A0A087XTC0_POEFO Loading...

T-complex protein 1 subunit gamma

AlphaFold DB , UniProt , Accession A0A087XTC0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 540 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
1M38.4Very low47.3Very low244 Ų244149.6 Ų149.6100%1.20280%0.797SS**  01020-70.9-179.4-17200107.5
2I38.4Very low48.4Very low175 Ų175146.7 Ų146.790%0.89778%0.782SS**  trans-81.6115.8175.4-66.5169000105.7Q4I2-Q4 PolarHBondContact O-N 2.77Å
3G44.9Very low49.7Very low67 Ų67139.6 Ų139.669%0.69174%0.743SS**  trans-59.7110.2179.900000110.1Q5G3-Q5 PolarHBondContact O-N 2.77Å; G3-Q5 VanDerWaalsContact O-N 3.17Å
4Q47.5Very low51.4Low185 Ų185141.7 Ų141.786%0.86474%0.743SS**  trans-66112.2171.5-141.5170.3-0.500106.8I2 V6I2-Q4 PolarHBondContact O-N 2.77Å; Q4-V6 PolarHBondContact O-N 2.8Å
5Q42.7Very low53.2Low184 Ų184141.4 Ų141.486%0.8673%0.728SS**  trans-64.3102.2172.5-79.2-179.2-15.400108.1G3 L7G3-Q5 PolarHBondContact O-N 2.77Å; G3-Q5 VanDerWaalsContact O-N 3.17Å; Q5-L7 PolarHBondContact O-N 2.91Å; Q5-L7 VanDerWaalsContact O-N 3.13Å
6V47.6Very low55Low122 Ų122140.1 Ų140.174%0.73972%0.717SS**  trans-72.4103.4171.6-178.90000107.2Q4 V8Q4-V6 PolarHBondContact O-N 2.8Å; V6-V8 HydrophobicContact CG1-CG2 4.26Å; V6-V8 PolarHBondContact O-N 3.48Å
7L48Very low56.8Low139 Ų139135.2 Ų135.273%0.72870%0.698SS**  trans-72.796.6173.2-134.4128.8000107.6Q5 L9Q5-L7 PolarHBondContact O-N 2.91Å; Q5-L7 VanDerWaalsContact O-N 3.13Å; L7-L9 VanDerWaalsContact C-N 3.29Å; L7-L9 HydrophobicContact CD2-CD2 4.25Å; L7-L9 HydrophobicContact CD2-CG 4.1Å; L7-L9 PolarHBondContact O-N 2.73Å
8V47.3Very low58.3Low134 Ų134129.4 Ų129.481%0.81268%0.678SS**  trans-7386.9175.8-176.20000108.1V6V6-V8 HydrophobicContact CG1-CG2 4.26Å; V6-V8 PolarHBondContact O-N 3.48Å
9L52.3Low59.6Low77 Ų77127.9 Ų127.940%0.40366%0.662SS.*  trans-71.3130.8167-75.5162.1000108.5L7 Q11 I13L7-L9 VanDerWaalsContact C-N 3.29Å; L7-L9 HydrophobicContact CD2-CD2 4.25Å; L7-L9 HydrophobicContact CD2-CG 4.1Å; L7-L9 PolarHBondContact O-N 2.73Å; L9-Q11 PolarHBondContact O-N 3.35Å; L9-I13 HydrophobicContact CB-CD1 4.48Å; L9-I13 HydrophobicContact CD2-CD1 3.87Å
10N55.7Low60.9Low123 Ų123130.6 Ų130.666%0.65867%0.668SS**  trans-50.6131.1171.8-115.7-21.9000109.4N12 I13N10-N12 PolarHBondContact O-N 3.4Å; N10-I13 HydrophobicContact CB-CD1 3.89Å; N10-I13 HydrophobicContact CB-CG1 4.13Å; N10-I13 WeakPolarHBondContact O-CG1 3.27Å; N10-I13 PolarHBondContact O-N 2.97Å
11Q57.9Low62.3Low196 Ų196124.4 Ų124.492%0.91664%0.637SS**THydrogen-bonded Turntrans-57.5-10.6-174.1-71.4-179.9-9.600114.9L9L9-Q11 PolarHBondContact O-N 3.35Å
12N59.5Low64.6Low114 Ų114113.5 Ų113.561%0.6158%0.583SS**THydrogen-bonded Turntrans-96.54.4-179.1-60.8-30.6000114.1N10N10-N12 PolarHBondContact O-N 3.4Å
13I66.5Low67.1Low55 Ų55107.5 Ų107.528%0.28255%0.554SS.*EExtended strand (participates in β ladder)trans-89113.5-179.8-63.6173.3000109.2L9 N10 V522L9-I13 HydrophobicContact CB-CD1 4.48Å; L9-I13 HydrophobicContact CD2-CD1 3.87Å; N10-I13 HydrophobicContact CB-CD1 3.89Å; N10-I13 HydrophobicContact CB-CG1 4.13Å; N10-I13 WeakPolarHBondContact O-CG1 3.27Å; N10-I13 PolarHBondContact O-N 2.97Å; I13-V522 HydrophobicContact CG2-CG1 3.38Å
14K72.4Confident69.3Low169 Ų169105.5 Ų105.574%0.73553%0.534SS*.EExtended strand (participates in β ladder)trans-83.3118.3165.7-71.6-174-179.7-177.40108.1S523K14-S523 PolarHBondContact N-O 3.34Å; K14-S523 PolarHBondContact O-N 2.82Å
15R79.3Confident71.5Confident137 Ų13796.8 Ų96.852%0.51749%0.493SS..EExtended strand (participates in β ladder)trans-110.2121.7174.4-175.7178.8-179.4-175.4-2.6108.8S17 D520 I521 V522R15-S17 WeakPolarHBondContact CG-OG 3.43Å; R15-S17 PolarHBondContact NE-OG 3.08Å; R15-S17 VanDerWaalsContact NE-OG 3.1Å; R15-D520 IonicContact CZ-OD2 3.3Å; R15-D520 VanDerWaalsContact CZ-OD2 3.3Å; R15-D520 IonicContact NE-OD1 3.83Å; R15-D520 IonicContact NE-OD2 3.2Å; R15-D520 PolarHBondContact NE-OD2 2.54Å; R15-D520 IonicContact NH2-OD2 2.63Å; R15-D520 PolarHBondContact NH2-OD2 3.1Å; R15-I521 WeakPolarHBondContact CA-O 3.48Å; R15-V522 HydrophobicContact CG-CG2 4.37Å
16E82.1Confident73.9Confident120 Ų12088.1 Ų88.156%0.56145%0.453SS*.EExtended strand (participates in β ladder)trans-100.5136.8163.1-66.3-178.6-17900107.2V21 D520 I521E16-V21 HydrophobicContact CB-CG2 3.56Å; E16-V21 VanDerWaalsContact O-CG2 3.25Å; E16-V21 WeakPolarHBondContact O-CG2 3.04Å; E16-D520 WeakPolarHBondContact O-CA 3.46Å; E16-I521 PolarHBondContact N-O 3.02Å; E16-I521 PolarHBondContact O-N 3.03Å
17S84.6Confident76.2Confident57 Ų5785.7 Ų85.740%0.39944%0.436SS..EExtended strand (participates in β ladder)trans-135.9150.6-171.5-73.80000114.4R15 D519 D520R15-S17 WeakPolarHBondContact CG-OG 3.43Å; R15-S17 PolarHBondContact NE-OG 3.08Å; R15-S17 VanDerWaalsContact NE-OG 3.1Å; S17-D519 CarbonylContact C-O 3.6Å; S17-D520 WeakPolarHBondContact CA-OD1 3.47Å; S17-D520 WeakPolarHBondContact CB-OD1 3.43Å; S17-D520 PolarHBondContact OG-OD1 2.63Å
18G85.1Confident78.3Confident32 Ų3279.8 Ų79.833%0.3341%0.407SS..THydrogen-bonded Turntrans70.8-142172.300000113K20 V21 Q22 D519G18-K20 VanDerWaalsContact C-N 3.27Å; G18-K20 PolarHBondContact O-N 3.4Å; G18-V21 WeakPolarHBondContact O-CB 3.22Å; G18-V21 PolarHBondContact O-N 3.33Å; G18-V21 VanDerWaalsContact O-N 3.11Å; G18-Q22 PolarHBondContact O-N 2.8Å; G18-D519 PolarHBondContact N-O 3.2Å
19R81.8Confident80.6Confident101 Ų10173.4 Ų73.438%0.38137%0.368SS..Hα-helixtrans-64.4-28.9-170-67.7-170.6178.6177.210.6114.9V21 Q22 T23 L112 Q115R19-V21 PolarHBondContact O-N 2.94Å; R19-Q22 PolarHBondContact O-N 3.22Å; R19-Q22 VanDerWaalsContact O-N 3.12Å; R19-T23 PolarHBondContact O-N 3.24Å; R19-T23 PolarHBondContact O-OG1 2.89Å; R19-L112 PolarHBondContact NH1-O 2.83Å; R19-Q115 VanDerWaalsContact NH1-OE1 3.07Å; R19-Q115 VanDerWaalsContact NH2-CD 3.33Å
20K86.1Confident82.6Confident180 Ų18073.4 Ų73.478%0.78337%0.365SS*.Hα-helixtrans-60.1-37.5177.1-67.6-176.2179-179.10111.2G18 G24G18-K20 VanDerWaalsContact C-N 3.27Å; G18-K20 PolarHBondContact O-N 3.4Å; K20-G24 PolarHBondContact O-N 3.36Å
21V89.4Confident84.3Confident1 Ų171.6 Ų71.61%0.00636%0.358CS..Hα-helixtrans-67.9-45174169.70000110.8E16 G18 R19 T23 G24 N25 I518 D519 I521E16-V21 HydrophobicContact CB-CG2 3.56Å; E16-V21 VanDerWaalsContact O-CG2 3.25Å; E16-V21 WeakPolarHBondContact O-CG2 3.04Å; G18-V21 WeakPolarHBondContact O-CB 3.22Å; G18-V21 PolarHBondContact O-N 3.33Å; G18-V21 VanDerWaalsContact O-N 3.11Å; R19-V21 PolarHBondContact O-N 2.94Å; V21-T23 PolarHBondContact O-N 3.3Å; V21-G24 CarbonylContact O-C 3.56Å; V21-G24 WeakPolarHBondContact O-CA 3.48Å; V21-G24 PolarHBondContact O-N 2.84Å; V21-N25 WeakPolarHBondContact O-CB 3.12Å; V21-N25 PolarHBondContact O-N 3.15Å; V21-N25 PolarHBondContact O-ND2 2.87Å; V21-N25 PolarHBondContact O-OD1 3.2Å; V21-I518 HydrophobicContact CG1-CG2 4.16Å; V21-D519 WeakPolarHBondContact CB-O 2.99Å; V21-I521 HydrophobicContact CG1-CD1 3.77Å; V21-I521 HydrophobicContact CG1-CG1 3.66Å; V21-I521 HydrophobicContact CG2-CG1 4.4Å
22Q88.1Confident86Confident15 Ų1562.7 Ų62.77%0.0732%0.317CS..Hα-helixtrans-61.1-47.2179.2-68.8175.7-22.500112G18 R19 G24 N25 I26 L112 P118 I518G18-Q22 PolarHBondContact O-N 2.8Å; R19-Q22 PolarHBondContact O-N 3.22Å; R19-Q22 VanDerWaalsContact O-N 3.12Å; Q22-G24 VanDerWaalsContact C-N 3.33Å; Q22-G24 PolarHBondContact O-N 3.11Å; Q22-N25 WeakPolarHBondContact O-CB 3.43Å; Q22-N25 PolarHBondContact O-N 3.29Å; Q22-I26 VanDerWaalsContact O-CG1 3.29Å; Q22-I26 WeakPolarHBondContact O-CG1 3.45Å; Q22-I26 PolarHBondContact O-N 3.19Å; Q22-L112 HydrophobicContact CB-CD1 4.27Å; Q22-P118 VanDerWaalsContact NE2-CG 3.33Å; Q22-I518 WeakPolarHBondContact CG-O 3.48Å
23T90.4Very high87.7Confident49 Ų4957.3 Ų57.330%0.30129%0.288SS..Hα-helixtrans-64-38.3174.2-54.70000111.5R19 V21 I26 N27R19-T23 PolarHBondContact O-N 3.24Å; R19-T23 PolarHBondContact O-OG1 2.89Å; V21-T23 PolarHBondContact O-N 3.3Å; T23-I26 PolarHBondContact O-N 3.47Å; T23-N27 WeakPolarHBondContact O-CB 3.48Å; T23-N27 PolarHBondContact O-N 3.41Å; T23-N27 PolarHBondContact O-ND2 2.83Å
24G91.6Very high88.9Confident25 Ų2557.7 Ų57.726%0.25829%0.291SS..Hα-helixtrans-60.4-44.8173.100000112.9K20 V21 Q22 N27 A28K20-G24 PolarHBondContact O-N 3.36Å; V21-G24 CarbonylContact O-C 3.56Å; V21-G24 WeakPolarHBondContact O-CA 3.48Å; V21-G24 PolarHBondContact O-N 2.84Å; Q22-G24 VanDerWaalsContact C-N 3.33Å; Q22-G24 PolarHBondContact O-N 3.11Å; G24-N27 PolarHBondContact O-N 3.39Å; G24-A28 WeakPolarHBondContact O-CB 3.35Å; G24-A28 PolarHBondContact O-N 2.93Å
25N93.2Very high89.8Confident3 Ų352.4 Ų52.42%0.01627%0.273CS..Hα-helixtrans-60.8-47175.8-68-22.8000111.4V21 Q22 A28 A29 H73 A75V21-N25 WeakPolarHBondContact O-CB 3.12Å; V21-N25 PolarHBondContact O-N 3.15Å; V21-N25 PolarHBondContact O-ND2 2.87Å; V21-N25 PolarHBondContact O-OD1 3.2Å; Q22-N25 WeakPolarHBondContact O-CB 3.43Å; Q22-N25 PolarHBondContact O-N 3.29Å; N25-A28 PolarHBondContact O-N 2.94Å; N25-A29 WeakPolarHBondContact O-CB 3.38Å; N25-A29 PolarHBondContact O-N 2.88Å; N25-H73 PolarHBondContact OD1-CE1 2.99Å; N25-H73 VanDerWaalsContact OD1-CE1 3.22Å; N25-A75 HydrophobicContact CB-CB 4.01Å
26I93.9Very high90.4Very high2 Ų245.9 Ų45.91%0.0125%0.248CC..Hα-helixtrans-61.6-48.2178.3-67.5166000110.3Q22 T23 A28 A29 K30 L105 E109 L112 L516Q22-I26 VanDerWaalsContact O-CG1 3.29Å; Q22-I26 WeakPolarHBondContact O-CG1 3.45Å; Q22-I26 PolarHBondContact O-N 3.19Å; T23-I26 PolarHBondContact O-N 3.47Å; I26-A28 VanDerWaalsContact C-N 3.34Å; I26-A28 PolarHBondContact O-N 2.88Å; I26-A29 PolarHBondContact O-N 2.92Å; I26-K30 VanDerWaalsContact O-CB 3.3Å; I26-K30 WeakPolarHBondContact O-CB 3.3Å; I26-K30 PolarHBondContact O-N 3.34Å; I26-L105 HydrophobicContact CG1-CB 4.18Å; I26-L105 HydrophobicContact CG1-CD2 4.22Å; I26-L105 HydrophobicContact CG2-CB 4.2Å; I26-L105 WeakPolarHBondContact CG2-O 3.41Å; I26-E109 HydrophobicContact CD1-CB 4.26Å; I26-L112 HydrophobicContact CD1-CD1 3.64Å; I26-L516 HydrophobicContact CD1-CD2 4.36Å
27N94.1Very high90.9Very high70 Ų7042.6 Ų42.637%0.37423%0.23SC..Hα-helixtrans-62.5-40.3179.1-78.8-36.9000112.5T23 G24 K30 T31T23-N27 WeakPolarHBondContact O-CB 3.48Å; T23-N27 PolarHBondContact O-N 3.41Å; T23-N27 PolarHBondContact O-ND2 2.83Å; G24-N27 PolarHBondContact O-N 3.39Å; N27-K30 PolarHBondContact O-N 3.01Å; N27-T31 WeakPolarHBondContact O-CB 3.42Å; N27-T31 PolarHBondContact O-N 3.3Å; N27-T31 PolarHBondContact O-OG1 2.83Å
28A93.9Very high91.2Very high15 Ų1542 Ų4212%0.12423%0.225CC..Hα-helixtrans-63.1-46.3175.900000111.6G24 N25 I26 T31 I32 H73 A75 A76G24-A28 WeakPolarHBondContact O-CB 3.35Å; G24-A28 PolarHBondContact O-N 2.93Å; N25-A28 PolarHBondContact O-N 2.94Å; I26-A28 VanDerWaalsContact C-N 3.34Å; I26-A28 PolarHBondContact O-N 2.88Å; A28-T31 PolarHBondContact O-N 3.2Å; A28-I32 WeakPolarHBondContact O-CG1 3.27Å; A28-I32 PolarHBondContact O-N 3.21Å; A28-H73 HydrophobicContact CB-CB 4.1Å; A28-H73 WeakPolarHBondContact CB-ND1 3.49Å; A28-A75 HydrophobicContact CB-CB 4.44Å; A28-A76 HydrophobicContact CB-CB 4.31Å
29A94.1Very high91.3Very high0 Ų040.9 Ų40.90%021%0.211CC..Hα-helixtrans-64.2-43.3177.500000112.1N25 I26 T31 I32 A33 M79 L105 L515N25-A29 WeakPolarHBondContact O-CB 3.38Å; N25-A29 PolarHBondContact O-N 2.88Å; I26-A29 PolarHBondContact O-N 2.92Å; A29-T31 PolarHBondContact O-N 3.41Å; A29-I32 PolarHBondContact O-N 3.17Å; A29-A33 PolarHBondContact O-N 2.89Å; A29-M79 HydrophobicContact CB-CE 4.23Å; A29-M79 HydrophobicContact CB-CG 3.99Å; A29-M79 HydrophobicContact CB-SD 3.96Å; A29-L105 HydrophobicContact CB-CD1 3.52Å; A29-L515 HydrophobicContact CB-CD1 4.13Å
30K94.1Very high91.7Very high78 Ų7837 Ų3734%0.33920%0.198SC..Hα-helixtrans-60.3-43.5175.8-177179178.3179.40111.9I26 N27 I32 A33 D34I26-K30 VanDerWaalsContact O-CB 3.3Å; I26-K30 WeakPolarHBondContact O-CB 3.3Å; I26-K30 PolarHBondContact O-N 3.34Å; N27-K30 PolarHBondContact O-N 3.01Å; K30-I32 VanDerWaalsContact C-N 3.32Å; K30-I32 PolarHBondContact O-N 2.98Å; K30-A33 PolarHBondContact O-N 2.85Å; K30-D34 WeakPolarHBondContact O-CB 3.37Å; K30-D34 PolarHBondContact O-N 3.47Å
31T93.3Very high91.7Very high84 Ų8429.2 Ų29.252%0.51517%0.17SC..Hα-helixtrans-60.2-43178-56.50000111.2N27 A28 A29 D34 V35N27-T31 WeakPolarHBondContact O-CB 3.42Å; N27-T31 PolarHBondContact O-N 3.3Å; N27-T31 PolarHBondContact O-OG1 2.83Å; A28-T31 PolarHBondContact O-N 3.2Å; A29-T31 PolarHBondContact O-N 3.41Å; T31-D34 PolarHBondContact O-N 3.48Å; T31-V35 WeakPolarHBondContact O-CG2 3.5Å; T31-V35 PolarHBondContact O-N 2.77Å; T31-V35 VanDerWaalsContact O-N 3.15Å
32I93.5Very high91.2Very high10 Ų1031.3 Ų31.35%0.05118%0.183CC..Hα-helixtrans-64.8-42.9176.2-65.8-64.7000111.5A28 A29 K30 D34 V35 L66 V71 A76 M79 I98A28-I32 WeakPolarHBondContact O-CG1 3.27Å; A28-I32 PolarHBondContact O-N 3.21Å; A29-I32 PolarHBondContact O-N 3.17Å; K30-I32 VanDerWaalsContact C-N 3.32Å; K30-I32 PolarHBondContact O-N 2.98Å; I32-D34 PolarHBondContact O-N 3.28Å; I32-V35 PolarHBondContact O-N 3.22Å; I32-L66 HydrophobicContact CG2-CD2 3.65Å; I32-V71 HydrophobicContact CD1-CG2 3.78Å; I32-A76 HydrophobicContact CD1-CB 4.11Å; I32-A76 HydrophobicContact CG1-CB 3.62Å; I32-M79 HydrophobicContact CG2-CB 4.38Å; I32-I98 HydrophobicContact CG2-CG2 4Å
33A93.8Very high91Very high0 Ų036.8 Ų36.80%020%0.203CC..Hα-helixtrans-61.8-41.9175.600000112.3A29 K30 V35 I36 R37 I98A29-A33 PolarHBondContact O-N 2.89Å; K30-A33 PolarHBondContact O-N 2.85Å; A33-V35 VanDerWaalsContact C-N 3.33Å; A33-V35 PolarHBondContact O-N 3.43Å; A33-I36 PolarHBondContact O-N 2.89Å; A33-R37 WeakPolarHBondContact O-CB 3.35Å; A33-R37 PolarHBondContact O-N 3.01Å; A33-I98 HydrophobicContact CB-CG2 4.35Å
34D91.9Very high90.6Very high63 Ų6335.4 Ų35.434%0.33720%0.196SC..Hα-helixtrans-62.9-37.5179-70.8-15.7000111.9K30 T31 I32 I36 R37K30-D34 WeakPolarHBondContact O-CB 3.37Å; K30-D34 PolarHBondContact O-N 3.47Å; T31-D34 PolarHBondContact O-N 3.48Å; I32-D34 PolarHBondContact O-N 3.28Å; D34-I36 VanDerWaalsContact C-N 3.33Å; D34-I36 PolarHBondContact O-N 3.11Å; D34-R37 PolarHBondContact O-N 3.5Å; D34-R37 IonicContact OD1-CZ 2.72Å; D34-R37 IonicContact OD1-NH1 2.69Å; D34-R37 PolarHBondContact OD1-NH1 2.92Å; D34-R37 IonicContact OD1-NH2 3.89Å; D34-R37 PolarHBondContact OD1-NH2 3Å
35V91.6Very high90.3Very high58 Ų5840.1 Ų40.135%0.35221%0.213SC..Hα-helixtrans-60.2-41.9179.3168.20000111.9T31 I32 A33 K47 I69T31-V35 WeakPolarHBondContact O-CG2 3.5Å; T31-V35 PolarHBondContact O-N 2.77Å; T31-V35 VanDerWaalsContact O-N 3.15Å; I32-V35 PolarHBondContact O-N 3.22Å; A33-V35 VanDerWaalsContact C-N 3.33Å; A33-V35 PolarHBondContact O-N 3.43Å; V35-K47 WeakPolarHBondContact O-CE 3.42Å; V35-K47 PolarHBondContact O-NZ 3.1Å; V35-I69 HydrophobicContact CG1-CD1 3.91Å
36I92.2Very high89.9Confident0 Ų046.2 Ų46.20%024%0.243CC..Hα-helixtrans-100.3-3.4-175.769.1171.9000113.8A33 D34 T38 C39 I65 L66 T95 I98A33-I36 PolarHBondContact O-N 2.89Å; D34-I36 VanDerWaalsContact C-N 3.33Å; D34-I36 PolarHBondContact O-N 3.11Å; I36-T38 PolarHBondContact O-N 3.41Å; I36-C39 WeakPolarHBondContact O-CA 3.43Å; I36-C39 WeakPolarHBondContact O-CB 3.33Å; I36-C39 PolarHBondContact O-N 3.29Å; I36-I65 HydrophobicContact CG2-CG2 4.14Å; I36-L66 HydrophobicContact CD1-CD1 4.05Å; I36-L66 HydrophobicContact CG2-CD2 4.01Å; I36-L66 HydrophobicContact CG2-CG 4.21Å; I36-T95 HydrophobicContact CB-CG2 4.1Å; I36-T95 HydrophobicContact CD1-CG2 3.74Å; I36-T95 HydrophobicContact CG1-CG2 3.96Å; I36-I98 HydrophobicContact CD1-CB 3.65Å; I36-I98 HydrophobicContact CD1-CG1 4.15Å; I36-I98 HydrophobicContact CD1-CG2 3.48Å; I36-I98 VanDerWaalsContact CD1-CG2 3.48Å; I36-I98 HydrophobicContact CG1-CG2 4.19Å
37R91.5Very high89.6Confident51 Ų5148.6 Ų48.619%0.19225%0.253CS..Hα-helixtrans-55-37.9-179-173.6-179.9-71.3127.75112.7A33 D34 C39 L40 T449 N453A33-R37 WeakPolarHBondContact O-CB 3.35Å; A33-R37 PolarHBondContact O-N 3.01Å; D34-R37 PolarHBondContact O-N 3.5Å; D34-R37 IonicContact OD1-CZ 2.72Å; D34-R37 IonicContact OD1-NH1 2.69Å; D34-R37 PolarHBondContact OD1-NH1 2.92Å; D34-R37 IonicContact OD1-NH2 3.89Å; D34-R37 PolarHBondContact OD1-NH2 3Å; R37-C39 PolarHBondContact O-N 3.13Å; R37-L40 PolarHBondContact O-N 3.39Å; R37-T449 HydrophobicContact CG-CG2 3.44Å; R37-T449 VanDerWaalsContact CG-CG2 3.44Å; R37-T449 WeakPolarHBondContact O-CG2 3.36Å; R37-N453 PolarHBondContact O-ND2 2.82Å
38T90.9Very high89.3Confident45 Ų4551.6 Ų51.628%0.27627%0.267SS..THydrogen-bonded Turntrans-75-2.9178.964.90000113.8I36 M45 K47I36-T38 PolarHBondContact O-N 3.41Å; T38-M45 PolarHBondContact O-N 3.45Å; T38-K47 WeakPolarHBondContact OG1-CE 3.37Å; T38-K47 PolarHBondContact OG1-NZ 2.93Å
39C88.1Confident88.9Confident8 Ų852.2 Ų52.25%0.05427%0.268CS..THydrogen-bonded Turntrans-92.6-3177.2-55.50000112.6I36 R37 A44 K47 N60 I65 T95I36-C39 WeakPolarHBondContact O-CA 3.43Å; I36-C39 WeakPolarHBondContact O-CB 3.33Å; I36-C39 PolarHBondContact O-N 3.29Å; R37-C39 PolarHBondContact O-N 3.13Å; C39-A44 WeakPolarHBondContact O-CB 3.25Å; C39-K47 VanDerWaalsContact SG-CE 3.58Å; C39-N60 WeakPolarHBondContact CB-O 3.46Å; C39-I65 VanDerWaalsContact SG-CD1 3.55Å; C39-T95 HydrophobicContact CB-CG2 4.23Å
40L89.2Confident88.6Confident19 Ų1958.5 Ų58.510%0.09930%0.301CS..SBendtrans-86.1132.4-179.3-174.273.1000111.9R37 S96 I99 I446 T449 N453R37-L40 PolarHBondContact O-N 3.39Å; L40-S96 WeakPolarHBondContact CD1-OG 3.42Å; L40-I99 HydrophobicContact CB-CD1 3.9Å; L40-I99 HydrophobicContact CD1-CD1 4.49Å; L40-I99 HydrophobicContact CD2-CD1 3.94Å; L40-I99 HydrophobicContact CG-CD1 4.33Å; L40-I446 HydrophobicContact CD2-CD1 3.85Å; L40-I446 HydrophobicContact CD2-CG2 4.35Å; L40-T449 HydrophobicContact CB-CG2 4.01Å; L40-T449 HydrophobicContact CD2-CG2 3.81Å; L40-T449 HydrophobicContact CG-CG2 4.49Å; L40-N453 PolarHBondContact O-ND2 2.83Å
41G86.4Confident88.1Confident18 Ų1856.5 Ų56.519%0.18629%0.294CS..SBendtrans97.3174.7173.300000114.5R43 A44G41-R43 VanDerWaalsContact C-N 3.3Å; G41-R43 PolarHBondContact O-N 2.85Å; G41-A44 VanDerWaalsContact O-CB 3.22Å; G41-A44 WeakPolarHBondContact O-CB 3.32Å; G41-A44 PolarHBondContact O-N 3.48Å
42P79.1Confident87.6Confident44 Ų4458.2 Ų58.229%0.28631%0.307SS..THydrogen-bonded Turntrans-69.4-26.3-173.725.4-32000113.9A44 T161P42-A44 VanDerWaalsContact C-N 3.28Å; P42-A44 PolarHBondContact O-N 3.23Å; P42-T161 HydrophobicContact CB-CG2 3.9Å
43R83.5Confident87.4Confident131 Ų13163.9 Ų63.949%0.49434%0.342SS..THydrogen-bonded Turntrans-97.536.8173.1-66.7-171.6170.3-177.23.2111.9G41 E482G41-R43 VanDerWaalsContact C-N 3.3Å; G41-R43 PolarHBondContact O-N 2.85Å; R43-E482 PolarHBondContact NE-O 3.12Å; R43-E482 PolarHBondContact NH1-O 3.48Å; R43-E482 VanDerWaalsContact NH1-O 3.17Å; R43-E482 PolarHBondContact NH2-O 3.17Å
44A83.4Confident86.9Confident19 Ų1966.4 Ų66.416%0.15737%0.367CS..PPolyproline II helixtrans-60.4134.317500000111.1C39 G41 P42 N60C39-A44 WeakPolarHBondContact O-CB 3.25Å; G41-A44 VanDerWaalsContact O-CB 3.22Å; G41-A44 WeakPolarHBondContact O-CB 3.32Å; G41-A44 PolarHBondContact O-N 3.48Å; P42-A44 VanDerWaalsContact C-N 3.28Å; P42-A44 PolarHBondContact O-N 3.23Å; A44-N60 HydrophobicContact CB-CB 4.37Å
45M84.3Confident86.5Confident125 Ų12564.8 Ų64.862%0.61637%0.366SS*.PPolyproline II helixtrans-82.7132.1175.7-63.2-66-75.500109.8T38T38-M45 PolarHBondContact O-N 3.45Å
46M84.8Confident86.1Confident130 Ų13066.8 Ų66.864%0.6437%0.373SS*.PPolyproline II helixtrans-65.4146.6174.5-68.1-171.2-72.500111.5N60M46-N60 HydrophobicContact CG-CB 4.37Å
47K88.3Confident85.6Confident52 Ų5268.4 Ų68.423%0.22638%0.383CS..EExtended strand (participates in β ladder)trans-108.3135.7170.7-58.3-67.8172148.40108.9V35 T38 C39 M58 T59 I65V35-K47 WeakPolarHBondContact O-CE 3.42Å; V35-K47 PolarHBondContact O-NZ 3.1Å; T38-K47 WeakPolarHBondContact OG1-CE 3.37Å; T38-K47 PolarHBondContact OG1-NZ 2.93Å; C39-K47 VanDerWaalsContact SG-CE 3.58Å; K47-M58 WeakPolarHBondContact O-CA 3.17Å; K47-T59 PolarHBondContact N-O 3.1Å; K47-T59 PolarHBondContact O-N 3.16Å; K47-I65 HydrophobicContact CB-CD1 3.86Å; K47-I65 HydrophobicContact CB-CG1 4.12Å; K47-I65 HydrophobicContact CG-CD1 3.58Å; K47-I65 HydrophobicContact CG-CG1 4.32Å
48M86.9Confident85.2Confident134 Ų13471 Ų7166%0.6640%0.399SS*.EExtended strand (participates in β ladder)trans-100.8120.2172.6-175.7178.6-75.100108I56 M58M48-I56 HydrophobicContact CG-CG2 3.76Å; M48-I56 HydrophobicContact SD-CG2 4.25Å; M48-M58 HydrophobicContact CB-CG 4.42Å; M48-M58 HydrophobicContact CE-CG 4.05Å; M48-M58 HydrophobicContact CE-SD 3.6Å; M48-M58 VanDerWaalsContact CE-SD 3.6Å; M48-M58 HydrophobicContact CG-CG 4.23Å
49L87.1Confident84.7Confident28 Ų2869.1 Ų69.115%0.14739%0.387CS..EExtended strand (participates in β ladder)trans-112.5137.4180-58.6165.9000108.3I56 V57 I65 E68L49-I56 WeakPolarHBondContact O-CA 3.42Å; L49-V57 HydrophobicContact CB-CB 4.37Å; L49-V57 PolarHBondContact N-O 3.34Å; L49-V57 PolarHBondContact O-N 2.82Å; L49-I65 HydrophobicContact CD1-CB 4.22Å; L49-I65 HydrophobicContact CD1-CG1 4.07Å; L49-I65 HydrophobicContact CD1-CG2 4.27Å; L49-I65 HydrophobicContact CD2-CG2 4.36Å; L49-E68 HydrophobicContact CD1-CB 4.11Å; L49-E68 HydrophobicContact CD1-CG 4.25Å
50L86.3Confident84.4Confident132 Ų13269.9 Ų69.969%0.69139%0.391SS*.EExtended strand (participates in β ladder)trans-110.2115.7176.5-175.771.9000108.3I56L50-I56 HydrophobicContact CD1-CG1 4.06Å
51D84.1Confident84.2Confident35 Ų3570.1 Ų70.119%0.18739%0.392CS..  trans-71.5153.7176-65.7-14.2000110.1T53 G54 G55D51-T53 PolarHBondContact O-N 3.44Å; D51-G54 PolarHBondContact O-N 3.01Å; D51-G55 PolarHBondContact N-O 3.14Å
52P83.9Confident84.1Confident121 Ų12169.3 Ų69.379%0.78638%0.383SS*.THydrogen-bonded Turntrans-57.6-22174.7-2433.5000113.9G54P52-G54 VanDerWaalsContact C-N 3.34Å
53T87.4Confident84.5Confident129 Ų12967.4 Ų67.479%0.79137%0.371SS*.THydrogen-bonded Turntrans-85.7-3177.352.70000113.5D51D51-T53 PolarHBondContact O-N 3.44Å
54G84Confident84.5Confident52 Ų5261.5 Ų61.554%0.53635%0.35SS..SBendtrans85.56.8-176.500000114.7D51 P52D51-G54 PolarHBondContact O-N 3.01Å; P52-G54 VanDerWaalsContact C-N 3.34Å
55G83.8Confident84.7Confident29 Ų2960.7 Ų60.730%0.29934%0.343SS..  trans-66.1139.6168.500000111D51D51-G55 PolarHBondContact N-O 3.14Å
56I83.8Confident85Confident100 Ų10054.8 Ų54.851%0.51331%0.314SS..EExtended strand (participates in β ladder)trans-107.8120.4175.5-58.7174.1000107.8M48 L49 L50 M58M48-I56 HydrophobicContact CG-CG2 3.76Å; M48-I56 HydrophobicContact SD-CG2 4.25Å; L49-I56 WeakPolarHBondContact O-CA 3.42Å; L50-I56 HydrophobicContact CD1-CG1 4.06Å; I56-M58 HydrophobicContact CG2-CG 4.26Å
57V80.6Confident85.1Confident34 Ų3453.6 Ų53.621%0.20630%0.303CS..EExtended strand (participates in β ladder)trans-109.3116.3173.6-1780000108.1L49 T59L49-V57 HydrophobicContact CB-CB 4.37Å; L49-V57 PolarHBondContact N-O 3.34Å; L49-V57 PolarHBondContact O-N 2.82Å; V57-T59 HydrophobicContact CG1-CG2 4.34Å
58M82.6Confident85Confident107 Ų10755.4 Ų55.453%0.52731%0.312SS..EExtended strand (participates in β ladder)trans-102.9120.7170.7-69-173-6900108.8K47 M48 I56K47-M58 WeakPolarHBondContact O-CA 3.17Å; M48-M58 HydrophobicContact CB-CG 4.42Å; M48-M58 HydrophobicContact CE-CG 4.05Å; M48-M58 HydrophobicContact CE-SD 3.6Å; M48-M58 VanDerWaalsContact CE-SD 3.6Å; M48-M58 HydrophobicContact CG-CG 4.23Å; I56-M58 HydrophobicContact CG2-CG 4.26Å
59T81.7Confident85Confident5 Ų551.2 Ų51.23%0.03129%0.291CS..EExtended strand (participates in β ladder)trans-156.8153.1178.1-168.50000111.5K47 V57 D61 A64 I65K47-T59 PolarHBondContact N-O 3.1Å; K47-T59 PolarHBondContact O-N 3.16Å; V57-T59 HydrophobicContact CG1-CG2 4.34Å; T59-D61 PolarHBondContact OG1-N 3.45Å; T59-A64 HydrophobicContact CG2-CB 3.95Å; T59-I65 HydrophobicContact CG2-CD1 4.48Å; T59-I65 HydrophobicContact CG2-CG1 3.76Å
60N82.3Confident85Confident23 Ų2358 Ų5812%0.12332%0.323CS..  trans-103.4-4.1169.763.7-18.2000112.5C39 A44 M46 G62C39-N60 WeakPolarHBondContact CB-O 3.46Å; A44-N60 HydrophobicContact CB-CB 4.37Å; M46-N60 HydrophobicContact CG-CB 4.37Å; N60-G62 PolarHBondContact O-N 3.17Å
61D83.5Confident85.1Confident25 Ų2553.5 Ų53.513%0.13430%0.3CS..  trans-74.2118.5177.7171.419.5000110.9T59 N63 A64 I65T59-D61 PolarHBondContact OG1-N 3.45Å; D61-N63 VanDerWaalsContact C-N 3.32Å; D61-N63 PolarHBondContact O-N 2.9Å; D61-N63 PolarHBondContact OD1-N 3.31Å; D61-A64 HydrophobicContact CB-CB 4.06Å; D61-A64 PolarHBondContact O-N 3.39Å; D61-A64 WeakPolarHBondContact OD2-CB 3.33Å; D61-A64 PolarHBondContact OD2-N 3.46Å; D61-I65 WeakPolarHBondContact O-CD1 3.48Å; D61-I65 VanDerWaalsContact O-CG1 3.26Å; D61-I65 WeakPolarHBondContact O-CG1 3.28Å; D61-I65 PolarHBondContact O-N 3.3Å
62G85.4Confident85.3Confident0 Ų060.5 Ų60.50%033%0.332CS..Hα-helixtrans-57.7-40.1-17900000113.5N60 I65 L66N60-G62 PolarHBondContact O-N 3.17Å; G62-I65 PolarHBondContact O-N 2.86Å; G62-L66 WeakPolarHBondContact O-CB 3.26Å; G62-L66 VanDerWaalsContact O-CG 3.27Å; G62-L66 WeakPolarHBondContact O-CG 3.45Å; G62-L66 PolarHBondContact O-N 2.85Å
63N86.3Confident85.6Confident4 Ų457.3 Ų57.32%0.02131%0.306CS..Hα-helixtrans-71.7-41.5-178.6168.955.4000111.5D61 I65 L66 R67 D87 T94D61-N63 VanDerWaalsContact C-N 3.32Å; D61-N63 PolarHBondContact O-N 2.9Å; D61-N63 PolarHBondContact OD1-N 3.31Å; N63-I65 VanDerWaalsContact C-N 3.29Å; N63-I65 PolarHBondContact O-N 3.5Å; N63-L66 PolarHBondContact O-N 3.15Å; N63-R67 PolarHBondContact ND2-NE 3.17Å; N63-R67 PolarHBondContact ND2-NH2 2.66Å; N63-R67 VanDerWaalsContact O-CG 3.32Å; N63-R67 WeakPolarHBondContact O-CG 3.21Å; N63-R67 PolarHBondContact O-N 3.21Å; N63-R67 PolarHBondContact OD1-NE 3.16Å; N63-R67 VanDerWaalsContact OD1-NE 3.14Å; N63-D87 PolarHBondContact ND2-OD1 3.03Å; N63-D87 PolarHBondContact ND2-OD2 3.35Å; N63-T94 HydrophobicContact CB-CG2 3.94Å
64A83.6Confident85.7Confident8 Ų854.4 Ų54.47%0.06629%0.29CS..Hα-helixtrans-58.1-42171.600000111.9T59 D61 R67T59-A64 HydrophobicContact CG2-CB 3.95Å; D61-A64 HydrophobicContact CB-CB 4.06Å; D61-A64 PolarHBondContact O-N 3.39Å; D61-A64 WeakPolarHBondContact OD2-CB 3.33Å; D61-A64 PolarHBondContact OD2-N 3.46Å; A64-R67 PolarHBondContact O-N 2.88Å
65I89.3Confident86.1Confident1 Ų152 Ų521%0.00527%0.265CS..Hα-helixtrans-61.8-49176.6-66.3156.9000111.3I36 C39 K47 L49 T59 D61 G62 N63 R67 E68 I69I36-I65 HydrophobicContact CG2-CG2 4.14Å; C39-I65 VanDerWaalsContact SG-CD1 3.55Å; K47-I65 HydrophobicContact CB-CD1 3.86Å; K47-I65 HydrophobicContact CB-CG1 4.12Å; K47-I65 HydrophobicContact CG-CD1 3.58Å; K47-I65 HydrophobicContact CG-CG1 4.32Å; L49-I65 HydrophobicContact CD1-CB 4.22Å; L49-I65 HydrophobicContact CD1-CG1 4.07Å; L49-I65 HydrophobicContact CD1-CG2 4.27Å; L49-I65 HydrophobicContact CD2-CG2 4.36Å; T59-I65 HydrophobicContact CG2-CD1 4.48Å; T59-I65 HydrophobicContact CG2-CG1 3.76Å; D61-I65 WeakPolarHBondContact O-CD1 3.48Å; D61-I65 VanDerWaalsContact O-CG1 3.26Å; D61-I65 WeakPolarHBondContact O-CG1 3.28Å; D61-I65 PolarHBondContact O-N 3.3Å; G62-I65 PolarHBondContact O-N 2.86Å; N63-I65 VanDerWaalsContact C-N 3.29Å; N63-I65 PolarHBondContact O-N 3.5Å; I65-R67 PolarHBondContact O-N 2.96Å; I65-E68 PolarHBondContact O-N 2.76Å; I65-I69 HydrophobicContact CG2-CD1 3.63Å; I65-I69 HydrophobicContact CG2-CG1 4.39Å; I65-I69 WeakPolarHBondContact O-CG1 3.37Å; I65-I69 PolarHBondContact O-N 3.16Å
66L89.6Confident86.5Confident1 Ų150.7 Ų50.71%0.00525%0.251CS..Hα-helixtrans-66.7-22.2-177.9-70.2178.7000113.4I32 I36 G62 N63 I69 I80 I98I32-L66 HydrophobicContact CG2-CD2 3.65Å; I36-L66 HydrophobicContact CD1-CD1 4.05Å; I36-L66 HydrophobicContact CG2-CD2 4.01Å; I36-L66 HydrophobicContact CG2-CG 4.21Å; G62-L66 WeakPolarHBondContact O-CB 3.26Å; G62-L66 VanDerWaalsContact O-CG 3.27Å; G62-L66 WeakPolarHBondContact O-CG 3.45Å; G62-L66 PolarHBondContact O-N 2.85Å; N63-L66 PolarHBondContact O-N 3.15Å; L66-I69 HydrophobicContact CD2-CD1 4.47Å; L66-I80 HydrophobicContact CB-CG1 4.21Å; L66-I80 HydrophobicContact CB-CG2 4.29Å; L66-I80 HydrophobicContact CD2-CG1 4.18Å; L66-I80 WeakPolarHBondContact O-CG2 2.85Å; L66-I98 HydrophobicContact CD1-CD1 4.36Å; L66-I98 HydrophobicContact CD1-CG1 3.95Å
67R86.5Confident86.9Confident106 Ų10651 Ų5140%0.425%0.249SC..Hα-helixtrans-71.8-34.1175.9-76.3174.3-171.9-170.90.7113N63 A64 I65 D87N63-R67 PolarHBondContact ND2-NE 3.17Å; N63-R67 PolarHBondContact ND2-NH2 2.66Å; N63-R67 VanDerWaalsContact O-CG 3.32Å; N63-R67 WeakPolarHBondContact O-CG 3.21Å; N63-R67 PolarHBondContact O-N 3.21Å; N63-R67 PolarHBondContact OD1-NE 3.16Å; N63-R67 VanDerWaalsContact OD1-NE 3.14Å; A64-R67 PolarHBondContact O-N 2.88Å; I65-R67 PolarHBondContact O-N 2.96Å; R67-D87 IonicContact CZ-OD2 3.26Å; R67-D87 IonicContact NH2-OD2 2.6Å; R67-D87 PolarHBondContact NH2-OD2 3.1Å
68E86.4Confident87.5Confident89 Ų8950.9 Ų50.942%0.41625%0.249SC..Hα-helixtrans-86.1-23-179.5-57.9-53.3152.700112.9L49 I65 Q70L49-E68 HydrophobicContact CD1-CB 4.11Å; L49-E68 HydrophobicContact CD1-CG 4.25Å; I65-E68 PolarHBondContact O-N 2.76Å; E68-Q70 PolarHBondContact O-N 3Å
69I87.1Confident87.9Confident46 Ų4645.8 Ų45.824%0.23622%0.224CC..  trans-71.9120.8179-65.6169.7000110.5V35 I65 L66 V71V35-I69 HydrophobicContact CG1-CD1 3.91Å; I65-I69 HydrophobicContact CG2-CD1 3.63Å; I65-I69 HydrophobicContact CG2-CG1 4.39Å; I65-I69 WeakPolarHBondContact O-CG1 3.37Å; I65-I69 PolarHBondContact O-N 3.16Å; L66-I69 HydrophobicContact CD2-CD1 4.47Å; I69-V71 HydrophobicContact CG2-CG2 3.69Å
70Q86.6Confident88.4Confident172 Ų17246.1 Ų46.180%0.80423%0.226SC*.  trans-88.4118.8171.2-63-175.87.800110.7E68E68-Q70 PolarHBondContact O-N 3Å
71V88.9Confident88.8Confident36 Ų3650.4 Ų50.422%0.21825%0.245CC..  trans-116.6138.9179.5-1610000111.6I32 I69 A76 K77 I80I32-V71 HydrophobicContact CD1-CG2 3.78Å; I69-V71 HydrophobicContact CG2-CG2 3.69Å; V71-A76 HydrophobicContact CB-CB 4.14Å; V71-A76 HydrophobicContact CG1-CB 3.39Å; V71-A76 HydrophobicContact CG2-CB 4.43Å; V71-K77 WeakPolarHBondContact O-CE 3.36Å; V71-I80 HydrophobicContact CB-CD1 4.39Å; V71-I80 HydrophobicContact CG2-CD1 3.45Å; V71-I80 VanDerWaalsContact CG2-CD1 3.45Å
72Q87.9Confident89.1Confident182 Ų18250.4 Ų50.485%0.8525%0.245SC*.  trans-84.5-41.7178.2-63.7-177.5-3.800112.1
73H90.1Very high89.3Confident54 Ų5450.4 Ų50.425%0.2525%0.245CC..SBendtrans-69.3127.8-173.6-166.2-77.9000112.2N25 A28 A75 A76 K77N25-H73 PolarHBondContact OD1-CE1 2.99Å; N25-H73 VanDerWaalsContact OD1-CE1 3.22Å; A28-H73 HydrophobicContact CB-CB 4.1Å; A28-H73 WeakPolarHBondContact CB-ND1 3.49Å; H73-A75 WeakPolarHBondContact ND1-CB 3.23Å; H73-A75 PolarHBondContact ND1-N 3.43Å; H73-A75 VanDerWaalsContact ND1-N 3.16Å; H73-A75 PolarHBondContact O-N 3.18Å; H73-A76 HydrophobicContact CB-CB 4.39Å; H73-A76 PolarHBondContact O-N 3.39Å; H73-A76 VanDerWaalsContact O-N 3.15Å; H73-K77 PolarHBondContact O-N 3.41Å
74P90.8Very high89.5Confident68 Ų6855.4 Ų55.444%0.44226%0.263SS..Hα-helixtrans-57.8-43.2-176.8-2634.3000114.2A76 K77 S78P74-A76 VanDerWaalsContact C-N 3.25Å; P74-A76 PolarHBondContact O-N 3.4Å; P74-K77 WeakPolarHBondContact O-CB 3.3Å; P74-K77 PolarHBondContact O-N 3.41Å; P74-S78 PolarHBondContact O-N 2.74Å; P74-S78 PolarHBondContact O-OG 3.15Å
75A91.8Very high89.7Confident2 Ų258.3 Ų58.32%0.01728%0.281CS..Hα-helixtrans-58.6-37.4178.600000112.9N25 A28 H73 S78 M79 L515N25-A75 HydrophobicContact CB-CB 4.01Å; A28-A75 HydrophobicContact CB-CB 4.44Å; H73-A75 WeakPolarHBondContact ND1-CB 3.23Å; H73-A75 PolarHBondContact ND1-N 3.43Å; H73-A75 VanDerWaalsContact ND1-N 3.16Å; H73-A75 PolarHBondContact O-N 3.18Å; A75-S78 PolarHBondContact O-N 2.93Å; A75-M79 WeakPolarHBondContact O-CG 3.3Å; A75-M79 PolarHBondContact O-N 2.79Å; A75-M79 VanDerWaalsContact O-N 3.08Å; A75-L515 HydrophobicContact CB-CD1 4.3Å; A75-L515 HydrophobicContact CB-CD2 3.65Å
76A92.7Very high89.8Confident1 Ų158.3 Ų58.31%0.00828%0.28CS..Hα-helixtrans-72.4-31.917700000112.3A28 I32 V71 H73 P74 M79 I80A28-A76 HydrophobicContact CB-CB 4.31Å; I32-A76 HydrophobicContact CD1-CB 4.11Å; I32-A76 HydrophobicContact CG1-CB 3.62Å; V71-A76 HydrophobicContact CB-CB 4.14Å; V71-A76 HydrophobicContact CG1-CB 3.39Å; V71-A76 HydrophobicContact CG2-CB 4.43Å; H73-A76 HydrophobicContact CB-CB 4.39Å; H73-A76 PolarHBondContact O-N 3.39Å; H73-A76 VanDerWaalsContact O-N 3.15Å; P74-A76 VanDerWaalsContact C-N 3.25Å; P74-A76 PolarHBondContact O-N 3.4Å; A76-M79 WeakPolarHBondContact O-CB 3.35Å; A76-M79 PolarHBondContact O-N 3.25Å; A76-I80 WeakPolarHBondContact O-CG1 3.39Å; A76-I80 PolarHBondContact O-N 3.27Å; A76-I80 VanDerWaalsContact O-N 3.07Å
77K92.3Very high89.7Confident106 Ų10659.7 Ų59.746%0.46129%0.288SS..Hα-helixtrans-63-44.3170.5-65.9-177.9179.7-179.50111.2V71 H73 P74 M79 I80 E81V71-K77 WeakPolarHBondContact O-CE 3.36Å; H73-K77 PolarHBondContact O-N 3.41Å; P74-K77 WeakPolarHBondContact O-CB 3.3Å; P74-K77 PolarHBondContact O-N 3.41Å; K77-M79 VanDerWaalsContact C-N 3.32Å; K77-M79 PolarHBondContact O-N 2.84Å; K77-I80 PolarHBondContact O-N 2.88Å; K77-I80 VanDerWaalsContact O-N 3.12Å; K77-E81 WeakPolarHBondContact O-CG 2.86Å; K77-E81 PolarHBondContact O-N 2.93Å
78S91.8Very high89.6Confident32 Ų3259.9 Ų59.922%0.22429%0.293CS..Hα-helixtrans-57.8-44.8174.6-58.20000111.3P74 A75 I80 E81 I82P74-S78 PolarHBondContact O-N 2.74Å; P74-S78 PolarHBondContact O-OG 3.15Å; A75-S78 PolarHBondContact O-N 2.93Å; S78-I80 VanDerWaalsContact C-N 3.32Å; S78-I80 PolarHBondContact O-N 3.35Å; S78-E81 PolarHBondContact O-N 2.85Å; S78-I82 VanDerWaalsContact O-CD1 3.23Å; S78-I82 WeakPolarHBondContact O-CD1 3.3Å; S78-I82 VanDerWaalsContact O-CG1 3.3Å; S78-I82 WeakPolarHBondContact O-CG1 3.5Å; S78-I82 PolarHBondContact O-N 2.92Å
79M91.4Very high89.6Confident0 Ų061 Ų610%030%0.299CS..Hα-helixtrans-56.3-44.5174.5-65.7-74.3-66.200112A29 I32 A75 A76 K77 I82 S83 I98 A101 T511 L515A29-M79 HydrophobicContact CB-CE 4.23Å; A29-M79 HydrophobicContact CB-CG 3.99Å; A29-M79 HydrophobicContact CB-SD 3.96Å; I32-M79 HydrophobicContact CG2-CB 4.38Å; A75-M79 WeakPolarHBondContact O-CG 3.3Å; A75-M79 PolarHBondContact O-N 2.79Å; A75-M79 VanDerWaalsContact O-N 3.08Å; A76-M79 WeakPolarHBondContact O-CB 3.35Å; A76-M79 PolarHBondContact O-N 3.25Å; K77-M79 VanDerWaalsContact C-N 3.32Å; K77-M79 PolarHBondContact O-N 2.84Å; M79-I82 PolarHBondContact O-N 2.92Å; M79-S83 PolarHBondContact O-N 3.2Å; M79-I98 HydrophobicContact CB-CD1 4.29Å; M79-I98 HydrophobicContact CE-CB 4.41Å; M79-I98 HydrophobicContact CE-CD1 4.08Å; M79-I98 HydrophobicContact CE-CG2 3.85Å; M79-I98 WeakPolarHBondContact O-CD1 3.4Å; M79-A101 HydrophobicContact CE-CB 3.83Å; M79-A101 HydrophobicContact SD-CB 4.15Å; M79-T511 HydrophobicContact SD-CG2 3.52Å; M79-T511 VanDerWaalsContact SD-CG2 3.52Å; M79-L515 HydrophobicContact CG-CD1 4.23Å; M79-L515 HydrophobicContact SD-CD1 3.99Å
80I91.9Very high89.4Confident12 Ų1259.4 Ų59.46%0.06229%0.291CS..Hα-helixtrans-63.8-42177.6-67.5169000111.6L66 V71 A76 K77 S78 I82 S83 R84L66-I80 HydrophobicContact CB-CG1 4.21Å; L66-I80 HydrophobicContact CB-CG2 4.29Å; L66-I80 HydrophobicContact CD2-CG1 4.18Å; L66-I80 WeakPolarHBondContact O-CG2 2.85Å; V71-I80 HydrophobicContact CB-CD1 4.39Å; V71-I80 HydrophobicContact CG2-CD1 3.45Å; V71-I80 VanDerWaalsContact CG2-CD1 3.45Å; A76-I80 WeakPolarHBondContact O-CG1 3.39Å; A76-I80 PolarHBondContact O-N 3.27Å; A76-I80 VanDerWaalsContact O-N 3.07Å; K77-I80 PolarHBondContact O-N 2.88Å; K77-I80 VanDerWaalsContact O-N 3.12Å; S78-I80 VanDerWaalsContact C-N 3.32Å; S78-I80 PolarHBondContact O-N 3.35Å; I80-I82 VanDerWaalsContact C-N 3.29Å; I80-I82 PolarHBondContact O-N 3.38Å; I80-S83 WeakPolarHBondContact O-CB 3.37Å; I80-S83 PolarHBondContact O-N 3.05Å; I80-R84 PolarHBondContact O-N 3.45Å
81E90.6Very high89.1Confident114 Ų11451.3 Ų51.353%0.53325%0.254SS..Hα-helixtrans-61.7-37.9177.9-72.7171.7-177.900111.9K77 S78 R84 T85K77-E81 WeakPolarHBondContact O-CG 2.86Å; K77-E81 PolarHBondContact O-N 2.93Å; S78-E81 PolarHBondContact O-N 2.85Å; E81-R84 WeakPolarHBondContact O-CB 3.19Å; E81-R84 PolarHBondContact O-N 3.32Å; E81-R84 VanDerWaalsContact O-N 3.08Å; E81-T85 PolarHBondContact O-N 3.14Å; E81-T85 VanDerWaalsContact O-N 3.07Å
82I89.9Confident88.9Confident24 Ų2451.7 Ų51.712%0.12326%0.255CS..Hα-helixtrans-67.1-36.6177.1-67.6152.4000111.8S78 M79 I80 R84 T85 Q86 V97 T511S78-I82 VanDerWaalsContact O-CD1 3.23Å; S78-I82 WeakPolarHBondContact O-CD1 3.3Å; S78-I82 VanDerWaalsContact O-CG1 3.3Å; S78-I82 WeakPolarHBondContact O-CG1 3.5Å; S78-I82 PolarHBondContact O-N 2.92Å; M79-I82 PolarHBondContact O-N 2.92Å; I80-I82 VanDerWaalsContact C-N 3.29Å; I80-I82 PolarHBondContact O-N 3.38Å; I82-R84 PolarHBondContact O-N 2.99Å; I82-T85 WeakPolarHBondContact CA-OG1 3.5Å; I82-T85 PolarHBondContact O-N 3.39Å; I82-T85 PolarHBondContact O-OG1 3.12Å; I82-Q86 WeakPolarHBondContact O-CB 3.03Å; I82-Q86 PolarHBondContact O-N 3.18Å; I82-V97 HydrophobicContact CG2-CG1 3.77Å; I82-T511 HydrophobicContact CD1-CG2 3.28Å; I82-T511 WeakPolarHBondContact CD1-OG1 3.47Å
83S90.5Very high88.8Confident0 Ų043.4 Ų43.40%022%0.218CC..Hα-helixtrans-60.9-33.5172-176.70000111.7M79 I80 D87M79-S83 PolarHBondContact O-N 3.2Å; I80-S83 WeakPolarHBondContact O-CB 3.37Å; I80-S83 PolarHBondContact O-N 3.05Å; S83-D87 WeakPolarHBondContact O-CB 3.25Å; S83-D87 PolarHBondContact O-N 3.17Å
84R89.1Confident88.7Confident109 Ų10941 Ų4141%0.41121%0.207SC..Hα-helixtrans-72.7-41.6178.4-63.7175.6-178.5-172.4-1.8111.7I80 E81 I82 Q86 D87 E88I80-R84 PolarHBondContact O-N 3.45Å; E81-R84 WeakPolarHBondContact O-CB 3.19Å; E81-R84 PolarHBondContact O-N 3.32Å; E81-R84 VanDerWaalsContact O-N 3.08Å; I82-R84 PolarHBondContact O-N 2.99Å; R84-Q86 VanDerWaalsContact C-N 3.34Å; R84-D87 WeakPolarHBondContact O-CB 3.32Å; R84-D87 PolarHBondContact O-N 3.01Å; R84-E88 WeakPolarHBondContact O-CG 3.29Å; R84-E88 PolarHBondContact O-N 3.49Å
85T89.6Confident88.8Confident70 Ų7038.6 Ų38.643%0.42919%0.191SC..Hα-helixtrans-67-37.9177.756.40000111.6E81 I82 D87 E88 E89E81-T85 PolarHBondContact O-N 3.14Å; E81-T85 VanDerWaalsContact O-N 3.07Å; I82-T85 WeakPolarHBondContact CA-OG1 3.5Å; I82-T85 PolarHBondContact O-N 3.39Å; I82-T85 PolarHBondContact O-OG1 3.12Å; T85-D87 PolarHBondContact O-N 3.17Å; T85-E88 PolarHBondContact O-N 3.43Å; T85-E89 WeakPolarHBondContact O-CG 3.34Å; T85-E89 PolarHBondContact O-N 3Å
86Q90.2Very high88.8Confident0 Ų039.2 Ų39.20%020%0.195CC..Hα-helixtrans-60.3-44.9173.9-174.468.523.200112.2I82 R84 E89 V90 G91 D92 T94 V97 T507I82-Q86 WeakPolarHBondContact O-CB 3.03Å; I82-Q86 PolarHBondContact O-N 3.18Å; R84-Q86 VanDerWaalsContact C-N 3.34Å; Q86-E89 PolarHBondContact O-N 2.88Å; Q86-V90 HydrophobicContact CG-CG2 4.31Å; Q86-V90 WeakPolarHBondContact O-CG2 3.48Å; Q86-V90 PolarHBondContact O-N 2.86Å; Q86-V90 VanDerWaalsContact O-N 3.14Å; Q86-G91 PolarHBondContact O-N 3.24Å; Q86-D92 PolarHBondContact NE2-O 3.03Å; Q86-T94 HydrophobicContact CB-CG2 4.46Å; Q86-T94 HydrophobicContact CG-CG2 4.32Å; Q86-V97 HydrophobicContact CB-CG2 4.47Å; Q86-V97 HydrophobicContact CG-CG2 3.77Å; Q86-T507 PolarHBondContact OE1-OG1 3.05Å
87D87.3Confident88.9Confident30 Ų3039.2 Ų39.216%0.1620%0.195CC..Hα-helixtrans-61.8-41.2177.4-17472.3000112.1N63 R67 S83 R84 T85 G91 T94N63-D87 PolarHBondContact ND2-OD1 3.03Å; N63-D87 PolarHBondContact ND2-OD2 3.35Å; R67-D87 IonicContact CZ-OD2 3.26Å; R67-D87 IonicContact NH2-OD2 2.6Å; R67-D87 PolarHBondContact NH2-OD2 3.1Å; S83-D87 WeakPolarHBondContact O-CB 3.25Å; S83-D87 PolarHBondContact O-N 3.17Å; R84-D87 WeakPolarHBondContact O-CB 3.32Å; R84-D87 PolarHBondContact O-N 3.01Å; T85-D87 PolarHBondContact O-N 3.17Å; D87-G91 VanDerWaalsContact O-CA 3.23Å; D87-G91 WeakPolarHBondContact O-CA 3.41Å; D87-G91 PolarHBondContact O-N 3.03Å; D87-G91 VanDerWaalsContact O-N 3.16Å; D87-T94 HydrophobicContact CB-CG2 3.76Å
88E85.4Confident89.1Confident110 Ų11034.2 Ų34.251%0.51417%0.173SC..Hα-helixtrans-72.2-35.7179.8-71.1-167.1135.700113.5R84 T85 K195R84-E88 WeakPolarHBondContact O-CG 3.29Å; R84-E88 PolarHBondContact O-N 3.49Å; T85-E88 PolarHBondContact O-N 3.43Å; E88-K195 IonicContact OE1-NZ 3.25Å; E88-K195 PolarHBondContact OE1-NZ 2.73Å; E88-K195 VanDerWaalsContact OE1-NZ 3.09Å
89E85.1Confident89.3Confident114 Ų11432.7 Ų32.753%0.53316%0.163SC..Hα-helixtrans-77.7-56.5-176.6-74.1-61.5145.300112.6T85 Q86 R398T85-E89 WeakPolarHBondContact O-CG 3.34Å; T85-E89 PolarHBondContact O-N 3Å; Q86-E89 PolarHBondContact O-N 2.88Å; E89-R398 PolarHBondContact O-NH1 3.24Å
90V84.1Confident89.5Confident11 Ų1132.7 Ų32.77%0.06716%0.163CC..Hα-helixtrans-118.7-9.4-170.9-620000114.1Q86 D92 Q395 N399 V500 Q503Q86-V90 HydrophobicContact CG-CG2 4.31Å; Q86-V90 WeakPolarHBondContact O-CG2 3.48Å; Q86-V90 PolarHBondContact O-N 2.86Å; Q86-V90 VanDerWaalsContact O-N 3.14Å; V90-D92 WeakPolarHBondContact CG2-O 3.35Å; V90-D92 PolarHBondContact O-N 2.83Å; V90-Q395 WeakPolarHBondContact O-CB 3.23Å; V90-N399 PolarHBondContact O-ND2 2.96Å; V90-V500 HydrophobicContact CB-CG2 4.23Å; V90-Q503 HydrophobicContact CG1-CB 4.07Å; V90-Q503 HydrophobicContact CG1-CG 4.21Å; V90-Q503 HydrophobicContact CG2-CG 4.5Å
91G80.8Confident89.6Confident3 Ų332.1 Ų32.13%0.03116%0.16CC..SBendtrans73.5-21.7177.100000116.4Q86 D87Q86-G91 PolarHBondContact O-N 3.24Å; D87-G91 VanDerWaalsContact O-CA 3.23Å; D87-G91 WeakPolarHBondContact O-CA 3.41Å; D87-G91 PolarHBondContact O-N 3.03Å; D87-G91 VanDerWaalsContact O-N 3.16Å
92D83.1Confident89.9Confident44 Ų4426.8 Ų26.824%0.23514%0.135CC..SBendtrans-127.6166.5-178.1-16110.1000112.4Q86 V90 T94 V396 V500Q86-D92 PolarHBondContact NE2-O 3.03Å; V90-D92 WeakPolarHBondContact CG2-O 3.35Å; V90-D92 PolarHBondContact O-N 2.83Å; D92-T94 VanDerWaalsContact C-N 3.32Å; D92-T94 PolarHBondContact O-N 3.42Å; D92-V396 HydrophobicContact CB-CG2 4.34Å; D92-V500 HydrophobicContact CB-CG1 4.31Å
93G86Confident90.1Very high7 Ų727.1 Ų27.17%0.07214%0.137CC..  trans78.711.7179.400000114.3T95 S96 V97G93-T95 VanDerWaalsContact C-N 3.29Å; G93-T95 PolarHBondContact O-N 3.28Å; G93-S96 PolarHBondContact O-N 3.46Å; G93-S96 VanDerWaalsContact O-N 3.14Å; G93-V97 WeakPolarHBondContact O-CG2 3.47Å; G93-V97 PolarHBondContact O-N 3.25Å
94T89.3Confident90.4Very high5 Ų527.1 Ų27.13%0.03114%0.137CC..Hα-helixtrans-54.3-45.5178.657.60000111.8N63 Q86 D87 D92 I98N63-T94 HydrophobicContact CB-CG2 3.94Å; Q86-T94 HydrophobicContact CB-CG2 4.46Å; Q86-T94 HydrophobicContact CG-CG2 4.32Å; D87-T94 HydrophobicContact CB-CG2 3.76Å; D92-T94 VanDerWaalsContact C-N 3.32Å; D92-T94 PolarHBondContact O-N 3.42Å; T94-I98 WeakPolarHBondContact O-CG1 3.48Å
95T91.7Very high90.6Very high17 Ų1722 Ų2210%0.10412%0.117CC..Hα-helixtrans-68.9-41.4178.8-26.20000111.4I36 C39 G93 V97 I98 I99I36-T95 HydrophobicContact CB-CG2 4.1Å; I36-T95 HydrophobicContact CD1-CG2 3.74Å; I36-T95 HydrophobicContact CG1-CG2 3.96Å; C39-T95 HydrophobicContact CB-CG2 4.23Å; G93-T95 VanDerWaalsContact C-N 3.29Å; G93-T95 PolarHBondContact O-N 3.28Å; T95-V97 PolarHBondContact O-N 3.49Å; T95-I98 PolarHBondContact O-N 3.23Å; T95-I99 HydrophobicContact CG2-CD1 4.04Å; T95-I99 VanDerWaalsContact O-CG1 3.27Å; T95-I99 WeakPolarHBondContact O-CG1 3.12Å; T95-I99 PolarHBondContact O-N 2.92Å
96S93Very high90.9Very high15 Ų1519.7 Ų19.711%0.10511%0.105CC..Hα-helixtrans-62.4-41.5-179.3-55.70000112.1L40 G93 I98 I99 L100L40-S96 WeakPolarHBondContact CD1-OG 3.42Å; G93-S96 PolarHBondContact O-N 3.46Å; G93-S96 VanDerWaalsContact O-N 3.14Å; S96-I98 VanDerWaalsContact C-N 3.35Å; S96-I98 PolarHBondContact O-N 3.23Å; S96-I99 PolarHBondContact O-N 3.15Å; S96-L100 WeakPolarHBondContact O-CB 3.1Å; S96-L100 VanDerWaalsContact O-CG 3.31Å; S96-L100 WeakPolarHBondContact O-CG 3.4Å; S96-L100 PolarHBondContact O-N 3.45Å
97V95Very high91Very high0 Ų020.6 Ų20.60%011%0.111CC..Hα-helixtrans-58-48.1177.1172.10000111.4I82 Q86 G93 T95 L100 A101 T504 T507 A508I82-V97 HydrophobicContact CG2-CG1 3.77Å; Q86-V97 HydrophobicContact CB-CG2 4.47Å; Q86-V97 HydrophobicContact CG-CG2 3.77Å; G93-V97 WeakPolarHBondContact O-CG2 3.47Å; G93-V97 PolarHBondContact O-N 3.25Å; T95-V97 PolarHBondContact O-N 3.49Å; V97-L100 PolarHBondContact O-N 2.78Å; V97-A101 VanDerWaalsContact O-CB 3.25Å; V97-A101 WeakPolarHBondContact O-CB 3.31Å; V97-A101 PolarHBondContact O-N 3.01Å; V97-T504 HydrophobicContact CG2-CG2 3.8Å; V97-T507 WeakPolarHBondContact CG1-OG1 3.45Å; V97-T507 VanDerWaalsContact CG2-OG1 3.3Å; V97-T507 WeakPolarHBondContact CG2-OG1 3.43Å; V97-A508 HydrophobicContact CG1-CB 4.49Å
98I95.1Very high91.3Very high1 Ų119.2 Ų19.21%0.00510%0.103CC..Hα-helixtrans-69.3-40-175.7-60.8-63.3000111.2I32 A33 I36 L66 M79 T94 T95 S96 G102I32-I98 HydrophobicContact CG2-CG2 4Å; A33-I98 HydrophobicContact CB-CG2 4.35Å; I36-I98 HydrophobicContact CD1-CB 3.65Å; I36-I98 HydrophobicContact CD1-CG1 4.15Å; I36-I98 HydrophobicContact CD1-CG2 3.48Å; I36-I98 VanDerWaalsContact CD1-CG2 3.48Å; I36-I98 HydrophobicContact CG1-CG2 4.19Å; L66-I98 HydrophobicContact CD1-CD1 4.36Å; L66-I98 HydrophobicContact CD1-CG1 3.95Å; M79-I98 HydrophobicContact CB-CD1 4.29Å; M79-I98 HydrophobicContact CE-CB 4.41Å; M79-I98 HydrophobicContact CE-CD1 4.08Å; M79-I98 HydrophobicContact CE-CG2 3.85Å; M79-I98 WeakPolarHBondContact O-CD1 3.4Å; T94-I98 WeakPolarHBondContact O-CG1 3.48Å; T95-I98 PolarHBondContact O-N 3.23Å; S96-I98 VanDerWaalsContact C-N 3.35Å; S96-I98 PolarHBondContact O-N 3.23Å; I98-G102 PolarHBondContact O-N 3.13Å
99I95.6Very high91.6Very high0 Ų015.9 Ų15.90%09%0.088CC..Hα-helixtrans-64.7-46176.1-65.2165.9000110.5L40 T95 S96 G102 E103 V445 I446L40-I99 HydrophobicContact CB-CD1 3.9Å; L40-I99 HydrophobicContact CD1-CD1 4.49Å; L40-I99 HydrophobicContact CD2-CD1 3.94Å; L40-I99 HydrophobicContact CG-CD1 4.33Å; T95-I99 HydrophobicContact CG2-CD1 4.04Å; T95-I99 VanDerWaalsContact O-CG1 3.27Å; T95-I99 WeakPolarHBondContact O-CG1 3.12Å; T95-I99 PolarHBondContact O-N 2.92Å; S96-I99 PolarHBondContact O-N 3.15Å; I99-G102 PolarHBondContact O-N 2.81Å; I99-E103 WeakPolarHBondContact O-CB 3.5Å; I99-E103 PolarHBondContact O-N 2.82Å; I99-V445 HydrophobicContact CG2-CG1 3.89Å; I99-V445 HydrophobicContact CG2-CG2 4.05Å; I99-I446 HydrophobicContact CB-CD1 4.49Å; I99-I446 HydrophobicContact CG2-CD1 4.28Å
100L95.8Very high92Very high0 Ų014.2 Ų14.20%08%0.08CC..Hα-helixtrans-64.4-46.3178.5-75.8172.1000112S96 V97 G102 E103 M104 L443 V445 I446 Y505 A508S96-L100 WeakPolarHBondContact O-CB 3.1Å; S96-L100 VanDerWaalsContact O-CG 3.31Å; S96-L100 WeakPolarHBondContact O-CG 3.4Å; S96-L100 PolarHBondContact O-N 3.45Å; V97-L100 PolarHBondContact O-N 2.78Å; L100-G102 VanDerWaalsContact C-N 3.32Å; L100-G102 PolarHBondContact O-N 3.08Å; L100-E103 PolarHBondContact O-N 3.19Å; L100-M104 WeakPolarHBondContact O-CB 3.41Å; L100-M104 VanDerWaalsContact O-CG 3.26Å; L100-M104 WeakPolarHBondContact O-CG 3.34Å; L100-M104 PolarHBondContact O-N 2.87Å; L100-L443 HydrophobicContact CD2-CD2 4.14Å; L100-V445 HydrophobicContact CD2-CG1 3.93Å; L100-I446 HydrophobicContact CD1-CG1 4.34Å; L100-I446 HydrophobicContact CD2-CD1 4.31Å; L100-I446 HydrophobicContact CD2-CG1 3.77Å; L100-I446 HydrophobicContact CG-CD1 4.03Å; L100-I446 HydrophobicContact CG-CG1 3.97Å; L100-Y505 HydrophobicContact CD1-CD1 3.95Å; L100-Y505 HydrophobicContact CD1-CE1 3.94Å; L100-A508 HydrophobicContact CB-CB 3.77Å
101A95.6Very high92.3Very high0 Ų014.1 Ų14.10%08%0.079CC..Hα-helixtrans-60.6-42.8177.300000111.6M79 V97 L105 A508 T511M79-A101 HydrophobicContact CE-CB 3.83Å; M79-A101 HydrophobicContact SD-CB 4.15Å; V97-A101 VanDerWaalsContact O-CB 3.25Å; V97-A101 WeakPolarHBondContact O-CB 3.31Å; V97-A101 PolarHBondContact O-N 3.01Å; A101-L105 WeakPolarHBondContact O-CB 3.44Å; A101-L105 VanDerWaalsContact O-CG 3.32Å; A101-L105 WeakPolarHBondContact O-CG 3.48Å; A101-L105 PolarHBondContact O-N 3.16Å; A101-L105 VanDerWaalsContact O-N 3.09Å; A101-A508 HydrophobicContact CB-CB 4.28Å; A101-T511 HydrophobicContact CB-CG2 4.05Å
102G95.3Very high92.8Very high2 Ų214.4 Ų14.42%0.0218%0.079CC..Hα-helixtrans-62.8-42.8175.800000112.9I98 I99 L100 L105 A106I98-G102 PolarHBondContact O-N 3.13Å; I99-G102 PolarHBondContact O-N 2.81Å; L100-G102 VanDerWaalsContact C-N 3.32Å; L100-G102 PolarHBondContact O-N 3.08Å; G102-L105 PolarHBondContact O-N 2.82Å; G102-A106 WeakPolarHBondContact O-CB 3.5Å; G102-A106 PolarHBondContact O-N 3.25Å
103E95.4Very high93.1Very high32 Ų3218.8 Ų18.815%0.1510%0.099CC..Hα-helixtrans-69-43177.9-168.574.7-177.700111.8I99 L100 L105 A106 V107 A442 V445 R448I99-E103 WeakPolarHBondContact O-CB 3.5Å; I99-E103 PolarHBondContact O-N 2.82Å; L100-E103 PolarHBondContact O-N 3.19Å; E103-L105 VanDerWaalsContact C-N 3.27Å; E103-L105 PolarHBondContact O-N 3.46Å; E103-A106 WeakPolarHBondContact O-CB 3.14Å; E103-A106 PolarHBondContact O-N 2.86Å; E103-A106 VanDerWaalsContact O-N 3.1Å; E103-V107 HydrophobicContact CG-CG2 4.32Å; E103-V107 WeakPolarHBondContact O-CG2 3.38Å; E103-V107 PolarHBondContact O-N 3.36Å; E103-A442 HydrophobicContact CB-CB 4.45Å; E103-A442 HydrophobicContact CG-CB 3.93Å; E103-V445 HydrophobicContact CB-CB 4.15Å; E103-V445 HydrophobicContact CB-CG1 3.93Å; E103-V445 HydrophobicContact CB-CG2 4.25Å; E103-V445 HydrophobicContact CG-CB 3.82Å; E103-V445 HydrophobicContact CG-CG1 4.09Å; E103-V445 HydrophobicContact CG-CG2 4.07Å; E103-R448 IonicContact OE1-NH1 3.09Å
104M95.1Very high93.3Very high0 Ų024.4 Ų24.40%012%0.123CC..Hα-helixtrans-58-41.9176.3-73.4178.9-173.800111.3L100 A108 Y125 V439 A442 L443 A508 V509 A512L100-M104 WeakPolarHBondContact O-CB 3.41Å; L100-M104 VanDerWaalsContact O-CG 3.26Å; L100-M104 WeakPolarHBondContact O-CG 3.34Å; L100-M104 PolarHBondContact O-N 2.87Å; M104-A108 WeakPolarHBondContact O-CB 3.37Å; M104-A108 PolarHBondContact O-N 2.97Å; M104-Y125 HydrophobicContact CB-CE2 4.08Å; M104-Y125 PolarHBondContact O-OH 3.43Å; M104-V439 HydrophobicContact CE-CG1 4.26Å; M104-A442 HydrophobicContact CG-CB 4.04Å; M104-L443 HydrophobicContact CE-CD2 4.39Å; M104-A508 HydrophobicContact SD-CB 4.49Å; M104-V509 HydrophobicContact CE-CG2 3.64Å; M104-V509 HydrophobicContact SD-CB 4.35Å; M104-V509 HydrophobicContact SD-CG2 3.58Å; M104-V509 VanDerWaalsContact SD-CG2 3.58Å; M104-A512 HydrophobicContact CB-CB 4.04Å
105L94.6Very high93.2Very high0 Ų030.6 Ų30.60%015%0.151CC..Hα-helixtrans-66.5-40174.4-74.1168.7000112.7I26 A29 A101 G102 E103 A108 E109 A512 L515 L516I26-L105 HydrophobicContact CG1-CB 4.18Å; I26-L105 HydrophobicContact CG1-CD2 4.22Å; I26-L105 HydrophobicContact CG2-CB 4.2Å; I26-L105 WeakPolarHBondContact CG2-O 3.41Å; A29-L105 HydrophobicContact CB-CD1 3.52Å; A101-L105 WeakPolarHBondContact O-CB 3.44Å; A101-L105 VanDerWaalsContact O-CG 3.32Å; A101-L105 WeakPolarHBondContact O-CG 3.48Å; A101-L105 PolarHBondContact O-N 3.16Å; A101-L105 VanDerWaalsContact O-N 3.09Å; G102-L105 PolarHBondContact O-N 2.82Å; E103-L105 VanDerWaalsContact C-N 3.27Å; E103-L105 PolarHBondContact O-N 3.46Å; L105-A108 WeakPolarHBondContact O-CB 3.29Å; L105-A108 PolarHBondContact O-N 3.15Å; L105-E109 PolarHBondContact O-N 3.45Å; L105-A512 HydrophobicContact CD2-CB 4.14Å; L105-A512 HydrophobicContact CG-CB 4.06Å; L105-L515 HydrophobicContact CD1-CB 4.24Å; L105-L515 HydrophobicContact CD1-CD1 3.64Å; L105-L515 HydrophobicContact CD2-CB 4.15Å; L105-L516 HydrophobicContact CD2-CD1 4.45Å; L105-L516 HydrophobicContact CD2-CD2 4.08Å; L105-L516 HydrophobicContact CD2-CG 3.79Å
106A94.8Very high93.2Very high22 Ų2231.2 Ų31.218%0.18215%0.154CC..Hα-helixtrans-64-42.2177.200000111.9G102 E103 A108 E109G102-A106 WeakPolarHBondContact O-CB 3.5Å; G102-A106 PolarHBondContact O-N 3.25Å; E103-A106 WeakPolarHBondContact O-CB 3.14Å; E103-A106 PolarHBondContact O-N 2.86Å; E103-A106 VanDerWaalsContact O-N 3.1Å; A106-A108 VanDerWaalsContact C-N 3.27Å; A106-A108 PolarHBondContact O-N 2.69Å; A106-E109 WeakPolarHBondContact O-CB 3.41Å; A106-E109 PolarHBondContact O-N 3.43Å
107V94.1Very high93.1Very high20 Ų2036.4 Ų36.412%0.12118%0.176CC..Hα-helixtrans-73-22.8177.5-173.80000111.4E103 E109 Q110 F111 A438 A442E103-V107 HydrophobicContact CG-CG2 4.32Å; E103-V107 WeakPolarHBondContact O-CG2 3.38Å; E103-V107 PolarHBondContact O-N 3.36Å; V107-E109 VanDerWaalsContact C-N 3.34Å; V107-Q110 VanDerWaalsContact CG1-NE2 3.34Å; V107-Q110 WeakPolarHBondContact O-CG 3.33Å; V107-Q110 PolarHBondContact O-NE2 3.5Å; V107-F111 WeakPolarHBondContact O-CE2 3.47Å; V107-A438 HydrophobicContact CB-CB 4.45Å; V107-A438 HydrophobicContact CG1-CB 3.3Å; V107-A442 HydrophobicContact CG2-CB 4.26Å
108A92.8Very high93Very high0 Ų037.3 Ų37.30%018%0.182CC..Hα-helixtrans-70.6-27172.800000113.4M104 L105 A106 Q110 F111 L112 I121 L516M104-A108 WeakPolarHBondContact O-CB 3.37Å; M104-A108 PolarHBondContact O-N 2.97Å; L105-A108 WeakPolarHBondContact O-CB 3.29Å; L105-A108 PolarHBondContact O-N 3.15Å; A106-A108 VanDerWaalsContact C-N 3.27Å; A106-A108 PolarHBondContact O-N 2.69Å; A108-Q110 VanDerWaalsContact C-N 3.34Å; A108-Q110 PolarHBondContact O-N 2.89Å; A108-F111 WeakPolarHBondContact O-CB 3.37Å; A108-F111 PolarHBondContact O-N 2.8Å; A108-F111 VanDerWaalsContact O-N 3.08Å; A108-L112 PolarHBondContact O-N 2.93Å; A108-I121 HydrophobicContact CB-CG2 4.34Å; A108-L516 HydrophobicContact CB-CD1 4.11Å; A108-L516 HydrophobicContact CB-CD2 4.04Å
109E91.8Very high92.8Very high40 Ų4041.4 Ų41.419%0.18721%0.207CC..Hα-helixtrans-55.8-45.1-176.2-171.1171.7-15800112.5I26 L105 A106 V107 F111 L112 E113I26-E109 HydrophobicContact CD1-CB 4.26Å; L105-E109 PolarHBondContact O-N 3.45Å; A106-E109 WeakPolarHBondContact O-CB 3.41Å; A106-E109 PolarHBondContact O-N 3.43Å; V107-E109 VanDerWaalsContact C-N 3.34Å; E109-F111 PolarHBondContact O-N 3.1Å; E109-F111 VanDerWaalsContact O-N 3.13Å; E109-L112 WeakPolarHBondContact O-CB 3.28Å; E109-L112 PolarHBondContact O-N 2.97Å; E109-E113 PolarHBondContact O-N 3.12Å
110Q92.6Very high92.8Very high79 Ų7943.4 Ų43.437%0.36922%0.219SC..Hα-helixtrans-57.5-32.5179.575.9-169.7-44.200112.8V107 A108 Q114V107-Q110 VanDerWaalsContact CG1-NE2 3.34Å; V107-Q110 WeakPolarHBondContact O-CG 3.33Å; V107-Q110 PolarHBondContact O-NE2 3.5Å; A108-Q110 VanDerWaalsContact C-N 3.34Å; A108-Q110 PolarHBondContact O-N 2.89Å; Q110-Q114 VanDerWaalsContact O-CG 3.28Å; Q110-Q114 WeakPolarHBondContact O-CG 3.46Å; Q110-Q114 PolarHBondContact O-N 2.99Å; Q110-Q114 VanDerWaalsContact O-N 3.12Å
111F92Very high92.7Very high10 Ų1043.4 Ų43.44%0.04422%0.219CC..Hα-helixtrans-79.7-32.7-178.8-61.4-48.9000111.9V107 A108 E109 E113 Q114 Q115 M116 I121 W434 P435 A438V107-F111 WeakPolarHBondContact O-CE2 3.47Å; A108-F111 WeakPolarHBondContact O-CB 3.37Å; A108-F111 PolarHBondContact O-N 2.8Å; A108-F111 VanDerWaalsContact O-N 3.08Å; E109-F111 PolarHBondContact O-N 3.1Å; E109-F111 VanDerWaalsContact O-N 3.13Å; F111-E113 VanDerWaalsContact C-N 3.33Å; F111-Q114 PolarHBondContact O-N 3.48Å; F111-Q115 PolarHBondContact O-N 2.88Å; F111-M116 HydrophobicContact CB-CE 3.4Å; F111-M116 VanDerWaalsContact CB-CE 3.4Å; F111-M116 HydrophobicContact CD1-CE 3.2Å; F111-M116 HydrophobicContact CD2-CE 4.43Å; F111-M116 HydrophobicContact CE1-CE 4.09Å; F111-M116 HydrophobicContact CG-CE 3.41Å; F111-M116 VanDerWaalsContact CG-CE 3.41Å; F111-M116 WeakPolarHBondContact O-CB 3.3Å; F111-M116 PolarHBondContact O-N 2.94Å; F111-I121 HydrophobicContact CB-CD1 3.71Å; F111-I121 HydrophobicContact CB-CG1 4.29Å; F111-W434 HydrophobicContact CE1-CB 3.68Å; F111-W434 HydrophobicContact CZ-CB 4.09Å; F111-W434 WeakPolarHBondContact CZ-O 3.26Å; F111-P435 HydrophobicContact CD2-CB 4.32Å; F111-P435 HydrophobicContact CD2-CG 4.17Å; F111-P435 HydrophobicContact CE2-CB 4.25Å; F111-P435 HydrophobicContact CE2-CG 4.33Å; F111-P435 HydrophobicContact CG-CG 4.35Å; F111-A438 HydrophobicContact CE2-CB 3.41Å; F111-A438 VanDerWaalsContact CE2-CB 3.41Å; F111-A438 HydrophobicContact CZ-CB 3.64Å
112L89.6Confident92.6Very high8 Ų844 Ų444%0.04222%0.222CC..Hα-helixtrans-67.2-36.7171.7-63.6175.3000111R19 Q22 I26 A108 E109 Q115 P118 I121 L516R19-L112 PolarHBondContact NH1-O 2.83Å; Q22-L112 HydrophobicContact CB-CD1 4.27Å; I26-L112 HydrophobicContact CD1-CD1 3.64Å; A108-L112 PolarHBondContact O-N 2.93Å; E109-L112 WeakPolarHBondContact O-CB 3.28Å; E109-L112 PolarHBondContact O-N 2.97Å; L112-Q115 PolarHBondContact O-N 2.69Å; L112-P118 HydrophobicContact CD2-CG 3.97Å; L112-I121 HydrophobicContact CD2-CD1 3.8Å; L112-I121 HydrophobicContact CG-CD1 4.15Å; L112-L516 HydrophobicContact CD1-CD2 4.02Å
113E89.8Confident92.5Very high137 Ų13746.1 Ų46.164%0.6424%0.237SC*.Hα-helixtrans-63.2-41.5172.3-69.2-177.3163.400111.8E109 F111 Q115E109-E113 PolarHBondContact O-N 3.12Å; F111-E113 VanDerWaalsContact C-N 3.33Å; E113-Q115 PolarHBondContact O-N 3.5Å
114Q90Very high92.5Very high124 Ų12444.6 Ų44.658%0.57923%0.23SC*.THydrogen-bonded Turntrans-70.18.6174.5-71.1175.45.300114.6Q110 F111 M116Q110-Q114 VanDerWaalsContact O-CG 3.28Å; Q110-Q114 WeakPolarHBondContact O-CG 3.46Å; Q110-Q114 PolarHBondContact O-N 2.99Å; Q110-Q114 VanDerWaalsContact O-N 3.12Å; F111-Q114 PolarHBondContact O-N 3.48Å; Q114-M116 VanDerWaalsContact C-N 3.28Å; Q114-M116 PolarHBondContact O-N 2.62Å
115Q87.8Confident92.5Very high135 Ų13544.6 Ų44.663%0.63123%0.23SC*.THydrogen-bonded Turntrans67.720.1177.6-49.3-80.3-29.200114.7R19 F111 L112 E113R19-Q115 VanDerWaalsContact NH1-OE1 3.07Å; R19-Q115 VanDerWaalsContact NH2-CD 3.33Å; F111-Q115 PolarHBondContact O-N 2.88Å; L112-Q115 PolarHBondContact O-N 2.69Å; E113-Q115 PolarHBondContact O-N 3.5Å
116M91.3Very high92.6Very high31 Ų3150.6 Ų50.615%0.15325%0.252CS..  trans-72.6137.3171.8-68.9-154.5-71.800111.1F111 Q114 V431 P435F111-M116 HydrophobicContact CB-CE 3.4Å; F111-M116 VanDerWaalsContact CB-CE 3.4Å; F111-M116 HydrophobicContact CD1-CE 3.2Å; F111-M116 HydrophobicContact CD2-CE 4.43Å; F111-M116 HydrophobicContact CE1-CE 4.09Å; F111-M116 HydrophobicContact CG-CE 3.41Å; F111-M116 VanDerWaalsContact CG-CE 3.41Å; F111-M116 WeakPolarHBondContact O-CB 3.3Å; F111-M116 PolarHBondContact O-N 2.94Å; Q114-M116 VanDerWaalsContact C-N 3.28Å; Q114-M116 PolarHBondContact O-N 2.62Å; M116-V431 HydrophobicContact SD-CB 4.48Å; M116-P435 HydrophobicContact CE-CG 3.74Å
117H91.5Very high92.5Very high124 Ų12452.5 Ų52.557%0.57426%0.257SS*.  trans-69.3133.7178.3-165.2-83.7000110.3T119 V120H117-T119 PolarHBondContact CE1-OG1 2.95Å; H117-T119 WeakPolarHBondContact ND1-CB 3.44Å; H117-T119 PolarHBondContact ND1-N 3.06Å; H117-T119 PolarHBondContact ND1-OG1 2.97Å; H117-T119 PolarHBondContact O-N 3.15Å; H117-V120 PolarHBondContact O-N 3.07Å
118P91.9Very high92.6Very high19 Ų1951.5 Ų51.512%0.12325%0.252CS..Hα-helixtrans-52.1-33.7-177.9-2731.3000114.2Q22 L112 V120 I121 I122Q22-P118 VanDerWaalsContact NE2-CG 3.33Å; L112-P118 HydrophobicContact CD2-CG 3.97Å; P118-V120 VanDerWaalsContact C-N 3.27Å; P118-V120 PolarHBondContact O-N 3.33Å; P118-I121 WeakPolarHBondContact O-CB 3.48Å; P118-I121 PolarHBondContact O-N 3.12Å; P118-I121 VanDerWaalsContact O-N 3.12Å; P118-I122 HydrophobicContact CB-CD1 4.47Å; P118-I122 WeakPolarHBondContact O-CB 3.39Å; P118-I122 VanDerWaalsContact O-CG1 3.24Å; P118-I122 WeakPolarHBondContact O-CG1 3.42Å; P118-I122 PolarHBondContact O-N 3.39Å
119T92.5Very high92.7Very high86 Ų8652.3 Ų52.353%0.52826%0.256SS..Hα-helixtrans-55.7-37.7176.3-49.20000113.6H117 I122 S123H117-T119 PolarHBondContact CE1-OG1 2.95Å; H117-T119 WeakPolarHBondContact ND1-CB 3.44Å; H117-T119 PolarHBondContact ND1-N 3.06Å; H117-T119 PolarHBondContact ND1-OG1 2.97Å; H117-T119 PolarHBondContact O-N 3.15Å; T119-I122 PolarHBondContact O-N 2.84Å; T119-S123 PolarHBondContact O-N 3.23Å; T119-S123 PolarHBondContact O-OG 3.21Å
120V93.5Very high92.9Very high43 Ų4356.7 Ų56.726%0.26128%0.276SS..Hα-helixtrans-71.3-36.8179.1-1790000110.8H117 P118 S123 A124 V431 E432H117-V120 PolarHBondContact O-N 3.07Å; P118-V120 VanDerWaalsContact C-N 3.27Å; P118-V120 PolarHBondContact O-N 3.33Å; V120-S123 PolarHBondContact O-OG 3.12Å; V120-A124 WeakPolarHBondContact O-CB 3.39Å; V120-A124 PolarHBondContact O-N 2.91Å; V120-V431 HydrophobicContact CG1-CG2 3.99Å; V120-E432 HydrophobicContact CG1-CB 4.39Å
121I94.3Very high93Very high0 Ų053.9 Ų53.90%026%0.264CS..Hα-helixtrans-66.3-44.8174.6-57173.2000109.3A108 F111 L112 P118 S123 A124 Y125 P435 L516A108-I121 HydrophobicContact CB-CG2 4.34Å; F111-I121 HydrophobicContact CB-CD1 3.71Å; F111-I121 HydrophobicContact CB-CG1 4.29Å; L112-I121 HydrophobicContact CD2-CD1 3.8Å; L112-I121 HydrophobicContact CG-CD1 4.15Å; P118-I121 WeakPolarHBondContact O-CB 3.48Å; P118-I121 PolarHBondContact O-N 3.12Å; P118-I121 VanDerWaalsContact O-N 3.12Å; I121-S123 PolarHBondContact O-N 3.06Å; I121-A124 PolarHBondContact O-N 3.29Å; I121-Y125 HydrophobicContact CG2-CD1 4.02Å; I121-Y125 HydrophobicContact CG2-CE1 3.73Å; I121-Y125 WeakPolarHBondContact O-CB 3.41Å; I121-Y125 WeakPolarHBondContact O-CD1 3.39Å; I121-Y125 PolarHBondContact O-N 3.05Å; I121-P435 HydrophobicContact CG1-CG 4.18Å; I121-P435 HydrophobicContact CG2-CB 4.25Å; I121-L516 HydrophobicContact CG2-CD1 3.88Å
122I94.1Very high93.2Very high11 Ų1153.4 Ų53.46%0.05626%0.262CS..Hα-helixtrans-62.8-42.5179.5-69.9165.1000111.6P118 T119 Y125 R126 I513 L516 R517P118-I122 HydrophobicContact CB-CD1 4.47Å; P118-I122 WeakPolarHBondContact O-CB 3.39Å; P118-I122 VanDerWaalsContact O-CG1 3.24Å; P118-I122 WeakPolarHBondContact O-CG1 3.42Å; P118-I122 PolarHBondContact O-N 3.39Å; T119-I122 PolarHBondContact O-N 2.84Å; I122-Y125 PolarHBondContact O-N 2.93Å; I122-R126 WeakPolarHBondContact O-CG 3.44Å; I122-R126 PolarHBondContact O-N 3.48Å; I122-I513 HydrophobicContact CB-CG2 4.42Å; I122-I513 HydrophobicContact CD1-CG2 4.48Å; I122-I513 HydrophobicContact CG1-CG1 4.49Å; I122-I513 HydrophobicContact CG1-CG2 4.14Å; I122-I513 HydrophobicContact CG2-CB 4.42Å; I122-I513 HydrophobicContact CG2-CG1 4.16Å; I122-I513 HydrophobicContact CG2-CG2 3.54Å; I122-L516 HydrophobicContact CD1-CB 4.36Å; I122-L516 HydrophobicContact CG1-CB 4.32Å; I122-R517 HydrophobicContact CD1-CB 4.32Å
123S93.6Very high93.4Very high48 Ų4854.8 Ų54.834%0.33627%0.269SS..Hα-helixtrans-63.3-45.2177.6600000111.3T119 V120 I121 Y125 R126 Q127T119-S123 PolarHBondContact O-N 3.23Å; T119-S123 PolarHBondContact O-OG 3.21Å; V120-S123 PolarHBondContact O-OG 3.12Å; I121-S123 PolarHBondContact O-N 3.06Å; S123-Y125 VanDerWaalsContact C-N 3.33Å; S123-Y125 PolarHBondContact O-N 3.27Å; S123-R126 PolarHBondContact O-N 3.49Å; S123-Q127 PolarHBondContact O-N 2.81Å
124A94.6Very high93.6Very high0 Ų052.8 Ų52.80%026%0.26CS..Hα-helixtrans-61.2-39.7176.500000112.6V120 I121 Q127 A128 E432 P435V120-A124 WeakPolarHBondContact O-CB 3.39Å; V120-A124 PolarHBondContact O-N 2.91Å; I121-A124 PolarHBondContact O-N 3.29Å; A124-Q127 PolarHBondContact O-N 3.4Å; A124-A128 WeakPolarHBondContact O-CB 3.27Å; A124-A128 PolarHBondContact O-N 3.44Å; A124-E432 HydrophobicContact CB-CB 4.13Å; A124-P435 HydrophobicContact CB-CB 3.78Å
125Y95.9Very high93.7Very high0 Ų047.1 Ų47.10%023%0.234CC..Hα-helixtrans-68-37.9179.2-8332.6000111.7M104 I121 I122 S123 A128 L129 P435 V439 A512 L516M104-Y125 HydrophobicContact CB-CE2 4.08Å; M104-Y125 PolarHBondContact O-OH 3.43Å; I121-Y125 HydrophobicContact CG2-CD1 4.02Å; I121-Y125 HydrophobicContact CG2-CE1 3.73Å; I121-Y125 WeakPolarHBondContact O-CB 3.41Å; I121-Y125 WeakPolarHBondContact O-CD1 3.39Å; I121-Y125 PolarHBondContact O-N 3.05Å; I122-Y125 PolarHBondContact O-N 2.93Å; S123-Y125 VanDerWaalsContact C-N 3.33Å; S123-Y125 PolarHBondContact O-N 3.27Å; Y125-A128 PolarHBondContact O-N 3.08Å; Y125-L129 PolarHBondContact O-N 2.97Å; Y125-P435 HydrophobicContact CD1-CB 4.4Å; Y125-P435 HydrophobicContact CE1-CB 4.07Å; Y125-P435 WeakPolarHBondContact CE1-O 3.49Å; Y125-V439 HydrophobicContact CD1-CG2 3.45Å; Y125-V439 VanDerWaalsContact CD1-CG2 3.45Å; Y125-V439 HydrophobicContact CD2-CG2 4.27Å; Y125-V439 HydrophobicContact CE1-CG2 3.4Å; Y125-V439 HydrophobicContact CE2-CG2 4.24Å; Y125-V439 HydrophobicContact CG-CG2 3.89Å; Y125-A512 HydrophobicContact CD2-CB 4.36Å; Y125-A512 HydrophobicContact CE2-CB 4.31Å; Y125-L516 HydrophobicContact CE2-CD1 4.44Å
126R95.4Very high93.9Very high125 Ų12540.8 Ų40.847%0.47220%0.204SC..Hα-helixtrans-64.1-46174.2-74.3177.5173.3177.1-10.2111.9I122 S123 A128 L129 E130 I513I122-R126 WeakPolarHBondContact O-CG 3.44Å; I122-R126 PolarHBondContact O-N 3.48Å; S123-R126 PolarHBondContact O-N 3.49Å; R126-A128 VanDerWaalsContact C-N 3.33Å; R126-A128 PolarHBondContact O-N 3.26Å; R126-L129 WeakPolarHBondContact O-CB 3.48Å; R126-L129 PolarHBondContact O-N 3.08Å; R126-L129 VanDerWaalsContact O-N 3.14Å; R126-E130 PolarHBondContact O-N 2.86Å; R126-E130 VanDerWaalsContact O-N 3.16Å; R126-I513 HydrophobicContact CG-CD1 3.55Å
127Q94.1Very high93.9Very high62 Ų6246.3 Ų46.329%0.2923%0.227SC..Hα-helixtrans-62-43.5176.8-172.3179.45.700111.3S123 A124 L129 E130 D131 Y436S123-Q127 PolarHBondContact O-N 2.81Å; A124-Q127 PolarHBondContact O-N 3.4Å; Q127-L129 VanDerWaalsContact C-N 3.28Å; Q127-L129 PolarHBondContact O-N 3.09Å; Q127-E130 PolarHBondContact O-N 3.34Å; Q127-D131 PolarHBondContact O-N 2.95Å; Q127-Y436 HydrophobicContact CG-CE2 4.34Å
128A95.4Very high93.8Very high0 Ų046.2 Ų46.20%023%0.227CC..Hα-helixtrans-59.1-39.8174.200000111.8A124 Y125 R126 D131 M132 Y436 V439A124-A128 WeakPolarHBondContact O-CB 3.27Å; A124-A128 PolarHBondContact O-N 3.44Å; Y125-A128 PolarHBondContact O-N 3.08Å; R126-A128 VanDerWaalsContact C-N 3.33Å; R126-A128 PolarHBondContact O-N 3.26Å; A128-D131 PolarHBondContact O-N 2.8Å; A128-M132 HydrophobicContact CB-CE 4.42Å; A128-M132 WeakPolarHBondContact O-CB 3.39Å; A128-M132 WeakPolarHBondContact O-CG 3.35Å; A128-M132 PolarHBondContact O-N 2.96Å; A128-Y436 HydrophobicContact CB-CD2 3.74Å; A128-Y436 HydrophobicContact CB-CE2 3.82Å; A128-Y436 HydrophobicContact CB-CG 4.48Å; A128-V439 HydrophobicContact CB-CB 4.19Å; A128-V439 HydrophobicContact CB-CG1 4.08Å; A128-V439 HydrophobicContact CB-CG2 4.26Å
129L95.9Very high93.6Very high17 Ų1747 Ų479%0.08923%0.231CC..Hα-helixtrans-62.5-43.6178.5178.363.1000113.1Y125 R126 Q127 M132 L133 K506 V509Y125-L129 PolarHBondContact O-N 2.97Å; R126-L129 WeakPolarHBondContact O-CB 3.48Å; R126-L129 PolarHBondContact O-N 3.08Å; R126-L129 VanDerWaalsContact O-N 3.14Å; Q127-L129 VanDerWaalsContact C-N 3.28Å; Q127-L129 PolarHBondContact O-N 3.09Å; L129-M132 HydrophobicContact CB-CE 4.17Å; L129-M132 HydrophobicContact CD1-CE 4.18Å; L129-M132 WeakPolarHBondContact O-CB 3.38Å; L129-M132 PolarHBondContact O-N 3.05Å; L129-L133 HydrophobicContact CD1-CD1 4.37Å; L129-L133 HydrophobicContact CD1-CG 4.32Å; L129-L133 HydrophobicContact CG-CD1 4.34Å; L129-L133 WeakPolarHBondContact O-CG 3.44Å; L129-L133 PolarHBondContact O-N 3.35Å; L129-K506 HydrophobicContact CD1-CG 4.21Å; L129-V509 HydrophobicContact CB-CB 4.4Å; L129-V509 HydrophobicContact CB-CG1 4.05Å; L129-V509 HydrophobicContact CB-CG2 4.42Å; L129-V509 HydrophobicContact CD1-CB 4.26Å; L129-V509 HydrophobicContact CD1-CG2 4.11Å; L129-V509 HydrophobicContact CD2-CB 4.21Å; L129-V509 HydrophobicContact CD2-CG1 4.23Å
130E95.4Very high93.5Very high131 Ų13144 Ų4461%0.61221%0.213SC*.Hα-helixtrans-60.2-48.2176.5-69.4175.5-175.200110.5R126 Q127 M132 L133 E134R126-E130 PolarHBondContact O-N 2.86Å; R126-E130 VanDerWaalsContact O-N 3.16Å; Q127-E130 PolarHBondContact O-N 3.34Å; E130-M132 VanDerWaalsContact C-N 3.32Å; E130-M132 PolarHBondContact O-N 3.35Å; E130-L133 PolarHBondContact O-N 3.03Å; E130-L133 VanDerWaalsContact O-N 3.16Å; E130-E134 PolarHBondContact O-N 3.29Å; E130-E134 VanDerWaalsContact O-N 3.08Å
131D94.9Very high93.3Very high21 Ų2144.5 Ų44.511%0.11222%0.217CC..Hα-helixtrans-61.7-37.1177.2-68.1-21.2000112.9Q127 A128 T135 L421 R424 Y436Q127-D131 PolarHBondContact O-N 2.95Å; A128-D131 PolarHBondContact O-N 2.8Å; D131-T135 PolarHBondContact O-N 3.46Å; D131-T135 VanDerWaalsContact O-N 3.07Å; D131-T135 PolarHBondContact O-OG1 3.28Å; D131-L421 HydrophobicContact CB-CD2 3.77Å; D131-R424 IonicContact OD1-CZ 3.07Å; D131-R424 IonicContact OD1-NH1 2.81Å; D131-R424 PolarHBondContact OD1-NH1 2.86Å; D131-R424 IonicContact OD2-NH1 2.74Å; D131-Y436 VanDerWaalsContact OD2-CE2 3.29Å; D131-Y436 WeakPolarHBondContact OD2-CE2 3.41Å; D131-Y436 VanDerWaalsContact OD2-CZ 3.3Å; D131-Y436 PolarHBondContact OD2-OH 3.48Å
132M94.9Very high93.1Very high0 Ų049.3 Ų49.30%025%0.248CC..Hα-helixtrans-62.9-43.6175.1-75.9-170.7-7700111.4A128 L129 E130 T135 L136 V417 L421 V439 L443 Y505 V509A128-M132 HydrophobicContact CB-CE 4.42Å; A128-M132 WeakPolarHBondContact O-CB 3.39Å; A128-M132 WeakPolarHBondContact O-CG 3.35Å; A128-M132 PolarHBondContact O-N 2.96Å; L129-M132 HydrophobicContact CB-CE 4.17Å; L129-M132 HydrophobicContact CD1-CE 4.18Å; L129-M132 WeakPolarHBondContact O-CB 3.38Å; L129-M132 PolarHBondContact O-N 3.05Å; E130-M132 VanDerWaalsContact C-N 3.32Å; E130-M132 PolarHBondContact O-N 3.35Å; M132-T135 WeakPolarHBondContact CA-OG1 3.41Å; M132-T135 PolarHBondContact O-N 3.2Å; M132-T135 PolarHBondContact O-OG1 3.33Å; M132-L136 VanDerWaalsContact O-CG 3.29Å; M132-L136 WeakPolarHBondContact O-CG 3.46Å; M132-L136 PolarHBondContact O-N 3.44Å; M132-V417 HydrophobicContact CB-CG1 4.11Å; M132-V417 HydrophobicContact CG-CG1 3.54Å; M132-V417 HydrophobicContact SD-CG1 4.25Å; M132-L421 HydrophobicContact CG-CD1 3.68Å; M132-L421 HydrophobicContact CG-CD2 4.17Å; M132-L421 HydrophobicContact CG-CG 4.28Å; M132-L421 HydrophobicContact SD-CD1 4.05Å; M132-V439 HydrophobicContact CE-CG1 3.79Å; M132-V439 HydrophobicContact SD-CG1 4.12Å; M132-L443 HydrophobicContact SD-CD1 3.9Å; M132-L443 HydrophobicContact SD-CD2 4.12Å; M132-L443 HydrophobicContact SD-CG 4.42Å; M132-Y505 HydrophobicContact CB-CD2 4.14Å; M132-Y505 HydrophobicContact SD-CD2 4.2Å; M132-V509 HydrophobicContact CE-CG2 3.57Å
133L94.8Very high92.8Very high37 Ų3749.5 Ų49.519%0.19425%0.25CC..Hα-helixtrans-69.8-34-179.4-67.7173.4000112.3L129 E130 L136 K137 A502 K506L129-L133 HydrophobicContact CD1-CD1 4.37Å; L129-L133 HydrophobicContact CD1-CG 4.32Å; L129-L133 HydrophobicContact CG-CD1 4.34Å; L129-L133 WeakPolarHBondContact O-CG 3.44Å; L129-L133 PolarHBondContact O-N 3.35Å; E130-L133 PolarHBondContact O-N 3.03Å; E130-L133 VanDerWaalsContact O-N 3.16Å; L133-L136 HydrophobicContact CD2-CD1 4.33Å; L133-K137 PolarHBondContact O-N 3.34Å; L133-A502 HydrophobicContact CD2-CB 3.97Å; L133-K506 HydrophobicContact CD1-CD 4.35Å; L133-K506 VanDerWaalsContact CD1-CE 3.44Å; L133-K506 HydrophobicContact CD1-CG 4.01Å; L133-K506 HydrophobicContact CD2-CG 4.17Å
134E94.2Very high92.4Very high95 Ų9551.6 Ų51.644%0.44426%0.257SS..Hα-helixtrans-63.1-49.8171.6-70.4-180170.600111.3E130 L136 K137 E138 R424E130-E134 PolarHBondContact O-N 3.29Å; E130-E134 VanDerWaalsContact O-N 3.08Å; E134-L136 VanDerWaalsContact C-N 3.31Å; E134-L136 PolarHBondContact O-N 3.32Å; E134-K137 WeakPolarHBondContact O-CB 3.26Å; E134-K137 PolarHBondContact O-N 3.04Å; E134-K137 VanDerWaalsContact O-N 3.1Å; E134-E138 PolarHBondContact O-N 2.76Å; E134-E138 VanDerWaalsContact O-N 3.14Å; E134-R424 IonicContact OE2-CZ 2.77Å; E134-R424 IonicContact OE2-NH1 3.95Å; E134-R424 PolarHBondContact OE2-NH1 3.28Å; E134-R424 IonicContact OE2-NH2 3.31Å; E134-R424 PolarHBondContact OE2-NH2 3.44Å; E134-R424 VanDerWaalsContact OE2-NH2 3.16Å
135T92.1Very high91.7Very high5 Ų553.2 Ų53.23%0.03127%0.267CS..Hα-helixtrans-62.6-37-180240000113.2D131 M132 K137 E138 V139 R420D131-T135 PolarHBondContact O-N 3.46Å; D131-T135 VanDerWaalsContact O-N 3.07Å; D131-T135 PolarHBondContact O-OG1 3.28Å; M132-T135 WeakPolarHBondContact CA-OG1 3.41Å; M132-T135 PolarHBondContact O-N 3.2Å; M132-T135 PolarHBondContact O-OG1 3.33Å; T135-K137 VanDerWaalsContact C-N 3.26Å; T135-K137 PolarHBondContact O-N 3.17Å; T135-E138 PolarHBondContact O-N 3.07Å; T135-V139 WeakPolarHBondContact O-CG2 3.49Å; T135-V139 PolarHBondContact O-N 3.27Å; T135-R420 HydrophobicContact CG2-CB 3.67Å; T135-R420 HydrophobicContact CG2-CG 3.42Å; T135-R420 VanDerWaalsContact CG2-CG 3.42Å
136L92.6Very high91.1Very high1 Ų157.2 Ų57.21%0.00530%0.295CS..Hα-helixtrans-59.7-38.2175.2-75.4177.1000112.1M132 L133 E134 S140 L407 V413 V417 L498 K501 A502 Y505M132-L136 VanDerWaalsContact O-CG 3.29Å; M132-L136 WeakPolarHBondContact O-CG 3.46Å; M132-L136 PolarHBondContact O-N 3.44Å; L133-L136 HydrophobicContact CD2-CD1 4.33Å; E134-L136 VanDerWaalsContact C-N 3.31Å; E134-L136 PolarHBondContact O-N 3.32Å; L136-S140 WeakPolarHBondContact O-CB 3.36Å; L136-S140 PolarHBondContact O-N 3.31Å; L136-L407 HydrophobicContact CD2-CD1 3.7Å; L136-V413 HydrophobicContact CD2-CG1 3.27Å; L136-V417 HydrophobicContact CD2-CG2 4.18Å; L136-L498 HydrophobicContact CB-CD1 3.78Å; L136-K501 HydrophobicContact CD1-CB 4.33Å; L136-K501 HydrophobicContact CD2-CB 4.3Å; L136-A502 HydrophobicContact CD1-CB 4.39Å; L136-Y505 HydrophobicContact CD1-CD2 3.59Å; L136-Y505 HydrophobicContact CD1-CE2 3.79Å; L136-Y505 HydrophobicContact CD2-CE2 3.91Å; L136-Y505 HydrophobicContact CG-CD2 4.27Å; L136-Y505 HydrophobicContact CG-CE2 4.04Å
137K90.1Very high90.7Very high147 Ų14754.5 Ų54.564%0.63929%0.29SS*.Hα-helixtrans-69.3-40.6176.6-67.8175.8-177.9178.40111.7L133 E134 T135 V139 S140L133-K137 PolarHBondContact O-N 3.34Å; E134-K137 WeakPolarHBondContact O-CB 3.26Å; E134-K137 PolarHBondContact O-N 3.04Å; E134-K137 VanDerWaalsContact O-N 3.1Å; T135-K137 VanDerWaalsContact C-N 3.26Å; T135-K137 PolarHBondContact O-N 3.17Å; K137-V139 VanDerWaalsContact C-N 3.33Å; K137-V139 PolarHBondContact O-N 2.97Å; K137-S140 PolarHBondContact O-N 3.47Å; K137-S140 PolarHBondContact O-OG 3.19Å
138E89.4Confident90.3Very high123 Ų12355.7 Ų55.758%0.57529%0.292SS*.Hα-helixtrans-62.7-37.6177.8-68.5177.3177.200112.7E134 T135 S140E134-E138 PolarHBondContact O-N 2.76Å; E134-E138 VanDerWaalsContact O-N 3.14Å; T135-E138 PolarHBondContact O-N 3.07Å; E138-S140 VanDerWaalsContact C-N 3.35Å
139V88.6Confident89.9Confident36 Ų3658.6 Ų58.622%0.21831%0.312CS..Hα-helixtrans-83.4-13.2-178.5175.70000112.5T135 K137 L407 V475T135-V139 WeakPolarHBondContact O-CG2 3.49Å; T135-V139 PolarHBondContact O-N 3.27Å; K137-V139 VanDerWaalsContact C-N 3.33Å; K137-V139 PolarHBondContact O-N 2.97Å; V139-L407 HydrophobicContact CB-CD2 4.06Å; V139-L407 HydrophobicContact CG1-CD2 3.88Å; V139-V475 HydrophobicContact CB-CG1 4.33Å; V139-V475 HydrophobicContact CG1-CG1 3.39Å; V139-V475 HydrophobicContact CG2-CG1 3.94Å
140S90.4Very high89.3Confident21 Ų2161 Ų6115%0.14732%0.324CS..  trans-71.9140.3-174.671.50000113.4L136 K137 E138 F405 L406L136-S140 WeakPolarHBondContact O-CB 3.36Å; L136-S140 PolarHBondContact O-N 3.31Å; K137-S140 PolarHBondContact O-N 3.47Å; K137-S140 PolarHBondContact O-OG 3.19Å; E138-S140 VanDerWaalsContact C-N 3.35Å; S140-F405 WeakPolarHBondContact OG-CD1 3.32Å; S140-L406 WeakPolarHBondContact CA-O 3.29Å
141T88.6Confident88.8Confident55 Ų5554.8 Ų54.834%0.33730%0.295SS..EExtended strand (participates in β ladder)trans-105.5126.7174.954.20000109.9L406 W495T141-L406 PolarHBondContact N-O 3.06Å; T141-L406 PolarHBondContact O-N 3.02Å; T141-L406 PolarHBondContact OG1-O 3.21Å; T141-W495 HydrophobicContact CG2-CZ3 4.38Å; T141-W495 WeakPolarHBondContact OG1-CZ3 3.4Å
142P90.5Very high88.4Confident100 Ų10056.2 Ų56.265%0.64930%0.302SS*.EExtended strand (participates in β ladder)trans-70.8150.3177.630.4-34.8000111.3P404 F405P142-P404 CarbonylContact C-O 3.59Å; P142-P404 WeakPolarHBondContact CA-O 3.41Å; P142-F405 HydrophobicContact CB-CD1 4.3Å; P142-F405 HydrophobicContact CB-CE1 4.09Å
143V86.6Confident87.9Confident15 Ų1562.9 Ų62.99%0.09133%0.331CS..  trans-130.2142.4-177169.90000111.8T145 M150 I154 P404 L406V143-T145 PolarHBondContact O-N 2.77Å; V143-M150 HydrophobicContact CB-CE 4.16Å; V143-M150 HydrophobicContact CG1-CE 3.81Å; V143-M150 HydrophobicContact CG1-CG 4.18Å; V143-M150 HydrophobicContact CG1-SD 3.76Å; V143-M150 HydrophobicContact CG2-CE 3.52Å; V143-I154 HydrophobicContact CG1-CD1 4Å; V143-P404 PolarHBondContact N-O 2.87Å; V143-P404 WeakPolarHBondContact O-CB 3.27Å; V143-L406 HydrophobicContact CB-CD1 4.49Å; V143-L406 HydrophobicContact CB-CG 4.44Å; V143-L406 HydrophobicContact CG2-CB 4.15Å; V143-L406 HydrophobicContact CG2-CD1 3.42Å; V143-L406 VanDerWaalsContact CG2-CD1 3.42Å; V143-L406 HydrophobicContact CG2-CG 3.5Å
144D85.3Confident87.4Confident92 Ų9261.3 Ų61.349%0.49232%0.322SS..  trans-81.6116.3170.8-171.22.3000110.4S146D144-S146 PolarHBondContact O-N 3.43Å; D144-S146 WeakPolarHBondContact OD1-CB 3.36Å; D144-S146 PolarHBondContact OD1-N 3.05Å; D144-S146 PolarHBondContact OD1-OG 3.28Å
145T80.8Confident86.9Confident35 Ų3556.8 Ų56.822%0.21530%0.302CS..SBendtrans-75.2-14.9179.450.80000113V143 R180 L401 P404V143-T145 PolarHBondContact O-N 2.77Å; T145-R180 PolarHBondContact O-NH2 3.37Å; T145-R180 VanDerWaalsContact O-NH2 3.12Å; T145-L401 HydrophobicContact CG2-CD2 4.2Å; T145-P404 HydrophobicContact CG2-CB 3.85Å
146S82.6Confident86.5Confident83 Ų8359.5 Ų59.558%0.5831%0.314SS*.SBendtrans-70.4-38.8178.9-39.50000111.3D144 R148 R180D144-S146 PolarHBondContact O-N 3.43Å; D144-S146 WeakPolarHBondContact OD1-CB 3.36Å; D144-S146 PolarHBondContact OD1-N 3.05Å; D144-S146 PolarHBondContact OD1-OG 3.28Å; S146-R148 PolarHBondContact O-N 3.02Å; S146-R148 VanDerWaalsContact O-N 3.16Å; S146-R180 PolarHBondContact O-NH2 2.92Å
147D86.5Confident86Confident68 Ų6860.3 Ų60.336%0.36432%0.319SS..  trans-72.7108.1-176-173.8-0.6000111.5S149 M150 M151D147-S149 VanDerWaalsContact C-N 3.26Å; D147-S149 VanDerWaalsContact CG-OG 3.3Å; D147-S149 PolarHBondContact O-N 3.41Å; D147-S149 WeakPolarHBondContact OD1-CB 3.14Å; D147-S149 PolarHBondContact OD1-N 3.15Å; D147-S149 PolarHBondContact OD1-OG 2.91Å; D147-S149 PolarHBondContact OD2-OG 3.42Å; D147-S149 VanDerWaalsContact OD2-OG 3.08Å; D147-M150 HydrophobicContact CB-CB 4.14Å; D147-M150 PolarHBondContact O-N 3.45Å; D147-M151 WeakPolarHBondContact O-CG 3.42Å; D147-M151 PolarHBondContact O-N 3.42Å; D147-M151 VanDerWaalsContact O-N 3.15Å
148R86.3Confident85.3Confident88 Ų8854 Ų5433%0.33230%0.295SS..Hα-helixtrans-60.7-36.9177.4-173.4177.9-179.989.5-7.7111.7S146 M151 L152 L176 D177S146-R148 PolarHBondContact O-N 3.02Å; S146-R148 VanDerWaalsContact O-N 3.16Å; R148-M151 PolarHBondContact O-N 3.31Å; R148-L152 HydrophobicContact CG-CD1 4.21Å; R148-L152 HydrophobicContact CG-CG 4.43Å; R148-L152 VanDerWaalsContact O-CG 3.29Å; R148-L152 WeakPolarHBondContact O-CG 3.36Å; R148-L152 PolarHBondContact O-N 3.34Å; R148-L176 HydrophobicContact CG-CD2 3.67Å; R148-D177 IonicContact CZ-OD1 2.86Å; R148-D177 VanDerWaalsContact CZ-OD1 3.24Å; R148-D177 IonicContact NH1-OD1 2.66Å; R148-D177 PolarHBondContact NH1-OD1 3.34Å; R148-D177 IonicContact NH2-OD1 2.81Å; R148-D177 PolarHBondContact NH2-OD1 2.95Å; R148-D177 IonicContact NH2-OD2 2.85Å; R148-D177 PolarHBondContact NH2-OD2 3.18Å
149S86.8Confident84.8Confident61 Ų6148.2 Ų48.243%0.42727%0.268SS..Hα-helixtrans-69.1-39.9-174.975.40000111.6D147 L152 K153D147-S149 VanDerWaalsContact C-N 3.26Å; D147-S149 VanDerWaalsContact CG-OG 3.3Å; D147-S149 PolarHBondContact O-N 3.41Å; D147-S149 WeakPolarHBondContact OD1-CB 3.14Å; D147-S149 PolarHBondContact OD1-N 3.15Å; D147-S149 PolarHBondContact OD1-OG 2.91Å; D147-S149 PolarHBondContact OD2-OG 3.42Å; D147-S149 VanDerWaalsContact OD2-OG 3.08Å; S149-L152 PolarHBondContact O-N 3.46Å; S149-K153 WeakPolarHBondContact O-CG 3.23Å; S149-K153 PolarHBondContact O-N 3.39Å
150M84.1Confident84.1Confident67 Ų6749.4 Ų49.433%0.3327%0.273SS..Hα-helixtrans-67.3-44.1175.3-166.8166.9-174.700111V143 D147 L152 K153 I154V143-M150 HydrophobicContact CB-CE 4.16Å; V143-M150 HydrophobicContact CG1-CE 3.81Å; V143-M150 HydrophobicContact CG1-CG 4.18Å; V143-M150 HydrophobicContact CG1-SD 3.76Å; V143-M150 HydrophobicContact CG2-CE 3.52Å; D147-M150 HydrophobicContact CB-CB 4.14Å; D147-M150 PolarHBondContact O-N 3.45Å; M150-L152 VanDerWaalsContact C-N 3.34Å; M150-L152 PolarHBondContact O-N 2.96Å; M150-K153 WeakPolarHBondContact O-CB 3.36Å; M150-K153 PolarHBondContact O-N 3.44Å; M150-K153 VanDerWaalsContact O-N 3.15Å; M150-I154 HydrophobicContact CG-CD1 4.35Å; M150-I154 VanDerWaalsContact O-CG1 3.3Å; M150-I154 WeakPolarHBondContact O-CG1 3.34Å; M150-I154 PolarHBondContact O-N 3.31Å; M150-I154 VanDerWaalsContact O-N 3.08Å
151M85.6Confident83.2Confident1 Ų150.5 Ų50.51%0.00528%0.279CS..Hα-helixtrans-57.7-44.1174.6-72.3-63.1-67.300112.5D147 R148 K153 I154 V155 L176 V400 L401D147-M151 WeakPolarHBondContact O-CG 3.42Å; D147-M151 PolarHBondContact O-N 3.42Å; D147-M151 VanDerWaalsContact O-N 3.15Å; R148-M151 PolarHBondContact O-N 3.31Å; M151-K153 VanDerWaalsContact C-N 3.32Å; M151-K153 PolarHBondContact O-N 2.82Å; M151-I154 PolarHBondContact O-N 2.9Å; M151-I154 HydrophobicContact SD-CD1 4.2Å; M151-V155 VanDerWaalsContact O-CG2 3.28Å; M151-V155 WeakPolarHBondContact O-CG2 3.38Å; M151-V155 PolarHBondContact O-N 3.44Å; M151-L176 HydrophobicContact CB-CD1 3.94Å; M151-L176 HydrophobicContact CB-CD2 3.96Å; M151-L176 HydrophobicContact CE-CD1 3.94Å; M151-L176 HydrophobicContact CG-CD1 4.35Å; M151-V400 HydrophobicContact CE-CB 4.2Å; M151-V400 HydrophobicContact CE-CG1 4.05Å; M151-V400 HydrophobicContact SD-CB 4.39Å; M151-V400 HydrophobicContact SD-CG1 3.6Å; M151-L401 HydrophobicContact CE-CD2 4.32Å; M151-L401 HydrophobicContact CE-CG 4.22Å
152L86.4Confident82.4Confident50 Ų5049.2 Ų49.226%0.26227%0.269SS..Hα-helixtrans-61-40.7176.8-71.7172.1000112R148 S149 M150 I154 V155 H156 C172 L176R148-L152 HydrophobicContact CG-CD1 4.21Å; R148-L152 HydrophobicContact CG-CG 4.43Å; R148-L152 VanDerWaalsContact O-CG 3.29Å; R148-L152 WeakPolarHBondContact O-CG 3.36Å; R148-L152 PolarHBondContact O-N 3.34Å; S149-L152 PolarHBondContact O-N 3.46Å; M150-L152 VanDerWaalsContact C-N 3.34Å; M150-L152 PolarHBondContact O-N 2.96Å; L152-I154 VanDerWaalsContact C-N 3.33Å; L152-I154 PolarHBondContact O-N 2.71Å; L152-V155 PolarHBondContact O-N 3.18Å; L152-H156 VanDerWaalsContact O-CB 3.24Å; L152-H156 WeakPolarHBondContact O-CB 3.41Å; L152-H156 PolarHBondContact O-N 3Å; L152-C172 HydrophobicContact CD2-CB 3.69Å; L152-L176 HydrophobicContact CD2-CD2 4.16Å; L152-L176 HydrophobicContact CG-CD2 4.23Å
153K84.1Confident81.2Confident140 Ų14047.2 Ų47.261%0.60926%0.26SS*.Hα-helixtrans-61.9-40175.8-71175.3-178.6176.80112.4S149 M150 M151 H156 S157S149-K153 WeakPolarHBondContact O-CG 3.23Å; S149-K153 PolarHBondContact O-N 3.39Å; M150-K153 WeakPolarHBondContact O-CB 3.36Å; M150-K153 PolarHBondContact O-N 3.44Å; M150-K153 VanDerWaalsContact O-N 3.15Å; M151-K153 VanDerWaalsContact C-N 3.32Å; M151-K153 PolarHBondContact O-N 2.82Å; K153-H156 WeakPolarHBondContact O-CB 3.27Å; K153-H156 PolarHBondContact O-N 2.9Å; K153-S157 PolarHBondContact O-N 3.46Å
154I83.8Confident80.4Confident4 Ų446.7 Ų46.72%0.02126%0.257CS..Hα-helixtrans-65.9-46.2179.6-61160.2000110.6V143 M150 M151 L152 H156 S157 V396 V400 L406V143-I154 HydrophobicContact CG1-CD1 4Å; M150-I154 HydrophobicContact CG-CD1 4.35Å; M150-I154 VanDerWaalsContact O-CG1 3.3Å; M150-I154 WeakPolarHBondContact O-CG1 3.34Å; M150-I154 PolarHBondContact O-N 3.31Å; M150-I154 VanDerWaalsContact O-N 3.08Å; M151-I154 PolarHBondContact O-N 2.9Å; M151-I154 HydrophobicContact SD-CD1 4.2Å; L152-I154 VanDerWaalsContact C-N 3.33Å; L152-I154 PolarHBondContact O-N 2.71Å; I154-H156 VanDerWaalsContact C-N 3.28Å; I154-H156 PolarHBondContact O-N 3.21Å; I154-S157 VanDerWaalsContact O-CB 3.24Å; I154-S157 WeakPolarHBondContact O-CB 3.47Å; I154-S157 PolarHBondContact O-N 2.83Å; I154-V396 HydrophobicContact CG2-CG1 4.29Å; I154-V400 HydrophobicContact CD1-CG1 4.17Å; I154-V400 HydrophobicContact CG2-CG2 3.99Å; I154-L406 HydrophobicContact CD1-CD1 3.56Å; I154-L406 HydrophobicContact CD1-CD2 4.33Å; I154-L406 HydrophobicContact CD1-CG 4.4Å; I154-L406 HydrophobicContact CG1-CD1 3.6Å; I154-L406 HydrophobicContact CG2-CD2 4.08Å
155V84.4Confident79.8Confident1 Ų145.1 Ų45.11%0.00625%0.253CS..Hα-helixtrans-66.2-36.4178.8-176.60000110.9M151 L152 S157 A158 I159 C172 A175 A393 C397M151-V155 VanDerWaalsContact O-CG2 3.28Å; M151-V155 WeakPolarHBondContact O-CG2 3.38Å; M151-V155 PolarHBondContact O-N 3.44Å; L152-V155 PolarHBondContact O-N 3.18Å; V155-S157 VanDerWaalsContact C-N 3.26Å; V155-S157 PolarHBondContact O-N 2.73Å; V155-A158 PolarHBondContact O-N 3.22Å; V155-A158 VanDerWaalsContact O-N 3.09Å; V155-I159 HydrophobicContact CG1-CD1 3.93Å; V155-I159 HydrophobicContact CG1-CG1 4.38Å; V155-I159 PolarHBondContact O-N 2.94Å; V155-C172 HydrophobicContact CB-CB 4.27Å; V155-C172 HydrophobicContact CG1-CB 4.08Å; V155-A175 HydrophobicContact CG1-CB 4.43Å; V155-A393 HydrophobicContact CG1-CB 3.81Å; V155-C397 WeakPolarHBondContact CG2-SG 3.42Å
156H84Confident79.7Confident61 Ų6154 Ų5428%0.28228%0.283SS..Hα-helixtrans-58.8-38.6176.4-168-81.5000112L152 K153 I154 A158 I159 N160 S168 C172L152-H156 VanDerWaalsContact O-CB 3.24Å; L152-H156 WeakPolarHBondContact O-CB 3.41Å; L152-H156 PolarHBondContact O-N 3Å; K153-H156 WeakPolarHBondContact O-CB 3.27Å; K153-H156 PolarHBondContact O-N 2.9Å; I154-H156 VanDerWaalsContact C-N 3.28Å; I154-H156 PolarHBondContact O-N 3.21Å; H156-A158 VanDerWaalsContact C-N 3.3Å; H156-A158 PolarHBondContact O-N 3.08Å; H156-I159 PolarHBondContact O-N 3.39Å; H156-N160 VanDerWaalsContact CE1-CG 3.48Å; H156-N160 PolarHBondContact CE1-ND2 2.99Å; H156-N160 VanDerWaalsContact CE1-ND2 3.34Å; H156-N160 PolarHBondContact CE1-OD1 3.49Å; H156-N160 PolarHBondContact ND1-ND2 3.05Å; H156-N160 PolarHBondContact ND1-OD1 3.47Å; H156-N160 WeakPolarHBondContact O-CB 3.41Å; H156-N160 PolarHBondContact O-N 3.4Å; H156-N160 VanDerWaalsContact O-N 3.07Å; H156-S168 PolarHBondContact CD2-OG 3.02Å; H156-S168 PolarHBondContact NE2-OG 3.44Å; H156-C172 VanDerWaalsContact CA-SG 3.58Å; H156-C172 PolarHBondContact N-SG 2.81Å; H156-C172 VanDerWaalsContact N-SG 3.42Å
157S80.3Confident79.7Confident18 Ų1854.2 Ų54.213%0.12627%0.271CS..Hα-helixtrans-55.7-43174.4-172.60000112.1K153 I154 V155 W495K153-S157 PolarHBondContact O-N 3.46Å; I154-S157 VanDerWaalsContact O-CB 3.24Å; I154-S157 WeakPolarHBondContact O-CB 3.47Å; I154-S157 PolarHBondContact O-N 2.83Å; V155-S157 VanDerWaalsContact C-N 3.26Å; V155-S157 PolarHBondContact O-N 2.73Å; S157-W495 PolarHBondContact OG-N 3.4Å; S157-W495 PolarHBondContact OG-O 2.91Å
158A76.5Confident79.4Confident15 Ų1551.5 Ų51.512%0.12426%0.257CS..Hα-helixtrans-75.6-28.6-178.300000114V155 H156 V396V155-A158 PolarHBondContact O-N 3.22Å; V155-A158 VanDerWaalsContact O-N 3.09Å; H156-A158 VanDerWaalsContact C-N 3.3Å; H156-A158 PolarHBondContact O-N 3.08Å; A158-V396 HydrophobicContact CB-CB 4.43Å; A158-V396 HydrophobicContact CB-CG1 4.32Å; A158-V396 HydrophobicContact CB-CG2 3.91Å
159I79.3Confident79.4Confident1 Ų155 Ų551%0.00528%0.277CS..Hα-helixtrans-85.5-28.1-178-62.8-178000112V155 H156 T161 K162 L164 A171 A393V155-I159 HydrophobicContact CG1-CD1 3.93Å; V155-I159 HydrophobicContact CG1-CG1 4.38Å; V155-I159 PolarHBondContact O-N 2.94Å; H156-I159 PolarHBondContact O-N 3.39Å; I159-T161 PolarHBondContact O-N 2.77Å; I159-K162 PolarHBondContact O-N 3.45Å; I159-L164 HydrophobicContact CG2-CB 3.76Å; I159-A171 HydrophobicContact CD1-CB 3.75Å; I159-A393 HydrophobicContact CD1-CB 3.67Å; I159-A393 HydrophobicContact CG1-CB 3.86Å
160N74.2Confident79.3Confident61 Ų6154.3 Ų54.333%0.32627%0.269SS..THydrogen-bonded Turntrans-55.3-27.3-173.7-97.5-2.7000114.7H156 K162H156-N160 VanDerWaalsContact CE1-CG 3.48Å; H156-N160 PolarHBondContact CE1-ND2 2.99Å; H156-N160 VanDerWaalsContact CE1-ND2 3.34Å; H156-N160 PolarHBondContact CE1-OD1 3.49Å; H156-N160 PolarHBondContact ND1-ND2 3.05Å; H156-N160 PolarHBondContact ND1-OD1 3.47Å; H156-N160 WeakPolarHBondContact O-CB 3.41Å; H156-N160 PolarHBondContact O-N 3.4Å; H156-N160 VanDerWaalsContact O-N 3.07Å; N160-K162 VanDerWaalsContact C-N 3.25Å; N160-K162 PolarHBondContact O-N 3.01Å
161T69.9Low79.5Confident45 Ų4551.5 Ų51.528%0.27626%0.256SS..THydrogen-bonded Turntrans-79.9-2.6-179.4610000114.1P42 I159P42-T161 HydrophobicContact CB-CG2 3.9Å; I159-T161 PolarHBondContact O-N 2.77Å
162K72.9Confident79.6Confident27 Ų2751.5 Ų51.512%0.11726%0.256CS..SBendtrans-120.4168.8-167.2-50.3-172.7-173.8173.80112.3I159 N160 L164 S165 N389 D392I159-K162 PolarHBondContact O-N 3.45Å; N160-K162 VanDerWaalsContact C-N 3.25Å; N160-K162 PolarHBondContact O-N 3.01Å; K162-L164 PolarHBondContact O-N 3Å; K162-S165 PolarHBondContact O-N 2.96Å; K162-N389 HydrophobicContact CD-CB 4.04Å; K162-N389 VanDerWaalsContact CD-OD1 3.22Å; K162-N389 WeakPolarHBondContact CD-OD1 2.99Å; K162-D392 VanDerWaalsContact NZ-CB 3.25Å; K162-D392 VanDerWaalsContact NZ-CG 3.33Å; K162-D392 IonicContact NZ-OD2 2.87Å; K162-D392 PolarHBondContact NZ-OD2 3.34Å
163A65.4Low79.7Confident58 Ų5850.7 Ų50.748%0.47926%0.255SS..G310 helixtrans-57.9-18.8-178.400000114.5S165 E385A163-S165 VanDerWaalsContact C-N 3.26Å; A163-S165 PolarHBondContact O-N 3.07Å; A163-E385 HydrophobicContact CB-CG 4.42Å; A163-E385 WeakPolarHBondContact CB-OE1 3.15Å
164L69.1Low80.1Confident5 Ų544.4 Ų44.43%0.02623%0.228CC..G310 helixtrans-77.52.6175.7-88.2172.9000114.8I159 K162 R166 W167 S168 A171 V386 N389I159-L164 HydrophobicContact CG2-CB 3.76Å; K162-L164 PolarHBondContact O-N 3Å; L164-R166 PolarHBondContact O-N 3.14Å; L164-W167 HydrophobicContact CD2-CB 4.12Å; L164-W167 CarbonylContact O-C 3.57Å; L164-W167 VanDerWaalsContact O-C 3.29Å; L164-W167 PolarHBondContact O-N 3.31Å; L164-S168 PolarHBondContact O-N 2.9Å; L164-A171 HydrophobicContact CD1-CB 4.14Å; L164-V386 HydrophobicContact CD1-CB 4.38Å; L164-V386 HydrophobicContact CD1-CG1 4Å; L164-V386 HydrophobicContact CD1-CG2 4.46Å; L164-V386 HydrophobicContact CD2-CG1 4.07Å; L164-V386 HydrophobicContact CD2-CG2 3.89Å; L164-V386 HydrophobicContact CG-CG1 4.41Å; L164-V386 HydrophobicContact CG-CG2 4.1Å; L164-N389 HydrophobicContact CD1-CB 3.5Å; L164-N389 HydrophobicContact CG-CB 4.35Å
165S72.4Confident80.4Confident58 Ų5844.2 Ų44.241%0.40623%0.227SC..G310 helixtrans-53.2-32.8-177.859.80000114.1K162 A163 W167 S168K162-S165 PolarHBondContact O-N 2.96Å; A163-S165 VanDerWaalsContact C-N 3.26Å; A163-S165 PolarHBondContact O-N 3.07Å; S165-W167 VanDerWaalsContact C-N 3.33Å; S165-W167 PolarHBondContact O-N 2.82Å; S165-S168 PolarHBondContact O-OG 3.26Å
166R78.9Confident80.7Confident223 Ų22344.2 Ų44.284%0.84223%0.226SC*.G310 helixtrans-70.3-26.7176.1-64-177.5-177.1176.41.6114.2L164L164-R166 PolarHBondContact O-N 3.14Å
167W82.6Confident81Confident87 Ų8744 Ų4433%0.3323%0.228SC..G310 helixtrans-118.125.9-176.6-57.4111.7000111L164 S165 E169 L170 A171 I208 E209L164-W167 HydrophobicContact CD2-CB 4.12Å; L164-W167 CarbonylContact O-C 3.57Å; L164-W167 VanDerWaalsContact O-C 3.29Å; L164-W167 PolarHBondContact O-N 3.31Å; S165-W167 VanDerWaalsContact C-N 3.33Å; S165-W167 PolarHBondContact O-N 2.82Å; W167-E169 VanDerWaalsContact C-N 3.32Å; W167-E169 PolarHBondContact O-N 3.41Å; W167-L170 PolarHBondContact O-N 3.18Å; W167-A171 PolarHBondContact O-N 2.89Å; W167-I208 HydrophobicContact CB-CG2 4.42Å; W167-I208 HydrophobicContact CD2-CG2 4.43Å; W167-I208 HydrophobicContact CG-CG2 4.09Å; W167-E209 HydrophobicContact CE3-CG 4.1Å; W167-E209 HydrophobicContact CH2-CG 3.82Å; W167-E209 WeakPolarHBondContact CH2-OE1 3.42Å; W167-E209 HydrophobicContact CZ3-CG 3.46Å; W167-E209 VanDerWaalsContact CZ3-CG 3.46Å; W167-E209 WeakPolarHBondContact CZ3-OE1 3.39Å
168S80.4Confident81.6Confident11 Ų1143.2 Ų43.28%0.07722%0.222CC..Hα-helixtrans-60.3-41.9-171.558.40000111.5H156 L164 S165 L170 A171 C172H156-S168 PolarHBondContact CD2-OG 3.02Å; H156-S168 PolarHBondContact NE2-OG 3.44Å; L164-S168 PolarHBondContact O-N 2.9Å; S165-S168 PolarHBondContact O-OG 3.26Å; S168-L170 PolarHBondContact O-N 3.22Å; S168-A171 PolarHBondContact O-N 2.92Å; S168-C172 WeakPolarHBondContact O-CB 3.35Å; S168-C172 PolarHBondContact O-N 3.3Å; S168-C172 PolarHBondContact O-SG 3.28Å
169E85.3Confident82.2Confident161 Ų16142.5 Ų42.575%0.75222%0.216SC*.Hα-helixtrans-59.6-47.5179.6-64.3-174.7174.400112.3W167 C172 S173W167-E169 VanDerWaalsContact C-N 3.32Å; W167-E169 PolarHBondContact O-N 3.41Å; E169-C172 PolarHBondContact O-N 2.75Å; E169-S173 WeakPolarHBondContact O-CB 3.2Å; E169-S173 PolarHBondContact O-N 2.89Å
170L86.6Confident82.7Confident47 Ų4746.4 Ų46.425%0.24623%0.231CC..Hα-helixtrans-62.2-49.7177.1-176.770.1000110.3W167 S168 C172 S173 I174 I208W167-L170 PolarHBondContact O-N 3.18Å; S168-L170 PolarHBondContact O-N 3.22Å; L170-C172 VanDerWaalsContact C-N 3.34Å; L170-C172 PolarHBondContact O-N 3.31Å; L170-S173 PolarHBondContact O-N 3.31Å; L170-S173 PolarHBondContact O-OG 3.49Å; L170-I174 HydrophobicContact CD1-CD1 4.22Å; L170-I174 HydrophobicContact CD2-CD1 4.41Å; L170-I174 HydrophobicContact CG-CD1 3.86Å; L170-I174 HydrophobicContact CG-CG1 4.49Å; L170-I174 VanDerWaalsContact O-CG1 3.31Å; L170-I174 WeakPolarHBondContact O-CG1 3.47Å; L170-I174 PolarHBondContact O-N 3.16Å; L170-I208 HydrophobicContact CD2-CG2 4.33Å; L170-I208 WeakPolarHBondContact CD2-O 3.28Å
171A86.6Confident83.3Confident7 Ų744.4 Ų44.46%0.05822%0.221CC..Hα-helixtrans-60.8-40.8179.800000112.5I159 L164 W167 S168 I174 A175 L390I159-A171 HydrophobicContact CD1-CB 3.75Å; L164-A171 HydrophobicContact CD1-CB 4.14Å; W167-A171 PolarHBondContact O-N 2.89Å; S168-A171 PolarHBondContact O-N 2.92Å; A171-I174 PolarHBondContact O-N 3.48Å; A171-A175 VanDerWaalsContact O-CB 3.31Å; A171-A175 WeakPolarHBondContact O-CB 3.34Å; A171-A175 PolarHBondContact O-N 3.44Å; A171-L390 HydrophobicContact CB-CD1 4.46Å; A171-L390 WeakPolarHBondContact O-CD1 3.14Å
172C87.8Confident84.1Confident2 Ų242.3 Ų42.31%0.01421%0.208CC..Hα-helixtrans-62.5-43.8175.3-68.40000111.6L152 V155 H156 S168 E169 L170 A175 L176L152-C172 HydrophobicContact CD2-CB 3.69Å; V155-C172 HydrophobicContact CB-CB 4.27Å; V155-C172 HydrophobicContact CG1-CB 4.08Å; H156-C172 VanDerWaalsContact CA-SG 3.58Å; H156-C172 PolarHBondContact N-SG 2.81Å; H156-C172 VanDerWaalsContact N-SG 3.42Å; S168-C172 WeakPolarHBondContact O-CB 3.35Å; S168-C172 PolarHBondContact O-N 3.3Å; S168-C172 PolarHBondContact O-SG 3.28Å; E169-C172 PolarHBondContact O-N 2.75Å; L170-C172 VanDerWaalsContact C-N 3.34Å; L170-C172 PolarHBondContact O-N 3.31Å; C172-A175 PolarHBondContact O-N 3.01Å; C172-L176 WeakPolarHBondContact O-CB 3.46Å; C172-L176 PolarHBondContact O-N 2.99Å
173S89.8Confident84.7Confident32 Ų3243.2 Ų43.222%0.22421%0.212CC..Hα-helixtrans-63-45.1178.4770000111.9E169 L170 L176 D177E169-S173 WeakPolarHBondContact O-CB 3.2Å; E169-S173 PolarHBondContact O-N 2.89Å; L170-S173 PolarHBondContact O-N 3.31Å; L170-S173 PolarHBondContact O-OG 3.49Å; S173-L176 PolarHBondContact O-N 2.92Å; S173-D177 WeakPolarHBondContact O-CB 3.46Å; S173-D177 PolarHBondContact O-N 3.35Å
174I91.6Very high85.5Confident9 Ų941 Ų415%0.04619%0.193CC..Hα-helixtrans-62.5-47.4177.5-70.1173.5000110.3L170 A171 L176 D177 A178 V213 I373 L390L170-I174 HydrophobicContact CD1-CD1 4.22Å; L170-I174 HydrophobicContact CD2-CD1 4.41Å; L170-I174 HydrophobicContact CG-CD1 3.86Å; L170-I174 HydrophobicContact CG-CG1 4.49Å; L170-I174 VanDerWaalsContact O-CG1 3.31Å; L170-I174 WeakPolarHBondContact O-CG1 3.47Å; L170-I174 PolarHBondContact O-N 3.16Å; A171-I174 PolarHBondContact O-N 3.48Å; I174-L176 PolarHBondContact O-N 2.74Å; I174-D177 PolarHBondContact O-N 2.87Å; I174-A178 VanDerWaalsContact O-CB 3.22Å; I174-A178 WeakPolarHBondContact O-CB 3.42Å; I174-A178 PolarHBondContact O-N 2.92Å; I174-V213 HydrophobicContact CB-CG2 4Å; I174-V213 HydrophobicContact CG1-CG2 4.29Å; I174-V213 HydrophobicContact CG2-CG2 3.56Å; I174-V213 VanDerWaalsContact O-CG2 3.3Å; I174-V213 WeakPolarHBondContact O-CG2 3.33Å; I174-I373 HydrophobicContact CG2-CD1 4.24Å; I174-I373 HydrophobicContact CG2-CG2 3.54Å; I174-L390 HydrophobicContact CB-CD1 4.31Å; I174-L390 HydrophobicContact CG2-CD1 3.91Å; I174-L390 HydrophobicContact CG2-CD2 3.87Å
175A91.1Very high86Confident0 Ų047.1 Ų47.10%022%0.221CC..Hα-helixtrans-61.3-45.9-179.900000111.5V155 A171 C172 A178 V179 L390 A393 M394V155-A175 HydrophobicContact CG1-CB 4.43Å; A171-A175 VanDerWaalsContact O-CB 3.31Å; A171-A175 WeakPolarHBondContact O-CB 3.34Å; A171-A175 PolarHBondContact O-N 3.44Å; C172-A175 PolarHBondContact O-N 3.01Å; A175-A178 PolarHBondContact O-N 2.96Å; A175-V179 WeakPolarHBondContact O-CB 3.24Å; A175-V179 VanDerWaalsContact O-CG2 3.23Å; A175-V179 WeakPolarHBondContact O-CG2 3.49Å; A175-V179 PolarHBondContact O-N 3.35Å; A175-L390 HydrophobicContact CB-CD1 4.01Å; A175-A393 HydrophobicContact CB-CB 3.9Å; A175-M394 HydrophobicContact CB-CG 3.88Å
176L90.4Very high86.1Confident0 Ų049.2 Ų49.20%023%0.225CC..Hα-helixtrans-66.6-42.8180-173.661.9000112.1R148 M151 L152 C172 S173 I174 V179 R180R148-L176 HydrophobicContact CG-CD2 3.67Å; M151-L176 HydrophobicContact CB-CD1 3.94Å; M151-L176 HydrophobicContact CB-CD2 3.96Å; M151-L176 HydrophobicContact CE-CD1 3.94Å; M151-L176 HydrophobicContact CG-CD1 4.35Å; L152-L176 HydrophobicContact CD2-CD2 4.16Å; L152-L176 HydrophobicContact CG-CD2 4.23Å; C172-L176 WeakPolarHBondContact O-CB 3.46Å; C172-L176 PolarHBondContact O-N 2.99Å; S173-L176 PolarHBondContact O-N 2.92Å; I174-L176 PolarHBondContact O-N 2.74Å; L176-V179 PolarHBondContact O-N 2.91Å; L176-R180 HydrophobicContact CD1-CG 4.39Å; L176-R180 WeakPolarHBondContact O-CB 3.28Å; L176-R180 WeakPolarHBondContact O-CG 3.23Å; L176-R180 PolarHBondContact O-N 3Å
177D90.7Very high85.4Confident58 Ų5847 Ų4731%0.3123%0.229SC..Hα-helixtrans-67.3-39.6179-70.3-18.2000111.5R148 S173 I174 T181 V213R148-D177 IonicContact CZ-OD1 2.86Å; R148-D177 VanDerWaalsContact CZ-OD1 3.24Å; R148-D177 IonicContact NH1-OD1 2.66Å; R148-D177 PolarHBondContact NH1-OD1 3.34Å; R148-D177 IonicContact NH2-OD1 2.81Å; R148-D177 PolarHBondContact NH2-OD1 2.95Å; R148-D177 IonicContact NH2-OD2 2.85Å; R148-D177 PolarHBondContact NH2-OD2 3.18Å; S173-D177 WeakPolarHBondContact O-CB 3.46Å; S173-D177 PolarHBondContact O-N 3.35Å; I174-D177 PolarHBondContact O-N 2.87Å; D177-T181 VanDerWaalsContact O-CB 3.27Å; D177-T181 WeakPolarHBondContact O-CB 3.3Å; D177-T181 PolarHBondContact O-N 3.06Å; D177-T181 PolarHBondContact O-OG1 3.45Å; D177-V213 HydrophobicContact CB-CG2 4.22Å
178A91.6Very high84.8Confident0 Ų046.8 Ų46.80%026%0.255CS..Hα-helixtrans-62.6-49.2174.800000111.5I174 A175 T181 V182 V213 I373 M394I174-A178 VanDerWaalsContact O-CB 3.22Å; I174-A178 WeakPolarHBondContact O-CB 3.42Å; I174-A178 PolarHBondContact O-N 2.92Å; A175-A178 PolarHBondContact O-N 2.96Å; A178-T181 WeakPolarHBondContact O-CB 3.28Å; A178-T181 PolarHBondContact O-N 2.87Å; A178-T181 VanDerWaalsContact O-N 3.15Å; A178-V182 WeakPolarHBondContact O-CG2 3.35Å; A178-V182 PolarHBondContact O-N 3.38Å; A178-V213 HydrophobicContact CB-CG1 4.35Å; A178-V213 HydrophobicContact CB-CG2 4.27Å; A178-I373 HydrophobicContact CB-CD1 3.65Å; A178-I373 HydrophobicContact CB-CG1 4.15Å; A178-M394 HydrophobicContact CB-SD 3.94Å
179V90.3Very high84.6Confident0 Ų056 Ų560%029%0.288CS..Hα-helixtrans-66.1-43.4-177175.90000111.9A175 L176 T181 V182 E183 I192 I194 M394 C397 L401A175-V179 WeakPolarHBondContact O-CB 3.24Å; A175-V179 VanDerWaalsContact O-CG2 3.23Å; A175-V179 WeakPolarHBondContact O-CG2 3.49Å; A175-V179 PolarHBondContact O-N 3.35Å; L176-V179 PolarHBondContact O-N 2.91Å; V179-T181 PolarHBondContact O-N 3.48Å; V179-V182 WeakPolarHBondContact O-CG2 3.31Å; V179-V182 PolarHBondContact O-N 3.36Å; V179-E183 PolarHBondContact O-N 2.83Å; V179-I192 HydrophobicContact CG1-CD1 4.2Å; V179-I192 HydrophobicContact CG1-CG2 3.99Å; V179-I194 HydrophobicContact CG2-CD1 4.17Å; V179-I194 HydrophobicContact CG2-CG1 4.4Å; V179-M394 HydrophobicContact CG2-CB 3.76Å; V179-M394 HydrophobicContact CG2-CG 3.99Å; V179-M394 WeakPolarHBondContact CG2-O 3.31Å; V179-C397 HydrophobicContact CB-CB 4.05Å; V179-C397 HydrophobicContact CG1-CB 4.06Å; V179-C397 HydrophobicContact CG2-CB 3.81Å; V179-L401 HydrophobicContact CG1-CD1 3.43Å; V179-L401 VanDerWaalsContact CG1-CD1 3.43Å
180R88.8Confident84.3Confident83 Ų8351.7 Ų51.731%0.31327%0.266SS..Hα-helixtrans-64-28.6174.2-75.2-176.9171.2-165.8-3.3112.8T145 S146 L176T145-R180 PolarHBondContact O-NH2 3.37Å; T145-R180 VanDerWaalsContact O-NH2 3.12Å; S146-R180 PolarHBondContact O-NH2 2.92Å; L176-R180 HydrophobicContact CD1-CG 4.39Å; L176-R180 WeakPolarHBondContact O-CB 3.28Å; L176-R180 WeakPolarHBondContact O-CG 3.23Å; L176-R180 PolarHBondContact O-N 3Å
181T87.4Confident84.2Confident20 Ų2054.4 Ų54.412%0.12328%0.278CS..Hα-helixtrans-73.5-38.7177-59.90000111.3D177 A178 V179 E183 P368 C371D177-T181 VanDerWaalsContact O-CB 3.27Å; D177-T181 WeakPolarHBondContact O-CB 3.3Å; D177-T181 PolarHBondContact O-N 3.06Å; D177-T181 PolarHBondContact O-OG1 3.45Å; A178-T181 WeakPolarHBondContact O-CB 3.28Å; A178-T181 PolarHBondContact O-N 2.87Å; A178-T181 VanDerWaalsContact O-N 3.15Å; V179-T181 PolarHBondContact O-N 3.48Å; T181-E183 VanDerWaalsContact C-N 3.32Å; T181-P368 HydrophobicContact CG2-CB 3.99Å; T181-P368 HydrophobicContact CG2-CG 4.01Å; T181-P368 WeakPolarHBondContact CG2-O 3.17Å; T181-C371 HydrophobicContact CG2-CB 3.81Å
182V87.3Confident84.1Confident1 Ų154.3 Ų54.31%0.00628%0.276CS..Hα-helixtrans-85.6-2.9178.4-60.10000114.1A178 V179 L184 I192 A198A178-V182 WeakPolarHBondContact O-CG2 3.35Å; A178-V182 PolarHBondContact O-N 3.38Å; V179-V182 WeakPolarHBondContact O-CG2 3.31Å; V179-V182 PolarHBondContact O-N 3.36Å; V182-L184 PolarHBondContact O-N 3.2Å; V182-I192 HydrophobicContact CG2-CG2 3.92Å; V182-A198 HydrophobicContact CG1-CB 4.23Å
183E85.6Confident83.9Confident45 Ų4555.7 Ų55.721%0.2128%0.283CS..  trans-63.7131.6178.9-174.9176.4-170.400111.2V179 T181 K190 I192V179-E183 PolarHBondContact O-N 2.83Å; T181-E183 VanDerWaalsContact C-N 3.32Å; E183-K190 IonicContact OE1-NZ 2.83Å; E183-K190 PolarHBondContact OE1-NZ 3.19Å; E183-I192 HydrophobicContact CG-CD1 4.44Å; E183-I192 HydrophobicContact CG-CG1 4.38Å
184L81.9Confident83.7Confident12 Ų1254.6 Ų54.66%0.06328%0.275CS..EExtended strand (participates in β ladder)trans-128.6129.5176.5-68.7169.6000111V182 K190 E191 K369V182-L184 PolarHBondContact O-N 3.2Å; L184-K190 CarbonylContact O-C 3.58Å; L184-K190 WeakPolarHBondContact O-CA 3.22Å; L184-E191 PolarHBondContact N-O 3.3Å; L184-E191 VanDerWaalsContact N-O 3.08Å; L184-E191 PolarHBondContact O-N 3.33Å; L184-K369 HydrophobicContact CD2-CB 4.18Å; L184-K369 HydrophobicContact CD2-CD 3.41Å; L184-K369 VanDerWaalsContact CD2-CD 3.41Å; L184-K369 HydrophobicContact CD2-CG 3.6Å
185E79Confident83.4Confident133 Ų13361.2 Ų61.262%0.62130%0.304SS*.EExtended strand (participates in β ladder)trans-104.5102.5169.7-66.4-173.3166.200108.1K190E185-K190 HydrophobicContact CG-CG 4.04Å; E185-K190 WeakPolarHBondContact OE1-CE 3.49Å; E185-K190 IonicContact OE1-NZ 2.77Å; E185-K190 PolarHBondContact OE1-NZ 3.24Å
186E74.3Confident83.1Confident103 Ų10367 Ų6748%0.48133%0.329SS..EExtended strand (participates in β ladder)trans-113.9120.4170.8-70.4-168.9178.100108.6G188 R189E186-G188 VanDerWaalsContact C-N 3.27Å; E186-G188 PolarHBondContact O-N 3.44Å; E186-G188 VanDerWaalsContact O-N 3.17Å; E186-R189 PolarHBondContact N-O 3.35Å; E186-R189 PolarHBondContact O-N 3.23Å
187N65.7Low82.9Confident175 Ų17568.7 Ų68.794%0.93634%0.335SS*.THydrogen-bonded Turntrans52.937.6175.9-57.6-27.5000114.9R189N187-R189 PolarHBondContact O-N 2.93Å
188G69.8Low82.9Confident84 Ų8466.3 Ų66.387%0.86632%0.324SS*.THydrogen-bonded Turntrans77.91.5179.500000114.9E186E186-G188 VanDerWaalsContact C-N 3.27Å; E186-G188 PolarHBondContact O-N 3.44Å; E186-G188 VanDerWaalsContact O-N 3.17Å
189R74.9Confident82.8Confident204 Ų20467.3 Ų67.377%0.7733%0.328SS*.EExtended strand (participates in β ladder)trans-102.5125.2170.6-171.1174.5179.4173.1-0.8109.4E186 N187E186-R189 PolarHBondContact N-O 3.35Å; E186-R189 PolarHBondContact O-N 3.23Å; N187-R189 PolarHBondContact O-N 2.93Å
190K80.1Confident82.9Confident70 Ų7068.2 Ų68.230%0.30433%0.334SS..EExtended strand (participates in β ladder)trans-76.6121.8170.1-69.1178.8179.6-115.20108.8E183 L184 E185 L402E183-K190 IonicContact OE1-NZ 2.83Å; E183-K190 PolarHBondContact OE1-NZ 3.19Å; L184-K190 CarbonylContact O-C 3.58Å; L184-K190 WeakPolarHBondContact O-CA 3.22Å; E185-K190 HydrophobicContact CG-CG 4.04Å; E185-K190 WeakPolarHBondContact OE1-CE 3.49Å; E185-K190 IonicContact OE1-NZ 2.77Å; E185-K190 PolarHBondContact OE1-NZ 3.24Å; K190-L402 HydrophobicContact CB-CD2 4.01Å; K190-L402 VanDerWaalsContact O-CD2 3.27Å; K190-L402 WeakPolarHBondContact O-CD2 2.9Å
191E83.1Confident83.1Confident105 Ų10565.7 Ų65.749%0.49133%0.326SS..EExtended strand (participates in β ladder)trans-118.3128.8171.1-169179.4177.900109.2L184L184-E191 PolarHBondContact N-O 3.3Å; L184-E191 VanDerWaalsContact N-O 3.08Å; L184-E191 PolarHBondContact O-N 3.33Å
192I84.9Confident83.3Confident5 Ų569 Ų693%0.02634%0.338CS..  trans-131.5107.1-179.2-53.5179.4000107V179 V182 E183 I194 R398 L401V179-I192 HydrophobicContact CG1-CD1 4.2Å; V179-I192 HydrophobicContact CG1-CG2 3.99Å; V182-I192 HydrophobicContact CG2-CG2 3.92Å; E183-I192 HydrophobicContact CG-CD1 4.44Å; E183-I192 HydrophobicContact CG-CG1 4.38Å; I192-I194 HydrophobicContact CG2-CG1 4.01Å; I192-R398 HydrophobicContact CB-CG 4.03Å; I192-R398 HydrophobicContact CD1-CG 4.45Å; I192-R398 HydrophobicContact CG2-CB 4.17Å; I192-R398 HydrophobicContact CG2-CG 4.1Å; I192-R398 WeakPolarHBondContact O-CD 3.48Å; I192-R398 PolarHBondContact O-NE 3.4Å; I192-L401 HydrophobicContact CD1-CB 3.8Å; I192-L401 HydrophobicContact CD1-CD1 3.8Å; I192-L401 HydrophobicContact CD1-CG 4.48Å
193D84.2Confident83.5Confident30 Ų3069.2 Ų69.216%0.1634%0.339CS..  trans-110.990.1175.2-173.5-15.5000109.9K195 K196 Y197D193-K195 PolarHBondContact OD1-N 2.92Å; D193-K196 PolarHBondContact OD1-N 3.18Å; D193-K196 VanDerWaalsContact OD2-CD 3.3Å; D193-K196 WeakPolarHBondContact OD2-CD 3.23Å; D193-K196 WeakPolarHBondContact OD2-CE 3.43Å; D193-K196 VanDerWaalsContact OD2-CG 3.25Å; D193-K196 WeakPolarHBondContact OD2-CG 3.35Å; D193-K196 IonicContact OD2-NZ 3.49Å; D193-K196 PolarHBondContact OD2-NZ 3.06Å; D193-Y197 HydrophobicContact CB-CD2 3.9Å; D193-Y197 HydrophobicContact CB-CE2 4Å; D193-Y197 WeakPolarHBondContact O-CD2 3.34Å; D193-Y197 PolarHBondContact O-N 3.42Å
194I85.5Confident83.7Confident10 Ų1070 Ų705%0.05135%0.349CS..Hα-helixtrans-66.6-42.5179.3-58.4163000110.2V179 I192 K196 Y197 A198 M394 Q395 R398V179-I194 HydrophobicContact CG2-CD1 4.17Å; V179-I194 HydrophobicContact CG2-CG1 4.4Å; I192-I194 HydrophobicContact CG2-CG1 4.01Å; I194-K196 VanDerWaalsContact C-N 3.32Å; I194-K196 PolarHBondContact O-N 3.43Å; I194-Y197 PolarHBondContact O-N 3.45Å; I194-A198 HydrophobicContact CG2-CB 3.83Å; I194-A198 WeakPolarHBondContact O-CA 3.45Å; I194-A198 WeakPolarHBondContact O-CB 3.39Å; I194-A198 PolarHBondContact O-N 3.03Å; I194-M394 HydrophobicContact CD1-CB 3.88Å; I194-M394 VanDerWaalsContact CD1-O 3.26Å; I194-M394 WeakPolarHBondContact CD1-O 3.35Å; I194-M394 HydrophobicContact CG2-CB 4.08Å; I194-M394 HydrophobicContact CG2-CE 3.9Å; I194-M394 HydrophobicContact CG2-SD 3.9Å; I194-Q395 HydrophobicContact CD1-CG 4.44Å; I194-R398 HydrophobicContact CD1-CB 3.68Å; I194-R398 HydrophobicContact CD1-CG 4.34Å
195K84.3Confident83.9Confident148 Ų14870.9 Ų70.964%0.64336%0.36SS*.Hα-helixtrans-60.4-41.3-173.2-172.7173.3-175.4170.50111.7E88 D193E88-K195 IonicContact OE1-NZ 3.25Å; E88-K195 PolarHBondContact OE1-NZ 2.73Å; E88-K195 VanDerWaalsContact OE1-NZ 3.09Å; D193-K195 PolarHBondContact OD1-N 2.92Å
196K84.6Confident84.2Confident121 Ų12166.6 Ų66.653%0.52635%0.352SS..Hα-helixtrans-84.4-41.1179.9-62.8-165.5-162.3100.30112.8D193 I194 R321D193-K196 PolarHBondContact OD1-N 3.18Å; D193-K196 VanDerWaalsContact OD2-CD 3.3Å; D193-K196 WeakPolarHBondContact OD2-CD 3.23Å; D193-K196 WeakPolarHBondContact OD2-CE 3.43Å; D193-K196 VanDerWaalsContact OD2-CG 3.25Å; D193-K196 WeakPolarHBondContact OD2-CG 3.35Å; D193-K196 IonicContact OD2-NZ 3.49Å; D193-K196 PolarHBondContact OD2-NZ 3.06Å; I194-K196 VanDerWaalsContact C-N 3.32Å; I194-K196 PolarHBondContact O-N 3.43Å; K196-R321 PolarHBondContact O-NE 3.09Å; K196-R321 PolarHBondContact O-NH2 3.12Å
197Y87.8Confident84.8Confident35 Ų3566.4 Ų66.414%0.13735%0.353CS..Hα-helixtrans-107.4-16.7-165.1-56.7-54.9000115.8D193 I194 R324 A370 C371D193-Y197 HydrophobicContact CB-CD2 3.9Å; D193-Y197 HydrophobicContact CB-CE2 4Å; D193-Y197 WeakPolarHBondContact O-CD2 3.34Å; D193-Y197 PolarHBondContact O-N 3.42Å; I194-Y197 PolarHBondContact O-N 3.45Å; Y197-R324 HydrophobicContact CE1-CB 4.47Å; Y197-R324 HydrophobicContact CE1-CG 4.42Å; Y197-R324 VanDerWaalsContact CZ-CZ 3.48Å; Y197-R324 PolarHBondContact OH-NH1 3.33Å; Y197-A370 HydrophobicContact CD1-CB 4.41Å; Y197-A370 WeakPolarHBondContact O-CA 3.35Å; Y197-C371 PolarHBondContact O-N 3.41Å; Y197-C371 VanDerWaalsContact O-O 3.04Å
198A89.4Confident85.8Confident9 Ų959.7 Ų59.77%0.07432%0.317CS..EExtended strand (participates in β ladder)trans-99.897.7169.600000109.4V182 I194 C371 M394V182-A198 HydrophobicContact CG1-CB 4.23Å; I194-A198 HydrophobicContact CG2-CB 3.83Å; I194-A198 WeakPolarHBondContact O-CA 3.45Å; I194-A198 WeakPolarHBondContact O-CB 3.39Å; I194-A198 PolarHBondContact O-N 3.03Å; A198-C371 WeakPolarHBondContact CA-O 3.29Å; A198-M394 HydrophobicContact CB-SD 4.34Å
199K90.9Very high86.6Confident20 Ų2061.4 Ų61.49%0.08730%0.302CS..EExtended strand (participates in β ladder)trans-84.5131.7176.3-173.7-173.8-176.1-168.10109.4E201 M218 D318 C371 T372 I373K199-E201 WeakPolarHBondContact CE-OE2 3.49Å; K199-E201 IonicContact NZ-OE2 2.82Å; K199-E201 PolarHBondContact NZ-OE2 2.9Å; K199-M218 PolarHBondContact NZ-O 3.2Å; K199-M218 VanDerWaalsContact NZ-O 3.14Å; K199-D318 WeakPolarHBondContact CD-OD1 3.3Å; K199-D318 WeakPolarHBondContact CE-OD1 3.46Å; K199-D318 IonicContact NZ-OD1 3.76Å; K199-D318 PolarHBondContact NZ-OD1 2.91Å; K199-D318 IonicContact NZ-OD2 3.19Å; K199-D318 PolarHBondContact NZ-OD2 3.29Å; K199-C371 PolarHBondContact N-O 3.37Å; K199-T372 HydrophobicContact CB-CG2 4.14Å; K199-T372 HydrophobicContact CD-CG2 4.2Å; K199-T372 HydrophobicContact CG-CG2 4.35Å; K199-T372 CarbonylContact O-C 3.41Å; K199-T372 VanDerWaalsContact O-CA 3.3Å; K199-T372 WeakPolarHBondContact O-CA 3.37Å; K199-I373 PolarHBondContact O-N 3.47Å
200V92.3Very high87.3Confident20 Ų2055.6 Ų55.612%0.12129%0.287CS..EExtended strand (participates in β ladder)trans-97.9119.8167.6-175.20000108.7K202 I373 L375 E387 M394V200-K202 HydrophobicContact CG1-CG 4.49Å; V200-I373 HydrophobicContact CG2-CB 4.4Å; V200-I373 HydrophobicContact CG2-CD1 4.3Å; V200-L375 HydrophobicContact CG1-CD1 3.28Å; V200-L375 HydrophobicContact CG1-CG 3.72Å; V200-E387 HydrophobicContact CB-CG 4.19Å; V200-E387 HydrophobicContact CG1-CB 4.28Å; V200-E387 HydrophobicContact CG1-CG 3.95Å; V200-E387 HydrophobicContact CG2-CG 4.41Å; V200-M394 HydrophobicContact CG2-CE 4.41Å
201E91.7Very high87.8Confident30 Ų3052.6 Ų52.614%0.1427%0.274CS..EExtended strand (participates in β ladder)trans-108.3113.7176.4-16771.6-147.300109K199 V203 M218 F359 T372 I373 L375K199-E201 WeakPolarHBondContact CE-OE2 3.49Å; K199-E201 IonicContact NZ-OE2 2.82Å; K199-E201 PolarHBondContact NZ-OE2 2.9Å; E201-V203 HydrophobicContact CG-CG2 4.27Å; E201-M218 HydrophobicContact CB-CE 4.43Å; E201-M218 HydrophobicContact CB-SD 4.28Å; E201-M218 HydrophobicContact CG-CE 3.68Å; E201-M218 HydrophobicContact CG-SD 4.1Å; E201-F359 HydrophobicContact CG-CE1 4.49Å; E201-T372 HydrophobicContact CB-CG2 3.95Å; E201-I373 PolarHBondContact N-O 2.93Å; E201-L375 PolarHBondContact O-N 3.37Å
202K92.1Very high88.2Confident88 Ų8852.8 Ų52.838%0.38327%0.271SS..EExtended strand (participates in β ladder)trans-92.6111.6-177.8-66.4176.2-69.9-161.30109.6V200 L383 E387V200-K202 HydrophobicContact CG1-CG 4.49Å; K202-L383 HydrophobicContact CB-CB 4.44Å; K202-L383 HydrophobicContact CB-CD1 4.38Å; K202-L383 HydrophobicContact CD-CB 4.17Å; K202-L383 HydrophobicContact CG-CB 4.3Å; K202-E387 HydrophobicContact CD-CB 4.36Å; K202-E387 VanDerWaalsContact CD-OE2 3.24Å; K202-E387 WeakPolarHBondContact CD-OE2 3.42Å; K202-E387 WeakPolarHBondContact CE-OE2 3.3Å; K202-E387 IonicContact NZ-OE2 3.52Å; K202-E387 PolarHBondContact NZ-OE2 3.32Å
203V91Very high88.6Confident6 Ų653.9 Ų53.94%0.03628%0.278CS..EExtended strand (participates in β ladder)trans-116.6112177-168.10000109.1E201 M218 I354 F359 L374 L375 R376E201-V203 HydrophobicContact CG-CG2 4.27Å; V203-M218 HydrophobicContact CG2-CE 3.86Å; V203-I354 HydrophobicContact CG1-CG2 3.93Å; V203-F359 HydrophobicContact CG1-CE2 4.18Å; V203-F359 HydrophobicContact CG1-CZ 4.19Å; V203-F359 HydrophobicContact CG2-CE1 4.28Å; V203-F359 HydrophobicContact CG2-CE2 4.33Å; V203-F359 HydrophobicContact CG2-CZ 3.82Å; V203-L374 HydrophobicContact CB-CD1 4.17Å; V203-L374 HydrophobicContact CG2-CD1 3.53Å; V203-L375 PolarHBondContact N-O 2.77Å; V203-R376 PolarHBondContact O-NH1 2.9Å
204P90.1Very high88.9Confident62 Ų6253.1 Ų53.140%0.40327%0.274SS..EExtended strand (participates in β ladder)trans-63.8153.7-179.228.3-34.4000111.7R376 K380P204-R376 PolarHBondContact O-NH1 2.91Å; P204-K380 HydrophobicContact CB-CG 4.38Å
205G86Confident89.1Confident30 Ų3058.8 Ų58.831%0.30930%0.298SS..BIsolated β-bridgetrans88.8172-174.700000113.4R376 G377G205-R376 PolarHBondContact O-NE 3.38Å; G205-R376 PolarHBondContact O-NH1 3.42Å; G205-R376 PolarHBondContact O-NH2 3.44Å; G205-G377 PolarHBondContact N-O 3.23Å; G205-G377 PolarHBondContact O-N 2.98Å
206G85.6Confident89.2Confident43 Ų4351.7 Ų51.744%0.44327%0.268SS..SBendtrans75.4-170-171.900000113
207I87.5Confident89.6Confident99 Ų9946 Ų4651%0.50824%0.243SC..  trans-105.4153.7177.5-54.9172.7000108.1E209 D210 R376I207-E209 HydrophobicContact CG2-CB 4.23Å; I207-E209 HydrophobicContact CG2-CG 4.3Å; I207-E209 PolarHBondContact O-N 2.86Å; I207-D210 PolarHBondContact N-OD2 3.02Å; I207-D210 WeakPolarHBondContact O-CB 3.46Å; I207-D210 PolarHBondContact O-N 3.48Å; I207-R376 WeakPolarHBondContact O-CB 3.37Å
208I85.9Confident89.8Confident34 Ų3444.4 Ų44.417%0.17424%0.237CC..G310 helixtrans-59.1-33.9178.2-67.2171.9000111.5W167 L170 D210 S211 R376W167-I208 HydrophobicContact CB-CG2 4.42Å; W167-I208 HydrophobicContact CD2-CG2 4.43Å; W167-I208 HydrophobicContact CG-CG2 4.09Å; L170-I208 HydrophobicContact CD2-CG2 4.33Å; L170-I208 WeakPolarHBondContact CD2-O 3.28Å; I208-D210 PolarHBondContact O-N 3.37Å; I208-S211 WeakPolarHBondContact O-CB 3.43Å; I208-S211 PolarHBondContact O-N 3.28Å; I208-S211 PolarHBondContact O-OG 2.86Å; I208-R376 WeakPolarHBondContact CA-O 3.11Å
209E87.6Confident90Very high120 Ų12044.1 Ų44.156%0.56123%0.234SC*.G310 helixtrans-60.6-22.5175.5-64.3178.5176.900113.8W167 I207 S211W167-E209 HydrophobicContact CE3-CG 4.1Å; W167-E209 HydrophobicContact CH2-CG 3.82Å; W167-E209 WeakPolarHBondContact CH2-OE1 3.42Å; W167-E209 HydrophobicContact CZ3-CG 3.46Å; W167-E209 VanDerWaalsContact CZ3-CG 3.46Å; W167-E209 WeakPolarHBondContact CZ3-OE1 3.39Å; I207-E209 HydrophobicContact CG2-CB 4.23Å; I207-E209 HydrophobicContact CG2-CG 4.3Å; I207-E209 PolarHBondContact O-N 2.86Å; E209-S211 PolarHBondContact O-N 3.11Å
210D89.2Confident90Very high83 Ų8346 Ų4644%0.44425%0.245SC..G310 helixtrans-751.1175.1-57.9-34.9000112.5I207 I208 Y212 R376I207-D210 PolarHBondContact N-OD2 3.02Å; I207-D210 WeakPolarHBondContact O-CB 3.46Å; I207-D210 PolarHBondContact O-N 3.48Å; I208-D210 PolarHBondContact O-N 3.37Å; D210-Y212 VanDerWaalsContact O-CD1 3.28Å; D210-Y212 WeakPolarHBondContact O-CD1 3.35Å; D210-R376 HydrophobicContact CB-CB 4.06Å; D210-R376 HydrophobicContact CB-CG 3.95Å
211S90.9Very high90Very high6 Ų649 Ų494%0.04226%0.256CS..  trans-82.2132.7178.5-53.80000110.8I208 E209 L374 R376I208-S211 WeakPolarHBondContact O-CB 3.43Å; I208-S211 PolarHBondContact O-N 3.28Å; I208-S211 PolarHBondContact O-OG 2.86Å; E209-S211 PolarHBondContact O-N 3.11Å; S211-L374 VanDerWaalsContact CA-O 3.23Å; S211-L374 WeakPolarHBondContact CA-O 3.5Å; S211-L374 VanDerWaalsContact CB-O 3.28Å; S211-L374 WeakPolarHBondContact CB-O 3.32Å; S211-R376 PolarHBondContact OG-N 3.42Å; S211-R376 PolarHBondContact OG-O 2.91Å
212Y91.1Very high90.1Very high109 Ų10950 Ų5043%0.42726%0.262SS..EExtended strand (participates in β ladder)trans-152.6163.5179.662.6-84.2000112.2D210 L214 L374D210-Y212 VanDerWaalsContact O-CD1 3.28Å; D210-Y212 WeakPolarHBondContact O-CD1 3.35Å; Y212-L214 HydrophobicContact CD2-CD2 4.29Å; Y212-L214 HydrophobicContact CD2-CG 4.12Å; Y212-L214 HydrophobicContact CE2-CD1 4.35Å; Y212-L214 HydrophobicContact CE2-CD2 3.38Å; Y212-L214 HydrophobicContact CE2-CG 3.56Å; Y212-L374 HydrophobicContact CE1-CD2 3.8Å; Y212-L374 PolarHBondContact N-O 2.91Å; Y212-L374 PolarHBondContact O-N 2.92Å
213V92.4Very high90.1Very high28 Ų2846.3 Ų46.317%0.1725%0.248CC..EExtended strand (participates in β ladder)trans-86.9119.5175.4-176.30000109.6I174 D177 A178 C371 I373I174-V213 HydrophobicContact CB-CG2 4Å; I174-V213 HydrophobicContact CG1-CG2 4.29Å; I174-V213 HydrophobicContact CG2-CG2 3.56Å; I174-V213 VanDerWaalsContact O-CG2 3.3Å; I174-V213 WeakPolarHBondContact O-CG2 3.33Å; D177-V213 HydrophobicContact CB-CG2 4.22Å; A178-V213 HydrophobicContact CB-CG1 4.35Å; A178-V213 HydrophobicContact CB-CG2 4.27Å; V213-C371 HydrophobicContact CG1-CB 4.09Å; V213-I373 HydrophobicContact CG2-CG1 4.39Å
214L90.9Very high90Very high14 Ų1447.1 Ų47.17%0.07325%0.253CS..EExtended strand (participates in β ladder)trans-85.9121.1168.7-68.8151.6000109.2Y212 G216 M218 F361 T363 C371 T372 L374Y212-L214 HydrophobicContact CD2-CD2 4.29Å; Y212-L214 HydrophobicContact CD2-CG 4.12Å; Y212-L214 HydrophobicContact CE2-CD1 4.35Å; Y212-L214 HydrophobicContact CE2-CD2 3.38Å; Y212-L214 HydrophobicContact CE2-CG 3.56Å; L214-G216 PolarHBondContact O-N 3.43Å; L214-M218 HydrophobicContact CD1-CB 4.15Å; L214-M218 HydrophobicContact CD1-SD 4.07Å; L214-F361 HydrophobicContact CD1-CD1 4Å; L214-F361 HydrophobicContact CD1-CE1 3.8Å; L214-F361 HydrophobicContact CD2-CD1 4.14Å; L214-F361 HydrophobicContact CD2-CE1 4.47Å; L214-T363 HydrophobicContact CD2-CG2 3.9Å; L214-C371 WeakPolarHBondContact O-CA 3.46Å; L214-C371 WeakPolarHBondContact O-CB 3.44Å; L214-T372 WeakPolarHBondContact CA-O 3.44Å; L214-T372 VanDerWaalsContact CB-O 3.28Å; L214-T372 WeakPolarHBondContact CB-O 3.44Å; L214-T372 PolarHBondContact N-O 3.05Å; L214-T372 PolarHBondContact O-N 2.91Å; L214-T372 VanDerWaalsContact O-N 3.1Å; L214-L374 HydrophobicContact CD1-CB 4.18Å
215K88.8Confident90Very high129 Ų12946.9 Ų46.956%0.56125%0.246SC*.SBendtrans-73.574.8168-67.1-175.8-179-178.20110.2P368K215-P368 HydrophobicContact CB-CB 4.15Å; K215-P368 HydrophobicContact CB-CG 4.13Å; K215-P368 HydrophobicContact CD-CG 4.44Å; K215-P368 HydrophobicContact CG-CG 4.47Å
216G88.3Confident90.1Very high0 Ų050.8 Ų50.80%027%0.266CS..SBendtrans154.9-155.8-177.900000112.3L214 I362 C371 T372L214-G216 PolarHBondContact O-N 3.43Å; G216-I362 CarbonylContact C-O 3.52Å; G216-I362 VanDerWaalsContact CA-O 3.25Å; G216-I362 WeakPolarHBondContact CA-O 3.29Å; G216-C371 CarbonylContact O-C 3.47Å; G216-C371 WeakPolarHBondContact O-CA 3.38Å; G216-T372 PolarHBondContact O-N 3.3Å; G216-T372 PolarHBondContact O-OG1 3.2Å; G216-T372 VanDerWaalsContact O-OG1 3.12Å
217V91.8Very high90.3Very high2 Ų258.7 Ų58.71%0.01228%0.282CS..EExtended strand (participates in β ladder)trans-119.6131.8-171.7-172.20000111I219 R321 I322 A325 I362 T372V217-I219 HydrophobicContact CG1-CD1 4.44Å; V217-I219 HydrophobicContact CG1-CG1 3.99Å; V217-R321 HydrophobicContact CG1-CB 4.42Å; V217-R321 HydrophobicContact CG2-CB 3.88Å; V217-I322 HydrophobicContact CB-CG1 4.15Å; V217-I322 HydrophobicContact CG1-CG1 3.96Å; V217-I322 HydrophobicContact CG2-CG1 4.27Å; V217-A325 HydrophobicContact CG2-CB 4.05Å; V217-I362 PolarHBondContact N-O 3.14Å; V217-I362 PolarHBondContact O-N 3.36Å; V217-T372 WeakPolarHBondContact CA-OG1 3.27Å
218M92.1Very high90.5Very high0 Ų054.5 Ų54.50%026%0.261CS..EExtended strand (participates in β ladder)trans-111.7135.2171.7175.8-172.6162.200110.7K199 E201 V203 L214 F359 T360 F361 T372 L374K199-M218 PolarHBondContact NZ-O 3.2Å; K199-M218 VanDerWaalsContact NZ-O 3.14Å; E201-M218 HydrophobicContact CB-CE 4.43Å; E201-M218 HydrophobicContact CB-SD 4.28Å; E201-M218 HydrophobicContact CG-CE 3.68Å; E201-M218 HydrophobicContact CG-SD 4.1Å; V203-M218 HydrophobicContact CG2-CE 3.86Å; L214-M218 HydrophobicContact CD1-CB 4.15Å; L214-M218 HydrophobicContact CD1-SD 4.07Å; M218-F359 HydrophobicContact CE-CB 4Å; M218-F359 HydrophobicContact CE-CD1 3.09Å; M218-F359 HydrophobicContact CE-CD2 4.07Å; M218-F359 HydrophobicContact CE-CE1 3.38Å; M218-F359 HydrophobicContact CE-CE2 4.32Å; M218-F359 HydrophobicContact CE-CG 3.46Å; M218-F359 VanDerWaalsContact CE-CG 3.46Å; M218-F359 HydrophobicContact CE-CZ 4.01Å; M218-F359 HydrophobicContact CG-CB 4.43Å; M218-F359 HydrophobicContact CG-CD1 4.25Å; M218-T360 WeakPolarHBondContact CA-O 3.29Å; M218-F361 HydrophobicContact CB-CD1 4.27Å; M218-F361 HydrophobicContact CB-CE1 4.18Å; M218-F361 HydrophobicContact CE-CE1 4.46Å; M218-F361 HydrophobicContact CE-CZ 4.2Å; M218-F361 HydrophobicContact CG-CD1 4.17Å; M218-F361 HydrophobicContact CG-CE1 3.69Å; M218-F361 HydrophobicContact CG-CZ 4.05Å; M218-F361 HydrophobicContact SD-CE1 3.59Å; M218-F361 VanDerWaalsContact SD-CE1 3.59Å; M218-F361 HydrophobicContact SD-CZ 3.92Å; M218-T372 HydrophobicContact CB-CG2 3.78Å; M218-T372 PolarHBondContact N-OG1 3.11Å; M218-T372 VanDerWaalsContact N-OG1 3.12Å; M218-L374 HydrophobicContact CE-CD1 3.81Å; M218-L374 HydrophobicContact SD-CD1 3.9Å
219I93.1Very high90.7Very high4 Ų456.4 Ų56.42%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-134.3132-174.1-48.2170.6000109.1V217 K221 F290 V314 I322 F359 T360V217-I219 HydrophobicContact CG1-CD1 4.44Å; V217-I219 HydrophobicContact CG1-CG1 3.99Å; I219-K221 HydrophobicContact CG2-CB 4.13Å; I219-K221 HydrophobicContact CG2-CG 3.82Å; I219-K221 PolarHBondContact O-N 2.93Å; I219-F290 HydrophobicContact CD1-CD1 4.32Å; I219-F290 HydrophobicContact CD1-CE1 3.85Å; I219-V314 HydrophobicContact CD1-CG1 4.46Å; I219-I322 HydrophobicContact CD1-CD1 3.45Å; I219-I322 VanDerWaalsContact CD1-CD1 3.45Å; I219-I322 HydrophobicContact CD1-CG1 4.15Å; I219-F359 WeakPolarHBondContact O-CA 3.32Å; I219-T360 PolarHBondContact N-O 3.36Å; I219-T360 PolarHBondContact O-N 3.2Å
220N92.1Very high90.9Very high59 Ų5955.4 Ų55.432%0.31626%0.257SS..SBendtrans-80.770.4173.6-165.5-17.1000111.1E357 Y358 F359N220-E357 PolarHBondContact ND2-OE2 3.25Å; N220-Y358 PolarHBondContact OD1-O 3.36Å; N220-F359 HydrophobicContact CB-CD1 3.83Å; N220-F359 HydrophobicContact CB-CE1 3.55Å; N220-F359 HydrophobicContact CB-CZ 4.47Å; N220-F359 VanDerWaalsContact CG-CE1 3.49Å
221K92.1Very high91.1Very high83 Ų8356.2 Ų56.236%0.36126%0.259SS..  trans-146.9143.9175.5-66.6-62168.6-159.80110I219 I311 R313 Y358 T360I219-K221 HydrophobicContact CG2-CB 4.13Å; I219-K221 HydrophobicContact CG2-CG 3.82Å; I219-K221 PolarHBondContact O-N 2.93Å; K221-I311 HydrophobicContact CB-CG2 3.81Å; K221-I311 HydrophobicContact CG-CG2 4.28Å; K221-R313 WeakPolarHBondContact CE-O 3.46Å; K221-Y358 PolarHBondContact N-O 3.03Å; K221-T360 PolarHBondContact O-OG1 2.82Å
222D92.6Very high91.2Very high50 Ų5056.3 Ų56.327%0.26726%0.259SS..  trans-95.9168.8169-1638.1000110.4R230 Y358D222-R230 IonicContact OD1-NH2 3.54Å; D222-R230 IonicContact OD2-NH2 3.58Å; D222-R230 PolarHBondContact OD2-NH2 3.24Å; D222-Y358 HydrophobicContact CB-CD2 4.43Å; D222-Y358 HydrophobicContact CB-CG 4.21Å
223V92.3Very high91.2Very high12 Ų1258.7 Ų58.77%0.07327%0.272CS..  trans-60.7149.5166.7-62.20000110.9M228 R230 T309 V351V223-M228 HydrophobicContact CB-CB 4.24Å; V223-M228 HydrophobicContact CB-SD 4.47Å; V223-M228 HydrophobicContact CG1-CB 4.46Å; V223-R230 HydrophobicContact CG2-CG 4.48Å; V223-T309 HydrophobicContact CB-CG2 4.42Å; V223-T309 HydrophobicContact CG1-CG2 3.57Å; V223-V351 HydrophobicContact CG1-CG2 4.07Å
224T90.2Very high91.1Very high23 Ų2362.7 Ų62.714%0.14129%0.292CS..SBendtrans-74-33.1-178.251.50000113.4M228 I295 Q300 A310 R312T224-M228 VanDerWaalsContact OG1-CE 3.32Å; T224-M228 WeakPolarHBondContact OG1-CE 3.33Å; T224-M228 PolarHBondContact OG1-SD 2.88Å; T224-M228 VanDerWaalsContact OG1-SD 3.41Å; T224-I295 HydrophobicContact CG2-CD1 4.37Å; T224-Q300 PolarHBondContact O-OE1 3.44Å; T224-A310 PolarHBondContact N-O 3.19Å; T224-A310 PolarHBondContact OG1-O 3.49Å; T224-R312 HydrophobicContact CG2-CB 4.08Å; T224-R312 HydrophobicContact CG2-CG 3.72Å
225H90.1Very high91.2Very high57 Ų5762.1 Ų62.126%0.26429%0.289SS..SBendtrans-125.8136.4-176.2-171.6-82.8000112R227 M228 V304H225-R227 VanDerWaalsContact C-N 3.27Å; H225-R227 PolarHBondContact ND1-N 3.32Å; H225-R227 VanDerWaalsContact ND1-N 3.16Å; H225-R227 PolarHBondContact O-N 3.21Å; H225-R227 VanDerWaalsContact O-N 3.16Å; H225-M228 HydrophobicContact CB-CE 3.96Å; H225-M228 HydrophobicContact CB-CG 4.03Å; H225-M228 HydrophobicContact CB-SD 4.1Å; H225-M228 WeakPolarHBondContact O-CB 3.41Å; H225-M228 PolarHBondContact O-N 2.97Å; H225-V304 HydrophobicContact CB-CG2 3.98Å
226P88.3Confident91.4Very high111 Ų11159.3 Ų59.372%0.72128%0.275SS*.THydrogen-bonded Turntrans-60-29.8-174.9-26.234000115.5M228P226-M228 VanDerWaalsContact C-N 3.29Å; P226-M228 PolarHBondContact O-N 2.75Å
227R89Confident91.7Very high210 Ų21059.3 Ų59.379%0.79228%0.275SS*.THydrogen-bonded Turntrans-79.6-5178.2-62.2-178.370.6177.42.3114.1H225 V304H225-R227 VanDerWaalsContact C-N 3.27Å; H225-R227 PolarHBondContact ND1-N 3.32Å; H225-R227 VanDerWaalsContact ND1-N 3.16Å; H225-R227 PolarHBondContact O-N 3.21Å; H225-R227 VanDerWaalsContact O-N 3.16Å; R227-V304 HydrophobicContact CB-CG1 4.34Å
228M91.4Very high91.8Very high11 Ų1159.2 Ų59.25%0.05427%0.274CS..SBendtrans-70.1152.4176.6-72.3178.9176.800111.3V223 T224 H225 P226 R230 Q300 V304 T309 A310V223-M228 HydrophobicContact CB-CB 4.24Å; V223-M228 HydrophobicContact CB-SD 4.47Å; V223-M228 HydrophobicContact CG1-CB 4.46Å; T224-M228 VanDerWaalsContact OG1-CE 3.32Å; T224-M228 WeakPolarHBondContact OG1-CE 3.33Å; T224-M228 PolarHBondContact OG1-SD 2.88Å; T224-M228 VanDerWaalsContact OG1-SD 3.41Å; H225-M228 HydrophobicContact CB-CE 3.96Å; H225-M228 HydrophobicContact CB-CG 4.03Å; H225-M228 HydrophobicContact CB-SD 4.1Å; H225-M228 WeakPolarHBondContact O-CB 3.41Å; H225-M228 PolarHBondContact O-N 2.97Å; P226-M228 VanDerWaalsContact C-N 3.29Å; P226-M228 PolarHBondContact O-N 2.75Å; M228-R230 PolarHBondContact O-N 2.98Å; M228-Q300 HydrophobicContact CE-CB 4.41Å; M228-V304 HydrophobicContact CE-CG2 3.59Å; M228-V304 HydrophobicContact CG-CG2 3.66Å; M228-V304 HydrophobicContact SD-CG2 4.49Å; M228-T309 HydrophobicContact CB-CG2 4.12Å; M228-T309 HydrophobicContact SD-CG2 4.35Å; M228-A310 HydrophobicContact CE-CB 4.05Å; M228-A310 HydrophobicContact SD-CB 4.41Å; M228-A310 PolarHBondContact SD-N 3.3Å; M228-A310 VanDerWaalsContact SD-N 3.41Å
229R91.1Very high92Very high73 Ų7359.2 Ų59.228%0.27527%0.274SS..  trans-71.2125.6-179.7-65-176.8-74.6161.6-0.4109.4I232 D287 N307 T309R229-I232 HydrophobicContact CB-CD1 4.21Å; R229-I232 HydrophobicContact CB-CG1 4.04Å; R229-D287 IonicContact CZ-OD1 3.26Å; R229-D287 IonicContact NH1-OD1 2.72Å; R229-D287 IonicContact NH2-OD1 3.74Å; R229-D287 PolarHBondContact NH2-OD1 3.1Å; R229-N307 VanDerWaalsContact CD-OD1 3.27Å; R229-N307 WeakPolarHBondContact CD-OD1 3.25Å; R229-N307 PolarHBondContact NE-ND2 2.7Å; R229-N307 PolarHBondContact NE-O 2.88Å; R229-N307 PolarHBondContact NE-OD1 2.85Å; R229-N307 PolarHBondContact NH2-O 3.46Å; R229-T309 PolarHBondContact N-OG1 3.44Å; R229-T309 PolarHBondContact O-OG1 3.21Å
230R91.7Very high92Very high100 Ų10059 Ų5938%0.37727%0.273SS..SBendtrans-88.9-12.8177.1-72.4-177.2165.4-174.3-9.2114.1D222 V223 M228 E350 V351D222-R230 IonicContact OD1-NH2 3.54Å; D222-R230 IonicContact OD2-NH2 3.58Å; D222-R230 PolarHBondContact OD2-NH2 3.24Å; V223-R230 HydrophobicContact CG2-CG 4.48Å; M228-R230 PolarHBondContact O-N 2.98Å; R230-E350 CarbonylContact O-C 3.59Å; R230-E350 WeakPolarHBondContact O-CA 3.48Å; R230-V351 HydrophobicContact CB-CB 4.27Å; R230-V351 HydrophobicContact CG-CB 4.33Å; R230-V351 PolarHBondContact O-N 2.87Å
231M92.8Very high92.1Very high100 Ų10058.4 Ų58.449%0.49327%0.27SS..EExtended strand (participates in β ladder)trans-137.3126.8178.9-175.5-178.6-83.700110.2M348 F349 E350M231-M348 HydrophobicContact CE-CE 4.12Å; M231-M348 HydrophobicContact CG-CE 3.82Å; M231-M348 HydrophobicContact CG-SD 4.03Å; M231-M348 HydrophobicContact SD-CE 3.71Å; M231-F349 CarbonylContact C-O 3.45Å; M231-F349 VanDerWaalsContact CA-O 3.27Å; M231-F349 WeakPolarHBondContact CA-O 3.16Å; M231-E350 VanDerWaalsContact CE-CD 3.44Å; M231-E350 HydrophobicContact CE-CG 3.83Å; M231-E350 VanDerWaalsContact CE-OE1 3.3Å; M231-E350 WeakPolarHBondContact CE-OE1 3.3Å
232I93Very high92Very high8 Ų854.7 Ų54.74%0.04126%0.255CS..EExtended strand (participates in β ladder)trans-140.7124-179-53.3172.8000108.8R229 P235 D287 L288 F349R229-I232 HydrophobicContact CB-CD1 4.21Å; R229-I232 HydrophobicContact CB-CG1 4.04Å; I232-P235 HydrophobicContact CB-CB 4.31Å; I232-P235 HydrophobicContact CG2-CB 3.88Å; I232-D287 HydrophobicContact CD1-CB 4.25Å; I232-D287 HydrophobicContact CG2-CB 4.14Å; I232-L288 HydrophobicContact CD1-CD2 4.12Å; I232-L288 HydrophobicContact CD1-CG 4.05Å; I232-F349 HydrophobicContact CB-CB 4.32Å; I232-F349 HydrophobicContact CB-CD1 4.39Å; I232-F349 HydrophobicContact CD1-CD1 4.2Å; I232-F349 HydrophobicContact CG1-CD1 4.16Å; I232-F349 PolarHBondContact N-O 3.37Å; I232-F349 PolarHBondContact O-N 3.3Å
233K91.5Very high91.9Very high159 Ų15953.1 Ų53.169%0.69125%0.247SC*.EExtended strand (participates in β ladder)trans-85.5137.7172.9-67.8-175.4177.6-173.20110M348K233-M348 HydrophobicContact CB-SD 4.41Å; K233-M348 HydrophobicContact CG-CE 4.06Å; K233-M348 HydrophobicContact CG-SD 3.63Å
234N90.2Very high91.9Very high112 Ų11252.6 Ų52.660%0.59924%0.244SC*.SBendtrans45.258.5-176.9-61.5-46.8000113.2G347N234-G347 PolarHBondContact N-O 2.95Å
235P92.4Very high91.9Very high1 Ų155 Ų551%0.00625%0.253CS..  trans-69.7142-17430-36.2000112.4I232 I237 D287 L288 A346 F349I232-P235 HydrophobicContact CB-CB 4.31Å; I232-P235 HydrophobicContact CG2-CB 3.88Å; P235-I237 HydrophobicContact CB-CG1 4.27Å; P235-I237 HydrophobicContact CG-CD1 4.16Å; P235-I237 HydrophobicContact CG-CG1 4.24Å; P235-D287 HydrophobicContact CB-CB 4.35Å; P235-L288 HydrophobicContact CB-CD1 3.41Å; P235-L288 VanDerWaalsContact CB-CD1 3.41Å; P235-L288 HydrophobicContact CB-CG 4.16Å; P235-L288 HydrophobicContact CG-CD1 3.84Å; P235-A346 HydrophobicContact CG-CB 3.96Å; P235-F349 HydrophobicContact CB-CB 4.42Å; P235-F349 HydrophobicContact CG-CB 3.99Å
236R93.5Very high91.8Very high70 Ų7056.9 Ų56.926%0.26426%0.259SS..  trans-85113.1166.4-58.9-177.572.3-156.35109.8L284 K285 D287 L288 I342 L344R236-L284 PolarHBondContact NH1-O 3.04Å; R236-L284 PolarHBondContact NH2-O 3.44Å; R236-K285 PolarHBondContact NH1-O 3.14Å; R236-D287 PolarHBondContact N-OD2 2.99Å; R236-D287 PolarHBondContact O-N 3.37Å; R236-L288 PolarHBondContact O-N 3.43Å; R236-I342 HydrophobicContact CB-CG2 3.9Å; R236-I342 VanDerWaalsContact NH2-CD1 3.27Å; R236-L344 HydrophobicContact CB-CD2 4.45Å; R236-L344 HydrophobicContact CG-CD2 3.79Å
237I93.8Very high91.6Very high0 Ų055.9 Ų55.90%024%0.243CC..EExtended strand (participates in β ladder)trans-106.5131-170.4-61.1167.1000110.8P235 L239 L288 F290 I322 C326 G343 A346 I362P235-I237 HydrophobicContact CB-CG1 4.27Å; P235-I237 HydrophobicContact CG-CD1 4.16Å; P235-I237 HydrophobicContact CG-CG1 4.24Å; I237-L239 HydrophobicContact CG2-CD2 3.77Å; I237-L239 HydrophobicContact CG2-CG 4.36Å; I237-L288 HydrophobicContact CG1-CB 4.06Å; I237-L288 HydrophobicContact CG1-CD1 4.04Å; I237-F290 HydrophobicContact CG2-CD2 3.68Å; I237-F290 HydrophobicContact CG2-CE2 3.77Å; I237-I322 HydrophobicContact CG2-CG2 4.4Å; I237-C326 HydrophobicContact CD1-CB 4.07Å; I237-C326 WeakPolarHBondContact CD1-SG 3.5Å; I237-G343 PolarHBondContact N-O 3.36Å; I237-G343 PolarHBondContact O-N 3.49Å; I237-A346 HydrophobicContact CD1-CB 3.51Å; I237-I362 HydrophobicContact CD1-CG2 4.25Å
238I94.9Very high91.3Very high1 Ų154.7 Ų54.71%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-114138.2168.3-65.7-177.2000109.6L240 L284 P286 L288 V289 F290 L337 I342I238-L240 HydrophobicContact CG2-CD2 3.99Å; I238-L240 HydrophobicContact CG2-CG 4Å; I238-L284 HydrophobicContact CD1-CB 4.39Å; I238-L284 HydrophobicContact CD1-CD1 4.16Å; I238-P286 HydrophobicContact CD1-CB 3.63Å; I238-P286 HydrophobicContact CD1-CG 3.71Å; I238-P286 HydrophobicContact CG1-CB 3.83Å; I238-P286 HydrophobicContact CG1-CG 4.39Å; I238-L288 PolarHBondContact N-O 3.36Å; I238-V289 HydrophobicContact CB-CG2 4.47Å; I238-V289 WeakPolarHBondContact O-CA 3.42Å; I238-F290 PolarHBondContact O-N 3.41Å; I238-L337 HydrophobicContact CG2-CD2 3.88Å; I238-I342 HydrophobicContact CD1-CG1 4.39Å; I238-I342 HydrophobicContact CG1-CG1 4.19Å
239L94.9Very high90.9Very high0 Ų056.4 Ų56.40%027%0.265CS..EExtended strand (participates in β ladder)trans-116.2126.2178.4-56.3-177.9000110.3I237 F290 N319 I322 A323 A328 I330 V331I237-L239 HydrophobicContact CG2-CD2 3.77Å; I237-L239 HydrophobicContact CG2-CG 4.36Å; L239-F290 HydrophobicContact CD2-CB 3.68Å; L239-F290 HydrophobicContact CD2-CD2 3.7Å; L239-F290 HydrophobicContact CD2-CG 3.99Å; L239-N319 WeakPolarHBondContact CD2-OD1 3.18Å; L239-I322 HydrophobicContact CD1-CB 4.21Å; L239-I322 HydrophobicContact CD1-CG2 4.17Å; L239-I322 HydrophobicContact CD2-CB 4.23Å; L239-I322 HydrophobicContact CD2-CG2 3.73Å; L239-A323 HydrophobicContact CD1-CB 3.54Å; L239-A328 HydrophobicContact CD1-CB 3.76Å; L239-A328 HydrophobicContact CG-CB 3.88Å; L239-I330 HydrophobicContact CB-CG1 4.04Å; L239-I330 HydrophobicContact CD1-CG1 4.06Å; L239-V331 PolarHBondContact O-N 2.87Å
240L94.2Very high90.6Very high0 Ų062.9 Ų62.90%030%0.298CS..EExtended strand (participates in β ladder)trans-125.5136.7-176-62.7175.5000111.8I238 L244 I281 V289 F290 T291 E292 V331 T334 L337I238-L240 HydrophobicContact CG2-CD2 3.99Å; I238-L240 HydrophobicContact CG2-CG 4Å; L240-L244 HydrophobicContact CD1-CD2 4.1Å; L240-I281 HydrophobicContact CD1-CD1 3.85Å; L240-I281 HydrophobicContact CD1-CG1 4.48Å; L240-V289 HydrophobicContact CD1-CG1 3.81Å; L240-V289 HydrophobicContact CG-CG1 4.45Å; L240-F290 PolarHBondContact N-O 2.9Å; L240-T291 HydrophobicContact CB-CG2 4.2Å; L240-T291 HydrophobicContact CD1-CG2 4.24Å; L240-T291 WeakPolarHBondContact O-CA 3.48Å; L240-E292 PolarHBondContact O-N 2.63Å; L240-V331 WeakPolarHBondContact CA-O 3.44Å; L240-V331 HydrophobicContact CD2-CB 4.38Å; L240-T334 HydrophobicContact CD1-CG2 4.26Å; L240-L337 HydrophobicContact CD2-CD1 4.29Å; L240-L337 HydrophobicContact CD2-CD2 3.94Å; L240-L337 HydrophobicContact CD2-CG 4.46Å
241D93.4Very high90.5Very high45 Ų4562.7 Ų62.724%0.24131%0.312CS..SBendtrans-91.3-13.8168-172.79.2000111.5K293 I330 V331D241-K293 WeakPolarHBondContact O-CE 3.16Å; D241-I330 HydrophobicContact CB-CG2 4.24Å; D241-V331 PolarHBondContact N-O 3.31Å
242C90.5Very high90Very high6 Ų666.9 Ų66.94%0.04133%0.331CS..SBendtrans-77.6156.3174.753.80000113.6S332C242-S332 VanDerWaalsContact CB-O 3.27Å; C242-S332 WeakPolarHBondContact CB-O 3.45Å
243S91.6Very high89.5Confident16 Ų1670.8 Ų70.811%0.11236%0.355CS..  trans-81.1144.3162.549.80000110.2E245 K247S243-E245 PolarHBondContact O-N 3.34Å; S243-K247 VanDerWaalsContact OG-CE 3.23Å; S243-K247 WeakPolarHBondContact OG-CE 3.16Å
244L91.3Very high89.1Confident1 Ų170.2 Ų70.21%0.00536%0.359CS..BIsolated β-bridgetrans-95.452.1169.6-56.6177.3000109.3L240 I277 I281 T291 G294 I295 S296 A299 L303 T334L240-L244 HydrophobicContact CD1-CD2 4.1Å; L244-I277 HydrophobicContact CD2-CG2 3.4Å; L244-I281 HydrophobicContact CD1-CD1 4.12Å; L244-I281 HydrophobicContact CD2-CD1 3.68Å; L244-T291 HydrophobicContact CD1-CG2 3.81Å; L244-T291 HydrophobicContact CG-CG2 3.96Å; L244-G294 PolarHBondContact N-O 3.35Å; L244-I295 HydrophobicContact CB-CB 4.42Å; L244-I295 HydrophobicContact CB-CG1 4.36Å; L244-I295 HydrophobicContact CB-CG2 4.09Å; L244-I295 HydrophobicContact CD1-CD1 4.24Å; L244-I295 HydrophobicContact CD1-CG1 4.11Å; L244-I295 HydrophobicContact CD1-CG2 4.16Å; L244-I295 HydrophobicContact CG-CG1 4.47Å; L244-S296 WeakPolarHBondContact O-CB 3.49Å; L244-S296 PolarHBondContact O-N 3.29Å; L244-A299 HydrophobicContact CB-CB 4.17Å; L244-L303 HydrophobicContact CD1-CD1 4.12Å; L244-T334 HydrophobicContact CD2-CG2 4.26Å
245E90.8Very high88.8Confident73 Ų7369.8 Ų69.834%0.34136%0.356SS..SBendtrans-134.1154.9-176.9-67.6173.3-175.200108S243 K247 G294 I295S243-E245 PolarHBondContact O-N 3.34Å; E245-K247 PolarHBondContact O-N 3.06Å; E245-G294 WeakPolarHBondContact OE1-CA 3.24Å; E245-I295 PolarHBondContact OE1-N 2.92Å
246Y88.3Confident88.5Confident97 Ų9778 Ų7838%0.3839%0.394SS..PPolyproline II helixtrans-60.1127.6174.9-178.9-101.6000110.5E270 Y273Y246-E270 HydrophobicContact CD2-CB 4.34Å; Y246-E270 HydrophobicContact CD2-CG 4.13Å; Y246-E270 HydrophobicContact CG-CG 3.99Å; Y246-Y273 AromaticContact CD2-CD1 3.72Å; Y246-Y273 HydrophobicContact CD2-CD1 3.72Å; Y246-Y273 HydrophobicContact CD2-CE1 4.37Å; Y246-Y273 HydrophobicContact CD2-CG 4.06Å; Y246-Y273 HydrophobicContact CE2-CD1 4.48Å; Y246-Y273 HydrophobicContact CE2-CG 4.45Å
247K83.6Confident88.3Confident90 Ų9078.9 Ų78.939%0.39140%0.403SS..PPolyproline II helixtrans-103.6132178.1-67.4-179.4-175.8172.80109S243 E245S243-K247 VanDerWaalsContact OG-CE 3.23Å; S243-K247 WeakPolarHBondContact OG-CE 3.16Å; E245-K247 PolarHBondContact O-N 3.06Å
248K83.4Confident88Confident185 Ų18584.3 Ų84.380%0.80444%0.437SS*.PPolyproline II helixtrans-70.9148.7167.3-61.6-174.1179.3-173.70109.2
249G81.4Confident87.8Confident48 Ų4890.6 Ų90.650%0.49546%0.464SS..PPolyproline II helixtrans-58144.817200000111S251G249-S251 VanDerWaalsContact C-N 3.26Å
250E85.3Confident87.4Confident208 Ų20899.5 Ų99.597%0.97251%0.506SS*.SBendtrans-70.8-25.9176.9-65.3-176.3167.600112
251S90.1Very high87.1Confident96 Ų96105.8 Ų105.867%0.67154%0.535SS*.SBendtrans-77.5155.3171.7-55.20000111.6G249 T253G249-S251 VanDerWaalsContact C-N 3.26Å; S251-T253 PolarHBondContact O-N 3.38Å; S251-T253 PolarHBondContact O-OG1 3.03Å
252Q82.9Confident86.8Confident189 Ų189105 Ų10588%0.88353%0.531SS*.  trans-55.2107.7171.8-72.9-177.3-19.900109.1
253T81.6Confident86.6Confident90 Ų90110.4 Ų110.455%0.55255%0.554SS**  trans-115.493.7-177.5-48.10000107.1S251S251-T253 PolarHBondContact O-N 3.38Å; S251-T253 PolarHBondContact O-OG1 3.03Å
254D84.1Confident86.5Confident146 Ų146112 Ų11278%0.78157%0.568SS**  trans-89.8126.7175.6-66.3-35.7000109.2
255I82.5Confident86.3Confident104 Ų104117.9 Ų117.953%0.53359%0.59SS.*  trans-110.5108.6-179.4-56.3175.7000107.4I257 I266I255-I257 HydrophobicContact CG2-CG1 4.1Å; I255-I266 HydrophobicContact CG2-CD1 3.68Å
256E86.4Confident86.2Confident172 Ų172117 Ų11780%0.80459%0.587SS**  trans-92115.7173.3-69.1-173.9172.800110.1
257I88.4Confident86.2Confident89 Ų89116.2 Ų116.246%0.45659%0.589SS.*  trans-100.2111.5179.1-54177.1000107.7I255 D262 F263 I266I255-I257 HydrophobicContact CG2-CG1 4.1Å; I257-D262 HydrophobicContact CG2-CB 4.36Å; I257-F263 HydrophobicContact CD1-CD2 4.23Å; I257-I266 HydrophobicContact CD1-CD1 3.81Å; I257-I266 HydrophobicContact CG1-CD1 3.93Å
258T88.4Confident86.5Confident115 Ų115117.9 Ų117.971%0.70660%0.596SS**  trans-110.1-32.6179.657.30000112.8
259K90.5Very high86.7Confident132 Ų132114.6 Ų114.657%0.57459%0.585SS**SBendtrans-112.1149178.2-57.7177-178.8177.60111.1E261 D262K259-E261 PolarHBondContact O-N 3.5Å; K259-D262 WeakPolarHBondContact CB-OD2 3.44Å; K259-D262 PolarHBondContact N-OD2 3.49Å; K259-D262 WeakPolarHBondContact O-CB 3.4Å; K259-D262 PolarHBondContact O-N 3.1Å; K259-D262 VanDerWaalsContact O-N 3.07Å
260E86Confident87.1Confident188 Ų188115.5 Ų115.588%0.87958%0.577SS**Hα-helixtrans-59.2-33.3174.8-68.2-179173.100112.4D262 F263E260-D262 VanDerWaalsContact C-N 3.27Å; E260-D262 PolarHBondContact O-N 3.41Å; E260-F263 WeakPolarHBondContact O-CB 3.24Å; E260-F263 PolarHBondContact O-N 3.04Å
261E88.7Confident87.3Confident132 Ų132109.9 Ų109.962%0.61755%0.55SS**Hα-helixtrans-64.8-27.9176.5-64.2-179178.600113.7K259 F263 A264 R265K259-E261 PolarHBondContact O-N 3.5Å; E261-F263 VanDerWaalsContact C-N 3.27Å; E261-F263 PolarHBondContact O-N 3.02Å; E261-A264 PolarHBondContact O-N 3.39Å; E261-R265 PolarHBondContact O-N 3.07Å; E261-R265 VanDerWaalsContact O-N 3.13Å; E261-R265 IonicContact OE2-NH2 3.76Å
262D88Confident87.4Confident27 Ų27110.5 Ų110.514%0.14454%0.543CS..Hα-helixtrans-68.7-31.8-178.6-60.5-33.4000110.4I257 K259 E260 R265 I266I257-D262 HydrophobicContact CG2-CB 4.36Å; K259-D262 WeakPolarHBondContact CB-OD2 3.44Å; K259-D262 PolarHBondContact N-OD2 3.49Å; K259-D262 WeakPolarHBondContact O-CB 3.4Å; K259-D262 PolarHBondContact O-N 3.1Å; K259-D262 VanDerWaalsContact O-N 3.07Å; E260-D262 VanDerWaalsContact C-N 3.27Å; E260-D262 PolarHBondContact O-N 3.41Å; D262-R265 PolarHBondContact O-N 2.96Å; D262-R265 IonicContact OD1-CZ 3.17Å; D262-R265 IonicContact OD1-NH1 3.88Å; D262-R265 PolarHBondContact OD1-NH1 3.36Å; D262-R265 IonicContact OD1-NH2 2.74Å; D262-R265 PolarHBondContact OD1-NH2 3.3Å; D262-I266 WeakPolarHBondContact O-CG1 3.31Å; D262-I266 PolarHBondContact O-N 3.36Å
263F85.4Confident87.8Confident120 Ų120105.1 Ų105.153%0.52652%0.515SS..Hα-helixtrans-62.6-43.4173.9-167.8-98.8000111.8I257 E260 E261 R265 I266 L267I257-F263 HydrophobicContact CD1-CD2 4.23Å; E260-F263 WeakPolarHBondContact O-CB 3.24Å; E260-F263 PolarHBondContact O-N 3.04Å; E261-F263 VanDerWaalsContact C-N 3.27Å; E261-F263 PolarHBondContact O-N 3.02Å; F263-R265 VanDerWaalsContact C-N 3.32Å; F263-R265 PolarHBondContact O-N 3.01Å; F263-I266 PolarHBondContact O-N 2.93Å; F263-L267 HydrophobicContact CD1-CD1 3.92Å; F263-L267 HydrophobicContact CE1-CD1 3.71Å; F263-L267 HydrophobicContact CE1-CG 4.35Å; F263-L267 PolarHBondContact O-N 2.98Å
264A89.1Confident88.3Confident50 Ų50101 Ų10141%0.41349%0.489SS..Hα-helixtrans-66.3-33.3176.500000112.5E261 K268E261-A264 PolarHBondContact O-N 3.39Å; A264-K268 WeakPolarHBondContact O-CG 3.44Å; A264-K268 PolarHBondContact O-N 2.85Å; A264-K268 VanDerWaalsContact O-N 3.15Å
265R87.9Confident88.7Confident125 Ų12597.4 Ų97.447%0.47247%0.468SS..Hα-helixtrans-67.6-41.2174.3-72.8-168.9-127.1120.314.2112E261 D262 F263 L267 K268 M269E261-R265 PolarHBondContact O-N 3.07Å; E261-R265 VanDerWaalsContact O-N 3.13Å; E261-R265 IonicContact OE2-NH2 3.76Å; D262-R265 PolarHBondContact O-N 2.96Å; D262-R265 IonicContact OD1-CZ 3.17Å; D262-R265 IonicContact OD1-NH1 3.88Å; D262-R265 PolarHBondContact OD1-NH1 3.36Å; D262-R265 IonicContact OD1-NH2 2.74Å; D262-R265 PolarHBondContact OD1-NH2 3.3Å; F263-R265 VanDerWaalsContact C-N 3.32Å; F263-R265 PolarHBondContact O-N 3.01Å; R265-L267 VanDerWaalsContact C-N 3.34Å; R265-L267 PolarHBondContact O-N 3.33Å; R265-K268 PolarHBondContact O-N 3.36Å; R265-M269 WeakPolarHBondContact O-CG 3.39Å; R265-M269 PolarHBondContact O-N 3Å
266I87.3Confident89.2Confident54 Ų5498 Ų9828%0.27747%0.468SS..Hα-helixtrans-60.8-44.6177.6-67.4161.6000110.8I255 I257 D262 F263 K268 M269 E270I255-I266 HydrophobicContact CG2-CD1 3.68Å; I257-I266 HydrophobicContact CD1-CD1 3.81Å; I257-I266 HydrophobicContact CG1-CD1 3.93Å; D262-I266 WeakPolarHBondContact O-CG1 3.31Å; D262-I266 PolarHBondContact O-N 3.36Å; F263-I266 PolarHBondContact O-N 2.93Å; I266-K268 VanDerWaalsContact C-N 3.35Å; I266-K268 PolarHBondContact O-N 3.11Å; I266-M269 PolarHBondContact O-N 2.93Å; I266-E270 PolarHBondContact O-N 3.48Å
267L88.2Confident89.5Confident80 Ų8090.2 Ų90.242%0.41943%0.432SS..Hα-helixtrans-60.3-43.5176.1-71.1170.1000112F263 R265 M269 E270 E271F263-L267 HydrophobicContact CD1-CD1 3.92Å; F263-L267 HydrophobicContact CE1-CD1 3.71Å; F263-L267 HydrophobicContact CE1-CG 4.35Å; F263-L267 PolarHBondContact O-N 2.98Å; R265-L267 VanDerWaalsContact C-N 3.34Å; R265-L267 PolarHBondContact O-N 3.33Å; L267-M269 PolarHBondContact O-N 3.39Å; L267-E270 WeakPolarHBondContact O-CB 3.26Å; L267-E270 PolarHBondContact O-N 3.17Å; L267-E271 WeakPolarHBondContact O-CG 3.34Å; L267-E271 PolarHBondContact O-N 3.16Å
268K90.2Very high89.7Confident125 Ų12586 Ų8654%0.54341%0.411SS..Hα-helixtrans-62.5-41.4175.4-74178.5-179.3-177.70112.4A264 R265 I266 E270 E271 E272A264-K268 WeakPolarHBondContact O-CG 3.44Å; A264-K268 PolarHBondContact O-N 2.85Å; A264-K268 VanDerWaalsContact O-N 3.15Å; R265-K268 PolarHBondContact O-N 3.36Å; I266-K268 VanDerWaalsContact C-N 3.35Å; I266-K268 PolarHBondContact O-N 3.11Å; K268-E270 VanDerWaalsContact C-N 3.29Å; K268-E270 PolarHBondContact O-N 3.36Å; K268-E271 PolarHBondContact O-N 2.74Å; K268-E272 WeakPolarHBondContact O-CB 3.26Å; K268-E272 VanDerWaalsContact O-CG 3.3Å; K268-E272 WeakPolarHBondContact O-CG 3.41Å; K268-E272 PolarHBondContact O-N 3.01Å
269M88.6Confident89.9Confident116 Ų11685.4 Ų85.457%0.57140%0.4SS*.Hα-helixtrans-62.3-38.2176.8-72.1179.567.700112R265 I266 L267 Y273R265-M269 WeakPolarHBondContact O-CG 3.39Å; R265-M269 PolarHBondContact O-N 3Å; I266-M269 PolarHBondContact O-N 2.93Å; L267-M269 PolarHBondContact O-N 3.39Å; M269-Y273 WeakPolarHBondContact O-CB 3.41Å; M269-Y273 PolarHBondContact O-N 3.3Å
270E89.3Confident90Very high68 Ų6880.4 Ų80.432%0.31838%0.38SS..Hα-helixtrans-63.7-46174.1-178.4171.9-172.700111.6Y246 I266 L267 K268 Y273 I274Y246-E270 HydrophobicContact CD2-CB 4.34Å; Y246-E270 HydrophobicContact CD2-CG 4.13Å; Y246-E270 HydrophobicContact CG-CG 3.99Å; I266-E270 PolarHBondContact O-N 3.48Å; L267-E270 WeakPolarHBondContact O-CB 3.26Å; L267-E270 PolarHBondContact O-N 3.17Å; K268-E270 VanDerWaalsContact C-N 3.29Å; K268-E270 PolarHBondContact O-N 3.36Å; E270-Y273 PolarHBondContact O-N 3.39Å; E270-I274 HydrophobicContact CG-CD1 4.18Å; E270-I274 WeakPolarHBondContact O-CG1 3.49Å; E270-I274 PolarHBondContact O-N 3Å; E270-I274 VanDerWaalsContact O-N 3.1Å
271E90.5Very high90.3Very high90 Ų9071.5 Ų71.542%0.42134%0.338SS..Hα-helixtrans-62-46.1176.7-73-178.7170.800112.2L267 K268 Y273 I274 Q275 L298L267-E271 WeakPolarHBondContact O-CG 3.34Å; L267-E271 PolarHBondContact O-N 3.16Å; K268-E271 PolarHBondContact O-N 2.74Å; E271-Y273 PolarHBondContact O-N 3.32Å; E271-I274 PolarHBondContact O-N 3.45Å; E271-Q275 VanDerWaalsContact O-CB 3.3Å; E271-Q275 WeakPolarHBondContact O-CB 3.42Å; E271-Q275 PolarHBondContact O-N 2.58Å; E271-L298 HydrophobicContact CG-CD1 4.03Å
272E91.7Very high90.5Very high109 Ų10967.8 Ų67.851%0.50932%0.322SS..Hα-helixtrans-61.5-42.2178-75.8173.2-170.900111.5K268 Q275 Q276K268-E272 WeakPolarHBondContact O-CB 3.26Å; K268-E272 VanDerWaalsContact O-CG 3.3Å; K268-E272 WeakPolarHBondContact O-CG 3.41Å; K268-E272 PolarHBondContact O-N 3.01Å; E272-Q275 PolarHBondContact O-N 3.22Å; E272-Q276 WeakPolarHBondContact O-CG 3.34Å; E272-Q276 PolarHBondContact O-N 2.91Å
273Y91.5Very high90.7Very high76 Ų7673.2 Ų73.230%0.29834%0.34SS..Hα-helixtrans-62.2-46.6176.9-179.4-101.7000111.9Y246 M269 E270 E271 Q275 Q276 I277Y246-Y273 AromaticContact CD2-CD1 3.72Å; Y246-Y273 HydrophobicContact CD2-CD1 3.72Å; Y246-Y273 HydrophobicContact CD2-CE1 4.37Å; Y246-Y273 HydrophobicContact CD2-CG 4.06Å; Y246-Y273 HydrophobicContact CE2-CD1 4.48Å; Y246-Y273 HydrophobicContact CE2-CG 4.45Å; M269-Y273 WeakPolarHBondContact O-CB 3.41Å; M269-Y273 PolarHBondContact O-N 3.3Å; E270-Y273 PolarHBondContact O-N 3.39Å; E271-Y273 PolarHBondContact O-N 3.32Å; Y273-Q275 VanDerWaalsContact C-N 3.3Å; Y273-Q275 PolarHBondContact O-N 3.34Å; Y273-Q276 PolarHBondContact O-N 3.44Å; Y273-I277 HydrophobicContact CD1-CD1 3.79Å; Y273-I277 HydrophobicContact CE1-CD1 3.25Å; Y273-I277 HydrophobicContact CE1-CG1 4.4Å; Y273-I277 HydrophobicContact CE2-CD1 4.23Å; Y273-I277 HydrophobicContact CG-CD1 4.48Å; Y273-I277 WeakPolarHBondContact O-CG1 3.48Å; Y273-I277 PolarHBondContact O-N 3.04Å; Y273-I277 VanDerWaalsContact O-N 3.17Å
274I92.6Very high90.9Very high2 Ų268.1 Ų68.11%0.0132%0.318CS..Hα-helixtrans-65.3-38.2177.7-67.9170.5000110.6E270 E271 C278 L298 A299 Y302E270-I274 HydrophobicContact CG-CD1 4.18Å; E270-I274 WeakPolarHBondContact O-CG1 3.49Å; E270-I274 PolarHBondContact O-N 3Å; E270-I274 VanDerWaalsContact O-N 3.1Å; E271-I274 PolarHBondContact O-N 3.45Å; I274-C278 PolarHBondContact O-N 3.01Å; I274-C278 PolarHBondContact O-SG 3.46Å; I274-L298 HydrophobicContact CD1-CB 4.16Å; I274-L298 HydrophobicContact CD1-CD1 3.9Å; I274-L298 HydrophobicContact CG2-CB 4.06Å; I274-A299 HydrophobicContact CG2-CB 3.79Å; I274-Y302 HydrophobicContact CG2-CD2 4.43Å
275Q92.3Very high91Very high71 Ų7173.3 Ų73.333%0.33233%0.332SS..Hα-helixtrans-62.5-47.1176.7-176.3179-11.900111.3E271 E272 Y273 I277 C278 E279 Y302E271-Q275 VanDerWaalsContact O-CB 3.3Å; E271-Q275 WeakPolarHBondContact O-CB 3.42Å; E271-Q275 PolarHBondContact O-N 2.58Å; E272-Q275 PolarHBondContact O-N 3.22Å; Y273-Q275 VanDerWaalsContact C-N 3.3Å; Y273-Q275 PolarHBondContact O-N 3.34Å; Q275-I277 PolarHBondContact O-N 3.05Å; Q275-C278 PolarHBondContact O-N 3.48Å; Q275-C278 VanDerWaalsContact O-N 3.16Å; Q275-E279 HydrophobicContact CG-CG 4.35Å; Q275-E279 WeakPolarHBondContact CG-OE1 3.06Å; Q275-E279 PolarHBondContact NE2-OE1 3.02Å; Q275-E279 WeakPolarHBondContact O-CB 3.49Å; Q275-E279 WeakPolarHBondContact O-CG 3.35Å; Q275-E279 PolarHBondContact O-N 2.66Å; Q275-Y302 HydrophobicContact CB-CE2 4.31Å
276Q91.9Very high91.3Very high116 Ų11667.6 Ų67.654%0.54231%0.311SS..Hα-helixtrans-57.5-48.3177.6-75.7175.61.700112E272 Y273 C278 E279 D280E272-Q276 WeakPolarHBondContact O-CG 3.34Å; E272-Q276 PolarHBondContact O-N 2.91Å; Y273-Q276 PolarHBondContact O-N 3.44Å; Q276-C278 VanDerWaalsContact C-N 3.28Å; Q276-C278 PolarHBondContact O-N 3.29Å; Q276-E279 PolarHBondContact O-N 2.88Å; Q276-E279 VanDerWaalsContact O-N 3.14Å; Q276-D280 PolarHBondContact O-N 3.45Å
277I92.9Very high91.6Very high10 Ų1066.8 Ų66.85%0.05131%0.307CS..Hα-helixtrans-58.1-42.6177-70.4175.8000111.2L244 Y273 Q275 I281 T334L244-I277 HydrophobicContact CD2-CG2 3.4Å; Y273-I277 HydrophobicContact CD1-CD1 3.79Å; Y273-I277 HydrophobicContact CE1-CD1 3.25Å; Y273-I277 HydrophobicContact CE1-CG1 4.4Å; Y273-I277 HydrophobicContact CE2-CD1 4.23Å; Y273-I277 HydrophobicContact CG-CD1 4.48Å; Y273-I277 WeakPolarHBondContact O-CG1 3.48Å; Y273-I277 PolarHBondContact O-N 3.04Å; Y273-I277 VanDerWaalsContact O-N 3.17Å; Q275-I277 PolarHBondContact O-N 3.05Å; I277-I281 WeakPolarHBondContact O-CG1 3.49Å; I277-I281 PolarHBondContact O-N 3.24Å; I277-T334 HydrophobicContact CG2-CG2 3.79Å
278C92.9Very high91.8Very high1 Ų163 Ų631%0.00729%0.287CS..Hα-helixtrans-68.4-39.6177.9-67.20000111.5I274 Q275 Q276 D280 I281 I282I274-C278 PolarHBondContact O-N 3.01Å; I274-C278 PolarHBondContact O-SG 3.46Å; Q275-C278 PolarHBondContact O-N 3.48Å; Q275-C278 VanDerWaalsContact O-N 3.16Å; Q276-C278 VanDerWaalsContact C-N 3.28Å; Q276-C278 PolarHBondContact O-N 3.29Å; C278-D280 VanDerWaalsContact C-N 3.35Å; C278-D280 PolarHBondContact O-N 3.26Å; C278-I281 PolarHBondContact O-N 3.49Å; C278-I282 HydrophobicContact CB-CD1 4.3Å; C278-I282 WeakPolarHBondContact O-CB 3.27Å; C278-I282 WeakPolarHBondContact O-CD1 3.12Å; C278-I282 WeakPolarHBondContact O-CG1 3.34Å; C278-I282 PolarHBondContact O-N 3.35Å
279E92.9Very high92Very high101 Ų10157.1 Ų57.147%0.47226%0.261SS..Hα-helixtrans-61.9-40.1177.9-78.2178.5-172.300112.1Q275 Q276 I281 I282 R283Q275-E279 HydrophobicContact CG-CG 4.35Å; Q275-E279 WeakPolarHBondContact CG-OE1 3.06Å; Q275-E279 PolarHBondContact NE2-OE1 3.02Å; Q275-E279 WeakPolarHBondContact O-CB 3.49Å; Q275-E279 WeakPolarHBondContact O-CG 3.35Å; Q275-E279 PolarHBondContact O-N 2.66Å; Q276-E279 PolarHBondContact O-N 2.88Å; Q276-E279 VanDerWaalsContact O-N 3.14Å; E279-I281 VanDerWaalsContact C-N 3.3Å; E279-I281 PolarHBondContact O-N 3.39Å; E279-I282 PolarHBondContact O-N 3.24Å; E279-R283 WeakPolarHBondContact O-CB 3.33Å; E279-R283 PolarHBondContact O-N 2.86Å
280D92.1Very high92.4Very high28 Ų2851.6 Ų51.615%0.1523%0.234CC..Hα-helixtrans-60-40.2174.7-81-35.5000112.6Q276 C278 R283Q276-D280 PolarHBondContact O-N 3.45Å; C278-D280 VanDerWaalsContact C-N 3.35Å; C278-D280 PolarHBondContact O-N 3.26Å; D280-R283 IonicContact OD1-CZ 3.7Å; D280-R283 IonicContact OD1-NH1 3.65Å; D280-R283 PolarHBondContact OD1-NH1 3.16Å; D280-R283 IonicContact OD1-NH2 2.8Å
281I92.8Very high92.6Very high0 Ų048.3 Ų48.30%022%0.219CC..Hα-helixtrans-68.7-46175-64.3171.4000110.1L240 L244 I277 C278 E279 R283 L284 P286 V289 L303 I308 T334 L337L240-I281 HydrophobicContact CD1-CD1 3.85Å; L240-I281 HydrophobicContact CD1-CG1 4.48Å; L244-I281 HydrophobicContact CD1-CD1 4.12Å; L244-I281 HydrophobicContact CD2-CD1 3.68Å; I277-I281 WeakPolarHBondContact O-CG1 3.49Å; I277-I281 PolarHBondContact O-N 3.24Å; C278-I281 PolarHBondContact O-N 3.49Å; E279-I281 VanDerWaalsContact C-N 3.3Å; E279-I281 PolarHBondContact O-N 3.39Å; I281-R283 VanDerWaalsContact C-N 3.28Å; I281-R283 PolarHBondContact O-N 3.01Å; I281-L284 PolarHBondContact O-N 3.36Å; I281-P286 HydrophobicContact CG2-CG 3.72Å; I281-P286 WeakPolarHBondContact O-CD 3.43Å; I281-V289 HydrophobicContact CG2-CG2 3.71Å; I281-L303 HydrophobicContact CG2-CD2 4.28Å; I281-I308 HydrophobicContact CG2-CD1 4.34Å; I281-T334 HydrophobicContact CD1-CG2 4.12Å; I281-T334 HydrophobicContact CG1-CG2 4.11Å; I281-L337 HydrophobicContact CG1-CD1 3.99Å
282I93.5Very high92.8Very high54 Ų5445.4 Ų45.428%0.27721%0.206SC..Hα-helixtrans-64.8-32.4-177.2-67.6162.4000111.4C278 E279 L284 K285 A306 I308C278-I282 HydrophobicContact CB-CD1 4.3Å; C278-I282 WeakPolarHBondContact O-CB 3.27Å; C278-I282 WeakPolarHBondContact O-CD1 3.12Å; C278-I282 WeakPolarHBondContact O-CG1 3.34Å; C278-I282 PolarHBondContact O-N 3.35Å; E279-I282 PolarHBondContact O-N 3.24Å; I282-L284 PolarHBondContact O-N 3.33Å; I282-L284 VanDerWaalsContact O-N 3.15Å; I282-K285 WeakPolarHBondContact O-CA 3.36Å; I282-K285 PolarHBondContact O-N 3.24Å; I282-A306 HydrophobicContact CD1-CB 3.79Å; I282-A306 HydrophobicContact CG1-CB 3.67Å; I282-A306 HydrophobicContact CG2-CB 4.24Å; I282-I308 HydrophobicContact CG1-CD1 3.76Å
283R91.9Very high92.8Very high141 Ų14145.3 Ų45.353%0.53220%0.203SC..Hα-helixtrans-50.8-39.4176.5-178.5175.366-142.2-0.6112.1E279 D280 I281 K285E279-R283 WeakPolarHBondContact O-CB 3.33Å; E279-R283 PolarHBondContact O-N 2.86Å; D280-R283 IonicContact OD1-CZ 3.7Å; D280-R283 IonicContact OD1-NH1 3.65Å; D280-R283 PolarHBondContact OD1-NH1 3.16Å; D280-R283 IonicContact OD1-NH2 2.8Å; I281-R283 VanDerWaalsContact C-N 3.28Å; I281-R283 PolarHBondContact O-N 3.01Å; R283-K285 VanDerWaalsContact C-N 3.34Å
284L89.2Confident92.8Very high14 Ų1442 Ų427%0.07319%0.192CC..THydrogen-bonded Turntrans-83.5-9.6-178.7-67.7171.2000113.7R236 I238 I281 I282 L337 E339 I342R236-L284 PolarHBondContact NH1-O 3.04Å; R236-L284 PolarHBondContact NH2-O 3.44Å; I238-L284 HydrophobicContact CD1-CB 4.39Å; I238-L284 HydrophobicContact CD1-CD1 4.16Å; I281-L284 PolarHBondContact O-N 3.36Å; I282-L284 PolarHBondContact O-N 3.33Å; I282-L284 VanDerWaalsContact O-N 3.15Å; L284-L337 HydrophobicContact CD1-CB 3.51Å; L284-L337 HydrophobicContact CD1-CD1 4.44Å; L284-L337 HydrophobicContact CD1-CG 4.46Å; L284-E339 HydrophobicContact CD2-CG 3.69Å; L284-I342 HydrophobicContact CB-CD1 3.96Å; L284-I342 HydrophobicContact CD2-CD1 4.31Å; L284-I342 HydrophobicContact CG-CD1 4.5Å
285K91.1Very high92.9Very high159 Ų15942 Ų4269%0.69119%0.192SC*.  trans5155.8-177.4-59.3177.6179.4174.30113.8R236 I282 R283R236-K285 PolarHBondContact NH1-O 3.14Å; I282-K285 WeakPolarHBondContact O-CA 3.36Å; I282-K285 PolarHBondContact O-N 3.24Å; R283-K285 VanDerWaalsContact C-N 3.34Å
286P93.3Very high92.9Very high5 Ų540 Ų403%0.03219%0.186CC..  trans-74.1159.7173.335-37.8000111.2I238 I281 V289 I308I238-P286 HydrophobicContact CD1-CB 3.63Å; I238-P286 HydrophobicContact CD1-CG 3.71Å; I238-P286 HydrophobicContact CG1-CB 3.83Å; I238-P286 HydrophobicContact CG1-CG 4.39Å; I281-P286 HydrophobicContact CG2-CG 3.72Å; I281-P286 WeakPolarHBondContact O-CD 3.43Å; P286-V289 HydrophobicContact CG-CG2 4.2Å; P286-I308 HydrophobicContact CG-CD1 4Å; P286-I308 HydrophobicContact CG-CG2 4.31Å; P286-I308 WeakPolarHBondContact O-CG1 3.31Å
287D93.4Very high92.9Very high37 Ų3739.9 Ų39.920%0.19819%0.189CC..SBendtrans-95.8-30.7171-72.1-66000111.9R229 I232 P235 R236 T309R229-D287 IonicContact CZ-OD1 3.26Å; R229-D287 IonicContact NH1-OD1 2.72Å; R229-D287 IonicContact NH2-OD1 3.74Å; R229-D287 PolarHBondContact NH2-OD1 3.1Å; I232-D287 HydrophobicContact CD1-CB 4.25Å; I232-D287 HydrophobicContact CG2-CB 4.14Å; P235-D287 HydrophobicContact CB-CB 4.35Å; R236-D287 PolarHBondContact N-OD2 2.99Å; R236-D287 PolarHBondContact O-N 3.37Å; D287-T309 PolarHBondContact O-N 3.48Å
288L93.9Very high92.9Very high1 Ų142.2 Ų42.21%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-132.8138-175.5-76.4167.8000111.9I232 P235 R236 I237 I238 F290 T309 F349I232-L288 HydrophobicContact CD1-CD2 4.12Å; I232-L288 HydrophobicContact CD1-CG 4.05Å; P235-L288 HydrophobicContact CB-CD1 3.41Å; P235-L288 VanDerWaalsContact CB-CD1 3.41Å; P235-L288 HydrophobicContact CB-CG 4.16Å; P235-L288 HydrophobicContact CG-CD1 3.84Å; R236-L288 PolarHBondContact O-N 3.43Å; I237-L288 HydrophobicContact CG1-CB 4.06Å; I237-L288 HydrophobicContact CG1-CD1 4.04Å; I238-L288 PolarHBondContact N-O 3.36Å; L288-F290 HydrophobicContact CB-CE2 4.31Å; L288-T309 CarbonylContact C-O 3.52Å; L288-T309 WeakPolarHBondContact CA-O 3.3Å; L288-T309 HydrophobicContact CD2-CG2 3.79Å; L288-F349 HydrophobicContact CD1-CB 3.5Å; L288-F349 VanDerWaalsContact CD1-CB 3.5Å; L288-F349 HydrophobicContact CD1-CD1 4.06Å; L288-F349 HydrophobicContact CD1-CD2 3.37Å; L288-F349 HydrophobicContact CD1-CE2 3.99Å; L288-F349 HydrophobicContact CD1-CG 3.38Å; L288-F349 HydrophobicContact CD2-CD1 3.95Å; L288-F349 HydrophobicContact CD2-CD2 3.82Å; L288-F349 HydrophobicContact CD2-CE1 3.77Å; L288-F349 HydrophobicContact CD2-CE2 3.56Å; L288-F349 HydrophobicContact CD2-CG 3.98Å; L288-F349 HydrophobicContact CD2-CZ 3.56Å; L288-F349 HydrophobicContact CG-CD2 4.28Å; L288-F349 HydrophobicContact CG-CE2 4.47Å; L288-F349 HydrophobicContact CG-CG 4.29Å
289V94.8Very high92.9Very high0 Ų042.2 Ų42.20%020%0.201CC..EExtended strand (participates in β ladder)trans-128.2124.3173.4178.60000109.1I238 L240 I281 P286 T291 I308 T309 A310 I311I238-V289 HydrophobicContact CB-CG2 4.47Å; I238-V289 WeakPolarHBondContact O-CA 3.42Å; L240-V289 HydrophobicContact CD1-CG1 3.81Å; L240-V289 HydrophobicContact CG-CG1 4.45Å; I281-V289 HydrophobicContact CG2-CG2 3.71Å; P286-V289 HydrophobicContact CG-CG2 4.2Å; V289-T291 HydrophobicContact CG1-CG2 4.07Å; V289-I308 HydrophobicContact CB-CG2 4.49Å; V289-I308 HydrophobicContact CG2-CG2 3.66Å; V289-T309 PolarHBondContact N-O 3.01Å; V289-A310 WeakPolarHBondContact O-CA 3.45Å; V289-I311 PolarHBondContact O-N 3.36Å
290F95.2Very high92.9Very high0 Ų037.8 Ų37.80%018%0.181CC..EExtended strand (participates in β ladder)trans-106.5131169.9-65.9-92.5000109.4I219 I237 I238 L239 L240 L288 I311 V314 I322 F349 I362I219-F290 HydrophobicContact CD1-CD1 4.32Å; I219-F290 HydrophobicContact CD1-CE1 3.85Å; I237-F290 HydrophobicContact CG2-CD2 3.68Å; I237-F290 HydrophobicContact CG2-CE2 3.77Å; I238-F290 PolarHBondContact O-N 3.41Å; L239-F290 HydrophobicContact CD2-CB 3.68Å; L239-F290 HydrophobicContact CD2-CD2 3.7Å; L239-F290 HydrophobicContact CD2-CG 3.99Å; L240-F290 PolarHBondContact N-O 2.9Å; L288-F290 HydrophobicContact CB-CE2 4.31Å; F290-I311 HydrophobicContact CD1-CB 3.71Å; F290-I311 HydrophobicContact CD1-CD1 4.07Å; F290-I311 HydrophobicContact CD1-CG1 4.43Å; F290-I311 HydrophobicContact CD1-CG2 3.94Å; F290-I311 HydrophobicContact CE1-CB 3.91Å; F290-I311 HydrophobicContact CE1-CD1 3.33Å; F290-I311 HydrophobicContact CE1-CG1 4.15Å; F290-I311 HydrophobicContact CE1-CG2 4.15Å; F290-I311 HydrophobicContact CZ-CD1 3.85Å; F290-V314 HydrophobicContact CB-CG2 4.29Å; F290-V314 HydrophobicContact CD1-CG2 3.92Å; F290-I322 HydrophobicContact CD1-CD1 4.02Å; F290-I322 HydrophobicContact CE1-CD1 4.21Å; F290-I322 HydrophobicContact CG-CD1 4.22Å; F290-F349 HydrophobicContact CZ-CE2 4.24Å; F290-I362 HydrophobicContact CE1-CD1 4.3Å; F290-I362 HydrophobicContact CE2-CD1 3.9Å; F290-I362 HydrophobicContact CZ-CD1 3.52Å; F290-I362 HydrophobicContact CZ-CG1 4.22Å
291T94.5Very high92.9Very high0 Ų041 Ų410%019%0.194CC..EExtended strand (participates in β ladder)trans-118.7135.8174.665.30000110.4L240 L244 V289 K293 I295 I311 R312 R313 V314L240-T291 HydrophobicContact CB-CG2 4.2Å; L240-T291 HydrophobicContact CD1-CG2 4.24Å; L240-T291 WeakPolarHBondContact O-CA 3.48Å; L244-T291 HydrophobicContact CD1-CG2 3.81Å; L244-T291 HydrophobicContact CG-CG2 3.96Å; V289-T291 HydrophobicContact CG1-CG2 4.07Å; T291-K293 PolarHBondContact O-N 2.99Å; T291-K293 PolarHBondContact OG1-O 3.08Å; T291-I295 HydrophobicContact CG2-CD1 4.01Å; T291-I295 HydrophobicContact CG2-CG1 4.08Å; T291-I295 WeakPolarHBondContact OG1-CG1 3.33Å; T291-I311 PolarHBondContact N-O 3.07Å; T291-I311 PolarHBondContact OG1-O 3.14Å; T291-R312 WeakPolarHBondContact OG1-CA 3.18Å; T291-R313 PolarHBondContact O-N 3.07Å; T291-R313 VanDerWaalsContact O-N 3.09Å; T291-V314 PolarHBondContact O-N 3.09Å; T291-V314 VanDerWaalsContact O-N 3.08Å
292E93.5Very high93Very high29 Ų2943.9 Ų43.914%0.13621%0.206CC..SBendtrans-67.4-28.7170.8-65.1-165-172.100111.6L240 R313 V314 K316 N319L240-E292 PolarHBondContact O-N 2.63Å; E292-R313 WeakPolarHBondContact O-CA 3.34Å; E292-V314 WeakPolarHBondContact CA-O 3.22Å; E292-K316 WeakPolarHBondContact OE2-CB 3.48Å; E292-N319 HydrophobicContact CG-CB 4.23Å; E292-N319 WeakPolarHBondContact CG-ND2 3.46Å; E292-N319 PolarHBondContact OE1-ND2 3.04Å
293K92.6Very high93Very high107 Ų10741.3 Ų41.347%0.46519%0.192SC..SBendtrans-104.3-170-179.1-59.1-172.3-176.3-177.90112D241 T291 R313D241-K293 WeakPolarHBondContact O-CE 3.16Å; T291-K293 PolarHBondContact O-N 2.99Å; T291-K293 PolarHBondContact OG1-O 3.08Å; K293-R313 PolarHBondContact O-N 3.49Å
294G91.9Very high93.1Very high6 Ų636.1 Ų36.16%0.06218%0.176CC..  trans-74.8167.9179.400000114L244 E245L244-G294 PolarHBondContact N-O 3.35Å; E245-G294 WeakPolarHBondContact OE1-CA 3.24Å
295I93.5Very high93.2Very high2 Ų242.4 Ų42.41%0.0120%0.203CC..BIsolated β-bridgetrans-134.6121.8179.6-55.9179.7000106.5T224 L244 E245 T291 A299 Q300 A310 R312T224-I295 HydrophobicContact CG2-CD1 4.37Å; L244-I295 HydrophobicContact CB-CB 4.42Å; L244-I295 HydrophobicContact CB-CG1 4.36Å; L244-I295 HydrophobicContact CB-CG2 4.09Å; L244-I295 HydrophobicContact CD1-CD1 4.24Å; L244-I295 HydrophobicContact CD1-CG1 4.11Å; L244-I295 HydrophobicContact CD1-CG2 4.16Å; L244-I295 HydrophobicContact CG-CG1 4.47Å; E245-I295 PolarHBondContact OE1-N 2.92Å; T291-I295 HydrophobicContact CG2-CD1 4.01Å; T291-I295 HydrophobicContact CG2-CG1 4.08Å; T291-I295 WeakPolarHBondContact OG1-CG1 3.33Å; I295-A299 HydrophobicContact CG2-CB 3.92Å; I295-Q300 HydrophobicContact CG2-CG 3.76Å; I295-Q300 PolarHBondContact O-NE2 2.96Å; I295-A310 HydrophobicContact CD1-CB 3.66Å; I295-R312 HydrophobicContact CB-CB 4.35Å; I295-R312 HydrophobicContact CD1-CB 3.79Å; I295-R312 HydrophobicContact CG1-CB 3.72Å
296S93.8Very high93.2Very high28 Ų2836.8 Ų36.820%0.19619%0.187CC..  trans-64.9151.6176.7179.20000111.4L244 L298 A299 Q300L244-S296 WeakPolarHBondContact O-CB 3.49Å; L244-S296 PolarHBondContact O-N 3.29Å; S296-L298 VanDerWaalsContact C-N 3.27Å; S296-L298 PolarHBondContact O-N 3.45Å; S296-A299 WeakPolarHBondContact O-CB 3.03Å; S296-A299 PolarHBondContact O-N 3.25Å; S296-A299 VanDerWaalsContact O-N 3.14Å; S296-Q300 WeakPolarHBondContact O-CG 3.33Å; S296-Q300 PolarHBondContact O-N 2.92Å
297D91.9Very high93.2Very high115 Ų11540.5 Ų40.562%0.61521%0.206SC*.Hα-helixtrans-65.2-32.2179.3-63.4-27.4000112.1Q300 H301D297-Q300 WeakPolarHBondContact O-CB 3.36Å; D297-Q300 PolarHBondContact O-N 3.23Å; D297-Q300 PolarHBondContact OD1-NE2 3.39Å; D297-H301 PolarHBondContact O-N 3.1Å
298L92Very high93.2Very high59 Ų5939 Ų3931%0.30920%0.198SC..Hα-helixtrans-61.3-45.8171.2-72171000111.2E271 I274 S296 Q300 H301 Y302E271-L298 HydrophobicContact CG-CD1 4.03Å; I274-L298 HydrophobicContact CD1-CB 4.16Å; I274-L298 HydrophobicContact CD1-CD1 3.9Å; I274-L298 HydrophobicContact CG2-CB 4.06Å; S296-L298 VanDerWaalsContact C-N 3.27Å; S296-L298 PolarHBondContact O-N 3.45Å; L298-Q300 VanDerWaalsContact C-N 3.33Å; L298-Q300 PolarHBondContact O-N 3.41Å; L298-H301 PolarHBondContact O-N 3.15Å; L298-Y302 WeakPolarHBondContact O-CD2 3.4Å; L298-Y302 PolarHBondContact O-N 3.28Å; L298-Y302 VanDerWaalsContact O-N 3.13Å
299A93.4Very high93.3Very high0 Ų039 Ų390%020%0.198CC..Hα-helixtrans-62.3-41.617700000111.2L244 I274 I295 S296 H301 Y302 L303L244-A299 HydrophobicContact CB-CB 4.17Å; I274-A299 HydrophobicContact CG2-CB 3.79Å; I295-A299 HydrophobicContact CG2-CB 3.92Å; S296-A299 WeakPolarHBondContact O-CB 3.03Å; S296-A299 PolarHBondContact O-N 3.25Å; S296-A299 VanDerWaalsContact O-N 3.14Å; A299-H301 VanDerWaalsContact C-N 3.3Å; A299-H301 PolarHBondContact O-N 2.98Å; A299-Y302 PolarHBondContact O-N 2.73Å; A299-L303 WeakPolarHBondContact O-CB 3.39Å; A299-L303 VanDerWaalsContact O-CG 3.26Å; A299-L303 WeakPolarHBondContact O-CG 3.23Å; A299-L303 PolarHBondContact O-N 3.1Å
300Q93.1Very high93.3Very high9 Ų939 Ų394%0.04220%0.198CC..Hα-helixtrans-58.5-42.6175.6-66.3169.650.300111.6T224 M228 I295 S296 D297 L298 L303 V304T224-Q300 PolarHBondContact O-OE1 3.44Å; M228-Q300 HydrophobicContact CE-CB 4.41Å; I295-Q300 HydrophobicContact CG2-CG 3.76Å; I295-Q300 PolarHBondContact O-NE2 2.96Å; S296-Q300 WeakPolarHBondContact O-CG 3.33Å; S296-Q300 PolarHBondContact O-N 2.92Å; D297-Q300 WeakPolarHBondContact O-CB 3.36Å; D297-Q300 PolarHBondContact O-N 3.23Å; D297-Q300 PolarHBondContact OD1-NE2 3.39Å; L298-Q300 VanDerWaalsContact C-N 3.33Å; L298-Q300 PolarHBondContact O-N 3.41Å; Q300-L303 PolarHBondContact O-N 2.88Å; Q300-V304 WeakPolarHBondContact O-CB 3.29Å; Q300-V304 WeakPolarHBondContact O-CG2 3.41Å; Q300-V304 PolarHBondContact O-N 2.99Å
301H92.5Very high93.2Very high95 Ų9539 Ų3944%0.4420%0.198SC..Hα-helixtrans-64.2-42.7178.7179.1-117.6000112.6D297 L298 A299 V304 K305D297-H301 PolarHBondContact O-N 3.1Å; L298-H301 PolarHBondContact O-N 3.15Å; A299-H301 VanDerWaalsContact C-N 3.3Å; A299-H301 PolarHBondContact O-N 2.98Å; H301-V304 PolarHBondContact O-N 2.73Å; H301-K305 WeakPolarHBondContact CE1-CE 3.48Å; H301-K305 PolarHBondContact CE1-NZ 2.72Å; H301-K305 WeakPolarHBondContact NE2-CE 3.38Å; H301-K305 WeakPolarHBondContact O-CG 3.27Å; H301-K305 PolarHBondContact O-N 3.2Å; H301-K305 VanDerWaalsContact O-N 3.11Å
302Y93.1Very high93.2Very high60 Ų6043.6 Ų43.624%0.23522%0.215CC..Hα-helixtrans-64.4-44.2175-70.9-61.6000112.3I274 Q275 L298 A299 V304 K305 A306I274-Y302 HydrophobicContact CG2-CD2 4.43Å; Q275-Y302 HydrophobicContact CB-CE2 4.31Å; L298-Y302 WeakPolarHBondContact O-CD2 3.4Å; L298-Y302 PolarHBondContact O-N 3.28Å; L298-Y302 VanDerWaalsContact O-N 3.13Å; A299-Y302 PolarHBondContact O-N 2.73Å; Y302-V304 PolarHBondContact O-N 3.2Å; Y302-K305 PolarHBondContact O-N 2.95Å; Y302-A306 PolarHBondContact O-N 2.69Å; Y302-A306 VanDerWaalsContact O-N 3.11Å
303L93.6Very high93.2Very high0 Ų050.1 Ų50.10%024%0.239CC..Hα-helixtrans-63.6-40177.3-68.5174000112L244 I281 A299 Q300 K305 A306 N307 I308 A310L244-L303 HydrophobicContact CD1-CD1 4.12Å; I281-L303 HydrophobicContact CG2-CD2 4.28Å; A299-L303 WeakPolarHBondContact O-CB 3.39Å; A299-L303 VanDerWaalsContact O-CG 3.26Å; A299-L303 WeakPolarHBondContact O-CG 3.23Å; A299-L303 PolarHBondContact O-N 3.1Å; Q300-L303 PolarHBondContact O-N 2.88Å; L303-K305 PolarHBondContact O-N 3.32Å; L303-A306 CarbonylContact O-C 3.53Å; L303-A306 PolarHBondContact O-N 3.26Å; L303-N307 PolarHBondContact O-N 3.36Å; L303-N307 VanDerWaalsContact O-N 3.08Å; L303-I308 HydrophobicContact CB-CB 4.27Å; L303-I308 HydrophobicContact CD2-CB 4.13Å; L303-I308 HydrophobicContact CD2-CD1 3.87Å; L303-I308 HydrophobicContact CD2-CG2 4.24Å; L303-I308 PolarHBondContact O-N 3.29Å; L303-A310 HydrophobicContact CD1-CB 3.87Å
304V94.1Very high93.2Very high32 Ų3245.2 Ų45.219%0.19422%0.218CC..Hα-helixtrans-62.7-42.3175.5169.50000111.5H225 R227 M228 Q300 H301 Y302 A306 N307H225-V304 HydrophobicContact CB-CG2 3.98Å; R227-V304 HydrophobicContact CB-CG1 4.34Å; M228-V304 HydrophobicContact CE-CG2 3.59Å; M228-V304 HydrophobicContact CG-CG2 3.66Å; M228-V304 HydrophobicContact SD-CG2 4.49Å; Q300-V304 WeakPolarHBondContact O-CB 3.29Å; Q300-V304 WeakPolarHBondContact O-CG2 3.41Å; Q300-V304 PolarHBondContact O-N 2.99Å; H301-V304 PolarHBondContact O-N 2.73Å; Y302-V304 PolarHBondContact O-N 3.2Å; V304-A306 VanDerWaalsContact C-N 3.27Å; V304-A306 PolarHBondContact O-N 3.33Å; V304-N307 WeakPolarHBondContact O-CA 3.4Å; V304-N307 PolarHBondContact O-N 3.09Å
305K92.2Very high93.3Very high147 Ų14753.8 Ų53.864%0.63925%0.248SC*.Hα-helixtrans-61.1-37.3175.5-76.9177.8173.3177.40112.1H301 Y302 L303 N307H301-K305 WeakPolarHBondContact CE1-CE 3.48Å; H301-K305 PolarHBondContact CE1-NZ 2.72Å; H301-K305 WeakPolarHBondContact NE2-CE 3.38Å; H301-K305 WeakPolarHBondContact O-CG 3.27Å; H301-K305 PolarHBondContact O-N 3.2Å; H301-K305 VanDerWaalsContact O-N 3.11Å; Y302-K305 PolarHBondContact O-N 2.95Å; L303-K305 PolarHBondContact O-N 3.32Å; K305-N307 PolarHBondContact O-N 3.41Å
306A91.8Very high93.2Very high41 Ų4159.6 Ų59.634%0.33927%0.273SS..THydrogen-bonded Turntrans-79.72.3174.400000113.8I282 Y302 L303 V304 I308I282-A306 HydrophobicContact CD1-CB 3.79Å; I282-A306 HydrophobicContact CG1-CB 3.67Å; I282-A306 HydrophobicContact CG2-CB 4.24Å; Y302-A306 PolarHBondContact O-N 2.69Å; Y302-A306 VanDerWaalsContact O-N 3.11Å; L303-A306 CarbonylContact O-C 3.53Å; L303-A306 PolarHBondContact O-N 3.26Å; V304-A306 VanDerWaalsContact C-N 3.27Å; V304-A306 PolarHBondContact O-N 3.33Å; A306-I308 VanDerWaalsContact C-N 3.3Å; A306-I308 HydrophobicContact CB-CD1 3.82Å; A306-I308 HydrophobicContact CB-CG1 3.89Å; A306-I308 PolarHBondContact O-N 3.49Å
307N92.1Very high93.1Very high83 Ų8362 Ų6244%0.44429%0.287SS..THydrogen-bonded Turntrans62.729-178.3-158.816.7000114.5R229 L303 V304 K305R229-N307 VanDerWaalsContact CD-OD1 3.27Å; R229-N307 WeakPolarHBondContact CD-OD1 3.25Å; R229-N307 PolarHBondContact NE-ND2 2.7Å; R229-N307 PolarHBondContact NE-O 2.88Å; R229-N307 PolarHBondContact NE-OD1 2.85Å; R229-N307 PolarHBondContact NH2-O 3.46Å; L303-N307 PolarHBondContact O-N 3.36Å; L303-N307 VanDerWaalsContact O-N 3.08Å; V304-N307 WeakPolarHBondContact O-CA 3.4Å; V304-N307 PolarHBondContact O-N 3.09Å; K305-N307 PolarHBondContact O-N 3.41Å
308I94.6Very high93.1Very high4 Ų456.9 Ų56.92%0.02126%0.26CS..  trans-97.3131.6-179.6-50.6176.1000109I281 I282 P286 V289 L303 A306I281-I308 HydrophobicContact CG2-CD1 4.34Å; I282-I308 HydrophobicContact CG1-CD1 3.76Å; P286-I308 HydrophobicContact CG-CD1 4Å; P286-I308 HydrophobicContact CG-CG2 4.31Å; P286-I308 WeakPolarHBondContact O-CG1 3.31Å; V289-I308 HydrophobicContact CB-CG2 4.49Å; V289-I308 HydrophobicContact CG2-CG2 3.66Å; L303-I308 HydrophobicContact CB-CB 4.27Å; L303-I308 HydrophobicContact CD2-CB 4.13Å; L303-I308 HydrophobicContact CD2-CD1 3.87Å; L303-I308 HydrophobicContact CD2-CG2 4.24Å; L303-I308 PolarHBondContact O-N 3.29Å; A306-I308 VanDerWaalsContact C-N 3.3Å; A306-I308 HydrophobicContact CB-CD1 3.82Å; A306-I308 HydrophobicContact CB-CG1 3.89Å; A306-I308 PolarHBondContact O-N 3.49Å
309T94.6Very high93.1Very high1 Ų154.1 Ų54.11%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-94.5130.3176.5-60.80000109.8V223 M228 R229 D287 L288 V289 F349V223-T309 HydrophobicContact CB-CG2 4.42Å; V223-T309 HydrophobicContact CG1-CG2 3.57Å; M228-T309 HydrophobicContact CB-CG2 4.12Å; M228-T309 HydrophobicContact SD-CG2 4.35Å; R229-T309 PolarHBondContact N-OG1 3.44Å; R229-T309 PolarHBondContact O-OG1 3.21Å; D287-T309 PolarHBondContact O-N 3.48Å; L288-T309 CarbonylContact C-O 3.52Å; L288-T309 WeakPolarHBondContact CA-O 3.3Å; L288-T309 HydrophobicContact CD2-CG2 3.79Å; V289-T309 PolarHBondContact N-O 3.01Å; T309-F349 HydrophobicContact CG2-CE1 4.07Å; T309-F349 HydrophobicContact CG2-CZ 4.05Å
310A94.4Very high93Very high0 Ų057.5 Ų57.50%026%0.264CS..EExtended strand (participates in β ladder)trans-119137.6-174.800000111.8T224 M228 V289 I295 L303T224-A310 PolarHBondContact N-O 3.19Å; T224-A310 PolarHBondContact OG1-O 3.49Å; M228-A310 HydrophobicContact CE-CB 4.05Å; M228-A310 HydrophobicContact SD-CB 4.41Å; M228-A310 PolarHBondContact SD-N 3.3Å; M228-A310 VanDerWaalsContact SD-N 3.41Å; V289-A310 WeakPolarHBondContact O-CA 3.45Å; I295-A310 HydrophobicContact CD1-CB 3.66Å; L303-A310 HydrophobicContact CD1-CB 3.87Å
311I94.5Very high93Very high1 Ų158.5 Ų58.51%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-122.6126.7174.7-67.1171.7000108.4K221 V289 F290 T291 V314 F349 T360K221-I311 HydrophobicContact CB-CG2 3.81Å; K221-I311 HydrophobicContact CG-CG2 4.28Å; V289-I311 PolarHBondContact O-N 3.36Å; F290-I311 HydrophobicContact CD1-CB 3.71Å; F290-I311 HydrophobicContact CD1-CD1 4.07Å; F290-I311 HydrophobicContact CD1-CG1 4.43Å; F290-I311 HydrophobicContact CD1-CG2 3.94Å; F290-I311 HydrophobicContact CE1-CB 3.91Å; F290-I311 HydrophobicContact CE1-CD1 3.33Å; F290-I311 HydrophobicContact CE1-CG1 4.15Å; F290-I311 HydrophobicContact CE1-CG2 4.15Å; F290-I311 HydrophobicContact CZ-CD1 3.85Å; T291-I311 PolarHBondContact N-O 3.07Å; T291-I311 PolarHBondContact OG1-O 3.14Å; I311-V314 HydrophobicContact CG2-CG2 3.8Å; I311-F349 HydrophobicContact CD1-CE2 3.63Å; I311-F349 HydrophobicContact CD1-CZ 3.86Å; I311-T360 HydrophobicContact CD1-CG2 3.59Å
312R93.6Very high92.9Very high96 Ų9654 Ų5436%0.36225%0.246SC..  trans-106.9157.7-175.270.1-176.5175.8-173.9-1.5112.9T224 T291 I295 V314T224-R312 HydrophobicContact CG2-CB 4.08Å; T224-R312 HydrophobicContact CG2-CG 3.72Å; T291-R312 WeakPolarHBondContact OG1-CA 3.18Å; I295-R312 HydrophobicContact CB-CB 4.35Å; I295-R312 HydrophobicContact CD1-CB 3.79Å; I295-R312 HydrophobicContact CG1-CB 3.72Å; R312-V314 PolarHBondContact O-N 2.72Å
313R92.9Very high92.8Very high166 Ų16651.9 Ų51.963%0.62624%0.241SC*.SBendtrans57.845.2173.7-57.1-175.9-178.1-161.90.7113K221 T291 E292 K293K221-R313 WeakPolarHBondContact CE-O 3.46Å; T291-R313 PolarHBondContact O-N 3.07Å; T291-R313 VanDerWaalsContact O-N 3.09Å; E292-R313 WeakPolarHBondContact O-CA 3.34Å; K293-R313 PolarHBondContact O-N 3.49Å
314V93.9Very high92.6Very high5 Ų555.4 Ų55.43%0.0325%0.254CS..  trans-75.8139173.2-174.60000109.1I219 F290 T291 E292 I311 R312 D318 N319 I322I219-V314 HydrophobicContact CD1-CG1 4.46Å; F290-V314 HydrophobicContact CB-CG2 4.29Å; F290-V314 HydrophobicContact CD1-CG2 3.92Å; T291-V314 PolarHBondContact O-N 3.09Å; T291-V314 VanDerWaalsContact O-N 3.08Å; E292-V314 WeakPolarHBondContact CA-O 3.22Å; I311-V314 HydrophobicContact CG2-CG2 3.8Å; R312-V314 PolarHBondContact O-N 2.72Å; V314-D318 HydrophobicContact CG1-CB 3.96Å; V314-N319 HydrophobicContact CG1-CB 4.4Å; V314-I322 HydrophobicContact CG1-CD1 4.26Å
315R93.3Very high92.4Very high186 Ų18653.9 Ų53.970%0.70225%0.245SC*.  trans-68140.4174.4-67.2-179.9177.3179.40.6109.4T317 D318 N319R315-T317 PolarHBondContact O-N 2.86Å; R315-T317 VanDerWaalsContact O-N 3.16Å; R315-D318 HydrophobicContact CB-CB 4.44Å; R315-D318 WeakPolarHBondContact O-CA 3.07Å; R315-D318 PolarHBondContact O-N 3.01Å; R315-N319 PolarHBondContact O-N 3.18Å
316K91.6Very high92.1Very high123 Ų12346.9 Ų46.954%0.53522%0.215SC..Hα-helixtrans-51.8-39176.1-173.9163.8-174.41610113.8E292 D318 N319 N320E292-K316 WeakPolarHBondContact OE2-CB 3.48Å; K316-D318 PolarHBondContact O-N 3.37Å; K316-N319 PolarHBondContact O-N 3.33Å; K316-N320 PolarHBondContact O-N 3.14Å; K316-N320 PolarHBondContact O-ND2 2.94Å
317T91.6Very high91.9Very high80 Ų8046.7 Ų46.749%0.49122%0.216SC..Hα-helixtrans-63.6-39.1175.848.20000112.8R315 R321R315-T317 PolarHBondContact O-N 2.86Å; R315-T317 VanDerWaalsContact O-N 3.16Å; T317-R321 VanDerWaalsContact O-CG 3.32Å; T317-R321 WeakPolarHBondContact O-CG 3.47Å; T317-R321 PolarHBondContact O-N 3.05Å
318D92.1Very high91.8Very high7 Ų743 Ų434%0.03720%0.197CC..Hα-helixtrans-71.9-39.4175.1-70.2-18.2000110.5K199 V314 R315 K316 N320 R321 I322K199-D318 WeakPolarHBondContact CD-OD1 3.3Å; K199-D318 WeakPolarHBondContact CE-OD1 3.46Å; K199-D318 IonicContact NZ-OD1 3.76Å; K199-D318 PolarHBondContact NZ-OD1 2.91Å; K199-D318 IonicContact NZ-OD2 3.19Å; K199-D318 PolarHBondContact NZ-OD2 3.29Å; V314-D318 HydrophobicContact CG1-CB 3.96Å; R315-D318 HydrophobicContact CB-CB 4.44Å; R315-D318 WeakPolarHBondContact O-CA 3.07Å; R315-D318 PolarHBondContact O-N 3.01Å; K316-D318 PolarHBondContact O-N 3.37Å; D318-N320 VanDerWaalsContact C-N 3.34Å; D318-N320 PolarHBondContact O-N 3.03Å; D318-R321 WeakPolarHBondContact O-CB 3.48Å; D318-R321 PolarHBondContact O-N 2.71Å; D318-R321 IonicContact OD1-CZ 2.82Å; D318-R321 IonicContact OD1-NH1 3.19Å; D318-R321 PolarHBondContact OD1-NH1 3.24Å; D318-I322 VanDerWaalsContact O-CG1 3.26Å; D318-I322 WeakPolarHBondContact O-CG1 3.47Å; D318-I322 PolarHBondContact O-N 3.35Å
319N92.5Very high91.7Very high0 Ų048.3 Ų48.30%022%0.222CC..Hα-helixtrans-58.7-44.8175.8-158.524.3000112L239 E292 V314 R315 K316 R321 I322 A323 I330L239-N319 WeakPolarHBondContact CD2-OD1 3.18Å; E292-N319 HydrophobicContact CG-CB 4.23Å; E292-N319 WeakPolarHBondContact CG-ND2 3.46Å; E292-N319 PolarHBondContact OE1-ND2 3.04Å; V314-N319 HydrophobicContact CG1-CB 4.4Å; R315-N319 PolarHBondContact O-N 3.18Å; K316-N319 PolarHBondContact O-N 3.33Å; N319-R321 VanDerWaalsContact C-N 3.28Å; N319-R321 PolarHBondContact O-N 2.9Å; N319-I322 PolarHBondContact O-N 3.05Å; N319-A323 WeakPolarHBondContact O-CB 3.45Å; N319-A323 PolarHBondContact O-N 3.35Å; N319-I330 HydrophobicContact CB-CD1 4.33Å
320N92Very high91.6Very high72 Ų7250.9 Ų50.939%0.38524%0.235SC..Hα-helixtrans-60.7-35.2174.2-69.9-21.6000112.9K316 D318 R324 I330K316-N320 PolarHBondContact O-N 3.14Å; K316-N320 PolarHBondContact O-ND2 2.94Å; D318-N320 VanDerWaalsContact C-N 3.34Å; D318-N320 PolarHBondContact O-N 3.03Å; N320-R324 PolarHBondContact O-N 3.07Å; N320-I330 WeakPolarHBondContact OD1-CD1 3.31Å
321R91.2Very high91.6Very high29 Ų2951.5 Ų51.511%0.10924%0.239CC..Hα-helixtrans-70.9-42.2175.8-69.1166.1-177.2146.5-5.1111.3K196 V217 T317 D318 N319 A323 R324 A325 A370K196-R321 PolarHBondContact O-NE 3.09Å; K196-R321 PolarHBondContact O-NH2 3.12Å; V217-R321 HydrophobicContact CG1-CB 4.42Å; V217-R321 HydrophobicContact CG2-CB 3.88Å; T317-R321 VanDerWaalsContact O-CG 3.32Å; T317-R321 WeakPolarHBondContact O-CG 3.47Å; T317-R321 PolarHBondContact O-N 3.05Å; D318-R321 WeakPolarHBondContact O-CB 3.48Å; D318-R321 PolarHBondContact O-N 2.71Å; D318-R321 IonicContact OD1-CZ 2.82Å; D318-R321 IonicContact OD1-NH1 3.19Å; D318-R321 PolarHBondContact OD1-NH1 3.24Å; N319-R321 VanDerWaalsContact C-N 3.28Å; N319-R321 PolarHBondContact O-N 2.9Å; R321-A323 VanDerWaalsContact C-N 3.32Å; R321-R324 PolarHBondContact O-N 3.36Å; R321-A325 WeakPolarHBondContact O-CB 3.33Å; R321-A325 PolarHBondContact O-N 3.16Å; R321-A370 HydrophobicContact CB-CB 4.22Å
322I91.6Very high91.5Very high0 Ų054.8 Ų54.80%026%0.262CS..Hα-helixtrans-62.3-44.4176.4-57.3161000109.7V217 I219 I237 L239 F290 V314 D318 N319 R324 A325 C326 I362V217-I322 HydrophobicContact CB-CG1 4.15Å; V217-I322 HydrophobicContact CG1-CG1 3.96Å; V217-I322 HydrophobicContact CG2-CG1 4.27Å; I219-I322 HydrophobicContact CD1-CD1 3.45Å; I219-I322 VanDerWaalsContact CD1-CD1 3.45Å; I219-I322 HydrophobicContact CD1-CG1 4.15Å; I237-I322 HydrophobicContact CG2-CG2 4.4Å; L239-I322 HydrophobicContact CD1-CB 4.21Å; L239-I322 HydrophobicContact CD1-CG2 4.17Å; L239-I322 HydrophobicContact CD2-CB 4.23Å; L239-I322 HydrophobicContact CD2-CG2 3.73Å; F290-I322 HydrophobicContact CD1-CD1 4.02Å; F290-I322 HydrophobicContact CE1-CD1 4.21Å; F290-I322 HydrophobicContact CG-CD1 4.22Å; V314-I322 HydrophobicContact CG1-CD1 4.26Å; D318-I322 VanDerWaalsContact O-CG1 3.26Å; D318-I322 WeakPolarHBondContact O-CG1 3.47Å; D318-I322 PolarHBondContact O-N 3.35Å; N319-I322 PolarHBondContact O-N 3.05Å; I322-R324 VanDerWaalsContact C-N 3.29Å; I322-R324 PolarHBondContact O-N 3.01Å; I322-A325 PolarHBondContact O-N 2.86Å; I322-C326 VanDerWaalsContact O-CB 3.29Å; I322-C326 WeakPolarHBondContact O-CB 3.22Å; I322-C326 PolarHBondContact O-N 2.66Å; I322-C326 PolarHBondContact O-SG 3.16Å; I322-I362 HydrophobicContact CB-CD1 4.45Å; I322-I362 HydrophobicContact CD1-CD1 4.35Å; I322-I362 HydrophobicContact CG1-CD1 3.98Å; I322-I362 HydrophobicContact CG2-CD1 3.64Å
323A91.8Very high91.3Very high16 Ų1656.7 Ų56.713%0.13227%0.269CS..Hα-helixtrans-53.5-48.6176.300000111L239 N319 R321 G327 A328 I330L239-A323 HydrophobicContact CD1-CB 3.54Å; N319-A323 WeakPolarHBondContact O-CB 3.45Å; N319-A323 PolarHBondContact O-N 3.35Å; R321-A323 VanDerWaalsContact C-N 3.32Å; A323-G327 CarbonylContact O-C 3.33Å; A323-G327 WeakPolarHBondContact O-CA 3.4Å; A323-G327 PolarHBondContact O-N 3.05Å; A323-A328 WeakPolarHBondContact CA-O 3.22Å; A323-A328 VanDerWaalsContact CB-O 3.31Å; A323-A328 WeakPolarHBondContact CB-O 3.38Å; A323-A328 PolarHBondContact O-N 3.36Å; A323-A328 VanDerWaalsContact O-N 3.12Å; A323-I330 HydrophobicContact CB-CD1 4.16Å; A323-I330 HydrophobicContact CB-CG1 4.03Å
324R88.8Confident91.1Very high75 Ų7549.2 Ų49.228%0.28324%0.242SC..Hα-helixtrans-72.7-35.2-178.5-158.9157.7-176.1132.3-14.6113.4Y197 N320 R321 I322 K369Y197-R324 HydrophobicContact CE1-CB 4.47Å; Y197-R324 HydrophobicContact CE1-CG 4.42Å; Y197-R324 VanDerWaalsContact CZ-CZ 3.48Å; Y197-R324 PolarHBondContact OH-NH1 3.33Å; N320-R324 PolarHBondContact O-N 3.07Å; R321-R324 PolarHBondContact O-N 3.36Å; I322-R324 VanDerWaalsContact C-N 3.29Å; I322-R324 PolarHBondContact O-N 3.01Å; R324-K369 HydrophobicContact CG-CB 3.72Å; R324-K369 HydrophobicContact CG-CD 4.39Å
325A88.6Confident90.9Very high0 Ų052.9 Ų52.90%026%0.261CS..Hα-helixtrans-73.3-3617700000113.1V217 R321 I322 C365 A370V217-A325 HydrophobicContact CG2-CB 4.05Å; R321-A325 WeakPolarHBondContact O-CB 3.33Å; R321-A325 PolarHBondContact O-N 3.16Å; I322-A325 PolarHBondContact O-N 2.86Å; A325-C365 WeakPolarHBondContact O-CB 3.45Å; A325-A370 HydrophobicContact CB-CB 4.41Å
326C87.3Confident90.7Very high0 Ų049.4 Ų49.40%025%0.253CS..Hα-helixtrans-99.7-13.4-174.4-530000113.2I237 I322 A328 G343 K345I237-C326 HydrophobicContact CD1-CB 4.07Å; I237-C326 WeakPolarHBondContact CD1-SG 3.5Å; I322-C326 VanDerWaalsContact O-CB 3.29Å; I322-C326 WeakPolarHBondContact O-CB 3.22Å; I322-C326 PolarHBondContact O-N 2.66Å; I322-C326 PolarHBondContact O-SG 3.16Å; C326-A328 VanDerWaalsContact C-N 3.3Å; C326-G343 WeakPolarHBondContact O-CA 3.22Å; C326-K345 VanDerWaalsContact O-CB 3.28Å; C326-K345 WeakPolarHBondContact O-CB 3.44Å; C326-K345 WeakPolarHBondContact O-CG 3.26Å; C326-K345 PolarHBondContact O-N 3.4Å
327G86.8Confident90.7Very high36 Ų3643.9 Ų43.937%0.37123%0.229SC..THydrogen-bonded Turntrans69.625.6-171.500000113.5A323A323-G327 CarbonylContact O-C 3.33Å; A323-G327 WeakPolarHBondContact O-CA 3.4Å; A323-G327 PolarHBondContact O-N 3.05Å
328A90.3Very high90.6Very high5 Ų548.1 Ų48.14%0.04124%0.236CC..PPolyproline II helixtrans-86.4148.5176.600000110.5L239 A323 C326 D341L239-A328 HydrophobicContact CD1-CB 3.76Å; L239-A328 HydrophobicContact CG-CB 3.88Å; A323-A328 WeakPolarHBondContact CA-O 3.22Å; A323-A328 VanDerWaalsContact CB-O 3.31Å; A323-A328 WeakPolarHBondContact CB-O 3.38Å; A323-A328 PolarHBondContact O-N 3.36Å; A323-A328 VanDerWaalsContact O-N 3.12Å; C326-A328 VanDerWaalsContact C-N 3.3Å; A328-D341 WeakPolarHBondContact CA-O 3.23Å
329H92.1Very high90.5Very high116 Ų11654.9 Ų54.954%0.53727%0.268SS..PPolyproline II helixtrans-95139.4170-70.4-72.2000110.1D341H329-D341 HydrophobicContact CB-CB 4.18Å; H329-D341 PolarHBondContact N-O 3.46Å; H329-D341 VanDerWaalsContact N-O 3.1Å
330I93.8Very high90.3Very high55 Ų5562.3 Ų62.328%0.28230%0.302SS..EExtended strand (participates in β ladder)trans-82.8120.7176.7-58.7170.4000107.6L239 D241 N319 N320 A323L239-I330 HydrophobicContact CB-CG1 4.04Å; L239-I330 HydrophobicContact CD1-CG1 4.06Å; D241-I330 HydrophobicContact CB-CG2 4.24Å; N319-I330 HydrophobicContact CB-CD1 4.33Å; N320-I330 WeakPolarHBondContact OD1-CD1 3.31Å; A323-I330 HydrophobicContact CB-CD1 4.16Å; A323-I330 HydrophobicContact CB-CG1 4.03Å
331V93.8Very high90.2Very high13 Ų1360 Ų608%0.07929%0.29CS..EExtended strand (participates in β ladder)trans-111.5136.2-177.3-171.60000110.3L239 L240 D241 R333 E336 L337 D341L239-V331 PolarHBondContact O-N 2.87Å; L240-V331 WeakPolarHBondContact CA-O 3.44Å; L240-V331 HydrophobicContact CD2-CB 4.38Å; D241-V331 PolarHBondContact N-O 3.31Å; V331-R333 WeakPolarHBondContact CG1-O 3.12Å; V331-E336 HydrophobicContact CG1-CB 4.49Å; V331-L337 HydrophobicContact CB-CD2 3.82Å; V331-L337 HydrophobicContact CG1-CD2 4.05Å; V331-L337 HydrophobicContact CG1-CG 4.44Å; V331-L337 HydrophobicContact CG2-CD2 3.85Å; V331-D341 HydrophobicContact CG2-CB 3.8Å
332S91.3Very high90.2Very high70 Ų7059.1 Ų59.149%0.4929%0.287SS..SBendtrans-88.3-22.8-177.7-58.20000113.9C242C242-S332 VanDerWaalsContact CB-O 3.27Å; C242-S332 WeakPolarHBondContact CB-O 3.45Å
333R90.2Very high90Very high137 Ų13759.1 Ų59.152%0.51729%0.287SS..  trans-128.3140179.8-67.4-175.965.5164-1.1110.9V331 D335 E336V331-R333 WeakPolarHBondContact CG1-O 3.12Å; R333-D335 IonicContact CZ-OD2 3.83Å; R333-D335 IonicContact NE-OD2 3.16Å; R333-D335 IonicContact NH2-OD2 3.54Å; R333-D335 PolarHBondContact NH2-OD2 3.38Å; R333-E336 HydrophobicContact CB-CG 4.39Å
334T88.8Confident89.9Confident9 Ų963.6 Ų63.66%0.05531%0.308CS..SBendtrans-70-34.1179.344.80000112.7L240 L244 I277 I281 E336 L337L240-T334 HydrophobicContact CD1-CG2 4.26Å; L244-T334 HydrophobicContact CD2-CG2 4.26Å; I277-T334 HydrophobicContact CG2-CG2 3.79Å; I281-T334 HydrophobicContact CD1-CG2 4.12Å; I281-T334 HydrophobicContact CG1-CG2 4.11Å; T334-E336 PolarHBondContact O-N 3.18Å; T334-L337 HydrophobicContact CG2-CD1 4.33Å; T334-L337 VanDerWaalsContact O-CB 3.3Å; T334-L337 WeakPolarHBondContact O-CB 3.48Å; T334-L337 WeakPolarHBondContact O-CD1 3.13Å; T334-L337 VanDerWaalsContact O-CG 3.23Å; T334-L337 WeakPolarHBondContact O-CG 2.72Å; T334-L337 PolarHBondContact O-N 3.33Å; T334-L337 VanDerWaalsContact O-N 3.15Å
335D88.7Confident89.7Confident81 Ų8164 Ų6443%0.43331%0.312SS..THydrogen-bonded Turntrans-62.7-30-177.9-32.2-23.9000112.1R333 L337R333-D335 IonicContact CZ-OD2 3.83Å; R333-D335 IonicContact NE-OD2 3.16Å; R333-D335 IonicContact NH2-OD2 3.54Å; R333-D335 PolarHBondContact NH2-OD2 3.38Å; D335-L337 VanDerWaalsContact C-N 3.34Å
336E90.1Very high89.7Confident113 Ų11364 Ų6453%0.52831%0.312SS..THydrogen-bonded Turntrans-87.5-0.7-177-68.8177.2-171.100113.5V331 R333 T334 R338V331-E336 HydrophobicContact CG1-CB 4.49Å; R333-E336 HydrophobicContact CB-CG 4.39Å; T334-E336 PolarHBondContact O-N 3.18Å; E336-R338 PolarHBondContact O-N 3.16Å
337L90.8Very high89.6Confident7 Ų764.5 Ų64.54%0.03732%0.317CS..  trans-62.4125.1-177.7-73.3167.6000111.7I238 L240 I281 L284 V331 T334 D335I238-L337 HydrophobicContact CG2-CD2 3.88Å; L240-L337 HydrophobicContact CD2-CD1 4.29Å; L240-L337 HydrophobicContact CD2-CD2 3.94Å; L240-L337 HydrophobicContact CD2-CG 4.46Å; I281-L337 HydrophobicContact CG1-CD1 3.99Å; L284-L337 HydrophobicContact CD1-CB 3.51Å; L284-L337 HydrophobicContact CD1-CD1 4.44Å; L284-L337 HydrophobicContact CD1-CG 4.46Å; V331-L337 HydrophobicContact CB-CD2 3.82Å; V331-L337 HydrophobicContact CG1-CD2 4.05Å; V331-L337 HydrophobicContact CG1-CG 4.44Å; V331-L337 HydrophobicContact CG2-CD2 3.85Å; T334-L337 HydrophobicContact CG2-CD1 4.33Å; T334-L337 VanDerWaalsContact O-CB 3.3Å; T334-L337 WeakPolarHBondContact O-CB 3.48Å; T334-L337 WeakPolarHBondContact O-CD1 3.13Å; T334-L337 VanDerWaalsContact O-CG 3.23Å; T334-L337 WeakPolarHBondContact O-CG 2.72Å; T334-L337 PolarHBondContact O-N 3.33Å; T334-L337 VanDerWaalsContact O-N 3.15Å; D335-L337 VanDerWaalsContact C-N 3.34Å
338R90.7Very high89.8Confident169 Ų16964.1 Ų64.164%0.63831%0.306SS*.  trans-114.7162.9176.1-61.6175.4-171.5-179.32110.7E336 Q340 D341E336-R338 PolarHBondContact O-N 3.16Å; R338-Q340 PolarHBondContact O-N 3.41Å; R338-D341 PolarHBondContact N-OD2 3.02Å; R338-D341 PolarHBondContact O-N 2.88Å; R338-D341 VanDerWaalsContact O-N 3.1Å
339E88.6Confident90Very high150 Ų15063.9 Ų63.970%0.70130%0.304SS*.G310 helixtrans-62.3-24.2175-67-171.1162.500113.2L284 D341 I342L284-E339 HydrophobicContact CD2-CG 3.69Å; E339-D341 PolarHBondContact O-N 2.99Å; E339-I342 PolarHBondContact O-N 3.17Å
340Q89.8Confident90.1Very high156 Ų15660.4 Ų60.473%0.72929%0.288SS*.G310 helixtrans-68.7-23176.9-64.2176.31.900112.9R338 I342R338-Q340 PolarHBondContact O-N 3.41Å; Q340-I342 VanDerWaalsContact C-N 3.26Å; Q340-I342 PolarHBondContact O-N 3.05Å
341D89.5Confident90.1Very high23 Ų2358.5 Ų58.512%0.12328%0.279CS..G310 helixtrans-80.7-12-176.6-55.5-43.6000112.5A328 H329 V331 R338 E339 G343A328-D341 WeakPolarHBondContact CA-O 3.23Å; H329-D341 HydrophobicContact CB-CB 4.18Å; H329-D341 PolarHBondContact N-O 3.46Å; H329-D341 VanDerWaalsContact N-O 3.1Å; V331-D341 HydrophobicContact CG2-CB 3.8Å; R338-D341 PolarHBondContact N-OD2 3.02Å; R338-D341 PolarHBondContact O-N 2.88Å; R338-D341 VanDerWaalsContact O-N 3.1Å; E339-D341 PolarHBondContact O-N 2.99Å; D341-G343 PolarHBondContact O-N 3.17Å
342I90.1Very high89.9Confident11 Ų1162.3 Ų62.36%0.05630%0.295CS..  trans-79.6121.6-174.6-54.9173.1000110.3R236 I238 L284 E339 Q340 L344R236-I342 HydrophobicContact CB-CG2 3.9Å; R236-I342 VanDerWaalsContact NH2-CD1 3.27Å; I238-I342 HydrophobicContact CD1-CG1 4.39Å; I238-I342 HydrophobicContact CG1-CG1 4.19Å; L284-I342 HydrophobicContact CB-CD1 3.96Å; L284-I342 HydrophobicContact CD2-CD1 4.31Å; L284-I342 HydrophobicContact CG-CD1 4.5Å; E339-I342 PolarHBondContact O-N 3.17Å; Q340-I342 VanDerWaalsContact C-N 3.26Å; Q340-I342 PolarHBondContact O-N 3.05Å; I342-L344 HydrophobicContact CG2-CD2 4.11Å; I342-L344 PolarHBondContact O-N 3.05Å
343G88.3Confident89.9Confident0 Ų064.2 Ų64.20%029%0.294CS..BIsolated β-bridgetrans-73119.5171.200000111.4I237 C326 D341I237-G343 PolarHBondContact N-O 3.36Å; I237-G343 PolarHBondContact O-N 3.49Å; C326-G343 WeakPolarHBondContact O-CA 3.22Å; D341-G343 PolarHBondContact O-N 3.17Å
344L88.9Confident89.7Confident110 Ų11059.1 Ų59.158%0.57628%0.277SS*.  trans-110.2-2.6177.2-63.8178.7000113.5R236 I342R236-L344 HydrophobicContact CB-CD2 4.45Å; R236-L344 HydrophobicContact CG-CD2 3.79Å; I342-L344 HydrophobicContact CG2-CD2 4.11Å; I342-L344 PolarHBondContact O-N 3.05Å
345K86.4Confident89.4Confident82 Ų8261.4 Ų61.436%0.35730%0.302SS..  trans-88.5-6.2-170-57.3-172.4173.9-162.30114.4C326 C365 K366 D367C326-K345 VanDerWaalsContact O-CB 3.28Å; C326-K345 WeakPolarHBondContact O-CB 3.44Å; C326-K345 WeakPolarHBondContact O-CG 3.26Å; C326-K345 PolarHBondContact O-N 3.4Å; K345-C365 CarbonylContact O-C 3.56Å; K345-C365 VanDerWaalsContact O-CA 3.25Å; K345-C365 WeakPolarHBondContact O-CA 3.17Å; K345-K366 PolarHBondContact O-N 3.33Å; K345-D367 IonicContact NZ-OD2 3.61Å; K345-D367 PolarHBondContact NZ-OD2 3.04Å
346A86.8Confident89.3Confident1 Ų164.4 Ų64.41%0.00832%0.318CS..  trans-77.1135.2178.200000111.2P235 I237 I362P235-A346 HydrophobicContact CG-CB 3.96Å; I237-A346 HydrophobicContact CD1-CB 3.51Å; A346-I362 HydrophobicContact CB-CG2 3.86Å
347G85.8Confident89.3Confident10 Ų1063.9 Ų63.910%0.10332%0.316CS..  trans-88.7-42.6-179.600000113.1N234 T363 E364N234-G347 PolarHBondContact N-O 2.95Å; G347-T363 PolarHBondContact N-O 3.06Å; G347-E364 WeakPolarHBondContact CA-O 3.22Å; G347-E364 PolarHBondContact N-O 3.34Å
348M91.9Very high89.3Confident29 Ų2967.7 Ų67.714%0.14333%0.33CS..EExtended strand (participates in β ladder)trans-146.3134.9-176.7-173.269127.500111.8M231 K233 I362 T363M231-M348 HydrophobicContact CE-CE 4.12Å; M231-M348 HydrophobicContact CG-CE 3.82Å; M231-M348 HydrophobicContact CG-SD 4.03Å; M231-M348 HydrophobicContact SD-CE 3.71Å; K233-M348 HydrophobicContact CB-SD 4.41Å; K233-M348 HydrophobicContact CG-CE 4.06Å; K233-M348 HydrophobicContact CG-SD 3.63Å; M348-I362 WeakPolarHBondContact O-CA 3.42Å; M348-T363 PolarHBondContact N-O 3.06Å; M348-T363 PolarHBondContact O-N 3.2Å
349F93.6Very high89.4Confident0 Ų059.7 Ų59.70%030%0.3CS..EExtended strand (participates in β ladder)trans-108.1130.1165.7169.3-94.4000109.5M231 I232 P235 L288 F290 T309 I311 V351 T360 F361 I362M231-F349 CarbonylContact C-O 3.45Å; M231-F349 VanDerWaalsContact CA-O 3.27Å; M231-F349 WeakPolarHBondContact CA-O 3.16Å; I232-F349 HydrophobicContact CB-CB 4.32Å; I232-F349 HydrophobicContact CB-CD1 4.39Å; I232-F349 HydrophobicContact CD1-CD1 4.2Å; I232-F349 HydrophobicContact CG1-CD1 4.16Å; I232-F349 PolarHBondContact N-O 3.37Å; I232-F349 PolarHBondContact O-N 3.3Å; P235-F349 HydrophobicContact CB-CB 4.42Å; P235-F349 HydrophobicContact CG-CB 3.99Å; L288-F349 HydrophobicContact CD1-CB 3.5Å; L288-F349 VanDerWaalsContact CD1-CB 3.5Å; L288-F349 HydrophobicContact CD1-CD1 4.06Å; L288-F349 HydrophobicContact CD1-CD2 3.37Å; L288-F349 HydrophobicContact CD1-CE2 3.99Å; L288-F349 HydrophobicContact CD1-CG 3.38Å; L288-F349 HydrophobicContact CD2-CD1 3.95Å; L288-F349 HydrophobicContact CD2-CD2 3.82Å; L288-F349 HydrophobicContact CD2-CE1 3.77Å; L288-F349 HydrophobicContact CD2-CE2 3.56Å; L288-F349 HydrophobicContact CD2-CG 3.98Å; L288-F349 HydrophobicContact CD2-CZ 3.56Å; L288-F349 HydrophobicContact CG-CD2 4.28Å; L288-F349 HydrophobicContact CG-CE2 4.47Å; L288-F349 HydrophobicContact CG-CG 4.29Å; F290-F349 HydrophobicContact CZ-CE2 4.24Å; T309-F349 HydrophobicContact CG2-CE1 4.07Å; T309-F349 HydrophobicContact CG2-CZ 4.05Å; I311-F349 HydrophobicContact CD1-CE2 3.63Å; I311-F349 HydrophobicContact CD1-CZ 3.86Å; F349-V351 HydrophobicContact CE1-CG2 3.99Å; F349-V351 HydrophobicContact CZ-CG2 3.77Å; F349-T360 HydrophobicContact CD2-CG2 3.84Å; F349-T360 HydrophobicContact CE2-CG2 3.24Å; F349-T360 HydrophobicContact CZ-CG2 4Å; F349-F361 WeakPolarHBondContact CA-O 3.37Å; F349-I362 HydrophobicContact CD2-CG1 4.47Å
350E93.9Very high89.7Confident42 Ų4252.5 Ų52.520%0.19627%0.267CS..EExtended strand (participates in β ladder)trans-145.9137.1178.8-167.9176.9-178.800111.5R230 M231 K352 F361R230-E350 CarbonylContact O-C 3.59Å; R230-E350 WeakPolarHBondContact O-CA 3.48Å; M231-E350 VanDerWaalsContact CE-CD 3.44Å; M231-E350 HydrophobicContact CE-CG 3.83Å; M231-E350 VanDerWaalsContact CE-OE1 3.3Å; M231-E350 WeakPolarHBondContact CE-OE1 3.3Å; E350-K352 HydrophobicContact CG-CG 4.02Å; E350-K352 WeakPolarHBondContact OE1-CE 3.46Å; E350-K352 IonicContact OE1-NZ 3.61Å; E350-K352 WeakPolarHBondContact OE2-CE 3.36Å; E350-K352 IonicContact OE2-NZ 3.5Å; E350-K352 PolarHBondContact OE2-NZ 3.36Å; E350-F361 PolarHBondContact N-O 3.22Å; E350-F361 WeakPolarHBondContact O-CB 3.44Å; E350-F361 PolarHBondContact O-N 3.07Å
351V93.6Very high89.9Confident15 Ų1545.5 Ų45.59%0.09123%0.234CC..EExtended strand (participates in β ladder)trans-103.2112.6169.2-176.50000109.3V223 R230 F349 Y358 F359V223-V351 HydrophobicContact CG1-CG2 4.07Å; R230-V351 HydrophobicContact CB-CB 4.27Å; R230-V351 HydrophobicContact CG-CB 4.33Å; R230-V351 PolarHBondContact O-N 2.87Å; F349-V351 HydrophobicContact CE1-CG2 3.99Å; F349-V351 HydrophobicContact CZ-CG2 3.77Å; V351-Y358 HydrophobicContact CG1-CD1 4.25Å; V351-F359 CarbonylContact C-O 3.58Å; V351-F359 WeakPolarHBondContact CA-O 3.39Å
352K90.9Very high90Very high93 Ų9344.4 Ų44.440%0.40423%0.228SC..EExtended strand (participates in β ladder)trans-112147.2174.9-62.5-175.6-177.9169.70110.8E350 F359 F361E350-K352 HydrophobicContact CG-CG 4.02Å; E350-K352 WeakPolarHBondContact OE1-CE 3.46Å; E350-K352 IonicContact OE1-NZ 3.61Å; E350-K352 WeakPolarHBondContact OE2-CE 3.36Å; E350-K352 IonicContact OE2-NZ 3.5Å; E350-K352 PolarHBondContact OE2-NZ 3.36Å; K352-F359 PolarHBondContact N-O 3.34Å; K352-F359 PolarHBondContact O-N 3.35Å; K352-F359 VanDerWaalsContact O-O 3.1Å; K352-F361 HydrophobicContact CB-CD2 4.17Å; K352-F361 HydrophobicContact CB-CE2 3.78Å; K352-F361 HydrophobicContact CD-CE2 4.46Å; K352-F361 HydrophobicContact CG-CD2 4.25Å; K352-F361 HydrophobicContact CG-CE2 4.27Å
353K89.9Confident89.9Confident111 Ų11145.1 Ų45.148%0.48323%0.233SC..EExtended strand (participates in β ladder)trans-89123.7168-162-175.8179.5-158.10108.7G355 D356 E357 Y358K353-G355 WeakPolarHBondContact CE-O 3.47Å; K353-D356 WeakPolarHBondContact CE-O 3.5Å; K353-D356 IonicContact NZ-OD1 3.07Å; K353-E357 WeakPolarHBondContact CA-O 3.29Å; K353-E357 WeakPolarHBondContact CG-O 3.43Å; K353-Y358 HydrophobicContact CB-CD1 4.01Å; K353-Y358 HydrophobicContact CB-CE1 3.94Å; K353-Y358 HydrophobicContact CD-CE1 4.26Å; K353-Y358 HydrophobicContact CG-CD1 4.2Å; K353-Y358 HydrophobicContact CG-CE1 4.11Å
354I86.8Confident89.7Confident30 Ų3052 Ų5215%0.15427%0.265CS..EExtended strand (participates in β ladder)trans-116.8114171.8-59.2-177.7000107.3V203 D356 E357 F359 F361 L374V203-I354 HydrophobicContact CG1-CG2 3.93Å; I354-D356 PolarHBondContact O-N 3.4Å; I354-E357 PolarHBondContact N-O 3.26Å; I354-E357 PolarHBondContact O-N 2.75Å; I354-F359 HydrophobicContact CB-CD2 3.82Å; I354-F359 HydrophobicContact CB-CE2 3.98Å; I354-F359 HydrophobicContact CD1-CD2 4.35Å; I354-F359 HydrophobicContact CG1-CD2 4.15Å; I354-F361 HydrophobicContact CD1-CE2 4.35Å; I354-F361 HydrophobicContact CD1-CZ 3.65Å; I354-L374 HydrophobicContact CD1-CD2 4.29Å
355G82.7Confident89.5Confident57 Ų5747.2 Ų47.259%0.58824%0.24SC*.THydrogen-bonded Turntrans63.3-122.3-168.800000110.5K353K353-G355 WeakPolarHBondContact CE-O 3.47Å
356D85.9Confident89.1Confident143 Ų14351 Ų5177%0.76526%0.257SS*.THydrogen-bonded Turntrans-99.2-5.3-179.7-69.8-40.9000114.5K353 I354K353-D356 WeakPolarHBondContact CE-O 3.5Å; K353-D356 IonicContact NZ-OD1 3.07Å; I354-D356 PolarHBondContact O-N 3.4Å
357E89.8Confident88.6Confident102 Ų10254.8 Ų54.848%0.47728%0.277SS..EExtended strand (participates in β ladder)trans-107.6148.4-175.6-64.7-173.9168.400112.4N220 K353 I354 F359N220-E357 PolarHBondContact ND2-OE2 3.25Å; K353-E357 WeakPolarHBondContact CA-O 3.29Å; K353-E357 WeakPolarHBondContact CG-O 3.43Å; I354-E357 PolarHBondContact N-O 3.26Å; I354-E357 PolarHBondContact O-N 2.75Å; E357-F359 HydrophobicContact CB-CD2 4.41Å; E357-F359 HydrophobicContact CB-CE2 3.71Å; E357-F359 HydrophobicContact CB-CZ 4.1Å
358Y91.6Very high88.1Confident87 Ų8755.5 Ų55.534%0.34128%0.28SS..EExtended strand (participates in β ladder)trans-93.8125.8175.4-72.8-78.3000110.5N220 K221 D222 V351 K353N220-Y358 PolarHBondContact OD1-O 3.36Å; K221-Y358 PolarHBondContact N-O 3.03Å; D222-Y358 HydrophobicContact CB-CD2 4.43Å; D222-Y358 HydrophobicContact CB-CG 4.21Å; V351-Y358 HydrophobicContact CG1-CD1 4.25Å; K353-Y358 HydrophobicContact CB-CD1 4.01Å; K353-Y358 HydrophobicContact CB-CE1 3.94Å; K353-Y358 HydrophobicContact CD-CE1 4.26Å; K353-Y358 HydrophobicContact CG-CD1 4.2Å; K353-Y358 HydrophobicContact CG-CE1 4.11Å
359F93.8Very high87.7Confident1 Ų157.6 Ų57.60%0.00429%0.288CS..EExtended strand (participates in β ladder)trans-117.2134.7177.4-66.9-84.6000110.3E201 V203 M218 I219 N220 V351 K352 I354 E357 F361E201-F359 HydrophobicContact CG-CE1 4.49Å; V203-F359 HydrophobicContact CG1-CE2 4.18Å; V203-F359 HydrophobicContact CG1-CZ 4.19Å; V203-F359 HydrophobicContact CG2-CE1 4.28Å; V203-F359 HydrophobicContact CG2-CE2 4.33Å; V203-F359 HydrophobicContact CG2-CZ 3.82Å; M218-F359 HydrophobicContact CE-CB 4Å; M218-F359 HydrophobicContact CE-CD1 3.09Å; M218-F359 HydrophobicContact CE-CD2 4.07Å; M218-F359 HydrophobicContact CE-CE1 3.38Å; M218-F359 HydrophobicContact CE-CE2 4.32Å; M218-F359 HydrophobicContact CE-CG 3.46Å; M218-F359 VanDerWaalsContact CE-CG 3.46Å; M218-F359 HydrophobicContact CE-CZ 4.01Å; M218-F359 HydrophobicContact CG-CB 4.43Å; M218-F359 HydrophobicContact CG-CD1 4.25Å; I219-F359 WeakPolarHBondContact O-CA 3.32Å; N220-F359 HydrophobicContact CB-CD1 3.83Å; N220-F359 HydrophobicContact CB-CE1 3.55Å; N220-F359 HydrophobicContact CB-CZ 4.47Å; N220-F359 VanDerWaalsContact CG-CE1 3.49Å; V351-F359 CarbonylContact C-O 3.58Å; V351-F359 WeakPolarHBondContact CA-O 3.39Å; K352-F359 PolarHBondContact N-O 3.34Å; K352-F359 PolarHBondContact O-N 3.35Å; K352-F359 VanDerWaalsContact O-O 3.1Å; I354-F359 HydrophobicContact CB-CD2 3.82Å; I354-F359 HydrophobicContact CB-CE2 3.98Å; I354-F359 HydrophobicContact CD1-CD2 4.35Å; I354-F359 HydrophobicContact CG1-CD2 4.15Å; E357-F359 HydrophobicContact CB-CD2 4.41Å; E357-F359 HydrophobicContact CB-CE2 3.71Å; E357-F359 HydrophobicContact CB-CZ 4.1Å; F359-F361 HydrophobicContact CB-CD2 4.42Å; F359-F361 HydrophobicContact CB-CE2 3.52Å; F359-F361 HydrophobicContact CB-CZ 3.78Å; F359-F361 WeakPolarHBondContact O-CD2 3.43Å; F359-F361 WeakPolarHBondContact O-CE2 3.34Å
360T93.7Very high87.5Confident0 Ų057.6 Ų57.60%029%0.288CS..EExtended strand (participates in β ladder)trans-92.7131.1170.3-66.10000109.2M218 I219 K221 I311 F349M218-T360 WeakPolarHBondContact CA-O 3.29Å; I219-T360 PolarHBondContact N-O 3.36Å; I219-T360 PolarHBondContact O-N 3.2Å; K221-T360 PolarHBondContact O-OG1 2.82Å; I311-T360 HydrophobicContact CD1-CG2 3.59Å; F349-T360 HydrophobicContact CD2-CG2 3.84Å; F349-T360 HydrophobicContact CE2-CG2 3.24Å; F349-T360 HydrophobicContact CZ-CG2 4Å
361F93.6Very high87.3Confident8 Ų855.7 Ų55.74%0.03528%0.279CS..EExtended strand (participates in β ladder)trans-113.9127.7177.3-64.5-89.3000109.6L214 M218 F349 E350 K352 I354 F359 T363L214-F361 HydrophobicContact CD1-CD1 4Å; L214-F361 HydrophobicContact CD1-CE1 3.8Å; L214-F361 HydrophobicContact CD2-CD1 4.14Å; L214-F361 HydrophobicContact CD2-CE1 4.47Å; M218-F361 HydrophobicContact CB-CD1 4.27Å; M218-F361 HydrophobicContact CB-CE1 4.18Å; M218-F361 HydrophobicContact CE-CE1 4.46Å; M218-F361 HydrophobicContact CE-CZ 4.2Å; M218-F361 HydrophobicContact CG-CD1 4.17Å; M218-F361 HydrophobicContact CG-CE1 3.69Å; M218-F361 HydrophobicContact CG-CZ 4.05Å; M218-F361 HydrophobicContact SD-CE1 3.59Å; M218-F361 VanDerWaalsContact SD-CE1 3.59Å; M218-F361 HydrophobicContact SD-CZ 3.92Å; F349-F361 WeakPolarHBondContact CA-O 3.37Å; E350-F361 PolarHBondContact N-O 3.22Å; E350-F361 WeakPolarHBondContact O-CB 3.44Å; E350-F361 PolarHBondContact O-N 3.07Å; K352-F361 HydrophobicContact CB-CD2 4.17Å; K352-F361 HydrophobicContact CB-CE2 3.78Å; K352-F361 HydrophobicContact CD-CE2 4.46Å; K352-F361 HydrophobicContact CG-CD2 4.25Å; K352-F361 HydrophobicContact CG-CE2 4.27Å; I354-F361 HydrophobicContact CD1-CE2 4.35Å; I354-F361 HydrophobicContact CD1-CZ 3.65Å; F359-F361 HydrophobicContact CB-CD2 4.42Å; F359-F361 HydrophobicContact CB-CE2 3.52Å; F359-F361 HydrophobicContact CB-CZ 3.78Å; F359-F361 WeakPolarHBondContact O-CD2 3.43Å; F359-F361 WeakPolarHBondContact O-CE2 3.34Å; F361-T363 HydrophobicContact CB-CG2 4.13Å
362I91.8Very high87.3Confident0 Ų055 Ų550%028%0.275CS..EExtended strand (participates in β ladder)trans-112.1109.9164.6-53.1174.5000105.6G216 V217 I237 F290 I322 A346 M348 F349G216-I362 CarbonylContact C-O 3.52Å; G216-I362 VanDerWaalsContact CA-O 3.25Å; G216-I362 WeakPolarHBondContact CA-O 3.29Å; V217-I362 PolarHBondContact N-O 3.14Å; V217-I362 PolarHBondContact O-N 3.36Å; I237-I362 HydrophobicContact CD1-CG2 4.25Å; F290-I362 HydrophobicContact CE1-CD1 4.3Å; F290-I362 HydrophobicContact CE2-CD1 3.9Å; F290-I362 HydrophobicContact CZ-CD1 3.52Å; F290-I362 HydrophobicContact CZ-CG1 4.22Å; I322-I362 HydrophobicContact CB-CD1 4.45Å; I322-I362 HydrophobicContact CD1-CD1 4.35Å; I322-I362 HydrophobicContact CG1-CD1 3.98Å; I322-I362 HydrophobicContact CG2-CD1 3.64Å; A346-I362 HydrophobicContact CB-CG2 3.86Å; M348-I362 WeakPolarHBondContact O-CA 3.42Å; F349-I362 HydrophobicContact CD2-CG1 4.47Å
363T88.3Confident87.5Confident26 Ų2650.5 Ų50.516%0.1626%0.256CS..EExtended strand (participates in β ladder)trans-130.2170.2-170.1520000111.5L214 G347 M348 F361 C365L214-T363 HydrophobicContact CD2-CG2 3.9Å; G347-T363 PolarHBondContact N-O 3.06Å; M348-T363 PolarHBondContact N-O 3.06Å; M348-T363 PolarHBondContact O-N 3.2Å; F361-T363 HydrophobicContact CB-CG2 4.13Å; T363-C365 VanDerWaalsContact C-N 3.26Å; T363-C365 PolarHBondContact O-N 3.46Å
364E84.9Confident87.6Confident144 Ų14445.4 Ų45.467%0.67323%0.234SC*.  trans58.636.2178.5-58.5-179.6174.200112.9G347G347-E364 WeakPolarHBondContact CA-O 3.22Å; G347-E364 PolarHBondContact N-O 3.34Å
365C82.9Confident87.9Confident10 Ų1044.2 Ų44.27%0.06823%0.227CC..  trans-66.8138.9174.6-59.80000110.4A325 K345 T363 P368A325-C365 WeakPolarHBondContact O-CB 3.45Å; K345-C365 CarbonylContact O-C 3.56Å; K345-C365 VanDerWaalsContact O-CA 3.25Å; K345-C365 WeakPolarHBondContact O-CA 3.17Å; T363-C365 VanDerWaalsContact C-N 3.26Å; T363-C365 PolarHBondContact O-N 3.46Å; C365-P368 HydrophobicContact CB-CB 4.12Å; C365-P368 WeakPolarHBondContact O-CD 3.45Å
366K78.3Confident88.3Confident162 Ų16243.2 Ų43.270%0.70421%0.206SC*.SBendtrans-62.6-44.9-178.7-68.8-178.3-179.2176.80112.9K345 P368K345-K366 PolarHBondContact O-N 3.33Å; K366-P368 WeakPolarHBondContact O-CD 3.26Å
367D77.7Confident88.3Confident80 Ų8036.4 Ų36.443%0.42817%0.169SC..SBendtrans-122.876.2176.7-53.6-43.1000108.9K345 K369K345-D367 IonicContact NZ-OD2 3.61Å; K345-D367 PolarHBondContact NZ-OD2 3.04Å; D367-K369 VanDerWaalsContact C-N 3.26Å; D367-K369 PolarHBondContact O-N 3.35Å
368P74.8Confident88.1Confident25 Ų2535.7 Ų35.716%0.16218%0.181CC..  trans-74.281.5-175.229.3-29.6000109.6T181 K215 C365 K366 A370T181-P368 HydrophobicContact CG2-CB 3.99Å; T181-P368 HydrophobicContact CG2-CG 4.01Å; T181-P368 WeakPolarHBondContact CG2-O 3.17Å; K215-P368 HydrophobicContact CB-CB 4.15Å; K215-P368 HydrophobicContact CB-CG 4.13Å; K215-P368 HydrophobicContact CD-CG 4.44Å; K215-P368 HydrophobicContact CG-CG 4.47Å; C365-P368 HydrophobicContact CB-CB 4.12Å; C365-P368 WeakPolarHBondContact O-CD 3.45Å; K366-P368 WeakPolarHBondContact O-CD 3.26Å; P368-A370 PolarHBondContact O-N 2.97Å; P368-A370 VanDerWaalsContact O-N 3.15Å
369K83.9Confident87.8Confident74 Ų7433.5 Ų33.532%0.32218%0.178SC..  trans-74.24.9175.4-63.1-176.1164.5-162.40113.3L184 R324 D367L184-K369 HydrophobicContact CD2-CB 4.18Å; L184-K369 HydrophobicContact CD2-CD 3.41Å; L184-K369 VanDerWaalsContact CD2-CD 3.41Å; L184-K369 HydrophobicContact CD2-CG 3.6Å; R324-K369 HydrophobicContact CG-CB 3.72Å; R324-K369 HydrophobicContact CG-CD 4.39Å; D367-K369 VanDerWaalsContact C-N 3.26Å; D367-K369 PolarHBondContact O-N 3.35Å
370A88.3Confident87.4Confident0 Ų041 Ų410%021%0.211CC..SBendtrans-146.2142.7175.800000109.1Y197 R321 A325 P368Y197-A370 HydrophobicContact CD1-CB 4.41Å; Y197-A370 WeakPolarHBondContact O-CA 3.35Å; R321-A370 HydrophobicContact CB-CB 4.22Å; A325-A370 HydrophobicContact CB-CB 4.41Å; P368-A370 PolarHBondContact O-N 2.97Å; P368-A370 VanDerWaalsContact O-N 3.15Å
371C91.2Very high86.8Confident1 Ų148.2 Ų48.21%0.00725%0.245CC..EExtended strand (participates in β ladder)trans-133154.4-17964.90000111.4T181 Y197 A198 K199 V213 L214 G216T181-C371 HydrophobicContact CG2-CB 3.81Å; Y197-C371 PolarHBondContact O-N 3.41Å; Y197-C371 VanDerWaalsContact O-O 3.04Å; A198-C371 WeakPolarHBondContact CA-O 3.29Å; K199-C371 PolarHBondContact N-O 3.37Å; V213-C371 HydrophobicContact CG1-CB 4.09Å; L214-C371 WeakPolarHBondContact O-CA 3.46Å; L214-C371 WeakPolarHBondContact O-CB 3.44Å; G216-C371 CarbonylContact O-C 3.47Å; G216-C371 WeakPolarHBondContact O-CA 3.38Å
372T92.8Very high86.3Confident0 Ų051.5 Ų51.50%026%0.262CS..EExtended strand (participates in β ladder)trans-117.6126.3169.8-51.40000109.1K199 E201 L214 G216 V217 M218K199-T372 HydrophobicContact CB-CG2 4.14Å; K199-T372 HydrophobicContact CD-CG2 4.2Å; K199-T372 HydrophobicContact CG-CG2 4.35Å; K199-T372 CarbonylContact O-C 3.41Å; K199-T372 VanDerWaalsContact O-CA 3.3Å; K199-T372 WeakPolarHBondContact O-CA 3.37Å; E201-T372 HydrophobicContact CB-CG2 3.95Å; L214-T372 WeakPolarHBondContact CA-O 3.44Å; L214-T372 VanDerWaalsContact CB-O 3.28Å; L214-T372 WeakPolarHBondContact CB-O 3.44Å; L214-T372 PolarHBondContact N-O 3.05Å; L214-T372 PolarHBondContact O-N 2.91Å; L214-T372 VanDerWaalsContact O-N 3.1Å; G216-T372 PolarHBondContact O-N 3.3Å; G216-T372 PolarHBondContact O-OG1 3.2Å; G216-T372 VanDerWaalsContact O-OG1 3.12Å; V217-T372 WeakPolarHBondContact CA-OG1 3.27Å; M218-T372 HydrophobicContact CB-CG2 3.78Å; M218-T372 PolarHBondContact N-OG1 3.11Å; M218-T372 VanDerWaalsContact N-OG1 3.12Å
373I94.2Very high86.1Confident0 Ų051.6 Ų51.60%026%0.263CS..EExtended strand (participates in β ladder)trans-93.2113.5175.3-52.8178000106.7I174 A178 K199 V200 E201 V213 L375 L390 M394I174-I373 HydrophobicContact CG2-CD1 4.24Å; I174-I373 HydrophobicContact CG2-CG2 3.54Å; A178-I373 HydrophobicContact CB-CD1 3.65Å; A178-I373 HydrophobicContact CB-CG1 4.15Å; K199-I373 PolarHBondContact O-N 3.47Å; V200-I373 HydrophobicContact CG2-CB 4.4Å; V200-I373 HydrophobicContact CG2-CD1 4.3Å; E201-I373 PolarHBondContact N-O 2.93Å; V213-I373 HydrophobicContact CG2-CG1 4.39Å; I373-L375 HydrophobicContact CG2-CD2 4.01Å; I373-L375 HydrophobicContact CG2-CG 4.25Å; I373-L390 HydrophobicContact CD1-CD2 3.87Å; I373-L390 HydrophobicContact CG2-CD2 3.82Å; I373-M394 HydrophobicContact CD1-CE 4.02Å; I373-M394 HydrophobicContact CD1-SD 3.49Å; I373-M394 WeakPolarHBondContact CD1-SD 3.27Å
374L93.1Very high85.9Confident4 Ų451.8 Ų51.82%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-84115.9173.1177.460.5000108.2V203 S211 Y212 L214 M218 I354 R376V203-L374 HydrophobicContact CB-CD1 4.17Å; V203-L374 HydrophobicContact CG2-CD1 3.53Å; S211-L374 VanDerWaalsContact CA-O 3.23Å; S211-L374 WeakPolarHBondContact CA-O 3.5Å; S211-L374 VanDerWaalsContact CB-O 3.28Å; S211-L374 WeakPolarHBondContact CB-O 3.32Å; Y212-L374 HydrophobicContact CE1-CD2 3.8Å; Y212-L374 PolarHBondContact N-O 2.91Å; Y212-L374 PolarHBondContact O-N 2.92Å; L214-L374 HydrophobicContact CD1-CB 4.18Å; M218-L374 HydrophobicContact CE-CD1 3.81Å; M218-L374 HydrophobicContact SD-CD1 3.9Å; I354-L374 HydrophobicContact CD1-CD2 4.29Å; L374-R376 HydrophobicContact CG-CG 4.24Å
375L92.5Very high85.7Confident4 Ų447.1 Ų47.12%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-103.9123.9173.1-67.4-176.3000110.5V200 E201 V203 I373 L383 V386 E387 L390V200-L375 HydrophobicContact CG1-CD1 3.28Å; V200-L375 HydrophobicContact CG1-CG 3.72Å; E201-L375 PolarHBondContact O-N 3.37Å; V203-L375 PolarHBondContact N-O 2.77Å; I373-L375 HydrophobicContact CG2-CD2 4.01Å; I373-L375 HydrophobicContact CG2-CG 4.25Å; L375-L383 HydrophobicContact CB-CD2 3.88Å; L375-V386 HydrophobicContact CD1-CG1 4.04Å; L375-V386 HydrophobicContact CD2-CG1 4.24Å; L375-E387 HydrophobicContact CD1-CB 4.14Å; L375-L390 HydrophobicContact CD1-CD2 4.47Å; L375-L390 HydrophobicContact CD2-CD2 4.18Å
376R90.6Very high85.9Confident36 Ų3647.4 Ų47.414%0.13625%0.246CC..EExtended strand (participates in β ladder)trans-111.4146.6176.8-60-68.1-73.7157-5.1109.2V203 P204 G205 I207 I208 D210 S211 L374V203-R376 PolarHBondContact O-NH1 2.9Å; P204-R376 PolarHBondContact O-NH1 2.91Å; G205-R376 PolarHBondContact O-NE 3.38Å; G205-R376 PolarHBondContact O-NH1 3.42Å; G205-R376 PolarHBondContact O-NH2 3.44Å; I207-R376 WeakPolarHBondContact O-CB 3.37Å; I208-R376 WeakPolarHBondContact CA-O 3.11Å; D210-R376 HydrophobicContact CB-CB 4.06Å; D210-R376 HydrophobicContact CB-CG 3.95Å; S211-R376 PolarHBondContact OG-N 3.42Å; S211-R376 PolarHBondContact OG-O 2.91Å; L374-R376 HydrophobicContact CG-CG 4.24Å
377G87.3Confident86.3Confident0 Ų041.5 Ų41.50%022%0.221CC..EExtended strand (participates in β ladder)trans175158.5-173.600000113.5G205G205-G377 PolarHBondContact N-O 3.23Å; G205-G377 PolarHBondContact O-N 2.98Å
378A85.7Confident86.5Confident87 Ų8741.9 Ų41.972%0.71922%0.216SC*.SBendtrans-65.3-45-171.200000113.4
379S85.1Confident86.9Confident41 Ų4140.9 Ų40.929%0.28721%0.21SC..  trans-126.5153-177.676.10000112.1E381 I382 L383S379-E381 VanDerWaalsContact C-N 3.26Å; S379-E381 PolarHBondContact O-N 3.14Å; S379-I382 PolarHBondContact O-N 3.32Å; S379-I382 WeakPolarHBondContact OG-CB 3.5Å; S379-I382 WeakPolarHBondContact OG-CD1 3.13Å; S379-I382 WeakPolarHBondContact OG-CG1 3.34Å; S379-I382 PolarHBondContact OG-N 3.07Å; S379-L383 WeakPolarHBondContact O-CG 3.45Å; S379-L383 PolarHBondContact O-N 2.87Å; S379-L383 VanDerWaalsContact O-N 3.1Å
380K85.4Confident87.1Confident160 Ų16037.5 Ų37.570%0.69620%0.195SC*.Hα-helixtrans-64.5-31.9177.2-69.2-177178.3179.30112.5P204 L383 A384P204-K380 HydrophobicContact CB-CG 4.38Å; K380-L383 PolarHBondContact O-N 3.32Å; K380-A384 PolarHBondContact O-N 2.89Å
381E81.2Confident87Confident151 Ų15141.4 Ų41.471%0.70621%0.214SC*.Hα-helixtrans-68.2-48179-69170-16600111.3S379 L383 A384 E385S379-E381 VanDerWaalsContact C-N 3.26Å; S379-E381 PolarHBondContact O-N 3.14Å; E381-L383 VanDerWaalsContact C-N 3.29Å; E381-L383 PolarHBondContact O-N 3.2Å; E381-A384 WeakPolarHBondContact O-CB 3.47Å; E381-A384 PolarHBondContact O-N 3.02Å; E381-A384 VanDerWaalsContact O-N 3.11Å; E381-E385 PolarHBondContact O-N 3.04Å; E381-E385 VanDerWaalsContact O-N 3.1Å
382I83.1Confident86.7Confident76 Ų7642 Ų4239%0.3922%0.217SC..Hα-helixtrans-61.2-41.9175.1-65.7167.9000109.9S379 A384 E385 V386S379-I382 PolarHBondContact O-N 3.32Å; S379-I382 WeakPolarHBondContact OG-CB 3.5Å; S379-I382 WeakPolarHBondContact OG-CD1 3.13Å; S379-I382 WeakPolarHBondContact OG-CG1 3.34Å; S379-I382 PolarHBondContact OG-N 3.07Å; I382-A384 VanDerWaalsContact C-N 3.28Å; I382-A384 PolarHBondContact O-N 3.42Å; I382-E385 PolarHBondContact O-N 3.32Å; I382-E385 VanDerWaalsContact O-N 3.17Å; I382-V386 HydrophobicContact CG2-CG2 4.13Å; I382-V386 VanDerWaalsContact O-CG2 3.27Å; I382-V386 WeakPolarHBondContact O-CG2 3.31Å; I382-V386 PolarHBondContact O-N 2.96Å
383L87.3Confident86.5Confident3 Ų342 Ų422%0.01622%0.217CC..Hα-helixtrans-61.3-35.4176.5-76.6171.7000113.1K202 L375 S379 K380 E381 E387K202-L383 HydrophobicContact CB-CB 4.44Å; K202-L383 HydrophobicContact CB-CD1 4.38Å; K202-L383 HydrophobicContact CD-CB 4.17Å; K202-L383 HydrophobicContact CG-CB 4.3Å; L375-L383 HydrophobicContact CB-CD2 3.88Å; S379-L383 WeakPolarHBondContact O-CG 3.45Å; S379-L383 PolarHBondContact O-N 2.87Å; S379-L383 VanDerWaalsContact O-N 3.1Å; K380-L383 PolarHBondContact O-N 3.32Å; E381-L383 VanDerWaalsContact C-N 3.29Å; E381-L383 PolarHBondContact O-N 3.2Å; L383-E387 WeakPolarHBondContact O-CB 3.25Å; L383-E387 PolarHBondContact O-N 3.46Å
384A84.3Confident86.3Confident29 Ų2942.1 Ų42.124%0.2422%0.217CC..Hα-helixtrans-68.7-37.2175.800000111.7K380 E381 I382 R388K380-A384 PolarHBondContact O-N 2.89Å; E381-A384 WeakPolarHBondContact O-CB 3.47Å; E381-A384 PolarHBondContact O-N 3.02Å; E381-A384 VanDerWaalsContact O-N 3.11Å; I382-A384 VanDerWaalsContact C-N 3.28Å; I382-A384 PolarHBondContact O-N 3.42Å; A384-R388 WeakPolarHBondContact O-CG 3.45Å; A384-R388 PolarHBondContact O-N 3.08Å
385E80.3Confident86.1Confident46 Ų4643.3 Ų43.322%0.21522%0.223CC..Hα-helixtrans-68.4-43.9173.9-172.3176.3-16900111.8A163 E381 I382 E387 R388 N389A163-E385 HydrophobicContact CB-CG 4.42Å; A163-E385 WeakPolarHBondContact CB-OE1 3.15Å; E381-E385 PolarHBondContact O-N 3.04Å; E381-E385 VanDerWaalsContact O-N 3.1Å; I382-E385 PolarHBondContact O-N 3.32Å; I382-E385 VanDerWaalsContact O-N 3.17Å; E385-E387 VanDerWaalsContact C-N 3.35Å; E385-E387 PolarHBondContact O-N 3.45Å; E385-R388 PolarHBondContact O-N 3.27Å; E385-N389 PolarHBondContact O-N 3.34Å; E385-N389 PolarHBondContact O-ND2 3.41Å; E385-N389 PolarHBondContact O-OD1 3.27Å
386V86.1Confident85.9Confident17 Ų1743.2 Ų43.210%0.10322%0.222CC..Hα-helixtrans-61.4-42.6176.3170.60000111.2L164 L375 I382 R388 N389 L390L164-V386 HydrophobicContact CD1-CB 4.38Å; L164-V386 HydrophobicContact CD1-CG1 4Å; L164-V386 HydrophobicContact CD1-CG2 4.46Å; L164-V386 HydrophobicContact CD2-CG1 4.07Å; L164-V386 HydrophobicContact CD2-CG2 3.89Å; L164-V386 HydrophobicContact CG-CG1 4.41Å; L164-V386 HydrophobicContact CG-CG2 4.1Å; L375-V386 HydrophobicContact CD1-CG1 4.04Å; L375-V386 HydrophobicContact CD2-CG1 4.24Å; I382-V386 HydrophobicContact CG2-CG2 4.13Å; I382-V386 VanDerWaalsContact O-CG2 3.27Å; I382-V386 WeakPolarHBondContact O-CG2 3.31Å; I382-V386 PolarHBondContact O-N 2.96Å; V386-R388 PolarHBondContact O-N 3.19Å; V386-N389 PolarHBondContact O-N 3.03Å; V386-L390 VanDerWaalsContact O-CB 3.26Å; V386-L390 WeakPolarHBondContact O-CB 3.44Å; V386-L390 PolarHBondContact O-N 3.01Å
387E87.2Confident85.8Confident37 Ų3741.5 Ų41.517%0.17322%0.216CC..Hα-helixtrans-57.6-47.3175.7173.1-177.5-164.200111.8V200 K202 L375 L383 E385 L390 Q391V200-E387 HydrophobicContact CB-CG 4.19Å; V200-E387 HydrophobicContact CG1-CB 4.28Å; V200-E387 HydrophobicContact CG1-CG 3.95Å; V200-E387 HydrophobicContact CG2-CG 4.41Å; K202-E387 HydrophobicContact CD-CB 4.36Å; K202-E387 VanDerWaalsContact CD-OE2 3.24Å; K202-E387 WeakPolarHBondContact CD-OE2 3.42Å; K202-E387 WeakPolarHBondContact CE-OE2 3.3Å; K202-E387 IonicContact NZ-OE2 3.52Å; K202-E387 PolarHBondContact NZ-OE2 3.32Å; L375-E387 HydrophobicContact CD1-CB 4.14Å; L383-E387 WeakPolarHBondContact O-CB 3.25Å; L383-E387 PolarHBondContact O-N 3.46Å; E385-E387 VanDerWaalsContact C-N 3.35Å; E385-E387 PolarHBondContact O-N 3.45Å; E387-L390 PolarHBondContact O-N 3.18Å; E387-Q391 WeakPolarHBondContact O-CG 3.33Å; E387-Q391 PolarHBondContact O-N 2.92Å; E387-Q391 PolarHBondContact OE1-NE2 3.45Å
388R81.9Confident86Confident88 Ų8844 Ų4433%0.33223%0.226SC..Hα-helixtrans-61.7-50.8179.1-70.1173.9-173.9178.40.6111A384 E385 V386 L390 Q391 D392A384-R388 WeakPolarHBondContact O-CG 3.45Å; A384-R388 PolarHBondContact O-N 3.08Å; E385-R388 PolarHBondContact O-N 3.27Å; V386-R388 PolarHBondContact O-N 3.19Å; R388-L390 PolarHBondContact O-N 3.27Å; R388-Q391 WeakPolarHBondContact O-CB 3.42Å; R388-Q391 PolarHBondContact O-N 3.48Å; R388-D392 PolarHBondContact O-N 3.24Å
389N83.4Confident86.2Confident5 Ų540.3 Ų40.33%0.02719%0.193CC..Hα-helixtrans-59.9-36179.4-63.1-16.6000112.1K162 L164 E385 V386 A393K162-N389 HydrophobicContact CD-CB 4.04Å; K162-N389 VanDerWaalsContact CD-OD1 3.22Å; K162-N389 WeakPolarHBondContact CD-OD1 2.99Å; L164-N389 HydrophobicContact CD1-CB 3.5Å; L164-N389 HydrophobicContact CG-CB 4.35Å; E385-N389 PolarHBondContact O-N 3.34Å; E385-N389 PolarHBondContact O-ND2 3.41Å; E385-N389 PolarHBondContact O-OD1 3.27Å; V386-N389 PolarHBondContact O-N 3.03Å; N389-A393 PolarHBondContact O-N 3.36Å; N389-A393 VanDerWaalsContact O-N 3.12Å
390L87.9Confident86.4Confident3 Ų338.3 Ų38.32%0.01618%0.18CC..Hα-helixtrans-71.2-37.7176.1-172.970.4000112.1A171 I174 A175 I373 L375 V386 E387 R388 D392 A393 M394A171-L390 HydrophobicContact CB-CD1 4.46Å; A171-L390 WeakPolarHBondContact O-CD1 3.14Å; I174-L390 HydrophobicContact CB-CD1 4.31Å; I174-L390 HydrophobicContact CG2-CD1 3.91Å; I174-L390 HydrophobicContact CG2-CD2 3.87Å; A175-L390 HydrophobicContact CB-CD1 4.01Å; I373-L390 HydrophobicContact CD1-CD2 3.87Å; I373-L390 HydrophobicContact CG2-CD2 3.82Å; L375-L390 HydrophobicContact CD1-CD2 4.47Å; L375-L390 HydrophobicContact CD2-CD2 4.18Å; V386-L390 VanDerWaalsContact O-CB 3.26Å; V386-L390 WeakPolarHBondContact O-CB 3.44Å; V386-L390 PolarHBondContact O-N 3.01Å; E387-L390 PolarHBondContact O-N 3.18Å; R388-L390 PolarHBondContact O-N 3.27Å; L390-D392 VanDerWaalsContact C-N 3.32Å; L390-A393 PolarHBondContact O-N 2.96Å; L390-M394 HydrophobicContact CG-CE 4.26Å; L390-M394 VanDerWaalsContact O-CG 3.31Å; L390-M394 WeakPolarHBondContact O-CG 3.49Å; L390-M394 PolarHBondContact O-N 2.53Å
391Q86.9Confident86.6Confident82 Ų8231.2 Ų31.238%0.38315%0.149SC..Hα-helixtrans-59.4-45.1173.7-75.3173.92.700111.1E387 R388 A393 M394 Q395E387-Q391 WeakPolarHBondContact O-CG 3.33Å; E387-Q391 PolarHBondContact O-N 2.92Å; E387-Q391 PolarHBondContact OE1-NE2 3.45Å; R388-Q391 WeakPolarHBondContact O-CB 3.42Å; R388-Q391 PolarHBondContact O-N 3.48Å; Q391-A393 VanDerWaalsContact C-N 3.34Å; Q391-A393 PolarHBondContact O-N 3.14Å; Q391-M394 HydrophobicContact CB-CE 4.44Å; Q391-M394 HydrophobicContact CG-CE 4Å; Q391-M394 PolarHBondContact O-N 2.92Å; Q391-Q395 WeakPolarHBondContact O-CG 3.48Å; Q391-Q395 PolarHBondContact O-N 3.05Å
392D84.9Confident86.9Confident13 Ų1327 Ų277%0.0713%0.131CC..Hα-helixtrans-63-42.8177.8-55.8-18.6000111.1K162 R388 L390 M394 Q395 V396K162-D392 VanDerWaalsContact NZ-CB 3.25Å; K162-D392 VanDerWaalsContact NZ-CG 3.33Å; K162-D392 IonicContact NZ-OD2 2.87Å; K162-D392 PolarHBondContact NZ-OD2 3.34Å; R388-D392 PolarHBondContact O-N 3.24Å; L390-D392 VanDerWaalsContact C-N 3.32Å; D392-M394 VanDerWaalsContact C-N 3.34Å; D392-M394 PolarHBondContact O-N 2.6Å; D392-Q395 PolarHBondContact O-N 3.24Å; D392-V396 WeakPolarHBondContact O-CG2 3.17Å; D392-V396 PolarHBondContact O-N 3.46Å
393A87.8Confident87.1Confident1 Ų127.4 Ų27.41%0.00813%0.134CC..Hα-helixtrans-60.3-42.317500000112.5V155 I159 A175 N389 L390 Q391 V396 C397V155-A393 HydrophobicContact CG1-CB 3.81Å; I159-A393 HydrophobicContact CD1-CB 3.67Å; I159-A393 HydrophobicContact CG1-CB 3.86Å; A175-A393 HydrophobicContact CB-CB 3.9Å; N389-A393 PolarHBondContact O-N 3.36Å; N389-A393 VanDerWaalsContact O-N 3.12Å; L390-A393 PolarHBondContact O-N 2.96Å; Q391-A393 VanDerWaalsContact C-N 3.34Å; Q391-A393 PolarHBondContact O-N 3.14Å; A393-V396 PolarHBondContact O-N 3.04Å; A393-C397 PolarHBondContact O-N 3.06Å
394M90.4Very high87.2Confident2 Ų229.4 Ų29.41%0.0115%0.147CC..Hα-helixtrans-65.4-38.6175.5-71.4-174-68.600111.8A175 A178 V179 I194 A198 V200 I373 L390 Q391 D392 C397 R398A175-M394 HydrophobicContact CB-CG 3.88Å; A178-M394 HydrophobicContact CB-SD 3.94Å; V179-M394 HydrophobicContact CG2-CB 3.76Å; V179-M394 HydrophobicContact CG2-CG 3.99Å; V179-M394 WeakPolarHBondContact CG2-O 3.31Å; I194-M394 HydrophobicContact CD1-CB 3.88Å; I194-M394 VanDerWaalsContact CD1-O 3.26Å; I194-M394 WeakPolarHBondContact CD1-O 3.35Å; I194-M394 HydrophobicContact CG2-CB 4.08Å; I194-M394 HydrophobicContact CG2-CE 3.9Å; I194-M394 HydrophobicContact CG2-SD 3.9Å; A198-M394 HydrophobicContact CB-SD 4.34Å; V200-M394 HydrophobicContact CG2-CE 4.41Å; I373-M394 HydrophobicContact CD1-CE 4.02Å; I373-M394 HydrophobicContact CD1-SD 3.49Å; I373-M394 WeakPolarHBondContact CD1-SD 3.27Å; L390-M394 HydrophobicContact CG-CE 4.26Å; L390-M394 VanDerWaalsContact O-CG 3.31Å; L390-M394 WeakPolarHBondContact O-CG 3.49Å; L390-M394 PolarHBondContact O-N 2.53Å; Q391-M394 HydrophobicContact CB-CE 4.44Å; Q391-M394 HydrophobicContact CG-CE 4Å; Q391-M394 PolarHBondContact O-N 2.92Å; D392-M394 VanDerWaalsContact C-N 3.34Å; D392-M394 PolarHBondContact O-N 2.6Å; M394-C397 WeakPolarHBondContact O-CB 3.15Å; M394-C397 PolarHBondContact O-N 3.46Å; M394-R398 PolarHBondContact O-N 2.96Å
395Q89.1Confident87.5Confident29 Ų2931.8 Ų31.814%0.13615%0.152CC..Hα-helixtrans-66.6-40.9176.8-69-71.6900111.7V90 I194 Q391 D392 C397 R398 N399V90-Q395 WeakPolarHBondContact O-CB 3.23Å; I194-Q395 HydrophobicContact CD1-CG 4.44Å; Q391-Q395 WeakPolarHBondContact O-CG 3.48Å; Q391-Q395 PolarHBondContact O-N 3.05Å; D392-Q395 PolarHBondContact O-N 3.24Å; Q395-C397 PolarHBondContact O-N 2.84Å; Q395-R398 WeakPolarHBondContact O-CB 3.27Å; Q395-R398 PolarHBondContact O-N 3Å; Q395-N399 PolarHBondContact O-N 3.3Å; Q395-N399 PolarHBondContact O-ND2 3.5Å; Q395-N399 PolarHBondContact O-OD1 3.07Å
396V88.3Confident88.1Confident2 Ų229.6 Ų29.61%0.01214%0.142CC..Hα-helixtrans-59.5-46.4172.9170.10000111.1D92 I154 A158 D392 A393 R398 N399 V400 P497D92-V396 HydrophobicContact CB-CG2 4.34Å; I154-V396 HydrophobicContact CG2-CG1 4.29Å; A158-V396 HydrophobicContact CB-CB 4.43Å; A158-V396 HydrophobicContact CB-CG1 4.32Å; A158-V396 HydrophobicContact CB-CG2 3.91Å; D392-V396 WeakPolarHBondContact O-CG2 3.17Å; D392-V396 PolarHBondContact O-N 3.46Å; A393-V396 PolarHBondContact O-N 3.04Å; V396-R398 VanDerWaalsContact C-N 3.34Å; V396-R398 PolarHBondContact O-N 3.37Å; V396-N399 PolarHBondContact O-N 2.74Å; V396-V400 WeakPolarHBondContact O-CG2 3.36Å; V396-V400 PolarHBondContact O-N 3.26Å; V396-V400 VanDerWaalsContact O-N 3.11Å; V396-P497 HydrophobicContact CG1-CG 3.89Å
397C89.1Confident88.3Confident0 Ų028.8 Ų28.80%014%0.137CC..Hα-helixtrans-54.4-48.9172.2-79.50000112.1V155 V179 A393 M394 Q395 N399 V400 L401V155-C397 WeakPolarHBondContact CG2-SG 3.42Å; V179-C397 HydrophobicContact CB-CB 4.05Å; V179-C397 HydrophobicContact CG1-CB 4.06Å; V179-C397 HydrophobicContact CG2-CB 3.81Å; A393-C397 PolarHBondContact O-N 3.06Å; M394-C397 WeakPolarHBondContact O-CB 3.15Å; M394-C397 PolarHBondContact O-N 3.46Å; Q395-C397 PolarHBondContact O-N 2.84Å; C397-N399 VanDerWaalsContact C-N 3.35Å; C397-N399 PolarHBondContact O-N 3.43Å; C397-V400 PolarHBondContact O-N 3.16Å; C397-L401 WeakPolarHBondContact O-CG 3.43Å; C397-L401 PolarHBondContact O-N 3.34Å
398R90.8Very high88.6Confident53 Ų5327.3 Ų27.320%0.213%0.131CC..Hα-helixtrans-59.1-45.7179.2163.5177174.5-111.6-6.1111.4E89 I192 I194 M394 Q395 V396 V400 L401 L402E89-R398 PolarHBondContact O-NH1 3.24Å; I192-R398 HydrophobicContact CB-CG 4.03Å; I192-R398 HydrophobicContact CD1-CG 4.45Å; I192-R398 HydrophobicContact CG2-CB 4.17Å; I192-R398 HydrophobicContact CG2-CG 4.1Å; I192-R398 WeakPolarHBondContact O-CD 3.48Å; I192-R398 PolarHBondContact O-NE 3.4Å; I194-R398 HydrophobicContact CD1-CB 3.68Å; I194-R398 HydrophobicContact CD1-CG 4.34Å; M394-R398 PolarHBondContact O-N 2.96Å; Q395-R398 WeakPolarHBondContact O-CB 3.27Å; Q395-R398 PolarHBondContact O-N 3Å; V396-R398 VanDerWaalsContact C-N 3.34Å; V396-R398 PolarHBondContact O-N 3.37Å; R398-V400 VanDerWaalsContact C-N 3.31Å; R398-V400 PolarHBondContact O-N 3.21Å; R398-L401 PolarHBondContact O-N 3.38Å; R398-L402 HydrophobicContact CG-CD1 3.88Å; R398-L402 HydrophobicContact CG-CG 4.47Å; R398-L402 WeakPolarHBondContact O-CG 3.4Å; R398-L402 PolarHBondContact O-N 2.93Å
399N90.5Very high89Confident8 Ų823.1 Ų23.14%0.04312%0.115CC..Hα-helixtrans-60.7-42.3-179.4-65.6-23.1000111.4V90 Q395 V396 C397 L402 D403 P497 A499 V500V90-N399 PolarHBondContact O-ND2 2.96Å; Q395-N399 PolarHBondContact O-N 3.3Å; Q395-N399 PolarHBondContact O-ND2 3.5Å; Q395-N399 PolarHBondContact O-OD1 3.07Å; V396-N399 PolarHBondContact O-N 2.74Å; C397-N399 VanDerWaalsContact C-N 3.35Å; C397-N399 PolarHBondContact O-N 3.43Å; N399-L402 PolarHBondContact O-N 2.94Å; N399-D403 PolarHBondContact O-N 3.45Å; N399-P497 HydrophobicContact CB-CB 4.3Å; N399-A499 HydrophobicContact CB-CB 4.3Å; N399-V500 WeakPolarHBondContact ND2-CG2 3.3Å
400V89.3Confident89.2Confident0 Ų023.6 Ų23.60%012%0.121CC..Hα-helixtrans-70.6-34.5178.91780000112.3M151 I154 V396 C397 R398 D403 P404 L406 P497M151-V400 HydrophobicContact CE-CB 4.2Å; M151-V400 HydrophobicContact CE-CG1 4.05Å; M151-V400 HydrophobicContact SD-CB 4.39Å; M151-V400 HydrophobicContact SD-CG1 3.6Å; I154-V400 HydrophobicContact CD1-CG1 4.17Å; I154-V400 HydrophobicContact CG2-CG2 3.99Å; V396-V400 WeakPolarHBondContact O-CG2 3.36Å; V396-V400 PolarHBondContact O-N 3.26Å; V396-V400 VanDerWaalsContact O-N 3.11Å; C397-V400 PolarHBondContact O-N 3.16Å; R398-V400 VanDerWaalsContact C-N 3.31Å; R398-V400 PolarHBondContact O-N 3.21Å; V400-D403 CarbonylContact O-C 3.29Å; V400-P404 WeakPolarHBondContact O-CA 3.49Å; V400-L406 HydrophobicContact CG2-CD2 4.01Å; V400-P497 HydrophobicContact CG2-CB 4.14Å; V400-P497 HydrophobicContact CG2-CG 3.88Å
401L87.8Confident89.3Confident11 Ų1123.6 Ų23.66%0.05812%0.122CC..Hα-helixtrans-70.6-31.8176.1-72.6172.2000112.9T145 M151 V179 I192 C397 R398T145-L401 HydrophobicContact CG2-CD2 4.2Å; M151-L401 HydrophobicContact CE-CD2 4.32Å; M151-L401 HydrophobicContact CE-CG 4.22Å; V179-L401 HydrophobicContact CG1-CD1 3.43Å; V179-L401 VanDerWaalsContact CG1-CD1 3.43Å; I192-L401 HydrophobicContact CD1-CB 3.8Å; I192-L401 HydrophobicContact CD1-CD1 3.8Å; I192-L401 HydrophobicContact CD1-CG 4.48Å; C397-L401 WeakPolarHBondContact O-CG 3.43Å; C397-L401 PolarHBondContact O-N 3.34Å; R398-L401 PolarHBondContact O-N 3.38Å
402L87.7Confident89.6Confident61 Ų6119.7 Ų19.732%0.31910%0.104SC..Hα-helixtrans-79.1-49.4176-67.2174.6000111.4K190 R398 N399K190-L402 HydrophobicContact CB-CD2 4.01Å; K190-L402 VanDerWaalsContact O-CD2 3.27Å; K190-L402 WeakPolarHBondContact O-CD2 2.9Å; R398-L402 HydrophobicContact CG-CD1 3.88Å; R398-L402 HydrophobicContact CG-CG 4.47Å; R398-L402 WeakPolarHBondContact O-CG 3.4Å; R398-L402 PolarHBondContact O-N 2.93Å; N399-L402 PolarHBondContact O-N 2.94Å
403D87.8Confident90Very high86 Ų8619.1 Ų19.146%0.4610%0.101SC..SBendtrans-123.898.5-179.2-69.1-39.2000109.8N399 V400 F405N399-D403 PolarHBondContact O-N 3.45Å; V400-D403 CarbonylContact O-C 3.29Å; D403-F405 PolarHBondContact O-N 2.84Å
404P89.7Confident90.3Very high44 Ų4419.2 Ų19.229%0.28610%0.101SC..  trans-8151.6-171.334.7-38.3000112.8P142 V143 T145 V400P142-P404 CarbonylContact C-O 3.59Å; P142-P404 WeakPolarHBondContact CA-O 3.41Å; V143-P404 PolarHBondContact N-O 2.87Å; V143-P404 WeakPolarHBondContact O-CB 3.27Å; T145-P404 HydrophobicContact CG2-CB 3.85Å; V400-P404 WeakPolarHBondContact O-CA 3.49Å
405F91.4Very high90.5Very high79 Ų7919.3 Ų19.335%0.34610%0.101SC..EExtended strand (participates in β ladder)trans-125.9130.6179.6-68.7-81.3000110.6S140 P142 D403 L498S140-F405 WeakPolarHBondContact OG-CD1 3.32Å; P142-F405 HydrophobicContact CB-CD1 4.3Å; P142-F405 HydrophobicContact CB-CE1 4.09Å; D403-F405 PolarHBondContact O-N 2.84Å; F405-L498 HydrophobicContact CB-CB 3.77Å; F405-L498 HydrophobicContact CB-CD2 3.64Å; F405-L498 HydrophobicContact CB-CG 4.35Å; F405-L498 HydrophobicContact CD2-CD2 4.39Å; F405-L498 HydrophobicContact CG-CD2 4.1Å; F405-L498 WeakPolarHBondContact O-CB 3.37Å; F405-L498 PolarHBondContact O-N 2.92Å
406L91.4Very high90.6Very high1 Ų118.6 Ų18.61%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-116.7159.5177.8-63.4-174.9000111.9S140 T141 V143 I154 V400 W495S140-L406 WeakPolarHBondContact CA-O 3.29Å; T141-L406 PolarHBondContact N-O 3.06Å; T141-L406 PolarHBondContact O-N 3.02Å; T141-L406 PolarHBondContact OG1-O 3.21Å; V143-L406 HydrophobicContact CB-CD1 4.49Å; V143-L406 HydrophobicContact CB-CG 4.44Å; V143-L406 HydrophobicContact CG2-CB 4.15Å; V143-L406 HydrophobicContact CG2-CD1 3.42Å; V143-L406 VanDerWaalsContact CG2-CD1 3.42Å; V143-L406 HydrophobicContact CG2-CG 3.5Å; I154-L406 HydrophobicContact CD1-CD1 3.56Å; I154-L406 HydrophobicContact CD1-CD2 4.33Å; I154-L406 HydrophobicContact CD1-CG 4.4Å; I154-L406 HydrophobicContact CG1-CD1 3.6Å; I154-L406 HydrophobicContact CG2-CD2 4.08Å; V400-L406 HydrophobicContact CG2-CD2 4.01Å; L406-W495 HydrophobicContact CB-CB 4.39Å; L406-W495 HydrophobicContact CB-CD2 4.49Å; L406-W495 HydrophobicContact CB-CE3 3.95Å; L406-W495 HydrophobicContact CD1-CB 3.82Å; L406-W495 HydrophobicContact CD1-CD2 4.36Å; L406-W495 HydrophobicContact CD1-CG 4.03Å
407L92Very high90.9Very high0 Ų018.5 Ų18.50%010%0.1CC..EExtended strand (participates in β ladder)trans-133.7149.4177.1-70.2169.3000110.5L136 V139 G409 V413 W495 E496 L498 K501L136-L407 HydrophobicContact CD2-CD1 3.7Å; V139-L407 HydrophobicContact CB-CD2 4.06Å; V139-L407 HydrophobicContact CG1-CD2 3.88Å; L407-G409 PolarHBondContact O-N 2.92Å; L407-V413 HydrophobicContact CB-CG2 3.63Å; L407-V413 HydrophobicContact CD1-CG1 4.34Å; L407-V413 HydrophobicContact CD1-CG2 4.3Å; L407-V413 HydrophobicContact CD2-CG2 4.24Å; L407-V413 HydrophobicContact CG-CG2 4.3Å; L407-W495 WeakPolarHBondContact O-CA 3.44Å; L407-E496 PolarHBondContact N-O 3.48Å; L407-E496 PolarHBondContact O-N 3.41Å; L407-L498 HydrophobicContact CD1-CB 4.4Å; L407-L498 HydrophobicContact CD1-CD1 3.67Å; L407-L498 HydrophobicContact CG-CD1 4.32Å; L407-K501 HydrophobicContact CD1-CB 3.99Å; L407-K501 HydrophobicContact CD1-CG 4Å
408P91.9Very high91.1Very high6 Ų618.7 Ų18.74%0.03910%0.101CC..EExtended strand (participates in β ladder)trans-66.8130176.125.9-31.3000110.7A412 V413 M489P408-A412 HydrophobicContact CB-CB 4.09Å; P408-A412 HydrophobicContact CG-CB 4.22Å; P408-V413 HydrophobicContact CG-CG2 4.05Å; P408-V413 WeakPolarHBondContact O-CG2 3.4Å; P408-M489 HydrophobicContact CB-CB 3.86Å
409G90.3Very high91.2Very high0 Ų019.2 Ų19.20%011%0.105CC..THydrogen-bonded Turntrans-80.9-151.6-176.500000114.7L407 G411 A412 M489 I494 E496L407-G409 PolarHBondContact O-N 2.92Å; G409-G411 PolarHBondContact O-N 3.48Å; G409-G411 VanDerWaalsContact O-N 3.1Å; G409-A412 VanDerWaalsContact O-CB 3.23Å; G409-A412 WeakPolarHBondContact O-CB 3.24Å; G409-A412 PolarHBondContact O-N 3.36Å; G409-M489 WeakPolarHBondContact O-CG 3.22Å; G409-I494 PolarHBondContact N-O 3.42Å; G409-E496 VanDerWaalsContact CA-OE2 3.3Å; G409-E496 WeakPolarHBondContact CA-OE2 3.43Å
410G88.3Confident91.2Very high15 Ų1523.5 Ų23.516%0.15512%0.12CC..THydrogen-bonded Turntrans61.924.8168.500000115.5A412 V479G410-A412 VanDerWaalsContact C-N 3.31Å; G410-V479 PolarHBondContact O-N 2.96Å
411G90.8Very high91.4Very high3 Ų323.5 Ų23.53%0.03112%0.12CC..THydrogen-bonded Turntrans82.22.9-176.800000114.8G409 E414 M415G409-G411 PolarHBondContact O-N 3.48Å; G409-G411 VanDerWaalsContact O-N 3.1Å; G411-E414 VanDerWaalsContact C-OE2 3.31Å; G411-E414 WeakPolarHBondContact CA-OE2 3.41Å; G411-M415 VanDerWaalsContact O-CG 3.29Å; G411-M415 WeakPolarHBondContact O-CG 3.5Å; G411-M415 PolarHBondContact O-N 2.81Å
412A93Very high91.6Very high0 Ų024.4 Ų24.40%013%0.126CC..Hα-helixtrans-65-44.8-177.700000111.8P408 G409 G410 M415 A416 H469 W477 M489P408-A412 HydrophobicContact CB-CB 4.09Å; P408-A412 HydrophobicContact CG-CB 4.22Å; G409-A412 VanDerWaalsContact O-CB 3.23Å; G409-A412 WeakPolarHBondContact O-CB 3.24Å; G409-A412 PolarHBondContact O-N 3.36Å; G410-A412 VanDerWaalsContact C-N 3.31Å; A412-M415 PolarHBondContact O-N 3.2Å; A412-A416 WeakPolarHBondContact O-CB 3.27Å; A412-A416 PolarHBondContact O-N 3.5Å; A412-H469 PolarHBondContact O-CE1 3.47Å; A412-W477 WeakPolarHBondContact CA-O 3.43Å; A412-W477 VanDerWaalsContact CB-O 3.22Å; A412-W477 WeakPolarHBondContact CB-O 3.32Å; A412-M489 HydrophobicContact CB-CG 4.2Å
413V93.5Very high91.8Very high1 Ų125.2 Ų25.21%0.00613%0.129CC..Hα-helixtrans-64.5-43.4178.81720000111.5L136 L407 P408 M415 A416 V417L136-V413 HydrophobicContact CD2-CG1 3.27Å; L407-V413 HydrophobicContact CB-CG2 3.63Å; L407-V413 HydrophobicContact CD1-CG1 4.34Å; L407-V413 HydrophobicContact CD1-CG2 4.3Å; L407-V413 HydrophobicContact CD2-CG2 4.24Å; L407-V413 HydrophobicContact CG-CG2 4.3Å; P408-V413 HydrophobicContact CG-CG2 4.05Å; P408-V413 WeakPolarHBondContact O-CG2 3.4Å; V413-M415 VanDerWaalsContact C-N 3.26Å; V413-M415 PolarHBondContact O-N 3.32Å; V413-A416 PolarHBondContact O-N 3.28Å; V413-V417 HydrophobicContact CG1-CG2 4.19Å; V413-V417 WeakPolarHBondContact O-CB 3.37Å; V413-V417 VanDerWaalsContact O-CG2 3.26Å; V413-V417 WeakPolarHBondContact O-CG2 3.42Å; V413-V417 PolarHBondContact O-N 2.89Å
414E94.3Very high91.9Very high2 Ų224 Ų241%0.00912%0.117CC..Hα-helixtrans-59.5-40.4178.2-7175.3-172.900111G411 S418 L443 I446 K501 Y505G411-E414 VanDerWaalsContact C-OE2 3.31Å; G411-E414 WeakPolarHBondContact CA-OE2 3.41Å; E414-S418 WeakPolarHBondContact O-CB 3.16Å; E414-S418 PolarHBondContact O-N 3.18Å; E414-L443 HydrophobicContact CB-CB 4.44Å; E414-I446 HydrophobicContact CG-CB 3.97Å; E414-I446 HydrophobicContact CG-CG1 4.19Å; E414-I446 HydrophobicContact CG-CG2 4.18Å; E414-K501 IonicContact OE1-NZ 2.69Å; E414-K501 PolarHBondContact OE1-NZ 2.77Å; E414-K501 IonicContact OE2-NZ 3.24Å; E414-Y505 WeakPolarHBondContact CG-OH 3.22Å
415M93.3Very high92Very high5 Ų521.9 Ų21.93%0.02510%0.104CC..Hα-helixtrans-69.6-41.1175.6-67.4-55.3-5400112.7G411 A412 V413 S418 K419 E444 P447 L462 L465 R466G411-M415 VanDerWaalsContact O-CG 3.29Å; G411-M415 WeakPolarHBondContact O-CG 3.5Å; G411-M415 PolarHBondContact O-N 2.81Å; A412-M415 PolarHBondContact O-N 3.2Å; V413-M415 VanDerWaalsContact C-N 3.26Å; V413-M415 PolarHBondContact O-N 3.32Å; M415-S418 PolarHBondContact O-N 3.05Å; M415-K419 WeakPolarHBondContact O-CB 3.45Å; M415-K419 PolarHBondContact O-N 2.6Å; M415-E444 HydrophobicContact CE-CG 4.37Å; M415-E444 HydrophobicContact SD-CB 4.34Å; M415-E444 HydrophobicContact SD-CG 3.93Å; M415-P447 HydrophobicContact CG-CG 4.1Å; M415-P447 HydrophobicContact SD-CG 3.78Å; M415-L462 HydrophobicContact SD-CD1 4.32Å; M415-L465 HydrophobicContact CG-CD2 3.56Å; M415-L465 HydrophobicContact CG-CG 3.92Å; M415-L465 HydrophobicContact SD-CD2 4.09Å; M415-R466 HydrophobicContact CE-CB 4.32Å; M415-R466 HydrophobicContact CE-CG 3.42Å; M415-R466 VanDerWaalsContact CE-CG 3.42Å
416A92.4Very high92Very high13 Ų1327 Ų2711%0.10712%0.121CC..Hα-helixtrans-62.7-4617800000111.7A412 V413 K419 R420 V475A412-A416 WeakPolarHBondContact O-CB 3.27Å; A412-A416 PolarHBondContact O-N 3.5Å; V413-A416 PolarHBondContact O-N 3.28Å; A416-K419 PolarHBondContact O-N 2.69Å; A416-R420 PolarHBondContact O-N 3.24Å; A416-R420 VanDerWaalsContact O-N 3.09Å; A416-V475 HydrophobicContact CB-CG1 3.72Å
417V93.7Very high91.9Very high1 Ų130.9 Ų30.91%0.00615%0.153CC..Hα-helixtrans-66.2-43.9176.5176.10000110.3M132 L136 V413 K419 R420 L421 L443 Y505M132-V417 HydrophobicContact CB-CG1 4.11Å; M132-V417 HydrophobicContact CG-CG1 3.54Å; M132-V417 HydrophobicContact SD-CG1 4.25Å; L136-V417 HydrophobicContact CD2-CG2 4.18Å; V413-V417 HydrophobicContact CG1-CG2 4.19Å; V413-V417 WeakPolarHBondContact O-CB 3.37Å; V413-V417 VanDerWaalsContact O-CG2 3.26Å; V413-V417 WeakPolarHBondContact O-CG2 3.42Å; V413-V417 PolarHBondContact O-N 2.89Å; V417-K419 VanDerWaalsContact C-N 3.33Å; V417-K419 PolarHBondContact O-N 3.36Å; V417-R420 PolarHBondContact O-N 3.27Å; V417-L421 HydrophobicContact CG1-CD1 4.09Å; V417-L421 HydrophobicContact CG1-CG 4.23Å; V417-L421 WeakPolarHBondContact O-CB 3.19Å; V417-L421 WeakPolarHBondContact O-CG 3.38Å; V417-L421 PolarHBondContact O-N 3.29Å; V417-L443 HydrophobicContact CB-CD1 4.06Å; V417-L443 HydrophobicContact CG1-CD1 3.55Å; V417-Y505 HydrophobicContact CG1-CE2 4.44Å; V417-Y505 HydrophobicContact CG2-CE2 4.31Å
418S93.6Very high91.7Very high4 Ų432.5 Ų32.53%0.02816%0.162CC..Hα-helixtrans-56.4-44175.1179.30000112.6E414 M415 T422 A440E414-S418 WeakPolarHBondContact O-CB 3.16Å; E414-S418 PolarHBondContact O-N 3.18Å; M415-S418 PolarHBondContact O-N 3.05Å; S418-T422 WeakPolarHBondContact O-CB 3.44Å; S418-T422 PolarHBondContact O-N 2.85Å; S418-T422 PolarHBondContact O-OG1 2.82Å; S418-A440 VanDerWaalsContact CB-O 3.25Å; S418-A440 WeakPolarHBondContact CB-O 3.43Å; S418-A440 PolarHBondContact OG-O 3.19Å
419K91.8Very high91.5Very high64 Ų6438.2 Ų38.228%0.27820%0.197SC..Hα-helixtrans-60.2-51.3175.2179.1-176177.9-173.10111M415 A416 V417 L421 T422 E423 H469 T470M415-K419 WeakPolarHBondContact O-CB 3.45Å; M415-K419 PolarHBondContact O-N 2.6Å; A416-K419 PolarHBondContact O-N 2.69Å; V417-K419 VanDerWaalsContact C-N 3.33Å; V417-K419 PolarHBondContact O-N 3.36Å; K419-L421 PolarHBondContact O-N 3.43Å; K419-T422 WeakPolarHBondContact O-CB 3.33Å; K419-T422 PolarHBondContact O-N 3.11Å; K419-T422 VanDerWaalsContact O-N 3.11Å; K419-E423 WeakPolarHBondContact CE-OE1 3.35Å; K419-E423 WeakPolarHBondContact O-CG 3.18Å; K419-E423 PolarHBondContact O-N 3.09Å; K419-H469 WeakPolarHBondContact CD-O 3.45Å; K419-H469 VanDerWaalsContact CE-O 3.31Å; K419-H469 WeakPolarHBondContact CE-O 3.31Å; K419-H469 PolarHBondContact NZ-O 3.29Å; K419-T470 PolarHBondContact NZ-O 2.95Å
420R91.5Very high91.4Very high97 Ų9740.4 Ų40.437%0.36622%0.219SC..Hα-helixtrans-62.6-44.5-177.4-164.482.6163.9127.1-1.4112.2T135 A416 V417 T422 E423 R424T135-R420 HydrophobicContact CG2-CB 3.67Å; T135-R420 HydrophobicContact CG2-CG 3.42Å; T135-R420 VanDerWaalsContact CG2-CG 3.42Å; A416-R420 PolarHBondContact O-N 3.24Å; A416-R420 VanDerWaalsContact O-N 3.09Å; V417-R420 PolarHBondContact O-N 3.27Å; R420-T422 VanDerWaalsContact C-N 3.3Å; R420-T422 PolarHBondContact O-N 2.64Å; R420-E423 IonicContact NH1-OE2 3.67Å; R420-E423 WeakPolarHBondContact O-CB 3.47Å; R420-E423 PolarHBondContact O-N 3.3Å; R420-R424 PolarHBondContact O-N 3.46Å
421L92.9Very high91.4Very high1 Ų144.1 Ų44.11%0.00524%0.239CC..Hα-helixtrans-60.9-42.3174.3-68.8179.6000110.3D131 M132 V417 K419 E423 R424 S425 Y436 V439 A440 L443D131-L421 HydrophobicContact CB-CD2 3.77Å; M132-L421 HydrophobicContact CG-CD1 3.68Å; M132-L421 HydrophobicContact CG-CD2 4.17Å; M132-L421 HydrophobicContact CG-CG 4.28Å; M132-L421 HydrophobicContact SD-CD1 4.05Å; V417-L421 HydrophobicContact CG1-CD1 4.09Å; V417-L421 HydrophobicContact CG1-CG 4.23Å; V417-L421 WeakPolarHBondContact O-CB 3.19Å; V417-L421 WeakPolarHBondContact O-CG 3.38Å; V417-L421 PolarHBondContact O-N 3.29Å; K419-L421 PolarHBondContact O-N 3.43Å; L421-E423 VanDerWaalsContact C-N 3.28Å; L421-E423 PolarHBondContact O-N 3.17Å; L421-R424 PolarHBondContact O-N 3.13Å; L421-S425 VanDerWaalsContact O-CB 3.29Å; L421-S425 WeakPolarHBondContact O-CB 3.21Å; L421-S425 PolarHBondContact O-N 3.26Å; L421-Y436 HydrophobicContact CB-CE1 4.23Å; L421-Y436 HydrophobicContact CD2-CE1 4.21Å; L421-Y436 HydrophobicContact CD2-CE2 4.36Å; L421-Y436 VanDerWaalsContact CD2-OH 3.23Å; L421-Y436 WeakPolarHBondContact CD2-OH 3.21Å; L421-Y436 VanDerWaalsContact O-CE1 3.31Å; L421-Y436 WeakPolarHBondContact O-CE1 3.5Å; L421-V439 HydrophobicContact CD1-CG1 4.36Å; L421-A440 HydrophobicContact CB-CB 3.65Å; L421-A440 HydrophobicContact CD1-CB 4.18Å; L421-L443 HydrophobicContact CD1-CD1 3.92Å
422T92.4Very high91.3Very high30 Ų3047 Ų4718%0.18425%0.252CS..Hα-helixtrans-61.6-37.6176.9-58.50000111.9S418 K419 R420 S425S418-T422 WeakPolarHBondContact O-CB 3.44Å; S418-T422 PolarHBondContact O-N 2.85Å; S418-T422 PolarHBondContact O-OG1 2.82Å; K419-T422 WeakPolarHBondContact O-CB 3.33Å; K419-T422 PolarHBondContact O-N 3.11Å; K419-T422 VanDerWaalsContact O-N 3.11Å; R420-T422 VanDerWaalsContact C-N 3.3Å; R420-T422 PolarHBondContact O-N 2.64Å; T422-S425 PolarHBondContact O-OG 2.94Å
423E91.1Very high91.3Very high78 Ų7849.4 Ų49.436%0.36426%0.262SS..Hα-helixtrans-67.3-49.6174.2-70169.8179.800112.3K419 R420 L421 S425 R426K419-E423 WeakPolarHBondContact CE-OE1 3.35Å; K419-E423 WeakPolarHBondContact O-CG 3.18Å; K419-E423 PolarHBondContact O-N 3.09Å; R420-E423 IonicContact NH1-OE2 3.67Å; R420-E423 WeakPolarHBondContact O-CB 3.47Å; R420-E423 PolarHBondContact O-N 3.3Å; L421-E423 VanDerWaalsContact C-N 3.28Å; L421-E423 PolarHBondContact O-N 3.17Å; E423-S425 PolarHBondContact O-N 2.91Å; E423-R426 WeakPolarHBondContact O-CB 3.14Å; E423-R426 PolarHBondContact O-N 3.14Å; E423-R426 VanDerWaalsContact O-N 3.07Å
424R91.1Very high91.3Very high59 Ų5956.1 Ų56.122%0.22329%0.288CS..Hα-helixtrans-59-37.1176-74.3-168.8-178.5-1674.3111.2D131 E134 R420 L421 R426 A427 L428 Y436D131-R424 IonicContact OD1-CZ 3.07Å; D131-R424 IonicContact OD1-NH1 2.81Å; D131-R424 PolarHBondContact OD1-NH1 2.86Å; D131-R424 IonicContact OD2-NH1 2.74Å; E134-R424 IonicContact OE2-CZ 2.77Å; E134-R424 IonicContact OE2-NH1 3.95Å; E134-R424 PolarHBondContact OE2-NH1 3.28Å; E134-R424 IonicContact OE2-NH2 3.31Å; E134-R424 PolarHBondContact OE2-NH2 3.44Å; E134-R424 VanDerWaalsContact OE2-NH2 3.16Å; R420-R424 PolarHBondContact O-N 3.46Å; L421-R424 PolarHBondContact O-N 3.13Å; R424-R426 PolarHBondContact O-N 3.27Å; R424-A427 WeakPolarHBondContact O-CB 3.49Å; R424-A427 PolarHBondContact O-N 3.33Å; R424-L428 PolarHBondContact O-N 3.17Å; R424-Y436 HydrophobicContact CB-CE1 4.29Å; R424-Y436 VanDerWaalsContact CB-OH 3.32Å; R424-Y436 WeakPolarHBondContact CB-OH 3.34Å
425S92.1Very high91.2Very high0 Ų056 Ų560%029%0.287CS..Hα-helixtrans-59.5-30.1177.481.60000112.8L421 T422 E423 A427 L428 Q433L421-S425 VanDerWaalsContact O-CB 3.29Å; L421-S425 WeakPolarHBondContact O-CB 3.21Å; L421-S425 PolarHBondContact O-N 3.26Å; T422-S425 PolarHBondContact O-OG 2.94Å; E423-S425 PolarHBondContact O-N 2.91Å; S425-A427 VanDerWaalsContact C-N 3.29Å; S425-A427 PolarHBondContact O-N 3.43Å; S425-L428 PolarHBondContact O-N 2.87Å; S425-Q433 VanDerWaalsContact O-CG 3.32Å; S425-Q433 WeakPolarHBondContact O-CG 3.37Å; S425-Q433 PolarHBondContact O-NE2 3.44Å
426R90.1Very high91.3Very high186 Ų18655.8 Ų55.870%0.70229%0.286SS*.Hα-helixtrans-71.5-26177.8-65.3178.3-177.6178.11.2112.8E423 R424E423-R426 WeakPolarHBondContact O-CB 3.14Å; E423-R426 PolarHBondContact O-N 3.14Å; E423-R426 VanDerWaalsContact O-N 3.07Å; R424-R426 PolarHBondContact O-N 3.27Å
427A89.3Confident91.4Very high84 Ų8459.5 Ų59.569%0.69430%0.298SS*.Hα-helixtrans-83.1-23.7176.800000112.4R424 S425R424-A427 WeakPolarHBondContact O-CB 3.49Å; R424-A427 PolarHBondContact O-N 3.33Å; S425-A427 VanDerWaalsContact C-N 3.29Å; S425-A427 PolarHBondContact O-N 3.43Å
428L88.7Confident91.4Very high34 Ų3459.6 Ų59.618%0.17830%0.298CS..  trans-71.7131.3176.5-66.8174.4000111.2R424 S425 Q433 Y436R424-L428 PolarHBondContact O-N 3.17Å; S425-L428 PolarHBondContact O-N 2.87Å; L428-Q433 PolarHBondContact O-NE2 3.39Å; L428-Y436 HydrophobicContact CD1-CD1 3.8Å; L428-Y436 HydrophobicContact CD1-CD2 3.8Å; L428-Y436 HydrophobicContact CD1-CE1 3.97Å; L428-Y436 HydrophobicContact CD1-CE2 3.97Å; L428-Y436 HydrophobicContact CD1-CG 3.71Å
429T87Confident91.4Very high126 Ų12659.4 Ų59.477%0.77330%0.297SS*.  trans-108.4127.1174.857.70000110
430G88.6Confident91.5Very high45 Ų4556.4 Ų56.446%0.46428%0.284SS..SBendtrans133-179.7174.200000113.6E432 Q433G430-E432 VanDerWaalsContact C-N 3.27Å; G430-E432 PolarHBondContact O-N 2.96Å; G430-Q433 VanDerWaalsContact O-CB 3.25Å; G430-Q433 WeakPolarHBondContact O-CB 3.43Å; G430-Q433 PolarHBondContact O-N 2.67Å
431V88.6Confident91.5Very high94 Ų9456.2 Ų56.257%0.5729%0.287SS*.THydrogen-bonded Turntrans-68.6-25.5-179.3-69.50000113.1M116 V120 Q433 W434 P435M116-V431 HydrophobicContact SD-CB 4.48Å; V120-V431 HydrophobicContact CG1-CG2 3.99Å; V431-Q433 PolarHBondContact O-N 2.79Å; V431-W434 PolarHBondContact O-N 3.27Å; V431-P435 VanDerWaalsContact O-CD 3.3Å; V431-P435 WeakPolarHBondContact O-CD 3.25Å
432E88.6Confident91.5Very high64 Ų6456.1 Ų56.130%0.29929%0.287SS..THydrogen-bonded Turntrans-69.1-15177.563.9-171.5176.500113.9V120 A124 G430 W434 P435 Y436V120-E432 HydrophobicContact CG1-CB 4.39Å; A124-E432 HydrophobicContact CB-CB 4.13Å; G430-E432 VanDerWaalsContact C-N 3.27Å; G430-E432 PolarHBondContact O-N 2.96Å; E432-W434 VanDerWaalsContact C-N 3.26Å; E432-W434 PolarHBondContact O-N 3.25Å; E432-P435 WeakPolarHBondContact O-CD 3.04Å; E432-Y436 VanDerWaalsContact O-CB 3.27Å; E432-Y436 WeakPolarHBondContact O-CB 3.35Å; E432-Y436 PolarHBondContact O-N 3.21Å; E432-Y436 VanDerWaalsContact O-N 3.1Å
433Q93.4Very high91.6Very high49 Ų4954.7 Ų54.723%0.22928%0.278CS..Hα-helixtrans-57.5-39175.1-174-177.332.700112.1S425 L428 G430 V431 R437S425-Q433 VanDerWaalsContact O-CG 3.32Å; S425-Q433 WeakPolarHBondContact O-CG 3.37Å; S425-Q433 PolarHBondContact O-NE2 3.44Å; L428-Q433 PolarHBondContact O-NE2 3.39Å; G430-Q433 VanDerWaalsContact O-CB 3.25Å; G430-Q433 WeakPolarHBondContact O-CB 3.43Å; G430-Q433 PolarHBondContact O-N 2.67Å; V431-Q433 PolarHBondContact O-N 2.79Å; Q433-R437 VanDerWaalsContact O-CB 3.31Å; Q433-R437 WeakPolarHBondContact O-CB 3.31Å; Q433-R437 PolarHBondContact O-N 3.36Å
434W92.2Very high91.8Very high143 Ų14351.6 Ų51.654%0.54226%0.263SS..Hα-helixtrans-71.4-51-175.6-52.699.4000112.5F111 V431 E432 Y436 R437 A438F111-W434 HydrophobicContact CE1-CB 3.68Å; F111-W434 HydrophobicContact CZ-CB 4.09Å; F111-W434 WeakPolarHBondContact CZ-O 3.26Å; V431-W434 PolarHBondContact O-N 3.27Å; E432-W434 VanDerWaalsContact C-N 3.26Å; E432-W434 PolarHBondContact O-N 3.25Å; W434-Y436 VanDerWaalsContact C-N 3.3Å; W434-Y436 PolarHBondContact O-N 3.37Å; W434-R437 PolarHBondContact O-N 3.07Å; W434-A438 WeakPolarHBondContact O-CB 3.29Å; W434-A438 PolarHBondContact O-N 3.12Å
435P93.8Very high91.9Very high0 Ų048.9 Ų48.90%025%0.254CS..Hα-helixtrans-60-38.1173.1-25.236.3000113.3F111 M116 I121 A124 Y125 V431 E432 A438 V439F111-P435 HydrophobicContact CD2-CB 4.32Å; F111-P435 HydrophobicContact CD2-CG 4.17Å; F111-P435 HydrophobicContact CE2-CB 4.25Å; F111-P435 HydrophobicContact CE2-CG 4.33Å; F111-P435 HydrophobicContact CG-CG 4.35Å; M116-P435 HydrophobicContact CE-CG 3.74Å; I121-P435 HydrophobicContact CG1-CG 4.18Å; I121-P435 HydrophobicContact CG2-CB 4.25Å; A124-P435 HydrophobicContact CB-CB 3.78Å; Y125-P435 HydrophobicContact CD1-CB 4.4Å; Y125-P435 HydrophobicContact CE1-CB 4.07Å; Y125-P435 WeakPolarHBondContact CE1-O 3.49Å; V431-P435 VanDerWaalsContact O-CD 3.3Å; V431-P435 WeakPolarHBondContact O-CD 3.25Å; E432-P435 WeakPolarHBondContact O-CD 3.04Å; P435-A438 VanDerWaalsContact O-CB 3.32Å; P435-A438 WeakPolarHBondContact O-CB 3.5Å; P435-A438 PolarHBondContact O-N 3.35Å; P435-V439 PolarHBondContact O-N 3.08Å
436Y94.6Very high92Very high0 Ų049.4 Ų49.40%026%0.256CS..Hα-helixtrans-61.5-47.2176.4-179.3-81.8000111.5Q127 A128 D131 L421 R424 L428 E432 W434 A438 V439Q127-Y436 HydrophobicContact CG-CE2 4.34Å; A128-Y436 HydrophobicContact CB-CD2 3.74Å; A128-Y436 HydrophobicContact CB-CE2 3.82Å; A128-Y436 HydrophobicContact CB-CG 4.48Å; D131-Y436 VanDerWaalsContact OD2-CE2 3.29Å; D131-Y436 WeakPolarHBondContact OD2-CE2 3.41Å; D131-Y436 VanDerWaalsContact OD2-CZ 3.3Å; D131-Y436 PolarHBondContact OD2-OH 3.48Å; L421-Y436 HydrophobicContact CB-CE1 4.23Å; L421-Y436 HydrophobicContact CD2-CE1 4.21Å; L421-Y436 HydrophobicContact CD2-CE2 4.36Å; L421-Y436 VanDerWaalsContact CD2-OH 3.23Å; L421-Y436 WeakPolarHBondContact CD2-OH 3.21Å; L421-Y436 VanDerWaalsContact O-CE1 3.31Å; L421-Y436 WeakPolarHBondContact O-CE1 3.5Å; R424-Y436 HydrophobicContact CB-CE1 4.29Å; R424-Y436 VanDerWaalsContact CB-OH 3.32Å; R424-Y436 WeakPolarHBondContact CB-OH 3.34Å; L428-Y436 HydrophobicContact CD1-CD1 3.8Å; L428-Y436 HydrophobicContact CD1-CD2 3.8Å; L428-Y436 HydrophobicContact CD1-CE1 3.97Å; L428-Y436 HydrophobicContact CD1-CE2 3.97Å; L428-Y436 HydrophobicContact CD1-CG 3.71Å; E432-Y436 VanDerWaalsContact O-CB 3.27Å; E432-Y436 WeakPolarHBondContact O-CB 3.35Å; E432-Y436 PolarHBondContact O-N 3.21Å; E432-Y436 VanDerWaalsContact O-N 3.1Å; W434-Y436 VanDerWaalsContact C-N 3.3Å; W434-Y436 PolarHBondContact O-N 3.37Å; Y436-A438 VanDerWaalsContact C-N 3.27Å; Y436-A438 PolarHBondContact O-N 3.05Å; Y436-V439 WeakPolarHBondContact O-CB 3.48Å; Y436-V439 PolarHBondContact O-N 3.41Å
437R93.8Very high92.2Very high91 Ų9140.6 Ų40.634%0.34322%0.223SC..Hα-helixtrans-65.6-30.9176.7-174.9172.5179.9176.1-1.8112.7Q433 W434 V439 A440 Q441Q433-R437 VanDerWaalsContact O-CB 3.31Å; Q433-R437 WeakPolarHBondContact O-CB 3.31Å; Q433-R437 PolarHBondContact O-N 3.36Å; W434-R437 PolarHBondContact O-N 3.07Å; R437-V439 VanDerWaalsContact C-N 3.35Å; R437-A440 WeakPolarHBondContact O-CB 3.48Å; R437-A440 PolarHBondContact O-N 3.18Å; R437-Q441 PolarHBondContact O-N 3.47Å
438A93.9Very high92.4Very high3 Ų340.6 Ų40.63%0.02521%0.205CC..Hα-helixtrans-63.6-38.217500000112.7V107 F111 W434 P435 Y436 A440 Q441 A442V107-A438 HydrophobicContact CB-CB 4.45Å; V107-A438 HydrophobicContact CG1-CB 3.3Å; F111-A438 HydrophobicContact CE2-CB 3.41Å; F111-A438 VanDerWaalsContact CE2-CB 3.41Å; F111-A438 HydrophobicContact CZ-CB 3.64Å; W434-A438 WeakPolarHBondContact O-CB 3.29Å; W434-A438 PolarHBondContact O-N 3.12Å; P435-A438 VanDerWaalsContact O-CB 3.32Å; P435-A438 WeakPolarHBondContact O-CB 3.5Å; P435-A438 PolarHBondContact O-N 3.35Å; Y436-A438 VanDerWaalsContact C-N 3.27Å; Y436-A438 PolarHBondContact O-N 3.05Å; A438-A440 VanDerWaalsContact C-N 3.27Å; A438-A440 PolarHBondContact O-N 2.95Å; A438-Q441 PolarHBondContact O-N 2.77Å; A438-Q441 VanDerWaalsContact O-N 3.13Å; A438-A442 PolarHBondContact O-N 3.3Å
439V94.2Very high92.6Very high0 Ų039 Ų390%020%0.197CC..Hα-helixtrans-58.8-42.6173.8176.50000110.6M104 Y125 A128 M132 L421 P435 Y436 R437 Q441 A442 L443M104-V439 HydrophobicContact CE-CG1 4.26Å; Y125-V439 HydrophobicContact CD1-CG2 3.45Å; Y125-V439 VanDerWaalsContact CD1-CG2 3.45Å; Y125-V439 HydrophobicContact CD2-CG2 4.27Å; Y125-V439 HydrophobicContact CE1-CG2 3.4Å; Y125-V439 HydrophobicContact CE2-CG2 4.24Å; Y125-V439 HydrophobicContact CG-CG2 3.89Å; A128-V439 HydrophobicContact CB-CB 4.19Å; A128-V439 HydrophobicContact CB-CG1 4.08Å; A128-V439 HydrophobicContact CB-CG2 4.26Å; M132-V439 HydrophobicContact CE-CG1 3.79Å; M132-V439 HydrophobicContact SD-CG1 4.12Å; L421-V439 HydrophobicContact CD1-CG1 4.36Å; P435-V439 PolarHBondContact O-N 3.08Å; Y436-V439 WeakPolarHBondContact O-CB 3.48Å; Y436-V439 PolarHBondContact O-N 3.41Å; R437-V439 VanDerWaalsContact C-N 3.35Å; V439-Q441 VanDerWaalsContact C-N 3.28Å; V439-Q441 PolarHBondContact O-N 3.39Å; V439-A442 WeakPolarHBondContact O-CB 3.23Å; V439-A442 PolarHBondContact O-N 3.44Å; V439-A442 VanDerWaalsContact O-N 3.14Å; V439-L443 PolarHBondContact O-N 2.91Å; V439-L443 VanDerWaalsContact O-N 3.17Å
440A93.1Very high92.8Very high0 Ų033.7 Ų33.70%016%0.164CC..Hα-helixtrans-58.8-40.2176.500000112.3S418 L421 R437 A438S418-A440 VanDerWaalsContact CB-O 3.25Å; S418-A440 WeakPolarHBondContact CB-O 3.43Å; S418-A440 PolarHBondContact OG-O 3.19Å; L421-A440 HydrophobicContact CB-CB 3.65Å; L421-A440 HydrophobicContact CD1-CB 4.18Å; R437-A440 WeakPolarHBondContact O-CB 3.48Å; R437-A440 PolarHBondContact O-N 3.18Å; A438-A440 VanDerWaalsContact C-N 3.27Å; A438-A440 PolarHBondContact O-N 2.95Å
441Q91.2Very high93Very high93 Ų9331.6 Ų31.644%0.43514%0.142SC..Hα-helixtrans-72.1-34.1176.9-66.6179.2-10.200112.6R437 A438 V439 L443 E444R437-Q441 PolarHBondContact O-N 3.47Å; A438-Q441 PolarHBondContact O-N 2.77Å; A438-Q441 VanDerWaalsContact O-N 3.13Å; V439-Q441 VanDerWaalsContact C-N 3.28Å; V439-Q441 PolarHBondContact O-N 3.39Å; Q441-L443 VanDerWaalsContact C-N 3.32Å; Q441-L443 PolarHBondContact O-N 2.96Å; Q441-E444 WeakPolarHBondContact O-CB 3.46Å; Q441-E444 PolarHBondContact O-N 3.42Å
442A94.7Very high93.1Very high0 Ų032.2 Ų32.20%014%0.138CC..Hα-helixtrans-64.4-35.2178.300000112.1E103 M104 V107 A438 V439 E444 V445E103-A442 HydrophobicContact CB-CB 4.45Å; E103-A442 HydrophobicContact CG-CB 3.93Å; M104-A442 HydrophobicContact CG-CB 4.04Å; V107-A442 HydrophobicContact CG2-CB 4.26Å; A438-A442 PolarHBondContact O-N 3.3Å; V439-A442 WeakPolarHBondContact O-CB 3.23Å; V439-A442 PolarHBondContact O-N 3.44Å; V439-A442 VanDerWaalsContact O-N 3.14Å; A442-E444 PolarHBondContact O-N 3.37Å; A442-E444 VanDerWaalsContact O-N 3.17Å; A442-V445 WeakPolarHBondContact O-CB 3.32Å; A442-V445 WeakPolarHBondContact O-CG1 3.27Å; A442-V445 PolarHBondContact O-N 3.39Å; A442-V445 VanDerWaalsContact O-N 3.09Å
443L94.3Very high93.1Very high0 Ų030.6 Ų30.60%013%0.132CC..Hα-helixtrans-58.1-30177.2-69.7173.5000113.2L100 M104 M132 E414 V417 L421 V439 Q441 V445 I446 Y505L100-L443 HydrophobicContact CD2-CD2 4.14Å; M104-L443 HydrophobicContact CE-CD2 4.39Å; M132-L443 HydrophobicContact SD-CD1 3.9Å; M132-L443 HydrophobicContact SD-CD2 4.12Å; M132-L443 HydrophobicContact SD-CG 4.42Å; E414-L443 HydrophobicContact CB-CB 4.44Å; V417-L443 HydrophobicContact CB-CD1 4.06Å; V417-L443 HydrophobicContact CG1-CD1 3.55Å; L421-L443 HydrophobicContact CD1-CD1 3.92Å; V439-L443 PolarHBondContact O-N 2.91Å; V439-L443 VanDerWaalsContact O-N 3.17Å; Q441-L443 VanDerWaalsContact C-N 3.32Å; Q441-L443 PolarHBondContact O-N 2.96Å; L443-V445 PolarHBondContact O-N 3Å; L443-V445 VanDerWaalsContact O-N 3.11Å; L443-I446 PolarHBondContact O-N 3.23Å; L443-Y505 HydrophobicContact CD2-CD1 4.45Å; L443-Y505 HydrophobicContact CD2-CE1 3.97Å
444E93.9Very high92.8Very high12 Ų1229.2 Ų29.26%0.05613%0.128CC..THydrogen-bonded Turntrans-69.7-6.8-179.7-54.9-175.116500113.8M415 Q441 A442 I446 P447 R448 R466M415-E444 HydrophobicContact CE-CG 4.37Å; M415-E444 HydrophobicContact SD-CB 4.34Å; M415-E444 HydrophobicContact SD-CG 3.93Å; Q441-E444 WeakPolarHBondContact O-CB 3.46Å; Q441-E444 PolarHBondContact O-N 3.42Å; A442-E444 PolarHBondContact O-N 3.37Å; A442-E444 VanDerWaalsContact O-N 3.17Å; E444-I446 PolarHBondContact O-N 2.86Å; E444-P447 WeakPolarHBondContact O-CD 3.49Å; E444-P447 WeakPolarHBondContact O-CG 3.18Å; E444-R448 WeakPolarHBondContact O-CB 3.29Å; E444-R448 PolarHBondContact O-N 3.2Å; E444-R466 IonicContact OE1-CZ 4Å; E444-R466 IonicContact OE1-NE 2.58Å; E444-R466 PolarHBondContact OE1-NE 2.95Å; E444-R466 IonicContact OE1-NH2 2.99Å; E444-R466 IonicContact OE2-CZ 2.69Å; E444-R466 VanDerWaalsContact OE2-CZ 3.26Å; E444-R466 IonicContact OE2-NE 2.66Å; E444-R466 PolarHBondContact OE2-NE 3.04Å; E444-R466 IonicContact OE2-NH2 2.65Å; E444-R466 PolarHBondContact OE2-NH2 3.22Å
445V94.4Very high92.5Very high3 Ų325.8 Ų25.82%0.01814%0.137CC..Hα-helixtrans-62.8-30.817674.60000112.1I99 L100 E103 A442 L443 T449I99-V445 HydrophobicContact CG2-CG1 3.89Å; I99-V445 HydrophobicContact CG2-CG2 4.05Å; L100-V445 HydrophobicContact CD2-CG1 3.93Å; E103-V445 HydrophobicContact CB-CB 4.15Å; E103-V445 HydrophobicContact CB-CG1 3.93Å; E103-V445 HydrophobicContact CB-CG2 4.25Å; E103-V445 HydrophobicContact CG-CB 3.82Å; E103-V445 HydrophobicContact CG-CG1 4.09Å; E103-V445 HydrophobicContact CG-CG2 4.07Å; A442-V445 WeakPolarHBondContact O-CB 3.32Å; A442-V445 WeakPolarHBondContact O-CG1 3.27Å; A442-V445 PolarHBondContact O-N 3.39Å; A442-V445 VanDerWaalsContact O-N 3.09Å; L443-V445 PolarHBondContact O-N 3Å; L443-V445 VanDerWaalsContact O-N 3.11Å; V445-T449 WeakPolarHBondContact O-CB 2.96Å; V445-T449 PolarHBondContact O-N 3.29Å; V445-T449 PolarHBondContact O-OG1 3.38Å
446I94.1Very high92.3Very high11 Ų1127.2 Ų27.26%0.05615%0.148CC..Hα-helixtrans-66.3-58.7179.7-64.6-62.6000111L40 I99 L100 E414 L443 E444 R448 T449 L450L40-I446 HydrophobicContact CD2-CD1 3.85Å; L40-I446 HydrophobicContact CD2-CG2 4.35Å; I99-I446 HydrophobicContact CB-CD1 4.49Å; I99-I446 HydrophobicContact CG2-CD1 4.28Å; L100-I446 HydrophobicContact CD1-CG1 4.34Å; L100-I446 HydrophobicContact CD2-CD1 4.31Å; L100-I446 HydrophobicContact CD2-CG1 3.77Å; L100-I446 HydrophobicContact CG-CD1 4.03Å; L100-I446 HydrophobicContact CG-CG1 3.97Å; E414-I446 HydrophobicContact CG-CB 3.97Å; E414-I446 HydrophobicContact CG-CG1 4.19Å; E414-I446 HydrophobicContact CG-CG2 4.18Å; L443-I446 PolarHBondContact O-N 3.23Å; E444-I446 PolarHBondContact O-N 2.86Å; I446-R448 VanDerWaalsContact C-N 3.26Å; I446-R448 PolarHBondContact O-N 3.35Å; I446-T449 PolarHBondContact O-N 3.41Å; I446-L450 PolarHBondContact O-N 2.95Å
447P93.9Very high92.1Very high0 Ų029.6 Ų29.60%017%0.165CC..Hα-helixtrans-61.7-34.9174.920.3-30.1000112M415 E444 T449 L450 I451 L462 L465 V479M415-P447 HydrophobicContact CG-CG 4.1Å; M415-P447 HydrophobicContact SD-CG 3.78Å; E444-P447 WeakPolarHBondContact O-CD 3.49Å; E444-P447 WeakPolarHBondContact O-CG 3.18Å; P447-T449 PolarHBondContact O-N 3.06Å; P447-L450 PolarHBondContact O-N 3.49Å; P447-I451 WeakPolarHBondContact O-CD1 3.45Å; P447-I451 WeakPolarHBondContact O-CG1 3.47Å; P447-I451 PolarHBondContact O-N 3.35Å; P447-L462 HydrophobicContact CB-CD1 4.36Å; P447-L462 HydrophobicContact CG-CD1 4.26Å; P447-L465 HydrophobicContact CB-CD2 4.11Å; P447-V479 HydrophobicContact CB-CG2 4.43Å
448R93.8Very high91.9Very high84 Ų8427.4 Ų27.432%0.31716%0.162SC..Hα-helixtrans-60.5-45.3175.3-174.9-172.7-56.8170.86.7112.3E103 E444 I446 I451 Q452E103-R448 IonicContact OE1-NH1 3.09Å; E444-R448 WeakPolarHBondContact O-CB 3.29Å; E444-R448 PolarHBondContact O-N 3.2Å; I446-R448 VanDerWaalsContact C-N 3.26Å; I446-R448 PolarHBondContact O-N 3.35Å; R448-I451 PolarHBondContact O-N 3.35Å; R448-Q452 WeakPolarHBondContact O-CB 3.39Å; R448-Q452 PolarHBondContact O-N 3.5Å
449T92.8Very high91.8Very high1 Ų133.7 Ų33.71%0.00619%0.194CC..Hα-helixtrans-66.2-41.5178.7-61.80000110.6R37 L40 V445 I446 P447 I451 Q452 N453R37-T449 HydrophobicContact CG-CG2 3.44Å; R37-T449 VanDerWaalsContact CG-CG2 3.44Å; R37-T449 WeakPolarHBondContact O-CG2 3.36Å; L40-T449 HydrophobicContact CB-CG2 4.01Å; L40-T449 HydrophobicContact CD2-CG2 3.81Å; L40-T449 HydrophobicContact CG-CG2 4.49Å; V445-T449 WeakPolarHBondContact O-CB 2.96Å; V445-T449 PolarHBondContact O-N 3.29Å; V445-T449 PolarHBondContact O-OG1 3.38Å; I446-T449 PolarHBondContact O-N 3.41Å; P447-T449 PolarHBondContact O-N 3.06Å; T449-I451 PolarHBondContact O-N 2.94Å; T449-Q452 WeakPolarHBondContact O-CB 3.14Å; T449-Q452 PolarHBondContact O-N 3.3Å; T449-N453 VanDerWaalsContact O-CG 3.28Å; T449-N453 PolarHBondContact O-N 3.01Å; T449-N453 PolarHBondContact O-ND2 3.48Å
450L91.2Very high91.7Very high15 Ų1542.2 Ų42.28%0.07923%0.226CC..Hα-helixtrans-58.2-50.6175.5-170.363.3000110.8I446 P447 Q452 N453 C454 V479I446-L450 PolarHBondContact O-N 2.95Å; P447-L450 PolarHBondContact O-N 3.49Å; L450-Q452 VanDerWaalsContact C-N 3.3Å; L450-Q452 PolarHBondContact O-N 2.99Å; L450-N453 PolarHBondContact O-N 2.93Å; L450-C454 PolarHBondContact O-N 3.38Å; L450-C454 PolarHBondContact O-SG 2.8Å; L450-V479 HydrophobicContact CD2-CB 4.05Å; L450-V479 HydrophobicContact CD2-CG1 4.4Å; L450-V479 WeakPolarHBondContact CD2-O 3.49Å
451I92.2Very high91.6Very high0 Ų042.9 Ų42.90%023%0.23CC..Hα-helixtrans-59.1-41.4177.6-61.9157.9000111.5P447 R448 T449 C454 G455 A456 T458 V461 L462 V479P447-I451 WeakPolarHBondContact O-CD1 3.45Å; P447-I451 WeakPolarHBondContact O-CG1 3.47Å; P447-I451 PolarHBondContact O-N 3.35Å; R448-I451 PolarHBondContact O-N 3.35Å; T449-I451 PolarHBondContact O-N 2.94Å; I451-C454 WeakPolarHBondContact O-CB 3.49Å; I451-C454 PolarHBondContact O-N 2.98Å; I451-G455 PolarHBondContact O-N 2.89Å; I451-A456 HydrophobicContact CG2-CB 3.85Å; I451-A456 PolarHBondContact O-N 2.65Å; I451-T458 HydrophobicContact CB-CG2 4.34Å; I451-T458 HydrophobicContact CG2-CG2 4.08Å; I451-V461 HydrophobicContact CD1-CB 3.92Å; I451-V461 HydrophobicContact CD1-CG1 3.68Å; I451-V461 HydrophobicContact CG1-CB 4.32Å; I451-V461 HydrophobicContact CG1-CG1 3.9Å; I451-V461 HydrophobicContact CG2-CB 4.11Å; I451-V461 HydrophobicContact CG2-CG1 4.44Å; I451-V461 HydrophobicContact CG2-CG2 4.35Å; I451-L462 HydrophobicContact CD1-CB 4.3Å; I451-L462 HydrophobicContact CD1-CD1 4.38Å; I451-V479 HydrophobicContact CD1-CG2 3.91Å; I451-V479 HydrophobicContact CG1-CB 4.27Å; I451-V479 HydrophobicContact CG1-CG1 3.67Å; I451-V479 HydrophobicContact CG1-CG2 3.73Å
452Q90.8Very high91.6Very high107 Ų10739 Ų3950%0.521%0.212SC..Hα-helixtrans-62.7-44.9178.8-176.5176.50.600111.4R448 T449 L450 C454 G455 T458R448-Q452 WeakPolarHBondContact O-CB 3.39Å; R448-Q452 PolarHBondContact O-N 3.5Å; T449-Q452 WeakPolarHBondContact O-CB 3.14Å; T449-Q452 PolarHBondContact O-N 3.3Å; L450-Q452 VanDerWaalsContact C-N 3.3Å; L450-Q452 PolarHBondContact O-N 2.99Å; Q452-C454 PolarHBondContact O-N 3.4Å; Q452-G455 PolarHBondContact O-N 3.03Å; Q452-T458 HydrophobicContact CB-CG2 3.88Å
453N89.2Confident91.5Very high31 Ų3142.7 Ų42.717%0.16623%0.234CC..Hα-helixtrans-68.8-24.9179.5-66-14.7000111.9R37 L40 T449 L450 G455R37-N453 PolarHBondContact O-ND2 2.82Å; L40-N453 PolarHBondContact O-ND2 2.83Å; T449-N453 VanDerWaalsContact O-CG 3.28Å; T449-N453 PolarHBondContact O-N 3.01Å; T449-N453 PolarHBondContact O-ND2 3.48Å; L450-N453 PolarHBondContact O-N 2.93Å; N453-G455 VanDerWaalsContact C-N 3.28Å; N453-G455 PolarHBondContact O-N 2.69Å
454C86.6Confident91.4Very high20 Ų2045.1 Ų45.114%0.13525%0.252CS..THydrogen-bonded Turntrans-74.3-13.4170.7-56.60000114.2L450 I451 Q452 A456 G481L450-C454 PolarHBondContact O-N 3.38Å; L450-C454 PolarHBondContact O-SG 2.8Å; I451-C454 WeakPolarHBondContact O-CB 3.49Å; I451-C454 PolarHBondContact O-N 2.98Å; Q452-C454 PolarHBondContact O-N 3.4Å; C454-A456 VanDerWaalsContact C-N 3.29Å; C454-G481 VanDerWaalsContact SG-CA 3.5Å; C454-G481 PolarHBondContact SG-O 2.93Å
455G86.1Confident91.3Very high71 Ų7144.6 Ų44.673%0.73225%0.249SC*.THydrogen-bonded Turntrans7710.8-173.800000114.5I451 Q452 N453I451-G455 PolarHBondContact O-N 2.89Å; Q452-G455 PolarHBondContact O-N 3.03Å; N453-G455 VanDerWaalsContact C-N 3.28Å; N453-G455 PolarHBondContact O-N 2.69Å
456A88.8Confident91Very high30 Ų3049.3 Ų49.325%0.24827%0.267CS..SBendtrans-84.7160.8177.900000111.8I451 C454 T458I451-A456 HydrophobicContact CG2-CB 3.85Å; I451-A456 PolarHBondContact O-N 2.65Å; C454-A456 VanDerWaalsContact C-N 3.29Å; A456-T458 PolarHBondContact O-N 2.82Å
457S90.6Very high90.8Very high50 Ų5051.3 Ų51.335%0.3529%0.285SS..  trans-69.3101.9179.759.70000111.1I459 R460 V461S457-I459 VanDerWaalsContact C-N 3.35Å; S457-I459 PolarHBondContact O-N 3.38Å; S457-R460 PolarHBondContact O-N 3.15Å; S457-R460 WeakPolarHBondContact OG-CB 3.45Å; S457-R460 PolarHBondContact OG-NE 3.3Å; S457-V461 WeakPolarHBondContact O-CG2 3.32Å; S457-V461 PolarHBondContact O-N 2.88Å; S457-V461 VanDerWaalsContact O-N 3.16Å
458T90.4Very high90.6Very high44 Ų4454 Ų5427%0.2730%0.297SS..Hα-helixtrans-51.2-48.3-176.952.90000113.2I451 Q452 A456 L462I451-T458 HydrophobicContact CB-CG2 4.34Å; I451-T458 HydrophobicContact CG2-CG2 4.08Å; Q452-T458 HydrophobicContact CB-CG2 3.88Å; A456-T458 PolarHBondContact O-N 2.82Å; T458-L462 WeakPolarHBondContact O-CB 3.02Å; T458-L462 PolarHBondContact O-N 3.49Å
459I90.9Very high90.3Very high136 Ų13650.4 Ų50.470%0.69728%0.284SS*.Hα-helixtrans-61.1-54.8-176.9-59.3172.1000110.8S457 V461 L462 T463S457-I459 VanDerWaalsContact C-N 3.35Å; S457-I459 PolarHBondContact O-N 3.38Å; I459-V461 PolarHBondContact O-N 3.1Å; I459-L462 PolarHBondContact O-N 3.37Å; I459-T463 WeakPolarHBondContact O-CB 3.42Å; I459-T463 PolarHBondContact O-N 3.42Å; I459-T463 PolarHBondContact O-OG1 3.37Å
460R92.2Very high90Very high178 Ų17855.2 Ų55.267%0.67231%0.313SS*.Hα-helixtrans-62.5-44.7-175.1-17417866.8-175.41.7112.2S457 S464S457-R460 PolarHBondContact O-N 3.15Å; S457-R460 WeakPolarHBondContact OG-CB 3.45Å; S457-R460 PolarHBondContact OG-NE 3.3Å; R460-S464 WeakPolarHBondContact O-CB 3.49Å; R460-S464 PolarHBondContact O-N 3.49Å; R460-S464 PolarHBondContact O-OG 3.47Å
461V91.7Very high89.7Confident14 Ų1460.5 Ų60.59%0.08534%0.337CS..Hα-helixtrans-71.3-43.4-176.4179.60000110.4I451 S457 I459 S464 L465 V479 L486I451-V461 HydrophobicContact CD1-CB 3.92Å; I451-V461 HydrophobicContact CD1-CG1 3.68Å; I451-V461 HydrophobicContact CG1-CB 4.32Å; I451-V461 HydrophobicContact CG1-CG1 3.9Å; I451-V461 HydrophobicContact CG2-CB 4.11Å; I451-V461 HydrophobicContact CG2-CG1 4.44Å; I451-V461 HydrophobicContact CG2-CG2 4.35Å; S457-V461 WeakPolarHBondContact O-CG2 3.32Å; S457-V461 PolarHBondContact O-N 2.88Å; S457-V461 VanDerWaalsContact O-N 3.16Å; I459-V461 PolarHBondContact O-N 3.1Å; V461-S464 PolarHBondContact O-N 3.19Å; V461-L465 WeakPolarHBondContact O-CB 3.48Å; V461-L465 PolarHBondContact O-N 3.34Å; V461-V479 HydrophobicContact CG1-CG2 4.39Å; V461-L486 HydrophobicContact CG1-CD2 3.57Å; V461-L486 HydrophobicContact CG1-CG 4.16Å
462L91.9Very high88.6Confident11 Ų1169 Ų696%0.05838%0.377CS..Hα-helixtrans-65-41.5177.8-16676.5000111.9M415 P447 I451 T458 I459 S464 L465 R466M415-L462 HydrophobicContact SD-CD1 4.32Å; P447-L462 HydrophobicContact CB-CD1 4.36Å; P447-L462 HydrophobicContact CG-CD1 4.26Å; I451-L462 HydrophobicContact CD1-CB 4.3Å; I451-L462 HydrophobicContact CD1-CD1 4.38Å; T458-L462 WeakPolarHBondContact O-CB 3.02Å; T458-L462 PolarHBondContact O-N 3.49Å; I459-L462 PolarHBondContact O-N 3.37Å; L462-S464 VanDerWaalsContact C-N 3.32Å; L462-S464 PolarHBondContact O-N 2.98Å; L462-L465 PolarHBondContact O-N 3.28Å; L462-R466 WeakPolarHBondContact O-CG 3.36Å; L462-R466 PolarHBondContact O-N 3.25Å
463T92.4Very high87.5Confident78 Ų7871.4 Ų71.448%0.47939%0.393SS..Hα-helixtrans-61.5-42.5174.5-60.20000111.5I459 L465 R466 A467I459-T463 WeakPolarHBondContact O-CB 3.42Å; I459-T463 PolarHBondContact O-N 3.42Å; I459-T463 PolarHBondContact O-OG1 3.37Å; T463-L465 VanDerWaalsContact C-N 3.34Å; T463-R466 PolarHBondContact O-N 2.98Å; T463-A467 PolarHBondContact O-N 2.98Å
464S91.2Very high87Confident52 Ų5270.7 Ų70.736%0.36439%0.391SS..Hα-helixtrans-65.8-38.2177-57.20000111.7R460 V461 L462 A467 K468R460-S464 WeakPolarHBondContact O-CB 3.49Å; R460-S464 PolarHBondContact O-N 3.49Å; R460-S464 PolarHBondContact O-OG 3.47Å; V461-S464 PolarHBondContact O-N 3.19Å; L462-S464 VanDerWaalsContact C-N 3.32Å; L462-S464 PolarHBondContact O-N 2.98Å; S464-A467 PolarHBondContact O-N 3.4Å; S464-K468 PolarHBondContact O-N 3.15Å
465L91.4Very high86.9Confident0 Ų072.5 Ų72.50%040%0.401CS..Hα-helixtrans-65.3-46.9176.9-176.561.4000111.3M415 P447 V461 L462 T463 A467 K468 H469 W477 V479 L486M415-L465 HydrophobicContact CG-CD2 3.56Å; M415-L465 HydrophobicContact CG-CG 3.92Å; M415-L465 HydrophobicContact SD-CD2 4.09Å; P447-L465 HydrophobicContact CB-CD2 4.11Å; V461-L465 WeakPolarHBondContact O-CB 3.48Å; V461-L465 PolarHBondContact O-N 3.34Å; L462-L465 PolarHBondContact O-N 3.28Å; T463-L465 VanDerWaalsContact C-N 3.34Å; L465-A467 VanDerWaalsContact C-N 3.29Å; L465-A467 PolarHBondContact O-N 3.2Å; L465-K468 PolarHBondContact O-N 3.26Å; L465-H469 PolarHBondContact O-CD2 3.32Å; L465-H469 PolarHBondContact O-N 3.2Å; L465-W477 HydrophobicContact CD1-CB 4.49Å; L465-V479 HydrophobicContact CD2-CG2 3.88Å; L465-L486 HydrophobicContact CB-CD1 4.27Å; L465-L486 HydrophobicContact CB-CD2 3.84Å; L465-L486 HydrophobicContact CD1-CD2 3.91Å; L465-L486 HydrophobicContact CG-CD2 4.3Å
466R89.8Confident87Confident102 Ų10270 Ų7039%0.38537%0.373SS..Hα-helixtrans-56.2-43.3173.4-74.7178.3-174.81653.8112M415 E444 L462 T463 H469 T470M415-R466 HydrophobicContact CE-CB 4.32Å; M415-R466 HydrophobicContact CE-CG 3.42Å; M415-R466 VanDerWaalsContact CE-CG 3.42Å; E444-R466 IonicContact OE1-CZ 4Å; E444-R466 IonicContact OE1-NE 2.58Å; E444-R466 PolarHBondContact OE1-NE 2.95Å; E444-R466 IonicContact OE1-NH2 2.99Å; E444-R466 IonicContact OE2-CZ 2.69Å; E444-R466 VanDerWaalsContact OE2-CZ 3.26Å; E444-R466 IonicContact OE2-NE 2.66Å; E444-R466 PolarHBondContact OE2-NE 3.04Å; E444-R466 IonicContact OE2-NH2 2.65Å; E444-R466 PolarHBondContact OE2-NH2 3.22Å; L462-R466 WeakPolarHBondContact O-CG 3.36Å; L462-R466 PolarHBondContact O-N 3.25Å; T463-R466 PolarHBondContact O-N 2.98Å; R466-H469 PolarHBondContact O-N 3.03Å; R466-T470 PolarHBondContact O-N 3.4Å; R466-T470 VanDerWaalsContact O-N 3.07Å; R466-T470 PolarHBondContact O-OG1 3.1Å
467A90.1Very high87.1Confident54 Ų5472 Ų7245%0.44637%0.374SS..Hα-helixtrans-62.3-42.9178.700000111.8T463 S464 L465 T470T463-A467 PolarHBondContact O-N 2.98Å; S464-A467 PolarHBondContact O-N 3.4Å; L465-A467 VanDerWaalsContact C-N 3.29Å; L465-A467 PolarHBondContact O-N 3.2Å; A467-T470 WeakPolarHBondContact O-CB 3.44Å; A467-T470 PolarHBondContact O-N 3.09Å
468K89.1Confident87.2Confident57 Ų5769.6 Ų69.625%0.24836%0.357CS..Hα-helixtrans-63.5-47.2175.1-73.4-170.2178.8-174.10112.3S464 L465 T470 Q471 S474 W477 L486S464-K468 PolarHBondContact O-N 3.15Å; L465-K468 PolarHBondContact O-N 3.26Å; K468-T470 PolarHBondContact O-N 3.38Å; K468-T470 VanDerWaalsContact O-N 3.15Å; K468-Q471 WeakPolarHBondContact O-CB 3.32Å; K468-Q471 PolarHBondContact O-N 3Å; K468-S474 WeakPolarHBondContact O-CB 3.44Å; K468-W477 HydrophobicContact CD-CD2 3.91Å; K468-W477 HydrophobicContact CD-CE3 3.75Å; K468-W477 HydrophobicContact CD-CG 4.38Å; K468-W477 HydrophobicContact CD-CZ3 4.21Å; K468-W477 VanDerWaalsContact NZ-CE3 3.26Å; K468-L486 HydrophobicContact CD-CD1 4.01Å
469H87.9Confident87.2Confident8 Ų867.6 Ų67.64%0.03734%0.344CS..Hα-helixtrans-62-23.4177.9-87.6-88.6000113.1A412 K419 L465 R466 Q471 W477A412-H469 PolarHBondContact O-CE1 3.47Å; K419-H469 WeakPolarHBondContact CD-O 3.45Å; K419-H469 VanDerWaalsContact CE-O 3.31Å; K419-H469 WeakPolarHBondContact CE-O 3.31Å; K419-H469 PolarHBondContact NZ-O 3.29Å; L465-H469 PolarHBondContact O-CD2 3.32Å; L465-H469 PolarHBondContact O-N 3.2Å; R466-H469 PolarHBondContact O-N 3.03Å; H469-Q471 VanDerWaalsContact C-N 3.31Å; H469-W477 PolarHBondContact NE2-O 3.39Å
470T85.2Confident87.2Confident102 Ų10262.1 Ų62.163%0.62632%0.317SS*.Hα-helixtrans-69.8-28.6174.7-53.40000112.2K419 R466 A467 K468K419-T470 PolarHBondContact NZ-O 2.95Å; R466-T470 PolarHBondContact O-N 3.4Å; R466-T470 VanDerWaalsContact O-N 3.07Å; R466-T470 PolarHBondContact O-OG1 3.1Å; A467-T470 WeakPolarHBondContact O-CB 3.44Å; A467-T470 PolarHBondContact O-N 3.09Å; K468-T470 PolarHBondContact O-N 3.38Å; K468-T470 VanDerWaalsContact O-N 3.15Å
471Q85.2Confident86.8Confident125 Ų12553.9 Ų53.958%0.58429%0.287SS*.SBendtrans-70.8157.9176.9-58.6175.2-3.700111.4K468 H469K468-Q471 WeakPolarHBondContact O-CB 3.32Å; K468-Q471 PolarHBondContact O-N 3Å; H469-Q471 VanDerWaalsContact C-N 3.31Å
472E69.2Low86.5Confident178 Ų17858.3 Ų58.383%0.83231%0.307SS*.THydrogen-bonded Turntrans-67147177.2-68-178.7173.100111.1S474E472-S474 VanDerWaalsContact C-N 3.28Å; E472-S474 PolarHBondContact O-N 3.48Å; E472-S474 VanDerWaalsContact O-N 3.16Å; E472-S474 PolarHBondContact O-OG 2.97Å
473N68Low86.2Confident159 Ų15962 Ų6285%0.8533%0.33SS*.THydrogen-bonded Turntrans58.521.8175.6-61-19.8000117.5
474S78.9Confident85.8Confident15 Ų1558.5 Ų58.511%0.10531%0.309CS..  trans-101.623.6-176.7-62.40000114.8K468 E472 S476 W477K468-S474 WeakPolarHBondContact O-CB 3.44Å; E472-S474 VanDerWaalsContact C-N 3.28Å; E472-S474 PolarHBondContact O-N 3.48Å; E472-S474 VanDerWaalsContact O-N 3.16Å; E472-S474 PolarHBondContact O-OG 2.97Å; S474-S476 VanDerWaalsContact C-N 3.27Å; S474-S476 PolarHBondContact O-N 3.42Å; S474-W477 PolarHBondContact O-N 3.43Å
475V83.7Confident85.7Confident59 Ų5959.6 Ų59.636%0.35832%0.316SS..THydrogen-bonded Turntrans-65.3-28.5-172.8-177.60000112.9V139 A416 W477V139-V475 HydrophobicContact CB-CG1 4.33Å; V139-V475 HydrophobicContact CG1-CG1 3.39Å; V139-V475 HydrophobicContact CG2-CG1 3.94Å; A416-V475 HydrophobicContact CB-CG1 3.72Å; V475-W477 VanDerWaalsContact C-N 3.34Å
476S87.9Confident85.6Confident19 Ų1961.2 Ų61.213%0.13332%0.324CS..THydrogen-bonded Turntrans-83.2-4.4-178.759.10000114.6S474 G478 D488 M489 S490S474-S476 VanDerWaalsContact C-N 3.27Å; S474-S476 PolarHBondContact O-N 3.42Å; S476-G478 PolarHBondContact O-N 3.39Å; S476-D488 WeakPolarHBondContact CB-OD1 3.49Å; S476-D488 VanDerWaalsContact OG-CG 3.26Å; S476-D488 PolarHBondContact OG-OD1 3.4Å; S476-D488 PolarHBondContact OG-OD2 2.85Å; S476-M489 VanDerWaalsContact O-CB 3.31Å; S476-M489 WeakPolarHBondContact O-CB 3.44Å; S476-M489 WeakPolarHBondContact O-CG 3.38Å; S476-M489 PolarHBondContact O-N 2.72Å; S476-S490 WeakPolarHBondContact CB-OG 3.5Å
477W91.8Very high85.6Confident71 Ų7157.4 Ų57.427%0.26931%0.313SS..EExtended strand (participates in β ladder)trans-73.9123.8-179.9-77.779.9000111.2A412 L465 K468 H469 S474 V475 L486 S487A412-W477 WeakPolarHBondContact CA-O 3.43Å; A412-W477 VanDerWaalsContact CB-O 3.22Å; A412-W477 WeakPolarHBondContact CB-O 3.32Å; L465-W477 HydrophobicContact CD1-CB 4.49Å; K468-W477 HydrophobicContact CD-CD2 3.91Å; K468-W477 HydrophobicContact CD-CE3 3.75Å; K468-W477 HydrophobicContact CD-CG 4.38Å; K468-W477 HydrophobicContact CD-CZ3 4.21Å; K468-W477 VanDerWaalsContact NZ-CE3 3.26Å; H469-W477 PolarHBondContact NE2-O 3.39Å; S474-W477 PolarHBondContact O-N 3.43Å; V475-W477 VanDerWaalsContact C-N 3.34Å; W477-L486 HydrophobicContact CE3-CB 4.28Å; W477-L486 HydrophobicContact CZ3-CB 4.44Å; W477-S487 WeakPolarHBondContact CA-O 3.3Å
478G92.3Very high85.7Confident0 Ų056.9 Ų56.90%030%0.303CS..EExtended strand (participates in β ladder)trans-128.7-164.5176.600000111.8S476 L486 S487S476-G478 PolarHBondContact O-N 3.39Å; G478-L486 WeakPolarHBondContact O-CA 3.48Å; G478-S487 PolarHBondContact N-O 3.29Å; G478-S487 PolarHBondContact O-N 2.93Å
479V91.4Very high85.7Confident1 Ų154.1 Ų54.11%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-105.5126.6170.8-178.80000108.1G410 P447 L450 I451 V461 L465 G481 L486G410-V479 PolarHBondContact O-N 2.96Å; P447-V479 HydrophobicContact CB-CG2 4.43Å; L450-V479 HydrophobicContact CD2-CB 4.05Å; L450-V479 HydrophobicContact CD2-CG1 4.4Å; L450-V479 WeakPolarHBondContact CD2-O 3.49Å; I451-V479 HydrophobicContact CD1-CG2 3.91Å; I451-V479 HydrophobicContact CG1-CB 4.27Å; I451-V479 HydrophobicContact CG1-CG1 3.67Å; I451-V479 HydrophobicContact CG1-CG2 3.73Å; V461-V479 HydrophobicContact CG1-CG2 4.39Å; L465-V479 HydrophobicContact CD2-CG2 3.88Å; V479-G481 PolarHBondContact O-N 3.41Å; V479-L486 HydrophobicContact CG2-CD2 4.06Å
480D89.9Confident85.6Confident22 Ų2256.1 Ų56.112%0.11831%0.306CS..  trans-73.4120167.6173.311.6000109.7E482 T483 G484 C485 S487 L492D480-E482 PolarHBondContact O-N 2.86Å; D480-E482 PolarHBondContact OD1-N 3.43Å; D480-T483 WeakPolarHBondContact CB-OG1 3.25Å; D480-T483 VanDerWaalsContact CG-OG1 3.3Å; D480-T483 WeakPolarHBondContact OD2-CB 3.37Å; D480-T483 VanDerWaalsContact OD2-CG2 3.27Å; D480-T483 WeakPolarHBondContact OD2-CG2 2.91Å; D480-T483 PolarHBondContact OD2-N 3.34Å; D480-T483 PolarHBondContact OD2-OG1 3.28Å; D480-G484 VanDerWaalsContact O-CA 3.29Å; D480-G484 WeakPolarHBondContact O-CA 3.36Å; D480-G484 PolarHBondContact O-N 3.26Å; D480-C485 PolarHBondContact N-O 3.29Å; D480-S487 WeakPolarHBondContact CB-OG 3.35Å; D480-L492 HydrophobicContact CB-CD1 4.21Å
481G84.4Confident85.7Confident4 Ų457 Ų574%0.04131%0.311CS..THydrogen-bonded Turntrans-70.1-12.1-178.400000114.8C454 V479C454-G481 VanDerWaalsContact SG-CA 3.5Å; C454-G481 PolarHBondContact SG-O 2.93Å; V479-G481 PolarHBondContact O-N 3.41Å
482E84.6Confident85.7Confident108 Ų10855 Ų5551%0.50530%0.304SS..THydrogen-bonded Turntrans-93.5-50.3176.4-65.7-173.9-178.800112.2R43 D480R43-E482 PolarHBondContact NE-O 3.12Å; R43-E482 PolarHBondContact NH1-O 3.48Å; R43-E482 VanDerWaalsContact NH1-O 3.17Å; R43-E482 PolarHBondContact NH2-O 3.17Å; D480-E482 PolarHBondContact O-N 2.86Å; D480-E482 PolarHBondContact OD1-N 3.43Å
483T85.4Confident86.4Confident88 Ų8847.9 Ų47.954%0.5428%0.278SS..THydrogen-bonded Turntrans-86.9-22.6-176.961.80000113.2D480 C485D480-T483 WeakPolarHBondContact CB-OG1 3.25Å; D480-T483 VanDerWaalsContact CG-OG1 3.3Å; D480-T483 WeakPolarHBondContact OD2-CB 3.37Å; D480-T483 VanDerWaalsContact OD2-CG2 3.27Å; D480-T483 WeakPolarHBondContact OD2-CG2 2.91Å; D480-T483 PolarHBondContact OD2-N 3.34Å; D480-T483 PolarHBondContact OD2-OG1 3.28Å; T483-C485 PolarHBondContact O-N 3.12Å; T483-C485 PolarHBondContact OG1-N 3.18Å
484G84.3Confident87.3Confident4 Ų442.7 Ų42.74%0.04125%0.249CC..  trans70.913.5-171.800000113.6D480D480-G484 VanDerWaalsContact O-CA 3.29Å; D480-G484 WeakPolarHBondContact O-CA 3.36Å; D480-G484 PolarHBondContact O-N 3.26Å
485C88.7Confident87.7Confident75 Ų7544.1 Ų44.151%0.50725%0.252SS..SBendtrans-96.7163178.6-70.80000111.7D480 T483D480-C485 PolarHBondContact N-O 3.29Å; T483-C485 PolarHBondContact O-N 3.12Å; T483-C485 PolarHBondContact OG1-N 3.18Å
486L90.6Very high88Confident35 Ų3543.6 Ų43.618%0.18325%0.246CC..EExtended strand (participates in β ladder)trans-82.7128.3173.4-58.2-177.2000110V461 L465 K468 W477 G478 V479V461-L486 HydrophobicContact CG1-CD2 3.57Å; V461-L486 HydrophobicContact CG1-CG 4.16Å; L465-L486 HydrophobicContact CB-CD1 4.27Å; L465-L486 HydrophobicContact CB-CD2 3.84Å; L465-L486 HydrophobicContact CD1-CD2 3.91Å; L465-L486 HydrophobicContact CG-CD2 4.3Å; K468-L486 HydrophobicContact CD-CD1 4.01Å; W477-L486 HydrophobicContact CE3-CB 4.28Å; W477-L486 HydrophobicContact CZ3-CB 4.44Å; G478-L486 WeakPolarHBondContact O-CA 3.48Å; V479-L486 HydrophobicContact CG2-CD2 4.06Å
487S89.7Confident88.2Confident22 Ų2243 Ų4315%0.15424%0.242CC..EExtended strand (participates in β ladder)trans-144.4159.4-177.649.70000110.8W477 G478 D480 M489 L492W477-S487 WeakPolarHBondContact CA-O 3.3Å; G478-S487 PolarHBondContact N-O 3.29Å; G478-S487 PolarHBondContact O-N 2.93Å; D480-S487 WeakPolarHBondContact CB-OG 3.35Å; S487-M489 WeakPolarHBondContact O-CE 3.48Å; S487-M489 WeakPolarHBondContact OG-CE 3.47Å; S487-L492 WeakPolarHBondContact OG-CD1 3.46Å
488D90.9Very high88.2Confident42 Ų4240.6 Ų40.623%0.22523%0.234CC..EExtended strand (participates in β ladder)trans-81.2117172.9-170.8-18.9000109.4S476 S490 V491 L492S476-D488 WeakPolarHBondContact CB-OD1 3.49Å; S476-D488 VanDerWaalsContact OG-CG 3.26Å; S476-D488 PolarHBondContact OG-OD1 3.4Å; S476-D488 PolarHBondContact OG-OD2 2.85Å; D488-S490 VanDerWaalsContact C-N 3.25Å; D488-S490 PolarHBondContact O-N 2.91Å; D488-S490 WeakPolarHBondContact OD1-CB 3.24Å; D488-S490 PolarHBondContact OD1-N 3.49Å; D488-V491 HydrophobicContact CB-CB 4.2Å; D488-V491 HydrophobicContact CB-CG2 3.93Å; D488-V491 PolarHBondContact O-N 3.3Å; D488-L492 PolarHBondContact O-N 3.44Å
489M89.9Confident88.2Confident0 Ų041.5 Ų41.50%024%0.241CC..Hα-helixtrans-68-28.2-176.6-62.7-67.7117.900112P408 G409 A412 S476 S487 V491 L492 G493 I494P408-M489 HydrophobicContact CB-CB 3.86Å; G409-M489 WeakPolarHBondContact O-CG 3.22Å; A412-M489 HydrophobicContact CB-CG 4.2Å; S476-M489 VanDerWaalsContact O-CB 3.31Å; S476-M489 WeakPolarHBondContact O-CB 3.44Å; S476-M489 WeakPolarHBondContact O-CG 3.38Å; S476-M489 PolarHBondContact O-N 2.72Å; S487-M489 WeakPolarHBondContact O-CE 3.48Å; S487-M489 WeakPolarHBondContact OG-CE 3.47Å; M489-V491 VanDerWaalsContact C-N 3.32Å; M489-L492 HydrophobicContact CE-CD1 3.96Å; M489-L492 PolarHBondContact O-N 3.24Å; M489-G493 PolarHBondContact O-N 3.28Å; M489-I494 PolarHBondContact O-N 2.99Å; M489-I494 HydrophobicContact SD-CB 4.09Å; M489-I494 HydrophobicContact SD-CD1 4.07Å; M489-I494 HydrophobicContact SD-CG2 4.37Å
490S86.2Confident88.2Confident49 Ų4941.7 Ų41.734%0.34324%0.243SC..Hα-helixtrans-68.6-34.8176.2-60.70000111.6S476 D488 W495S476-S490 WeakPolarHBondContact CB-OG 3.5Å; D488-S490 VanDerWaalsContact C-N 3.25Å; D488-S490 PolarHBondContact O-N 2.91Å; D488-S490 WeakPolarHBondContact OD1-CB 3.24Å; D488-S490 PolarHBondContact OD1-N 3.49Å; S490-W495 WeakPolarHBondContact OG-CH2 3.43Å; S490-W495 WeakPolarHBondContact OG-CZ2 3.3Å
491V87Confident88.3Confident121 Ų12141 Ų4173%0.73324%0.238SC*.Hα-helixtrans-75.8-40.5176.2179.10000111.3D488 M489 G493D488-V491 HydrophobicContact CB-CB 4.2Å; D488-V491 HydrophobicContact CB-CG2 3.93Å; D488-V491 PolarHBondContact O-N 3.3Å; M489-V491 VanDerWaalsContact C-N 3.32Å; V491-G493 PolarHBondContact O-N 3.3Å
492L84.6Confident88.8Confident84 Ų8441.6 Ų41.644%0.4424%0.244SC..Hα-helixtrans-70.2-15.6174.5-72.3178.6000113.2D480 S487 D488 M489 I494D480-L492 HydrophobicContact CB-CD1 4.21Å; S487-L492 WeakPolarHBondContact OG-CD1 3.46Å; D488-L492 PolarHBondContact O-N 3.44Å; M489-L492 HydrophobicContact CE-CD1 3.96Å; M489-L492 PolarHBondContact O-N 3.24Å; L492-I494 VanDerWaalsContact C-N 3.33Å; L492-I494 HydrophobicContact CB-CD1 4.16Å; L492-I494 HydrophobicContact CB-CG1 4.1Å; L492-I494 HydrophobicContact CD1-CD1 4.26Å
493G83.4Confident89.3Confident27 Ų2739 Ų3928%0.27823%0.231SC..THydrogen-bonded Turntrans73.623.3-178.900000113.7M489 V491 W495M489-G493 PolarHBondContact O-N 3.28Å; V491-G493 PolarHBondContact O-N 3.3Å; G493-W495 VanDerWaalsContact C-CD1 3.46Å; G493-W495 VanDerWaalsContact O-CD1 3.32Å; G493-W495 PolarHBondContact O-N 2.99Å
494I87.9Confident89.7Confident50 Ų5035 Ų3526%0.25621%0.206SC..  trans-90.7102.8178.1-58.7174.7000108.2G409 M489 L492G409-I494 PolarHBondContact N-O 3.42Å; M489-I494 PolarHBondContact O-N 2.99Å; M489-I494 HydrophobicContact SD-CB 4.09Å; M489-I494 HydrophobicContact SD-CD1 4.07Å; M489-I494 HydrophobicContact SD-CG2 4.37Å; L492-I494 VanDerWaalsContact C-N 3.33Å; L492-I494 HydrophobicContact CB-CD1 4.16Å; L492-I494 HydrophobicContact CB-CG1 4.1Å; L492-I494 HydrophobicContact CD1-CD1 4.26Å
495W88.2Confident90.2Very high45 Ų4534.8 Ų34.817%0.1721%0.205CC..EExtended strand (participates in β ladder)trans-120.4146.8-178.2-60.895.9000111T141 S157 L406 L407 S490 G493T141-W495 HydrophobicContact CG2-CZ3 4.38Å; T141-W495 WeakPolarHBondContact OG1-CZ3 3.4Å; S157-W495 PolarHBondContact OG-N 3.4Å; S157-W495 PolarHBondContact OG-O 2.91Å; L406-W495 HydrophobicContact CB-CB 4.39Å; L406-W495 HydrophobicContact CB-CD2 4.49Å; L406-W495 HydrophobicContact CB-CE3 3.95Å; L406-W495 HydrophobicContact CD1-CB 3.82Å; L406-W495 HydrophobicContact CD1-CD2 4.36Å; L406-W495 HydrophobicContact CD1-CG 4.03Å; L407-W495 WeakPolarHBondContact O-CA 3.44Å; S490-W495 WeakPolarHBondContact OG-CH2 3.43Å; S490-W495 WeakPolarHBondContact OG-CZ2 3.3Å; G493-W495 VanDerWaalsContact C-CD1 3.46Å; G493-W495 VanDerWaalsContact O-CD1 3.32Å; G493-W495 PolarHBondContact O-N 2.99Å
496E88.6Confident90.6Very high48 Ų4835 Ų3522%0.22420%0.197CC..EExtended strand (participates in β ladder)trans-123.9141.5174.2-71.1175127.100109.6L407 G409 K501L407-E496 PolarHBondContact N-O 3.48Å; L407-E496 PolarHBondContact O-N 3.41Å; G409-E496 VanDerWaalsContact CA-OE2 3.3Å; G409-E496 WeakPolarHBondContact CA-OE2 3.43Å; E496-K501 VanDerWaalsContact CD-NZ 3.31Å; E496-K501 IonicContact OE1-NZ 2.76Å; E496-K501 PolarHBondContact OE1-NZ 3.48Å; E496-K501 WeakPolarHBondContact OE2-CE 3.46Å; E496-K501 IonicContact OE2-NZ 3.59Å; E496-K501 PolarHBondContact OE2-NZ 3.22Å
497P91.5Very high90.8Very high6 Ų633.8 Ų33.84%0.03919%0.191CC..EExtended strand (participates in β ladder)trans-66.4140.7177-19.531.5000112.6V396 N399 V400 A499 V500 K501V396-P497 HydrophobicContact CG1-CG 3.89Å; N399-P497 HydrophobicContact CB-CB 4.3Å; V400-P497 HydrophobicContact CG2-CB 4.14Å; V400-P497 HydrophobicContact CG2-CG 3.88Å; P497-A499 VanDerWaalsContact C-N 3.28Å; P497-A499 PolarHBondContact O-N 3.41Å; P497-V500 HydrophobicContact CB-CG2 4.09Å; P497-V500 HydrophobicContact CG-CG2 4.12Å; P497-V500 PolarHBondContact O-N 3.16Å; P497-K501 PolarHBondContact O-N 3.39Å
498L92.6Very high91.1Very high21 Ų2132.8 Ų32.811%0.1118%0.184CC..Hα-helixtrans-56.9-41.8175.717563.8000112L136 F405 L407 V500 K501 A502L136-L498 HydrophobicContact CB-CD1 3.78Å; F405-L498 HydrophobicContact CB-CB 3.77Å; F405-L498 HydrophobicContact CB-CD2 3.64Å; F405-L498 HydrophobicContact CB-CG 4.35Å; F405-L498 HydrophobicContact CD2-CD2 4.39Å; F405-L498 HydrophobicContact CG-CD2 4.1Å; F405-L498 WeakPolarHBondContact O-CB 3.37Å; F405-L498 PolarHBondContact O-N 2.92Å; L407-L498 HydrophobicContact CD1-CB 4.4Å; L407-L498 HydrophobicContact CD1-CD1 3.67Å; L407-L498 HydrophobicContact CG-CD1 4.32Å; L498-V500 VanDerWaalsContact C-N 3.3Å; L498-V500 PolarHBondContact O-N 3.35Å; L498-K501 PolarHBondContact O-N 3.29Å; L498-A502 WeakPolarHBondContact O-CB 3.32Å; L498-A502 PolarHBondContact O-N 2.92Å
499A91.6Very high91.3Very high19 Ų1930.8 Ų30.816%0.15717%0.173CC..Hα-helixtrans-58-41.5-179.300000112.3N399 P497 Q503N399-A499 HydrophobicContact CB-CB 4.3Å; P497-A499 VanDerWaalsContact C-N 3.28Å; P497-A499 PolarHBondContact O-N 3.41Å; A499-Q503 VanDerWaalsContact O-CB 3.29Å; A499-Q503 WeakPolarHBondContact O-CB 3.46Å; A499-Q503 PolarHBondContact O-N 2.99Å
500V92.1Very high91.5Very high5 Ų536.2 Ų36.23%0.0320%0.199CC..Hα-helixtrans-63.2-51.8177.5178.30000109.6V90 D92 N399 P497 L498 A502 Q503 T504V90-V500 HydrophobicContact CB-CG2 4.23Å; D92-V500 HydrophobicContact CB-CG1 4.31Å; N399-V500 WeakPolarHBondContact ND2-CG2 3.3Å; P497-V500 HydrophobicContact CB-CG2 4.09Å; P497-V500 HydrophobicContact CG-CG2 4.12Å; P497-V500 PolarHBondContact O-N 3.16Å; L498-V500 VanDerWaalsContact C-N 3.3Å; L498-V500 PolarHBondContact O-N 3.35Å; V500-A502 PolarHBondContact O-N 3.08Å; V500-Q503 PolarHBondContact O-N 3.13Å; V500-T504 HydrophobicContact CG1-CG2 4.2Å; V500-T504 WeakPolarHBondContact O-CG2 3.35Å; V500-T504 PolarHBondContact O-N 3.29Å; V500-T504 PolarHBondContact O-OG1 3.33Å
501K92.9Very high91.9Very high7 Ų734.2 Ų34.23%0.0319%0.185CC..Hα-helixtrans-62-46.9-179.7-71.5-65.3-174.8-173.50113L136 L407 E414 E496 P497 L498 Q503 T504 Y505L136-K501 HydrophobicContact CD1-CB 4.33Å; L136-K501 HydrophobicContact CD2-CB 4.3Å; L407-K501 HydrophobicContact CD1-CB 3.99Å; L407-K501 HydrophobicContact CD1-CG 4Å; E414-K501 IonicContact OE1-NZ 2.69Å; E414-K501 PolarHBondContact OE1-NZ 2.77Å; E414-K501 IonicContact OE2-NZ 3.24Å; E496-K501 VanDerWaalsContact CD-NZ 3.31Å; E496-K501 IonicContact OE1-NZ 2.76Å; E496-K501 PolarHBondContact OE1-NZ 3.48Å; E496-K501 WeakPolarHBondContact OE2-CE 3.46Å; E496-K501 IonicContact OE2-NZ 3.59Å; E496-K501 PolarHBondContact OE2-NZ 3.22Å; P497-K501 PolarHBondContact O-N 3.39Å; L498-K501 PolarHBondContact O-N 3.29Å; K501-Q503 VanDerWaalsContact C-N 3.28Å; K501-Q503 PolarHBondContact O-N 3.48Å; K501-T504 WeakPolarHBondContact CA-OG1 3.39Å; K501-T504 PolarHBondContact O-N 3.42Å; K501-T504 VanDerWaalsContact O-N 3.14Å; K501-T504 PolarHBondContact O-OG1 3.17Å; K501-Y505 PolarHBondContact O-N 3.12Å
502A94.1Very high92.3Very high18 Ų1828.5 Ų28.515%0.14915%0.15CC..Hα-helixtrans-58.5-43.1178.200000111.2L133 L136 L498 V500 K506L133-A502 HydrophobicContact CD2-CB 3.97Å; L136-A502 HydrophobicContact CD1-CB 4.39Å; L498-A502 WeakPolarHBondContact O-CB 3.32Å; L498-A502 PolarHBondContact O-N 2.92Å; V500-A502 PolarHBondContact O-N 3.08Å; A502-K506 VanDerWaalsContact O-CG 3.29Å; A502-K506 WeakPolarHBondContact O-CG 3.44Å; A502-K506 PolarHBondContact O-N 3Å
503Q94.6Very high92.8Very high53 Ų5324.9 Ų24.925%0.24813%0.131CC..Hα-helixtrans-67-42.7176.2-169.563.67.800111.4V90 A499 V500 K501 Y505 K506 T507V90-Q503 HydrophobicContact CG1-CB 4.07Å; V90-Q503 HydrophobicContact CG1-CG 4.21Å; V90-Q503 HydrophobicContact CG2-CG 4.5Å; A499-Q503 VanDerWaalsContact O-CB 3.29Å; A499-Q503 WeakPolarHBondContact O-CB 3.46Å; A499-Q503 PolarHBondContact O-N 2.99Å; V500-Q503 PolarHBondContact O-N 3.13Å; K501-Q503 VanDerWaalsContact C-N 3.28Å; K501-Q503 PolarHBondContact O-N 3.48Å; Q503-Y505 VanDerWaalsContact C-N 3.31Å; Q503-Y505 PolarHBondContact O-N 3.36Å; Q503-K506 PolarHBondContact O-N 3Å; Q503-T507 HydrophobicContact CG-CG2 4.21Å; Q503-T507 WeakPolarHBondContact O-CG2 3.29Å; Q503-T507 PolarHBondContact O-N 2.95Å; Q503-T507 PolarHBondContact O-OG1 3.03Å
504T94.9Very high93.3Very high3 Ų327.9 Ų27.92%0.01814%0.14CC..Hα-helixtrans-60.1-39.7-179.461.10000112.9V97 V500 K501 T507 A508V97-T504 HydrophobicContact CG2-CG2 3.8Å; V500-T504 HydrophobicContact CG1-CG2 4.2Å; V500-T504 WeakPolarHBondContact O-CG2 3.35Å; V500-T504 PolarHBondContact O-N 3.29Å; V500-T504 PolarHBondContact O-OG1 3.33Å; K501-T504 WeakPolarHBondContact CA-OG1 3.39Å; K501-T504 PolarHBondContact O-N 3.42Å; K501-T504 VanDerWaalsContact O-N 3.14Å; K501-T504 PolarHBondContact O-OG1 3.17Å; T504-T507 PolarHBondContact O-OG1 3.37Å; T504-A508 WeakPolarHBondContact O-CB 3.39Å; T504-A508 PolarHBondContact O-N 3.05Å
505Y95.2Very high93.5Very high0 Ų025.7 Ų25.70%013%0.129CC..Hα-helixtrans-73.2-42179.2-69.2-3.2000111.8L100 M132 L136 E414 V417 L443 K501 Q503 V509L100-Y505 HydrophobicContact CD1-CD1 3.95Å; L100-Y505 HydrophobicContact CD1-CE1 3.94Å; M132-Y505 HydrophobicContact CB-CD2 4.14Å; M132-Y505 HydrophobicContact SD-CD2 4.2Å; L136-Y505 HydrophobicContact CD1-CD2 3.59Å; L136-Y505 HydrophobicContact CD1-CE2 3.79Å; L136-Y505 HydrophobicContact CD2-CE2 3.91Å; L136-Y505 HydrophobicContact CG-CD2 4.27Å; L136-Y505 HydrophobicContact CG-CE2 4.04Å; E414-Y505 WeakPolarHBondContact CG-OH 3.22Å; V417-Y505 HydrophobicContact CG1-CE2 4.44Å; V417-Y505 HydrophobicContact CG2-CE2 4.31Å; L443-Y505 HydrophobicContact CD2-CD1 4.45Å; L443-Y505 HydrophobicContact CD2-CE1 3.97Å; K501-Y505 PolarHBondContact O-N 3.12Å; Q503-Y505 VanDerWaalsContact C-N 3.31Å; Q503-Y505 PolarHBondContact O-N 3.36Å; Y505-V509 WeakPolarHBondContact O-CB 3.4Å; Y505-V509 VanDerWaalsContact O-CG2 3.27Å; Y505-V509 WeakPolarHBondContact O-CG2 3.46Å; Y505-V509 PolarHBondContact O-N 2.92Å
506K95.3Very high93.7Very high79 Ų7923.6 Ų23.634%0.34312%0.121SC..Hα-helixtrans-57.9-54.8175.4-74.3173.3-175.7178.10110.9L129 L133 A502 Q503 A508 V509 E510L129-K506 HydrophobicContact CD1-CG 4.21Å; L133-K506 HydrophobicContact CD1-CD 4.35Å; L133-K506 VanDerWaalsContact CD1-CE 3.44Å; L133-K506 HydrophobicContact CD1-CG 4.01Å; L133-K506 HydrophobicContact CD2-CG 4.17Å; A502-K506 VanDerWaalsContact O-CG 3.29Å; A502-K506 WeakPolarHBondContact O-CG 3.44Å; A502-K506 PolarHBondContact O-N 3Å; Q503-K506 PolarHBondContact O-N 3Å; K506-A508 PolarHBondContact O-N 3.45Å; K506-V509 PolarHBondContact O-N 3.49Å; K506-E510 VanDerWaalsContact O-CB 3.27Å; K506-E510 WeakPolarHBondContact O-CB 3.28Å; K506-E510 VanDerWaalsContact O-CG 3.24Å; K506-E510 WeakPolarHBondContact O-CG 3.43Å; K506-E510 PolarHBondContact O-N 3.12Å
507T95.4Very high93.9Very high11 Ų1127.9 Ų27.97%0.06714%0.135CC..Hα-helixtrans-63.9-42.7-177.153.20000111.3Q86 V97 Q503 T504 T511Q86-T507 PolarHBondContact OE1-OG1 3.05Å; V97-T507 WeakPolarHBondContact CG1-OG1 3.45Å; V97-T507 VanDerWaalsContact CG2-OG1 3.3Å; V97-T507 WeakPolarHBondContact CG2-OG1 3.43Å; Q503-T507 HydrophobicContact CG-CG2 4.21Å; Q503-T507 WeakPolarHBondContact O-CG2 3.29Å; Q503-T507 PolarHBondContact O-N 2.95Å; Q503-T507 PolarHBondContact O-OG1 3.03Å; T504-T507 PolarHBondContact O-OG1 3.37Å; T507-T511 WeakPolarHBondContact O-CB 3.48Å; T507-T511 PolarHBondContact O-N 3.21Å; T507-T511 PolarHBondContact O-OG1 3.06Å
508A95.5Very high93.9Very high0 Ų030.1 Ų30.10%015%0.146CC..Hα-helixtrans-62.2-47178.700000112.9V97 L100 A101 M104 T504 K506 T511 A512V97-A508 HydrophobicContact CG1-CB 4.49Å; L100-A508 HydrophobicContact CB-CB 3.77Å; A101-A508 HydrophobicContact CB-CB 4.28Å; M104-A508 HydrophobicContact SD-CB 4.49Å; T504-A508 WeakPolarHBondContact O-CB 3.39Å; T504-A508 PolarHBondContact O-N 3.05Å; K506-A508 PolarHBondContact O-N 3.45Å; A508-T511 WeakPolarHBondContact O-CB 3.37Å; A508-T511 PolarHBondContact O-N 3.15Å; A508-A512 PolarHBondContact O-N 3.17Å
509V95.7Very high93.7Very high0 Ų033.2 Ų33.20%016%0.163CC..Hα-helixtrans-70.1-43.4-179176.30000111.5M104 L129 M132 Y505 K506 T511 A512 I513M104-V509 HydrophobicContact CE-CG2 3.64Å; M104-V509 HydrophobicContact SD-CB 4.35Å; M104-V509 HydrophobicContact SD-CG2 3.58Å; M104-V509 VanDerWaalsContact SD-CG2 3.58Å; L129-V509 HydrophobicContact CB-CB 4.4Å; L129-V509 HydrophobicContact CB-CG1 4.05Å; L129-V509 HydrophobicContact CB-CG2 4.42Å; L129-V509 HydrophobicContact CD1-CB 4.26Å; L129-V509 HydrophobicContact CD1-CG2 4.11Å; L129-V509 HydrophobicContact CD2-CB 4.21Å; L129-V509 HydrophobicContact CD2-CG1 4.23Å; M132-V509 HydrophobicContact CE-CG2 3.57Å; Y505-V509 WeakPolarHBondContact O-CB 3.4Å; Y505-V509 VanDerWaalsContact O-CG2 3.27Å; Y505-V509 WeakPolarHBondContact O-CG2 3.46Å; Y505-V509 PolarHBondContact O-N 2.92Å; K506-V509 PolarHBondContact O-N 3.49Å; V509-T511 VanDerWaalsContact C-N 3.27Å; V509-T511 PolarHBondContact O-N 2.87Å; V509-A512 PolarHBondContact O-N 3.36Å; V509-I513 HydrophobicContact CG1-CD1 3.71Å; V509-I513 HydrophobicContact CG1-CG1 4.36Å; V509-I513 VanDerWaalsContact O-CG1 3.29Å; V509-I513 WeakPolarHBondContact O-CG1 3.5Å; V509-I513 PolarHBondContact O-N 2.92Å
510E94.6Very high93.5Very high115 Ų11534.5 Ų34.554%0.53717%0.167SC..Hα-helixtrans-61.5-38.4177.1-74.1177.4176.300111.7K506 I513 L514K506-E510 VanDerWaalsContact O-CB 3.27Å; K506-E510 WeakPolarHBondContact O-CB 3.28Å; K506-E510 VanDerWaalsContact O-CG 3.24Å; K506-E510 WeakPolarHBondContact O-CG 3.43Å; K506-E510 PolarHBondContact O-N 3.12Å; E510-I513 PolarHBondContact O-N 3.06Å; E510-L514 WeakPolarHBondContact O-CB 3.45Å; E510-L514 PolarHBondContact O-N 3.39Å
511T94.4Very high93.2Very high7 Ų735.6 Ų35.64%0.04317%0.173CC..Hα-helixtrans-61.7-48.5173.8-60.70000111.6M79 I82 A101 T507 A508 V509 I513 L514 L515M79-T511 HydrophobicContact SD-CG2 3.52Å; M79-T511 VanDerWaalsContact SD-CG2 3.52Å; I82-T511 HydrophobicContact CD1-CG2 3.28Å; I82-T511 WeakPolarHBondContact CD1-OG1 3.47Å; A101-T511 HydrophobicContact CB-CG2 4.05Å; T507-T511 WeakPolarHBondContact O-CB 3.48Å; T507-T511 PolarHBondContact O-N 3.21Å; T507-T511 PolarHBondContact O-OG1 3.06Å; A508-T511 WeakPolarHBondContact O-CB 3.37Å; A508-T511 PolarHBondContact O-N 3.15Å; V509-T511 VanDerWaalsContact C-N 3.27Å; V509-T511 PolarHBondContact O-N 2.87Å; T511-I513 VanDerWaalsContact C-N 3.3Å; T511-I513 PolarHBondContact O-N 3.3Å; T511-L514 PolarHBondContact O-N 3.33Å; T511-L515 HydrophobicContact CG2-CD1 4.24Å; T511-L515 PolarHBondContact O-N 3.11Å
512A94.7Very high92.8Very high0 Ų039.3 Ų39.30%020%0.196CC..Hα-helixtrans-60.2-43.4177.900000110.9M104 L105 Y125 A508 V509 L514 L515 L516M104-A512 HydrophobicContact CB-CB 4.04Å; L105-A512 HydrophobicContact CD2-CB 4.14Å; L105-A512 HydrophobicContact CG-CB 4.06Å; Y125-A512 HydrophobicContact CD2-CB 4.36Å; Y125-A512 HydrophobicContact CE2-CB 4.31Å; A508-A512 PolarHBondContact O-N 3.17Å; V509-A512 PolarHBondContact O-N 3.36Å; A512-L514 PolarHBondContact O-N 2.8Å; A512-L515 PolarHBondContact O-N 3.21Å; A512-L516 WeakPolarHBondContact O-CB 3.41Å; A512-L516 VanDerWaalsContact O-CG 3.22Å; A512-L516 WeakPolarHBondContact O-CG 3.06Å; A512-L516 PolarHBondContact O-N 3Å
513I94.6Very high92Very high9 Ų941 Ų415%0.04621%0.206CC..Hα-helixtrans-61.5-43.6176.1-70.9164.3000111.8I122 R126 V509 E510 T511 R517I122-I513 HydrophobicContact CB-CG2 4.42Å; I122-I513 HydrophobicContact CD1-CG2 4.48Å; I122-I513 HydrophobicContact CG1-CG1 4.49Å; I122-I513 HydrophobicContact CG1-CG2 4.14Å; I122-I513 HydrophobicContact CG2-CB 4.42Å; I122-I513 HydrophobicContact CG2-CG1 4.16Å; I122-I513 HydrophobicContact CG2-CG2 3.54Å; R126-I513 HydrophobicContact CG-CD1 3.55Å; V509-I513 HydrophobicContact CG1-CD1 3.71Å; V509-I513 HydrophobicContact CG1-CG1 4.36Å; V509-I513 VanDerWaalsContact O-CG1 3.29Å; V509-I513 WeakPolarHBondContact O-CG1 3.5Å; V509-I513 PolarHBondContact O-N 2.92Å; E510-I513 PolarHBondContact O-N 3.06Å; T511-I513 VanDerWaalsContact C-N 3.3Å; T511-I513 PolarHBondContact O-N 3.3Å; I513-R517 WeakPolarHBondContact O-CB 3.25Å; I513-R517 PolarHBondContact O-N 3.3Å
514L94.2Very high90.9Very high90 Ų9041.3 Ų41.347%0.47122%0.224SC..Hα-helixtrans-61.3-48.3179.5178.364.3000110.7E510 T511 A512 R517E510-L514 WeakPolarHBondContact O-CB 3.45Å; E510-L514 PolarHBondContact O-N 3.39Å; T511-L514 PolarHBondContact O-N 3.33Å; A512-L514 PolarHBondContact O-N 2.8Å; L514-R517 WeakPolarHBondContact O-CB 3.44Å; L514-R517 PolarHBondContact O-N 3.15Å
515L93.6Very high89.1Confident3 Ų349.1 Ų49.12%0.01626%0.26CS..Hα-helixtrans-70.6-33.5-177.9-68.6-177.9000113A29 A75 M79 L105 T511 A512 R517 I518A29-L515 HydrophobicContact CB-CD1 4.13Å; A75-L515 HydrophobicContact CB-CD1 4.3Å; A75-L515 HydrophobicContact CB-CD2 3.65Å; M79-L515 HydrophobicContact CG-CD1 4.23Å; M79-L515 HydrophobicContact SD-CD1 3.99Å; L105-L515 HydrophobicContact CD1-CB 4.24Å; L105-L515 HydrophobicContact CD1-CD1 3.64Å; L105-L515 HydrophobicContact CD2-CB 4.15Å; T511-L515 HydrophobicContact CG2-CD1 4.24Å; T511-L515 PolarHBondContact O-N 3.11Å; A512-L515 PolarHBondContact O-N 3.21Å; L515-R517 VanDerWaalsContact C-N 3.26Å; L515-R517 PolarHBondContact O-N 3.17Å; L515-I518 HydrophobicContact CD2-CD1 3.99Å; L515-I518 PolarHBondContact O-N 3.11Å
516L92.6Very high86.9Confident2 Ų258.8 Ų58.81%0.0130%0.302CS..Hα-helixtrans-68.4-24.7173.6-73.2172000113.2I26 L105 A108 L112 I121 I122 Y125 A512 I518I26-L516 HydrophobicContact CD1-CD2 4.36Å; L105-L516 HydrophobicContact CD2-CD1 4.45Å; L105-L516 HydrophobicContact CD2-CD2 4.08Å; L105-L516 HydrophobicContact CD2-CG 3.79Å; A108-L516 HydrophobicContact CB-CD1 4.11Å; A108-L516 HydrophobicContact CB-CD2 4.04Å; L112-L516 HydrophobicContact CD1-CD2 4.02Å; I121-L516 HydrophobicContact CG2-CD1 3.88Å; I122-L516 HydrophobicContact CD1-CB 4.36Å; I122-L516 HydrophobicContact CG1-CB 4.32Å; Y125-L516 HydrophobicContact CE2-CD1 4.44Å; A512-L516 WeakPolarHBondContact O-CB 3.41Å; A512-L516 VanDerWaalsContact O-CG 3.22Å; A512-L516 WeakPolarHBondContact O-CG 3.06Å; A512-L516 PolarHBondContact O-N 3Å; L516-I518 VanDerWaalsContact C-N 3.31Å
517R92.2Very high84.5Confident137 Ų13763 Ų6352%0.51732%0.32SS..Hα-helixtrans-75.8-20178.6-168.6174.6-63.51772.8112.9I122 I513 L514 L515 D519I122-R517 HydrophobicContact CD1-CB 4.32Å; I513-R517 WeakPolarHBondContact O-CB 3.25Å; I513-R517 PolarHBondContact O-N 3.3Å; L514-R517 WeakPolarHBondContact O-CB 3.44Å; L514-R517 PolarHBondContact O-N 3.15Å; L515-R517 VanDerWaalsContact C-N 3.26Å; L515-R517 PolarHBondContact O-N 3.17Å; R517-D519 PolarHBondContact O-N 3.06Å
518I91.3Very high82.1Confident54 Ų5471.9 Ų71.928%0.27736%0.358SS..  trans-80.8114.3-178.4-59.4168.7000109.1V21 Q22 L515 L516V21-I518 HydrophobicContact CG1-CG2 4.16Å; Q22-I518 WeakPolarHBondContact CG-O 3.48Å; L515-I518 HydrophobicContact CD2-CD1 3.99Å; L515-I518 PolarHBondContact O-N 3.11Å; L516-I518 VanDerWaalsContact C-N 3.31Å
519D88.8Confident79.3Confident86 Ų8678.1 Ų78.146%0.4639%0.391SS..  trans-107.9-20.7177.764.6-22.4000113.7S17 G18 V21 R517S17-D519 CarbonylContact C-O 3.6Å; G18-D519 PolarHBondContact N-O 3.2Å; V21-D519 WeakPolarHBondContact CB-O 2.99Å; R517-D519 PolarHBondContact O-N 3.06Å
520D87.9Confident76.7Confident45 Ų4587.7 Ų87.724%0.24143%0.433CS..EExtended strand (participates in β ladder)trans-129.2137.5179.3-76.4-26.2000112.7R15 E16 S17R15-D520 IonicContact CZ-OD2 3.3Å; R15-D520 VanDerWaalsContact CZ-OD2 3.3Å; R15-D520 IonicContact NE-OD1 3.83Å; R15-D520 IonicContact NE-OD2 3.2Å; R15-D520 PolarHBondContact NE-OD2 2.54Å; R15-D520 IonicContact NH2-OD2 2.63Å; R15-D520 PolarHBondContact NH2-OD2 3.1Å; E16-D520 WeakPolarHBondContact O-CA 3.46Å; S17-D520 WeakPolarHBondContact CA-OD1 3.47Å; S17-D520 WeakPolarHBondContact CB-OD1 3.43Å; S17-D520 PolarHBondContact OG-OD1 2.63Å
521I85.1Confident74Confident29 Ų2989 Ų8915%0.14944%0.443CS..EExtended strand (participates in β ladder)trans-113.3117.4166.6-65.3169.2000108.4R15 E16 V21R15-I521 WeakPolarHBondContact CA-O 3.48Å; E16-I521 PolarHBondContact N-O 3.02Å; E16-I521 PolarHBondContact O-N 3.03Å; V21-I521 HydrophobicContact CG1-CD1 3.77Å; V21-I521 HydrophobicContact CG1-CG1 3.66Å; V21-I521 HydrophobicContact CG2-CG1 4.4Å
522V83.8Confident71.4Confident85 Ų8598 Ų9852%0.51549%0.485SS..EExtended strand (participates in β ladder)trans-107.5107179.6-175.30000108.7I13 R15I13-V522 HydrophobicContact CG2-CG1 3.38Å; R15-V522 HydrophobicContact CG-CG2 4.37Å
523S77.9Confident68.6Low53 Ų53106.8 Ų106.837%0.37153%0.526SS..EExtended strand (participates in β ladder)trans-95.1108.4178.1-66.50000110.6K14K14-S523 PolarHBondContact N-O 3.34Å; K14-S523 PolarHBondContact O-N 2.82Å
524G71.7Confident65.8Low60 Ų60115.9 Ų115.962%0.61957%0.571SS**EExtended strand (participates in β ladder)trans-100.493.7169.600000110.8K526G524-K526 PolarHBondContact O-N 2.92Å
525H57.1Low63.1Low166 Ų166115.6 Ų115.677%0.76959%0.59SS**  trans-80.7110.3168.3-79-39.9000109.5K527H525-K527 PolarHBondContact O-N 3.13Å
526K48.3Very low60.4Low204 Ų204118.8 Ų118.889%0.88762%0.623SS**  trans-65.7119.5163.2-151.9175.6-175.5-176.70106.3G524 K528G524-K526 PolarHBondContact O-N 2.92Å; K526-K528 PolarHBondContact O-N 3.17Å; K526-K528 VanDerWaalsContact O-N 3.17Å
527K45.7Very low57.8Low167 Ų167128.3 Ų128.373%0.72667%0.667SS**  trans-53.5126.2167.3-93.6179.9173.8176.80106.3H525 D529H525-K527 PolarHBondContact O-N 3.13Å; K527-D529 PolarHBondContact O-N 3.06Å; K527-D529 VanDerWaalsContact O-N 3.11Å
528K43.6Very low54.9Low198 Ų198125.7 Ų125.786%0.86168%0.682SS**  trans-60.2110.9153.5-91.5-176171-176.70104.4K526 K530K526-K528 PolarHBondContact O-N 3.17Å; K526-K528 VanDerWaalsContact O-N 3.17Å; K528-K530 PolarHBondContact O-N 3.07Å; K528-K530 VanDerWaalsContact O-N 3.15Å
529D38.4Very low52.2Low131 Ų131127.9 Ų127.970%0.70171%0.709SS**  trans-53.5122.6174.1-75.2-38.9000108.1K527 D531K527-D529 PolarHBondContact O-N 3.06Å; K527-D529 VanDerWaalsContact O-N 3.11Å; D529-D531 HydrophobicContact CB-CB 4.39Å; D529-D531 PolarHBondContact O-N 2.95Å
530K40.2Very low49.6Very low200 Ų200136.6 Ų136.687%0.8775%0.747SS**  trans-79.851.5170.9-80.9-172.5167.9-172.10109.1K528K528-K530 PolarHBondContact O-N 3.07Å; K528-K530 VanDerWaalsContact O-N 3.15Å
531D38.4Very low47.7Very low142 Ų142141.2 Ų141.276%0.75977%0.772SS**  trans-112.621-177.6-81.8-6.7000113.5D529D529-D531 HydrophobicContact CB-CB 4.39Å; D529-D531 PolarHBondContact O-N 2.95Å
532E39.5Very low45.7Very low196 Ų196147.1 Ų147.192%0.91681%0.805SS**SBendtrans-111.116.5169.6-78.1-172.7164.600114.1
533Q36Very low43.6Very low186 Ų186150.6 Ų150.687%0.86982%0.821SS**SBendtrans-125.320.5177.3-95.6-174.7-0.300116
534M36.1Very low41.6Very low199 Ų199156.3 Ų156.398%0.9885%0.848SS**SBendtrans-134.171.7164.3-74.8-157.9-174.500110.8
535G36.8Very low39.7Very low85 Ų85162.3 Ų162.388%0.87686%0.862SS**SBendtrans-160.562.4177.200000111.5
536G37.6Very low38.6Very low69 Ų69162.1 Ų162.171%0.71187%0.868SS**  trans163.462172.900000114.5
537H38.2Very low37.9Very low203 Ų203159.1 Ų159.194%0.9487%0.867SS**  trans-146.7109.3151.6-102.953.6000107.3
538G30.2Very low37.3Very low81 Ų81158.5 Ų158.584%0.83588%0.878SS**  trans1577817500000113.3
539A35.4Very low36.8Very low101 Ų101155.2 Ų155.284%0.83588%0.879SS**  172.7124127.800000109.3
540E34.2Very low36.6Very low269 Ų269157.4 Ų157.4100%1.25790%0.895SS**  trans-57.40160.1-70174.5139.600112.4

Retrieved 540 of 540 residues in 909.7 ms (Link to these results)

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