å; L523-F690 HydrophobicContact CD2-CD1 4.15Å; L523-F690 HydrophobicContact CD2-CG 4.22Å; L523-F690 HydrophobicContact CG-CB 4.21Å; L523-F690 WeakPolarHBondContact O-CB 3.18Å; L523-F690 PolarHBondContact O-N 3.03Å; V525-F690 HydrophobicContact CB-CB 4.04Å; V525-F690 HydrophobicContact CB-CD2 4.34Å; V525-F690 HydrophobicContact CG2-CB 3.74Å; V525-F690 HydrophobicContact CG2-CD2 3.89Å; V525-F690 HydrophobicContact CG2-CG 4.07Å; K688-F690 PolarHBondContact O-N 3.34Å; F690-F692 HydrophobicContact CE1-CB 4.26Å; F690-Y695 HydrophobicContact CE2-CD2 4.38Å; F690-Y695 HydrophobicContact CE2-CG 4.09Å; F690-Y695 HydrophobicContact CZ-CD1 4.06Å; F690-Y695 HydrophobicContact CZ-CD2 4.46Å; F690-Y695 AromaticContact CZ-CG 3.78Å; F690-Y695 HydrophobicContact CZ-CG 3.78Å
691N77.9Confident65.2Low76 Ų7669.9 Ų69.941%0.40635%0.35SS..  trans-101113.5173.3-171.8-28000109.7E689 L693 D694 Y695E689-N691 PolarHBondContact O-N 3.4Å; N691-L693 PolarHBondContact O-N 3.37Å; N691-L693 VanDerWaalsContact O-N 3.17Å; N691-L693 WeakPolarHBondContact OD1-CB 3.06Å; N691-L693 PolarHBondContact OD1-N 3.17Å; N691-D694 HydrophobicContact CB-CB 4.09Å; N691-D694 WeakPolarHBondContact O-CA 3.4Å; N691-D694 WeakPolarHBondContact O-CB 3.41Å; N691-D694 PolarHBondContact O-N 3.07Å; N691-Y695 PolarHBondContact O-N 3.03Å
692F80.4Confident67.6Low31 Ų3164.2 Ų64.214%0.13633%0.327CS..Hα-helixtrans-54.5-32.2177179.4-107.1000113.1L510 L513 E514 F690 Y695 L696L510-F692 HydrophobicContact CD2-CE2 4.07Å; L510-F692 HydrophobicContact CD2-CZ 4.46Å; L513-F692 HydrophobicContact CB-CE2 4.4Å; L513-F692 HydrophobicContact CD2-CD2 4.24Å; L513-F692 HydrophobicContact CD2-CE2 4.38Å; L513-F692 HydrophobicContact CG-CD2 4.1Å; L513-F692 HydrophobicContact CG-CE2 4.31Å; E514-F692 HydrophobicContact CB-CE1 4.11Å; E514-F692 HydrophobicContact CB-CE2 4.05Å; E514-F692 HydrophobicContact CB-CZ 3.69Å; E514-F692 HydrophobicContact CG-CE1 3.89Å; E514-F692 HydrophobicContact CG-CZ 3.99Å; F690-F692 HydrophobicContact CE1-CB 4.26Å; F692-Y695 PolarHBondContact O-N 3.39Å; F692-L696 HydrophobicContact CD1-CD1 3.93Å; F692-L696 HydrophobicContact CD1-CG 4.42Å; F692-L696 HydrophobicContact CE1-CD1 3.46Å; F692-L696 VanDerWaalsContact CE1-CD1 3.46Å; F692-L696 HydrophobicContact CE1-CG 4.07Å; F692-L696 HydrophobicContact CZ-CD1 3.93Å; F692-L696 HydrophobicContact CZ-CD2 4.41Å; F692-L696 HydrophobicContact CZ-CG 4.14Å; F692-L696 WeakPolarHBondContact O-CG 3.44Å; F692-L696 PolarHBondContact O-N 3.08Å
693L80.6Confident70Confident73 Ų7360.4 Ų60.438%0.38230%0.304SS..Hα-helixtrans-73.1-30.9174.8-59.3175.9000112.5N691 L696 K697 L737N691-L693 PolarHBondContact O-N 3.37Å; N691-L693 VanDerWaalsContact O-N 3.17Å; N691-L693 WeakPolarHBondContact OD1-CB 3.06Å; N691-L693 PolarHBondContact OD1-N 3.17Å; L693-L696 HydrophobicContact CD2-CD1 4.44Å; L693-K697 WeakPolarHBondContact O-CE 3.33Å; L693-K697 VanDerWaalsContact O-CG 3.25Å; L693-K697 WeakPolarHBondContact O-CG 3.27Å; L693-K697 PolarHBondContact O-N 2.81Å; L693-K697 VanDerWaalsContact O-N 3.15Å; L693-L737 HydrophobicContact CB-CD2 4.33Å; L693-L737 HydrophobicContact CD2-CD2 4.27Å
694D81.4Confident72.2Confident62 Ų6257.5 Ų57.533%0.33229%0.286SS..Hα-helixtrans-70.9-35.5172.3-75.3-13.9000111.3K688 N691 K697K688-D694 IonicContact NZ-OD2 3.02Å; K688-D694 PolarHBondContact NZ-OD2 2.87Å; N691-D694 HydrophobicContact CB-CB 4.09Å; N691-D694 WeakPolarHBondContact O-CA 3.4Å; N691-D694 WeakPolarHBondContact O-CB 3.41Å; N691-D694 PolarHBondContact O-N 3.07Å; D694-K697 PolarHBondContact O-N 3.21Å; D694-K697 IonicContact OD1-NZ 3.26Å; D694-K697 PolarHBondContact OD1-NZ 2.77Å
695Y83.9Confident74.9Confident7 Ų751.6 Ų51.63%0.02726%0.258CS..Hα-helixtrans-66.9-46.2172.1-179.6-115.6000111.9R479 L483 F509 L510 L513 F690 N691 F692 K697 R698 F699R479-Y695 HydrophobicContact CB-CE2 4.25Å; R479-Y695 WeakPolarHBondContact O-CE2 3.46Å; R479-Y695 PolarHBondContact O-OH 2.92Å; L483-Y695 HydrophobicContact CD1-CD2 4.48Å; L483-Y695 HydrophobicContact CD1-CE2 3.79Å; F509-Y695 HydrophobicContact CE1-CE1 4.32Å; L510-Y695 HydrophobicContact CD2-CD1 4.08Å; L510-Y695 HydrophobicContact CD2-CE1 3.64Å; L513-Y695 HydrophobicContact CD2-CD1 3.75Å; L513-Y695 HydrophobicContact CD2-CE1 3.66Å; F690-Y695 HydrophobicContact CE2-CD2 4.38Å; F690-Y695 HydrophobicContact CE2-CG 4.09Å; F690-Y695 HydrophobicContact CZ-CD1 4.06Å; F690-Y695 HydrophobicContact CZ-CD2 4.46Å; F690-Y695 AromaticContact CZ-CG 3.78Å; F690-Y695 HydrophobicContact CZ-CG 3.78Å; N691-Y695 PolarHBondContact O-N 3.03Å; F692-Y695 PolarHBondContact O-N 3.39Å; Y695-K697 VanDerWaalsContact C-N 3.25Å; Y695-K697 PolarHBondContact O-N 3.41Å; Y695-R698 VanDerWaalsContact O-CB 3.25Å; Y695-R698 WeakPolarHBondContact O-CB 3.27Å; Y695-R698 WeakPolarHBondContact O-CG 3.4Å; Y695-R698 PolarHBondContact O-N 3.26Å; Y695-F699 HydrophobicContact CD1-CE2 4.25Å; Y695-F699 AromaticContact CE1-CE2 3.73Å; Y695-F699 HydrophobicContact CE1-CE2 3.73Å; Y695-F699 HydrophobicContact CE1-CZ 4.3Å; Y695-F699 HydrophobicContact CE2-CE2 4.25Å; Y695-F699 AromaticContact CZ-CE2 3.69Å
696L84.4Confident77Confident1 Ų155 Ų551%0.00526%0.264CS..Hα-helixtrans-58.3-33.4174.9-80.3178.4000113.2L510 F692 L693 R698 F699 M729 L737L510-L696 HydrophobicContact CD1-CD2 4.13Å; L510-L696 HydrophobicContact CD2-CD2 3.94Å; F692-L696 HydrophobicContact CD1-CD1 3.93Å; F692-L696 HydrophobicContact CD1-CG 4.42Å; F692-L696 HydrophobicContact CE1-CD1 3.46Å; F692-L696 VanDerWaalsContact CE1-CD1 3.46Å; F692-L696 HydrophobicContact CE1-CG 4.07Å; F692-L696 HydrophobicContact CZ-CD1 3.93Å; F692-L696 HydrophobicContact CZ-CD2 4.41Å; F692-L696 HydrophobicContact CZ-CG 4.14Å; F692-L696 WeakPolarHBondContact O-CG 3.44Å; F692-L696 PolarHBondContact O-N 3.08Å; L693-L696 HydrophobicContact CD2-CD1 4.44Å; L696-R698 PolarHBondContact O-N 3.5Å; L696-F699 PolarHBondContact O-N 3.39Å; L696-F699 VanDerWaalsContact O-N 3.09Å; L696-M729 HydrophobicContact CD2-CE 4.22Å; L696-L737 HydrophobicContact CB-CD1 4.18Å; L696-L737 HydrophobicContact CB-CD2 4.14Å; L696-L737 HydrophobicContact CB-CG 4.44Å
697K85.4Confident79.3Confident105 Ų10553.3 Ų53.346%0.45725%0.253SS..Hα-helixtrans-60.2-23.7174-71.8163.5-153.9165.90113.1L693 D694 Y695 F699 A700 L737L693-K697 WeakPolarHBondContact O-CE 3.33Å; L693-K697 VanDerWaalsContact O-CG 3.25Å; L693-K697 WeakPolarHBondContact O-CG 3.27Å; L693-K697 PolarHBondContact O-N 2.81Å; L693-K697 VanDerWaalsContact O-N 3.15Å; D694-K697 PolarHBondContact O-N 3.21Å; D694-K697 IonicContact OD1-NZ 3.26Å; D694-K697 PolarHBondContact OD1-NZ 2.77Å; Y695-K697 VanDerWaalsContact C-N 3.25Å; Y695-K697 PolarHBondContact O-N 3.41Å; K697-F699 VanDerWaalsContact C-N 3.28Å; K697-F699 PolarHBondContact O-N 2.94Å; K697-A700 VanDerWaalsContact O-CB 3.29Å; K697-A700 WeakPolarHBondContact O-CB 3.48Å; K697-A700 PolarHBondContact O-N 3.31Å; K697-A700 VanDerWaalsContact O-N 3.17Å; K697-L737 HydrophobicContact CG-CD1 4.07Å; K697-L737 HydrophobicContact CG-CD2 3.97Å
698R84.6Confident81Confident99 Ų9946.3 Ų46.337%0.37422%0.22SC..Hα-helixtrans-68.1-27.3176-55.7176.575.7108.26.4112.6E480 L483 Y695 L696 A700E480-R698 IonicContact OE1-CZ 3.88Å; E480-R698 IonicContact OE1-NE 3.61Å; E480-R698 PolarHBondContact OE1-NE 2.95Å; E480-R698 IonicContact OE1-NH1 2.72Å; E480-R698 PolarHBondContact OE1-NH1 2.87Å; E480-R698 IonicContact OE1-NH2 3.31Å; E480-R698 PolarHBondContact OE1-NH2 3.14Å; E480-R698 VanDerWaalsContact OE1-NH2 3.08Å; E480-R698 IonicContact OE2-CZ 3.69Å; E480-R698 IonicContact OE2-NE 3.82Å; E480-R698 PolarHBondContact OE2-NE 2.9Å; E480-R698 IonicContact OE2-NH2 2.75Å; E480-R698 PolarHBondContact OE2-NH2 3.29Å; L483-R698 HydrophobicContact CD1-CB 3.58Å; L483-R698 HydrophobicContact CD1-CG 4.29Å; L483-R698 HydrophobicContact CD2-CB 3.86Å; L483-R698 HydrophobicContact CG-CB 4.41Å; Y695-R698 VanDerWaalsContact O-CB 3.25Å; Y695-R698 WeakPolarHBondContact O-CB 3.27Å; Y695-R698 WeakPolarHBondContact O-CG 3.4Å; Y695-R698 PolarHBondContact O-N 3.26Å; L696-R698 PolarHBondContact O-N 3.5Å; R698-A700 VanDerWaalsContact C-N 3.33Å
699F84.6Confident82.3Confident1 Ų141.3 Ų41.30%0.00420%0.198CC..THydrogen-bonded Turntrans-81.5-10174.2-65.4-93.6000113L483 F486 T506 L510 Y695 L696 K697 C701 V704 M729 L733L483-F699 HydrophobicContact CD1-CE2 4.14Å; L483-F699 HydrophobicContact CD1-CZ 4.31Å; L483-F699 HydrophobicContact CD2-CB 4.35Å; L483-F699 HydrophobicContact CD2-CD1 3.57Å; L483-F699 HydrophobicContact CD2-CD2 3.71Å; L483-F699 HydrophobicContact CD2-CE1 3.63Å; L483-F699 HydrophobicContact CD2-CE2 3.77Å; L483-F699 HydrophobicContact CD2-CG 3.6Å; L483-F699 HydrophobicContact CD2-CZ 3.74Å; L483-F699 HydrophobicContact CG-CD1 4.36Å; L483-F699 HydrophobicContact CG-CD2 4.37Å; L483-F699 HydrophobicContact CG-CE1 3.92Å; L483-F699 HydrophobicContact CG-CE2 3.92Å; L483-F699 HydrophobicContact CG-CZ 3.68Å; F486-F699 HydrophobicContact CD2-CE1 4.46Å; T506-F699 HydrophobicContact CG2-CE1 3.75Å; T506-F699 HydrophobicContact CG2-CZ 4.17Å; L510-F699 HydrophobicContact CD2-CE2 4.22Å; Y695-F699 HydrophobicContact CD1-CE2 4.25Å; Y695-F699 AromaticContact CE1-CE2 3.73Å; Y695-F699 HydrophobicContact CE1-CE2 3.73Å; Y695-F699 HydrophobicContact CE1-CZ 4.3Å; Y695-F699 HydrophobicContact CE2-CE2 4.25Å; Y695-F699 AromaticContact CZ-CE2 3.69Å; L696-F699 PolarHBondContact O-N 3.39Å; L696-F699 VanDerWaalsContact O-N 3.09Å; K697-F699 VanDerWaalsContact C-N 3.28Å; K697-F699 PolarHBondContact O-N 2.94Å; F699-C701 PolarHBondContact O-N 3.05Å; F699-V704 HydrophobicContact CB-CG1 4.5Å; F699-V704 HydrophobicContact CD1-CG1 4.35Å; F699-M729 HydrophobicContact CB-CE 3.44Å; F699-M729 VanDerWaalsContact CB-CE 3.44Å; F699-M729 HydrophobicContact CD1-CE 3.8Å; F699-M729 HydrophobicContact CD2-CE 4.18Å; F699-M729 HydrophobicContact CG-CE 3.54Å; F699-L733 HydrophobicContact CB-CD2 4.36Å
700A81.6Confident83.4Confident2 Ų237.3 Ų37.32%0.01718%0.18CC..  trans-78.748.5-179.900000112.5K697 R698 L733 L737 L742 T798K697-A700 VanDerWaalsContact O-CB 3.29Å; K697-A700 WeakPolarHBondContact O-CB 3.48Å; K697-A700 PolarHBondContact O-N 3.31Å; K697-A700 VanDerWaalsContact O-N 3.17Å; R698-A700 VanDerWaalsContact C-N 3.33Å; A700-L733 HydrophobicContact CB-CD2 4.14Å; A700-L737 HydrophobicContact CB-CD1 4.35Å; A700-L742 HydrophobicContact CB-CD1 3.92Å; A700-T798 PolarHBondContact O-OG1 2.76Å; A700-T798 VanDerWaalsContact O-OG1 3.12Å
701C81.9Confident84.1Confident39 Ų3936 Ų3626%0.26418%0.175SC..SBendtrans-116.3147.3-177-175.40000111F699 T703 V704 V705F699-C701 PolarHBondContact O-N 3.05Å; C701-T703 VanDerWaalsContact C-N 3.34Å; C701-T703 PolarHBondContact O-N 3.02Å; C701-T703 PolarHBondContact SG-OG1 3.1Å; C701-V704 HydrophobicContact CB-CG2 4.07Å; C701-V704 PolarHBondContact O-N 3.41Å; C701-V705 WeakPolarHBondContact O-CG2 3.32Å; C701-V705 PolarHBondContact O-N 3.13Å; C701-V705 VanDerWaalsContact O-N 3.07Å
702S82.1Confident84.4Confident25 Ų2532.5 Ų32.518%0.17516%0.156CC..Hα-helixtrans-64.3-32.6-175.456.80000113.7R706S702-R706 VanDerWaalsContact O-CB 3.31Å; S702-R706 WeakPolarHBondContact O-CB 3.49Å; S702-R706 WeakPolarHBondContact O-CD 3.19Å; S702-R706 WeakPolarHBondContact O-CG 3.35Å; S702-R706 PolarHBondContact O-N 3.3Å
703T84.8Confident84.7Confident53 Ų5336.8 Ų36.833%0.32517%0.171SC..Hα-helixtrans-65.7-47.717550.50000112C701 R706 A707C701-T703 VanDerWaalsContact C-N 3.34Å; C701-T703 PolarHBondContact O-N 3.02Å; C701-T703 PolarHBondContact SG-OG1 3.1Å; T703-R706 WeakPolarHBondContact O-CB 3.45Å; T703-R706 PolarHBondContact O-N 3.07Å; T703-A707 PolarHBondContact O-N 3.47Å; T703-A707 VanDerWaalsContact O-N 3.08Å
704V85.4Confident84.7Confident0 Ų034.7 Ų34.70%016%0.163CC..Hα-helixtrans-58.2-52.4175.9-1740000110F486 F699 C701 R706 A707 Y708F486-V704 HydrophobicContact CB-CB 4.48Å; F486-V704 HydrophobicContact CB-CG1 4.3Å; F486-V704 HydrophobicContact CB-CG2 3.97Å; F486-V704 HydrophobicContact CD2-CG1 4.44Å; F486-V704 HydrophobicContact CG-CG1 4.22Å; F699-V704 HydrophobicContact CB-CG1 4.5Å; F699-V704 HydrophobicContact CD1-CG1 4.35Å; C701-V704 HydrophobicContact CB-CG2 4.07Å; C701-V704 PolarHBondContact O-N 3.41Å; V704-R706 VanDerWaalsContact C-N 3.31Å; V704-R706 PolarHBondContact O-N 3.34Å; V704-A707 WeakPolarHBondContact O-CB 3.38Å; V704-A707 PolarHBondContact O-N 3.2Å; V704-A707 VanDerWaalsContact O-N 3.09Å; V704-Y708 HydrophobicContact CG1-CD2 4.01Å; V704-Y708 HydrophobicContact CG1-CE2 3.89Å; V704-Y708 WeakPolarHBondContact O-CD2 3.48Å; V704-Y708 PolarHBondContact O-N 3.13Å; V704-Y708 VanDerWaalsContact O-N 3.13Å
705V85.9Confident84.7Confident2 Ų231.9 Ų31.91%0.01215%0.147CC..Hα-helixtrans-61.7-38-179.9177.30000111.7C701 A707 Y708 V709 L733 L743 W795C701-V705 WeakPolarHBondContact O-CG2 3.32Å; C701-V705 PolarHBondContact O-N 3.13Å; C701-V705 VanDerWaalsContact O-N 3.07Å; V705-A707 VanDerWaalsContact C-N 3.34Å; V705-A707 PolarHBondContact O-N 3.17Å; V705-Y708 PolarHBondContact O-N 3.38Å; V705-V709 HydrophobicContact CG1-CG2 4.31Å; V705-V709 WeakPolarHBondContact O-CB 3.3Å; V705-V709 VanDerWaalsContact O-CG2 3.29Å; V705-V709 WeakPolarHBondContact O-CG2 3.32Å; V705-V709 PolarHBondContact O-N 3.1Å; V705-L733 HydrophobicContact CG2-CD1 4.07Å; V705-L743 HydrophobicContact CG1-CD2 3.63Å; V705-W795 HydrophobicContact CG1-CZ3 3.9Å
706R86.2Confident84.4Confident140 Ų14035.1 Ų35.153%0.52816%0.163SC..Hα-helixtrans-57.6-43.8172.9-82.5166.764.3160.3-1.3112.3S702 T703 V704 V709 L710 W795S702-R706 VanDerWaalsContact O-CB 3.31Å; S702-R706 WeakPolarHBondContact O-CB 3.49Å; S702-R706 WeakPolarHBondContact O-CD 3.19Å; S702-R706 WeakPolarHBondContact O-CG 3.35Å; S702-R706 PolarHBondContact O-N 3.3Å; T703-R706 WeakPolarHBondContact O-CB 3.45Å; T703-R706 PolarHBondContact O-N 3.07Å; V704-R706 VanDerWaalsContact C-N 3.31Å; V704-R706 PolarHBondContact O-N 3.34Å; R706-V709 PolarHBondContact O-N 3.38Å; R706-L710 WeakPolarHBondContact O-CB 3.44Å; R706-L710 PolarHBondContact O-N 3.13Å; R706-W795 HydrophobicContact CB-CZ2 4.45Å; R706-W795 HydrophobicContact CG-CD2 3.77Å; R706-W795 HydrophobicContact CG-CE3 4.11Å; R706-W795 HydrophobicContact CG-CG 4.45Å; R706-W795 HydrophobicContact CG-CH2 3.75Å; R706-W795 HydrophobicContact CG-CZ2 3.35Å; R706-W795 HydrophobicContact CG-CZ3 4.11Å
707A86.9Confident84Confident5 Ų542 Ų424%0.04120%0.195CC..Hα-helixtrans-64.4-48.117900000111.8F486 L499 T703 V704 V705 V709 L710 L711F486-A707 HydrophobicContact CD1-CB 4.1Å; F486-A707 HydrophobicContact CE1-CB 4.44Å; L499-A707 HydrophobicContact CD1-CB 3.86Å; T703-A707 PolarHBondContact O-N 3.47Å; T703-A707 VanDerWaalsContact O-N 3.08Å; V704-A707 WeakPolarHBondContact O-CB 3.38Å; V704-A707 PolarHBondContact O-N 3.2Å; V704-A707 VanDerWaalsContact O-N 3.09Å; V705-A707 VanDerWaalsContact C-N 3.34Å; V705-A707 PolarHBondContact O-N 3.17Å; A707-V709 VanDerWaalsContact C-N 3.3Å; A707-V709 PolarHBondContact O-N 3.47Å; A707-L710 WeakPolarHBondContact O-CB 3.38Å; A707-L710 PolarHBondContact O-N 2.85Å; A707-L710 VanDerWaalsContact O-N 3.14Å; A707-L711 PolarHBondContact O-N 3.13Å
708Y88.7Confident83.8Confident2 Ų237.9 Ų37.91%0.00818%0.178CC..Hα-helixtrans-59.3-38.7174.3-82.3-94.3000112.5F486 V503 V704 V705 L712 I726 M729F486-Y708 HydrophobicContact CD1-CE2 4.39Å; F486-Y708 HydrophobicContact CE1-CD2 4.22Å; F486-Y708 AromaticContact CE1-CE2 3.7Å; F486-Y708 HydrophobicContact CE1-CE2 3.7Å; F486-Y708 AromaticContact CE2-CE2 3.99Å; F486-Y708 HydrophobicContact CE2-CE2 3.99Å; F486-Y708 HydrophobicContact CZ-CD2 4.41Å; F486-Y708 AromaticContact CZ-CE2 3.47Å; F486-Y708 HydrophobicContact CZ-CE2 3.47Å; F486-Y708 VanDerWaalsContact CZ-CE2 3.47Å; F486-Y708 AromaticContact CZ-CZ 3.74Å; V503-Y708 HydrophobicContact CB-CE1 4.25Å; V503-Y708 HydrophobicContact CG1-CD1 4.27Å; V503-Y708 HydrophobicContact CG1-CE1 3.64Å; V503-Y708 HydrophobicContact CG2-CD1 4.09Å; V503-Y708 HydrophobicContact CG2-CE1 3.73Å; V503-Y708 HydrophobicContact CG2-CE2 4.29Å; V704-Y708 HydrophobicContact CG1-CD2 4.01Å; V704-Y708 HydrophobicContact CG1-CE2 3.89Å; V704-Y708 WeakPolarHBondContact O-CD2 3.48Å; V704-Y708 PolarHBondContact O-N 3.13Å; V704-Y708 VanDerWaalsContact O-N 3.13Å; V705-Y708 PolarHBondContact O-N 3.38Å; Y708-L712 WeakPolarHBondContact O-CB 3.25Å; Y708-L712 PolarHBondContact O-N 2.81Å; Y708-I726 HydrophobicContact CD1-CB 4.44Å; Y708-I726 HydrophobicContact CD1-CG1 4.36Å; Y708-I726 HydrophobicContact CD1-CG2 4.28Å; Y708-M729 HydrophobicContact CD1-CB 4.23Å; Y708-M729 HydrophobicContact CE1-CB 3.59Å; Y708-M729 HydrophobicContact CE1-CG 3.81Å; Y708-M729 HydrophobicContact CE2-CG 4.24Å
709V87.3Confident83.6Confident3 Ų336 Ų362%0.01818%0.18CC..Hα-helixtrans-70.2-34.7176.1170.10000112.2V705 R706 A707 L712 R713 V748 W795V705-V709 HydrophobicContact CG1-CG2 4.31Å; V705-V709 WeakPolarHBondContact O-CB 3.3Å; V705-V709 VanDerWaalsContact O-CG2 3.29Å; V705-V709 WeakPolarHBondContact O-CG2 3.32Å; V705-V709 PolarHBondContact O-N 3.1Å; R706-V709 PolarHBondContact O-N 3.38Å; A707-V709 VanDerWaalsContact C-N 3.3Å; A707-V709 PolarHBondContact O-N 3.47Å; V709-L712 PolarHBondContact O-N 3.2Å; V709-R713 WeakPolarHBondContact O-CG 3.24Å; V709-R713 PolarHBondContact O-N 2.78Å; V709-R713 VanDerWaalsContact O-N 3.07Å; V709-V748 HydrophobicContact CG1-CG2 4.08Å; V709-V748 HydrophobicContact CG2-CG2 3.83Å; V709-W795 HydrophobicContact CG2-CH2 4.41Å
710L86.1Confident83.5Confident30 Ų3040.2 Ų40.216%0.15722%0.215CC..Hα-helixtrans-63.8-45.2174.4-178.364.6000111.4F489 E491 L499 R706 A707 L712 R713F489-L710 HydrophobicContact CE1-CD2 4.03Å; E491-L710 HydrophobicContact CG-CD2 4.17Å; L499-L710 HydrophobicContact CD2-CB 4.43Å; L499-L710 HydrophobicContact CD2-CD2 4.18Å; L499-L710 HydrophobicContact CD2-CG 4.45Å; R706-L710 WeakPolarHBondContact O-CB 3.44Å; R706-L710 PolarHBondContact O-N 3.13Å; A707-L710 WeakPolarHBondContact O-CB 3.38Å; A707-L710 PolarHBondContact O-N 2.85Å; A707-L710 VanDerWaalsContact O-N 3.14Å; L710-L712 VanDerWaalsContact C-N 3.29Å; L710-L712 PolarHBondContact O-N 2.95Å; L710-R713 PolarHBondContact O-N 2.68Å
711L85.1Confident83.7Confident0 Ų045 Ų450%024%0.237CC..Hα-helixtrans-63.8-36.7174.4-166.366.7000111.3R496 L499 R500 V503 A707 R713 N718 T722 I726R496-L711 HydrophobicContact CG-CD1 4.23Å; R496-L711 PolarHBondContact NH2-O 3.3Å; L499-L711 HydrophobicContact CD2-CB 4.09Å; L499-L711 HydrophobicContact CG-CB 4.26Å; L499-L711 HydrophobicContact CG-CD1 4.33Å; R500-L711 HydrophobicContact CB-CD1 4.2Å; V503-L711 HydrophobicContact CB-CD2 3.98Å; V503-L711 HydrophobicContact CG1-CD2 4.16Å; V503-L711 HydrophobicContact CG2-CD2 3.85Å; A707-L711 PolarHBondContact O-N 3.13Å; L711-R713 VanDerWaalsContact C-N 3.35Å; L711-R713 PolarHBondContact O-N 3.05Å; L711-N718 PolarHBondContact O-ND2 3.45Å; L711-T722 HydrophobicContact CD2-CG2 3.92Å; L711-T722 HydrophobicContact CG-CG2 4.47Å; L711-I726 HydrophobicContact CB-CD1 4.13Å; L711-I726 HydrophobicContact CD2-CD1 3.74Å; L711-I726 HydrophobicContact CD2-CG1 4Å; L711-I726 HydrophobicContact CG-CD1 3.81Å
712L86.1Confident84Confident2 Ų243.1 Ų43.11%0.0122%0.224CC..Hα-helixtrans-68.5-25.4177.7-171.361.2000114.1Y708 V709 L710 S714 Y715 I726 L730 L751 L767Y708-L712 WeakPolarHBondContact O-CB 3.25Å; Y708-L712 PolarHBondContact O-N 2.81Å; V709-L712 PolarHBondContact O-N 3.2Å; L710-L712 VanDerWaalsContact C-N 3.29Å; L710-L712 PolarHBondContact O-N 2.95Å; L712-S714 PolarHBondContact O-N 2.56Å; L712-S714 VanDerWaalsContact O-N 3.09Å; L712-Y715 WeakPolarHBondContact O-CD1 3.49Å; L712-Y715 PolarHBondContact O-N 3.38Å; L712-Y715 VanDerWaalsContact O-N 3.08Å; L712-I726 HydrophobicContact CB-CG2 4.25Å; L712-I726 HydrophobicContact CD1-CG2 4.15Å; L712-I726 HydrophobicContact CD2-CG2 4.5Å; L712-L730 HydrophobicContact CD2-CD1 4.3Å; L712-L751 HydrophobicContact CB-CD1 4.12Å; L712-L751 HydrophobicContact CD2-CD1 4.11Å; L712-L751 HydrophobicContact CD2-CD2 4.05Å; L712-L751 HydrophobicContact CG-CD1 3.85Å; L712-L751 HydrophobicContact CG-CD2 3.92Å; L712-L767 HydrophobicContact CD1-CD2 3.6Å
713R85.2Confident84.3Confident121 Ų12142.3 Ų42.346%0.45722%0.218SC..THydrogen-bonded Turntrans-57.6-26.6-179.4-79.6170.7-178.5178.4-0.3113.7V709 L710 L711 L751V709-R713 WeakPolarHBondContact O-CG 3.24Å; V709-R713 PolarHBondContact O-N 2.78Å; V709-R713 VanDerWaalsContact O-N 3.07Å; L710-R713 PolarHBondContact O-N 2.68Å; L711-R713 VanDerWaalsContact C-N 3.35Å; L711-R713 PolarHBondContact O-N 3.05Å; R713-L751 HydrophobicContact CB-CD1 4.47Å; R713-L751 HydrophobicContact CG-CD1 3.92Å
714S80.5Confident84.5Confident30 Ų3042.9 Ų42.921%0.2122%0.217CC..THydrogen-bonded Turntrans-114.441.7176.5-17.80000112.6R496 L712 Q716 Q717 N718R496-S714 PolarHBondContact NH1-OG 3.03Å; L712-S714 PolarHBondContact O-N 2.56Å; L712-S714 VanDerWaalsContact O-N 3.09Å; S714-Q716 PolarHBondContact O-N 3.26Å; S714-Q717 PolarHBondContact O-N 3.33Å; S714-N718 PolarHBondContact O-N 3.17Å
715Y81.8Confident84.7Confident2 Ų242.9 Ų42.91%0.00822%0.217CC..THydrogen-bonded Turntrans-48.6-26.3173.466.7-89000114.3L712 Q717 N723 L751 L755 D758 Y764L712-Y715 WeakPolarHBondContact O-CD1 3.49Å; L712-Y715 PolarHBondContact O-N 3.38Å; L712-Y715 VanDerWaalsContact O-N 3.08Å; Y715-Q717 VanDerWaalsContact C-N 3.32Å; Y715-Q717 PolarHBondContact O-N 3.29Å; Y715-N723 PolarHBondContact O-ND2 3.16Å; Y715-L751 HydrophobicContact CD1-CD2 4.47Å; Y715-L755 HydrophobicContact CD1-CD1 4.18Å; Y715-L755 HydrophobicContact CD2-CD1 4Å; Y715-L755 HydrophobicContact CE1-CB 4.27Å; Y715-L755 HydrophobicContact CE1-CD1 4.25Å; Y715-L755 HydrophobicContact CE2-CD1 4.06Å; Y715-L755 HydrophobicContact CE2-CG 4.23Å; Y715-L755 HydrophobicContact CG-CD1 4.06Å; Y715-D758 PolarHBondContact OH-OD2 2.95Å; Y715-Y764 HydrophobicContact CD2-CD2 4.19Å; Y715-Y764 HydrophobicContact CD2-CE1 4.34Å; Y715-Y764 AromaticContact CD2-CE2 3.92Å; Y715-Y764 HydrophobicContact CD2-CE2 3.92Å; Y715-Y764 HydrophobicContact CE2-CD2 4.17Å; Y715-Y764 AromaticContact CE2-CE2 3.94Å; Y715-Y764 HydrophobicContact CE2-CE2 3.94Å
716Q77.4Confident84.9Confident76 Ų7642.8 Ų42.836%0.35522%0.216SC..THydrogen-bonded Turntrans-71.8-13.6176-67.8-173.4-15.900115.8R259 S714 D758R259-Q716 PolarHBondContact NH1-O 3.13Å; R259-Q716 VanDerWaalsContact NH1-O 3.08Å; S714-Q716 PolarHBondContact O-N 3.26Å; Q716-D758 PolarHBondContact NE2-OD2 3.24Å
717Q77.4Confident85.1Confident144 Ų14436.8 Ų36.867%0.67320%0.195SC*.THydrogen-bonded Turntrans-112.7-15.4176.8-65.2174.3-61.300112.2S714 Y715S714-Q717 PolarHBondContact O-N 3.33Å; Y715-Q717 VanDerWaalsContact C-N 3.32Å; Y715-Q717 PolarHBondContact O-N 3.29Å
718N80.9Confident85.3Confident20 Ų2040.3 Ų40.311%0.10721%0.209CC..SBendtrans-76149.5178.7-69.9-12.7000111.4R496 L711 S714 T722 N723R496-N718 PolarHBondContact NH2-OD1 3.06Å; L711-N718 PolarHBondContact O-ND2 3.45Å; S714-N718 PolarHBondContact O-N 3.17Å; N718-T722 HydrophobicContact CB-CG2 4.29Å; N718-N723 WeakPolarHBondContact CB-ND2 3.4Å; N718-N723 VanDerWaalsContact CB-OD1 3.3Å; N718-N723 WeakPolarHBondContact CB-OD1 3.26Å; N718-N723 PolarHBondContact ND2-OD1 3.2Å
719S80Confident85.3Confident59 Ų5940.3 Ų40.341%0.41321%0.21SC..  trans-63.7161168.283.40000111.5H721 T722 N723S719-H721 PolarHBondContact O-N 3.49Å; S719-H721 PolarHBondContact OG-N 2.86Å; S719-T722 PolarHBondContact O-N 2.9Å; S719-T722 PolarHBondContact OG-N 3.23Å; S719-T722 PolarHBondContact OG-OG1 2.92Å; S719-N723 PolarHBondContact O-N 3.06Å; S719-N723 VanDerWaalsContact O-N 3.09Å; S719-N723 PolarHBondContact O-ND2 3.21Å
720A82.9Confident85.4Confident89 Ų8940.4 Ų40.474%0.73621%0.21SC*.Hα-helixtrans-59.2-37.117200000112H724A720-H724 PolarHBondContact O-N 3.24Å
721H86.2Confident85.6Confident103 Ų10341.8 Ų41.848%0.47722%0.215SC..Hα-helixtrans-65.4-50.8177.3-175.972.9000111.8S719 N723 H724 C725S719-H721 PolarHBondContact O-N 3.49Å; S719-H721 PolarHBondContact OG-N 2.86Å; H721-N723 VanDerWaalsContact C-N 3.28Å; H721-N723 PolarHBondContact O-N 3.2Å; H721-H724 WeakPolarHBondContact O-CB 3.46Å; H721-H724 PolarHBondContact O-N 3.19Å; H721-H724 VanDerWaalsContact O-N 3.08Å; H721-C725 PolarHBondContact NE2-SG 2.76Å; H721-C725 VanDerWaalsContact NE2-SG 3.4Å; H721-C725 PolarHBondContact O-N 2.91Å; H721-C725 PolarHBondContact O-SG 2.83Å; H721-C725 VanDerWaalsContact O-SG 3.4Å
722T86.5Confident85.7Confident0 Ų042 Ų420%022%0.216CC..Hα-helixtrans-53.5-47.5176.4-45.40000111.1R500 E504 L711 N718 S719 H724 C725 I726R500-T722 HydrophobicContact CG-CG2 3.77Å; E504-T722 VanDerWaalsContact OE1-CA 3.24Å; E504-T722 WeakPolarHBondContact OE1-CA 3.36Å; E504-T722 WeakPolarHBondContact OE1-CB 3.34Å; E504-T722 PolarHBondContact OE1-OG1 3.43Å; L711-T722 HydrophobicContact CD2-CG2 3.92Å; L711-T722 HydrophobicContact CG-CG2 4.47Å; N718-T722 HydrophobicContact CB-CG2 4.29Å; S719-T722 PolarHBondContact O-N 2.9Å; S719-T722 PolarHBondContact OG-N 3.23Å; S719-T722 PolarHBondContact OG-OG1 2.92Å; T722-H724 PolarHBondContact O-N 3.06Å; T722-C725 PolarHBondContact O-N 3.03Å; T722-I726 HydrophobicContact CG2-CD1 4.3Å; T722-I726 WeakPolarHBondContact O-CG1 3.04Å; T722-I726 PolarHBondContact O-N 3.21Å
723N89Confident85.7Confident7 Ų742.1 Ų42.14%0.03722%0.217CC..Hα-helixtrans-63.7-39.9179.1-77-36.7000112.1Y715 N718 S719 H721 V727 L767Y715-N723 PolarHBondContact O-ND2 3.16Å; N718-N723 WeakPolarHBondContact CB-ND2 3.4Å; N718-N723 VanDerWaalsContact CB-OD1 3.3Å; N718-N723 WeakPolarHBondContact CB-OD1 3.26Å; N718-N723 PolarHBondContact ND2-OD1 3.2Å; S719-N723 PolarHBondContact O-N 3.06Å; S719-N723 VanDerWaalsContact O-N 3.09Å; S719-N723 PolarHBondContact O-ND2 3.21Å; H721-N723 VanDerWaalsContact C-N 3.28Å; H721-N723 PolarHBondContact O-N 3.2Å; N723-V727 WeakPolarHBondContact O-CG2 3.42Å; N723-V727 PolarHBondContact O-N 2.89Å; N723-L767 HydrophobicContact CB-CD1 4.17Å
724H89.3Confident85.7Confident66 Ų6636.4 Ų36.431%0.30620%0.195SC..Hα-helixtrans-62.2-44.9172.2-178.784.6000111.9A720 H721 T722 I726 V727 K728 E766A720-H724 PolarHBondContact O-N 3.24Å; H721-H724 WeakPolarHBondContact O-CB 3.46Å; H721-H724 PolarHBondContact O-N 3.19Å; H721-H724 VanDerWaalsContact O-N 3.08Å; T722-H724 PolarHBondContact O-N 3.06Å; H724-I726 VanDerWaalsContact C-N 3.34Å; H724-I726 PolarHBondContact O-N 2.82Å; H724-V727 PolarHBondContact O-N 2.97Å; H724-K728 VanDerWaalsContact O-CB 3.31Å; H724-K728 WeakPolarHBondContact O-CB 3.5Å; H724-K728 PolarHBondContact O-N 3.38Å; H724-E766 IonicContact CE1-OE1 2.71Å; H724-E766 IonicContact CE1-OE2 3.24Å; H724-E766 IonicContact CG-OE2 3.12Å; H724-E766 IonicContact ND1-OE1 2.77Å; H724-E766 PolarHBondContact ND1-OE1 3.43Å; H724-E766 IonicContact ND1-OE2 3.37Å; H724-E766 PolarHBondContact ND1-OE2 3.06Å
725C89.8Confident86Confident0 Ų039.4 Ų39.40%021%0.206CC..Hα-helixtrans-60.2-42179.3-72.20000112.3V503 E504 H507 H721 T722 M729V503-C725 HydrophobicContact CG1-CB 4.18Å; E504-C725 HydrophobicContact CG-CB 4.49Å; H507-C725 HydrophobicContact CB-CB 4.03Å; H721-C725 PolarHBondContact NE2-SG 2.76Å; H721-C725 VanDerWaalsContact NE2-SG 3.4Å; H721-C725 PolarHBondContact O-N 2.91Å; H721-C725 PolarHBondContact O-SG 2.83Å; H721-C725 VanDerWaalsContact O-SG 3.4Å; T722-C725 PolarHBondContact O-N 3.03Å; C725-M729 PolarHBondContact O-N 3.34Å; C725-M729 VanDerWaalsContact O-N 3.15Å
726I89.9Confident86Confident0 Ų042.5 Ų42.50%022%0.223CC..Hα-helixtrans-60.3-55.6172.3-63.7163000110.6V503 Y708 L711 L712 T722 H724 K728 M729 L730V503-I726 HydrophobicContact CG1-CG1 4.08Å; Y708-I726 HydrophobicContact CD1-CB 4.44Å; Y708-I726 HydrophobicContact CD1-CG1 4.36Å; Y708-I726 HydrophobicContact CD1-CG2 4.28Å; L711-I726 HydrophobicContact CB-CD1 4.13Å; L711-I726 HydrophobicContact CD2-CD1 3.74Å; L711-I726 HydrophobicContact CD2-CG1 4Å; L711-I726 HydrophobicContact CG-CD1 3.81Å; L712-I726 HydrophobicContact CB-CG2 4.25Å; L712-I726 HydrophobicContact CD1-CG2 4.15Å; L712-I726 HydrophobicContact CD2-CG2 4.5Å; T722-I726 HydrophobicContact CG2-CD1 4.3Å; T722-I726 WeakPolarHBondContact O-CG1 3.04Å; T722-I726 PolarHBondContact O-N 3.21Å; H724-I726 VanDerWaalsContact C-N 3.34Å; H724-I726 PolarHBondContact O-N 2.82Å; I726-K728 VanDerWaalsContact C-N 3.3Å; I726-K728 PolarHBondContact O-N 3.18Å; I726-M729 PolarHBondContact O-N 2.89Å; I726-L730 HydrophobicContact CG2-CD1 3.82Å; I726-L730 HydrophobicContact CG2-CG 4.34Å; I726-L730 WeakPolarHBondContact O-CG 3.42Å; I726-L730 PolarHBondContact O-N 3.42Å
727V90.1Very high86.1Confident13 Ų1340 Ų408%0.07921%0.211CC..Hα-helixtrans-59.3-42.2-177.71720000111.2N723 H724 M729 L730 H731 L767 F770N723-V727 WeakPolarHBondContact O-CG2 3.42Å; N723-V727 PolarHBondContact O-N 2.89Å; H724-V727 PolarHBondContact O-N 2.97Å; V727-M729 VanDerWaalsContact C-N 3.34Å; V727-M729 PolarHBondContact O-N 3.29Å; V727-L730 PolarHBondContact O-N 3.37Å; V727-H731 WeakPolarHBondContact O-CB 3.48Å; V727-H731 PolarHBondContact O-N 2.94Å; V727-L767 HydrophobicContact CG2-CD2 3.29Å; V727-L767 HydrophobicContact CG2-CG 3.66Å; V727-F770 HydrophobicContact CG1-CB 4Å; V727-F770 HydrophobicContact CG1-CG 4.11Å
728K91.1Very high86.3Confident79 Ų7941 Ų4134%0.34321%0.214SC..Hα-helixtrans-67.1-34.3-178.4-16960.8173.9178.70112.3H724 I726 R732H724-K728 VanDerWaalsContact O-CB 3.31Å; H724-K728 WeakPolarHBondContact O-CB 3.5Å; H724-K728 PolarHBondContact O-N 3.38Å; I726-K728 VanDerWaalsContact C-N 3.3Å; I726-K728 PolarHBondContact O-N 3.18Å; K728-R732 WeakPolarHBondContact O-CG 2.91Å; K728-R732 PolarHBondContact O-N 3.27Å
729M89.6Confident86.3Confident3 Ų341.1 Ų41.12%0.01521%0.214CC..Hα-helixtrans-72.3-45.3173.6-17058.9-179.700112.1L510 L696 F699 Y708 C725 I726 V727 H731 R732 L733L510-M729 HydrophobicContact CD1-CE 3.95Å; L510-M729 HydrophobicContact CD1-SD 3.67Å; L696-M729 HydrophobicContact CD2-CE 4.22Å; F699-M729 HydrophobicContact CB-CE 3.44Å; F699-M729 VanDerWaalsContact CB-CE 3.44Å; F699-M729 HydrophobicContact CD1-CE 3.8Å; F699-M729 HydrophobicContact CD2-CE 4.18Å; F699-M729 HydrophobicContact CG-CE 3.54Å; Y708-M729 HydrophobicContact CD1-CB 4.23Å; Y708-M729 HydrophobicContact CE1-CB 3.59Å; Y708-M729 HydrophobicContact CE1-CG 3.81Å; Y708-M729 HydrophobicContact CE2-CG 4.24Å; C725-M729 PolarHBondContact O-N 3.34Å; C725-M729 VanDerWaalsContact O-N 3.15Å; I726-M729 PolarHBondContact O-N 2.89Å; V727-M729 VanDerWaalsContact C-N 3.34Å; V727-M729 PolarHBondContact O-N 3.29Å; M729-H731 PolarHBondContact O-N 3.07Å; M729-R732 WeakPolarHBondContact O-CB 3.46Å; M729-R732 PolarHBondContact O-N 3.07Å; M729-R732 VanDerWaalsContact O-N 3.13Å; M729-R732 HydrophobicContact SD-CB 4.5Å; M729-L733 HydrophobicContact CE-CD2 4.36Å; M729-L733 HydrophobicContact CE-CG 4.43Å; M729-L733 PolarHBondContact O-N 3.11Å
730L89.4Confident86.4Confident4 Ų439.6 Ų39.62%0.02120%0.2CC..Hα-helixtrans-62.7-33.5175.9-62.4179.1000111.8L712 I726 V727 A734 L743 F770L712-L730 HydrophobicContact CD2-CD1 4.3Å; I726-L730 HydrophobicContact CG2-CD1 3.82Å; I726-L730 HydrophobicContact CG2-CG 4.34Å; I726-L730 WeakPolarHBondContact O-CG 3.42Å; I726-L730 PolarHBondContact O-N 3.42Å; V727-L730 PolarHBondContact O-N 3.37Å; L730-A734 VanDerWaalsContact O-CB 3.25Å; L730-A734 WeakPolarHBondContact O-CB 3.28Å; L730-A734 PolarHBondContact O-N 3.39Å; L730-L743 HydrophobicContact CB-CD1 4.21Å; L730-L743 HydrophobicContact CD2-CD2 3.96Å; L730-F770 HydrophobicContact CB-CE1 3.77Å; L730-F770 HydrophobicContact CB-CE2 4.5Å; L730-F770 HydrophobicContact CB-CZ 3.57Å; L730-F770 HydrophobicContact CD1-CE1 4.2Å
731H89.6Confident86.3Confident59 Ų5935.3 Ų35.327%0.27317%0.165SC..Hα-helixtrans-66.9-44.2170.8-175.3-65.6000112.5V727 M729 L733 A734 H735 F770V727-H731 WeakPolarHBondContact O-CB 3.48Å; V727-H731 PolarHBondContact O-N 2.94Å; M729-H731 PolarHBondContact O-N 3.07Å; H731-L733 VanDerWaalsContact C-N 3.29Å; H731-L733 PolarHBondContact O-N 3.32Å; H731-A734 PolarHBondContact O-N 3.18Å; H731-H735 VanDerWaalsContact CE1-CB 3.46Å; H731-H735 WeakPolarHBondContact CE1-CB 3.46Å; H731-H735 AromaticContact CE1-CG 3.6Å; H731-H735 AromaticContact CE1-ND1 3.78Å; H731-H735 WeakPolarHBondContact O-CB 3.18Å; H731-H735 PolarHBondContact O-N 3.23Å; H731-F770 HydrophobicContact CB-CD2 4.46Å; H731-F770 HydrophobicContact CB-CE2 4.2Å
732R87Confident86.1Confident6 Ų630.8 Ų30.82%0.02314%0.144CC..Iπ-helixtrans-56.6-43.7174.6-80.6169.4169.5158.2-5.9111.3E514 K728 M729 D736 L737E514-R732 IonicContact OE2-CZ 3.88Å; E514-R732 IonicContact OE2-NE 3.36Å; E514-R732 IonicContact OE2-NH2 3.67Å; E514-R732 PolarHBondContact OE2-NH2 3.49Å; K728-R732 WeakPolarHBondContact O-CG 2.91Å; K728-R732 PolarHBondContact O-N 3.27Å; M729-R732 WeakPolarHBondContact O-CB 3.46Å; M729-R732 PolarHBondContact O-N 3.07Å; M729-R732 VanDerWaalsContact O-N 3.13Å; M729-R732 HydrophobicContact SD-CB 4.5Å; R732-D736 WeakPolarHBondContact CA-OD2 3.5Å; R732-D736 WeakPolarHBondContact CG-OD2 3.44Å; R732-D736 WeakPolarHBondContact O-CB 3.45Å; R732-D736 PolarHBondContact O-N 3.13Å; R732-L737 PolarHBondContact O-N 2.99Å
733L86.3Confident85.9Confident3 Ų331 Ų312%0.01615%0.145CC..Iπ-helixtrans-68.5-43.5176.6-64177.8000112.8F699 A700 V705 M729 H731 L737 M739F699-L733 HydrophobicContact CB-CD2 4.36Å; A700-L733 HydrophobicContact CB-CD2 4.14Å; V705-L733 HydrophobicContact CG2-CD1 4.07Å; M729-L733 HydrophobicContact CE-CD2 4.36Å; M729-L733 HydrophobicContact CE-CG 4.43Å; M729-L733 PolarHBondContact O-N 3.11Å; H731-L733 VanDerWaalsContact C-N 3.29Å; H731-L733 PolarHBondContact O-N 3.32Å; L733-L737 HydrophobicContact CD2-CD1 3.85Å; L733-M739 WeakPolarHBondContact O-CB 3.41Å; L733-M739 PolarHBondContact O-N 3.4Å; L733-M739 VanDerWaalsContact O-N 3.16Å
734A85Confident85.8Confident1 Ų130.8 Ų30.81%0.00814%0.144CC..Iπ-helixtrans-73.8-54-177.300000113L730 H731 K738 M739 E740 L743 F770 I774L730-A734 VanDerWaalsContact O-CB 3.25Å; L730-A734 WeakPolarHBondContact O-CB 3.28Å; L730-A734 PolarHBondContact O-N 3.39Å; H731-A734 PolarHBondContact O-N 3.18Å; A734-K738 CarbonylContact O-C 3.54Å; A734-K738 VanDerWaalsContact O-C 3.32Å; A734-K738 WeakPolarHBondContact O-CA 3.43Å; A734-K738 PolarHBondContact O-N 2.97Å; A734-M739 PolarHBondContact O-N 3.21Å; A734-E740 HydrophobicContact CB-CG 4.24Å; A734-E740 WeakPolarHBondContact O-CG 3.4Å; A734-L743 HydrophobicContact CB-CD1 4.18Å; A734-F770 HydrophobicContact CB-CE2 4.4Å; A734-I774 HydrophobicContact CB-CD1 3.8Å
735H86.1Confident85.6Confident93 Ų9328.3 Ų28.343%0.43113%0.133SC..Iπ-helixtrans-85.2-55.2-173.1179.3-91.7000112.2H731 K738H731-H735 VanDerWaalsContact CE1-CB 3.46Å; H731-H735 WeakPolarHBondContact CE1-CB 3.46Å; H731-H735 AromaticContact CE1-CG 3.6Å; H731-H735 AromaticContact CE1-ND1 3.78Å; H731-H735 WeakPolarHBondContact O-CB 3.18Å; H731-H735 PolarHBondContact O-N 3.23Å; H735-K738 PolarHBondContact O-N 3.13Å
736D81.9Confident85.4Confident68 Ų6832.5 Ų32.536%0.36415%0.154SC..Iπ-helixtrans-76.2-33.2-166.9-51-30000111.9R732R732-D736 WeakPolarHBondContact CA-OD2 3.5Å; R732-D736 WeakPolarHBondContact CG-OD2 3.44Å; R732-D736 WeakPolarHBondContact O-CB 3.45Å; R732-D736 PolarHBondContact O-N 3.13Å
737L80.1Confident85.1Confident23 Ų2334.1 Ų34.112%0.1217%0.166CC..SBendtrans-91-7.9169.1-58.4-175.6000114.2L693 L696 K697 A700 R732 L733 M739L693-L737 HydrophobicContact CB-CD2 4.33Å; L693-L737 HydrophobicContact CD2-CD2 4.27Å; L696-L737 HydrophobicContact CB-CD1 4.18Å; L696-L737 HydrophobicContact CB-CD2 4.14Å; L696-L737 HydrophobicContact CB-CG 4.44Å; K697-L737 HydrophobicContact CG-CD1 4.07Å; K697-L737 HydrophobicContact CG-CD2 3.97Å; A700-L737 HydrophobicContact CB-CD1 4.35Å; R732-L737 PolarHBondContact O-N 2.99Å; L733-L737 HydrophobicContact CD2-CD1 3.85Å; L737-M739 HydrophobicContact CB-CB 4.42Å; L737-M739 HydrophobicContact CB-CG 3.88Å; L737-M739 PolarHBondContact O-N 2.74Å
738K81.1Confident84.9Confident166 Ų16633.7 Ų33.772%0.72216%0.163SC*.  trans60.116.7-171.9-55.5-179.6-178.5177.60115.2A734 H735 E740A734-K738 CarbonylContact O-C 3.54Å; A734-K738 VanDerWaalsContact O-C 3.32Å; A734-K738 WeakPolarHBondContact O-CA 3.43Å; A734-K738 PolarHBondContact O-N 2.97Å; H735-K738 PolarHBondContact O-N 3.13Å; K738-E740 PolarHBondContact O-N 2.94Å
739M80.9Confident84.7Confident21 Ų2131.2 Ų31.210%0.10315%0.152CC..  trans-86.642.8-174-63.9-65.3-70.900113L733 A734 L737 A741 L742 T798 V801L733-M739 WeakPolarHBondContact O-CB 3.41Å; L733-M739 PolarHBondContact O-N 3.4Å; L733-M739 VanDerWaalsContact O-N 3.16Å; A734-M739 PolarHBondContact O-N 3.21Å; L737-M739 HydrophobicContact CB-CB 4.42Å; L737-M739 HydrophobicContact CB-CG 3.88Å; L737-M739 PolarHBondContact O-N 2.74Å; M739-A741 VanDerWaalsContact C-N 3.26Å; M739-A741 PolarHBondContact O-N 3.45Å; M739-L742 HydrophobicContact CB-CD1 3.81Å; M739-L742 HydrophobicContact CB-CG 4.27Å; M739-L742 HydrophobicContact CE-CD1 4.49Å; M739-L742 WeakPolarHBondContact O-CB 3.45Å; M739-L742 PolarHBondContact O-N 3.09Å; M739-L742 VanDerWaalsContact O-N 3.13Å; M739-T798 HydrophobicContact CE-CG2 3.57Å; M739-V801 HydrophobicContact CB-CG1 4.45Å; M739-V801 HydrophobicContact CE-CB 3.74Å; M739-V801 HydrophobicContact CE-CG1 3.42Å; M739-V801 VanDerWaalsContact CE-CG1 3.42Å; M739-V801 HydrophobicContact SD-CG1 3.92Å
740E81.8Confident84.5Confident27 Ų2734.7 Ų34.713%0.12618%0.176CC..G310 helixtrans-57-35.8-170.4-57.6-175.4150.300113.2A734 K738 L742 L743 F744 Y773 K777A734-E740 HydrophobicContact CB-CG 4.24Å; A734-E740 WeakPolarHBondContact O-CG 3.4Å; K738-E740 PolarHBondContact O-N 2.94Å; E740-L742 PolarHBondContact O-N 3.33Å; E740-L743 PolarHBondContact O-N 2.81Å; E740-L743 VanDerWaalsContact O-N 3.1Å; E740-F744 HydrophobicContact CB-CE1 4.42Å; E740-F744 HydrophobicContact CB-CZ 4.23Å; E740-Y773 VanDerWaalsContact OE1-CE1 3.25Å; E740-Y773 WeakPolarHBondContact OE1-CE1 3.39Å; E740-Y773 VanDerWaalsContact OE1-CZ 3.27Å; E740-Y773 PolarHBondContact OE1-OH 2.88Å; E740-K777 IonicContact OE1-NZ 3.74Å; E740-K777 PolarHBondContact OE1-NZ 3.49Å; E740-K777 WeakPolarHBondContact OE2-CB 3.12Å; E740-K777 WeakPolarHBondContact OE2-CD 3.49Å; E740-K777 VanDerWaalsContact OE2-CG 3.25Å; E740-K777 WeakPolarHBondContact OE2-CG 3.08Å; E740-K777 IonicContact OE2-NZ 2.84Å; E740-K777 PolarHBondContact OE2-NZ 3.03Å
741A80.9Confident84.2Confident0 Ų034.9 Ų34.90%018%0.177CC..G310 helixtrans-71.7-9.1-17700000114.8M739 L743 F744 K796 V801 M804M739-A741 VanDerWaalsContact C-N 3.26Å; M739-A741 PolarHBondContact O-N 3.45Å; A741-L743 PolarHBondContact O-N 2.79Å; A741-F744 HydrophobicContact CB-CD2 3.55Å; A741-F744 HydrophobicContact CB-CE2 3.81Å; A741-F744 HydrophobicContact CB-CG 4.19Å; A741-F744 PolarHBondContact O-N 3.5Å; A741-K796 WeakPolarHBondContact O-CD 3.21Å; A741-V801 HydrophobicContact CB-CG1 4.02Å; A741-V801 HydrophobicContact CB-CG2 4.19Å; A741-M804 HydrophobicContact CB-CB 4.46Å; A741-M804 HydrophobicContact CB-SD 4.19Å
742L82Confident84Confident7 Ų732.2 Ų32.24%0.03717%0.165CC..G310 helixtrans-60.6-27.7167.2-72.8174.2000112.1A700 M739 E740 K796 V801A700-L742 HydrophobicContact CB-CD1 3.92Å; M739-L742 HydrophobicContact CB-CD1 3.81Å; M739-L742 HydrophobicContact CB-CG 4.27Å; M739-L742 HydrophobicContact CE-CD1 4.49Å; M739-L742 WeakPolarHBondContact O-CB 3.45Å; M739-L742 PolarHBondContact O-N 3.09Å; M739-L742 VanDerWaalsContact O-N 3.13Å; E740-L742 PolarHBondContact O-N 3.33Å; L742-K796 WeakPolarHBondContact CD2-O 3.48Å; L742-V801 HydrophobicContact CD2-CG2 3.65Å; L742-V801 HydrophobicContact CG-CG2 3.87Å
743L83.1Confident83.9Confident4 Ų437 Ų372%0.02119%0.191CC..G310 helixtrans-97.3-1.8-177.9-53.4-177.8000112.9V705 L730 A734 E740 A741 Q745 F770 I774V705-L743 HydrophobicContact CG1-CD2 3.63Å; L730-L743 HydrophobicContact CB-CD1 4.21Å; L730-L743 HydrophobicContact CD2-CD2 3.96Å; A734-L743 HydrophobicContact CB-CD1 4.18Å; E740-L743 PolarHBondContact O-N 2.81Å; E740-L743 VanDerWaalsContact O-N 3.1Å; A741-L743 PolarHBondContact O-N 2.79Å; L743-Q745 VanDerWaalsContact C-N 3.3Å; L743-Q745 PolarHBondContact O-N 3.4Å; L743-F770 HydrophobicContact CD1-CE1 4.26Å; L743-F770 HydrophobicContact CD1-CZ 3.69Å; L743-I774 HydrophobicContact CB-CG2 4.32Å; L743-I774 HydrophobicContact CD1-CD1 3.89Å; L743-I774 HydrophobicContact CD1-CG1 4.41Å
744F86.4Confident83.7Confident3 Ų344.3 Ų44.31%0.01322%0.218CC..  trans-80.578.5175.2-62.5-7.8000109.5E740 A741 F749 I774 K777 F778 L781 L792 K796E740-F744 HydrophobicContact CB-CE1 4.42Å; E740-F744 HydrophobicContact CB-CZ 4.23Å; A741-F744 HydrophobicContact CB-CD2 3.55Å; A741-F744 HydrophobicContact CB-CE2 3.81Å; A741-F744 HydrophobicContact CB-CG 4.19Å; A741-F744 PolarHBondContact O-N 3.5Å; F744-F749 HydrophobicContact CB-CZ 4.22Å; F744-F749 HydrophobicContact CD1-CE1 4.42Å; F744-F749 HydrophobicContact CD1-CZ 4.08Å; F744-F749 HydrophobicContact CG-CZ 4.38Å; F744-I774 HydrophobicContact CD1-CG2 4.13Å; F744-I774 HydrophobicContact CE1-CG2 4.06Å; F744-K777 HydrophobicContact CZ-CB 4.21Å; F744-F778 HydrophobicContact CB-CD2 4.19Å; F744-F778 HydrophobicContact CD1-CB 3.98Å; F744-F778 HydrophobicContact CD1-CD2 4.24Å; F744-F778 AromaticContact CD2-CD2 3.75Å; F744-F778 HydrophobicContact CD2-CD2 3.75Å; F744-F778 HydrophobicContact CE1-CB 3.78Å; F744-F778 HydrophobicContact CE2-CB 4.38Å; F744-F778 HydrophobicContact CE2-CD2 4.18Å; F744-F778 HydrophobicContact CG-CB 4.38Å; F744-F778 AromaticContact CG-CD2 3.8Å; F744-F778 HydrophobicContact CG-CD2 3.8Å; F744-F778 HydrophobicContact CZ-CB 4.01Å; F744-L781 HydrophobicContact CE2-CB 4.19Å; F744-L781 HydrophobicContact CE2-CD1 4.19Å; F744-L781 HydrophobicContact CE2-CD2 4.28Å; F744-L781 HydrophobicContact CE2-CG 4.45Å; F744-L792 HydrophobicContact CB-CD2 3.99Å; F744-L792 WeakPolarHBondContact O-CD2 3.14Å; F744-K796 PolarHBondContact O-NZ 3.14Å
745Q86.4Confident83.5Confident15 Ų1544.3 Ų44.37%0.0722%0.218CC..  trans-137.6142.6176.4-156.7-138.724.600110.7L743 S747 V748 F749 L792 W795L743-Q745 VanDerWaalsContact C-N 3.3Å; L743-Q745 PolarHBondContact O-N 3.4Å; Q745-S747 VanDerWaalsContact C-N 3.27Å; Q745-S747 PolarHBondContact O-N 2.94Å; Q745-S747 PolarHBondContact OE1-OG 3.14Å; Q745-V748 HydrophobicContact CB-CG2 4.29Å; Q745-V748 WeakPolarHBondContact O-CB 3.44Å; Q745-V748 PolarHBondContact O-N 3.37Å; Q745-V748 VanDerWaalsContact O-N 3.08Å; Q745-F749 PolarHBondContact O-N 3.08Å; Q745-F749 VanDerWaalsContact O-N 3.08Å; Q745-L792 WeakPolarHBondContact CA-O 3.41Å; Q745-L792 WeakPolarHBondContact CG-O 3.43Å; Q745-W795 VanDerWaalsContact OE1-CZ2 3.26Å
746L84.6Confident83.2Confident87 Ų8742.8 Ų42.846%0.45521%0.213SC..Hα-helixtrans-57-37.3-176.4-172.364000112.9V748 F749 C750 L792 L793L746-V748 VanDerWaalsContact C-N 3.32Å; L746-V748 PolarHBondContact O-N 3.01Å; L746-F749 PolarHBondContact O-N 2.85Å; L746-C750 PolarHBondContact O-N 3.18Å; L746-C750 PolarHBondContact O-SG 2.97Å; L746-L792 PolarHBondContact N-O 2.93Å; L746-L793 HydrophobicContact CD2-CD2 4.39Å
747S83.7Confident82.9Confident35 Ų3543.7 Ų43.725%0.24522%0.224CC..Hα-helixtrans-67.5-32.3-18092.50000113Q745 L751Q745-S747 VanDerWaalsContact C-N 3.27Å; Q745-S747 PolarHBondContact O-N 2.94Å; Q745-S747 PolarHBondContact OE1-OG 3.14Å; S747-L751 PolarHBondContact O-N 3.06Å
748V86.3Confident82.7Confident4 Ų443.7 Ų43.72%0.02423%0.225CC..Hα-helixtrans-72.8-40.8174.4-177.80000110.5V709 Q745 L746 L751 F752V709-V748 HydrophobicContact CG1-CG2 4.08Å; V709-V748 HydrophobicContact CG2-CG2 3.83Å; Q745-V748 HydrophobicContact CB-CG2 4.29Å; Q745-V748 WeakPolarHBondContact O-CB 3.44Å; Q745-V748 PolarHBondContact O-N 3.37Å; Q745-V748 VanDerWaalsContact O-N 3.08Å; L746-V748 VanDerWaalsContact C-N 3.32Å; L746-V748 PolarHBondContact O-N 3.01Å; V748-L751 WeakPolarHBondContact O-CB 3.44Å; V748-L751 PolarHBondContact O-N 3.23Å; V748-F752 HydrophobicContact CG1-CD2 4.22Å; V748-F752 HydrophobicContact CG1-CE1 4.06Å; V748-F752 HydrophobicContact CG1-CE2 3.67Å; V748-F752 HydrophobicContact CG1-CZ 3.58Å; V748-F752 WeakPolarHBondContact O-CG 3.45Å; V748-F752 PolarHBondContact O-N 2.84Å
749F87.3Confident81.9Confident26 Ų2639.5 Ų39.511%0.11422%0.215CC..Hα-helixtrans-68-36177.6-67.2-2000112.5F744 Q745 L746 L751 F752 N753 I774 L775 F778 L792F744-F749 HydrophobicContact CB-CZ 4.22Å; F744-F749 HydrophobicContact CD1-CE1 4.42Å; F744-F749 HydrophobicContact CD1-CZ 4.08Å; F744-F749 HydrophobicContact CG-CZ 4.38Å; Q745-F749 PolarHBondContact O-N 3.08Å; Q745-F749 VanDerWaalsContact O-N 3.08Å; L746-F749 PolarHBondContact O-N 2.85Å; F749-L751 VanDerWaalsContact C-N 3.3Å; F749-L751 PolarHBondContact O-N 3.08Å; F749-F752 HydrophobicContact CD1-CD2 4.21Å; F749-F752 PolarHBondContact O-N 3.33Å; F749-N753 WeakPolarHBondContact O-CB 3.25Å; F749-N753 PolarHBondContact O-N 3.2Å; F749-I774 HydrophobicContact CE1-CG2 4.2Å; F749-L775 HydrophobicContact CD1-CD2 4.08Å; F749-L775 HydrophobicContact CD2-CD2 4.46Å; F749-L775 HydrophobicContact CE1-CD2 4.23Å; F749-L775 HydrophobicContact CG-CD2 4.21Å; F749-L775 HydrophobicContact CZ-CD2 4.47Å; F749-F778 HydrophobicContact CE2-CB 4.36Å; F749-F778 AromaticContact CE2-CD1 3.71Å; F749-F778 HydrophobicContact CE2-CD1 3.71Å; F749-F778 AromaticContact CE2-CD2 3.96Å; F749-F778 HydrophobicContact CE2-CD2 3.96Å; F749-F778 AromaticContact CE2-CE1 4Å; F749-F778 HydrophobicContact CE2-CE1 4Å; F749-F778 HydrophobicContact CE2-CE2 4.24Å; F749-F778 AromaticContact CE2-CG 3.69Å; F749-F778 HydrophobicContact CE2-CG 3.69Å; F749-F778 HydrophobicContact CE2-CZ 4.26Å; F749-F778 HydrophobicContact CZ-CB 3.82Å; F749-F778 HydrophobicContact CZ-CD1 4.06Å; F749-F778 AromaticContact CZ-CD2 3.89Å; F749-F778 HydrophobicContact CZ-CD2 3.89Å; F749-F778 AromaticContact CZ-CG 3.61Å; F749-F778 HydrophobicContact CZ-CG 3.61Å; F749-L792 HydrophobicContact CD2-CD1 4.26Å; F749-L792 HydrophobicContact CD2-CD2 4.2Å; F749-L792 HydrophobicContact CE2-CD1 4.07Å; F749-L792 HydrophobicContact CE2-CD2 3.53Å; F749-L792 HydrophobicContact CE2-CG 4.48Å; F749-L792 HydrophobicContact CZ-CD2 4.07Å
750C83.9Confident81.2Confident76 Ų7640.1 Ų40.151%0.51422%0.223SC..Hα-helixtrans-62.4-36170.7-72.30000112.5L746 R754L746-C750 PolarHBondContact O-N 3.18Å; L746-C750 PolarHBondContact O-SG 2.97Å; C750-R754 PolarHBondContact O-N 3.42Å; C750-R754 VanDerWaalsContact O-N 3.1Å
751L83.5Confident80.4Confident9 Ų939.9 Ų39.95%0.04723%0.225CC..Hα-helixtrans-66.9-49173.5-168.2165.8000110.8L712 R713 Y715 S747 V748 F749 N753 R754 L755L712-L751 HydrophobicContact CB-CD1 4.12Å; L712-L751 HydrophobicContact CD2-CD1 4.11Å; L712-L751 HydrophobicContact CD2-CD2 4.05Å; L712-L751 HydrophobicContact CG-CD1 3.85Å; L712-L751 HydrophobicContact CG-CD2 3.92Å; R713-L751 HydrophobicContact CB-CD1 4.47Å; R713-L751 HydrophobicContact CG-CD1 3.92Å; Y715-L751 HydrophobicContact CD1-CD2 4.47Å; S747-L751 PolarHBondContact O-N 3.06Å; V748-L751 WeakPolarHBondContact O-CB 3.44Å; V748-L751 PolarHBondContact O-N 3.23Å; F749-L751 VanDerWaalsContact C-N 3.3Å; F749-L751 PolarHBondContact O-N 3.08Å; L751-N753 VanDerWaalsContact C-N 3.32Å; L751-N753 PolarHBondContact O-N 3.39Å; L751-R754 WeakPolarHBondContact O-CB 3.47Å; L751-R754 PolarHBondContact O-N 3.09Å; L751-R754 VanDerWaalsContact O-N 3.16Å; L751-L755 WeakPolarHBondContact O-CB 3.37Å; L751-L755 PolarHBondContact O-N 3.19Å
752F86.5Confident79.6Confident2 Ų242.6 Ų42.61%0.00925%0.254CS..Hα-helixtrans-59.8-39.8176.3-67.3-18.6000112.4V748 F749 L755 L756 F770 A771 I774 L775V748-F752 HydrophobicContact CG1-CD2 4.22Å; V748-F752 HydrophobicContact CG1-CE1 4.06Å; V748-F752 HydrophobicContact CG1-CE2 3.67Å; V748-F752 HydrophobicContact CG1-CZ 3.58Å; V748-F752 WeakPolarHBondContact O-CG 3.45Å; V748-F752 PolarHBondContact O-N 2.84Å; F749-F752 HydrophobicContact CD1-CD2 4.21Å; F749-F752 PolarHBondContact O-N 3.33Å; F752-L755 PolarHBondContact O-N 3.04Å; F752-L756 WeakPolarHBondContact O-CB 3.12Å; F752-L756 VanDerWaalsContact O-CG 3.24Å; F752-L756 WeakPolarHBondContact O-CG 3.13Å; F752-L756 PolarHBondContact O-N 3.1Å; F752-F770 HydrophobicContact CZ-CD1 4.33Å; F752-F770 HydrophobicContact CZ-CE1 4.22Å; F752-A771 HydrophobicContact CB-CB 4.03Å; F752-A771 HydrophobicContact CD1-CB 3.75Å; F752-A771 HydrophobicContact CD2-CB 4.08Å; F752-A771 HydrophobicContact CE1-CB 4.19Å; F752-A771 HydrophobicContact CE2-CB 4.48Å; F752-A771 HydrophobicContact CG-CB 3.7Å; F752-I774 HydrophobicContact CE2-CB 3.98Å; F752-I774 HydrophobicContact CE2-CG1 4.46Å; F752-I774 HydrophobicContact CE2-CG2 3.91Å; F752-L775 HydrophobicContact CD2-CG 4.43Å
753N84.6Confident78.9Confident107 Ų10746 Ų4657%0.57228%0.283SS*.Hα-helixtrans-63.9-41.4175.3-171.535.2000112F749 L751 L756 S757F749-N753 WeakPolarHBondContact O-CB 3.25Å; F749-N753 PolarHBondContact O-N 3.2Å; L751-N753 VanDerWaalsContact C-N 3.32Å; L751-N753 PolarHBondContact O-N 3.39Å; N753-L756 PolarHBondContact O-N 3.18Å; N753-S757 VanDerWaalsContact O-CB 3.28Å; N753-S757 WeakPolarHBondContact O-CB 3.42Å; N753-S757 PolarHBondContact O-N 3.14Å; N753-S757 PolarHBondContact O-OG 2.87Å
754R81.3Confident78.5Confident156 Ų15648.1 Ų48.159%0.58929%0.291SS*.Hα-helixtrans-60.3-46.7173.1-173.7-174.3-63.1173.6-1.1111.3C750 L751 S757 D758C750-R754 PolarHBondContact O-N 3.42Å; C750-R754 VanDerWaalsContact O-N 3.1Å; L751-R754 WeakPolarHBondContact O-CB 3.47Å; L751-R754 PolarHBondContact O-N 3.09Å; L751-R754 VanDerWaalsContact O-N 3.16Å; R754-S757 CarbonylContact O-C 3.59Å; R754-S757 PolarHBondContact O-N 3.12Å; R754-D758 PolarHBondContact O-N 3.44Å; R754-D758 VanDerWaalsContact O-N 3.1Å
755L81.9Confident78.3Confident1 Ų155.2 Ų55.21%0.00532%0.322CS..Hα-helixtrans-67.5-36.3-178.9-175145.9000112.9Y715 L751 F752 S757 D758 L767 V768Y715-L755 HydrophobicContact CD1-CD1 4.18Å; Y715-L755 HydrophobicContact CD2-CD1 4Å; Y715-L755 HydrophobicContact CE1-CB 4.27Å; Y715-L755 HydrophobicContact CE1-CD1 4.25Å; Y715-L755 HydrophobicContact CE2-CD1 4.06Å; Y715-L755 HydrophobicContact CE2-CG 4.23Å; Y715-L755 HydrophobicContact CG-CD1 4.06Å; L751-L755 WeakPolarHBondContact O-CB 3.37Å; L751-L755 PolarHBondContact O-N 3.19Å; F752-L755 PolarHBondContact O-N 3.04Å; L755-S757 VanDerWaalsContact C-N 3.3Å; L755-D758 PolarHBondContact O-N 3.09Å; L755-L767 HydrophobicContact CD1-CB 3.8Å; L755-L767 HydrophobicContact CD1-CD1 4.03Å; L755-L767 HydrophobicContact CD1-CD2 4.22Å; L755-L767 HydrophobicContact CD1-CG 4.25Å; L755-L767 HydrophobicContact CD2-CB 4.1Å; L755-V768 HydrophobicContact CD2-CG2 3.7Å
756L79.9Confident78.2Confident62 Ų6259.1 Ų59.133%0.32534%0.34SS..Hα-helixtrans-75.1-18.9174.1-69.2169.4000113.1F752 N753 V768 L775F752-L756 WeakPolarHBondContact O-CB 3.12Å; F752-L756 VanDerWaalsContact O-CG 3.24Å; F752-L756 WeakPolarHBondContact O-CG 3.13Å; F752-L756 PolarHBondContact O-N 3.1Å; N753-L756 PolarHBondContact O-N 3.18Å; L756-V768 HydrophobicContact CD2-CG1 3.94Å; L756-V768 HydrophobicContact CD2-CG2 4.42Å; L756-L775 HydrophobicContact CD1-CD1 4.06Å
757S75.6Confident78.2Confident86 Ų8655.3 Ų55.360%0.60132%0.32SS*.THydrogen-bonded Turntrans-94.3-4.8175.4-56.40000113.5N753 R754 L755N753-S757 VanDerWaalsContact O-CB 3.28Å; N753-S757 WeakPolarHBondContact O-CB 3.42Å; N753-S757 PolarHBondContact O-N 3.14Å; N753-S757 PolarHBondContact O-OG 2.87Å; R754-S757 CarbonylContact O-C 3.59Å; R754-S757 PolarHBondContact O-N 3.12Å; L755-S757 VanDerWaalsContact C-N 3.3Å
758D75.1Confident78.3Confident24 Ų2454.5 Ų54.513%0.12831%0.314CS..  trans-75.8127.4-178.3-167.1-36.8000110.3Y715 Q716 R754 L755 A760 A761Y715-D758 PolarHBondContact OH-OD2 2.95Å; Q716-D758 PolarHBondContact NE2-OD2 3.24Å; R754-D758 PolarHBondContact O-N 3.44Å; R754-D758 VanDerWaalsContact O-N 3.1Å; L755-D758 PolarHBondContact O-N 3.09Å; D758-A760 PolarHBondContact O-N 3.48Å; D758-A760 VanDerWaalsContact O-N 3.15Å; D758-A760 VanDerWaalsContact OD1-CB 3.32Å; D758-A760 WeakPolarHBondContact OD1-CB 3.26Å; D758-A760 PolarHBondContact OD1-N 3.15Å; D758-A761 WeakPolarHBondContact O-CB 3.46Å; D758-A761 PolarHBondContact O-N 3.14Å
759P64.3Low78.5Confident78 Ų7858.9 Ų58.951%0.50634%0.34SS..G310 helixtrans-59.6-22.5174.826.4-36000113.4A262 T266 A761A262-P759 HydrophobicContact CB-CB 4.11Å; A262-P759 HydrophobicContact CB-CG 4.12Å; T266-P759 HydrophobicContact CG2-CG 4.13Å; P759-A761 VanDerWaalsContact C-N 3.32Å
760A66.4Low78.5Confident33 Ų3358 Ų5827%0.27334%0.337SS..G310 helixtrans-84.75.1175.100000114.1D758 G762 A763 Y764D758-A760 PolarHBondContact O-N 3.48Å; D758-A760 VanDerWaalsContact O-N 3.15Å; D758-A760 VanDerWaalsContact OD1-CB 3.32Å; D758-A760 WeakPolarHBondContact OD1-CB 3.26Å; D758-A760 PolarHBondContact OD1-N 3.15Å; A760-G762 PolarHBondContact O-N 2.65Å; A760-A763 WeakPolarHBondContact O-CB 3.36Å; A760-A763 PolarHBondContact O-N 2.9Å; A760-Y764 HydrophobicContact CB-CE2 4.26Å
761A64.4Low78.8Confident22 Ų2254.4 Ų54.418%0.18231%0.312CS..G310 helixtrans-54.5-21.7179.500000114.5D758 P759 A763 Y764 V768D758-A761 WeakPolarHBondContact O-CB 3.46Å; D758-A761 PolarHBondContact O-N 3.14Å; P759-A761 VanDerWaalsContact C-N 3.32Å; A761-A763 VanDerWaalsContact C-N 3.29Å; A761-A763 PolarHBondContact O-N 3.03Å; A761-Y764 PolarHBondContact O-N 2.92Å; A761-V768 HydrophobicContact CB-CG2 4.1Å
762G64.1Low79Confident58 Ų5860.1 Ų60.160%0.59834%0.337SS*.G310 helixtrans-65.8-23.3173.100000115.1A760 K765A760-G762 PolarHBondContact O-N 2.65Å; G762-K765 WeakPolarHBondContact O-CE 3.13Å; G762-K765 WeakPolarHBondContact O-CG 3.4Å
763A67.6Low79.2Confident79 Ų7963.7 Ų63.765%0.65335%0.351SS*.THydrogen-bonded Turntrans-78.1-42.3171.800000111.2A760 A761 K765A760-A763 WeakPolarHBondContact O-CB 3.36Å; A760-A763 PolarHBondContact O-N 2.9Å; A761-A763 VanDerWaalsContact C-N 3.29Å; A761-A763 PolarHBondContact O-N 3.03Å; A763-K765 PolarHBondContact O-N 3.08Å
764Y75.8Confident79.5Confident48 Ų4858.6 Ų58.619%0.18832%0.323CS..  trans-84.845.7-173.2-58-65.4000113.8Y715 A760 A761 E766 L767 V768Y715-Y764 HydrophobicContact CD2-CD2 4.19Å; Y715-Y764 HydrophobicContact CD2-CE1 4.34Å; Y715-Y764 AromaticContact CD2-CE2 3.92Å; Y715-Y764 HydrophobicContact CD2-CE2 3.92Å; Y715-Y764 HydrophobicContact CE2-CD2 4.17Å; Y715-Y764 AromaticContact CE2-CE2 3.94Å; Y715-Y764 HydrophobicContact CE2-CE2 3.94Å; A760-Y764 HydrophobicContact CB-CE2 4.26Å; A761-Y764 PolarHBondContact O-N 2.92Å; Y764-E766 PolarHBondContact O-N 3.17Å; Y764-L767 HydrophobicContact CD1-CD1 3.99Å; Y764-L767 HydrophobicContact CG-CD1 4.31Å; Y764-L767 WeakPolarHBondContact O-CB 3.1Å; Y764-L767 PolarHBondContact O-N 3.36Å; Y764-L767 VanDerWaalsContact O-N 3.12Å; Y764-V768 WeakPolarHBondContact O-CG2 3.5Å; Y764-V768 PolarHBondContact O-N 3.03Å
765K82.1Confident79.8Confident151 Ų15152.9 Ų52.966%0.65730%0.304SS*.Hα-helixtrans-54.1-44.7-170.5-63.6178.6-175.8169.40113.8G762 A763 V768 T769G762-K765 WeakPolarHBondContact O-CE 3.13Å; G762-K765 WeakPolarHBondContact O-CG 3.4Å; A763-K765 PolarHBondContact O-N 3.08Å; K765-V768 PolarHBondContact O-N 2.93Å; K765-T769 PolarHBondContact O-N 3.05Å; K765-T769 PolarHBondContact O-OG1 2.9Å
766E84.2Confident80.1Confident98 Ų9854.8 Ų54.846%0.45833%0.325SS..Hα-helixtrans-66.7-39179.8-59.4-170.8149.700112.9H724 Y764 T769 F770H724-E766 IonicContact CE1-OE1 2.71Å; H724-E766 IonicContact CE1-OE2 3.24Å; H724-E766 IonicContact CG-OE2 3.12Å; H724-E766 IonicContact ND1-OE1 2.77Å; H724-E766 PolarHBondContact ND1-OE1 3.43Å; H724-E766 IonicContact ND1-OE2 3.37Å; H724-E766 PolarHBondContact ND1-OE2 3.06Å; Y764-E766 PolarHBondContact O-N 3.17Å; E766-T769 PolarHBondContact O-N 2.76Å; E766-T769 PolarHBondContact O-OG1 2.85Å; E766-F770 VanDerWaalsContact O-CB 3.3Å; E766-F770 WeakPolarHBondContact O-CB 3.48Å; E766-F770 PolarHBondContact O-N 2.92Å
767L84.8Confident80.4Confident6 Ų655.4 Ų55.43%0.03133%0.325CS..Hα-helixtrans-65.4-40.6174.7-80159.8000111.1L712 N723 V727 L755 Y764 F770 A771L712-L767 HydrophobicContact CD1-CD2 3.6Å; N723-L767 HydrophobicContact CB-CD1 4.17Å; V727-L767 HydrophobicContact CG2-CD2 3.29Å; V727-L767 HydrophobicContact CG2-CG 3.66Å; L755-L767 HydrophobicContact CD1-CB 3.8Å; L755-L767 HydrophobicContact CD1-CD1 4.03Å; L755-L767 HydrophobicContact CD1-CD2 4.22Å; L755-L767 HydrophobicContact CD1-CG 4.25Å; L755-L767 HydrophobicContact CD2-CB 4.1Å; Y764-L767 HydrophobicContact CD1-CD1 3.99Å; Y764-L767 HydrophobicContact CG-CD1 4.31Å; Y764-L767 WeakPolarHBondContact O-CB 3.1Å; Y764-L767 PolarHBondContact O-N 3.36Å; Y764-L767 VanDerWaalsContact O-N 3.12Å; L767-F770 PolarHBondContact O-N 2.9Å; L767-A771 VanDerWaalsContact O-CB 3.26Å; L767-A771 WeakPolarHBondContact O-CB 3.33Å; L767-A771 PolarHBondContact O-N 3.45Å
768V85.6Confident81Confident19 Ų1951.6 Ų51.612%0.11530%0.297CS..Hα-helixtrans-66-40.4177.1170.60000111.8L755 L756 A761 Y764 K765 K772L755-V768 HydrophobicContact CD2-CG2 3.7Å; L756-V768 HydrophobicContact CD2-CG1 3.94Å; L756-V768 HydrophobicContact CD2-CG2 4.42Å; A761-V768 HydrophobicContact CB-CG2 4.1Å; Y764-V768 WeakPolarHBondContact O-CG2 3.5Å; Y764-V768 PolarHBondContact O-N 3.03Å; K765-V768 PolarHBondContact O-N 2.93Å; V768-K772 HydrophobicContact CG1-CD 4.19Å; V768-K772 WeakPolarHBondContact O-CB 3.42Å; V768-K772 WeakPolarHBondContact O-CD 3.34Å; V768-K772 VanDerWaalsContact O-CG 3.26Å; V768-K772 WeakPolarHBondContact O-CG 3.38Å; V768-K772 PolarHBondContact O-N 3.1Å
769T88.9Confident81.7Confident95 Ų9556.4 Ų56.458%0.58332%0.317SS*.Hα-helixtrans-70.6-4117652.80000111.7K765 E766 K772 Y773K765-T769 PolarHBondContact O-N 3.05Å; K765-T769 PolarHBondContact O-OG1 2.9Å; E766-T769 PolarHBondContact O-N 2.76Å; E766-T769 PolarHBondContact O-OG1 2.85Å; T769-K772 PolarHBondContact O-N 2.87Å; T769-Y773 PolarHBondContact O-N 2.86Å
770F89.1Confident82.7Confident9 Ų955.6 Ų55.64%0.03932%0.317CS..Hα-helixtrans-63.5-45.3176-176.7-110.3000112.6V727 L730 H731 A734 L743 F752 E766 L767 K772 Y773 I774V727-F770 HydrophobicContact CG1-CB 4Å; V727-F770 HydrophobicContact CG1-CG 4.11Å; L730-F770 HydrophobicContact CB-CE1 3.77Å; L730-F770 HydrophobicContact CB-CE2 4.5Å; L730-F770 HydrophobicContact CB-CZ 3.57Å; L730-F770 HydrophobicContact CD1-CE1 4.2Å; H731-F770 HydrophobicContact CB-CD2 4.46Å; H731-F770 HydrophobicContact CB-CE2 4.2Å; A734-F770 HydrophobicContact CB-CE2 4.4Å; L743-F770 HydrophobicContact CD1-CE1 4.26Å; L743-F770 HydrophobicContact CD1-CZ 3.69Å; F752-F770 HydrophobicContact CZ-CD1 4.33Å; F752-F770 HydrophobicContact CZ-CE1 4.22Å; E766-F770 VanDerWaalsContact O-CB 3.3Å; E766-F770 WeakPolarHBondContact O-CB 3.48Å; E766-F770 PolarHBondContact O-N 2.92Å; L767-F770 PolarHBondContact O-N 2.9Å; F770-K772 VanDerWaalsContact C-N 3.33Å; F770-K772 PolarHBondContact O-N 3.23Å; F770-Y773 WeakPolarHBondContact O-CB 3.42Å; F770-Y773 PolarHBondContact O-N 3.16Å; F770-I774 HydrophobicContact CD1-CG1 4.41Å; F770-I774 HydrophobicContact CD2-CG1 4.38Å; F770-I774 HydrophobicContact CE1-CG1 3.95Å; F770-I774 HydrophobicContact CE2-CD1 3.95Å; F770-I774 HydrophobicContact CE2-CG1 3.91Å; F770-I774 HydrophobicContact CZ-CD1 3.83Å; F770-I774 HydrophobicContact CZ-CG1 3.67Å; F770-I774 WeakPolarHBondContact O-CG1 3.34Å; F770-I774 PolarHBondContact O-N 2.93Å
771A88.4Confident83.6Confident0 Ų055.4 Ų55.40%031%0.311CS..Hα-helixtrans-58.6-43.6175.300000111.9F752 L767 I774 L775F752-A771 HydrophobicContact CB-CB 4.03Å; F752-A771 HydrophobicContact CD1-CB 3.75Å; F752-A771 HydrophobicContact CD2-CB 4.08Å; F752-A771 HydrophobicContact CE1-CB 4.19Å; F752-A771 HydrophobicContact CE2-CB 4.48Å; F752-A771 HydrophobicContact CG-CB 3.7Å; L767-A771 VanDerWaalsContact O-CB 3.26Å; L767-A771 WeakPolarHBondContact O-CB 3.33Å; L767-A771 PolarHBondContact O-N 3.45Å; A771-I774 PolarHBondContact O-N 3.41Å; A771-L775 WeakPolarHBondContact O-CB 3.38Å; A771-L775 VanDerWaalsContact O-CG 3.26Å; A771-L775 WeakPolarHBondContact O-CG 3.49Å; A771-L775 PolarHBondContact O-N 2.92Å
772K89.2Confident84.5Confident128 Ų12854.8 Ų54.856%0.55731%0.306SS*.Hα-helixtrans-64.5-38.4175.7-74171.8-179177.20112.5V768 T769 F770 G776V768-K772 HydrophobicContact CG1-CD 4.19Å; V768-K772 WeakPolarHBondContact O-CB 3.42Å; V768-K772 WeakPolarHBondContact O-CD 3.34Å; V768-K772 VanDerWaalsContact O-CG 3.26Å; V768-K772 WeakPolarHBondContact O-CG 3.38Å; V768-K772 PolarHBondContact O-N 3.1Å; T769-K772 PolarHBondContact O-N 2.87Å; F770-K772 VanDerWaalsContact C-N 3.33Å; F770-K772 PolarHBondContact O-N 3.23Å; K772-G776 PolarHBondContact O-N 3.08Å
773Y90.6Very high85.6Confident77 Ų7756.2 Ų56.230%0.30231%0.313SS..Hα-helixtrans-61-53.9174.8179.1-89.5000111.4E740 T769 F770 L775 G776 K777E740-Y773 VanDerWaalsContact OE1-CE1 3.25Å; E740-Y773 WeakPolarHBondContact OE1-CE1 3.39Å; E740-Y773 VanDerWaalsContact OE1-CZ 3.27Å; E740-Y773 PolarHBondContact OE1-OH 2.88Å; T769-Y773 PolarHBondContact O-N 2.86Å; F770-Y773 WeakPolarHBondContact O-CB 3.42Å; F770-Y773 PolarHBondContact O-N 3.16Å; Y773-L775 PolarHBondContact O-N 3.06Å; Y773-G776 PolarHBondContact O-N 3.45Å; Y773-K777 HydrophobicContact CD1-CG 4.4Å; Y773-K777 HydrophobicContact CE1-CG 4Å; Y773-K777 WeakPolarHBondContact O-CG 3.32Å; Y773-K777 PolarHBondContact O-N 2.91Å; Y773-K777 WeakPolarHBondContact OH-CE 3.43Å; Y773-K777 PolarHBondContact OH-NZ 3.22Å
774I89.3Confident86.3Confident0 Ų058.8 Ų58.80%032%0.32CS..Hα-helixtrans-61.8-42.5-179-62.9-63.3000111.6A734 L743 F744 F749 F752 F770 A771 K777 F778A734-I774 HydrophobicContact CB-CD1 3.8Å; L743-I774 HydrophobicContact CB-CG2 4.32Å; L743-I774 HydrophobicContact CD1-CD1 3.89Å; L743-I774 HydrophobicContact CD1-CG1 4.41Å; F744-I774 HydrophobicContact CD1-CG2 4.13Å; F744-I774 HydrophobicContact CE1-CG2 4.06Å; F749-I774 HydrophobicContact CE1-CG2 4.2Å; F752-I774 HydrophobicContact CE2-CB 3.98Å; F752-I774 HydrophobicContact CE2-CG1 4.46Å; F752-I774 HydrophobicContact CE2-CG2 3.91Å; F770-I774 HydrophobicContact CD1-CG1 4.41Å; F770-I774 HydrophobicContact CD2-CG1 4.38Å; F770-I774 HydrophobicContact CE1-CG1 3.95Å; F770-I774 HydrophobicContact CE2-CD1 3.95Å; F770-I774 HydrophobicContact CE2-CG1 3.91Å; F770-I774 HydrophobicContact CZ-CD1 3.83Å; F770-I774 HydrophobicContact CZ-CG1 3.67Å; F770-I774 WeakPolarHBondContact O-CG1 3.34Å; F770-I774 PolarHBondContact O-N 2.93Å; A771-I774 PolarHBondContact O-N 3.41Å; I774-K777 PolarHBondContact O-N 3.33Å; I774-F778 PolarHBondContact O-N 2.88Å
775L88.4Confident86.5Confident36 Ų3657.7 Ų57.719%0.18832%0.317CS..Hα-helixtrans-64.9-42.4176.8-71.2170.1000112.1F749 F752 L756 A771 Y773 K777 F778 F779F749-L775 HydrophobicContact CD1-CD2 4.08Å; F749-L775 HydrophobicContact CD2-CD2 4.46Å; F749-L775 HydrophobicContact CE1-CD2 4.23Å; F749-L775 HydrophobicContact CG-CD2 4.21Å; F749-L775 HydrophobicContact CZ-CD2 4.47Å; F752-L775 HydrophobicContact CD2-CG 4.43Å; L756-L775 HydrophobicContact CD1-CD1 4.06Å; A771-L775 WeakPolarHBondContact O-CB 3.38Å; A771-L775 VanDerWaalsContact O-CG 3.26Å; A771-L775 WeakPolarHBondContact O-CG 3.49Å; A771-L775 PolarHBondContact O-N 2.92Å; Y773-L775 PolarHBondContact O-N 3.06Å; L775-K777 VanDerWaalsContact C-N 3.33Å; L775-K777 PolarHBondContact O-N 3.16Å; L775-F778 PolarHBondContact O-N 3.25Å; L775-F779 HydrophobicContact CB-CE2 4.32Å; L775-F779 WeakPolarHBondContact O-CD2 3.41Å; L775-F779 PolarHBondContact O-N 3.27Å
776G88.2Confident86.5Confident42 Ų4258.4 Ų58.443%0.43332%0.323SS..Hα-helixtrans-60.2-41.5175.500000112.7K772 Y773 A780K772-G776 PolarHBondContact O-N 3.08Å; Y773-G776 PolarHBondContact O-N 3.45Å; G776-A780 PolarHBondContact O-N 3.28Å; G776-A780 VanDerWaalsContact O-N 3.12Å
777K86.7Confident86.4Confident74 Ų7459.7 Ų59.732%0.32233%0.327SS..Hα-helixtrans-68-38.5174.3-67.1-56.8-158.481.30112.9E740 F744 Y773 I774 L775 A780 L781E740-K777 IonicContact OE1-NZ 3.74Å; E740-K777 PolarHBondContact OE1-NZ 3.49Å; E740-K777 WeakPolarHBondContact OE2-CB 3.12Å; E740-K777 WeakPolarHBondContact OE2-CD 3.49Å; E740-K777 VanDerWaalsContact OE2-CG 3.25Å; E740-K777 WeakPolarHBondContact OE2-CG 3.08Å; E740-K777 IonicContact OE2-NZ 2.84Å; E740-K777 PolarHBondContact OE2-NZ 3.03Å; F744-K777 HydrophobicContact CZ-CB 4.21Å; Y773-K777 HydrophobicContact CD1-CG 4.4Å; Y773-K777 HydrophobicContact CE1-CG 4Å; Y773-K777 WeakPolarHBondContact O-CG 3.32Å; Y773-K777 PolarHBondContact O-N 2.91Å; Y773-K777 WeakPolarHBondContact OH-CE 3.43Å; Y773-K777 PolarHBondContact OH-NZ 3.22Å; I774-K777 PolarHBondContact O-N 3.33Å; L775-K777 VanDerWaalsContact C-N 3.33Å; L775-K777 PolarHBondContact O-N 3.16Å; K777-A780 PolarHBondContact O-N 3.1Å; K777-L781 PolarHBondContact O-N 3.09Å
778F88.3Confident86.2Confident6 Ų659.4 Ų59.43%0.02633%0.325CS..Hα-helixtrans-60.4-49173.9173.5-104.9000111.8F744 F749 I774 L775 A780 L781 A782 A788 F789 L792F744-F778 HydrophobicContact CB-CD2 4.19Å; F744-F778 HydrophobicContact CD1-CB 3.98Å; F744-F778 HydrophobicContact CD1-CD2 4.24Å; F744-F778 AromaticContact CD2-CD2 3.75Å; F744-F778 HydrophobicContact CD2-CD2 3.75Å; F744-F778 HydrophobicContact CE1-CB 3.78Å; F744-F778 HydrophobicContact CE2-CB 4.38Å; F744-F778 HydrophobicContact CE2-CD2 4.18Å; F744-F778 HydrophobicContact CG-CB 4.38Å; F744-F778 AromaticContact CG-CD2 3.8Å; F744-F778 HydrophobicContact CG-CD2 3.8Å; F744-F778 HydrophobicContact CZ-CB 4.01Å; F749-F778 HydrophobicContact CE2-CB 4.36Å; F749-F778 AromaticContact CE2-CD1 3.71Å; F749-F778 HydrophobicContact CE2-CD1 3.71Å; F749-F778 AromaticContact CE2-CD2 3.96Å; F749-F778 HydrophobicContact CE2-CD2 3.96Å; F749-F778 AromaticContact CE2-CE1 4Å; F749-F778 HydrophobicContact CE2-CE1 4Å; F749-F778 HydrophobicContact CE2-CE2 4.24Å; F749-F778 AromaticContact CE2-CG 3.69Å; F749-F778 HydrophobicContact CE2-CG 3.69Å; F749-F778 HydrophobicContact CE2-CZ 4.26Å; F749-F778 HydrophobicContact CZ-CB 3.82Å; F749-F778 HydrophobicContact CZ-CD1 4.06Å; F749-F778 AromaticContact CZ-CD2 3.89Å; F749-F778 HydrophobicContact CZ-CD2 3.89Å; F749-F778 AromaticContact CZ-CG 3.61Å; F749-F778 HydrophobicContact CZ-CG 3.61Å; I774-F778 PolarHBondContact O-N 2.88Å; L775-F778 PolarHBondContact O-N 3.25Å; F778-A780 VanDerWaalsContact C-N 3.32Å; F778-A780 PolarHBondContact O-N 3.44Å; F778-L781 PolarHBondContact O-N 3.45Å; F778-A782 HydrophobicContact CE1-CB 4.23Å; F778-A782 HydrophobicContact CE2-CB 4.21Å; F778-A782 HydrophobicContact CZ-CB 3.94Å; F778-A782 VanDerWaalsContact O-CB 3.28Å; F778-A782 WeakPolarHBondContact O-CB 3.43Å; F778-A782 PolarHBondContact O-N 3.1Å; F778-A788 HydrophobicContact CE2-CB 4.38Å; F778-F789 HydrophobicContact CE1-CD1 4.46Å; F778-F789 AromaticContact CE1-CE1 3.92Å; F778-F789 HydrophobicContact CE1-CE1 3.92Å; F778-F789 AromaticContact CZ-CD1 3.87Å; F778-F789 HydrophobicContact CZ-CD1 3.87Å; F778-F789 AromaticContact CZ-CE1 3.72Å; F778-F789 HydrophobicContact CZ-CE1 3.72Å; F778-F789 HydrophobicContact CZ-CZ 4.42Å; F778-L792 HydrophobicContact CD2-CD2 4.21Å; F778-L792 HydrophobicContact CE1-CD1 4.41Å; F778-L792 HydrophobicContact CE2-CD1 4.19Å; F778-L792 HydrophobicContact CE2-CD2 3.66Å; F778-L792 HydrophobicContact CE2-CG 4.1Å; F778-L792 HydrophobicContact CZ-CD1 3.75Å; F778-L792 HydrophobicContact CZ-CD2 4.1Å; F778-L792 HydrophobicContact CZ-CG 4.16Å
779F88.4Confident86.1Confident126 Ų12663.8 Ų63.855%0.55334%0.343SS*.Hα-helixtrans-64.7-35.8179.4-68.2-58.1000112.7L775 A783L775-F779 HydrophobicContact CB-CE2 4.32Å; L775-F779 WeakPolarHBondContact O-CD2 3.41Å; L775-F779 PolarHBondContact O-N 3.27Å; F779-A783 WeakPolarHBondContact O-CB 2.99Å; F779-A783 PolarHBondContact O-N 2.95Å; F779-A783 VanDerWaalsContact O-N 3.08Å
780A86.9Confident85.8Confident61 Ų6163.8 Ų63.850%0.50434%0.343SS..Hα-helixtrans-62.7-42.917300000112.4G776 K777 F778G776-A780 PolarHBondContact O-N 3.28Å; G776-A780 VanDerWaalsContact O-N 3.12Å; K777-A780 PolarHBondContact O-N 3.1Å; F778-A780 VanDerWaalsContact C-N 3.32Å; F778-A780 PolarHBondContact O-N 3.44Å
781L83.9Confident85.5Confident29 Ų2965.1 Ų65.115%0.15235%0.349CS..Hα-helixtrans-73.3-39.4178.1-173141.2000112.3F744 K777 F778 A783 V784 N785 A788 M804 T805F744-L781 HydrophobicContact CE2-CB 4.19Å; F744-L781 HydrophobicContact CE2-CD1 4.19Å; F744-L781 HydrophobicContact CE2-CD2 4.28Å; F744-L781 HydrophobicContact CE2-CG 4.45Å; K777-L781 PolarHBondContact O-N 3.09Å; F778-L781 PolarHBondContact O-N 3.45Å; L781-A783 VanDerWaalsContact C-N 3.28Å; L781-A783 PolarHBondContact O-N 3.41Å; L781-V784 PolarHBondContact O-N 3.45Å; L781-V784 VanDerWaalsContact O-N 3.08Å; L781-N785 HydrophobicContact CD2-CB 4.4Å; L781-N785 PolarHBondContact O-N 2.83Å; L781-A788 HydrophobicContact CD2-CB 3.63Å; L781-M804 HydrophobicContact CD2-CE 4.09Å; L781-T805 HydrophobicContact CD1-CG2 4.15Å
782A85Confident85.3Confident8 Ų865.9 Ų65.97%0.06635%0.353CS..Hα-helixtrans-66.6-27.9178.200000113.1F778 V784 F789F778-A782 HydrophobicContact CE1-CB 4.23Å; F778-A782 HydrophobicContact CE2-CB 4.21Å; F778-A782 HydrophobicContact CZ-CB 3.94Å; F778-A782 VanDerWaalsContact O-CB 3.28Å; F778-A782 WeakPolarHBondContact O-CB 3.43Å; F778-A782 PolarHBondContact O-N 3.1Å; A782-V784 VanDerWaalsContact C-N 3.28Å; A782-V784 PolarHBondContact O-N 2.87Å; A782-F789 HydrophobicContact CB-CE1 4.46Å; A782-F789 HydrophobicContact CB-CE2 3.94Å; A782-F789 HydrophobicContact CB-CZ 3.8Å
783A86.6Confident85.1Confident89 Ų8964.9 Ų64.974%0.73635%0.353SS*.Hα-helixtrans-67.7-27171.500000113.1F779 L781F779-A783 WeakPolarHBondContact O-CB 2.99Å; F779-A783 PolarHBondContact O-N 2.95Å; F779-A783 VanDerWaalsContact O-N 3.08Å; L781-A783 VanDerWaalsContact C-N 3.28Å; L781-A783 PolarHBondContact O-N 3.41Å
784V82.8Confident84.8Confident133 Ų13367.3 Ų67.381%0.80637%0.366SS*.Hα-helixtrans-91.2-35.2176179.80000111.5L781 A782L781-V784 PolarHBondContact O-N 3.45Å; L781-V784 VanDerWaalsContact O-N 3.08Å; A782-V784 VanDerWaalsContact C-N 3.28Å; A782-V784 PolarHBondContact O-N 2.87Å
785N79.9Confident84.4Confident25 Ų2570.7 Ų70.713%0.13438%0.378CS..  trans-134.392.1-168.6-174.6-3.1000111.6L781 K787 A788 Y808L781-N785 HydrophobicContact CD2-CB 4.4Å; L781-N785 PolarHBondContact O-N 2.83Å; N785-K787 PolarHBondContact O-N 2.99Å; N785-K787 WeakPolarHBondContact OD1-CB 3.29Å; N785-K787 PolarHBondContact OD1-N 2.59Å; N785-A788 WeakPolarHBondContact O-CB 3.32Å; N785-A788 PolarHBondContact O-N 3.35Å; N785-Y808 WeakPolarHBondContact ND2-CE2 3.41Å
786Q81.1Confident84.1Confident166 Ų16669.2 Ų69.278%0.77637%0.371SS*.G310 helixtrans-62.8-23.3-178.7-66.2-178.1-3.400113.9A788 F789Q786-A788 PolarHBondContact O-N 2.75Å; Q786-F789 WeakPolarHBondContact O-CD2 3.14Å; Q786-F789 PolarHBondContact O-N 2.91Å
787K81.4Confident83.6Confident124 Ų12471.9 Ų71.954%0.53938%0.375SS..G310 helixtrans-62.9-22.5175.3-62.4-179.6176.4-176.80112.1N785 F789 V790 E791 Y808N785-K787 PolarHBondContact O-N 2.99Å; N785-K787 WeakPolarHBondContact OD1-CB 3.29Å; N785-K787 PolarHBondContact OD1-N 2.59Å; K787-F789 PolarHBondContact O-N 2.77Å; K787-V790 PolarHBondContact O-N 2.84Å; K787-E791 WeakPolarHBondContact O-CG 3.41Å; K787-E791 PolarHBondContact O-N 2.91Å; K787-Y808 HydrophobicContact CB-CE2 3.83Å; K787-Y808 HydrophobicContact CD-CD2 3.86Å; K787-Y808 HydrophobicContact CD-CE2 3.55Å; K787-Y808 HydrophobicContact CG-CE2 4.28Å
788A81.1Confident83.1Confident0 Ų070.8 Ų70.80%037%0.374CS..G310 helixtrans-56.9-21.6178.600000114.4F778 L781 N785 Q786 L792 M804F778-A788 HydrophobicContact CE2-CB 4.38Å; L781-A788 HydrophobicContact CD2-CB 3.63Å; N785-A788 WeakPolarHBondContact O-CB 3.32Å; N785-A788 PolarHBondContact O-N 3.35Å; Q786-A788 PolarHBondContact O-N 2.75Å; A788-L792 WeakPolarHBondContact O-CG 3.21Å; A788-L792 PolarHBondContact O-N 2.61Å; A788-M804 HydrophobicContact CB-CE 3.57Å
789F83.1Confident82.5Confident111 Ų11172.4 Ų72.449%0.48739%0.389SS..G310 helixtrans-72.7-38173.3-69.7-71.2000113.4F778 A782 Q786 K787 E791 L792F778-F789 HydrophobicContact CE1-CD1 4.46Å; F778-F789 AromaticContact CE1-CE1 3.92Å; F778-F789 HydrophobicContact CE1-CE1 3.92Å; F778-F789 AromaticContact CZ-CD1 3.87Å; F778-F789 HydrophobicContact CZ-CD1 3.87Å; F778-F789 AromaticContact CZ-CE1 3.72Å; F778-F789 HydrophobicContact CZ-CE1 3.72Å; F778-F789 HydrophobicContact CZ-CZ 4.42Å; A782-F789 HydrophobicContact CB-CE1 4.46Å; A782-F789 HydrophobicContact CB-CE2 3.94Å; A782-F789 HydrophobicContact CB-CZ 3.8Å; Q786-F789 WeakPolarHBondContact O-CD2 3.14Å; Q786-F789 PolarHBondContact O-N 2.91Å; K787-F789 PolarHBondContact O-N 2.77Å; F789-E791 VanDerWaalsContact C-N 3.35Å; F789-L792 HydrophobicContact CD1-CD1 4.38Å; F789-L792 WeakPolarHBondContact O-CB 3.48Å; F789-L792 PolarHBondContact O-N 3.46Å
790V84.2Confident81.9Confident96 Ų9668.3 Ų68.358%0.58237%0.374SS*.G310 helixtrans-67.4-43.2175.1-177.40000109.5K787 L792 L793K787-V790 PolarHBondContact O-N 2.84Å; V790-L792 PolarHBondContact O-N 3.11Å; V790-L793 WeakPolarHBondContact O-CB 3.35Å; V790-L793 WeakPolarHBondContact O-CG 3.38Å; V790-L793 PolarHBondContact O-N 3.39Å
791E82.6Confident81.3Confident36 Ų3665.4 Ų65.417%0.16835%0.35CS..G310 helixtrans-60.6-12.8175.4-65.2-76.2-170.900114K787 F789 L793 K796 M804 Y808K787-E791 WeakPolarHBondContact O-CG 3.41Å; K787-E791 PolarHBondContact O-N 2.91Å; F789-E791 VanDerWaalsContact C-N 3.35Å; E791-L793 PolarHBondContact O-N 2.84Å; E791-K796 WeakPolarHBondContact O-CE 3.39Å; E791-K796 PolarHBondContact O-NZ 3.04Å; E791-M804 HydrophobicContact CB-CE 3.79Å; E791-M804 HydrophobicContact CB-SD 4.03Å; E791-M804 HydrophobicContact CG-CE 4.01Å; E791-M804 HydrophobicContact CG-SD 4.12Å; E791-Y808 WeakPolarHBondContact CG-OH 3.23Å; E791-Y808 PolarHBondContact OE1-OH 3.26Å
792L84.6Confident80.8Confident17 Ų1769.1 Ų69.19%0.08936%0.362CS..G310 helixtrans-69.6-17.6174.3-70.4-176.9000113.5F744 Q745 L746 F749 F778 A788 F789 V790F744-L792 HydrophobicContact CB-CD2 3.99Å; F744-L792 WeakPolarHBondContact O-CD2 3.14Å; Q745-L792 WeakPolarHBondContact CA-O 3.41Å; Q745-L792 WeakPolarHBondContact CG-O 3.43Å; L746-L792 PolarHBondContact N-O 2.93Å; F749-L792 HydrophobicContact CD2-CD1 4.26Å; F749-L792 HydrophobicContact CD2-CD2 4.2Å; F749-L792 HydrophobicContact CE2-CD1 4.07Å; F749-L792 HydrophobicContact CE2-CD2 3.53Å; F749-L792 HydrophobicContact CE2-CG 4.48Å; F749-L792 HydrophobicContact CZ-CD2 4.07Å; F778-L792 HydrophobicContact CD2-CD2 4.21Å; F778-L792 HydrophobicContact CE1-CD1 4.41Å; F778-L792 HydrophobicContact CE2-CD1 4.19Å; F778-L792 HydrophobicContact CE2-CD2 3.66Å; F778-L792 HydrophobicContact CE2-CG 4.1Å; F778-L792 HydrophobicContact CZ-CD1 3.75Å; F778-L792 HydrophobicContact CZ-CD2 4.1Å; F778-L792 HydrophobicContact CZ-CG 4.16Å; A788-L792 WeakPolarHBondContact O-CG 3.21Å; A788-L792 PolarHBondContact O-N 2.61Å; F789-L792 HydrophobicContact CD1-CD1 4.38Å; F789-L792 WeakPolarHBondContact O-CB 3.48Å; F789-L792 PolarHBondContact O-N 3.46Å; V790-L792 PolarHBondContact O-N 3.11Å
793L83.5Confident80.4Confident106 Ų10671.1 Ų71.156%0.55537%0.37SS*.SBendtrans-78-33.2-176.4-60.8173.8000112.2L746 V790 E791L746-L793 HydrophobicContact CD2-CD2 4.39Å; V790-L793 WeakPolarHBondContact O-CB 3.35Å; V790-L793 WeakPolarHBondContact O-CG 3.38Å; V790-L793 PolarHBondContact O-N 3.39Å; E791-L793 PolarHBondContact O-N 2.84Å
794F84Confident79.8Confident128 Ų12867.1 Ų67.156%0.56134%0.336SS*.SBendtrans-105157.8-169.1-56.2-70.9000113.1
795W81.3Confident79.3Confident71 Ų7164.1 Ų64.127%0.26932%0.318SS..PPolyproline II helixtrans-82.1134.9168.4-75.1105.8000109.7V705 R706 V709 Q745V705-W795 HydrophobicContact CG1-CZ3 3.9Å; R706-W795 HydrophobicContact CB-CZ2 4.45Å; R706-W795 HydrophobicContact CG-CD2 3.77Å; R706-W795 HydrophobicContact CG-CE3 4.11Å; R706-W795 HydrophobicContact CG-CG 4.45Å; R706-W795 HydrophobicContact CG-CH2 3.75Å; R706-W795 HydrophobicContact CG-CZ2 3.35Å; R706-W795 HydrophobicContact CG-CZ3 4.11Å; V709-W795 HydrophobicContact CG2-CH2 4.41Å; Q745-W795 VanDerWaalsContact OE1-CZ2 3.26Å
796K82.3Confident78.7Confident6 Ų667.8 Ų67.83%0.02633%0.334CS..PPolyproline II helixtrans-100.6141.1-170.2-70.3152.5-177.8167.30113A741 L742 F744 E791 V800 V801 M804A741-K796 WeakPolarHBondContact O-CD 3.21Å; L742-K796 WeakPolarHBondContact CD2-O 3.48Å; F744-K796 PolarHBondContact O-NZ 3.14Å; E791-K796 WeakPolarHBondContact O-CE 3.39Å; E791-K796 PolarHBondContact O-NZ 3.04Å; K796-V800 HydrophobicContact CG-CG1 4.36Å; K796-V801 HydrophobicContact CB-CG2 3.74Å; K796-V801 HydrophobicContact CD-CG2 4.34Å; K796-M804 HydrophobicContact CD-SD 3.82Å; K796-M804 WeakPolarHBondContact CE-SD 3.29Å
797N78.6Confident77.8Confident98 Ų9861.3 Ų61.352%0.52431%0.313SS..PPolyproline II helixtrans-88.5160.1170.6-70.3-19000111.3A799 V800 V801N797-A799 PolarHBondContact O-N 2.97Å; N797-V800 PolarHBondContact O-N 2.84Å; N797-V801 PolarHBondContact O-N 2.67Å; N797-V801 VanDerWaalsContact O-N 3.1Å
798T75.5Confident76.8Confident50 Ų5059 Ų5931%0.30730%0.301SS..THydrogen-bonded Turntrans-63.5-10.9-177.6-27.50000113.7A700 M739 R802A700-T798 PolarHBondContact O-OG1 2.76Å; A700-T798 VanDerWaalsContact O-OG1 3.12Å; M739-T798 HydrophobicContact CE-CG2 3.57Å; T798-R802 PolarHBondContact O-NE 3.44Å; T798-R802 PolarHBondContact O-NH2 2.71Å
799A75.4Confident75.4Confident40 Ų4060.8 Ų60.833%0.33132%0.319SS..THydrogen-bonded Turntrans-84.7-58.6169.600000111.1N797 V801 R802 E803N797-A799 PolarHBondContact O-N 2.97Å; A799-V801 PolarHBondContact O-N 3.21Å; A799-V801 VanDerWaalsContact O-N 3.14Å; A799-R802 WeakPolarHBondContact O-CA 3.34Å; A799-R802 WeakPolarHBondContact O-CB 3.48Å; A799-R802 PolarHBondContact O-N 2.99Å; A799-E803 PolarHBondContact O-N 2.87Å; A799-E803 VanDerWaalsContact O-N 3.11Å
800V77.1Confident74Confident40 Ų4056.9 Ų56.924%0.24231%0.306CS..Hα-helixtrans-51.1-40.6178-175.50000112.2K796 N797 R802 E803 M804K796-V800 HydrophobicContact CG-CG1 4.36Å; N797-V800 PolarHBondContact O-N 2.84Å; V800-R802 VanDerWaalsContact C-N 3.32Å; V800-R802 PolarHBondContact O-N 3.5Å; V800-E803 PolarHBondContact O-N 3.42Å; V800-M804 HydrophobicContact CG1-CG 4.41Å; V800-M804 WeakPolarHBondContact O-CG 3.42Å; V800-M804 PolarHBondContact O-N 2.84Å
801V73.4Confident72.3Confident0 Ų055.1 Ų55.10%029%0.293CS..Hα-helixtrans-62.3-37.3176167.30000113M739 A741 L742 K796 N797 A799 M804 T805M739-V801 HydrophobicContact CB-CG1 4.45Å; M739-V801 HydrophobicContact CE-CB 3.74Å; M739-V801 HydrophobicContact CE-CG1 3.42Å; M739-V801 VanDerWaalsContact CE-CG1 3.42Å; M739-V801 HydrophobicContact SD-CG1 3.92Å; A741-V801 HydrophobicContact CB-CG1 4.02Å; A741-V801 HydrophobicContact CB-CG2 4.19Å; L742-V801 HydrophobicContact CD2-CG2 3.65Å; L742-V801 HydrophobicContact CG-CG2 3.87Å; K796-V801 HydrophobicContact CB-CG2 3.74Å; K796-V801 HydrophobicContact CD-CG2 4.34Å; N797-V801 PolarHBondContact O-N 2.67Å; N797-V801 VanDerWaalsContact O-N 3.1Å; A799-V801 PolarHBondContact O-N 3.21Å; A799-V801 VanDerWaalsContact O-N 3.14Å; V801-M804 PolarHBondContact O-N 2.84Å; V801-T805 WeakPolarHBondContact O-CG2 3.37Å; V801-T805 PolarHBondContact O-N 2.9Å; V801-T805 VanDerWaalsContact O-N 3.14Å; V801-T805 PolarHBondContact O-OG1 3.11Å; V801-T805 VanDerWaalsContact O-OG1 3.09Å
802R72.6Confident70.6Confident108 Ų10858 Ų5841%0.40831%0.31SS..Hα-helixtrans-68.4-41.5175.2-84.1176.1-79168.1-4.4111.3T798 A799 V800 M804 T805 E806T798-R802 PolarHBondContact O-NE 3.44Å; T798-R802 PolarHBondContact O-NH2 2.71Å; A799-R802 WeakPolarHBondContact O-CA 3.34Å; A799-R802 WeakPolarHBondContact O-CB 3.48Å; A799-R802 PolarHBondContact O-N 2.99Å; V800-R802 VanDerWaalsContact C-N 3.32Å; V800-R802 PolarHBondContact O-N 3.5Å; R802-M804 VanDerWaalsContact C-N 3.34Å; R802-M804 PolarHBondContact O-N 3.06Å; R802-T805 WeakPolarHBondContact CA-OG1 3.49Å; R802-T805 PolarHBondContact O-N 3.3Å; R802-T805 PolarHBondContact O-OG1 2.72Å; R802-E806 VanDerWaalsContact O-CB 3.3Å; R802-E806 WeakPolarHBondContact O-CB 3.15Å; R802-E806 WeakPolarHBondContact O-CG 3.42Å; R802-E806 PolarHBondContact O-N 3.32Å
803E77Confident68.8Low50 Ų5063.7 Ų63.723%0.23434%0.34CS..Hα-helixtrans-61.9-39.5173.3-66.1162.9-135.400112.1A799 V800 T805 G807 Y808 L811A799-E803 PolarHBondContact O-N 2.87Å; A799-E803 VanDerWaalsContact O-N 3.11Å; V800-E803 PolarHBondContact O-N 3.42Å; E803-T805 VanDerWaalsContact C-N 3.3Å; E803-T805 PolarHBondContact O-N 3.11Å; E803-G807 CarbonylContact O-C 3.58Å; E803-G807 WeakPolarHBondContact O-CA 3.25Å; E803-G807 PolarHBondContact O-N 3.39Å; E803-Y808 HydrophobicContact CB-CD1 4.19Å; E803-Y808 PolarHBondContact O-N 3.42Å; E803-L811 HydrophobicContact CG-CD1 3.77Å; E803-L811 HydrophobicContact CG-CG 4.24Å
804M73.8Confident67Low5 Ų567.2 Ų67.23%0.02535%0.346CS..Hα-helixtrans-62.6-34.6174.5-73.2-16878.200112.9A741 L781 A788 E791 K796 V800 V801 R802A741-M804 HydrophobicContact CB-CB 4.46Å; A741-M804 HydrophobicContact CB-SD 4.19Å; L781-M804 HydrophobicContact CD2-CE 4.09Å; A788-M804 HydrophobicContact CB-CE 3.57Å; E791-M804 HydrophobicContact CB-CE 3.79Å; E791-M804 HydrophobicContact CB-SD 4.03Å; E791-M804 HydrophobicContact CG-CE 4.01Å; E791-M804 HydrophobicContact CG-SD 4.12Å; K796-M804 HydrophobicContact CD-SD 3.82Å; K796-M804 WeakPolarHBondContact CE-SD 3.29Å; V800-M804 HydrophobicContact CG1-CG 4.41Å; V800-M804 WeakPolarHBondContact O-CG 3.42Å; V800-M804 PolarHBondContact O-N 2.84Å; V801-M804 PolarHBondContact O-N 2.84Å; R802-M804 VanDerWaalsContact C-N 3.34Å; R802-M804 PolarHBondContact O-N 3.06Å
805T72.7Confident64.9Low70 Ų7063.7 Ų63.743%0.42934%0.337SS..Hα-helixtrans-92.2-32.6-177.753.30000115L781 V801 R802 E803L781-T805 HydrophobicContact CD1-CG2 4.15Å; V801-T805 WeakPolarHBondContact O-CG2 3.37Å; V801-T805 PolarHBondContact O-N 2.9Å; V801-T805 VanDerWaalsContact O-N 3.14Å; V801-T805 PolarHBondContact O-OG1 3.11Å; V801-T805 VanDerWaalsContact O-OG1 3.09Å; R802-T805 WeakPolarHBondContact CA-OG1 3.49Å; R802-T805 PolarHBondContact O-N 3.3Å; R802-T805 PolarHBondContact O-OG1 2.72Å; E803-T805 VanDerWaalsContact C-N 3.3Å; E803-T805 PolarHBondContact O-N 3.11Å
806E68.4Low63Low101 Ų10163.6 Ų63.647%0.47235%0.347SS..Hα-helixtrans-98-15-177.8-62.2-176.2-177.700112.6R802 S810R802-E806 VanDerWaalsContact O-CB 3.3Å; R802-E806 WeakPolarHBondContact O-CB 3.15Å; R802-E806 WeakPolarHBondContact O-CG 3.42Å; R802-E806 PolarHBondContact O-N 3.32Å; E806-S810 WeakPolarHBondContact CB-OG 3.25Å; E806-S810 PolarHBondContact OE2-OG 3.35Å
807G62.1Low61.2Low31 Ų3168.2 Ų68.232%0.3238%0.38SS..  trans106131.8-175.800000112.1E803 G809 S810E803-G807 CarbonylContact O-C 3.58Å; E803-G807 WeakPolarHBondContact O-CA 3.25Å; E803-G807 PolarHBondContact O-N 3.39Å; G807-G809 PolarHBondContact O-N 3.06Å; G807-S810 WeakPolarHBondContact O-CB 3.4Å; G807-S810 PolarHBondContact O-N 3.34Å; G807-S810 PolarHBondContact O-OG 3.16Å
808Y58.6Low59.7Low75 Ų7574.6 Ų74.629%0.29440%0.397SS..THydrogen-bonded Turntrans-56.6122.4174.3-67.1-82.6000110.2N785 K787 E791 E803N785-Y808 WeakPolarHBondContact ND2-CE2 3.41Å; K787-Y808 HydrophobicContact CB-CE2 3.83Å; K787-Y808 HydrophobicContact CD-CD2 3.86Å; K787-Y808 HydrophobicContact CD-CE2 3.55Å; K787-Y808 HydrophobicContact CG-CE2 4.28Å; E791-Y808 WeakPolarHBondContact CG-OH 3.23Å; E791-Y808 PolarHBondContact OE1-OH 3.26Å; E803-Y808 HydrophobicContact CB-CD1 4.19Å; E803-Y808 PolarHBondContact O-N 3.42Å
809G53.6Low58.1Low37 Ų3780.5 Ų80.538%0.38141%0.413SS..THydrogen-bonded Turntrans103.5-10-17500000115.4G807 L811 D812G807-G809 PolarHBondContact O-N 3.06Å; G809-L811 PolarHBondContact O-N 2.96Å; G809-L811 VanDerWaalsContact O-N 3.15Å; G809-D812 PolarHBondContact O-N 3Å; G809-D812 VanDerWaalsContact O-N 3.14Å
810S52.7Low57Low29 Ų2981.3 Ų81.320%0.20342%0.42CS..Hα-helixtrans-61.2-25.9178.675.60000113.7E806 G807 R814E806-S810 WeakPolarHBondContact CB-OG 3.25Å; E806-S810 PolarHBondContact OE2-OG 3.35Å; G807-S810 WeakPolarHBondContact O-CB 3.4Å; G807-S810 PolarHBondContact O-N 3.34Å; G807-S810 PolarHBondContact O-OG 3.16Å; S810-R814 PolarHBondContact O-N 3.2Å
811L47.8Very low56Low59 Ų5982.9 Ų82.931%0.30943%0.431SS..Hα-helixtrans-80.6-26.3178.4-63.9-178.3000113.3E803 G809 S815E803-L811 HydrophobicContact CG-CD1 3.77Å; E803-L811 HydrophobicContact CG-CG 4.24Å; G809-L811 PolarHBondContact O-N 2.96Å; G809-L811 VanDerWaalsContact O-N 3.15Å; L811-S815 VanDerWaalsContact O-CB 3.24Å; L811-S815 WeakPolarHBondContact O-CB 3.35Å; L811-S815 PolarHBondContact O-N 3.46Å; L811-S815 PolarHBondContact O-OG 3.42Å; L811-S815 VanDerWaalsContact O-OG 3.08Å
812D48.7Very low55.3Low98 Ų9889 Ų8952%0.52447%0.469SS..Hα-helixtrans-63.5-45.2170.8-79.6-62.8000110.3G809 R814 S815 S816 R819G809-D812 PolarHBondContact O-N 3Å; G809-D812 VanDerWaalsContact O-N 3.14Å; D812-R814 VanDerWaalsContact C-N 3.3Å; D812-R814 PolarHBondContact O-N 2.97Å; D812-S815 PolarHBondContact O-N 3.34Å; D812-S815 PolarHBondContact O-OG 3.23Å; D812-S816 PolarHBondContact O-N 3.45Å; D812-R819 IonicContact OD1-NH2 3.57Å
813D45.6Very low54.9Low135 Ų13585 Ų8572%0.72245%0.454SS*.Hα-helixtrans-67.2-29.1-176.7-13619000112.7S816D813-S816 WeakPolarHBondContact O-CB 3.34Å; D813-S816 PolarHBondContact O-OG 3.24Å
814R44.9Very low54.8Low181 Ų18184.7 Ų84.768%0.68346%0.457SS*.Hα-helixtrans-89.1-25.3174.1-79.2-178.8160.9173.4-4.8114.6S810 D812 S816 S817S810-R814 PolarHBondContact O-N 3.2Å; D812-R814 VanDerWaalsContact C-N 3.3Å; D812-R814 PolarHBondContact O-N 2.97Å; R814-S816 PolarHBondContact O-N 2.68Å; R814-S817 PolarHBondContact O-OG 3.01Å
815S40.3Very low54.8Low54 Ų5489.4 Ų89.438%0.37849%0.488SS..Hα-helixtrans-74.8-13.5173.369.40000113.2L811 D812 S817 R818L811-S815 VanDerWaalsContact O-CB 3.24Å; L811-S815 WeakPolarHBondContact O-CB 3.35Å; L811-S815 PolarHBondContact O-N 3.46Å; L811-S815 PolarHBondContact O-OG 3.42Å; L811-S815 VanDerWaalsContact O-OG 3.08Å; D812-S815 PolarHBondContact O-N 3.34Å; D812-S815 PolarHBondContact O-OG 3.23Å; S815-S817 PolarHBondContact O-N 3.37Å; S815-R818 PolarHBondContact O-N 2.87Å
816S41.8Very low54.7Low69 Ų6993.8 Ų93.848%0.48350%0.504SS..G310 helixtrans-39.9-39.9168.960.70000114.2D812 D813 R814 R818 R819D812-S816 PolarHBondContact O-N 3.45Å; D813-S816 WeakPolarHBondContact O-CB 3.34Å; D813-S816 PolarHBondContact O-OG 3.24Å; R814-S816 PolarHBondContact O-N 2.68Å; S816-R818 PolarHBondContact O-N 3.15Å; S816-R819 PolarHBondContact O-N 3.44Å
817S44.2Very low54.8Low102 Ų10290.7 Ų90.771%0.71349%0.489SS*.G310 helixtrans-59.2-7.7176.861.80000116R814 S815R814-S817 PolarHBondContact O-OG 3.01Å; S815-S817 PolarHBondContact O-N 3.37Å
818R46.7Very low55.4Low232 Ų23291.4 Ų91.488%0.87548%0.484SS*.G310 helixtrans-1273.2178.2-68.7-171.3177.2-174.80.6115.3S815 S816S815-R818 PolarHBondContact O-N 2.87Å; S816-R818 PolarHBondContact O-N 3.15Å
819R42.7Very low56.2Low174 Ų17490.3 Ų90.366%0.65749%0.49SS*.SBendtrans-70.6148.2167.1-69.4-168.2-178.8-167.82.8109.3D812 S816D812-R819 IonicContact OD1-NH2 3.57Å; S816-R819 PolarHBondContact O-N 3.44Å
820A51.5Low57.1Low57 Ų5794.1 Ų94.147%0.47149%0.493SS..PPolyproline II helixtrans-59.3140.4168.200000108.6T822A820-T822 PolarHBondContact O-N 3Å
821P57.6Low58.4Low73 Ų7392.7 Ų92.747%0.47448%0.484SS..PPolyproline II helixtrans-59.5130.7-177.4-19.129.4000109.8R859P821-R859 PolarHBondContact O-NH1 3.1Å
822T58.1Low59.8Low130 Ų13094.1 Ų94.180%0.79849%0.485SS*.PPolyproline II helixtrans-54.7144.7178.9-360000110.1A820A820-T822 PolarHBondContact O-N 3Å
823W64.5Low61.3Low24 Ų2495.9 Ų95.99%0.09149%0.49CS..PPolyproline II helixtrans-79.5131.7170.7-68.176000108.9E827 E828 L831 L854 I864 H867W823-E827 HydrophobicContact CE3-CB 3.83Å; W823-E827 HydrophobicContact CZ3-CB 4.39Å; W823-E828 HydrophobicContact CB-CG 3.97Å; W823-L831 HydrophobicContact CE3-CD2 4.37Å; W823-L831 HydrophobicContact CH2-CD1 4.19Å; W823-L831 HydrophobicContact CH2-CD2 3.81Å; W823-L831 HydrophobicContact CH2-CG 4.46Å; W823-L831 HydrophobicContact CZ2-CD2 4.43Å; W823-L831 HydrophobicContact CZ3-CB 4.07Å; W823-L831 HydrophobicContact CZ3-CD1 4.31Å; W823-L831 HydrophobicContact CZ3-CD2 3.78Å; W823-L831 HydrophobicContact CZ3-CG 4.27Å; W823-L854 HydrophobicContact CH2-CD1 4.38Å; W823-I864 HydrophobicContact CH2-CG1 4.2Å; W823-I864 HydrophobicContact CZ2-CG1 4.37Å; W823-H867 AromaticContact CD1-CD2 3.61Å; W823-H867 AromaticContact CD1-CE1 3.18Å; W823-H867 AromaticContact CD1-CG 3.77Å; W823-H867 AromaticContact CD1-ND1 3.52Å; W823-H867 AromaticContact CD1-NE2 3.2Å; W823-H867 AromaticContact CE2-CG 3.81Å; W823-H867 AromaticContact CG-CE1 3.85Å; W823-H867 AromaticContact CG-ND1 3.91Å; W823-H867 HydrophobicContact CZ2-CB 4.24Å; W823-H867 AromaticContact NE1-CD2 3.16Å; W823-H867 PolarHBondContact NE1-CD2 3.46Å; W823-H867 AromaticContact NE1-CE1 3.59Å; W823-H867 AromaticContact NE1-CG 3.36Å; W823-H867 AromaticContact NE1-ND1 3.62Å; W823-H867 AromaticContact NE1-NE2 3.28Å; W823-H867 PolarHBondContact NE1-NE2 3Å
824S75.4Confident62.9Low43 Ų4390.6 Ų90.630%0.30146%0.461SS..PPolyproline II helixtrans-76.8152.8166.5590000110.6E826 E827 E828S824-E826 PolarHBondContact O-N 3.37Å; S824-E826 VanDerWaalsContact O-N 3.13Å; S824-E827 WeakPolarHBondContact CB-OE2 3.44Å; S824-E827 PolarHBondContact N-OE2 3.46Å; S824-E827 PolarHBondContact O-N 3.2Å; S824-E827 WeakPolarHBondContact OG-CB 3.45Å; S824-E827 VanDerWaalsContact OG-CG 3.22Å; S824-E827 WeakPolarHBondContact OG-CG 3.35Å; S824-E827 PolarHBondContact OG-N 3.24Å; S824-E827 PolarHBondContact OG-OE2 3.36Å; S824-E828 PolarHBondContact O-N 3.05Å
825P72.8Confident64.5Low104 Ų10482.7 Ų82.768%0.67543%0.432SS*.Hα-helixtrans-56.9-28.6176.2-26.435.6000113.5A829P825-A829 WeakPolarHBondContact O-CB 3.47Å; P825-A829 PolarHBondContact O-N 3.06Å
826E70.3Confident66.2Low162 Ų16285.1 Ų85.176%0.75744%0.44SS*.Hα-helixtrans-72.6-42.8175.6-62.6178-166.900112.1S824 E828 A829 R830S824-E826 PolarHBondContact O-N 3.37Å; S824-E826 VanDerWaalsContact O-N 3.13Å; E826-E828 VanDerWaalsContact C-N 3.33Å; E826-A829 PolarHBondContact O-N 3.13Å; E826-R830 WeakPolarHBondContact O-CB 3.23Å; E826-R830 PolarHBondContact O-N 3.25Å
827E71.3Confident67.9Low36 Ų3685 Ų8517%0.16844%0.443CS..Hα-helixtrans-63.7-37.8171.3-74.5167114.400111.7W823 S824 L831 R859W823-E827 HydrophobicContact CE3-CB 3.83Å; W823-E827 HydrophobicContact CZ3-CB 4.39Å; S824-E827 WeakPolarHBondContact CB-OE2 3.44Å; S824-E827 PolarHBondContact N-OE2 3.46Å; S824-E827 PolarHBondContact O-N 3.2Å; S824-E827 WeakPolarHBondContact OG-CB 3.45Å; S824-E827 VanDerWaalsContact OG-CG 3.22Å; S824-E827 WeakPolarHBondContact OG-CG 3.35Å; S824-E827 PolarHBondContact OG-N 3.24Å; S824-E827 PolarHBondContact OG-OE2 3.36Å; E827-L831 VanDerWaalsContact O-CB 3.3Å; E827-L831 WeakPolarHBondContact O-CB 3.43Å; E827-L831 PolarHBondContact O-N 3.15Å; E827-R859 IonicContact OE1-CZ 3.67Å; E827-R859 IonicContact OE1-NE 3.42Å; E827-R859 IonicContact OE1-NH2 3.78Å; E827-R859 PolarHBondContact OE1-NH2 3.26Å; E827-R859 IonicContact OE2-NH2 2.99Å
828E74.3Confident69.1Low46 Ų4681.7 Ų81.722%0.21542%0.416CS..Hα-helixtrans-67.4-41.8174.9-64.8-169.2169.900112.7W823 S824 E826 R830 L831 R832 L871W823-E828 HydrophobicContact CB-CG 3.97Å; S824-E828 PolarHBondContact O-N 3.05Å; E826-E828 VanDerWaalsContact C-N 3.33Å; E828-R830 VanDerWaalsContact C-N 3.32Å; E828-L831 PolarHBondContact O-N 3.32Å; E828-R832 VanDerWaalsContact O-CG 3.3Å; E828-R832 WeakPolarHBondContact O-CG 3.5Å; E828-R832 PolarHBondContact O-N 3.24Å; E828-R832 IonicContact OE2-CZ 2.97Å; E828-R832 VanDerWaalsContact OE2-CZ 3.31Å; E828-R832 IonicContact OE2-NH1 3.65Å; E828-R832 PolarHBondContact OE2-NH1 3.43Å; E828-R832 IonicContact OE2-NH2 2.67Å; E828-R832 PolarHBondContact OE2-NH2 3.26Å; E828-L871 HydrophobicContact CB-CD1 4.36Å; E828-L871 HydrophobicContact CG-CD1 4.46Å
829A74.9Confident70.1Confident51 Ų5175.9 Ų75.942%0.42140%0.397SS..Hα-helixtrans-60.1-45.4175.800000110.8P825 E826 L831 R832 E833P825-A829 WeakPolarHBondContact O-CB 3.47Å; P825-A829 PolarHBondContact O-N 3.06Å; E826-A829 PolarHBondContact O-N 3.13Å; A829-L831 VanDerWaalsContact C-N 3.34Å; A829-L831 PolarHBondContact O-N 3.28Å; A829-R832 WeakPolarHBondContact O-CB 3.26Å; A829-R832 PolarHBondContact O-N 3.26Å; A829-E833 WeakPolarHBondContact O-CB 3.19Å; A829-E833 PolarHBondContact O-N 3.45Å
830R73.4Confident70.8Confident117 Ų11774.2 Ų74.244%0.44240%0.402SS..Hα-helixtrans-66-32.9174.8-174170.9172.9164.8-4.5113E826 E828 L834 H853E826-R830 WeakPolarHBondContact O-CB 3.23Å; E826-R830 PolarHBondContact O-N 3.25Å; E828-R830 VanDerWaalsContact C-N 3.32Å; R830-L834 HydrophobicContact CG-CD1 4.08Å; R830-L834 HydrophobicContact CG-CG 4.48Å; R830-L834 WeakPolarHBondContact O-CB 3.3Å; R830-L834 VanDerWaalsContact O-CG 3.26Å; R830-L834 WeakPolarHBondContact O-CG 3.39Å; R830-L834 PolarHBondContact O-N 3.02Å; R830-H853 PolarHBondContact NH2-O 3.11Å
831L79.4Confident71.7Confident0 Ų074.6 Ų74.60%040%0.398CS..Hα-helixtrans-68-43.6173.3-177.569.3000111.6W823 E827 E828 A829 Y835 I850 L854 I864 H867 L868 L871W823-L831 HydrophobicContact CE3-CD2 4.37Å; W823-L831 HydrophobicContact CH2-CD1 4.19Å; W823-L831 HydrophobicContact CH2-CD2 3.81Å; W823-L831 HydrophobicContact CH2-CG 4.46Å; W823-L831 HydrophobicContact CZ2-CD2 4.43Å; W823-L831 HydrophobicContact CZ3-CB 4.07Å; W823-L831 HydrophobicContact CZ3-CD1 4.31Å; W823-L831 HydrophobicContact CZ3-CD2 3.78Å; W823-L831 HydrophobicContact CZ3-CG 4.27Å; E827-L831 VanDerWaalsContact O-CB 3.3Å; E827-L831 WeakPolarHBondContact O-CB 3.43Å; E827-L831 PolarHBondContact O-N 3.15Å; E828-L831 PolarHBondContact O-N 3.32Å; A829-L831 VanDerWaalsContact C-N 3.34Å; A829-L831 PolarHBondContact O-N 3.28Å; L831-Y835 VanDerWaalsContact O-CB 3.28Å; L831-Y835 WeakPolarHBondContact O-CB 3.44Å; L831-Y835 PolarHBondContact O-N 3.28Å; L831-I850 HydrophobicContact CD1-CD1 4.47Å; L831-I850 HydrophobicContact CD1-CG2 3.62Å; L831-L854 HydrophobicContact CD1-CD1 4.27Å; L831-I864 HydrophobicContact CD1-CG2 4.05Å; L831-H867 HydrophobicContact CD2-CB 4.27Å; L831-L868 HydrophobicContact CD1-CD2 4.19Å; L831-L868 HydrophobicContact CD2-CD2 3.99Å; L831-L868 HydrophobicContact CD2-CG 4.44Å; L831-L868 HydrophobicContact CG-CD2 3.87Å; L831-L871 HydrophobicContact CD2-CD1 4.4Å
832R77.3Confident71.1Confident88 Ų8880.5 Ų80.533%0.33242%0.419SS..Hα-helixtrans-58.7-47.2174.1-70.6165-177.3115.66.6110.7E828 A829 Y835 L836 L871 L873E828-R832 VanDerWaalsContact O-CG 3.3Å; E828-R832 WeakPolarHBondContact O-CG 3.5Å; E828-R832 PolarHBondContact O-N 3.24Å; E828-R832 IonicContact OE2-CZ 2.97Å; E828-R832 VanDerWaalsContact OE2-CZ 3.31Å; E828-R832 IonicContact OE2-NH1 3.65Å; E828-R832 PolarHBondContact OE2-NH1 3.43Å; E828-R832 IonicContact OE2-NH2 2.67Å; E828-R832 PolarHBondContact OE2-NH2 3.26Å; A829-R832 WeakPolarHBondContact O-CB 3.26Å; A829-R832 PolarHBondContact O-N 3.26Å; R832-Y835 PolarHBondContact O-N 3.41Å; R832-L836 VanDerWaalsContact O-CG 3.3Å; R832-L836 WeakPolarHBondContact O-CG 3.45Å; R832-L836 PolarHBondContact O-N 2.9Å; R832-L871 HydrophobicContact CG-CD1 4.34Å; R832-L873 HydrophobicContact CB-CD1 4.44Å; R832-L873 HydrophobicContact CG-CD1 3.96Å
833E80.2Confident71.1Confident136 Ų13678.4 Ų78.464%0.63642%0.424SS*.Hα-helixtrans-61.9-50.7178-175175.8-143.800112.3A829 Y835 L836 A837A829-E833 WeakPolarHBondContact O-CB 3.19Å; A829-E833 PolarHBondContact O-N 3.45Å; E833-Y835 VanDerWaalsContact C-N 3.33Å; E833-Y835 PolarHBondContact O-N 2.71Å; E833-L836 PolarHBondContact O-N 2.77Å; E833-A837 VanDerWaalsContact O-CB 3.31Å; E833-A837 WeakPolarHBondContact O-CB 3.22Å; E833-A837 PolarHBondContact O-N 3.36Å
834L78.8Confident70.8Confident23 Ų2383 Ų8312%0.1245%0.446CS..Hα-helixtrans-64.4-35177.9-72.4170.6000112.8R830 H838 I850 H853 L854R830-L834 HydrophobicContact CG-CD1 4.08Å; R830-L834 HydrophobicContact CG-CG 4.48Å; R830-L834 WeakPolarHBondContact O-CB 3.3Å; R830-L834 VanDerWaalsContact O-CG 3.26Å; R830-L834 WeakPolarHBondContact O-CG 3.39Å; R830-L834 PolarHBondContact O-N 3.02Å; L834-H838 WeakPolarHBondContact O-CB 3.45Å; L834-H838 PolarHBondContact O-CD2 3.35Å; L834-H838 PolarHBondContact O-N 2.83Å; L834-I850 HydrophobicContact CB-CG1 4.13Å; L834-H853 HydrophobicContact CD1-CB 3.94Å; L834-H853 HydrophobicContact CD2-CB 3.81Å; L834-L854 HydrophobicContact CD1-CD2 3.93Å; L834-L854 HydrophobicContact CD1-CG 4.11Å
835Y79.5Confident70.6Confident15 Ų1582.4 Ų82.46%0.05944%0.44CS..Hα-helixtrans-66.4-47.7175.1177.2-103.8000111.4L831 R832 E833 H838 K839 V846 I850 L868 L873 F880L831-Y835 VanDerWaalsContact O-CB 3.28Å; L831-Y835 WeakPolarHBondContact O-CB 3.44Å; L831-Y835 PolarHBondContact O-N 3.28Å; R832-Y835 PolarHBondContact O-N 3.41Å; E833-Y835 VanDerWaalsContact C-N 3.33Å; E833-Y835 PolarHBondContact O-N 2.71Å; Y835-H838 PolarHBondContact O-N 3.15Å; Y835-K839 HydrophobicContact CE1-CD 3.88Å; Y835-K839 WeakPolarHBondContact O-CB 3.46Å; Y835-K839 PolarHBondContact O-N 2.94Å; Y835-K839 PolarHBondContact OH-NZ 2.95Å; Y835-V846 HydrophobicContact CD2-CG1 3.88Å; Y835-V846 HydrophobicContact CE2-CG1 4.15Å; Y835-I850 HydrophobicContact CD2-CD1 4.21Å; Y835-L868 HydrophobicContact CD2-CD1 3.84Å; Y835-L868 HydrophobicContact CD2-CD2 3.95Å; Y835-L868 HydrophobicContact CE2-CD1 4.3Å; Y835-L868 HydrophobicContact CG-CD2 3.84Å; Y835-L873 HydrophobicContact CD1-CB 3.83Å; Y835-L873 HydrophobicContact CD1-CD1 3.94Å; Y835-L873 HydrophobicContact CD1-CD2 4.43Å; Y835-L873 HydrophobicContact CD1-CG 4.31Å; Y835-L873 HydrophobicContact CE1-CB 3.76Å; Y835-L873 VanDerWaalsContact CE1-O 3.28Å; Y835-L873 WeakPolarHBondContact CE1-O 3.43Å; Y835-L873 HydrophobicContact CG-CD1 4.34Å; Y835-L873 PolarHBondContact OH-O 3.01Å; Y835-F880 AromaticContact CE2-CE1 3.97Å; Y835-F880 HydrophobicContact CE2-CE1 3.97Å; Y835-F880 AromaticContact CE2-CZ 3.77Å; Y835-F880 HydrophobicContact CE2-CZ 3.77Å
836L76.4Confident70.5Confident105 Ų10578.6 Ų78.655%0.5541%0.414SS..Hα-helixtrans-63.4-43.2177.6-68.8169.6000111.8R832 E833 H838 K839R832-L836 VanDerWaalsContact O-CG 3.3Å; R832-L836 WeakPolarHBondContact O-CG 3.45Å; R832-L836 PolarHBondContact O-N 2.9Å; E833-L836 PolarHBondContact O-N 2.77Å; L836-H838 PolarHBondContact O-N 2.94Å; L836-K839 PolarHBondContact O-N 3.43Å
837A76.7Confident70.6Confident66 Ų6670.9 Ų70.955%0.54538%0.378SS..Hα-helixtrans-64.9-23.2179.500000114.3E833E833-A837 VanDerWaalsContact O-CB 3.31Å; E833-A837 WeakPolarHBondContact O-CB 3.22Å; E833-A837 PolarHBondContact O-N 3.36Å
838H68.9Low70.6Confident33 Ų3373 Ų7315%0.15339%0.388CS..Hα-helixtrans-108.9-5.7179.1-68.3-55.5000114.3L834 Y835 L836 D840 V846 A849 H853L834-H838 WeakPolarHBondContact O-CB 3.45Å; L834-H838 PolarHBondContact O-CD2 3.35Å; L834-H838 PolarHBondContact O-N 2.83Å; Y835-H838 PolarHBondContact O-N 3.15Å; L836-H838 PolarHBondContact O-N 2.94Å; H838-D840 VanDerWaalsContact C-N 3.34Å; H838-D840 PolarHBondContact O-N 2.95Å; H838-V846 HydrophobicContact CB-CG1 4.07Å; H838-A849 HydrophobicContact CB-CB 4.42Å; H838-H853 AromaticContact NE2-CE1 3.79Å; H838-H853 AromaticContact NE2-ND1 3.73Å
839K67.6Low70.5Confident110 Ų11071.4 Ų71.448%0.47838%0.383SS..Hα-helixtrans-64.4-37.4178.6-176.3167-174.2154.90112.8Y835 L836 V841Y835-K839 HydrophobicContact CE1-CD 3.88Å; Y835-K839 WeakPolarHBondContact O-CB 3.46Å; Y835-K839 PolarHBondContact O-N 2.94Å; Y835-K839 PolarHBondContact OH-NZ 2.95Å; L836-K839 PolarHBondContact O-N 3.43Å; K839-V841 VanDerWaalsContact C-N 3.33Å; K839-V841 PolarHBondContact O-N 3.45Å
840D58.6Low70.4Confident140 Ų14069 Ų6975%0.74936%0.363SS*.THydrogen-bonded Turntrans-90.67.1-173.7-57.6-18.4000113.1H838 E842H838-D840 VanDerWaalsContact C-N 3.34Å; H838-D840 PolarHBondContact O-N 2.95Å; D840-E842 PolarHBondContact O-N 3.36Å
841V68.9Low70.5Confident64 Ų6466.1 Ų66.139%0.38836%0.356SS..  trans-97.287.9-179.3-176.10000110.2K839 G843 Q844K839-V841 VanDerWaalsContact C-N 3.33Å; K839-V841 PolarHBondContact O-N 3.45Å; V841-G843 PolarHBondContact O-N 3.01Å; V841-Q844 HydrophobicContact CG1-CB 4.25Å; V841-Q844 HydrophobicContact CG1-CG 4.18Å; V841-Q844 PolarHBondContact O-N 3.21Å
842E45.2Very low70.2Confident197 Ų19768.9 Ų68.992%0.92138%0.379SS*.THydrogen-bonded Turntrans-53.4125.7178.3-65.3-172.8171.300112.1D840D840-E842 PolarHBondContact O-N 3.36Å
843G58Low69.8Low87 Ų8769 Ų6990%0.89738%0.383SS*.THydrogen-bonded Turntrans93.1-5.8173.700000116.6V841V841-G843 PolarHBondContact O-N 3.01Å
844Q58.4Low69.4Low120 Ų12063.2 Ų63.256%0.56136%0.356SS*.SBendtrans-94143.4167.7-74.5-163-8.400112.3V841 V846V841-Q844 HydrophobicContact CG1-CB 4.25Å; V841-Q844 HydrophobicContact CG1-CG 4.18Å; V841-Q844 PolarHBondContact O-N 3.21Å; Q844-V846 PolarHBondContact O-N 2.8Å; Q844-V846 VanDerWaalsContact O-N 3.12Å
845D71Confident68.4Low31 Ų3168.6 Ų68.617%0.16639%0.385CS..  trans-8194.6178.2-166-10.9000109.1V847 E848 A849 R861 R882D845-V847 PolarHBondContact O-N 3.45Å; D845-E848 HydrophobicContact CB-CB 4.38Å; D845-E848 HydrophobicContact CB-CG 4.45Å; D845-E848 WeakPolarHBondContact O-CA 3.28Å; D845-E848 WeakPolarHBondContact O-CB 3.38Å; D845-E848 PolarHBondContact O-N 2.97Å; D845-A849 PolarHBondContact O-N 3.12Å; D845-A849 VanDerWaalsContact O-N 3.14Å; D845-R861 VanDerWaalsContact CG-NH2 3.26Å; D845-R861 IonicContact OD1-CZ 3.67Å; D845-R861 IonicContact OD1-NH1 3.03Å; D845-R861 IonicContact OD1-NH2 3.55Å; D845-R861 PolarHBondContact OD1-NH2 2.95Å; D845-R861 IonicContact OD2-CZ 3.66Å; D845-R861 VanDerWaalsContact OD2-CZ 3.3Å; D845-R861 IonicContact OD2-NH1 2.69Å; D845-R861 PolarHBondContact OD2-NH1 3.25Å; D845-R861 IonicContact OD2-NH2 4Å; D845-R861 PolarHBondContact OD2-NH2 2.94Å; D845-R882 VanDerWaalsContact CB-NH2 3.31Å; D845-R882 IonicContact OD2-CZ 3.53Å; D845-R882 IonicContact OD2-NE 3.71Å; D845-R882 PolarHBondContact OD2-NE 3.14Å; D845-R882 IonicContact OD2-NH1 3.32Å; D845-R882 IonicContact OD2-NH2 2.71Å; D845-R882 PolarHBondContact OD2-NH2 3.46Å; D845-R882 VanDerWaalsContact OD2-NH2 3.08Å
846V71.8Confident67.5Low24 Ų2472.6 Ų72.615%0.14541%0.411CS..Hα-helixtrans-46.8-37.9-168.2-177.40000113.1Y835 H838 Q844 A849 I850Y835-V846 HydrophobicContact CD2-CG1 3.88Å; Y835-V846 HydrophobicContact CE2-CG1 4.15Å; H838-V846 HydrophobicContact CB-CG1 4.07Å; Q844-V846 PolarHBondContact O-N 2.8Å; Q844-V846 VanDerWaalsContact O-N 3.12Å; V846-A849 PolarHBondContact O-N 2.94Å; V846-I850 HydrophobicContact CG1-CD1 3.93Å; V846-I850 VanDerWaalsContact O-CG1 3.27Å; V846-I850 WeakPolarHBondContact O-CG1 3.23Å; V846-I850 PolarHBondContact O-N 3.1Å
847V71.1Confident66.8Low0 Ų070 Ų700%040%0.4CS..Hα-helixtrans-75.2-28.6-177.7-165.80000112D845 L851 R861 I864 I865 F880D845-V847 PolarHBondContact O-N 3.45Å; V847-L851 HydrophobicContact CG1-CD1 4.49Å; V847-L851 WeakPolarHBondContact O-CB 3.43Å; V847-L851 WeakPolarHBondContact O-CD1 3.43Å; V847-L851 VanDerWaalsContact O-CG 3.22Å; V847-L851 WeakPolarHBondContact O-CG 3.43Å; V847-L851 PolarHBondContact O-N 3.22Å; V847-R861 HydrophobicContact CB-CG 4.22Å; V847-R861 HydrophobicContact CG1-CB 4.48Å; V847-R861 HydrophobicContact CG1-CG 3.65Å; V847-I864 HydrophobicContact CG1-CB 4.07Å; V847-I864 HydrophobicContact CG1-CG2 3.85Å; V847-I865 HydrophobicContact CG1-CG1 4.18Å; V847-I865 HydrophobicContact CG2-CD1 4.24Å; V847-I865 HydrophobicContact CG2-CG1 3.82Å; V847-F880 HydrophobicContact CG2-CB 3.99Å; V847-F880 HydrophobicContact CG2-CD1 3.4Å; V847-F880 HydrophobicContact CG2-CE1 4.05Å; V847-F880 HydrophobicContact CG2-CG 3.83Å
848E72.8Confident66Low81 Ų8173.2 Ų73.238%0.37942%0.415SS..Hα-helixtrans-74.8-36172.2-67.9-177.6176.100111.5D845 L851 A852 R861 R882D845-E848 HydrophobicContact CB-CB 4.38Å; D845-E848 HydrophobicContact CB-CG 4.45Å; D845-E848 WeakPolarHBondContact O-CA 3.28Å; D845-E848 WeakPolarHBondContact O-CB 3.38Å; D845-E848 PolarHBondContact O-N 2.97Å; E848-L851 PolarHBondContact O-N 3.01Å; E848-A852 PolarHBondContact O-N 3.27Å; E848-R861 IonicContact OE1-NH1 2.82Å; E848-R861 PolarHBondContact OE1-NH1 3.31Å; E848-R882 VanDerWaalsContact CD-NH1 3.26Å; E848-R882 IonicContact OE1-CZ 3.13Å; E848-R882 IonicContact OE1-NH1 2.75Å; E848-R882 PolarHBondContact OE1-NH1 3.35Å; E848-R882 IonicContact OE1-NH2 2.92Å; E848-R882 IonicContact OE2-CZ 3.82Å; E848-R882 VanDerWaalsContact OE2-CZ 3.32Å; E848-R882 IonicContact OE2-NH1 3.1Å; E848-R882 PolarHBondContact OE2-NH1 3.19Å; E848-R882 VanDerWaalsContact OE2-NH1 3.1Å; E848-R882 IonicContact OE2-NH2 3.03Å; E848-R882 PolarHBondContact OE2-NH2 3.41Å
849A70.6Confident66.1Low12 Ų1272.7 Ų72.710%0.09941%0.412CS..Hα-helixtrans-62.4-45.4170.700000111.6H838 D845 V846 L851 A852 H853H838-A849 HydrophobicContact CB-CB 4.42Å; D845-A849 PolarHBondContact O-N 3.12Å; D845-A849 VanDerWaalsContact O-N 3.14Å; V846-A849 PolarHBondContact O-N 2.94Å; A849-L851 PolarHBondContact O-N 3.38Å; A849-A852 PolarHBondContact O-N 2.98Å; A849-H853 PolarHBondContact O-N 3.06Å; A849-H853 PolarHBondContact O-ND1 3.03Å
850I74.3Confident66.4Low0 Ų071 Ų710%041%0.411CS..Hα-helixtrans-60.9-44.7174.1-69.5166.5000111.1L831 L834 Y835 V846 A852 H853 L854 I864 L868L831-I850 HydrophobicContact CD1-CD1 4.47Å; L831-I850 HydrophobicContact CD1-CG2 3.62Å; L834-I850 HydrophobicContact CB-CG1 4.13Å; Y835-I850 HydrophobicContact CD2-CD1 4.21Å; V846-I850 HydrophobicContact CG1-CD1 3.93Å; V846-I850 VanDerWaalsContact O-CG1 3.27Å; V846-I850 WeakPolarHBondContact O-CG1 3.23Å; V846-I850 PolarHBondContact O-N 3.1Å; I850-A852 VanDerWaalsContact C-N 3.3Å; I850-A852 PolarHBondContact O-N 3.41Å; I850-H853 PolarHBondContact O-N 3.4Å; I850-L854 HydrophobicContact CG2-CD1 3.56Å; I850-L854 HydrophobicContact CG2-CG 4.19Å; I850-L854 WeakPolarHBondContact O-CG 3.47Å; I850-L854 PolarHBondContact O-N 3.48Å; I850-I864 HydrophobicContact CG2-CD1 4.23Å; I850-I864 HydrophobicContact CG2-CG2 4.11Å; I850-L868 HydrophobicContact CD1-CD1 4.16Å
851L75.1Confident67Low56 Ų5667.2 Ų67.229%0.29339%0.386SS..Hα-helixtrans-59.7-36.4177.7-81.6164.6000113V847 E848 A849 H853 R859 R861 I864V847-L851 HydrophobicContact CG1-CD1 4.49Å; V847-L851 WeakPolarHBondContact O-CB 3.43Å; V847-L851 WeakPolarHBondContact O-CD1 3.43Å; V847-L851 VanDerWaalsContact O-CG 3.22Å; V847-L851 WeakPolarHBondContact O-CG 3.43Å; V847-L851 PolarHBondContact O-N 3.22Å; E848-L851 PolarHBondContact O-N 3.01Å; A849-L851 PolarHBondContact O-N 3.38Å; L851-H853 VanDerWaalsContact C-N 3.29Å; L851-H853 PolarHBondContact O-N 3.39Å; L851-R859 WeakPolarHBondContact CD2-O 3.22Å; L851-R861 HydrophobicContact CD1-CB 4.21Å; L851-I864 HydrophobicContact CD2-CD1 3.42Å; L851-I864 VanDerWaalsContact CD2-CD1 3.42Å; L851-I864 HydrophobicContact CG-CD1 3.63Å
852A72.8Confident67.1Low59 Ų5971.2 Ų71.249%0.48840%0.398SS..Hα-helixtrans-70.9-19.517900000114.3E848 A849 I850 N855E848-A852 PolarHBondContact O-N 3.27Å; A849-A852 PolarHBondContact O-N 2.98Å; I850-A852 VanDerWaalsContact C-N 3.3Å; I850-A852 PolarHBondContact O-N 3.41Å; A852-N855 PolarHBondContact O-ND2 3.35Å; A852-N855 PolarHBondContact O-OD1 3.43Å
853H68.8Low68.5Low90 Ų9064.5 Ų64.542%0.41737%0.367SS..Hα-helixtrans-106.3-9.3-177.1-64.798.7000114.2R830 L834 H838 A849 I850 L851 N855R830-H853 PolarHBondContact NH2-O 3.11Å; L834-H853 HydrophobicContact CD1-CB 3.94Å; L834-H853 HydrophobicContact CD2-CB 3.81Å; H838-H853 AromaticContact NE2-CE1 3.79Å; H838-H853 AromaticContact NE2-ND1 3.73Å; A849-H853 PolarHBondContact O-N 3.06Å; A849-H853 PolarHBondContact O-ND1 3.03Å; I850-H853 PolarHBondContact O-N 3.4Å; L851-H853 VanDerWaalsContact C-N 3.29Å; L851-H853 PolarHBondContact O-N 3.39Å; H853-N855 PolarHBondContact O-N 3.19Å
854L72.4Confident69.4Low15 Ų1560.4 Ų60.48%0.07932%0.324CS..  trans-93.153.2176.6-71178.5000112.8W823 L831 L834 I850 T856 I864W823-L854 HydrophobicContact CH2-CD1 4.38Å; L831-L854 HydrophobicContact CD1-CD1 4.27Å; L834-L854 HydrophobicContact CD1-CD2 3.93Å; L834-L854 HydrophobicContact CD1-CG 4.11Å; I850-L854 HydrophobicContact CG2-CD1 3.56Å; I850-L854 HydrophobicContact CG2-CG 4.19Å; I850-L854 WeakPolarHBondContact O-CG 3.47Å; I850-L854 PolarHBondContact O-N 3.48Å; L854-T856 PolarHBondContact O-N 3.19Å; L854-I864 HydrophobicContact CD1-CD1 4.28Å
855N57.6Low70.3Confident135 Ų13555.3 Ų55.372%0.72230%0.301SS*.THydrogen-bonded Turntrans-74.614.5-171.4-66.2-44.4000116.2A852 H853A852-N855 PolarHBondContact O-ND2 3.35Å; A852-N855 PolarHBondContact O-OD1 3.43Å; H853-N855 PolarHBondContact O-N 3.19Å
856T60.5Low70.4Confident99 Ų9957.6 Ų57.661%0.60731%0.31SS*.THydrogen-bonded Turntrans-95.7-32.2-179.542.70000114.3L854L854-T856 PolarHBondContact O-N 3.19Å
857V61Low70.6Confident52 Ų5258.7 Ų58.732%0.31531%0.313SS..SBendtrans-146130.6178.5-175.90000109.3R859V857-R859 PolarHBondContact O-N 2.83Å
858P59.5Low70.9Confident132 Ų13258.7 Ų58.786%0.85731%0.313SS*.  trans-69.692.617828.5-34.6000111.5
859R72.3Confident71.1Confident23 Ų2357 Ų579%0.08731%0.309CS..  trans-87155.6172.6-49-51.8-167.9132.1-2110.5P821 E827 L851 V857 I864P821-R859 PolarHBondContact O-NH1 3.1Å; E827-R859 IonicContact OE1-CZ 3.67Å; E827-R859 IonicContact OE1-NE 3.42Å; E827-R859 IonicContact OE1-NH2 3.78Å; E827-R859 PolarHBondContact OE1-NH2 3.26Å; E827-R859 IonicContact OE2-NH2 2.99Å; L851-R859 WeakPolarHBondContact CD2-O 3.22Å; V857-R859 PolarHBondContact O-N 2.83Å; R859-I864 HydrophobicContact CB-CD1 4.34Å; R859-I864 HydrophobicContact CB-CG1 4.33Å
860T73.3Confident71.5Confident74 Ų7462.7 Ų62.745%0.45433%0.333SS..  trans-97.2152.2176.764.30000112.5K862 Q863 I864T860-K862 VanDerWaalsContact C-N 3.27Å; T860-K862 PolarHBondContact O-N 3.14Å; T860-Q863 WeakPolarHBondContact O-CB 3.48Å; T860-Q863 PolarHBondContact O-N 3.08Å; T860-Q863 WeakPolarHBondContact OG1-CG 3.3Å; T860-Q863 PolarHBondContact OG1-OE1 2.92Å; T860-I864 PolarHBondContact O-N 3.48Å
861R71.2Confident71.5Confident61 Ų6164.7 Ų64.723%0.2334%0.344CS..Hα-helixtrans-50.3-43178.6-167.9179.1171.7128.94.6112.7D845 V847 E848 L851 I864 I865 F880D845-R861 VanDerWaalsContact CG-NH2 3.26Å; D845-R861 IonicContact OD1-CZ 3.67Å; D845-R861 IonicContact OD1-NH1 3.03Å; D845-R861 IonicContact OD1-NH2 3.55Å; D845-R861 PolarHBondContact OD1-NH2 2.95Å; D845-R861 IonicContact OD2-CZ 3.66Å; D845-R861 VanDerWaalsContact OD2-CZ 3.3Å; D845-R861 IonicContact OD2-NH1 2.69Å; D845-R861 PolarHBondContact OD2-NH1 3.25Å; D845-R861 IonicContact OD2-NH2 4Å; D845-R861 PolarHBondContact OD2-NH2 2.94Å; V847-R861 HydrophobicContact CB-CG 4.22Å; V847-R861 HydrophobicContact CG1-CB 4.48Å; V847-R861 HydrophobicContact CG1-CG 3.65Å; E848-R861 IonicContact OE1-NH1 2.82Å; E848-R861 PolarHBondContact OE1-NH1 3.31Å; L851-R861 HydrophobicContact CD1-CB 4.21Å; R861-I864 PolarHBondContact O-N 3.21Å; R861-I865 HydrophobicContact CG-CD1 3.95Å; R861-I865 WeakPolarHBondContact O-CD1 3.49Å; R861-I865 WeakPolarHBondContact O-CG1 3.42Å; R861-I865 PolarHBondContact O-N 3.11Å; R861-I865 VanDerWaalsContact O-N 3.1Å; R861-F880 PolarHBondContact NH2-O 3.18Å
862K71.5Confident71.3Confident147 Ų14765.1 Ų65.164%0.63936%0.361SS*.Hα-helixtrans-65.4-36.9178.3-173.4172-178.11780113T860 H866T860-K862 VanDerWaalsContact C-N 3.27Å; T860-K862 PolarHBondContact O-N 3.14Å; K862-H866 PolarHBondContact O-CD2 2.91Å; K862-H866 PolarHBondContact O-N 3.39Å
863Q74.9Confident71.3Confident57 Ų5764.1 Ų64.127%0.26635%0.348SS..Hα-helixtrans-68.5-39.1178.4-73.8162.4-34.900112T860 H867T860-Q863 WeakPolarHBondContact O-CB 3.48Å; T860-Q863 PolarHBondContact O-N 3.08Å; T860-Q863 WeakPolarHBondContact OG1-CG 3.3Å; T860-Q863 PolarHBondContact OG1-OE1 2.92Å; Q863-H867 PolarHBondContact O-N 3Å; Q863-H867 VanDerWaalsContact O-N 3.08Å
864I76.8Confident71.4Confident0 Ų060.1 Ų60.10%033%0.33CS..Hα-helixtrans-65.8-47.3175.8-66.7167.6000110.2W823 L831 V847 I850 L851 L854 R859 T860 R861 H866 H867 L868W823-I864 HydrophobicContact CH2-CG1 4.2Å; W823-I864 HydrophobicContact CZ2-CG1 4.37Å; L831-I864 HydrophobicContact CD1-CG2 4.05Å; V847-I864 HydrophobicContact CG1-CB 4.07Å; V847-I864 HydrophobicContact CG1-CG2 3.85Å; I850-I864 HydrophobicContact CG2-CD1 4.23Å; I850-I864 HydrophobicContact CG2-CG2 4.11Å; L851-I864 HydrophobicContact CD2-CD1 3.42Å; L851-I864 VanDerWaalsContact CD2-CD1 3.42Å; L851-I864 HydrophobicContact CG-CD1 3.63Å; L854-I864 HydrophobicContact CD1-CD1 4.28Å; R859-I864 HydrophobicContact CB-CD1 4.34Å; R859-I864 HydrophobicContact CB-CG1 4.33Å; T860-I864 PolarHBondContact O-N 3.48Å; R861-I864 PolarHBondContact O-N 3.21Å; I864-H866 PolarHBondContact O-N 3.1Å; I864-H867 PolarHBondContact O-N 3.47Å; I864-H867 VanDerWaalsContact O-N 3.17Å; I864-L868 HydrophobicContact CG2-CD1 3.93Å; I864-L868 HydrophobicContact CG2-CG 4.24Å; I864-L868 WeakPolarHBondContact O-CG 3.4Å; I864-L868 PolarHBondContact O-N 2.67Å
865I76.3Confident71.1Confident14 Ų1466.9 Ų66.97%0.07237%0.366CS..Hα-helixtrans-60.4-45.6179-65.9162.4000111.3V847 R861 H867 L868 V869 V877 F880V847-I865 HydrophobicContact CG1-CG1 4.18Å; V847-I865 HydrophobicContact CG2-CD1 4.24Å; V847-I865 HydrophobicContact CG2-CG1 3.82Å; R861-I865 HydrophobicContact CG-CD1 3.95Å; R861-I865 WeakPolarHBondContact O-CD1 3.49Å; R861-I865 WeakPolarHBondContact O-CG1 3.42Å; R861-I865 PolarHBondContact O-N 3.11Å; R861-I865 VanDerWaalsContact O-N 3.1Å; I865-H867 VanDerWaalsContact C-N 3.33Å; I865-H867 PolarHBondContact O-N 2.98Å; I865-L868 PolarHBondContact O-N 2.83Å; I865-V869 WeakPolarHBondContact O-CG2 3.37Å; I865-V869 PolarHBondContact O-N 3.5Å; I865-V869 VanDerWaalsContact O-N 3.1Å; I865-V877 HydrophobicContact CG2-CB 4.16Å; I865-V877 HydrophobicContact CG2-CG1 3.91Å; I865-V877 HydrophobicContact CG2-CG2 4.16Å; I865-F880 HydrophobicContact CB-CD2 4.45Å; I865-F880 HydrophobicContact CD1-CB 3.62Å; I865-F880 HydrophobicContact CD1-CG 4.36Å; I865-F880 HydrophobicContact CG1-CB 3.83Å; I865-F880 HydrophobicContact CG1-CD2 4.07Å; I865-F880 HydrophobicContact CG1-CG 4.02Å; I865-F880 HydrophobicContact CG2-CB 4.46Å; I865-F880 HydrophobicContact CG2-CD2 3.73Å; I865-F880 HydrophobicContact CG2-CE2 4.42Å; I865-F880 HydrophobicContact CG2-CG 4.43Å
866H74.1Confident71.4Confident79 Ų7962.4 Ų62.437%0.36635%0.346SS..Hα-helixtrans-60.6-39.9175.3-93.5-84.7000112.8K862 I864 V869 Q870K862-H866 PolarHBondContact O-CD2 2.91Å; K862-H866 PolarHBondContact O-N 3.39Å; I864-H866 PolarHBondContact O-N 3.1Å; H866-V869 PolarHBondContact O-N 3.42Å; H866-Q870 WeakPolarHBondContact O-CB 3.45Å; H866-Q870 VanDerWaalsContact O-CG 3.25Å; H866-Q870 WeakPolarHBondContact O-CG 3.46Å; H866-Q870 PolarHBondContact O-N 2.96Å
867H75.5Confident71.5Confident46 Ų4660 Ų6021%0.21333%0.331CS..Hα-helixtrans-71.3-35.4177-97.8-94.9000113.4W823 L831 Q863 I864 I865 V869 Q870 L871W823-H867 AromaticContact CD1-CD2 3.61Å; W823-H867 AromaticContact CD1-CE1 3.18Å; W823-H867 AromaticContact CD1-CG 3.77Å; W823-H867 AromaticContact CD1-ND1 3.52Å; W823-H867 AromaticContact CD1-NE2 3.2Å; W823-H867 AromaticContact CE2-CG 3.81Å; W823-H867 AromaticContact CG-CE1 3.85Å; W823-H867 AromaticContact CG-ND1 3.91Å; W823-H867 HydrophobicContact CZ2-CB 4.24Å; W823-H867 AromaticContact NE1-CD2 3.16Å; W823-H867 PolarHBondContact NE1-CD2 3.46Å; W823-H867 AromaticContact NE1-CE1 3.59Å; W823-H867 AromaticContact NE1-CG 3.36Å; W823-H867 AromaticContact NE1-ND1 3.62Å; W823-H867 AromaticContact NE1-NE2 3.28Å; W823-H867 PolarHBondContact NE1-NE2 3Å; L831-H867 HydrophobicContact CD2-CB 4.27Å; Q863-H867 PolarHBondContact O-N 3Å; Q863-H867 VanDerWaalsContact O-N 3.08Å; I864-H867 PolarHBondContact O-N 3.47Å; I864-H867 VanDerWaalsContact O-N 3.17Å; I865-H867 VanDerWaalsContact C-N 3.33Å; I865-H867 PolarHBondContact O-N 2.98Å; H867-V869 VanDerWaalsContact C-N 3.3Å; H867-V869 PolarHBondContact O-N 3.09Å; H867-Q870 PolarHBondContact CD2-OE1 2.83Å; H867-Q870 PolarHBondContact NE2-OE1 3.41Å; H867-Q870 PolarHBondContact O-N 3.37Å; H867-L871 VanDerWaalsContact O-CB 3.31Å; H867-L871 WeakPolarHBondContact O-CB 3.2Å; H867-L871 VanDerWaalsContact O-CG 3.23Å; H867-L871 WeakPolarHBondContact O-CG 3.35Å; H867-L871 PolarHBondContact O-N 3.23Å
868L77.3Confident71.5Confident0 Ų065.4 Ų65.40%035%0.35CS..Hα-helixtrans-62.2-39.1173.7-69.3173.5000111.7L831 Y835 I850 I864 I865 G872 L873 F880L831-L868 HydrophobicContact CD1-CD2 4.19Å; L831-L868 HydrophobicContact CD2-CD2 3.99Å; L831-L868 HydrophobicContact CD2-CG 4.44Å; L831-L868 HydrophobicContact CG-CD2 3.87Å; Y835-L868 HydrophobicContact CD2-CD1 3.84Å; Y835-L868 HydrophobicContact CD2-CD2 3.95Å; Y835-L868 HydrophobicContact CE2-CD1 4.3Å; Y835-L868 HydrophobicContact CG-CD2 3.84Å; I850-L868 HydrophobicContact CD1-CD1 4.16Å; I864-L868 HydrophobicContact CG2-CD1 3.93Å; I864-L868 HydrophobicContact CG2-CG 4.24Å; I864-L868 WeakPolarHBondContact O-CG 3.4Å; I864-L868 PolarHBondContact O-N 2.67Å; I865-L868 PolarHBondContact O-N 2.83Å; L868-G872 PolarHBondContact O-N 3.46Å; L868-L873 HydrophobicContact CD2-CD1 3.73Å; L868-L873 PolarHBondContact O-N 2.94Å; L868-F880 HydrophobicContact CD1-CE1 4.46Å; L868-F880 HydrophobicContact CD1-CZ 4.07Å
869V78.1Confident71.6Confident47 Ų4764.1 Ų64.129%0.28534%0.336SS..Hα-helixtrans-69.8-44.9173.8176.30000111.3I865 H866 H867 L871 G872 V877I865-V869 WeakPolarHBondContact O-CG2 3.37Å; I865-V869 PolarHBondContact O-N 3.5Å; I865-V869 VanDerWaalsContact O-N 3.1Å; H866-V869 PolarHBondContact O-N 3.42Å; H867-V869 VanDerWaalsContact C-N 3.3Å; H867-V869 PolarHBondContact O-N 3.09Å; V869-L871 PolarHBondContact O-N 3.1Å; V869-G872 PolarHBondContact O-N 3.26Å; V869-V877 HydrophobicContact CG2-CG2 4.35Å
870Q77.8Confident71.2Confident130 Ų13063.9 Ų63.961%0.60734%0.336SS*.Hα-helixtrans-63.4-26.9176.2-75.8171.9-27.300113.6H866 H867 G872H866-Q870 WeakPolarHBondContact O-CB 3.45Å; H866-Q870 VanDerWaalsContact O-CG 3.25Å; H866-Q870 WeakPolarHBondContact O-CG 3.46Å; H866-Q870 PolarHBondContact O-N 2.96Å; H867-Q870 PolarHBondContact CD2-OE1 2.83Å; H867-Q870 PolarHBondContact NE2-OE1 3.41Å; H867-Q870 PolarHBondContact O-N 3.37Å; Q870-G872 VanDerWaalsContact C-N 3.31Å
871L74.2Confident70.3Confident43 Ų4366.9 Ų66.923%0.22535%0.345CS..THydrogen-bonded Turntrans-86.32.7173.6-67.5-172.7000113.7E828 L831 R832 H867 V869 L873E828-L871 HydrophobicContact CB-CD1 4.36Å; E828-L871 HydrophobicContact CG-CD1 4.46Å; L831-L871 HydrophobicContact CD2-CD1 4.4Å; R832-L871 HydrophobicContact CG-CD1 4.34Å; H867-L871 VanDerWaalsContact O-CB 3.31Å; H867-L871 WeakPolarHBondContact O-CB 3.2Å; H867-L871 VanDerWaalsContact O-CG 3.23Å; H867-L871 WeakPolarHBondContact O-CG 3.35Å; H867-L871 PolarHBondContact O-N 3.23Å; V869-L871 PolarHBondContact O-N 3.1Å; L871-L873 VanDerWaalsContact C-N 3.27Å; L871-L873 HydrophobicContact CB-CD1 4.35Å; L871-L873 HydrophobicContact CB-CG 4.23Å; L871-L873 PolarHBondContact O-N 3.05Å
872G71.2Confident69.3Low64 Ų6471.2 Ų71.266%0.6636%0.361SS*.THydrogen-bonded Turntrans65.825.1179.300000114.2L868 V869 Q870L868-G872 PolarHBondContact O-N 3.46Å; V869-G872 PolarHBondContact O-N 3.26Å; Q870-G872 VanDerWaalsContact C-N 3.31Å
873L72.4Confident68.2Low38 Ų3874 Ų7420%0.19937%0.373CS..SBendtrans-90-20-180-67.2177000113.5R832 Y835 L868 L871R832-L873 HydrophobicContact CB-CD1 4.44Å; R832-L873 HydrophobicContact CG-CD1 3.96Å; Y835-L873 HydrophobicContact CD1-CB 3.83Å; Y835-L873 HydrophobicContact CD1-CD1 3.94Å; Y835-L873 HydrophobicContact CD1-CD2 4.43Å; Y835-L873 HydrophobicContact CD1-CG 4.31Å; Y835-L873 HydrophobicContact CE1-CB 3.76Å; Y835-L873 VanDerWaalsContact CE1-O 3.28Å; Y835-L873 WeakPolarHBondContact CE1-O 3.43Å; Y835-L873 HydrophobicContact CG-CD1 4.34Å; Y835-L873 PolarHBondContact OH-O 3.01Å; L868-L873 HydrophobicContact CD2-CD1 3.73Å; L868-L873 PolarHBondContact O-N 2.94Å; L871-L873 VanDerWaalsContact C-N 3.27Å; L871-L873 HydrophobicContact CB-CD1 4.35Å; L871-L873 HydrophobicContact CB-CG 4.23Å; L871-L873 PolarHBondContact O-N 3.05Å
874A71.1Confident66.3Low6 Ų674.7 Ų74.75%0.0540%0.396CS..SBendtrans-146.6142.1178.300000110F880A874-F880 HydrophobicContact CB-CE2 3.49Å; A874-F880 VanDerWaalsContact CB-CE2 3.49Å; A874-F880 HydrophobicContact CB-CZ 3.62Å
875D65.9Low64.2Low157 Ų15779.9 Ų79.984%0.8443%0.428SS*.SBendtrans-81.1-24.1-166.2-56.3-54.4000112.8
876S64.7Low62.3Low41 Ų4188.1 Ų88.129%0.28747%0.465SS..  trans-153155.2176.8-161.60000114.7K878 D879S876-K878 PolarHBondContact O-N 3.41Å; S876-K878 VanDerWaalsContact O-N 3.12Å; S876-K878 PolarHBondContact OG-N 3.42Å; S876-D879 PolarHBondContact O-N 2.98Å
877V63.1Low60.9Low50 Ų5088.7 Ų88.730%0.30347%0.47SS..G310 helixtrans-57.8-21.9167.5-179.30000111.8I865 V869 D879I865-V877 HydrophobicContact CG2-CB 4.16Å; I865-V877 HydrophobicContact CG2-CG1 3.91Å; I865-V877 HydrophobicContact CG2-CG2 4.16Å; V869-V877 HydrophobicContact CG2-CG2 4.35Å; V877-D879 PolarHBondContact O-N 2.99Å
878K60.5Low59.7Low165 Ų16591.1 Ų91.172%0.71749%0.488SS*.G310 helixtrans-67.1-28.9-178.6-65172.4-177.7171.30113.2S876 F880S876-K878 PolarHBondContact O-N 3.41Å; S876-K878 VanDerWaalsContact O-N 3.12Å; S876-K878 PolarHBondContact OG-N 3.42Å; K878-F880 PolarHBondContact O-N 3.15Å
879D61.2Low58.6Low105 Ų10597.6 Ų97.656%0.56152%0.522SS*.G310 helixtrans-65.4-23.4-177.8-66-22.6000113.8S876 V877S876-D879 PolarHBondContact O-N 2.98Å; V877-D879 PolarHBondContact O-N 2.99Å
880F65.1Low57.7Low17 Ų1797.5 Ų97.58%0.07552%0.516CS..G310 helixtrans-105.317.3-170.1-60.3-73.3000114.4Y835 V847 R861 I865 L868 A874 K878Y835-F880 AromaticContact CE2-CE1 3.97Å; Y835-F880 HydrophobicContact CE2-CE1 3.97Å; Y835-F880 AromaticContact CE2-CZ 3.77Å; Y835-F880 HydrophobicContact CE2-CZ 3.77Å; V847-F880 HydrophobicContact CG2-CB 3.99Å; V847-F880 HydrophobicContact CG2-CD1 3.4Å; V847-F880 HydrophobicContact CG2-CE1 4.05Å; V847-F880 HydrophobicContact CG2-CG 3.83Å; R861-F880 PolarHBondContact NH2-O 3.18Å; I865-F880 HydrophobicContact CB-CD2 4.45Å; I865-F880 HydrophobicContact CD1-CB 3.62Å; I865-F880 HydrophobicContact CD1-CG 4.36Å; I865-F880 HydrophobicContact CG1-CB 3.83Å; I865-F880 HydrophobicContact CG1-CD2 4.07Å; I865-F880 HydrophobicContact CG1-CG 4.02Å; I865-F880 HydrophobicContact CG2-CB 4.46Å; I865-F880 HydrophobicContact CG2-CD2 3.73Å; I865-F880 HydrophobicContact CG2-CE2 4.42Å; I865-F880 HydrophobicContact CG2-CG 4.43Å; L868-F880 HydrophobicContact CD1-CE1 4.46Å; L868-F880 HydrophobicContact CD1-CZ 4.07Å; A874-F880 HydrophobicContact CB-CE2 3.49Å; A874-F880 VanDerWaalsContact CB-CE2 3.49Å; A874-F880 HydrophobicContact CB-CZ 3.62Å; K878-F880 PolarHBondContact O-N 3.15Å
881Q54.6Low57.6Low138 Ų13894.4 Ų94.465%0.64551%0.507SS*.  trans-99118.8-177.8-61.6-168.66.700112.8
882R49Very low57.6Low152 Ų15294.9 Ų94.957%0.57452%0.522SS*.  trans-67.1130.7161.8-74.2-175.9175.31384.6109.5D845 E848 G884D845-R882 VanDerWaalsContact CB-NH2 3.31Å; D845-R882 IonicContact OD2-CZ 3.53Å; D845-R882 IonicContact OD2-NE 3.71Å; D845-R882 PolarHBondContact OD2-NE 3.14Å; D845-R882 IonicContact OD2-NH1 3.32Å; D845-R882 IonicContact OD2-NH2 2.71Å; D845-R882 PolarHBondContact OD2-NH2 3.46Å; D845-R882 VanDerWaalsContact OD2-NH2 3.08Å; E848-R882 VanDerWaalsContact CD-NH1 3.26Å; E848-R882 IonicContact OE1-CZ 3.13Å; E848-R882 IonicContact OE1-NH1 2.75Å; E848-R882 PolarHBondContact OE1-NH1 3.35Å; E848-R882 IonicContact OE1-NH2 2.92Å; E848-R882 IonicContact OE2-CZ 3.82Å; E848-R882 VanDerWaalsContact OE2-CZ 3.32Å; E848-R882 IonicContact OE2-NH1 3.1Å; E848-R882 PolarHBondContact OE2-NH1 3.19Å; E848-R882 VanDerWaalsContact OE2-NH1 3.1Å; E848-R882 IonicContact OE2-NH2 3.03Å; E848-R882 PolarHBondContact OE2-NH2 3.41Å; R882-G884 PolarHBondContact O-N 3.13Å
883K47.8Very low57.7Low205 Ų20598.1 Ų98.189%0.89152%0.524SS*.  trans-64.3100.8167.6-74.7-179.1177.1175.40109.2
884G36.4Very low58Low72 Ų7298.5 Ų98.574%0.74253%0.525SS*.  trans-128.139.8-162.800000115.7R882R882-G884 PolarHBondContact O-N 3.13Å
885T33Very low58.5Low109 Ų109100.7 Ų100.767%0.66953%0.534SS*.SBendtrans-135.9142.9169.854.30000109.4I887T885-I887 PolarHBondContact O-N 2.82Å
886H36.5Very low59.2Low187 Ų18797.2 Ų97.287%0.86652%0.515SS*.  trans-62.5101.1-174.1-147.6-97.9000111.5V888H886-V888 PolarHBondContact O-N 3.35Å
887I44.5Very low60.1Low90 Ų9097.1 Ų97.146%0.46251%0.51SS..  trans-80.7100.4177.9-61.3172.8000107.8T885 L889T885-I887 PolarHBondContact O-N 2.82Å; I887-L889 VanDerWaalsContact C-N 3.35Å; I887-L889 HydrophobicContact CG2-CD2 3.85Å; I887-L889 HydrophobicContact CG2-CG 4.27Å; I887-L889 PolarHBondContact O-N 2.94Å
888V48.8Very low61.2Low98 Ų9894.7 Ų94.759%0.59450%0.496SS*.  trans-66102.5155.7-178.20000106.3H886H886-V888 PolarHBondContact O-N 3.35Å
889L53.8Low62.3Low136 Ų13690.2 Ų90.271%0.71248%0.477SS*.PPolyproline II helixtrans-59.7142.7173.3-66.9168.3000108.8I887 T891I887-L889 VanDerWaalsContact C-N 3.35Å; I887-L889 HydrophobicContact CG2-CD2 3.85Å; I887-L889 HydrophobicContact CG2-CG 4.27Å; I887-L889 PolarHBondContact O-N 2.94Å; L889-T891 PolarHBondContact O-N 3.25Å
890W60.3Low63.4Low44 Ų4492.2 Ų92.217%0.16748%0.477CS..PPolyproline II helixtrans-67.5126.5166-72.689.5000107.8Q894 E895 L898 I919 K931W890-Q894 HydrophobicContact CE3-CB 3.89Å; W890-Q894 HydrophobicContact CZ3-CB 4.32Å; W890-Q894 WeakPolarHBondContact CZ3-O 3.38Å; W890-E895 HydrophobicContact CB-CG 3.62Å; W890-E895 WeakPolarHBondContact CB-OE1 3.45Å; W890-E895 HydrophobicContact CE3-CG 4.32Å; W890-E895 HydrophobicContact CG-CG 4.32Å; W890-L898 HydrophobicContact CH2-CB 4.47Å; W890-L898 HydrophobicContact CH2-CD2 3.69Å; W890-L898 HydrophobicContact CZ2-CD2 4.29Å; W890-L898 HydrophobicContact CZ3-CB 4Å; W890-L898 HydrophobicContact CZ3-CD2 3.88Å; W890-I919 HydrophobicContact CH2-CD1 3.96Å; W890-I919 HydrophobicContact CZ3-CD1 4.02Å; W890-K931 HydrophobicContact CD2-CG 4.04Å; W890-K931 HydrophobicContact CG-CD 4.42Å; W890-K931 HydrophobicContact CG-CG 4.38Å; W890-K931 HydrophobicContact CZ2-CB 4Å; W890-K931 HydrophobicContact CZ2-CG 4.04Å
891T76.5Confident64.4Low66 Ų6692.1 Ų92.141%0.40548%0.477SS..PPolyproline II helixtrans-81.4153167.857.70000109L889 D893 Q894 E895L889-T891 PolarHBondContact O-N 3.25Å; T891-D893 PolarHBondContact O-N 2.86Å; T891-D893 VanDerWaalsContact O-N 3.13Å; T891-Q894 WeakPolarHBondContact O-CB 3.49Å; T891-Q894 PolarHBondContact O-N 3Å; T891-Q894 WeakPolarHBondContact OG1-CG 3.5Å; T891-E895 PolarHBondContact O-N 2.87Å
892G73.8Confident65.7Low53 Ų5386.1 Ų86.155%0.54645%0.449SS..Hα-helixtrans-53.1-38.1-179.600000112.8Q894 E895 L896G892-Q894 VanDerWaalsContact C-N 3.34Å; G892-Q894 PolarHBondContact O-N 3.12Å; G892-E895 PolarHBondContact O-N 3.44Å; G892-L896 WeakPolarHBondContact O-CB 3.48Å; G892-L896 PolarHBondContact O-N 2.86Å
893D73.3Confident67.2Low132 Ų13283.9 Ų83.971%0.70645%0.445SS*.Hα-helixtrans-63.3-36.9176.8-43.7-72.9000112.7T891 L896 E897T891-D893 PolarHBondContact O-N 2.86Å; T891-D893 VanDerWaalsContact O-N 3.13Å; D893-L896 PolarHBondContact O-N 3.16Å; D893-E897 VanDerWaalsContact O-CB 3.25Å; D893-E897 WeakPolarHBondContact O-CB 3.46Å; D893-E897 PolarHBondContact O-N 2.87Å
894Q77.6Confident68.8Low45 Ų4580.3 Ų80.321%0.2143%0.431CS..Hα-helixtrans-77.8-27.5177.3-70.6175-2.200112.9W890 T891 G892 L898 R923W890-Q894 HydrophobicContact CE3-CB 3.89Å; W890-Q894 HydrophobicContact CZ3-CB 4.32Å; W890-Q894 WeakPolarHBondContact CZ3-O 3.38Å; T891-Q894 WeakPolarHBondContact O-CB 3.49Å; T891-Q894 PolarHBondContact O-N 3Å; T891-Q894 WeakPolarHBondContact OG1-CG 3.5Å; G892-Q894 VanDerWaalsContact C-N 3.34Å; G892-Q894 PolarHBondContact O-N 3.12Å; Q894-L898 VanDerWaalsContact O-CB 3.32Å; Q894-L898 WeakPolarHBondContact O-CB 3.46Å; Q894-L898 PolarHBondContact O-N 3.32Å; Q894-R923 VanDerWaalsContact OE1-CZ 3.3Å
895E82.1Confident70.8Confident53 Ų5378.9 Ų78.925%0.24841%0.405CS..Hα-helixtrans-70.3-38.7170.7-58.2-166.517400110.5W890 T891 G892 L898 Q899 K931 L935W890-E895 HydrophobicContact CB-CG 3.62Å; W890-E895 WeakPolarHBondContact CB-OE1 3.45Å; W890-E895 HydrophobicContact CE3-CG 4.32Å; W890-E895 HydrophobicContact CG-CG 4.32Å; T891-E895 PolarHBondContact O-N 2.87Å; G892-E895 PolarHBondContact O-N 3.44Å; E895-L898 PolarHBondContact O-N 3.22Å; E895-Q899 WeakPolarHBondContact O-CB 3.26Å; E895-Q899 PolarHBondContact O-N 2.97Å; E895-K931 WeakPolarHBondContact OE1-CE 3.4Å; E895-K931 IonicContact OE1-NZ 3.79Å; E895-K931 PolarHBondContact OE1-NZ 3.33Å; E895-K931 WeakPolarHBondContact OE2-CE 2.95Å; E895-K931 IonicContact OE2-NZ 2.77Å; E895-K931 PolarHBondContact OE2-NZ 3.38Å; E895-L935 HydrophobicContact CB-CD1 4.47Å
896L81Confident72.8Confident83 Ų8378.1 Ų78.144%0.43539%0.394SS..Hα-helixtrans-75.4-33.6177.9-151.2155.6000111.9G892 D893 Q899 R900G892-L896 WeakPolarHBondContact O-CB 3.48Å; G892-L896 PolarHBondContact O-N 2.86Å; D893-L896 PolarHBondContact O-N 3.16Å; L896-Q899 PolarHBondContact O-N 2.64Å; L896-R900 HydrophobicContact CD2-CG 4.35Å; L896-R900 WeakPolarHBondContact O-CG 3.46Å; L896-R900 PolarHBondContact O-N 3.19Å
897E82.8Confident74.2Confident39 Ų3976.8 Ų76.818%0.18239%0.393CS..Hα-helixtrans-60.2-51.8166.3-179.7-171.3-169.800111.2D893 Q899 R900 L901 T920D893-E897 VanDerWaalsContact O-CB 3.25Å; D893-E897 WeakPolarHBondContact O-CB 3.46Å; D893-E897 PolarHBondContact O-N 2.87Å; E897-Q899 VanDerWaalsContact C-N 3.29Å; E897-Q899 PolarHBondContact O-N 2.92Å; E897-R900 PolarHBondContact O-N 3.04Å; E897-L901 HydrophobicContact CG-CD1 4.07Å; E897-L901 WeakPolarHBondContact O-CB 3.38Å; E897-L901 WeakPolarHBondContact O-CG 3.49Å; E897-L901 PolarHBondContact O-N 3.46Å; E897-T920 WeakPolarHBondContact OE1-CB 3.33Å; E897-T920 PolarHBondContact OE1-N 3.01Å; E897-T920 PolarHBondContact OE1-OG1 3.03Å
898L85.9Confident75.5Confident0 Ų073.9 Ų73.90%038%0.38CS..Hα-helixtrans-60.3-39.8176.7174.362.9000111.8W890 Q894 E895 F902 I915 I919 I928 K931 L932 L935W890-L898 HydrophobicContact CH2-CB 4.47Å; W890-L898 HydrophobicContact CH2-CD2 3.69Å; W890-L898 HydrophobicContact CZ2-CD2 4.29Å; W890-L898 HydrophobicContact CZ3-CB 4Å; W890-L898 HydrophobicContact CZ3-CD2 3.88Å; Q894-L898 VanDerWaalsContact O-CB 3.32Å; Q894-L898 WeakPolarHBondContact O-CB 3.46Å; Q894-L898 PolarHBondContact O-N 3.32Å; E895-L898 PolarHBondContact O-N 3.22Å; L898-F902 WeakPolarHBondContact O-CB 3.42Å; L898-F902 PolarHBondContact O-N 3.26Å; L898-I915 HydrophobicContact CD1-CD1 4.49Å; L898-I915 HydrophobicContact CD1-CG2 3.62Å; L898-I919 HydrophobicContact CD1-CD1 4.5Å; L898-I928 HydrophobicContact CD1-CG2 3.85Å; L898-K931 HydrophobicContact CD2-CB 4.14Å; L898-K931 HydrophobicContact CD2-CG 3.84Å; L898-L932 HydrophobicContact CD1-CD2 3.91Å; L898-L932 HydrophobicContact CD1-CG 4.31Å; L898-L932 HydrophobicContact CD2-CD2 3.98Å; L898-L932 HydrophobicContact CD2-CG 4.23Å; L898-L932 HydrophobicContact CG-CD2 3.77Å; L898-L932 HydrophobicContact CG-CG 4.43Å; L898-L935 HydrophobicContact CD2-CD1 4.31Å
899Q84.3Confident76.1Confident71 Ų7174 Ų7433%0.33238%0.378SS..Hα-helixtrans-62.8-48.9176.1178.6170.3-4.600111.4E895 L896 E897 L901 F902 E903 L937E895-Q899 WeakPolarHBondContact O-CB 3.26Å; E895-Q899 PolarHBondContact O-N 2.97Å; L896-Q899 PolarHBondContact O-N 2.64Å; E897-Q899 VanDerWaalsContact C-N 3.29Å; E897-Q899 PolarHBondContact O-N 2.92Å; Q899-L901 PolarHBondContact O-N 3.33Å; Q899-F902 PolarHBondContact O-N 2.98Å; Q899-E903 HydrophobicContact CG-CG 4.42Å; Q899-E903 WeakPolarHBondContact CG-OE1 3.45Å; Q899-E903 PolarHBondContact NE2-OE1 2.97Å; Q899-E903 WeakPolarHBondContact O-CG 3.45Å; Q899-E903 PolarHBondContact O-N 3.44Å; Q899-L937 HydrophobicContact CB-CD1 4.02Å; Q899-L937 HydrophobicContact CG-CD1 4.04Å; Q899-L937 HydrophobicContact CG-CD2 4.01Å
900R85.1Confident77.1Confident147 Ų14769.1 Ų69.156%0.55535%0.352SS*.Hα-helixtrans-59.2-47.8176-74.3176.1-172.9166.85.2112.1L896 E897 F902 E903 E904L896-R900 HydrophobicContact CD2-CG 4.35Å; L896-R900 WeakPolarHBondContact O-CG 3.46Å; L896-R900 PolarHBondContact O-N 3.19Å; E897-R900 PolarHBondContact O-N 3.04Å; R900-F902 PolarHBondContact O-N 2.76Å; R900-E903 PolarHBondContact O-N 2.95Å; R900-E904 VanDerWaalsContact O-CB 3.32Å; R900-E904 WeakPolarHBondContact O-CB 3.32Å; R900-E904 VanDerWaalsContact O-CG 3.27Å; R900-E904 WeakPolarHBondContact O-CG 3.37Å; R900-E904 PolarHBondContact O-N 3.09Å
901L84.8Confident77.8Confident15 Ų1567.4 Ų67.48%0.07935%0.347CS..Hα-helixtrans-62.7-32.8177.9-68.7172.6000112E897 Q899 F905 I915 N918 I919E897-L901 HydrophobicContact CG-CD1 4.07Å; E897-L901 WeakPolarHBondContact O-CB 3.38Å; E897-L901 WeakPolarHBondContact O-CG 3.49Å; E897-L901 PolarHBondContact O-N 3.46Å; Q899-L901 PolarHBondContact O-N 3.33Å; L901-F905 HydrophobicContact CD2-CD2 4.46Å; L901-F905 HydrophobicContact CD2-CE2 4.04Å; L901-F905 WeakPolarHBondContact O-CB 3.45Å; L901-F905 VanDerWaalsContact O-CD2 3.25Å; L901-F905 WeakPolarHBondContact O-CD2 3.3Å; L901-F905 PolarHBondContact O-N 3.29Å; L901-I915 HydrophobicContact CB-CG1 4.12Å; L901-N918 HydrophobicContact CD1-CB 4.39Å; L901-N918 HydrophobicContact CD2-CB 3.74Å; L901-I919 HydrophobicContact CD1-CB 3.9Å; L901-I919 HydrophobicContact CD1-CG1 4.3Å
902F82Confident77.9Confident12 Ų1264.3 Ų64.35%0.05333%0.328CS..Hα-helixtrans-70.2-44.9172.8177.4-101.8000112.4L898 Q899 R900 F905 Q906 V911 I915 L932 L937 V938 L944L898-F902 WeakPolarHBondContact O-CB 3.42Å; L898-F902 PolarHBondContact O-N 3.26Å; Q899-F902 PolarHBondContact O-N 2.98Å; R900-F902 PolarHBondContact O-N 2.76Å; F902-F905 PolarHBondContact O-N 2.86Å; F902-Q906 HydrophobicContact CE1-CG 4.4Å; F902-Q906 HydrophobicContact CZ-CG 4.18Å; F902-Q906 WeakPolarHBondContact O-CA 3.34Å; F902-Q906 WeakPolarHBondContact O-CB 3.45Å; F902-Q906 PolarHBondContact O-N 3.48Å; F902-V911 HydrophobicContact CD2-CG1 3.89Å; F902-V911 HydrophobicContact CE2-CG1 4.15Å; F902-I915 HydrophobicContact CB-CD1 4.09Å; F902-I915 HydrophobicContact CD2-CD1 4.15Å; F902-L932 HydrophobicContact CB-CD2 3.92Å; F902-L932 HydrophobicContact CD2-CD1 4.19Å; F902-L932 HydrophobicContact CD2-CD2 4.16Å; F902-L932 HydrophobicContact CG-CD2 4Å; F902-L937 HydrophobicContact CD1-CB 3.87Å; F902-L937 HydrophobicContact CD1-CD1 4.3Å; F902-L937 HydrophobicContact CD1-CG 4.45Å; F902-L937 HydrophobicContact CE1-CB 3.85Å; F902-L937 WeakPolarHBondContact CE1-O 3.36Å; F902-L937 WeakPolarHBondContact CZ-O 3.37Å; F902-V938 HydrophobicContact CE1-CG2 4.37Å; F902-V938 HydrophobicContact CE2-CG2 3.66Å; F902-V938 HydrophobicContact CZ-CG2 3.51Å; F902-L944 HydrophobicContact CD2-CD2 4.13Å; F902-L944 HydrophobicContact CE2-CD2 3.66Å
903E80.9Confident78.3Confident104 Ų10462.6 Ų62.649%0.48631%0.31SS..Hα-helixtrans-64.4-39.1177.1-71169.9-17400112.1Q899 R900Q899-E903 HydrophobicContact CG-CG 4.42Å; Q899-E903 WeakPolarHBondContact CG-OE1 3.45Å; Q899-E903 PolarHBondContact NE2-OE1 2.97Å; Q899-E903 WeakPolarHBondContact O-CG 3.45Å; Q899-E903 PolarHBondContact O-N 3.44Å; R900-E903 PolarHBondContact O-N 2.95Å
904E81.5Confident78.5Confident130 Ų13059.8 Ų59.861%0.60729%0.293SS*.Hα-helixtrans-69.5-35.8177.7-74.8170-159.500113.1R900R900-E904 VanDerWaalsContact O-CB 3.32Å; R900-E904 WeakPolarHBondContact O-CB 3.32Å; R900-E904 VanDerWaalsContact O-CG 3.27Å; R900-E904 WeakPolarHBondContact O-CG 3.37Å; R900-E904 PolarHBondContact O-N 3.09Å
905F79Confident78.7Confident43 Ų4357.7 Ų57.719%0.18928%0.283CS..Hα-helixtrans-1056.7-176.1-66.9-67.5000114.6L901 F902 D907 S908 V911 H914 N918L901-F905 HydrophobicContact CD2-CD2 4.46Å; L901-F905 HydrophobicContact CD2-CE2 4.04Å; L901-F905 WeakPolarHBondContact O-CB 3.45Å; L901-F905 VanDerWaalsContact O-CD2 3.25Å; L901-F905 WeakPolarHBondContact O-CD2 3.3Å; L901-F905 PolarHBondContact O-N 3.29Å; F902-F905 PolarHBondContact O-N 2.86Å; F905-D907 PolarHBondContact O-N 3.34Å; F905-D907 VanDerWaalsContact O-N 3.14Å; F905-S908 WeakPolarHBondContact O-CB 3.35Å; F905-S908 PolarHBondContact O-N 3.32Å; F905-S908 PolarHBondContact O-OG 3.06Å; F905-V911 HydrophobicContact CB-CG1 4.31Å; F905-V911 WeakPolarHBondContact O-CG2 3.24Å; F905-H914 HydrophobicContact CB-CB 4.04Å; F905-H914 HydrophobicContact CD1-CB 3.64Å; F905-H914 AromaticContact CD1-CG 3.79Å; F905-H914 HydrophobicContact CD2-CB 3.87Å; F905-H914 HydrophobicContact CE1-CB 4.07Å; F905-H914 HydrophobicContact CE2-CB 4.3Å; F905-H914 HydrophobicContact CG-CB 3.55Å; F905-H914 HydrophobicContact CZ-CB 4.4Å; F905-N918 HydrophobicContact CE2-CB 4.48Å; F905-N918 WeakPolarHBondContact CE2-ND2 3.44Å; F905-N918 WeakPolarHBondContact CZ-ND2 3.47Å
906Q73.6Confident78.6Confident93 Ų9358.2 Ų58.244%0.43529%0.286SS..THydrogen-bonded Turntrans-56.2-32.7-173.7-161.4175.91400114.8F902 K947F902-Q906 HydrophobicContact CE1-CG 4.4Å; F902-Q906 HydrophobicContact CZ-CG 4.18Å; F902-Q906 WeakPolarHBondContact O-CA 3.34Å; F902-Q906 WeakPolarHBondContact O-CB 3.45Å; F902-Q906 PolarHBondContact O-N 3.48Å; Q906-K947 PolarHBondContact O-NZ 2.99Å
907D66.7Low78.7Confident159 Ų15962.8 Ų62.885%0.8530%0.302SS*.THydrogen-bonded Turntrans-92.10.2179.7-75.7-32.3000114F905F905-D907 PolarHBondContact O-N 3.34Å; F905-D907 VanDerWaalsContact O-N 3.14Å
908S71.4Confident78.4Confident28 Ų2864.8 Ų64.820%0.19631%0.314CS..SBendtrans-81.1152.4178.272.80000113F905 D910 V911 H914F905-S908 WeakPolarHBondContact O-CB 3.35Å; F905-S908 PolarHBondContact O-N 3.32Å; F905-S908 PolarHBondContact O-OG 3.06Å; S908-D910 PolarHBondContact O-N 3.41Å; S908-V911 PolarHBondContact OG-N 3.38Å; S908-H914 PolarHBondContact OG-CD2 3.31Å
909D61.3Low78.3Confident101 Ų10165.2 Ų65.254%0.5432%0.316SS..THydrogen-bonded Turntrans-68.8-13.1-178-69.9-44.8000114K946D909-K946 WeakPolarHBondContact O-CA 3.37Å; D909-K946 WeakPolarHBondContact O-CB 3.47Å; D909-K946 VanDerWaalsContact O-CG 3.27Å; D909-K946 WeakPolarHBondContact O-CG 3.12Å
910D75.4Confident78Confident34 Ų3468 Ų6818%0.18234%0.338CS..THydrogen-bonded Turntrans-145.566.7175.2-162-12.9000111.8S908 L912 G913 H914 R925 K946S908-D910 PolarHBondContact O-N 3.41Å; D910-L912 PolarHBondContact O-N 3.34Å; D910-L912 VanDerWaalsContact O-N 3.16Å; D910-G913 WeakPolarHBondContact O-CA 3.29Å; D910-G913 PolarHBondContact O-N 3.19Å; D910-G913 PolarHBondContact OD1-N 2.82Å; D910-H914 PolarHBondContact O-CD2 3.23Å; D910-H914 VanDerWaalsContact O-CD2 3.32Å; D910-H914 PolarHBondContact O-N 3.32Å; D910-R925 IonicContact OD1-NH1 2.95Å; D910-R925 IonicContact OD1-NH2 3.57Å; D910-K946 HydrophobicContact CB-CD 4.49Å; D910-K946 VanDerWaalsContact CG-CE 3.49Å; D910-K946 WeakPolarHBondContact OD2-CE 3.49Å; D910-K946 IonicContact OD2-NZ 2.72Å; D910-K946 PolarHBondContact OD2-NZ 2.93Å
911V75.3Confident77.6Confident8 Ų862.1 Ų62.15%0.04832%0.322CS..Hα-helixtrans-45.5-46.4179.8-166.50000112.4F902 F905 S908 H914 I915F902-V911 HydrophobicContact CD2-CG1 3.89Å; F902-V911 HydrophobicContact CE2-CG1 4.15Å; F905-V911 HydrophobicContact CB-CG1 4.31Å; F905-V911 WeakPolarHBondContact O-CG2 3.24Å; S908-V911 PolarHBondContact OG-N 3.38Å; V911-H914 PolarHBondContact O-N 3.21Å; V911-I915 HydrophobicContact CG1-CD1 3.93Å; V911-I915 VanDerWaalsContact O-CG1 3.26Å; V911-I915 WeakPolarHBondContact O-CG1 3.42Å; V911-I915 PolarHBondContact O-N 3.42Å
912L78.3Confident76.9Confident0 Ų070.9 Ų70.90%036%0.359CS..Hα-helixtrans-69.5-35.6178.2-78174.8000113.2D910 M916 R925 I928 V929 L932 L944D910-L912 PolarHBondContact O-N 3.34Å; D910-L912 VanDerWaalsContact O-N 3.16Å; L912-M916 WeakPolarHBondContact O-CB 3.46Å; L912-M916 VanDerWaalsContact O-CG 3.25Å; L912-M916 WeakPolarHBondContact O-CG 3.44Å; L912-M916 PolarHBondContact O-N 3.35Å; L912-R925 HydrophobicContact CD1-CG 4.06Å; L912-I928 HydrophobicContact CD2-CG2 3.83Å; L912-V929 HydrophobicContact CD1-CG2 3.61Å; L912-V929 HydrophobicContact CD2-CG2 4.08Å; L912-L932 HydrophobicContact CD2-CD1 4.23Å; L912-L944 HydrophobicContact CD1-CB 3.69Å; L912-L944 HydrophobicContact CD1-CD1 4.44Å; L912-L944 HydrophobicContact CD2-CD1 4.47Å; L912-L944 HydrophobicContact CD2-CD2 4.37Å; L912-L944 HydrophobicContact CG-CB 3.99Å; L912-L944 HydrophobicContact CG-CD2 4.21Å
913G81.1Confident76.6Confident17 Ų1772.7 Ų72.718%0.17537%0.365CS..Hα-helixtrans-60.6-44.1173.200000112.2D910 K917D910-G913 WeakPolarHBondContact O-CA 3.29Å; D910-G913 PolarHBondContact O-N 3.19Å; D910-G913 PolarHBondContact OD1-N 2.82Å; G913-K917 WeakPolarHBondContact O-CG 3.44Å; G913-K917 PolarHBondContact O-N 3.32Å
914H78.4Confident76.4Confident74 Ų7471.3 Ų71.334%0.34337%0.367SS..Hα-helixtrans-68.9-44.9176.5-70.9-74.3000112.5F905 S908 D910 V911 M916 K917 N918F905-H914 HydrophobicContact CB-CB 4.04Å; F905-H914 HydrophobicContact CD1-CB 3.64Å; F905-H914 AromaticContact CD1-CG 3.79Å; F905-H914 HydrophobicContact CD2-CB 3.87Å; F905-H914 HydrophobicContact CE1-CB 4.07Å; F905-H914 HydrophobicContact CE2-CB 4.3Å; F905-H914 HydrophobicContact CG-CB 3.55Å; F905-H914 HydrophobicContact CZ-CB 4.4Å; S908-H914 PolarHBondContact OG-CD2 3.31Å; D910-H914 PolarHBondContact O-CD2 3.23Å; D910-H914 VanDerWaalsContact O-CD2 3.32Å; D910-H914 PolarHBondContact O-N 3.32Å; V911-H914 PolarHBondContact O-N 3.21Å; H914-M916 VanDerWaalsContact C-N 3.33Å; H914-M916 PolarHBondContact O-N 2.96Å; H914-K917 PolarHBondContact O-N 3.12Å; H914-N918 WeakPolarHBondContact O-CB 3.29Å; H914-N918 PolarHBondContact O-N 2.98Å; H914-N918 PolarHBondContact O-OD1 3.31Å
915I81.5Confident76.2Confident0 Ų068.9 Ų68.90%035%0.353CS..Hα-helixtrans-57.7-44.5174.7-68.4166.1000111.3L898 L901 F902 V911 K917 N918 I919 I928 L932L898-I915 HydrophobicContact CD1-CD1 4.49Å; L898-I915 HydrophobicContact CD1-CG2 3.62Å; L901-I915 HydrophobicContact CB-CG1 4.12Å; F902-I915 HydrophobicContact CB-CD1 4.09Å; F902-I915 HydrophobicContact CD2-CD1 4.15Å; V911-I915 HydrophobicContact CG1-CD1 3.93Å; V911-I915 VanDerWaalsContact O-CG1 3.26Å; V911-I915 WeakPolarHBondContact O-CG1 3.42Å; V911-I915 PolarHBondContact O-N 3.42Å; I915-K917 VanDerWaalsContact C-N 3.3Å; I915-K917 PolarHBondContact O-N 3.16Å; I915-N918 PolarHBondContact O-N 3.19Å; I915-I919 VanDerWaalsContact O-CB 3.31Å; I915-I919 WeakPolarHBondContact O-CB 3.32Å; I915-I919 VanDerWaalsContact O-CG2 3.23Å; I915-I919 WeakPolarHBondContact O-CG2 3.37Å; I915-I919 PolarHBondContact O-N 3.2Å; I915-I928 HydrophobicContact CG2-CD1 4.48Å; I915-I928 HydrophobicContact CG2-CG2 3.94Å; I915-L932 HydrophobicContact CD1-CD1 4.26Å
916M80.8Confident76Confident65 Ų6569.8 Ų69.832%0.3237%0.368SS..Hα-helixtrans-68.4-25.7-179.5-73.3-174.8-51.600114L912 H914 R925 I928L912-M916 WeakPolarHBondContact O-CB 3.46Å; L912-M916 VanDerWaalsContact O-CG 3.25Å; L912-M916 WeakPolarHBondContact O-CG 3.44Å; L912-M916 PolarHBondContact O-N 3.35Å; H914-M916 VanDerWaalsContact C-N 3.33Å; H914-M916 PolarHBondContact O-N 2.96Å; M916-R925 HydrophobicContact CE-CG 4.33Å; M916-R925 HydrophobicContact SD-CB 3.68Å; M916-R925 HydrophobicContact SD-CG 3.92Å; M916-I928 HydrophobicContact CG-CD1 3.68Å
917K82.9Confident76.4Confident179 Ų17971.5 Ų71.578%0.77837%0.371SS*.Hα-helixtrans-79.4-34.9173.2-74.8-174175.7-166.50112.6G913 H914 I915G913-K917 WeakPolarHBondContact O-CG 3.44Å; G913-K917 PolarHBondContact O-N 3.32Å; H914-K917 PolarHBondContact O-N 3.12Å; I915-K917 VanDerWaalsContact C-N 3.3Å; I915-K917 PolarHBondContact O-N 3.16Å
918N77.2Confident77.1Confident81 Ų8164 Ų6443%0.43333%0.33SS..Hα-helixtrans-101.5-10.9-168.1-68.231.8000114.6L901 F905 H914 I915L901-N918 HydrophobicContact CD1-CB 4.39Å; L901-N918 HydrophobicContact CD2-CB 3.74Å; F905-N918 HydrophobicContact CE2-CB 4.48Å; F905-N918 WeakPolarHBondContact CE2-ND2 3.44Å; F905-N918 WeakPolarHBondContact CZ-ND2 3.47Å; H914-N918 WeakPolarHBondContact O-CB 3.29Å; H914-N918 PolarHBondContact O-N 2.98Å; H914-N918 PolarHBondContact O-OD1 3.31Å; I915-N918 PolarHBondContact O-N 3.19Å
919I83Confident77.5Confident8 Ų862.9 Ų62.94%0.04132%0.323CS..  trans-77.3127.7178.6-165.4170.2000112.1W890 L898 L901 I915 A921W890-I919 HydrophobicContact CH2-CD1 3.96Å; W890-I919 HydrophobicContact CZ3-CD1 4.02Å; L898-I919 HydrophobicContact CD1-CD1 4.5Å; L901-I919 HydrophobicContact CD1-CB 3.9Å; L901-I919 HydrophobicContact CD1-CG1 4.3Å; I915-I919 VanDerWaalsContact O-CB 3.31Å; I915-I919 WeakPolarHBondContact O-CB 3.32Å; I915-I919 VanDerWaalsContact O-CG2 3.23Å; I915-I919 WeakPolarHBondContact O-CG2 3.37Å; I915-I919 PolarHBondContact O-N 3.2Å; I919-A921 PolarHBondContact O-N 3.43Å; I919-A921 VanDerWaalsContact O-N 3.16Å
920T77.9Confident78.4Confident129 Ų12961.4 Ų61.479%0.79131%0.314SS*.SBendtrans-59.7-30.2-176.5-51.90000112.5E897E897-T920 WeakPolarHBondContact OE1-CB 3.33Å; E897-T920 PolarHBondContact OE1-N 3.01Å; E897-T920 PolarHBondContact OE1-OG1 3.03Å
921A76.7Confident78.7Confident25 Ų2561.3 Ų61.321%0.20731%0.312CS..SBendtrans-108.294176.500000111.3I919 R923I919-A921 PolarHBondContact O-N 3.43Å; I919-A921 VanDerWaalsContact O-N 3.16Å; A921-R923 WeakPolarHBondContact O-CG 3.4Å; A921-R923 PolarHBondContact O-N 2.9Å
922K69.3Low79Confident198 Ų19860.9 Ų60.986%0.86131%0.31SS*.  trans-50.2122.4175.5-70.7-173.2177.9-178.80111
923R75.6Confident79.1Confident50 Ų5063.4 Ų63.419%0.18932%0.323CS..  trans-141.4153.6-175.3-79.6170.7169.3135.20.5110.3Q894 A921 I928Q894-R923 VanDerWaalsContact OE1-CZ 3.3Å; A921-R923 WeakPolarHBondContact O-CG 3.4Å; A921-R923 PolarHBondContact O-N 2.9Å; R923-I928 HydrophobicContact CB-CD1 4.29Å; R923-I928 HydrophobicContact CB-CG1 4.17Å
924S77.9Confident79Confident76 Ų7666.4 Ų66.453%0.53135%0.346SS..  trans-67.2143.9-179.561.40000112.6A926 R927 I928S924-A926 VanDerWaalsContact C-N 3.26Å; S924-A926 PolarHBondContact O-N 2.68Å; S924-A926 VanDerWaalsContact O-N 3.15Å; S924-R927 WeakPolarHBondContact O-CB 3.25Å; S924-R927 PolarHBondContact O-N 3.22Å; S924-I928 PolarHBondContact O-N 3.15Å
925R76.8Confident79Confident79 Ų7965.4 Ų65.430%0.29834%0.343SS..Hα-helixtrans-48.9-44.6-177.5-167.2174.2176.5112.50.9112.7D910 L912 M916 R927 I928 V929D910-R925 IonicContact OD1-NH1 2.95Å; D910-R925 IonicContact OD1-NH2 3.57Å; L912-R925 HydrophobicContact CD1-CG 4.06Å; M916-R925 HydrophobicContact CE-CG 4.33Å; M916-R925 HydrophobicContact SD-CB 3.68Å; M916-R925 HydrophobicContact SD-CG 3.92Å; R925-R927 PolarHBondContact O-N 3.32Å; R925-I928 PolarHBondContact O-N 3.47Å; R925-V929 WeakPolarHBondContact O-CG2 3.41Å; R925-V929 PolarHBondContact O-N 3.29Å
926A75.9Confident78.8Confident62 Ų6268.4 Ų68.451%0.51237%0.374SS..Hα-helixtrans-61.3-40.1177.800000113.5S924 I928 V929 D930S924-A926 VanDerWaalsContact C-N 3.26Å; S924-A926 PolarHBondContact O-N 2.68Å; S924-A926 VanDerWaalsContact O-N 3.15Å; A926-I928 VanDerWaalsContact C-N 3.31Å; A926-I928 PolarHBondContact O-N 3.21Å; A926-V929 PolarHBondContact O-N 3.49Å; A926-D930 WeakPolarHBondContact O-CB 3.4Å; A926-D930 PolarHBondContact O-N 2.96Å
927R80.6Confident78.6Confident129 Ų12967.2 Ų67.249%0.48737%0.369SS..Hα-helixtrans-69-29.3177.6-79.5-70.3-170139.22.4113.1S924 R925 K931S924-R927 WeakPolarHBondContact O-CB 3.25Å; S924-R927 PolarHBondContact O-N 3.22Å; R925-R927 PolarHBondContact O-N 3.32Å; R927-K931 WeakPolarHBondContact O-CB 3.24Å; R927-K931 PolarHBondContact O-N 3.43Å
928I82Confident78.1Confident0 Ų059.1 Ų59.10%033%0.334CS..Hα-helixtrans-73.2-49.6174.1-64.9169.9000109.2L898 L912 I915 M916 R923 S924 R925 A926 D930 K931 L932L898-I928 HydrophobicContact CD1-CG2 3.85Å; L912-I928 HydrophobicContact CD2-CG2 3.83Å; I915-I928 HydrophobicContact CG2-CD1 4.48Å; I915-I928 HydrophobicContact CG2-CG2 3.94Å; M916-I928 HydrophobicContact CG-CD1 3.68Å; R923-I928 HydrophobicContact CB-CD1 4.29Å; R923-I928 HydrophobicContact CB-CG1 4.17Å; S924-I928 PolarHBondContact O-N 3.15Å; R925-I928 PolarHBondContact O-N 3.47Å; A926-I928 VanDerWaalsContact C-N 3.31Å; A926-I928 PolarHBondContact O-N 3.21Å; I928-D930 PolarHBondContact O-N 3.07Å; I928-K931 PolarHBondContact O-N 2.78Å; I928-K931 VanDerWaalsContact O-N 3.13Å; I928-L932 HydrophobicContact CG2-CD1 4.03Å; I928-L932 HydrophobicContact CG2-CG 4.44Å; I928-L932 WeakPolarHBondContact O-CG 3.33Å; I928-L932 PolarHBondContact O-N 3.01Å
929V80.1Confident77.7Confident6 Ų659.4 Ų59.44%0.03635%0.348CS..Hα-helixtrans-54.1-52175.4170.20000111.8L912 R925 A926 K931 L932 L933 R941 L944L912-V929 HydrophobicContact CD1-CG2 3.61Å; L912-V929 HydrophobicContact CD2-CG2 4.08Å; R925-V929 WeakPolarHBondContact O-CG2 3.41Å; R925-V929 PolarHBondContact O-N 3.29Å; A926-V929 PolarHBondContact O-N 3.49Å; V929-K931 PolarHBondContact O-N 2.92Å; V929-L932 PolarHBondContact O-N 2.97Å; V929-L933 HydrophobicContact CG1-CD1 4.37Å; V929-L933 WeakPolarHBondContact O-CG 3.28Å; V929-L933 PolarHBondContact O-N 3.4Å; V929-R941 HydrophobicContact CG1-CB 4.38Å; V929-R941 HydrophobicContact CG1-CG 3.72Å; V929-L944 HydrophobicContact CB-CD1 4.42Å; V929-L944 HydrophobicContact CG1-CD1 4.29Å; V929-L944 HydrophobicContact CG2-CD1 4.01Å
930D80.6Confident76.9Confident69 Ų6963.9 Ų63.937%0.36937%0.368SS..Hα-helixtrans-65.2-27.5-179.3-72.6-14.9000112.7A926 I928 A934 R941A926-D930 WeakPolarHBondContact O-CB 3.4Å; A926-D930 PolarHBondContact O-N 2.96Å; I928-D930 PolarHBondContact O-N 3.07Å; D930-A934 VanDerWaalsContact O-CB 3.27Å; D930-A934 WeakPolarHBondContact O-CB 3.27Å; D930-A934 PolarHBondContact O-N 3.21Å; D930-R941 IonicContact OD1-CZ 3.58Å; D930-R941 IonicContact OD1-NE 2.76Å; D930-R941 IonicContact OD1-NH2 3.73Å; D930-R941 PolarHBondContact OD1-NH2 2.9Å; D930-R941 IonicContact OD2-NH2 3.79Å
931K81.2Confident76.7Confident32 Ų3264.2 Ų64.214%0.13936%0.355CS..Hα-helixtrans-79.8-35.5174.9-174.856.2179.2165.60112.6W890 E895 L898 R927 I928 V929 L933 A934 L935W890-K931 HydrophobicContact CD2-CG 4.04Å; W890-K931 HydrophobicContact CG-CD 4.42Å; W890-K931 HydrophobicContact CG-CG 4.38Å; W890-K931 HydrophobicContact CZ2-CB 4Å; W890-K931 HydrophobicContact CZ2-CG 4.04Å; E895-K931 WeakPolarHBondContact OE1-CE 3.4Å; E895-K931 IonicContact OE1-NZ 3.79Å; E895-K931 PolarHBondContact OE1-NZ 3.33Å; E895-K931 WeakPolarHBondContact OE2-CE 2.95Å; E895-K931 IonicContact OE2-NZ 2.77Å; E895-K931 PolarHBondContact OE2-NZ 3.38Å; L898-K931 HydrophobicContact CD2-CB 4.14Å; L898-K931 HydrophobicContact CD2-CG 3.84Å; R927-K931 WeakPolarHBondContact O-CB 3.24Å; R927-K931 PolarHBondContact O-N 3.43Å; I928-K931 PolarHBondContact O-N 2.78Å; I928-K931 VanDerWaalsContact O-N 3.13Å; V929-K931 PolarHBondContact O-N 2.92Å; K931-L933 VanDerWaalsContact C-N 3.34Å; K931-A934 HydrophobicContact CD-CB 4.48Å; K931-A934 CarbonylContact O-C 3.58Å; K931-A934 PolarHBondContact O-N 2.71Å; K931-L935 HydrophobicContact CD-CD1 4.34Å; K931-L935 HydrophobicContact CD-CG 4.14Å; K931-L935 HydrophobicContact CG-CD1 4.12Å; K931-L935 HydrophobicContact CG-CG 4.39Å; K931-L935 WeakPolarHBondContact O-CB 3.34Å; K931-L935 VanDerWaalsContact O-CG 3.31Å; K931-L935 WeakPolarHBondContact O-CG 3.38Å; K931-L935 PolarHBondContact O-N 2.97Å
932L80.4Confident76.1Confident0 Ų072.1 Ų72.10%038%0.38CS..Hα-helixtrans-62.7-41.1172.5-69.9171.6000111.3L898 F902 L912 I915 I928 V929 L935 G936 L937 V938 L944L898-L932 HydrophobicContact CD1-CD2 3.91Å; L898-L932 HydrophobicContact CD1-CG 4.31Å; L898-L932 HydrophobicContact CD2-CD2 3.98Å; L898-L932 HydrophobicContact CD2-CG 4.23Å; L898-L932 HydrophobicContact CG-CD2 3.77Å; L898-L932 HydrophobicContact CG-CG 4.43Å; F902-L932 HydrophobicContact CB-CD2 3.92Å; F902-L932 HydrophobicContact CD2-CD1 4.19Å; F902-L932 HydrophobicContact CD2-CD2 4.16Å; F902-L932 HydrophobicContact CG-CD2 4Å; L912-L932 HydrophobicContact CD2-CD1 4.23Å; I915-L932 HydrophobicContact CD1-CD1 4.26Å; I928-L932 HydrophobicContact CG2-CD1 4.03Å; I928-L932 HydrophobicContact CG2-CG 4.44Å; I928-L932 WeakPolarHBondContact O-CG 3.33Å; I928-L932 PolarHBondContact O-N 3.01Å; V929-L932 PolarHBondContact O-N 2.97Å; L932-L935 PolarHBondContact O-N 2.89Å; L932-G936 PolarHBondContact O-N 3.43Å; L932-L937 HydrophobicContact CD2-CB 4.4Å; L932-L937 HydrophobicContact CD2-CD1 3.79Å; L932-L937 PolarHBondContact O-N 3.47Å; L932-L937 VanDerWaalsContact O-N 3.12Å; L932-V938 HydrophobicContact CB-CG2 4.37Å; L932-L944 HydrophobicContact CB-CD1 4.43Å; L932-L944 HydrophobicContact CD1-CD1 3.86Å; L932-L944 HydrophobicContact CD1-CD2 3.79Å
933L81.5Confident75.8Confident53 Ų5367.4 Ų67.428%0.27736%0.361SS..Hα-helixtrans-61.4-48169.7-67.5173.3000111.9V929 K931 L935 G936 V938 R941V929-L933 HydrophobicContact CG1-CD1 4.37Å; V929-L933 WeakPolarHBondContact O-CG 3.28Å; V929-L933 PolarHBondContact O-N 3.4Å; K931-L933 VanDerWaalsContact C-N 3.34Å; L933-L935 PolarHBondContact O-N 3.14Å; L933-G936 PolarHBondContact O-N 2.99Å; L933-V938 HydrophobicContact CD2-CB 4.39Å; L933-V938 HydrophobicContact CD2-CG1 3.88Å; L933-R941 HydrophobicContact CD1-CG 3.76Å
934A78.9Confident75.3Confident79 Ų7965.1 Ų65.165%0.65335%0.352SS*.Hα-helixtrans-69.7-15.7-179.400000114.4D930 K931D930-A934 VanDerWaalsContact O-CB 3.27Å; D930-A934 WeakPolarHBondContact O-CB 3.27Å; D930-A934 PolarHBondContact O-N 3.21Å; K931-A934 HydrophobicContact CD-CB 4.48Å; K931-A934 CarbonylContact O-C 3.58Å; K931-A934 PolarHBondContact O-N 2.71Å
935L78.6Confident74.5Confident54 Ų5467.6 Ų67.628%0.28335%0.351SS..THydrogen-bonded Turntrans-90.4-8169.4-72.1171.3000112.8E895 L898 K931 L932 L933 L937E895-L935 HydrophobicContact CB-CD1 4.47Å; L898-L935 HydrophobicContact CD2-CD1 4.31Å; K931-L935 HydrophobicContact CD-CD1 4.34Å; K931-L935 HydrophobicContact CD-CG 4.14Å; K931-L935 HydrophobicContact CG-CD1 4.12Å; K931-L935 HydrophobicContact CG-CG 4.39Å; K931-L935 WeakPolarHBondContact O-CB 3.34Å; K931-L935 VanDerWaalsContact O-CG 3.31Å; K931-L935 WeakPolarHBondContact O-CG 3.38Å; K931-L935 PolarHBondContact O-N 2.97Å; L932-L935 PolarHBondContact O-N 2.89Å; L933-L935 PolarHBondContact O-N 3.14Å; L935-L937 HydrophobicContact CB-CD1 3.96Å; L935-L937 HydrophobicContact CB-CG 3.94Å; L935-L937 HydrophobicContact CD1-CD1 4Å; L935-L937 PolarHBondContact O-N 3.18Å
936G77Confident73.6Confident63 Ų6370.5 Ų70.565%0.64937%0.365SS*.THydrogen-bonded Turntrans71.215-177.400000114.6L932 L933 V938L932-G936 PolarHBondContact O-N 3.43Å; L933-G936 PolarHBondContact O-N 2.99Å; G936-V938 PolarHBondContact O-N 3.41Å
937L76.5Confident72.5Confident40 Ų4073.1 Ų73.121%0.20937%0.365CS..SBendtrans-76.1-16.2178.9-64.8171.7000112.6Q899 F902 L932 L935Q899-L937 HydrophobicContact CB-CD1 4.02Å; Q899-L937 HydrophobicContact CG-CD1 4.04Å; Q899-L937 HydrophobicContact CG-CD2 4.01Å; F902-L937 HydrophobicContact CD1-CB 3.87Å; F902-L937 HydrophobicContact CD1-CD1 4.3Å; F902-L937 HydrophobicContact CD1-CG 4.45Å; F902-L937 HydrophobicContact CE1-CB 3.85Å; F902-L937 WeakPolarHBondContact CE1-O 3.36Å; F902-L937 WeakPolarHBondContact CZ-O 3.37Å; L932-L937 HydrophobicContact CD2-CB 4.4Å; L932-L937 HydrophobicContact CD2-CD1 3.79Å; L932-L937 PolarHBondContact O-N 3.47Å; L932-L937 VanDerWaalsContact O-N 3.12Å; L935-L937 HydrophobicContact CB-CD1 3.96Å; L935-L937 HydrophobicContact CB-CG 3.94Å; L935-L937 HydrophobicContact CD1-CD1 4Å; L935-L937 PolarHBondContact O-N 3.18Å
938V71.4Confident70.4Confident9 Ų978.5 Ų78.56%0.05539%0.386CS..  trans-141.4135.3-177.1165.60000107.6F902 L932 L933 G936 E940 E943 L944F902-V938 HydrophobicContact CE1-CG2 4.37Å; F902-V938 HydrophobicContact CE2-CG2 3.66Å; F902-V938 HydrophobicContact CZ-CG2 3.51Å; L932-V938 HydrophobicContact CB-CG2 4.37Å; L933-V938 HydrophobicContact CD2-CB 4.39Å; L933-V938 HydrophobicContact CD2-CG1 3.88Å; G936-V938 PolarHBondContact O-N 3.41Å; V938-E940 WeakPolarHBondContact CG1-O 3.44Å; V938-E943 HydrophobicContact CG1-CB 4.26Å; V938-E943 WeakPolarHBondContact CG1-OE2 3.25Å; V938-L944 HydrophobicContact CG1-CD1 4.1Å; V938-L944 HydrophobicContact CG1-CG 4.19Å; V938-L944 HydrophobicContact CG2-CD1 4.07Å; V938-L944 HydrophobicContact CG2-CD2 3.91Å; V938-L944 HydrophobicContact CG2-CG 3.9Å
939A70.4Confident68Low86 Ų8689.2 Ų89.271%0.71143%0.426SS*.SBendtrans-88.3-41178.300000112E943A939-E943 PolarHBondContact N-OE2 3.36Å
940E65.9Low65.8Low102 Ų10297.8 Ų97.848%0.47746%0.463SS..SBendtrans-129.1143177.2-77.1-166.7-16000111.5V938 R942 E943V938-E940 WeakPolarHBondContact CG1-O 3.44Å; E940-R942 HydrophobicContact CB-CB 4.4Å; E940-R942 PolarHBondContact O-N 3.45Å; E940-R942 WeakPolarHBondContact OE2-CD 3.46Å; E940-R942 IonicContact OE2-CZ 3.94Å; E940-R942 IonicContact OE2-NE 3.08Å; E940-R942 IonicContact OE2-NH1 2.74Å; E940-R942 PolarHBondContact OE2-NH1 3.45Å; E940-E943 PolarHBondContact N-OE2 3Å; E940-E943 PolarHBondContact O-N 3.25Å
941R72.7Confident63.2Low137 Ų137104.9 Ų104.952%0.51749%0.49SS..G310 helixtrans-49.2-28173.5-67.7-174.5169.9155.1-6.3113.3V929 D930 L933 E943 L944 Y945V929-R941 HydrophobicContact CG1-CB 4.38Å; V929-R941 HydrophobicContact CG1-CG 3.72Å; D930-R941 IonicContact OD1-CZ 3.58Å; D930-R941 IonicContact OD1-NE 2.76Å; D930-R941 IonicContact OD1-NH2 3.73Å; D930-R941 PolarHBondContact OD1-NH2 2.9Å; D930-R941 IonicContact OD2-NH2 3.79Å; L933-R941 HydrophobicContact CD1-CG 3.76Å; R941-E943 VanDerWaalsContact C-N 3.3Å; R941-E943 PolarHBondContact O-N 3.37Å; R941-L944 PolarHBondContact O-N 2.97Å; R941-Y945 WeakPolarHBondContact O-CD2 3.41Å; R941-Y945 WeakPolarHBondContact O-CE2 3.34Å
942R63.8Low60.7Low191 Ų191110.3 Ų110.372%0.72152%0.52SS*.G310 helixtrans-60.9-30.5179.4-66.7-175.4176.5138.9-11.9114.2E940 L944 Y945E940-R942 HydrophobicContact CB-CB 4.4Å; E940-R942 PolarHBondContact O-N 3.45Å; E940-R942 WeakPolarHBondContact OE2-CD 3.46Å; E940-R942 IonicContact OE2-CZ 3.94Å; E940-R942 IonicContact OE2-NE 3.08Å; E940-R942 IonicContact OE2-NH1 2.74Å; E940-R942 PolarHBondContact OE2-NH1 3.45Å; R942-L944 PolarHBondContact O-N 3.15Å; R942-Y945 PolarHBondContact O-N 3.2Å
943E64.4Low58Low99 Ų99115.2 Ų115.246%0.46356%0.561SS.*G310 helixtrans-68.3-17.2-176.6-57.2178.5129.600112.9V938 A939 E940 R941V938-E943 HydrophobicContact CG1-CB 4.26Å; V938-E943 WeakPolarHBondContact CG1-OE2 3.25Å; A939-E943 PolarHBondContact N-OE2 3.36Å; E940-E943 PolarHBondContact N-OE2 3Å; E940-E943 PolarHBondContact O-N 3.25Å; R941-E943 VanDerWaalsContact C-N 3.3Å; R941-E943 PolarHBondContact O-N 3.37Å
944L64.6Low55.3Low1 Ų1117.6 Ų117.61%0.00558%0.582CS.*G310 helixtrans-95.45.6-178.4-68.3169.4000114.5F902 L912 V929 L932 V938 R941 R942F902-L944 HydrophobicContact CD2-CD2 4.13Å; F902-L944 HydrophobicContact CE2-CD2 3.66Å; L912-L944 HydrophobicContact CD1-CB 3.69Å; L912-L944 HydrophobicContact CD1-CD1 4.44Å; L912-L944 HydrophobicContact CD2-CD1 4.47Å; L912-L944 HydrophobicContact CD2-CD2 4.37Å; L912-L944 HydrophobicContact CG-CB 3.99Å; L912-L944 HydrophobicContact CG-CD2 4.21Å; V929-L944 HydrophobicContact CB-CD1 4.42Å; V929-L944 HydrophobicContact CG1-CD1 4.29Å; V929-L944 HydrophobicContact CG2-CD1 4.01Å; L932-L944 HydrophobicContact CB-CD1 4.43Å; L932-L944 HydrophobicContact CD1-CD1 3.86Å; L932-L944 HydrophobicContact CD1-CD2 3.79Å; V938-L944 HydrophobicContact CG1-CD1 4.1Å; V938-L944 HydrophobicContact CG1-CG 4.19Å; V938-L944 HydrophobicContact CG2-CD1 4.07Å; V938-L944 HydrophobicContact CG2-CD2 3.91Å; V938-L944 HydrophobicContact CG2-CG 3.9Å; R941-L944 PolarHBondContact O-N 2.97Å; R942-L944 PolarHBondContact O-N 3.15Å
945Y61.4Low52.7Low129 Ų129119.1 Ų119.151%0.50659%0.588SS.*SBendtrans-107.4159.2175.6-64.8-90.9000111.4R941 R942 K947R941-Y945 WeakPolarHBondContact O-CD2 3.41Å; R941-Y945 WeakPolarHBondContact O-CE2 3.34Å; R942-Y945 PolarHBondContact O-N 3.2Å; Y945-K947 PolarHBondContact O-N 3.39Å; Y945-K947 VanDerWaalsContact O-N 3.16Å
946K58.4Low50.2Low139 Ų139124.1 Ų124.160%0.60461%0.613SS**  trans-57118.2-167.8-51.2-154.8178.4-157.50112.4D909 D910 R948D909-K946 WeakPolarHBondContact O-CA 3.37Å; D909-K946 WeakPolarHBondContact O-CB 3.47Å; D909-K946 VanDerWaalsContact O-CG 3.27Å; D909-K946 WeakPolarHBondContact O-CG 3.12Å; D910-K946 HydrophobicContact CB-CD 4.49Å; D910-K946 VanDerWaalsContact CG-CE 3.49Å; D910-K946 WeakPolarHBondContact OD2-CE 3.49Å; D910-K946 IonicContact OD2-NZ 2.72Å; D910-K946 PolarHBondContact OD2-NZ 2.93Å; K946-R948 VanDerWaalsContact C-N 3.31Å; K946-R948 PolarHBondContact O-N 3.32Å
947K51.5Low47.9Very low118 Ų118128.7 Ų128.751%0.51362%0.622SS.*  trans-72.478.7179-67.8170.5-175.7161.10110.6Q906 Y945 R949Q906-K947 PolarHBondContact O-NZ 2.99Å; Y945-K947 PolarHBondContact O-N 3.39Å; Y945-K947 VanDerWaalsContact O-N 3.16Å; K947-R949 PolarHBondContact O-N 3.26Å
948R37.5Very low46.3Very low242 Ų242132.2 Ų132.291%0.91365%0.647SS**  trans-55104-179.7-160.6179.2-166.3-175.54.9110.4K946 K950K946-R948 VanDerWaalsContact C-N 3.31Å; K946-R948 PolarHBondContact O-N 3.32Å; R948-K950 PolarHBondContact O-N 3.22Å
949R31Very low43.9Very low224 Ų224139.6 Ų139.685%0.84569%0.686SS**  trans-59.6101.3-174.2-77.3-174174.8-168.4-2.7112.3K947 K951K947-R949 PolarHBondContact O-N 3.26Å; R949-K951 PolarHBondContact O-N 2.73Å
950K34.6Very low41.7Very low187 Ų187138.6 Ų138.681%0.81369%0.685SS**  trans-66.8115.3157.6-83.8-169.1173.2-173.50108.6R948 L952R948-K950 PolarHBondContact O-N 3.22Å; K950-L952 HydrophobicContact CD-CD1 4.48Å; K950-L952 PolarHBondContact O-N 3.25Å
951K25.2Very low39.7Very low217 Ų217137.7 Ų137.794%0.94370%0.695SS**  trans-85.388.4172.7-168.1-178.3-176.4-175.10109.2R949R949-K951 PolarHBondContact O-N 2.73Å
952L27.9Very low37.4Very low146 Ų146140.2 Ų140.276%0.76471%0.712SS**  trans-112.5144.7173.8-89.6164000110.7K950K950-L952 HydrophobicContact CD-CD1 4.48Å; K950-L952 PolarHBondContact O-N 3.25Å
953A24.1Very low35.6Very low103 Ų103136.9 Ų136.985%0.85172%0.718SS**  trans-68.8160.116700000110.9
954S24.9Very low33.9Very low104 Ų104138.4 Ų138.473%0.72773%0.729SS**  trans-91.3138.9-156.754.10000116.2
955S24.8Very low32Very low110 Ų110148 Ų14877%0.76977%0.77SS**  trans68.3150.1156.172.70000116.6
956I25.2Very low30.2Very low159 Ų159146.8 Ų146.882%0.81577%0.773SS**  cis-132.4156.131.1-68.3170.8000113.7
957L29.3Very low28.5Very low159 Ų159148.6 Ų148.683%0.83278%0.781SS**  trans-40172171.9-79164.8000118.8
958P43.4Very low27.2Very low114 Ų114147.3 Ų147.374%0.7479%0.786SS**  trans-126.6-155.9-136.447.7-36.1000113.9
959N21.3Very low26.6Very low164 Ų164142.2 Ų142.288%0.87777%0.773SS**  trans136.6144.1136.4-166.118.7000112.6
960G23.6Very low26.3Very low66 Ų66138.8 Ų138.868%0.6877%0.766SS**  trans148.568.3171.700000119.6
961A24.8Very low25.8Very low83 Ų83135.6 Ų135.669%0.68676%0.758SS**  trans45.9116.4146.100000123.2
962E24.6Very low25.8Very low189 Ų189132.3 Ų132.388%0.88375%0.75SS**  47.9124.9120.3-57175.2138.300122.3
963S25.4Very low25.8Very low121 Ų121134 Ų13485%0.84675%0.754SS**  -164.7119.9106.6-157.20000114.2
964L28.4Very low25.9Very low131 Ų131138.6 Ų138.669%0.68676%0.758SS**  trans-47.8144.5177-66.8143.9000117.1
965K25.7Very low25.9Very low202 Ų202142.7 Ų142.788%0.87877%0.765SS**  178.671.2126.2-99.5175.2-179.9-178.50115.2
966D22.2Very low25.9Very low104 Ų104146.4 Ų146.456%0.55677%0.771SS**  21.4135.598.9-59.438000116.9
967F22.9Very low26Very low177 Ų177147 Ų14778%0.77678%0.775SS**  cis-170.8172.1-3.2-126.5-56.1000110.7
968C24.5Very low25.9Very low92 Ų92147 Ų14762%0.62278%0.775SS**  trans77.6142.1145.4-75.50000120
969Q25.8Very low25.1Very low135 Ų135146.8 Ų146.863%0.63177%0.774SS**  cis-167.6-179.7-13-139.2-179.4-6900112.6
970E22.9Very low25.2Very low152 Ų152148.2 Ų148.271%0.7178%0.775SS**  trans9477.6146.8-82.1165.9-14800120.8
971D24Very low25.3Very low119 Ų119153.3 Ų153.364%0.63678%0.781SS**  62.2118.1103.5-51.5-8000121.6
972L26.5Very low25.3Very low148 Ų148157.7 Ų157.778%0.77579%0.793SS**  33.7136.9113-54.6171.5000118.2
973E26.8Very low25.4Very low181 Ų181152.7 Ų152.785%0.84678%0.779SS**  cis-129.6-162.513.5-88.9127-136.400109.7
974E27.1Very low25.4Very low200 Ų200156.5 Ų156.594%0.93578%0.784SS**  cis-151.4135.527.1-177.5-176.3-51.900109.7
975E24.4Very low25.3Very low190 Ų190158.6 Ų158.689%0.88879%0.79SS**  trans-45.7132.1-170.1-64.7166.7170.200120.7
976E25.9Very low25.2Very low189 Ų189156.5 Ų156.588%0.88379%0.788SS**  trans-121.7145.6138.4-87.9-160.6150.900109.3L978E976-L978 PolarHBondContact O-N 3.08Å
977N26.3Very low25.3Very low170 Ų170160.6 Ų160.691%0.90980%0.804SS**  trans-69.2122.2-174-77.3-91.4000112.4
978L27.2Very low25.4Very low160 Ų160161 Ų16184%0.83881%0.809SS**  trans-121.4145163.1-76.4172.1000109.8E976E976-L978 PolarHBondContact O-N 3.08Å
979P26.3Very low25.3Very low109 Ų109159.4 Ų159.471%0.70881%0.808SS**  trans-75.4153.4-178.432.5-35.7000111.9E981P979-E981 PolarHBondContact O-N 3.18Å
980E23.7Very low25.2Very low194 Ų194158.7 Ų158.791%0.90782%0.817SS**  trans-64.6120.6175.5-62.1169.4138.700111.1
981E25.8Very low25.2Very low173 Ų173157.2 Ų157.281%0.80882%0.824SS**  trans-99.492.6169.1-67.1-165.2130.900109.9P979 S983P979-E981 PolarHBondContact O-N 3.18Å; E981-S983 VanDerWaalsContact C-N 3.26Å; E981-S983 PolarHBondContact O-N 3.27Å
982D24.5Very low25.2Very low176 Ų176160.5 Ų160.594%0.94184%0.835SS**  trans-67.887.3163.1-86.2-24.7000109.3
983S26.4Very low25.1Very low84 Ų84158.4 Ų158.459%0.58784%0.84SS**  trans-129.386169.262.10000111.1E981 E985E981-S983 VanDerWaalsContact C-N 3.26Å; E981-S983 PolarHBondContact O-N 3.27Å; S983-E985 VanDerWaalsContact C-N 3.32Å; S983-E985 PolarHBondContact O-N 3.48Å; S983-E985 VanDerWaalsContact O-N 3.08Å
984E25.8Very low24.9Very low200 Ų200158.1 Ų158.194%0.93584%0.838SS**  trans-6696.6151.4-67.9-177.4149.200107.8
985E26.1Very low24.9Very low176 Ų176157.4 Ų157.482%0.82284%0.835SS**  trans-91112.2157.9-68.4-157.4145.200108.2S983 E987S983-E985 VanDerWaalsContact C-N 3.32Å; S983-E985 PolarHBondContact O-N 3.48Å; S983-E985 VanDerWaalsContact O-N 3.08Å; E985-E987 PolarHBondContact O-N 3.04Å; E985-E987 VanDerWaalsContact O-N 3.14Å
986D24.6Very low24.9Very low157 Ų157154.3 Ų154.384%0.8483%0.829SS**  trans-63.3108.7166.1-78.7-54.8000109.3E988D986-E988 VanDerWaalsContact C-N 3.33Å; D986-E988 PolarHBondContact O-N 3.04Å
987E24.4Very low24.8Very low190 Ų190153.7 Ų153.789%0.88883%0.826SS**  trans-70.485.7168.3-73.8-159.7152.500110.7E985 G989E985-E987 PolarHBondContact O-N 3.04Å; E985-E987 VanDerWaalsContact O-N 3.14Å; E987-G989 PolarHBondContact O-N 3.29Å
988E24.7Very low24.8Very low187 Ų187149 Ų14987%0.87482%0.818SS**  trans-70.476.8154.6-82.5-155.6153.900109.3D986D986-E988 VanDerWaalsContact C-N 3.33Å; D986-E988 PolarHBondContact O-N 3.04Å
989G23.1Very low25.1Very low58 Ų58146.8 Ų146.860%0.59882%0.816SS**  trans-57.2145.6170.600000112E987 S991E987-G989 PolarHBondContact O-N 3.29Å; G989-S991 PolarHBondContact O-N 3.24Å
990S22.7Very low25.4Very low120 Ų120148.4 Ų148.484%0.83982%0.818SS**  trans-49.5128-175.353.20000114.3
991S23.2Very low25.9Very low121 Ų121144.3 Ų144.385%0.84681%0.806SS**  trans-113140.1154.2-68.70000109.2G989G989-S991 PolarHBondContact O-N 3.24Å
992E23Very low26.5Very low187 Ų187143 Ų14387%0.87480%0.803SS**  trans-78.3157.7-161.1-62.7176.4122.600113.8E994E992-E994 PolarHBondContact O-N 3.42Å
993A24.6Very low27.6Very low105 Ų105136.7 Ų136.787%0.86877%0.774SS**  trans-86.293.6174.900000110.7
994E23.6Very low28.8Very low174 Ų174134.3 Ų134.381%0.81376%0.755SS**  trans-79.4115.6160.4-73.7-151.4134.100110.6E992 V996E992-E994 PolarHBondContact O-N 3.42Å; E994-V996 PolarHBondContact O-N 2.89Å
995E26.4Very low30.3Very low185 Ų185127.9 Ų127.986%0.86473%0.725SS**  trans-73.796.1163.7-69.7-168.5134.100109.9
996V24.8Very low31.9Very low126 Ų126124.8 Ų124.876%0.76471%0.714SS**  trans-99.6120.9164.2-176.10000110E994E994-V996 PolarHBondContact O-N 2.89Å
997Q24.5Very low33.8Very low175 Ų175118.6 Ų118.682%0.81868%0.681SS**  trans-80.5144.1-174.7-61164.1-15.400111.7
998G26.2Very low35.7Very low73 Ų73110.1 Ų110.175%0.75364%0.644SS**SBendtrans62.6133.6136.900000121.1
999S32.2Very low37.5Very low113 Ų113105.4 Ų105.479%0.7962%0.622SS**  trans61.289.8153178.90000118
1000L32.4Very low39.6Very low143 Ų143104.2 Ų104.275%0.74961%0.605SS**  trans-155.879.4153-107.9157.5000111S1003L1000-S1003 VanDerWaalsContact CD2-OG 3.29Å; L1000-S1003 WeakPolarHBondContact CD2-OG 3.45Å
1001V35.3Very low41.8Very low108 Ų10898.5 Ų98.566%0.65557%0.565SS**  trans-106.2-23.6169.3178.70000111.4S1003V1001-S1003 PolarHBondContact O-N 2.93Å
1002L37.6Very low44Very low144 Ų14497.9 Ų97.975%0.75455%0.549SS*.THydrogen-bonded Turntrans-81.533.1-172.9-65.3165.3000114.3
1003S48.3Very low46Very low45 Ų4597 Ų9732%0.31554%0.544SS..THydrogen-bonded Turntrans-147.72.3-175.4680000115.9L1000 V1001L1000-S1003 VanDerWaalsContact CD2-OG 3.29Å; L1000-S1003 WeakPolarHBondContact CD2-OG 3.45Å; V1001-S1003 PolarHBondContact O-N 2.93Å
1004T52.4Low48Very low34 Ų3496.7 Ų96.721%0.20953%0.525CS..SBendtrans-88.2-34.517142.80000112L1007 G1008 K1067 L1068T1004-L1007 PolarHBondContact O-N 2.79Å; T1004-L1007 VanDerWaalsContact O-N 3.16Å; T1004-G1008 PolarHBondContact O-N 3.19Å; T1004-K1067 HydrophobicContact CG2-CB 4.44Å; T1004-L1068 HydrophobicContact CG2-CD2 4.25Å
1005E56.1Low50.3Low64 Ų6490.8 Ų90.830%0.29951%0.511SS..Hα-helixtrans-58.6-51.8-177.4-68158.4174.300111.4L1007 G1008 Q1009E1005-L1007 PolarHBondContact O-N 3.19Å; E1005-L1007 VanDerWaalsContact O-N 3.12Å; E1005-G1008 PolarHBondContact O-N 3.49Å; E1005-Q1009 WeakPolarHBondContact O-CB 3.14Å; E1005-Q1009 WeakPolarHBondContact O-CG 3.07Å; E1005-Q1009 PolarHBondContact O-N 2.89Å
1006N60.5Low52.7Low111 Ų11184 Ų8459%0.59448%0.479SS*.Hα-helixtrans-56.8-30.2177.3-60.1-5.5000113.8S1010N1006-S1010 PolarHBondContact O-N 3.32Å
1007L64.7Low55.1Low28 Ų2880.1 Ų80.115%0.14746%0.457CS..Hα-helixtrans-87.1-34-176.6-120.9155.3000112.1T1004 E1005 Q1009 S1010 L1011 K1067T1004-L1007 PolarHBondContact O-N 2.79Å; T1004-L1007 VanDerWaalsContact O-N 3.16Å; E1005-L1007 PolarHBondContact O-N 3.19Å; E1005-L1007 VanDerWaalsContact O-N 3.12Å; L1007-Q1009 VanDerWaalsContact C-N 3.31Å; L1007-S1010 PolarHBondContact O-OG 3.13Å; L1007-S1010 VanDerWaalsContact O-OG 3.13Å; L1007-L1011 HydrophobicContact CD2-CD1 4.36Å; L1007-L1011 WeakPolarHBondContact O-CB 3.44Å; L1007-L1011 WeakPolarHBondContact O-CD1 3.25Å; L1007-L1011 WeakPolarHBondContact O-CG 3.26Å; L1007-L1011 PolarHBondContact O-N 3.44Å; L1007-K1067 HydrophobicContact CD1-CD 4.17Å
1008G62.6Low57.6Low11 Ų1175.1 Ų75.111%0.11344%0.439CS..Hα-helixtrans-62.2-42.316500000111.1T1004 E1005 H1012T1004-G1008 PolarHBondContact O-N 3.19Å; E1005-G1008 PolarHBondContact O-N 3.49Å; G1008-H1012 WeakPolarHBondContact O-CB 3.17Å; G1008-H1012 PolarHBondContact O-N 3.22Å
1009Q63.9Low60.3Low88 Ų8871.8 Ų71.841%0.41140%0.404SS..Hα-helixtrans-68.4-36.4178.3-70.6175.90.400113.5E1005 L1007 H1012 Q1013E1005-Q1009 WeakPolarHBondContact O-CB 3.14Å; E1005-Q1009 WeakPolarHBondContact O-CG 3.07Å; E1005-Q1009 PolarHBondContact O-N 2.89Å; L1007-Q1009 VanDerWaalsContact C-N 3.31Å; Q1009-H1012 PolarHBondContact O-N 2.92Å; Q1009-Q1013 WeakPolarHBondContact O-CG 3.33Å; Q1009-Q1013 PolarHBondContact O-N 2.98Å; Q1009-Q1013 VanDerWaalsContact O-N 3.17Å
1010S66.6Low62.6Low34 Ų3466.9 Ų66.924%0.23837%0.369CS..Hα-helixtrans-67.3-46.1174.366.50000111.7N1006 L1007 H1012 Q1013 E1014N1006-S1010 PolarHBondContact O-N 3.32Å; L1007-S1010 PolarHBondContact O-OG 3.13Å; L1007-S1010 VanDerWaalsContact O-OG 3.13Å; S1010-H1012 VanDerWaalsContact C-N 3.27Å; S1010-H1012 PolarHBondContact O-N 3.28Å; S1010-Q1013 CarbonylContact O-C 3.23Å; S1010-Q1013 WeakPolarHBondContact O-CA 3.44Å; S1010-Q1013 WeakPolarHBondContact O-CB 3.35Å; S1010-Q1013 PolarHBondContact O-N 3.43Å; S1010-E1014 PolarHBondContact O-N 3.29Å
1011L69.4Low64.9Low0 Ų064.2 Ų64.20%036%0.355CS..Hα-helixtrans-61.8-33.8176.2-75.1166000112.5L1007 Q1013 E1014 G1015 F1016 L1020 Q1060 F1061 L1064L1007-L1011 HydrophobicContact CD2-CD1 4.36Å; L1007-L1011 WeakPolarHBondContact O-CB 3.44Å; L1007-L1011 WeakPolarHBondContact O-CD1 3.25Å; L1007-L1011 WeakPolarHBondContact O-CG 3.26Å; L1007-L1011 PolarHBondContact O-N 3.44Å; L1011-Q1013 VanDerWaalsContact C-N 3.33Å; L1011-E1014 PolarHBondContact O-N 3.48Å; L1011-G1015 PolarHBondContact O-N 3.34Å; L1011-F1016 HydrophobicContact CB-CB 4.49Å; L1011-F1016 HydrophobicContact CD2-CD2 3.89Å; L1011-F1016 HydrophobicContact CD2-CE2 4.48Å; L1011-F1016 HydrophobicContact CD2-CG 4.48Å; L1011-F1016 PolarHBondContact O-N 2.62Å; L1011-L1020 HydrophobicContact CB-CD1 4.06Å; L1011-Q1060 HydrophobicContact CD2-CB 3.81Å; L1011-Q1060 HydrophobicContact CG-CB 4.48Å; L1011-F1061 HydrophobicContact CD1-CD2 4.18Å; L1011-L1064 HydrophobicContact CD1-CB 4.16Å; L1011-L1064 HydrophobicContact CD1-CD2 3.86Å
1012H68.6Low67.4Low107 Ų10760.7 Ų60.750%0.49533%0.33SS..Hα-helixtrans-68.9-29.2173.5-151.7104.1000112.8G1008 Q1009 S1010 L1020G1008-H1012 WeakPolarHBondContact O-CB 3.17Å; G1008-H1012 PolarHBondContact O-N 3.22Å; Q1009-H1012 PolarHBondContact O-N 2.92Å; S1010-H1012 VanDerWaalsContact C-N 3.27Å; S1010-H1012 PolarHBondContact O-N 3.28Å; H1012-L1020 HydrophobicContact CB-CD1 4.15Å
1013Q65.7Low69.7Low168 Ų16853.9 Ų53.979%0.78529%0.294SS*.Hα-helixtrans-80.4-28.5173.6-69.9171.538.500112.8Q1009 S1010 L1011 G1015Q1009-Q1013 WeakPolarHBondContact O-CG 3.33Å; Q1009-Q1013 PolarHBondContact O-N 2.98Å; Q1009-Q1013 VanDerWaalsContact O-N 3.17Å; S1010-Q1013 CarbonylContact O-C 3.23Å; S1010-Q1013 WeakPolarHBondContact O-CA 3.44Å; S1010-Q1013 WeakPolarHBondContact O-CB 3.35Å; S1010-Q1013 PolarHBondContact O-N 3.43Å; L1011-Q1013 VanDerWaalsContact C-N 3.33Å; Q1013-G1015 PolarHBondContact O-N 3.46Å
1014E67.3Low71.4Confident100 Ų10053.1 Ų53.147%0.46729%0.286SS..THydrogen-bonded Turntrans-77.2-6173.4-71.4-179.3-172.200113.6S1010 L1011 F1016 Q1060S1010-E1014 PolarHBondContact O-N 3.29Å; L1011-E1014 PolarHBondContact O-N 3.48Å; E1014-F1016 HydrophobicContact CB-CD2 4.05Å; E1014-F1016 HydrophobicContact CB-CE2 4.17Å; E1014-Q1060 VanDerWaalsContact CD-NE2 3.26Å; E1014-Q1060 PolarHBondContact OE1-NE2 2.87Å; E1014-Q1060 PolarHBondContact OE2-NE2 3.07Å
1015G70.5Confident73Confident50 Ų5057.3 Ų57.352%0.51530%0.303SS..THydrogen-bonded Turntrans106.9-3.7172.700000115.5L1011 Q1013 S1017L1011-G1015 PolarHBondContact O-N 3.34Å; Q1013-G1015 PolarHBondContact O-N 3.46Å; G1015-S1017 PolarHBondContact O-N 2.78Å
1016F76.3Confident74.5Confident42 Ų4255.8 Ų55.818%0.18430%0.299CS..THydrogen-bonded Turntrans-77.939.2-177.5-62.5-80.4000113.7L1011 E1014 P1019 L1020 A1055 N1058L1011-F1016 HydrophobicContact CB-CB 4.49Å; L1011-F1016 HydrophobicContact CD2-CD2 3.89Å; L1011-F1016 HydrophobicContact CD2-CE2 4.48Å; L1011-F1016 HydrophobicContact CD2-CG 4.48Å; L1011-F1016 PolarHBondContact O-N 2.62Å; E1014-F1016 HydrophobicContact CB-CD2 4.05Å; E1014-F1016 HydrophobicContact CB-CE2 4.17Å; F1016-P1019 HydrophobicContact CD1-CG 4.34Å; F1016-L1020 WeakPolarHBondContact O-CB 3.48Å; F1016-L1020 WeakPolarHBondContact O-CD1 3.38Å; F1016-L1020 WeakPolarHBondContact O-CG 3.31Å; F1016-L1020 PolarHBondContact O-N 3.28Å; F1016-L1020 VanDerWaalsContact O-N 3.15Å; F1016-A1055 HydrophobicContact CD1-CB 3.8Å; F1016-A1055 HydrophobicContact CE1-CB 4.07Å; F1016-N1058 WeakPolarHBondContact CE2-ND2 3.45Å; F1016-N1058 WeakPolarHBondContact CZ-ND2 3.35Å
1017S76Confident75.7Confident45 Ų4550.7 Ų50.732%0.31527%0.271SS..Hα-helixtrans-69.2-42.118059.30000112.7G1015 L1021G1015-S1017 PolarHBondContact O-N 2.78Å; S1017-L1021 WeakPolarHBondContact O-CG 3.22Å; S1017-L1021 PolarHBondContact O-N 3.17Å; S1017-L1021 VanDerWaalsContact O-N 3.16Å
1018T77.2Confident76.7Confident70 Ų7052.2 Ų52.243%0.42928%0.279SS..Hα-helixtrans-61.8-48.9174.8-16.80000112L1020 L1021 W1022 E1051T1018-L1020 PolarHBondContact O-N 3.16Å; T1018-L1021 PolarHBondContact O-N 3.41Å; T1018-W1022 PolarHBondContact O-N 3.16Å; T1018-E1051 WeakPolarHBondContact CB-OE2 3.2Å; T1018-E1051 PolarHBondContact OG1-OE2 3.1Å
1019P82.8Confident77.8Confident2 Ų259.1 Ų59.11%0.01330%0.301CS..Hα-helixtrans-67.8-29.8179.7-26.639.3000115F1016 L1023 E1051 N1052 A1055 F1061F1016-P1019 HydrophobicContact CD1-CG 4.34Å; P1019-L1023 WeakPolarHBondContact O-CB 3.42Å; P1019-L1023 PolarHBondContact O-N 3.02Å; P1019-E1051 HydrophobicContact CG-CB 4.49Å; P1019-E1051 WeakPolarHBondContact CG-O 3.43Å; P1019-N1052 VanDerWaalsContact CA-OD1 3.23Å; P1019-N1052 WeakPolarHBondContact CA-OD1 3.41Å; P1019-N1052 WeakPolarHBondContact CB-OD1 3.5Å; P1019-A1055 HydrophobicContact CB-CB 3.58Å; P1019-A1055 HydrophobicContact CG-CB 3.73Å; P1019-F1061 HydrophobicContact CB-CE2 4.09Å; P1019-F1061 HydrophobicContact CB-CZ 4.09Å
1020L81.2Confident78.8Confident11 Ų1155 Ų556%0.05828%0.282CS..Hα-helixtrans-67.2-39.4171.6-72.9170000112L1011 H1012 F1016 T1018 Q1024 F1061 L1064 L1099L1011-L1020 HydrophobicContact CB-CD1 4.06Å; H1012-L1020 HydrophobicContact CB-CD1 4.15Å; F1016-L1020 WeakPolarHBondContact O-CB 3.48Å; F1016-L1020 WeakPolarHBondContact O-CD1 3.38Å; F1016-L1020 WeakPolarHBondContact O-CG 3.31Å; F1016-L1020 PolarHBondContact O-N 3.28Å; F1016-L1020 VanDerWaalsContact O-N 3.15Å; T1018-L1020 PolarHBondContact O-N 3.16Å; L1020-Q1024 WeakPolarHBondContact O-CB 3.23Å; L1020-Q1024 PolarHBondContact O-N 3.08Å; L1020-F1061 HydrophobicContact CD2-CE2 4.09Å; L1020-F1061 HydrophobicContact CG-CE2 4.42Å; L1020-L1064 HydrophobicContact CD2-CD2 3.64Å; L1020-L1099 HydrophobicContact CD2-CD2 4.41Å
1021L80.7Confident79.7Confident87 Ų8753.3 Ų53.346%0.45527%0.271SS..Hα-helixtrans-69.6-38.1174.5-70.9169.9000112.3S1017 T1018 Q1024 H1025S1017-L1021 WeakPolarHBondContact O-CG 3.22Å; S1017-L1021 PolarHBondContact O-N 3.17Å; S1017-L1021 VanDerWaalsContact O-N 3.16Å; T1018-L1021 PolarHBondContact O-N 3.41Å; L1021-Q1024 PolarHBondContact O-N 2.7Å; L1021-H1025 WeakPolarHBondContact O-CB 3.27Å; L1021-H1025 PolarHBondContact O-N 2.75Å
1022W87.4Confident80.4Confident34 Ų3456 Ų5613%0.12929%0.285CS..Hα-helixtrans-60.2-50.1171.6164.672.9000111.4T1018 Q1024 H1025 C1026 L1045 V1046 P1047 N1052 M1056 F1061T1018-W1022 PolarHBondContact O-N 3.16Å; W1022-Q1024 VanDerWaalsContact C-N 3.32Å; W1022-Q1024 PolarHBondContact O-N 3.43Å; W1022-H1025 PolarHBondContact O-N 2.88Å; W1022-H1025 VanDerWaalsContact O-N 3.14Å; W1022-C1026 PolarHBondContact O-N 3.47Å; W1022-L1045 HydrophobicContact CH2-CB 4.2Å; W1022-L1045 HydrophobicContact CZ2-CB 4.42Å; W1022-V1046 WeakPolarHBondContact CZ2-O 3.32Å; W1022-P1047 HydrophobicContact CH2-CB 4.34Å; W1022-P1047 HydrophobicContact CZ2-CB 4.37Å; W1022-N1052 HydrophobicContact CD2-CB 4.36Å; W1022-N1052 VanDerWaalsContact CD2-OD1 3.3Å; W1022-N1052 HydrophobicContact CE3-CB 4.21Å; W1022-N1052 HydrophobicContact CZ3-CB 4.39Å; W1022-M1056 HydrophobicContact CH2-CG 4.38Å; W1022-M1056 HydrophobicContact CH2-SD 4.13Å; W1022-M1056 HydrophobicContact CZ3-CG 4.38Å; W1022-M1056 HydrophobicContact CZ3-SD 4.1Å; W1022-F1061 HydrophobicContact CZ3-CE1 4.49Å
1023L85.6Confident81Confident0 Ų053.8 Ų53.80%028%0.277CS..Hα-helixtrans-60-41.2177.4179.760.8000111.8P1019 C1026 L1027 L1045 F1061 L1065 L1068 L1099P1019-L1023 WeakPolarHBondContact O-CB 3.42Å; P1019-L1023 PolarHBondContact O-N 3.02Å; L1023-C1026 PolarHBondContact O-N 3.44Å; L1023-L1027 HydrophobicContact CD1-CD1 4.38Å; L1023-L1027 HydrophobicContact CD1-CG 4.46Å; L1023-L1027 HydrophobicContact CG-CD1 4.18Å; L1023-L1027 WeakPolarHBondContact O-CB 3.36Å; L1023-L1027 VanDerWaalsContact O-CG 3.28Å; L1023-L1027 WeakPolarHBondContact O-CG 3.27Å; L1023-L1027 PolarHBondContact O-N 2.89Å; L1023-L1045 HydrophobicContact CD1-CD1 3.73Å; L1023-L1045 HydrophobicContact CD1-CD2 4.28Å; L1023-F1061 HydrophobicContact CB-CZ 4.45Å; L1023-F1061 HydrophobicContact CD2-CZ 4.09Å; L1023-L1065 HydrophobicContact CD1-CD2 3.72Å; L1023-L1065 HydrophobicContact CD2-CD2 3.76Å; L1023-L1065 HydrophobicContact CG-CD2 4.42Å; L1023-L1068 HydrophobicContact CD2-CD1 4.08Å; L1023-L1099 HydrophobicContact CD2-CD1 4.49Å; L1023-L1099 HydrophobicContact CG-CD1 4.49Å
1024Q85.1Confident81.8Confident30 Ų3046.6 Ų46.614%0.1424%0.243CC..Hα-helixtrans-58.3-50.5172.3175-176.872.600111.6L1020 L1021 W1022 C1026 L1027 I1028 A1096 L1099 N1100L1020-Q1024 WeakPolarHBondContact O-CB 3.23Å; L1020-Q1024 PolarHBondContact O-N 3.08Å; L1021-Q1024 PolarHBondContact O-N 2.7Å; W1022-Q1024 VanDerWaalsContact C-N 3.32Å; W1022-Q1024 PolarHBondContact O-N 3.43Å; Q1024-C1026 VanDerWaalsContact C-N 3.32Å; Q1024-C1026 PolarHBondContact O-N 3.2Å; Q1024-L1027 PolarHBondContact O-N 2.76Å; Q1024-L1027 VanDerWaalsContact O-N 3.13Å; Q1024-I1028 HydrophobicContact CG-CD1 3.79Å; Q1024-I1028 HydrophobicContact CG-CG1 4.44Å; Q1024-I1028 WeakPolarHBondContact O-CG1 3.38Å; Q1024-I1028 PolarHBondContact O-N 3Å; Q1024-A1096 HydrophobicContact CG-CB 4.14Å; Q1024-A1096 PolarHBondContact NE2-O 3.2Å; Q1024-L1099 HydrophobicContact CB-CD1 4.49Å; Q1024-N1100 VanDerWaalsContact NE2-CB 3.3Å; Q1024-N1100 PolarHBondContact NE2-ND2 3.46Å
1025H86.1Confident82.4Confident122 Ų12246.6 Ų46.657%0.56524%0.243SC*.Hα-helixtrans-62-39.6-179.4-174.9-95.8000111.8L1021 W1022 I1028 R1029L1021-H1025 WeakPolarHBondContact O-CB 3.27Å; L1021-H1025 PolarHBondContact O-N 2.75Å; W1022-H1025 PolarHBondContact O-N 2.88Å; W1022-H1025 VanDerWaalsContact O-N 3.14Å; H1025-I1028 PolarHBondContact O-N 2.98Å; H1025-R1029 VanDerWaalsContact O-CB 3.29Å; H1025-R1029 WeakPolarHBondContact O-CB 3.35Å; H1025-R1029 PolarHBondContact O-N 2.76Å
1026C85.8Confident82.6Confident32 Ų3252.5 Ų52.522%0.21626%0.257CS..Hα-helixtrans-62.9-39.7172.4-73.80000113W1022 L1023 Q1024 A1030 L1045W1022-C1026 PolarHBondContact O-N 3.47Å; L1023-C1026 PolarHBondContact O-N 3.44Å; Q1024-C1026 VanDerWaalsContact C-N 3.32Å; Q1024-C1026 PolarHBondContact O-N 3.2Å; C1026-A1030 WeakPolarHBondContact O-CB 3.4Å; C1026-A1030 PolarHBondContact O-N 3.49Å; C1026-L1045 HydrophobicContact CB-CD2 3.59Å
1027L86.5Confident82.1Confident4 Ų456.6 Ų56.62%0.02128%0.281CS..Hα-helixtrans-70.6-34.8177-73167.6000113.1L1023 Q1024 A1031 L1068 I1083 L1092 V1095 A1096 L1099L1023-L1027 HydrophobicContact CD1-CD1 4.38Å; L1023-L1027 HydrophobicContact CD1-CG 4.46Å; L1023-L1027 HydrophobicContact CG-CD1 4.18Å; L1023-L1027 WeakPolarHBondContact O-CB 3.36Å; L1023-L1027 VanDerWaalsContact O-CG 3.28Å; L1023-L1027 WeakPolarHBondContact O-CG 3.27Å; L1023-L1027 PolarHBondContact O-N 2.89Å; Q1024-L1027 PolarHBondContact O-N 2.76Å; Q1024-L1027 VanDerWaalsContact O-N 3.13Å; L1027-A1031 PolarHBondContact O-N 3.28Å; L1027-L1068 HydrophobicContact CD1-CD1 4.36Å; L1027-I1083 HydrophobicContact CD2-CD1 4.03Å; L1027-I1083 HydrophobicContact CD2-CG1 4.34Å; L1027-L1092 HydrophobicContact CD2-CD2 3.82Å; L1027-V1095 HydrophobicContact CD1-CG1 4Å; L1027-A1096 HydrophobicContact CB-CB 4.13Å; L1027-L1099 HydrophobicContact CD1-CD1 4.08Å
1028I86.2Confident81.3Confident60 Ų6057.4 Ų57.431%0.30830%0.296SS..Hα-helixtrans-69.8-53.5174.7-68.2171.3000109.5Q1024 H1025 A1030 A1031 D1032 A1096Q1024-I1028 HydrophobicContact CG-CD1 3.79Å; Q1024-I1028 HydrophobicContact CG-CG1 4.44Å; Q1024-I1028 WeakPolarHBondContact O-CG1 3.38Å; Q1024-I1028 PolarHBondContact O-N 3Å; H1025-I1028 PolarHBondContact O-N 2.98Å; I1028-A1030 VanDerWaalsContact C-N 3.33Å; I1028-A1030 PolarHBondContact O-N 3.39Å; I1028-A1031 WeakPolarHBondContact O-CA 3.32Å; I1028-A1031 VanDerWaalsContact O-CB 3.25Å; I1028-A1031 WeakPolarHBondContact O-CB 3.5Å; I1028-A1031 PolarHBondContact O-N 3.12Å; I1028-D1032 WeakPolarHBondContact CG2-OD2 3.25Å; I1028-D1032 VanDerWaalsContact O-CG 3.23Å; I1028-D1032 PolarHBondContact O-N 3.25Å; I1028-A1096 HydrophobicContact CD1-CB 4.25Å; I1028-A1096 HydrophobicContact CG1-CB 3.68Å
1029R85.4Confident80Confident155 Ų15557.4 Ų57.459%0.58530%0.298SS*.Hα-helixtrans-55.8-46.5177.5-176.6178.8175.21763111.9H1025 A1031 D1032 D1033H1025-R1029 VanDerWaalsContact O-CB 3.29Å; H1025-R1029 WeakPolarHBondContact O-CB 3.35Å; H1025-R1029 PolarHBondContact O-N 2.76Å; R1029-A1031 PolarHBondContact O-N 2.88Å; R1029-A1031 VanDerWaalsContact O-N 3.15Å; R1029-D1032 PolarHBondContact O-N 3.24Å; R1029-D1032 VanDerWaalsContact O-N 3.07Å; R1029-D1033 IonicContact NE-OD1 2.85Å; R1029-D1033 IonicContact NE-OD2 3.08Å; R1029-D1033 WeakPolarHBondContact O-CB 3.38Å; R1029-D1033 PolarHBondContact O-N 3.39Å
1030A84.6Confident79Confident1 Ų161.2 Ų61.21%0.00833%0.325CS..Hα-helixtrans-68.1-10.7176.200000114.4C1026 I1028 R1034 V1043 I1083C1026-A1030 WeakPolarHBondContact O-CB 3.4Å; C1026-A1030 PolarHBondContact O-N 3.49Å; I1028-A1030 VanDerWaalsContact C-N 3.33Å; I1028-A1030 PolarHBondContact O-N 3.39Å; A1030-R1034 WeakPolarHBondContact O-CD 3.43Å; A1030-R1034 WeakPolarHBondContact O-CG 3.14Å; A1030-V1043 HydrophobicContact CB-CB 4.37Å; A1030-V1043 HydrophobicContact CB-CG1 4.38Å; A1030-V1043 HydrophobicContact CB-CG2 4.17Å; A1030-I1083 HydrophobicContact CB-CD1 3.7Å
1031A85.2Confident78.8Confident0 Ų067.7 Ų67.70%036%0.355CS..Hα-helixtrans-87.5-39.8167.900000111.5L1027 I1028 R1029 R1034 E1035 P1089 L1092 R1093L1027-A1031 PolarHBondContact O-N 3.28Å; I1028-A1031 WeakPolarHBondContact O-CA 3.32Å; I1028-A1031 VanDerWaalsContact O-CB 3.25Å; I1028-A1031 WeakPolarHBondContact O-CB 3.5Å; I1028-A1031 PolarHBondContact O-N 3.12Å; R1029-A1031 PolarHBondContact O-N 2.88Å; R1029-A1031 VanDerWaalsContact O-N 3.15Å; A1031-R1034 PolarHBondContact O-N 3.5Å; A1031-E1035 PolarHBondContact O-N 3.47Å; A1031-E1035 VanDerWaalsContact O-N 3.14Å; A1031-P1089 HydrophobicContact CB-CB 4.1Å; A1031-L1092 HydrophobicContact CB-CB 3.8Å; A1031-L1092 HydrophobicContact CB-CD1 4.09Å; A1031-R1093 HydrophobicContact CB-CG 3.73Å
1032D84Confident78.7Confident55 Ų5565.6 Ų65.629%0.29435%0.351SS..Hα-helixtrans-70.4-49.9-179.7-56.2-21000110.6I1028 R1029 R1034 E1035 E1036 R1093I1028-D1032 WeakPolarHBondContact CG2-OD2 3.25Å; I1028-D1032 VanDerWaalsContact O-CG 3.23Å; I1028-D1032 PolarHBondContact O-N 3.25Å; R1029-D1032 PolarHBondContact O-N 3.24Å; R1029-D1032 VanDerWaalsContact O-N 3.07Å; D1032-R1034 PolarHBondContact O-N 3.28Å; D1032-R1034 VanDerWaalsContact O-N 3.12Å; D1032-E1035 PolarHBondContact O-N 3.47Å; D1032-E1036 PolarHBondContact O-N 2.89Å; D1032-R1093 IonicContact OD1-CZ 3.99Å; D1032-R1093 VanDerWaalsContact OD1-CZ 3.24Å; D1032-R1093 IonicContact OD1-NE 2.76Å; D1032-R1093 PolarHBondContact OD1-NE 2.75Å; D1032-R1093 IonicContact OD1-NH2 2.92Å; D1032-R1093 PolarHBondContact OD1-NH2 3.34Å
1033D81.6Confident78.4Confident61 Ų6166.1 Ų66.133%0.32636%0.357SS..Hα-helixtrans-50.4-39171.4-61.4-21.4000110.8R1029 D1037R1029-D1033 IonicContact NE-OD1 2.85Å; R1029-D1033 IonicContact NE-OD2 3.08Å; R1029-D1033 WeakPolarHBondContact O-CB 3.38Å; R1029-D1033 PolarHBondContact O-N 3.39Å; D1033-D1037 WeakPolarHBondContact O-CB 3.41Å; D1033-D1037 PolarHBondContact O-N 3.27Å
1034R82.9Confident78.3Confident17 Ų1768.8 Ų68.86%0.06438%0.375CS..Hα-helixtrans-76.8-20.2179.3-77.1-179.3-174.2-178.54.6114.3A1030 A1031 D1032 Q1041 I1083 P1084 L1087 P1089A1030-R1034 WeakPolarHBondContact O-CD 3.43Å; A1030-R1034 WeakPolarHBondContact O-CG 3.14Å; A1031-R1034 PolarHBondContact O-N 3.5Å; D1032-R1034 PolarHBondContact O-N 3.28Å; D1032-R1034 VanDerWaalsContact O-N 3.12Å; R1034-Q1041 PolarHBondContact NH2-O 3.41Å; R1034-I1083 PolarHBondContact NH2-O 3.02Å; R1034-I1083 VanDerWaalsContact NH2-O 3.08Å; R1034-P1084 PolarHBondContact NH1-O 2.96Å; R1034-P1084 PolarHBondContact NH2-O 2.99Å; R1034-P1084 VanDerWaalsContact NH2-O 3.12Å; R1034-L1087 PolarHBondContact NH1-O 3.21Å; R1034-P1089 HydrophobicContact CB-CG 3.95Å
1035E78.8Confident78.2Confident101 Ų10167.5 Ų67.547%0.47237%0.369SS..Hα-helixtrans-86.4-29.2172.6-75.2-176.8-179.900111.9A1031 D1032 P1089 R1093A1031-E1035 PolarHBondContact O-N 3.47Å; A1031-E1035 VanDerWaalsContact O-N 3.14Å; D1032-E1035 PolarHBondContact O-N 3.47Å; E1035-P1089 HydrophobicContact CG-CB 3.7Å; E1035-P1089 HydrophobicContact CG-CG 3.71Å; E1035-P1089 WeakPolarHBondContact OE1-CB 3.32Å; E1035-R1093 IonicContact OE1-CZ 2.8Å; E1035-R1093 IonicContact OE1-NH1 3.78Å; E1035-R1093 PolarHBondContact OE1-NH1 3.41Å; E1035-R1093 IonicContact OE1-NH2 2.76Å; E1035-R1093 IonicContact OE2-CZ 3.34Å; E1035-R1093 IonicContact OE2-NH1 3.63Å; E1035-R1093 PolarHBondContact OE2-NH1 2.94Å; E1035-R1093 IonicContact OE2-NH2 3Å; E1035-R1093 PolarHBondContact OE2-NH2 2.94Å
1036E75.4Confident78Confident173 Ų17364.3 Ų64.381%0.80836%0.358SS*.Hα-helixtrans-81-53.2175.8-64.2-168.2172.600113D1032 G1038D1032-E1036 PolarHBondContact O-N 2.89Å; E1036-G1038 VanDerWaalsContact C-N 3.31Å; E1036-G1038 PolarHBondContact O-N 3.01Å
1037D65.6Low77.7Confident128 Ų12863.6 Ų63.668%0.68435%0.353SS*.SBendtrans-75.6-17.2-177.6-82-26.8000113.8D1033 C1039D1033-D1037 WeakPolarHBondContact O-CB 3.41Å; D1033-D1037 PolarHBondContact O-N 3.27Å; D1037-C1039 HydrophobicContact CB-CB 4.33Å; D1037-C1039 PolarHBondContact O-N 3.03Å; D1037-C1039 PolarHBondContact O-SG 2.81Å
1038G59.3Low77.1Confident63 Ų6370.1 Ų70.165%0.64939%0.387SS*.  trans59.914-173.600000114.9E1036E1036-G1038 VanDerWaalsContact C-N 3.31Å; E1036-G1038 PolarHBondContact O-N 3.01Å
1039C50.4Low76.8Confident69 Ų6970.6 Ų70.647%0.46639%0.393SS..  trans-116.4113-171.5-70.90000112.5D1037 Q1041D1037-C1039 HydrophobicContact CB-CB 4.33Å; D1037-C1039 PolarHBondContact O-N 3.03Å; D1037-C1039 PolarHBondContact O-SG 2.81Å; C1039-Q1041 VanDerWaalsContact C-N 3.34Å; C1039-Q1041 PolarHBondContact O-N 2.72Å
1040S62Low76.4Confident83 Ų8370.6 Ų70.658%0.5840%0.399SS*.  trans-78.770.3-179.7-49.40000113.4A1085S1040-A1085 WeakPolarHBondContact O-CB 3.35Å
1041Q76.3Confident75.9Confident146 Ų14675.6 Ų75.668%0.68242%0.422SS*.  trans-89.9158.4174.1-60.3-162.63700112.8R1034 C1039 V1043R1034-Q1041 PolarHBondContact NH2-O 3.41Å; C1039-Q1041 VanDerWaalsContact C-N 3.34Å; C1039-Q1041 PolarHBondContact O-N 2.72Å; Q1041-V1043 PolarHBondContact O-N 3.36Å
1042A79.3Confident75.7Confident44 Ų4476 Ų7636%0.36442%0.424SS..  trans-86.6101.8-177.700000112I1083A1042-I1083 WeakPolarHBondContact CA-O 3.28Å
1043V81.3Confident75.3Confident44 Ų4478.4 Ų78.427%0.26743%0.434SS..EExtended strand (participates in β ladder)trans-79.3127.2-172.4-176.80000110.4A1030 Q1041 R1082 I1083A1030-V1043 HydrophobicContact CB-CB 4.37Å; A1030-V1043 HydrophobicContact CB-CG1 4.38Å; A1030-V1043 HydrophobicContact CB-CG2 4.17Å; Q1041-V1043 PolarHBondContact O-N 3.36Å; V1043-R1082 CarbonylContact O-C 3.52Å; V1043-R1082 VanDerWaalsContact O-CA 3.32Å; V1043-R1082 WeakPolarHBondContact O-CA 3.49Å; V1043-I1083 HydrophobicContact CB-CB 4.46Å; V1043-I1083 PolarHBondContact N-O 3.08Å; V1043-I1083 PolarHBondContact O-N 2.72Å
1044P82.8Confident75.1Confident57 Ų5781.9 Ų81.937%0.3745%0.448SS..EExtended strand (participates in β ladder)trans-77142.4174.932.1-33.7000112.1V1046 F1080 W1081P1044-V1046 HydrophobicContact CB-CG2 4.38Å; P1044-V1046 HydrophobicContact CG-CG2 4.49Å; P1044-F1080 HydrophobicContact CB-CB 4.21Å; P1044-W1081 CarbonylContact C-O 3.5Å; P1044-W1081 WeakPolarHBondContact CA-O 3.49Å
1045L82Confident74.9Confident2 Ų281 Ų811%0.0145%0.445CS..  trans-90.498.9167.6-67.5177.4000108.7W1022 L1023 C1026 L1065 V1070 W1081 I1083W1022-L1045 HydrophobicContact CH2-CB 4.2Å; W1022-L1045 HydrophobicContact CZ2-CB 4.42Å; L1023-L1045 HydrophobicContact CD1-CD1 3.73Å; L1023-L1045 HydrophobicContact CD1-CD2 4.28Å; C1026-L1045 HydrophobicContact CB-CD2 3.59Å; L1045-L1065 HydrophobicContact CD1-CD2 3.97Å; L1045-V1070 HydrophobicContact CD1-CG1 3.82Å; L1045-V1070 HydrophobicContact CD1-CG2 4.49Å; L1045-W1081 PolarHBondContact N-O 2.98Å; L1045-I1083 HydrophobicContact CD2-CD1 3.99Å; L1045-I1083 HydrophobicContact CD2-CG1 4.26Å; L1045-I1083 HydrophobicContact CG-CG1 4.31Å
1046V82.4Confident74.8Confident56 Ų5677.3 Ų77.334%0.33943%0.428SS..  trans-95.5112175.3-177.80000108.2W1022 P1044 L1048 F1080W1022-V1046 WeakPolarHBondContact CZ2-O 3.32Å; P1044-V1046 HydrophobicContact CB-CG2 4.38Å; P1044-V1046 HydrophobicContact CG-CG2 4.49Å; V1046-L1048 HydrophobicContact CG1-CD2 4.08Å; V1046-F1080 HydrophobicContact CG1-CE1 4.06Å; V1046-F1080 HydrophobicContact CG1-CZ 4.08Å; V1046-F1080 HydrophobicContact CG2-CD1 4.31Å; V1046-F1080 HydrophobicContact CG2-CD2 4.05Å; V1046-F1080 HydrophobicContact CG2-CE1 4.45Å; V1046-F1080 HydrophobicContact CG2-CE2 4.19Å; V1046-F1080 HydrophobicContact CG2-CG 4.11Å; V1046-F1080 HydrophobicContact CG2-CZ 4.39Å
1047P79.6Confident74.8Confident17 Ų1776.8 Ų76.811%0.1143%0.425CS..  trans-64.7144.1169.630.2-34.7000109.3W1022 N1052 E1053W1022-P1047 HydrophobicContact CH2-CB 4.34Å; W1022-P1047 HydrophobicContact CZ2-CB 4.37Å; P1047-N1052 HydrophobicContact CB-CB 3.64Å; P1047-E1053 HydrophobicContact CB-CG 3.76Å; P1047-E1053 HydrophobicContact CG-CG 3.7Å
1048L75.1Confident75.7Confident141 Ų14172.5 Ų72.574%0.73840%0.403SS*.  trans-125.45.8-176-64175.9000113V1046V1046-L1048 HydrophobicContact CG1-CD2 4.08Å
1049T79.8Confident76.6Confident69 Ų6976.6 Ų76.642%0.42341%0.405SS..SBendtrans-148.3151.9178.560.80000109.3E1051 N1052 E1053T1049-E1051 VanDerWaalsContact C-N 3.29Å; T1049-E1051 PolarHBondContact O-N 2.87Å; T1049-N1052 WeakPolarHBondContact O-CA 3.37Å; T1049-N1052 WeakPolarHBondContact O-CB 3.31Å; T1049-N1052 PolarHBondContact O-N 3.3Å; T1049-N1052 PolarHBondContact OG1-ND2 3.48Å; T1049-E1053 PolarHBondContact O-N 3.02Å; T1049-E1053 VanDerWaalsContact O-N 3.17Å
1050E76.3Confident77.8Confident156 Ų15676.2 Ų76.273%0.72940%0.396SS*.Hα-helixtrans-55.5-42.1-178.4-62.5169.6165.100111.6N1052 E1053 E1054E1050-N1052 PolarHBondContact O-N 3.12Å; E1050-N1052 VanDerWaalsContact O-N 3.15Å; E1050-E1053 PolarHBondContact O-N 2.96Å; E1050-E1054 PolarHBondContact O-N 2.98Å
1051E74.4Confident78.8Confident105 Ų10572.3 Ų72.349%0.49137%0.369SS..Hα-helixtrans-54.3-33173-66.9179.6-154.800114.1T1018 P1019 T1049 A1055T1018-E1051 WeakPolarHBondContact CB-OE2 3.2Å; T1018-E1051 PolarHBondContact OG1-OE2 3.1Å; P1019-E1051 HydrophobicContact CG-CB 4.49Å; P1019-E1051 WeakPolarHBondContact CG-O 3.43Å; T1049-E1051 VanDerWaalsContact C-N 3.29Å; T1049-E1051 PolarHBondContact O-N 2.87Å; E1051-A1055 WeakPolarHBondContact O-CB 3.42Å; E1051-A1055 PolarHBondContact O-N 3.44Å
1052N79.8Confident79Confident8 Ų867.5 Ų67.54%0.04335%0.346CS..Hα-helixtrans-83.1-28.9177.7-74-55.3000111.9P1019 W1022 P1047 T1049 E1050 M1056P1019-N1052 VanDerWaalsContact CA-OD1 3.23Å; P1019-N1052 WeakPolarHBondContact CA-OD1 3.41Å; P1019-N1052 WeakPolarHBondContact CB-OD1 3.5Å; W1022-N1052 HydrophobicContact CD2-CB 4.36Å; W1022-N1052 VanDerWaalsContact CD2-OD1 3.3Å; W1022-N1052 HydrophobicContact CE3-CB 4.21Å; W1022-N1052 HydrophobicContact CZ3-CB 4.39Å; P1047-N1052 HydrophobicContact CB-CB 3.64Å; T1049-N1052 WeakPolarHBondContact O-CA 3.37Å; T1049-N1052 WeakPolarHBondContact O-CB 3.31Å; T1049-N1052 PolarHBondContact O-N 3.3Å; T1049-N1052 PolarHBondContact OG1-ND2 3.48Å; E1050-N1052 PolarHBondContact O-N 3.12Å; E1050-N1052 VanDerWaalsContact O-N 3.15Å; N1052-M1056 WeakPolarHBondContact O-CG 3.36Å; N1052-M1056 PolarHBondContact O-N 3.22Å; N1052-M1056 VanDerWaalsContact O-N 3.11Å
1053E77.4Confident79Confident106 Ų10669.4 Ų69.450%0.49535%0.348SS..Hα-helixtrans-70.8-48.8174.9-64.9-175.6161.600110.3P1047 T1049 E1050 A1055 M1056 E1057P1047-E1053 HydrophobicContact CB-CG 3.76Å; P1047-E1053 HydrophobicContact CG-CG 3.7Å; T1049-E1053 PolarHBondContact O-N 3.02Å; T1049-E1053 VanDerWaalsContact O-N 3.17Å; E1050-E1053 PolarHBondContact O-N 2.96Å; E1053-A1055 VanDerWaalsContact C-N 3.27Å; E1053-A1055 PolarHBondContact O-N 2.88Å; E1053-M1056 PolarHBondContact O-N 3.1Å; E1053-E1057 PolarHBondContact O-N 2.98Å; E1053-E1057 VanDerWaalsContact O-N 3.14Å
1054E75.6Confident79Confident134 Ų13467.3 Ų67.363%0.62634%0.335SS*.Hα-helixtrans-56.8-39.1173.1-67.8-174.5166.300112.3E1050 E1057 N1058E1050-E1054 PolarHBondContact O-N 2.98Å; E1054-E1057 PolarHBondContact O-N 3.4Å; E1054-N1058 PolarHBondContact O-N 2.95Å
1055A79.8Confident78.9Confident0 Ų064.6 Ų64.60%032%0.318CS..Hα-helixtrans-64.8-38.3174.400000112.7F1016 P1019 E1051 E1053 E1057 N1058 F1061F1016-A1055 HydrophobicContact CD1-CB 3.8Å; F1016-A1055 HydrophobicContact CE1-CB 4.07Å; P1019-A1055 HydrophobicContact CB-CB 3.58Å; P1019-A1055 HydrophobicContact CG-CB 3.73Å; E1051-A1055 WeakPolarHBondContact O-CB 3.42Å; E1051-A1055 PolarHBondContact O-N 3.44Å; E1053-A1055 VanDerWaalsContact C-N 3.27Å; E1053-A1055 PolarHBondContact O-N 2.88Å; A1055-E1057 VanDerWaalsContact C-N 3.3Å; A1055-E1057 PolarHBondContact O-N 3.31Å; A1055-N1058 PolarHBondContact O-N 3.19Å; A1055-F1061 HydrophobicContact CB-CD1 4.29Å; A1055-F1061 HydrophobicContact CB-CD2 4.43Å; A1055-F1061 HydrophobicContact CB-CE1 4.32Å; A1055-F1061 HydrophobicContact CB-CE2 4.46Å; A1055-F1061 HydrophobicContact CB-CG 4.35Å; A1055-F1061 HydrophobicContact CB-CZ 4.41Å; A1055-F1061 WeakPolarHBondContact O-CB 3.07Å; A1055-F1061 VanDerWaalsContact O-CD1 3.26Å; A1055-F1061 WeakPolarHBondContact O-CD1 3.37Å; A1055-F1061 WeakPolarHBondContact O-CG 3.48Å
1056M75.9Confident78.9Confident22 Ų2271.2 Ų71.211%0.10834%0.342CS..Hα-helixtrans-71.4-24179.1-69.8-70.2-68.800112.8W1022 N1052 E1053 F1061 Q1062 L1065 W1081W1022-M1056 HydrophobicContact CH2-CG 4.38Å; W1022-M1056 HydrophobicContact CH2-SD 4.13Å; W1022-M1056 HydrophobicContact CZ3-CG 4.38Å; W1022-M1056 HydrophobicContact CZ3-SD 4.1Å; N1052-M1056 WeakPolarHBondContact O-CG 3.36Å; N1052-M1056 PolarHBondContact O-N 3.22Å; N1052-M1056 VanDerWaalsContact O-N 3.11Å; E1053-M1056 PolarHBondContact O-N 3.1Å; M1056-F1061 HydrophobicContact SD-CD1 4.25Å; M1056-F1061 HydrophobicContact SD-CE1 3.88Å; M1056-Q1062 WeakPolarHBondContact O-CG 3.25Å; M1056-Q1062 PolarHBondContact O-NE2 2.82Å; M1056-L1065 HydrophobicContact CE-CD1 4Å; M1056-L1065 HydrophobicContact SD-CD1 3.61Å; M1056-W1081 HydrophobicContact CE-CB 3.93Å; M1056-W1081 HydrophobicContact CE-CD2 4.4Å; M1056-W1081 HydrophobicContact CE-CG 3.63Å
1057E76.8Confident78.6Confident162 Ų16273.5 Ų73.576%0.75735%0.348SS*.Hα-helixtrans-77.7-25.7171.6-64.5-164158.900113.3E1053 E1054 A1055 E1059E1053-E1057 PolarHBondContact O-N 2.98Å; E1053-E1057 VanDerWaalsContact O-N 3.14Å; E1054-E1057 PolarHBondContact O-N 3.4Å; A1055-E1057 VanDerWaalsContact C-N 3.3Å; A1055-E1057 PolarHBondContact O-N 3.31Å; E1057-E1059 PolarHBondContact O-N 3.13Å
1058N83.5Confident78.5Confident38 Ų3873.5 Ų73.520%0.20335%0.347CS..  trans-68.3123.4-177.3-176.3-22.2000113.1F1016 E1054 A1055 Q1060 F1061 Q1062F1016-N1058 WeakPolarHBondContact CE2-ND2 3.45Å; F1016-N1058 WeakPolarHBondContact CZ-ND2 3.35Å; E1054-N1058 PolarHBondContact O-N 2.95Å; A1055-N1058 PolarHBondContact O-N 3.19Å; N1058-Q1060 VanDerWaalsContact C-N 3.28Å; N1058-Q1060 PolarHBondContact O-N 2.95Å; N1058-Q1060 PolarHBondContact OD1-N 3.23Å; N1058-F1061 HydrophobicContact CB-CB 4.28Å; N1058-F1061 PolarHBondContact O-N 2.83Å; N1058-F1061 VanDerWaalsContact O-N 3.09Å; N1058-Q1062 PolarHBondContact O-N 2.77Å
1059E78.4Confident78.4Confident149 Ų14968.5 Ų68.570%0.69633%0.329SS*.Hα-helixtrans-54.6-36.9178.7-66.2-163.7160.200114.2E1057 Q1063E1057-E1059 PolarHBondContact O-N 3.13Å; E1059-Q1063 WeakPolarHBondContact O-CB 3.23Å; E1059-Q1063 VanDerWaalsContact O-CG 3.24Å; E1059-Q1063 WeakPolarHBondContact O-CG 3.41Å; E1059-Q1063 PolarHBondContact O-N 2.97Å
1060Q76.3Confident78.5Confident62 Ų6265.4 Ų65.429%0.2931%0.31SS..Hα-helixtrans-66.5-40.8178.7-69.5-160.759.300111.6L1011 E1014 N1058 Q1063 L1064L1011-Q1060 HydrophobicContact CD2-CB 3.81Å; L1011-Q1060 HydrophobicContact CG-CB 4.48Å; E1014-Q1060 VanDerWaalsContact CD-NE2 3.26Å; E1014-Q1060 PolarHBondContact OE1-NE2 2.87Å; E1014-Q1060 PolarHBondContact OE2-NE2 3.07Å; N1058-Q1060 VanDerWaalsContact C-N 3.28Å; N1058-Q1060 PolarHBondContact O-N 2.95Å; N1058-Q1060 PolarHBondContact OD1-N 3.23Å; Q1060-Q1063 WeakPolarHBondContact O-CB 3.31Å; Q1060-Q1063 PolarHBondContact O-N 3.48Å; Q1060-L1064 PolarHBondContact O-N 3.2Å
1061F81.9Confident78.6Confident0 Ų065 Ų650%030%0.302CS..Hα-helixtrans-72.1-39.2178.8-163.9-95.7000111L1011 P1019 L1020 W1022 L1023 A1055 M1056 N1058 Q1063 L1064 L1065L1011-F1061 HydrophobicContact CD1-CD2 4.18Å; P1019-F1061 HydrophobicContact CB-CE2 4.09Å; P1019-F1061 HydrophobicContact CB-CZ 4.09Å; L1020-F1061 HydrophobicContact CD2-CE2 4.09Å; L1020-F1061 HydrophobicContact CG-CE2 4.42Å; W1022-F1061 HydrophobicContact CZ3-CE1 4.49Å; L1023-F1061 HydrophobicContact CB-CZ 4.45Å; L1023-F1061 HydrophobicContact CD2-CZ 4.09Å; A1055-F1061 HydrophobicContact CB-CD1 4.29Å; A1055-F1061 HydrophobicContact CB-CD2 4.43Å; A1055-F1061 HydrophobicContact CB-CE1 4.32Å; A1055-F1061 HydrophobicContact CB-CE2 4.46Å; A1055-F1061 HydrophobicContact CB-CG 4.35Å; A1055-F1061 HydrophobicContact CB-CZ 4.41Å; A1055-F1061 WeakPolarHBondContact O-CB 3.07Å; A1055-F1061 VanDerWaalsContact O-CD1 3.26Å; A1055-F1061 WeakPolarHBondContact O-CD1 3.37Å; A1055-F1061 WeakPolarHBondContact O-CG 3.48Å; M1056-F1061 HydrophobicContact SD-CD1 4.25Å; M1056-F1061 HydrophobicContact SD-CE1 3.88Å; N1058-F1061 HydrophobicContact CB-CB 4.28Å; N1058-F1061 PolarHBondContact O-N 2.83Å; N1058-F1061 VanDerWaalsContact O-N 3.09Å; F1061-Q1063 VanDerWaalsContact C-N 3.31Å; F1061-Q1063 PolarHBondContact O-N 2.99Å; F1061-L1064 WeakPolarHBondContact O-CB 3.33Å; F1061-L1064 PolarHBondContact O-N 3.41Å; F1061-L1064 VanDerWaalsContact O-N 3.14Å; F1061-L1065 HydrophobicContact CD1-CD1 3.9Å; F1061-L1065 HydrophobicContact CD1-CG 4.27Å; F1061-L1065 HydrophobicContact CE1-CD1 4.01Å; F1061-L1065 HydrophobicContact CE1-CG 4.29Å; F1061-L1065 WeakPolarHBondContact O-CG 3.32Å; F1061-L1065 PolarHBondContact O-N 2.76Å
1062Q81.8Confident78.8Confident45 Ų4562.5 Ų62.521%0.2130%0.295CS..Hα-helixtrans-61.3-38169.9-67-17018.400112.6M1056 N1058 L1065 R1066 W1081M1056-Q1062 WeakPolarHBondContact O-CG 3.25Å; M1056-Q1062 PolarHBondContact O-NE2 2.82Å; N1058-Q1062 PolarHBondContact O-N 2.77Å; Q1062-L1065 PolarHBondContact O-N 2.97Å; Q1062-R1066 WeakPolarHBondContact O-CG 3.38Å; Q1062-R1066 PolarHBondContact O-N 3.23Å; Q1062-W1081 HydrophobicContact CB-CH2 3.91Å; Q1062-W1081 HydrophobicContact CB-CZ2 3.88Å; Q1062-W1081 HydrophobicContact CG-CH2 4.24Å; Q1062-W1081 HydrophobicContact CG-CZ2 3.69Å
1063Q77.4Confident78.7Confident85 Ų8564.4 Ų64.440%0.39731%0.308SS..Hα-helixtrans-66.2-36.2173.3-76.7177.952.200112.2E1059 Q1060 F1061 K1067E1059-Q1063 WeakPolarHBondContact O-CB 3.23Å; E1059-Q1063 VanDerWaalsContact O-CG 3.24Å; E1059-Q1063 WeakPolarHBondContact O-CG 3.41Å; E1059-Q1063 PolarHBondContact O-N 2.97Å; Q1060-Q1063 WeakPolarHBondContact O-CB 3.31Å; Q1060-Q1063 PolarHBondContact O-N 3.48Å; F1061-Q1063 VanDerWaalsContact C-N 3.31Å; F1061-Q1063 PolarHBondContact O-N 2.99Å; Q1063-K1067 WeakPolarHBondContact O-CB 3.33Å; Q1063-K1067 WeakPolarHBondContact O-CD 3.43Å; Q1063-K1067 VanDerWaalsContact O-CG 3.26Å; Q1063-K1067 WeakPolarHBondContact O-CG 3.22Å; Q1063-K1067 PolarHBondContact O-N 3.43Å; Q1063-K1067 VanDerWaalsContact O-N 3.12Å
1064L81.5Confident77.6Confident0 Ų062.5 Ų62.50%031%0.31CS..Hα-helixtrans-61.4-53.5170.7-177.666.5000110.2L1011 L1020 Q1060 F1061 R1066 K1067 L1068 L1099L1011-L1064 HydrophobicContact CD1-CB 4.16Å; L1011-L1064 HydrophobicContact CD1-CD2 3.86Å; L1020-L1064 HydrophobicContact CD2-CD2 3.64Å; Q1060-L1064 PolarHBondContact O-N 3.2Å; F1061-L1064 WeakPolarHBondContact O-CB 3.33Å; F1061-L1064 PolarHBondContact O-N 3.41Å; F1061-L1064 VanDerWaalsContact O-N 3.14Å; L1064-R1066 VanDerWaalsContact C-N 3.32Å; L1064-R1066 PolarHBondContact O-N 2.91Å; L1064-K1067 CarbonylContact O-C 3.55Å; L1064-K1067 WeakPolarHBondContact O-CA 3.5Å; L1064-K1067 WeakPolarHBondContact O-CB 3.49Å; L1064-K1067 PolarHBondContact O-N 3.13Å; L1064-L1068 HydrophobicContact CD1-CD2 4.19Å; L1064-L1068 HydrophobicContact CD1-CG 4.29Å; L1064-L1068 HydrophobicContact CG-CD1 4.29Å; L1064-L1068 HydrophobicContact CG-CG 4.25Å; L1064-L1068 WeakPolarHBondContact O-CG 3.41Å; L1064-L1068 PolarHBondContact O-N 3.48Å; L1064-L1099 HydrophobicContact CD2-CD2 4.23Å
1065L82.3Confident76.9Confident0 Ų059.7 Ų59.70%031%0.305CS..Hα-helixtrans-53.9-44.8179.9-71.4170.6000112.8L1023 L1045 M1056 F1061 Q1062 K1067 L1068 G1069 V1070 W1081L1023-L1065 HydrophobicContact CD1-CD2 3.72Å; L1023-L1065 HydrophobicContact CD2-CD2 3.76Å; L1023-L1065 HydrophobicContact CG-CD2 4.42Å; L1045-L1065 HydrophobicContact CD1-CD2 3.97Å; M1056-L1065 HydrophobicContact CE-CD1 4Å; M1056-L1065 HydrophobicContact SD-CD1 3.61Å; F1061-L1065 HydrophobicContact CD1-CD1 3.9Å; F1061-L1065 HydrophobicContact CD1-CG 4.27Å; F1061-L1065 HydrophobicContact CE1-CD1 4.01Å; F1061-L1065 HydrophobicContact CE1-CG 4.29Å; F1061-L1065 WeakPolarHBondContact O-CG 3.32Å; F1061-L1065 PolarHBondContact O-N 2.76Å; Q1062-L1065 PolarHBondContact O-N 2.97Å; L1065-K1067 PolarHBondContact O-N 2.89Å; L1065-L1068 PolarHBondContact O-N 2.9Å; L1065-G1069 PolarHBondContact O-N 3.05Å; L1065-V1070 HydrophobicContact CB-CB 4.23Å; L1065-V1070 HydrophobicContact CD2-CB 4.3Å; L1065-V1070 HydrophobicContact CD2-CG1 4.45Å; L1065-V1070 HydrophobicContact CD2-CG2 4.02Å; L1065-V1070 WeakPolarHBondContact O-CB 3.3Å; L1065-V1070 PolarHBondContact O-N 3.31Å; L1065-W1081 HydrophobicContact CB-CE3 3.87Å; L1065-W1081 HydrophobicContact CB-CH2 4.17Å; L1065-W1081 HydrophobicContact CB-CZ3 3.58Å; L1065-W1081 HydrophobicContact CD1-CD2 4.14Å; L1065-W1081 HydrophobicContact CD1-CE3 4.14Å; L1065-W1081 HydrophobicContact CD1-CZ3 4.36Å
1066R81Confident75.6Confident140 Ų14069.3 Ų69.353%0.52835%0.35SS..Hα-helixtrans-62.1-40.9174.6-67.6175.2-164.2162.113.5112Q1062 L1064 L1068 G1069 W1081Q1062-R1066 WeakPolarHBondContact O-CG 3.38Å; Q1062-R1066 PolarHBondContact O-N 3.23Å; L1064-R1066 VanDerWaalsContact C-N 3.32Å; L1064-R1066 PolarHBondContact O-N 2.91Å; R1066-L1068 VanDerWaalsContact C-N 3.34Å; R1066-G1069 PolarHBondContact O-N 3Å; R1066-G1069 VanDerWaalsContact O-N 3.12Å; R1066-W1081 HydrophobicContact CG-CH2 3.75Å; R1066-W1081 HydrophobicContact CG-CZ3 3.72Å
1067K77.1Confident74.6Confident104 Ų10476.8 Ų76.845%0.45239%0.385SS..Hα-helixtrans-68.7-28.7175.9-73.2166.8-177.7166.30113.2T1004 L1007 Q1063 L1064 L1065 G1069T1004-K1067 HydrophobicContact CG2-CB 4.44Å; L1007-K1067 HydrophobicContact CD1-CD 4.17Å; Q1063-K1067 WeakPolarHBondContact O-CB 3.33Å; Q1063-K1067 WeakPolarHBondContact O-CD 3.43Å; Q1063-K1067 VanDerWaalsContact O-CG 3.26Å; Q1063-K1067 WeakPolarHBondContact O-CG 3.22Å; Q1063-K1067 PolarHBondContact O-N 3.43Å; Q1063-K1067 VanDerWaalsContact O-N 3.12Å; L1064-K1067 CarbonylContact O-C 3.55Å; L1064-K1067 WeakPolarHBondContact O-CA 3.5Å; L1064-K1067 WeakPolarHBondContact O-CB 3.49Å; L1064-K1067 PolarHBondContact O-N 3.13Å; L1065-K1067 PolarHBondContact O-N 2.89Å; K1067-G1069 PolarHBondContact O-N 2.95Å
1068L75.6Confident74Confident18 Ų1871.6 Ų71.69%0.09436%0.36CS..THydrogen-bonded Turntrans-78.6-3.2171.6-57.5-167.1000113.2T1004 L1023 L1027 L1064 L1065 R1066 V1070 V1095 L1099T1004-L1068 HydrophobicContact CG2-CD2 4.25Å; L1023-L1068 HydrophobicContact CD2-CD1 4.08Å; L1027-L1068 HydrophobicContact CD1-CD1 4.36Å; L1064-L1068 HydrophobicContact CD1-CD2 4.19Å; L1064-L1068 HydrophobicContact CD1-CG 4.29Å; L1064-L1068 HydrophobicContact CG-CD1 4.29Å; L1064-L1068 HydrophobicContact CG-CG 4.25Å; L1064-L1068 WeakPolarHBondContact O-CG 3.41Å; L1064-L1068 PolarHBondContact O-N 3.48Å; L1065-L1068 PolarHBondContact O-N 2.9Å; R1066-L1068 VanDerWaalsContact C-N 3.34Å; L1068-V1070 HydrophobicContact CB-CG2 4.37Å; L1068-V1095 HydrophobicContact CB-CG1 4.26Å; L1068-V1095 HydrophobicContact CD1-CG1 3.85Å; L1068-V1095 HydrophobicContact CD2-CG1 3.75Å; L1068-V1095 HydrophobicContact CG-CG1 4.14Å; L1068-L1099 HydrophobicContact CD1-CD1 4.29Å; L1068-L1099 HydrophobicContact CD1-CD2 4.3Å
1069G73.7Confident73.1Confident36 Ų3675.3 Ų75.337%0.37138%0.384SS..THydrogen-bonded Turntrans79.117.9-179.300000114.5L1065 R1066 K1067 P1084L1065-G1069 PolarHBondContact O-N 3.05Å; R1066-G1069 PolarHBondContact O-N 3Å; R1066-G1069 VanDerWaalsContact O-N 3.12Å; K1067-G1069 PolarHBondContact O-N 2.95Å; G1069-P1084 WeakPolarHBondContact O-CD 3.36Å; G1069-P1084 WeakPolarHBondContact O-CG 3.18Å
1070V82.6Confident73.2Confident4 Ų472.1 Ų72.12%0.02437%0.369CS..PPolyproline II helixtrans-76.1129.1171.1-172.90000108.6L1045 L1065 L1068 W1081 R1082L1045-V1070 HydrophobicContact CD1-CG1 3.82Å; L1045-V1070 HydrophobicContact CD1-CG2 4.49Å; L1065-V1070 HydrophobicContact CB-CB 4.23Å; L1065-V1070 HydrophobicContact CD2-CB 4.3Å; L1065-V1070 HydrophobicContact CD2-CG1 4.45Å; L1065-V1070 HydrophobicContact CD2-CG2 4.02Å; L1065-V1070 WeakPolarHBondContact O-CB 3.3Å; L1065-V1070 PolarHBondContact O-N 3.31Å; L1068-V1070 HydrophobicContact CB-CG2 4.37Å; V1070-W1081 HydrophobicContact CB-CE3 4.37Å; V1070-W1081 HydrophobicContact CG1-CB 3.99Å; V1070-W1081 HydrophobicContact CG1-CE3 4.06Å; V1070-R1082 VanDerWaalsContact CG1-O 3.31Å; V1070-R1082 WeakPolarHBondContact CG1-O 3.3Å
1071R77.6Confident73.6Confident148 Ų14870.2 Ų70.256%0.55836%0.359SS*.BIsolated β-bridgetrans-81.2131.2-179.4-161.4-168.5178.7163.22.6109.7W1081 R1082 P1084R1071-W1081 WeakPolarHBondContact O-CA 3.48Å; R1071-R1082 PolarHBondContact N-O 3.4Å; R1071-R1082 PolarHBondContact O-N 3.14Å; R1071-P1084 HydrophobicContact CB-CG 4.38Å
1072P79.6Confident73.6Confident51 Ų5174 Ų7433%0.33137%0.373SS..PPolyproline II helixtrans-66.7156.716530.4-35.2000110.6W1081P1072-W1081 HydrophobicContact CB-CD2 4.12Å; P1072-W1081 HydrophobicContact CB-CE3 4.08Å; P1072-W1081 HydrophobicContact CB-CH2 4.1Å; P1072-W1081 HydrophobicContact CB-CZ2 4.07Å; P1072-W1081 HydrophobicContact CB-CZ3 4.07Å
1073P77.2Confident73.7Confident49 Ų4971.8 Ų71.832%0.31836%0.363SS..PPolyproline II helixtrans-57.3139.717124.3-33.3000111E1078P1073-E1078 HydrophobicContact CB-CB 3.68Å; P1073-E1078 WeakPolarHBondContact CB-O 3.28Å
1074A55.1Low73.8Confident66 Ų6669.4 Ų69.455%0.54535%0.354SS..  trans-119.7-0.1-170.900000114.9
1075S59.6Low73.7Confident74 Ų7471.4 Ų71.452%0.51737%0.371SS..SBendtrans-151.9158.4-177.8177.60000110Q1077 E1078S1075-Q1077 PolarHBondContact O-N 2.83Å; S1075-E1078 PolarHBondContact O-N 2.98Å
1076E52.3Low73.5Confident202 Ų20280.9 Ų80.994%0.94441%0.412SS*.THydrogen-bonded Turntrans-58.6-16.7179.3-61.1-173.9165.600113.7
1077Q56.3Low73.4Confident179 Ų17976.1 Ų76.184%0.83640%0.397SS*.THydrogen-bonded Turntrans-85.1-5.6175.5-60.2-176.57.400114.1S1075S1075-Q1077 PolarHBondContact O-N 2.83Å
1078E63.2Low73.7Confident53 Ų5373.2 Ų73.225%0.24839%0.39CS..  trans-114.5113.1-179.6-58.3-152.9112.600111.6P1073 S1075 R1082P1073-E1078 HydrophobicContact CB-CB 3.68Å; P1073-E1078 WeakPolarHBondContact CB-O 3.28Å; S1075-E1078 PolarHBondContact O-N 2.98Å; E1078-R1082 IonicContact OE1-CZ 3.97Å; E1078-R1082 IonicContact OE1-NE 3.84Å; E1078-R1082 PolarHBondContact OE1-NE 2.94Å; E1078-R1082 IonicContact OE1-NH2 2.91Å; E1078-R1082 PolarHBondContact OE1-NH2 2.77Å
1079T64.9Low74.1Confident116 Ų11673.6 Ų73.671%0.71239%0.393SS*.  trans-93.7-19.3-179.7-31.30000113.4
1080F80.3Confident74.4Confident83 Ų8376.1 Ų76.136%0.36440%0.402SS..SBendtrans-123.9148.9-169.9-59-71.4000112.2P1044 V1046P1044-F1080 HydrophobicContact CB-CB 4.21Å; V1046-F1080 HydrophobicContact CG1-CE1 4.06Å; V1046-F1080 HydrophobicContact CG1-CZ 4.08Å; V1046-F1080 HydrophobicContact CG2-CD1 4.31Å; V1046-F1080 HydrophobicContact CG2-CD2 4.05Å; V1046-F1080 HydrophobicContact CG2-CE1 4.45Å; V1046-F1080 HydrophobicContact CG2-CE2 4.19Å; V1046-F1080 HydrophobicContact CG2-CG 4.11Å; V1046-F1080 HydrophobicContact CG2-CZ 4.39Å
1081W83.8Confident74.4Confident21 Ų2180.3 Ų80.38%0.0842%0.421CS..  trans-66.4150.7171.9-71.863.5000110.8P1044 L1045 M1056 Q1062 L1065 R1066 V1070 R1071 P1072P1044-W1081 CarbonylContact C-O 3.5Å; P1044-W1081 WeakPolarHBondContact CA-O 3.49Å; L1045-W1081 PolarHBondContact N-O 2.98Å; M1056-W1081 HydrophobicContact CE-CB 3.93Å; M1056-W1081 HydrophobicContact CE-CD2 4.4Å; M1056-W1081 HydrophobicContact CE-CG 3.63Å; Q1062-W1081 HydrophobicContact CB-CH2 3.91Å; Q1062-W1081 HydrophobicContact CB-CZ2 3.88Å; Q1062-W1081 HydrophobicContact CG-CH2 4.24Å; Q1062-W1081 HydrophobicContact CG-CZ2 3.69Å; L1065-W1081 HydrophobicContact CB-CE3 3.87Å; L1065-W1081 HydrophobicContact CB-CH2 4.17Å; L1065-W1081 HydrophobicContact CB-CZ3 3.58Å; L1065-W1081 HydrophobicContact CD1-CD2 4.14Å; L1065-W1081 HydrophobicContact CD1-CE3 4.14Å; L1065-W1081 HydrophobicContact CD1-CZ3 4.36Å; R1066-W1081 HydrophobicContact CG-CH2 3.75Å; R1066-W1081 HydrophobicContact CG-CZ3 3.72Å; V1070-W1081 HydrophobicContact CB-CE3 4.37Å; V1070-W1081 HydrophobicContact CG1-CB 3.99Å; V1070-W1081 HydrophobicContact CG1-CE3 4.06Å; R1071-W1081 WeakPolarHBondContact O-CA 3.48Å; P1072-W1081 HydrophobicContact CB-CD2 4.12Å; P1072-W1081 HydrophobicContact CB-CE3 4.08Å; P1072-W1081 HydrophobicContact CB-CH2 4.1Å; P1072-W1081 HydrophobicContact CB-CZ2 4.07Å; P1072-W1081 HydrophobicContact CB-CZ3 4.07Å
1082R82.9Confident74.6Confident79 Ų7973.3 Ų73.330%0.29840%0.395SS..EExtended strand (participates in β ladder)trans-127.6139.2-177.2-61.8-164.8-167.6-98.21.5114.8V1043 V1070 R1071 E1078 P1084V1043-R1082 CarbonylContact O-C 3.52Å; V1043-R1082 VanDerWaalsContact O-CA 3.32Å; V1043-R1082 WeakPolarHBondContact O-CA 3.49Å; V1070-R1082 VanDerWaalsContact CG1-O 3.31Å; V1070-R1082 WeakPolarHBondContact CG1-O 3.3Å; R1071-R1082 PolarHBondContact N-O 3.4Å; R1071-R1082 PolarHBondContact O-N 3.14Å; E1078-R1082 IonicContact OE1-CZ 3.97Å; E1078-R1082 IonicContact OE1-NE 3.84Å; E1078-R1082 PolarHBondContact OE1-NE 2.94Å; E1078-R1082 IonicContact OE1-NH2 2.91Å; E1078-R1082 PolarHBondContact OE1-NH2 2.77Å; R1082-P1084 VanDerWaalsContact O-CD 3.27Å; R1082-P1084 WeakPolarHBondContact O-CD 3.38Å
1083I83.8Confident74.9Confident0 Ų075.4 Ų75.40%040%0.396CS..EExtended strand (participates in β ladder)trans-75.5111.8167-56.8170.4000108.6L1027 A1030 R1034 A1042 V1043 L1045 L1087 L1092L1027-I1083 HydrophobicContact CD2-CD1 4.03Å; L1027-I1083 HydrophobicContact CD2-CG1 4.34Å; A1030-I1083 HydrophobicContact CB-CD1 3.7Å; R1034-I1083 PolarHBondContact NH2-O 3.02Å; R1034-I1083 VanDerWaalsContact NH2-O 3.08Å; A1042-I1083 WeakPolarHBondContact CA-O 3.28Å; V1043-I1083 HydrophobicContact CB-CB 4.46Å; V1043-I1083 PolarHBondContact N-O 3.08Å; V1043-I1083 PolarHBondContact O-N 2.72Å; L1045-I1083 HydrophobicContact CD2-CD1 3.99Å; L1045-I1083 HydrophobicContact CD2-CG1 4.26Å; L1045-I1083 HydrophobicContact CG-CG1 4.31Å; I1083-L1087 HydrophobicContact CG2-CD1 4.15Å; I1083-L1092 HydrophobicContact CG2-CD1 4.45Å; I1083-L1092 HydrophobicContact CG2-CD2 3.63Å
1084P80.3Confident75Confident34 Ų3481.7 Ų81.722%0.22141%0.414CS..  trans-64.8151.5-172.7-25.336.7000114.1R1034 G1069 R1071 R1082 K1086 L1087R1034-P1084 PolarHBondContact NH1-O 2.96Å; R1034-P1084 PolarHBondContact NH2-O 2.99Å; R1034-P1084 VanDerWaalsContact NH2-O 3.12Å; G1069-P1084 WeakPolarHBondContact O-CD 3.36Å; G1069-P1084 WeakPolarHBondContact O-CG 3.18Å; R1071-P1084 HydrophobicContact CB-CG 4.38Å; R1082-P1084 VanDerWaalsContact O-CD 3.27Å; R1082-P1084 WeakPolarHBondContact O-CD 3.38Å; P1084-K1086 PolarHBondContact O-N 2.71Å; P1084-K1086 VanDerWaalsContact O-N 3.16Å; P1084-L1087 PolarHBondContact O-N 2.98Å
1085A78.4Confident76.2Confident43 Ų4380.6 Ų80.636%0.35540%0.4SS..THydrogen-bonded Turntrans-55.1-27.1171.800000114S1040 L1087S1040-A1085 WeakPolarHBondContact O-CB 3.35Å; A1085-L1087 VanDerWaalsContact C-N 3.31Å; A1085-L1087 PolarHBondContact O-N 3.34Å
1086K78Confident77.2Confident198 Ų19877.1 Ų77.186%0.86138%0.376SS*.THydrogen-bonded Turntrans-74.5-14.1-175.2-63.2-179.9-179.1175.80114.2P1084P1084-K1086 PolarHBondContact O-N 2.71Å; P1084-K1086 VanDerWaalsContact O-N 3.16Å
1087L80.1Confident78.4Confident41 Ų4170.2 Ų70.222%0.21535%0.353CS..SBendtrans-84.3120.1178.9-64.9175.8000110.9R1034 I1083 P1084 A1085 L1092R1034-L1087 PolarHBondContact NH1-O 3.21Å; I1083-L1087 HydrophobicContact CG2-CD1 4.15Å; P1084-L1087 PolarHBondContact O-N 2.98Å; A1085-L1087 VanDerWaalsContact C-N 3.31Å; A1085-L1087 PolarHBondContact O-N 3.34Å; L1087-L1092 HydrophobicContact CB-CD2 3.84Å; L1087-L1092 HydrophobicContact CB-CG 4.1Å; L1087-L1092 HydrophobicContact CD1-CD2 3.79Å; L1087-L1092 HydrophobicContact CG-CD2 4.46Å
1088S82.1Confident79.1Confident42 Ų4263.2 Ų63.229%0.29433%0.326SS..  trans-74.4153.917668.90000112T1090 Q1091 L1092S1088-T1090 PolarHBondContact O-N 3.18Å; S1088-T1090 PolarHBondContact OG-OG1 3.49Å; S1088-Q1091 WeakPolarHBondContact O-CA 3.26Å; S1088-Q1091 WeakPolarHBondContact O-CB 3.27Å; S1088-Q1091 PolarHBondContact O-N 3.35Å; S1088-Q1091 VanDerWaalsContact OG-CD 3.31Å; S1088-Q1091 WeakPolarHBondContact OG-CG 3.37Å; S1088-Q1091 PolarHBondContact OG-N 3.31Å; S1088-Q1091 PolarHBondContact OG-OE1 3.5Å; S1088-L1092 PolarHBondContact O-N 3.36Å
1089P83.6Confident79.5Confident26 Ų2662.2 Ų62.217%0.16932%0.322CS..Hα-helixtrans-51.8-40.1175.8-30.537.4000113.7A1031 R1034 E1035 Q1091 L1092 R1093A1031-P1089 HydrophobicContact CB-CB 4.1Å; R1034-P1089 HydrophobicContact CB-CG 3.95Å; E1035-P1089 HydrophobicContact CG-CB 3.7Å; E1035-P1089 HydrophobicContact CG-CG 3.71Å; E1035-P1089 WeakPolarHBondContact OE1-CB 3.32Å; P1089-Q1091 VanDerWaalsContact C-N 3.27Å; P1089-Q1091 PolarHBondContact O-N 3.04Å; P1089-L1092 PolarHBondContact O-N 3.41Å; P1089-R1093 PolarHBondContact O-N 3.1Å
1090T81.3Confident79.3Confident90 Ų9060.9 Ų60.955%0.55231%0.311SS*.Hα-helixtrans-66-25.5177.270.90000114.2S1088 R1094S1088-T1090 PolarHBondContact O-N 3.18Å; S1088-T1090 PolarHBondContact OG-OG1 3.49Å; T1090-R1094 WeakPolarHBondContact O-CB 3.42Å; T1090-R1094 PolarHBondContact O-N 2.9Å
1091Q81.4Confident78Confident91 Ų9162.8 Ų62.843%0.42532%0.321SS..Hα-helixtrans-82.1-42.8173-71.3161.1-50.800110.5S1088 P1089 R1094 V1095S1088-Q1091 WeakPolarHBondContact O-CA 3.26Å; S1088-Q1091 WeakPolarHBondContact O-CB 3.27Å; S1088-Q1091 PolarHBondContact O-N 3.35Å; S1088-Q1091 VanDerWaalsContact OG-CD 3.31Å; S1088-Q1091 WeakPolarHBondContact OG-CG 3.37Å; S1088-Q1091 PolarHBondContact OG-N 3.31Å; S1088-Q1091 PolarHBondContact OG-OE1 3.5Å; P1089-Q1091 VanDerWaalsContact C-N 3.27Å; P1089-Q1091 PolarHBondContact O-N 3.04Å; Q1091-R1094 PolarHBondContact O-N 3.34Å; Q1091-V1095 WeakPolarHBondContact O-CG2 3.22Å; Q1091-V1095 PolarHBondContact O-N 3.45Å
1092L83.4Confident76.1Confident2 Ų266.8 Ų66.81%0.0135%0.35CS..Hα-helixtrans-58.5-51.2175.9-67.3174.5000111.7L1027 A1031 I1083 L1087 S1088 P1089 R1094 V1095 A1096L1027-L1092 HydrophobicContact CD2-CD2 3.82Å; A1031-L1092 HydrophobicContact CB-CB 3.8Å; A1031-L1092 HydrophobicContact CB-CD1 4.09Å; I1083-L1092 HydrophobicContact CG2-CD1 4.45Å; I1083-L1092 HydrophobicContact CG2-CD2 3.63Å; L1087-L1092 HydrophobicContact CB-CD2 3.84Å; L1087-L1092 HydrophobicContact CB-CG 4.1Å; L1087-L1092 HydrophobicContact CD1-CD2 3.79Å; L1087-L1092 HydrophobicContact CG-CD2 4.46Å; S1088-L1092 PolarHBondContact O-N 3.36Å; P1089-L1092 PolarHBondContact O-N 3.41Å; L1092-R1094 VanDerWaalsContact C-N 3.29Å; L1092-R1094 PolarHBondContact O-N 3.42Å; L1092-V1095 PolarHBondContact O-N 3.38Å; L1092-A1096 WeakPolarHBondContact O-CB 3.47Å; L1092-A1096 PolarHBondContact O-N 2.92Å
1093R85.2Confident73.5Confident94 Ų9472.3 Ų72.336%0.35538%0.379SS..Hα-helixtrans-62.7-31.9175.7-66-168.8-172.7131.3-9.3112.7A1031 D1032 E1035 P1089 A1097A1031-R1093 HydrophobicContact CB-CG 3.73Å; D1032-R1093 IonicContact OD1-CZ 3.99Å; D1032-R1093 VanDerWaalsContact OD1-CZ 3.24Å; D1032-R1093 IonicContact OD1-NE 2.76Å; D1032-R1093 PolarHBondContact OD1-NE 2.75Å; D1032-R1093 IonicContact OD1-NH2 2.92Å; D1032-R1093 PolarHBondContact OD1-NH2 3.34Å; E1035-R1093 IonicContact OE1-CZ 2.8Å; E1035-R1093 IonicContact OE1-NH1 3.78Å; E1035-R1093 PolarHBondContact OE1-NH1 3.41Å; E1035-R1093 IonicContact OE1-NH2 2.76Å; E1035-R1093 IonicContact OE2-CZ 3.34Å; E1035-R1093 IonicContact OE2-NH1 3.63Å; E1035-R1093 PolarHBondContact OE2-NH1 2.94Å; E1035-R1093 IonicContact OE2-NH2 3Å; E1035-R1093 PolarHBondContact OE2-NH2 2.94Å; P1089-R1093 PolarHBondContact O-N 3.1Å; R1093-A1097 WeakPolarHBondContact O-CB 3.49Å; R1093-A1097 PolarHBondContact O-N 3.25Å
1094R79.9Confident71Confident181 Ų18181.3 Ų81.368%0.68342%0.421SS*.Hα-helixtrans-68.8-42.1174-173.5-174.9-58.4179.62.2112.3T1090 Q1091 L1092 A1097 A1098T1090-R1094 WeakPolarHBondContact O-CB 3.42Å; T1090-R1094 PolarHBondContact O-N 2.9Å; Q1091-R1094 PolarHBondContact O-N 3.34Å; L1092-R1094 VanDerWaalsContact C-N 3.29Å; L1092-R1094 PolarHBondContact O-N 3.42Å; R1094-A1097 PolarHBondContact O-N 3.34Å; R1094-A1098 PolarHBondContact O-N 3.02Å
1095V79.9Confident68.5Low43 Ų4389 Ų8926%0.26145%0.454SS..Hα-helixtrans-65.5-44.8175.3170.80000110.5L1027 L1068 Q1091 L1092 A1097 A1098 L1099L1027-V1095 HydrophobicContact CD1-CG1 4Å; L1068-V1095 HydrophobicContact CB-CG1 4.26Å; L1068-V1095 HydrophobicContact CD1-CG1 3.85Å; L1068-V1095 HydrophobicContact CD2-CG1 3.75Å; L1068-V1095 HydrophobicContact CG-CG1 4.14Å; Q1091-V1095 WeakPolarHBondContact O-CG2 3.22Å; Q1091-V1095 PolarHBondContact O-N 3.45Å; L1092-V1095 PolarHBondContact O-N 3.38Å; V1095-A1097 VanDerWaalsContact C-N 3.26Å; V1095-A1097 PolarHBondContact O-N 3.23Å; V1095-A1098 PolarHBondContact O-N 3.48Å; V1095-A1098 VanDerWaalsContact O-N 3.09Å; V1095-L1099 PolarHBondContact O-N 3.12Å; V1095-L1099 VanDerWaalsContact O-N 3.17Å
1096A80.5Confident66.1Low2 Ų294.8 Ų94.82%0.01747%0.473CS..Hα-helixtrans-58.8-34.2175.200000113.2Q1024 L1027 I1028 L1092Q1024-A1096 HydrophobicContact CG-CB 4.14Å; Q1024-A1096 PolarHBondContact NE2-O 3.2Å; L1027-A1096 HydrophobicContact CB-CB 4.13Å; I1028-A1096 HydrophobicContact CD1-CB 4.25Å; I1028-A1096 HydrophobicContact CG1-CB 3.68Å; L1092-A1096 WeakPolarHBondContact O-CB 3.47Å; L1092-A1096 PolarHBondContact O-N 2.92Å
1097A76.3Confident63.7Low56 Ų5693.9 Ų93.946%0.46347%0.47SS..Hα-helixtrans-75.3-34.9173.300000113.1R1093 R1094 V1095 L1099 N1100R1093-A1097 WeakPolarHBondContact O-CB 3.49Å; R1093-A1097 PolarHBondContact O-N 3.25Å; R1094-A1097 PolarHBondContact O-N 3.34Å; V1095-A1097 VanDerWaalsContact C-N 3.26Å; V1095-A1097 PolarHBondContact O-N 3.23Å; A1097-L1099 VanDerWaalsContact C-N 3.25Å; A1097-L1099 PolarHBondContact O-N 3.2Å; A1097-N1100 PolarHBondContact O-N 2.78Å
1098A72.6Confident61.2Low33 Ų3399.9 Ų99.927%0.27350%0.501SS..Hα-helixtrans-67.9-23177.400000113.3R1094 V1095 N1100R1094-A1098 PolarHBondContact O-N 3.02Å; V1095-A1098 PolarHBondContact O-N 3.48Å; V1095-A1098 VanDerWaalsContact O-N 3.09Å; A1098-N1100 PolarHBondContact O-N 3.48Å
1099L71.2Confident58.3Low31 Ų31106.6 Ų106.616%0.16253%0.528CS..THydrogen-bonded Turntrans-70.7-8.4170.2-67.8173.7000113.7L1020 L1023 Q1024 L1027 L1064 L1068 V1095 A1097L1020-L1099 HydrophobicContact CD2-CD2 4.41Å; L1023-L1099 HydrophobicContact CD2-CD1 4.49Å; L1023-L1099 HydrophobicContact CG-CD1 4.49Å; Q1024-L1099 HydrophobicContact CB-CD1 4.49Å; L1027-L1099 HydrophobicContact CD1-CD1 4.08Å; L1064-L1099 HydrophobicContact CD2-CD2 4.23Å; L1068-L1099 HydrophobicContact CD1-CD1 4.29Å; L1068-L1099 HydrophobicContact CD1-CD2 4.3Å; V1095-L1099 PolarHBondContact O-N 3.12Å; V1095-L1099 VanDerWaalsContact O-N 3.17Å; A1097-L1099 VanDerWaalsContact C-N 3.25Å; A1097-L1099 PolarHBondContact O-N 3.2Å
1100N59.8Low56.4Low88 Ų88110.5 Ų110.547%0.47155%0.553SS.*THydrogen-bonded Turntrans-131.630.7-160.7-137.830000114.5Q1024 A1097 A1098 P1102Q1024-N1100 VanDerWaalsContact NE2-CB 3.3Å; Q1024-N1100 PolarHBondContact NE2-ND2 3.46Å; A1097-N1100 PolarHBondContact O-N 2.78Å; A1098-N1100 PolarHBondContact O-N 3.48Å; N1100-P1102 WeakPolarHBondContact O-CD 3.43Å
1101Q53.5Low53.6Low123 Ų123114 Ų11458%0.57556%0.563SS**  trans-102.796172.3-73.8-172.963.100111.6
1102P44.6Very low51Low105 Ų105115.9 Ų115.968%0.68258%0.576SS**  trans-69.5151.3139.134.1-31.5000109.2N1100 E1104N1100-P1102 WeakPolarHBondContact O-CD 3.43Å; P1102-E1104 PolarHBondContact O-N 3.27Å
1103E28.6Very low48.3Very low195 Ų195123.2 Ų123.291%0.91161%0.61SS**  trans-76.3104.8175.8-66.7-173.413000111.3
1104E29.8Very low46Very low190 Ų190123.7 Ų123.789%0.88863%0.625SS**  trans-129.5142.8155.1-74.3-158151.100110.8P1102P1102-E1104 PolarHBondContact O-N 3.27Å
1105E29.3Very low43.3Very low194 Ų194123.2 Ų123.291%0.90763%0.63SS**  trans-84.6135.8-160.9-62.4-172.4118.700115.2
1106Q27.4Very low41Very low165 Ų165127.2 Ų127.277%0.77166%0.655SS**  trans3.7118.7154.4-54.5176.112.400118.8
1107K27.7Very low39.1Very low179 Ų179132.4 Ų132.478%0.77869%0.688SS**  -179125.9113.7-94.1144.6-158.5142.30116.4
1108L27.7Very low36.7Very low168 Ų168133 Ų13388%0.8870%0.7SS**  trans73.8149.5139.5-60.4168.7000121.6
1109Q21.3Very low34.6Very low183 Ų183141.1 Ų141.186%0.85573%0.732SS**  trans-96-176.3-174.8-71.7177.4-16.200112.4
1110P42.8Very low32.4Very low108 Ų108149.1 Ų149.170%0.70177%0.769SS**  cis-140.6-163.4-22.927.6-1.8000115.5
1111E22.8Very low30.7Very low162 Ų162148.8 Ų148.876%0.75779%0.786SS**  trans9884.6148.3-71.1-174.1171.300124.7
1112L26.8Very low29.2Very low132 Ų132147.9 Ų147.969%0.69179%0.793SS**  51.3123.3120.9-68.6166.5000127.1L1140L1112-L1140 VanDerWaalsContact O-CD1 3.23Å; L1112-L1140 WeakPolarHBondContact O-CD1 3.3Å
1113Q26.1Very low28.2Very low156 Ų156150.3 Ų150.373%0.72980%0.801SS**  trans75-179.1146.3-69.7179.5-60.800118L1140Q1113-L1140 VanDerWaalsContact O-CD1 3.32Å; Q1113-L1140 WeakPolarHBondContact O-CD1 3.31Å; Q1113-L1140 VanDerWaalsContact O-CD2 3.32Å; Q1113-L1140 WeakPolarHBondContact O-CD2 3.48Å; Q1113-L1140 WeakPolarHBondContact O-CG 3.36Å
1114P36.7Very low28.1Very low104 Ų104149.9 Ų149.968%0.67580%0.799SS**  cis-129.6-136.5244.1-22.6000115.6L1140P1114-L1140 HydrophobicContact CG-CD2 4.11Å
1115E24.1Very low27.8Very low170 Ų170149 Ų14979%0.79480%0.795SS**  trans-143158.2-158.2-54.9177.4112.900117.1
1116V32.3Very low27.5Very low128 Ų128146.6 Ų146.678%0.77678%0.783SS**  trans63.1164.4139162.90000119.4
1117P39.8Very low27.5Very low110 Ų110144 Ų14471%0.71478%0.782SS**  cis-121.7-154.6-8.742.1-25.4000114.6
1118G26.8Very low27.2Very low68 Ų68144.7 Ų144.770%0.70179%0.785SS**  136.992.612200000123.8
1119E28.3Very low27.1Very low204 Ų204143.9 Ų143.995%0.95378%0.776SS**  trans65.1174.7143.7-77.5172.7-158.200124.3
1120E24.5Very low27.3Very low199 Ų199143.5 Ų143.593%0.9377%0.774SS**  trans-123.6167.1-146.3-52.8173.6150.600115
1121G23.3Very low26.5Very low81 Ų81149.3 Ų149.384%0.83578%0.782SS**  trans163.9140.8167.800000115.4
1122S23Very low27.3Very low105 Ų105147 Ų14773%0.73478%0.781SS**  trans-87.8156.6-174.760.10000115
1123D24.1Very low27.3Very low156 Ų156149.6 Ų149.683%0.83479%0.79SS**  -178.8174.4113.4-87.54.4000110.9
1124E25.4Very low27.2Very low186 Ų186146.5 Ų146.587%0.86979%0.791SS**  trans-87152-152.7-59.4174.8141.500117.1
1125E23.8Very low26.7Very low171 Ų171148.9 Ų148.980%0.79980%0.797SS**  trans32.1139.6148.2-63.3-170.7-179.900122
1126H22.7Very low26.7Very low144 Ų144152.1 Ų152.167%0.66780%0.803SS**  cis-157.1159.910.4-140.3-68.9000111.2
1127C26.9Very low26.4Very low111 Ų111150.8 Ų150.875%0.7581%0.805SS**  trans59.777.8160.7-70.30000119.9
1128K23.2Very low25.7Very low193 Ų193151.9 Ų151.984%0.83980%0.804SS**  trans-153.8174.6167.2-73.6-173.3-168.4165.20110.9
1129E25.1Very low25.7Very low150 Ų150155.5 Ų155.570%0.70181%0.806SS**  -176.4140.1-53.9-120.9-172.9166.400107.9
1130H25.3Very low25.7Very low175 Ų175149.6 Ų149.681%0.8178%0.781SS**  trans62.2146.8155.6-59.3-44.3000125
1131R24.7Very low25.7Very low230 Ų230145.8 Ų145.887%0.86877%0.771SS**  trans-21.4166.7136.2-83.2177.1172.8169.9-3117.2
1132P39.7Very low25.9Very low114 Ų114150.8 Ų150.874%0.7477%0.773SS**  cis-138.1-165.411.736.6-14.8000115.4
1133Q27.6Very low26.1Very low186 Ų186154.9 Ų154.987%0.86978%0.777SS**  trans-59.6142.1161.6-54.5143.8-56.900112.2
1134A23.5Very low26.1Very low92 Ų92156.9 Ų156.976%0.7678%0.778SS**  trans169.1169.4136.300000112.6
1135L25.8Very low26.1Very low153 Ų153157.9 Ų157.980%0.80178%0.78SS**  trans64.848159.6-57.7179.5000120
1136R24.2Very low26Very low239 Ų239153.1 Ų153.190%0.90278%0.777SS**  trans-121.411147.2-96.1-172.8177.1176.2-0.7115.1L1138R1136-L1138 PolarHBondContact O-N 3.38Å
1137A26.2Very low26Very low99 Ų99154.8 Ų154.882%0.81879%0.79SS**  trans-96.565171.900000111.6
1138L25.2Very low25.7Very low134 Ų134154.4 Ų154.470%0.70280%0.795SS**  trans-144.2117.2169.8-91.1174.7000111.9R1136R1136-L1138 PolarHBondContact O-N 3.38Å
1139L27.2Very low25.7Very low143 Ų143150.5 Ų150.575%0.74979%0.791SS**  trans68.392.4150.3-55.4173.1000119.4
1140L27.9Very low26.3Very low81 Ų81147.5 Ų147.542%0.42479%0.785SS.*  -49.1142.7121.1-74.1157.4000110.4L1112 Q1113 P1114L1112-L1140 VanDerWaalsContact O-CD1 3.23Å; L1112-L1140 WeakPolarHBondContact O-CD1 3.3Å; Q1113-L1140 VanDerWaalsContact O-CD1 3.32Å; Q1113-L1140 WeakPolarHBondContact O-CD1 3.31Å; Q1113-L1140 VanDerWaalsContact O-CD2 3.32Å; Q1113-L1140 WeakPolarHBondContact O-CD2 3.48Å; Q1113-L1140 WeakPolarHBondContact O-CG 3.36Å; P1114-L1140 HydrophobicContact CG-CD2 4.11Å
1141T25.8Very low26.3Very low118 Ų118146.8 Ų146.872%0.72478%0.782SS**  -176.9164.8128210000113.5
1142H27.4Very low26.3Very low187 Ų187143.8 Ų143.887%0.86678%0.778SS**  trans75.7104.1165.5-78.7-71.5000121.1
1143K26.2Very low25.6Very low191 Ų191146.4 Ų146.483%0.8378%0.781SS**  trans-92.8152.9165.4-121.7168.4-175.3162.70110.8
1144K24.2Very low25.4Very low197 Ų197144.1 Ų144.186%0.85777%0.774SS**  trans70.8128.8170.5-52.3172.6176.8176.80115.2
1145K24.7Very low25.5Very low207 Ų207145 Ų14590%0.977%0.77SS**  -169.1154.468.2-88.9179173.8176.10113.2
1146G21.8Very low25.5Very low72 Ų72144.5 Ų144.574%0.74277%0.773SS**  7392.5119.600000121.2
1147L23.4Very low25.6Very low179 Ų179136.5 Ų136.594%0.93777%0.765SS**  27.8108.9118.8-168.584.1000118.6
1148A21.5Very low25.6Very low103 Ų103140.5 Ų140.585%0.85176%0.764SS**  trans-156.7127.4147.300000111.5
1149S21.5Very low25.6Very low110 Ų110139.8 Ų139.877%0.76976%0.757SS**  trans-100.9-173.8157.260.10000107.6
1150P39.1Very low25.5Very low88 Ų88140.3 Ų140.357%0.57176%0.755SS**  cis-138-165.45.645-27.3000114.9
1151E23.9Very low25.4Very low159 Ų159142.7 Ų142.774%0.74377%0.768SS**  trans64.1135.2153.4-69.7146.9-132.600118.4
1152E25.2Very low25.3Very low168 Ų168147.2 Ų147.279%0.78578%0.777SS**  cis-158.5-166-28.7-134.966.9-65.900104.5
1153E24.8Very low25.1Very low169 Ų169144.9 Ų144.979%0.7978%0.777SS**  cis-153.4164.312.7-154.1177.7-136.600108.9
1154D24.8Very low25Very low138 Ų138140.2 Ų140.274%0.73877%0.774SS**  trans12.5149.3155.2-8312.9000123.8
1155T24.9Very low25.3Very low110 Ų110137.1 Ų137.168%0.67577%0.774SS**  cis-155.7153.422.57.70000113.4
1156V26.5Very low25.4Very low143 Ų143136.2 Ų136.287%0.86777%0.77SS**  trans47.2123.9148.9-175.50000119.5
1157G25.6Very low25.7Very low70 Ų70142.8 Ų142.872%0.72278%0.778SS**  cis-179.1-1546.500000116.7
1158K26.4Very low25.9Very low183 Ų183145.1 Ų145.180%0.79677%0.774SS**  trans-60.1160.5-169.2-71.6171.4159.4-128.30115.5
1159E25Very low26.1Very low119 Ų119149.7 Ų149.756%0.55678%0.778SS**  cis-162.3150.54.6-123.1167.3-135.400111
1160Q25.6Very low26.5Very low154 Ų154152.4 Ų152.472%0.7278%0.783SS**  trans60.1161.1153.8-61.5177.657.600117.9
1161L25.3Very low25.9Very low132 Ų132156.1 Ų156.169%0.69180%0.797SS**  cis-153.6136-23.4-117.1168.3000106.8
1162K24Very low26Very low212 Ų212155.7 Ų155.792%0.92280%0.8SS**  trans-136.2116.3162.3-86.6-167.3175-178.80111.3
1163T22.7Very low26Very low138 Ų138153.6 Ų153.685%0.84780%0.804SS**  trans-88143.3170.640.70000110.3
1164A24.4Very low26.3Very low94 Ų94153.3 Ų153.378%0.77781%0.808SS**  trans-140146.8166.800000108.9
1165P29.7Very low26.3Very low131 Ų131156.2 Ų156.285%0.85182%0.817SS**  trans-86.1149.6-15532.4-36.7000114.4
1166K26.6Very low26.7Very low189 Ų189160 Ų16082%0.82283%0.827SS**  trans-104.6112.7165.8-75.3-179.7177.6172.70110.5
1167K28Very low26.6Very low209 Ų209162.7 Ų162.791%0.90983%0.83SS**  trans-58.9139.2153.9-70.4178.4177.7175.60108.1
1168R29.1Very low26.9Very low228 Ų228168.8 Ų168.886%0.8684%0.84SS**  trans-135.4128.7165.5-90.7-172.9162.6179.3-6.9109.8
1169Q25.9Very low26.8Very low200 Ų200167.8 Ų167.894%0.93584%0.843SS**  trans-84.5166.1165.1-76.4174.1-43.500110.3
1170L28.2Very low26.9Very low167 Ų167171.2 Ų171.287%0.87486%0.859SS**  trans-59.4149.5174.6-60.6139.1000112
1171L27.8Very low27Very low166 Ų166167.3 Ų167.387%0.86986%0.86SS**  -170.8161.6112.8-100.7167.4000111.5
1172D25.6Very low27Very low149 Ų149171.8 Ų171.880%0.79787%0.868SS**  trans-68.8151.3-179.5-56.7-62.5000113.1
1173S24.8Very low27.1Very low124 Ų124167.5 Ų167.587%0.86786%0.855SS**  trans-167.4120.5136.3-76.10000109.9
1174D31.2Very low27.2Very low164 Ų164171.9 Ų171.988%0.87786%0.856SS**  trans-80.5145.8161.7-62.3-52.9000109.3
1175E25.4Very low27.2Very low199 Ų199171.5 Ų171.593%0.9385%0.853SS**  -166.6146.6126.9-110.7171.8-157.300110.7
1176E33.7Very low27.5Very low190 Ų190171.4 Ų171.489%0.88885%0.852SS**  trans-97147.9-177.9-61.7175.2131.500110.8
1177Q24.8Very low27.5Very low199 Ų199171 Ų17193%0.9385%0.853SS**  trans-133.6128158-82.3-170.6-21.400110.6
1178E30.1Very low27.5Very low197 Ų197169.3 Ų169.392%0.92185%0.853SS**  trans-77.3150.8169.7-55.2175.2120.600110
1179D26.1Very low27.3Very low163 Ų163163 Ų16387%0.87285%0.85SS**  trans-150.3158.4152.5-146.6-21000111.3
1180E26.5Very low27.6Very low191 Ų191157.9 Ų157.989%0.89384%0.842SS**  trans-82.1155.5-164.4-60.9-166.7138.600114.8
1181G26.6Very low27.9Very low71 Ų71156.2 Ų156.273%0.73284%0.841SS**  trans-120.7168176.900000114.1
1182R26.1Very low27.8Very low227 Ų227159.3 Ų159.386%0.85784%0.841SS**  trans-167.6140.4171.2-120.4173.2179178.53.9116
1183N25.9Very low27.9Very low121 Ų121158.4 Ų158.465%0.64784%0.835SS**  trans64.6151.2153.2-61.5-38.7000117.7
1184R25.2Very low28Very low230 Ų230159.9 Ų159.987%0.86883%0.828SS**  cis-156.3165.4-10.1-118.2173.8-174.8-170.4-0.7108.8
1185A25.2Very low27.7Very low86 Ų86160.9 Ų160.971%0.71183%0.825SS**  trans-68.7168176.900000113.4
1186P34.3Very low28.1Very low129 Ų129160.9 Ų160.984%0.83882%0.822SS**  -135.3157.791.539.1-29.7000115.7
1187E27.8Very low27.8Very low180 Ų180162.2 Ų162.284%0.84182%0.824SS**  trans-89.8154166.6-55.3174.2118.200111.1
1188L27.9Very low27.9Very low174 Ų174162.4 Ų162.491%0.91182%0.817SS**  trans-145.5112.9152.1-93.5-177.7000112.5
1189A25.1Very low27.7Very low95 Ų95161.8 Ų161.879%0.78581%0.811SS**  trans30125.8153.400000121.7
1190A30.9Very low27.8Very low94 Ų94160.1 Ų160.178%0.77780%0.798SS**  trans-73.7172.5159.400000112.6
1191P34.5Very low28.2Very low132 Ų132156.4 Ų156.486%0.85778%0.784SS**  -136.9173113.839.2-30.5000114.7
1192R27.2Very low28.4Very low230 Ų230160.2 Ų160.287%0.86878%0.782SS**  trans-134.1156.5179.6-142.2-175.7-172.1-174.53.5108.6
1193I27.2Very low29.1Very low130 Ų130156.5 Ų156.567%0.66778%0.779SS**  trans88.6120.8154.7-60.6162.6000119.7
1194Q26.3Very low29.6Very low156 Ų156158 Ų15873%0.72979%0.787SS**  trans71.8145.1156.1-75.3169.744.900119.5
1195K25.4Very low30.3Very low185 Ų185155.6 Ų155.680%0.80479%0.786SS**  cis-154.7165.735.1-130.4143.6-170.9169.10115.1
1196K33.2Very low31.1Very low198 Ų198159.4 Ų159.486%0.86179%0.794SS**  trans-66.4159.2-173.5-53172.1176-178.50116.7
1197K27.8Very low31.2Very low218 Ų218164.7 Ų164.795%0.94882%0.816SS**  -157.8162.9122.9-110.6175.3-177.2-175.50113
1198R27.3Very low31.4Very low204 Ų204164 Ų16477%0.7781%0.814SS**  trans-105.9154.6-176.9-91.1-179.1166.4178.7-7.2111.3
1199F24.9Very low31.6Very low184 Ų184163.4 Ų163.481%0.80781%0.809SS**  -157.2139.4103.7-81.5-77.3000105.5
1200Q29.3Very low31.9Very low127 Ų127167.2 Ų167.259%0.59381%0.811SS**  5913467.2-78.3-175.2-68.700112
1201I34.4Very low32Very low114 Ų114171.5 Ų171.559%0.58581%0.813SS**  cis-163.3167.312.8-133.1165.4000109.1
1202E31.8Very low31.8Very low150 Ų150174 Ų17470%0.70181%0.81SS**  cis-135.3-148.47.8-146.792.5-129.400109.7
1203D40.2Very low32.2Very low149 Ų149170.3 Ų170.380%0.79781%0.806SS**  trans-130.5-158.5-175.1-65.6-72.1000113.6
1204D36.1Very low32.5Very low152 Ų152173.1 Ų173.181%0.81382%0.816SS**  trans108.8126.2169.2-58.6-8.8000116.1
1205E40.1Very low33Very low180 Ų180174.5 Ų174.584%0.84182%0.823SS**  cis-144.5159.9-6.6-109.5-17615800112
1206D42.3Very low33.6Very low166 Ų166173.6 Ų173.689%0.88882%0.824SS**  trans-52.6166.2-169.7-64.3-32.8000121.4
1207D36.2Very low33.7Very low241 Ų241171.4 Ų171.4100%1.28982%0.821SS**  trans-137.60169.5-132.3-5.3000109.2

Retrieved 1,207 of 1,207 residues in 2017.7 ms (Link to these results)

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