A0A087XYN6_POEFO Loading...

Chaperonin containing TCP1, subunit 6A (zeta 1)

AlphaFold DB , UniProt , Accession A0A087XYN6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 531 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
1M50.5Low74.8Confident241 Ų24197.8 Ų97.8100%1.18755%0.546SS*.  01310-67.8-166.2-160.300108.3
2A56.9Low75.6Confident19 Ų1999.8 Ų99.816%0.15755%0.547CS..  trans-64.5134.1-174.500000111.3V4 K5 A6A2-V4 PolarHBondContact O-N 3.01Å; A2-K5 HydrophobicContact CB-CB 4.49Å; A2-K5 HydrophobicContact CB-CG 4.33Å; A2-K5 WeakPolarHBondContact O-CA 3.33Å; A2-K5 WeakPolarHBondContact O-CB 3.47Å; A2-K5 PolarHBondContact O-N 2.91Å; A2-A6 PolarHBondContact O-N 3.16Å
3A71.3Confident76.3Confident71 Ų7195.2 Ų95.259%0.58752%0.524SS*.Hα-helixtrans-50.3-31.117100000112.3A6 L7A3-A6 WeakPolarHBondContact O-CB 3.43Å; A3-A6 PolarHBondContact O-N 2.88Å; A3-L7 PolarHBondContact O-N 3.36Å
4V72.6Confident77Confident21 Ų2190.1 Ų90.113%0.12750%0.501CS..Hα-helixtrans-67.2-37.1174.7-175.40000112.7A2 A6 L7 N8 A11 V13 M522A2-V4 PolarHBondContact O-N 3.01Å; V4-A6 PolarHBondContact O-N 3.33Å; V4-L7 PolarHBondContact O-N 2.73Å; V4-L7 VanDerWaalsContact O-N 3.08Å; V4-N8 PolarHBondContact O-N 3.09Å; V4-A11 HydrophobicContact CG1-CB 4.16Å; V4-V13 HydrophobicContact CB-CG2 4.03Å; V4-V13 HydrophobicContact CG1-CG2 3.66Å; V4-M522 HydrophobicContact CG1-SD 4.19Å; V4-M522 HydrophobicContact CG2-CE 3.73Å; V4-M522 HydrophobicContact CG2-SD 4.26Å
5K76.1Confident77.5Confident123 Ų12391.3 Ų91.354%0.53550%0.495SS..Hα-helixtrans-68.7-22174.3-75-170.5175.5-172.20112.5A2 N8A2-K5 HydrophobicContact CB-CB 4.49Å; A2-K5 HydrophobicContact CB-CG 4.33Å; A2-K5 WeakPolarHBondContact O-CA 3.33Å; A2-K5 WeakPolarHBondContact O-CB 3.47Å; A2-K5 PolarHBondContact O-N 2.91Å; K5-N8 CarbonylContact O-C 3.47Å
6A79.8Confident77.8Confident91 Ų9189.4 Ų89.475%0.75250%0.496SS*.Hα-helixtrans-74.4-31.3170.500000112.1A2 A3 V4A2-A6 PolarHBondContact O-N 3.16Å; A3-A6 WeakPolarHBondContact O-CB 3.43Å; A3-A6 PolarHBondContact O-N 2.88Å; V4-A6 PolarHBondContact O-N 3.33Å
7L83.1Confident78.2Confident153 Ų15392.2 Ų92.280%0.80150%0.504SS*.Hα-helixtrans-79.3-41.1175.5-65.7169.2000112.5A3 V4A3-L7 PolarHBondContact O-N 3.36Å; V4-L7 PolarHBondContact O-N 2.73Å; V4-L7 VanDerWaalsContact O-N 3.08Å
8N82.3Confident78.8Confident55 Ų5590.1 Ų90.129%0.29450%0.501SS..  trans-141.5107.9176.6-176.5-7.6000110.2V4 K5 K10 A11V4-N8 PolarHBondContact O-N 3.09Å; K5-N8 CarbonylContact O-C 3.47Å; N8-K10 PolarHBondContact O-N 3.16Å; N8-K10 VanDerWaalsContact O-N 3.14Å; N8-K10 PolarHBondContact OD1-N 2.66Å; N8-A11 HydrophobicContact CB-CB 3.95Å; N8-A11 WeakPolarHBondContact O-CB 3.42Å; N8-A11 PolarHBondContact O-N 3Å; N8-A11 VanDerWaalsContact O-N 3.11Å
9P82.4Confident79.4Confident109 Ų10985.4 Ų85.471%0.70848%0.475SS*.THydrogen-bonded Turntrans-60.6-25.2-179.8-23.833.2000114
10K84.3Confident79.9Confident189 Ų18981.6 Ų81.682%0.82245%0.454SS*.THydrogen-bonded Turntrans-92.9-0.2-178.7-62.8-174.6179.7-178.80113.6N8N8-K10 PolarHBondContact O-N 3.16Å; N8-K10 VanDerWaalsContact O-N 3.14Å; N8-K10 PolarHBondContact OD1-N 2.66Å
11A83Confident80.4Confident4 Ų480.3 Ų80.33%0.03345%0.454CS..  trans-73.8129.1179.200000111.3V4 N8 V13 A524V4-A11 HydrophobicContact CG1-CB 4.16Å; N8-A11 HydrophobicContact CB-CB 3.95Å; N8-A11 WeakPolarHBondContact O-CB 3.42Å; N8-A11 PolarHBondContact O-N 3Å; N8-A11 VanDerWaalsContact O-N 3.11Å; A11-V13 HydrophobicContact CB-CG2 4.48Å; A11-A524 HydrophobicContact CB-CB 4.36Å
12E84.3Confident82.4Confident121 Ų12171.8 Ų71.857%0.56542%0.415SS*.EExtended strand (participates in β ladder)trans-89131.2168.5-61.3175.4160.400108.5R523E12-R523 HydrophobicContact CB-CB 4.14Å; E12-R523 PolarHBondContact N-O 3.39Å; E12-R523 PolarHBondContact O-N 3.49Å; E12-R523 WeakPolarHBondContact OE2-CD 3.42Å; E12-R523 IonicContact OE2-NH1 3.87Å
13V85.4Confident84.1Confident40 Ų4071.1 Ų71.124%0.24241%0.409CS..EExtended strand (participates in β ladder)trans-138.2129.1-176.9-173.20000110.1V4 A11 R15 I521 M522V4-V13 HydrophobicContact CB-CG2 4.03Å; V4-V13 HydrophobicContact CG1-CG2 3.66Å; A11-V13 HydrophobicContact CB-CG2 4.48Å; V13-R15 HydrophobicContact CG1-CG 3.96Å; V13-I521 WeakPolarHBondContact CA-O 3.23Å; V13-M522 HydrophobicContact CG1-CG 4.27Å; V13-M522 HydrophobicContact CG2-CG 4.32Å
14A85.3Confident85.2Confident25 Ų2567.8 Ų67.821%0.20738%0.381CS..EExtended strand (participates in β ladder)trans-105.6137.7162.800000109A19 E520 I521A14-A19 HydrophobicContact CB-CB 4.29Å; A14-E520 WeakPolarHBondContact O-CA 3.37Å; A14-I521 HydrophobicContact CB-CB 4.41Å; A14-I521 PolarHBondContact N-O 2.69Å; A14-I521 PolarHBondContact O-N 3.31Å
15R85.4Confident86.2Confident107 Ų10770.7 Ų70.740%0.40440%0.402SS..EExtended strand (participates in β ladder)trans-121.5146-172.7-65.4-168.2155.5-169.7-11.1113.5V13 Q17 A18 A19 D519 E520V13-R15 HydrophobicContact CG1-CG 3.96Å; R15-Q17 PolarHBondContact O-N 3.44Å; R15-Q17 VanDerWaalsContact O-N 3.14Å; R15-A18 WeakPolarHBondContact O-CB 3.37Å; R15-A18 PolarHBondContact O-N 2.91Å; R15-A19 PolarHBondContact O-N 3.22Å; R15-D519 CarbonylContact C-O 3.56Å; R15-E520 WeakPolarHBondContact CD-OE1 3.38Å; R15-E520 HydrophobicContact CG-CG 4.2Å; R15-E520 WeakPolarHBondContact CG-OE1 3.38Å; R15-E520 IonicContact CZ-OE1 3.43Å; R15-E520 VanDerWaalsContact CZ-OE1 3.28Å; R15-E520 IonicContact NE-OE1 3.64Å; R15-E520 PolarHBondContact NE-OE1 3.24Å; R15-E520 IonicContact NH2-OE1 2.74Å; R15-E520 PolarHBondContact NH2-OE1 3.38Å
16A82.2Confident87.1Confident62 Ų6265.6 Ų65.651%0.51238%0.383SS..THydrogen-bonded Turntrans37.3-110.6175.900000112.3A18 A19 L20 D519A16-A18 VanDerWaalsContact C-N 3.29Å; A16-A18 PolarHBondContact O-N 3.46Å; A16-A19 WeakPolarHBondContact O-CB 3.14Å; A16-A19 PolarHBondContact O-N 3Å; A16-A19 VanDerWaalsContact O-N 3.15Å; A16-L20 PolarHBondContact O-N 2.95Å; A16-D519 VanDerWaalsContact CA-O 3.29Å; A16-D519 WeakPolarHBondContact CA-O 3.31Å; A16-D519 PolarHBondContact N-O 3.13Å
17Q84.8Confident87.8Confident137 Ų13761.3 Ų61.364%0.6435%0.348SS*.Hα-helixtrans-61.5-32.8-179.5-73.6-165.9-25.500113.9R15 L20 A21R15-Q17 PolarHBondContact O-N 3.44Å; R15-Q17 VanDerWaalsContact O-N 3.14Å; Q17-L20 PolarHBondContact O-N 3.2Å; Q17-A21 VanDerWaalsContact O-CB 3.3Å; Q17-A21 WeakPolarHBondContact O-CB 3.27Å; Q17-A21 PolarHBondContact O-N 2.9Å
18A88.4Confident88.3Confident54 Ų5457.7 Ų57.745%0.44632%0.323SS..Hα-helixtrans-69.1-38176.700000111.6R15 A16 V22R15-A18 WeakPolarHBondContact O-CB 3.37Å; R15-A18 PolarHBondContact O-N 2.91Å; A16-A18 VanDerWaalsContact C-N 3.29Å; A16-A18 PolarHBondContact O-N 3.46Å; A18-V22 WeakPolarHBondContact O-CB 3.21Å; A18-V22 VanDerWaalsContact O-CG2 3.22Å; A18-V22 WeakPolarHBondContact O-CG2 3.21Å; A18-V22 PolarHBondContact O-N 3.34Å; A18-V22 VanDerWaalsContact O-N 3.09Å
19A89.4Confident88.9Confident0 Ų056.9 Ų56.90%033%0.328CS..Hα-helixtrans-64.3-45.2174.200000110.9A14 R15 A16 V22 N23 D519 I521A14-A19 HydrophobicContact CB-CB 4.29Å; R15-A19 PolarHBondContact O-N 3.22Å; A16-A19 WeakPolarHBondContact O-CB 3.14Å; A16-A19 PolarHBondContact O-N 3Å; A16-A19 VanDerWaalsContact O-N 3.15Å; A19-V22 PolarHBondContact O-N 3.41Å; A19-N23 VanDerWaalsContact O-CG 3.32Å; A19-N23 PolarHBondContact O-N 3.43Å; A19-N23 PolarHBondContact O-ND2 3.41Å; A19-D519 WeakPolarHBondContact CB-O 3.3Å; A19-I521 HydrophobicContact CB-CD1 4.15Å; A19-I521 HydrophobicContact CB-CG1 4.03Å
20L89.6Confident89.4Confident10 Ų1052.2 Ų52.25%0.05230%0.297CS..Hα-helixtrans-61.3-47.5176.9-174.267000112A16 Q17 V22 N23 I24 V110 L516A16-L20 PolarHBondContact O-N 2.95Å; Q17-L20 PolarHBondContact O-N 3.2Å; L20-V22 VanDerWaalsContact C-N 3.31Å; L20-V22 PolarHBondContact O-N 3.37Å; L20-N23 WeakPolarHBondContact O-CB 3.48Å; L20-N23 PolarHBondContact O-N 3Å; L20-N23 VanDerWaalsContact O-N 3.16Å; L20-I24 HydrophobicContact CD1-CD1 3.91Å; L20-I24 HydrophobicContact CD1-CG1 4.25Å; L20-I24 HydrophobicContact CD2-CD1 4.27Å; L20-I24 HydrophobicContact CG-CD1 3.69Å; L20-I24 HydrophobicContact CG-CG1 4.34Å; L20-I24 VanDerWaalsContact O-CG1 3.28Å; L20-I24 WeakPolarHBondContact O-CG1 3.43Å; L20-I24 PolarHBondContact O-N 3.03Å; L20-V110 HydrophobicContact CD2-CB 4.18Å; L20-V110 HydrophobicContact CD2-CG1 3.6Å; L20-V110 HydrophobicContact CD2-CG2 4.21Å; L20-L516 HydrophobicContact CD1-CD2 3.87Å
21A90.6Very high89.9Confident55 Ų5543.6 Ų43.646%0.45526%0.26SS..Hα-helixtrans-60.2-40.6178.700000112.2Q17 S25Q17-A21 VanDerWaalsContact O-CB 3.3Å; Q17-A21 WeakPolarHBondContact O-CB 3.27Å; Q17-A21 PolarHBondContact O-N 2.9Å; A21-S25 WeakPolarHBondContact O-CB 3.06Å; A21-S25 PolarHBondContact O-N 2.91Å
22V92.8Very high90.4Very high61 Ų6148.4 Ų48.437%0.3728%0.284SS..Hα-helixtrans-63.6-44.4175.1168.60000111.1A18 A19 L20 S25 A26 H71 I521A18-V22 WeakPolarHBondContact O-CB 3.21Å; A18-V22 VanDerWaalsContact O-CG2 3.22Å; A18-V22 WeakPolarHBondContact O-CG2 3.21Å; A18-V22 PolarHBondContact O-N 3.34Å; A18-V22 VanDerWaalsContact O-N 3.09Å; A19-V22 PolarHBondContact O-N 3.41Å; L20-V22 VanDerWaalsContact C-N 3.31Å; L20-V22 PolarHBondContact O-N 3.37Å; V22-S25 PolarHBondContact O-N 3.16Å; V22-A26 WeakPolarHBondContact O-CB 3.48Å; V22-A26 PolarHBondContact O-N 2.76Å; V22-H71 WeakPolarHBondContact CG1-NE2 3.28Å; V22-I521 HydrophobicContact CG1-CD1 4.26Å
23N93.4Very high90.8Very high5 Ų545.1 Ų45.13%0.02727%0.273CS..Hα-helixtrans-61.3-47.9177.2-75.3-23.2000112.6A19 L20 A26 A27 T73 I515 I521A19-N23 VanDerWaalsContact O-CG 3.32Å; A19-N23 PolarHBondContact O-N 3.43Å; A19-N23 PolarHBondContact O-ND2 3.41Å; L20-N23 WeakPolarHBondContact O-CB 3.48Å; L20-N23 PolarHBondContact O-N 3Å; L20-N23 VanDerWaalsContact O-N 3.16Å; N23-A26 PolarHBondContact O-N 3.19Å; N23-A27 WeakPolarHBondContact O-CB 3.22Å; N23-A27 PolarHBondContact O-N 3.35Å; N23-T73 HydrophobicContact CB-CG2 4.06Å; N23-T73 PolarHBondContact OD1-OG1 3.2Å; N23-I515 HydrophobicContact CB-CG2 3.71Å; N23-I521 WeakPolarHBondContact OD1-CD1 3.47Å
24I93.3Very high91.2Very high2 Ų243.3 Ų43.31%0.0126%0.262CS..Hα-helixtrans-67.2-42.3-178.8-63.9174.8000110.3L20 A26 A27 R28 L103 D107L20-I24 HydrophobicContact CD1-CD1 3.91Å; L20-I24 HydrophobicContact CD1-CG1 4.25Å; L20-I24 HydrophobicContact CD2-CD1 4.27Å; L20-I24 HydrophobicContact CG-CD1 3.69Å; L20-I24 HydrophobicContact CG-CG1 4.34Å; L20-I24 VanDerWaalsContact O-CG1 3.28Å; L20-I24 WeakPolarHBondContact O-CG1 3.43Å; L20-I24 PolarHBondContact O-N 3.03Å; I24-A26 VanDerWaalsContact C-N 3.34Å; I24-A26 PolarHBondContact O-N 2.74Å; I24-A27 PolarHBondContact O-N 2.9Å; I24-R28 HydrophobicContact CG2-CG 4.34Å; I24-R28 WeakPolarHBondContact O-CB 3.49Å; I24-R28 WeakPolarHBondContact O-CG 3.33Å; I24-R28 PolarHBondContact O-N 3.49Å; I24-L103 HydrophobicContact CG1-CB 4.24Å; I24-D107 HydrophobicContact CD1-CB 3.78Å; I24-D107 WeakPolarHBondContact CD1-OD1 3.49Å; I24-D107 HydrophobicContact CG2-CB 4.41Å
25S94.4Very high91.6Very high81 Ų8144.4 Ų44.457%0.56626%0.262SS*.Hα-helixtrans-59.4-44.7175.8-177.30000111.8A21 V22 R28 G29A21-S25 WeakPolarHBondContact O-CB 3.06Å; A21-S25 PolarHBondContact O-N 2.91Å; V22-S25 PolarHBondContact O-N 3.16Å; S25-R28 PolarHBondContact O-N 2.88Å; S25-G29 PolarHBondContact O-N 3.02Å
26A94.1Very high92Very high17 Ų1740.6 Ų40.614%0.1425%0.252CS..Hα-helixtrans-65.2-40.717700000112.9V22 N23 I24 G29 L30 H71V22-A26 WeakPolarHBondContact O-CB 3.48Å; V22-A26 PolarHBondContact O-N 2.76Å; N23-A26 PolarHBondContact O-N 3.19Å; I24-A26 VanDerWaalsContact C-N 3.34Å; I24-A26 PolarHBondContact O-N 2.74Å; A26-G29 PolarHBondContact O-N 2.88Å; A26-L30 PolarHBondContact O-N 3.44Å; A26-H71 HydrophobicContact CB-CB 4.48Å; A26-H71 WeakPolarHBondContact CB-CE1 3.49Å; A26-H71 VanDerWaalsContact CB-ND1 3.3Å; A26-H71 WeakPolarHBondContact CB-ND1 3.46Å
27A94.9Very high92.5Very high1 Ų137.9 Ų37.91%0.00823%0.229CC..Hα-helixtrans-65.3-43.4176.400000111.9N23 I24 L30 Q31 I77 L103N23-A27 WeakPolarHBondContact O-CB 3.22Å; N23-A27 PolarHBondContact O-N 3.35Å; I24-A27 PolarHBondContact O-N 2.9Å; A27-L30 PolarHBondContact O-N 2.94Å; A27-Q31 WeakPolarHBondContact O-CB 3.44Å; A27-Q31 PolarHBondContact O-N 3.43Å; A27-I77 HydrophobicContact CB-CD1 3.74Å; A27-L103 HydrophobicContact CB-CD1 3.49Å; A27-L103 VanDerWaalsContact CB-CD1 3.49Å
28R94.4Very high92.9Very high77 Ų7732.1 Ų32.129%0.29120%0.202SC..Hα-helixtrans-61.6-44.4174.2-73.2-179.9-174.8168.68.9111.6I24 S25 L30 Q31 D32 K104 D107I24-R28 HydrophobicContact CG2-CG 4.34Å; I24-R28 WeakPolarHBondContact O-CB 3.49Å; I24-R28 WeakPolarHBondContact O-CG 3.33Å; I24-R28 PolarHBondContact O-N 3.49Å; S25-R28 PolarHBondContact O-N 2.88Å; R28-L30 VanDerWaalsContact C-N 3.31Å; R28-L30 PolarHBondContact O-N 3.1Å; R28-Q31 WeakPolarHBondContact O-CB 3.43Å; R28-Q31 PolarHBondContact O-N 3.06Å; R28-D32 PolarHBondContact O-N 3.28Å; R28-K104 HydrophobicContact CG-CB 4.47Å; R28-D107 IonicContact CZ-OD2 2.68Å; R28-D107 IonicContact NH1-OD2 2.62Å; R28-D107 IonicContact NH2-OD2 3.13Å; R28-D107 PolarHBondContact NH2-OD2 3.45Å
29G93.8Very high93.1Very high37 Ų3730 Ų3038%0.38119%0.185SC..Hα-helixtrans-59-41.7176.300000112.6S25 A26 V33S25-G29 PolarHBondContact O-N 3.02Å; A26-G29 PolarHBondContact O-N 2.88Å; G29-V33 WeakPolarHBondContact O-CG2 3.23Å; G29-V33 PolarHBondContact O-N 3.34Å
30L93.4Very high93.2Very high12 Ų1232.3 Ų32.36%0.06320%0.2CC..Hα-helixtrans-70.2-39.5176.5-165.466.4000112.3A26 A27 R28 V33 L34 L64 A74 I77 V96A26-L30 PolarHBondContact O-N 3.44Å; A27-L30 PolarHBondContact O-N 2.94Å; R28-L30 VanDerWaalsContact C-N 3.31Å; R28-L30 PolarHBondContact O-N 3.1Å; L30-V33 PolarHBondContact O-N 3.45Å; L30-L34 HydrophobicContact CG-CD1 4.5Å; L30-L34 PolarHBondContact O-N 3Å; L30-L34 VanDerWaalsContact O-N 3.1Å; L30-L64 HydrophobicContact CD1-CD2 3.83Å; L30-L64 HydrophobicContact CD2-CD2 4.07Å; L30-L64 HydrophobicContact CG-CD2 4.31Å; L30-A74 HydrophobicContact CD2-CB 4.28Å; L30-I77 HydrophobicContact CD2-CB 4.14Å; L30-I77 HydrophobicContact CD2-CG2 3.84Å; L30-V96 HydrophobicContact CB-CG1 4.32Å; L30-V96 HydrophobicContact CD2-CG1 3.8Å; L30-V96 HydrophobicContact CG-CG1 3.84Å
31Q95.1Very high93.3Very high8 Ų837.5 Ų37.54%0.03722%0.223CC..Hα-helixtrans-57.1-49.6173173.4-173.32.800110.7A27 R28 V33 L34 K35 L97 E101A27-Q31 WeakPolarHBondContact O-CB 3.44Å; A27-Q31 PolarHBondContact O-N 3.43Å; R28-Q31 WeakPolarHBondContact O-CB 3.43Å; R28-Q31 PolarHBondContact O-N 3.06Å; Q31-V33 VanDerWaalsContact C-N 3.32Å; Q31-V33 PolarHBondContact O-N 3.06Å; Q31-L34 PolarHBondContact O-N 3.22Å; Q31-L34 VanDerWaalsContact O-N 3.17Å; Q31-K35 WeakPolarHBondContact O-CB 3.31Å; Q31-K35 PolarHBondContact O-N 3.22Å; Q31-L97 HydrophobicContact CB-CD2 4.35Å; Q31-L97 HydrophobicContact CG-CD2 3.6Å; Q31-L97 WeakPolarHBondContact O-CD2 3.23Å; Q31-E101 PolarHBondContact NE2-OE2 3.03Å
32D93.5Very high93.3Very high104 Ų10435.4 Ų35.456%0.55621%0.206SC*.Hα-helixtrans-64.3-36.5-178-74.1-26.8000112.5R28R28-D32 PolarHBondContact O-N 3.28Å
33V92.7Very high93.2Very high53 Ų5336.5 Ų36.532%0.32121%0.213SC..Hα-helixtrans-62.3-47.4173.5171.70000110.3G29 L30 Q31 S36 K45 M67G29-V33 WeakPolarHBondContact O-CG2 3.23Å; G29-V33 PolarHBondContact O-N 3.34Å; L30-V33 PolarHBondContact O-N 3.45Å; Q31-V33 VanDerWaalsContact C-N 3.32Å; Q31-V33 PolarHBondContact O-N 3.06Å; V33-S36 PolarHBondContact O-OG 3.15Å; V33-K45 HydrophobicContact CG1-CD 4.47Å; V33-K45 WeakPolarHBondContact O-CE 3.35Å; V33-K45 PolarHBondContact O-NZ 3.43Å; V33-M67 HydrophobicContact CG1-SD 4.47Å
34L93.8Very high93.1Very high1 Ų140.3 Ų40.31%0.00523%0.232CC..Hα-helixtrans-83.1-19.1-174.8-73.7176.4000114.3L30 Q31 S36 N37 L63 L64 T93 V96L30-L34 HydrophobicContact CG-CD1 4.5Å; L30-L34 PolarHBondContact O-N 3Å; L30-L34 VanDerWaalsContact O-N 3.1Å; Q31-L34 PolarHBondContact O-N 3.22Å; Q31-L34 VanDerWaalsContact O-N 3.17Å; L34-S36 PolarHBondContact O-N 3.38Å; L34-N37 WeakPolarHBondContact O-CB 3.38Å; L34-N37 PolarHBondContact O-N 3.26Å; L34-L63 HydrophobicContact CD2-CB 4.39Å; L34-L63 HydrophobicContact CD2-CD1 3.88Å; L34-L64 HydrophobicContact CD1-CD1 4.2Å; L34-L64 HydrophobicContact CD1-CD2 4.15Å; L34-L64 HydrophobicContact CD1-CG 4.31Å; L34-T93 HydrophobicContact CB-CG2 4.23Å; L34-T93 WeakPolarHBondContact O-CG2 3.45Å; L34-V96 HydrophobicContact CD1-CB 3.72Å; L34-V96 HydrophobicContact CD1-CG1 3.75Å; L34-V96 HydrophobicContact CD1-CG2 3.73Å
35K94.4Very high93Very high48 Ų4842.4 Ų42.421%0.20924%0.241CC..Hα-helixtrans-54-41.2-178.8176.3172.5168.3167.90112.7Q31 N37 L38 L97 V450 N454Q31-K35 WeakPolarHBondContact O-CB 3.31Å; Q31-K35 PolarHBondContact O-N 3.22Å; K35-N37 PolarHBondContact O-N 3.05Å; K35-N37 VanDerWaalsContact O-N 3.13Å; K35-L38 PolarHBondContact O-N 3.13Å; K35-L97 HydrophobicContact CB-CD2 3.92Å; K35-V450 HydrophobicContact CD-CG2 3.97Å; K35-V450 HydrophobicContact CG-CB 4.34Å; K35-V450 HydrophobicContact CG-CG1 3.59Å; K35-V450 HydrophobicContact CG-CG2 3.79Å; K35-V450 WeakPolarHBondContact O-CG1 3.48Å; K35-N454 PolarHBondContact O-ND2 2.86Å
36S93.4Very high92.9Very high28 Ų2844.3 Ų44.320%0.19624%0.242CC..THydrogen-bonded Turntrans-63.2-19.8-179.867.80000113.6V33 L34 G42 T43 K45V33-S36 PolarHBondContact O-OG 3.15Å; L34-S36 PolarHBondContact O-N 3.38Å; S36-G42 CarbonylContact O-C 3.59Å; S36-G42 WeakPolarHBondContact O-CA 3.32Å; S36-T43 WeakPolarHBondContact CB-OG1 3.38Å; S36-T43 PolarHBondContact O-N 2.93Å; S36-T43 PolarHBondContact O-OG1 3.28Å; S36-T43 PolarHBondContact OG-OG1 3.41Å; S36-K45 PolarHBondContact OG-NZ 2.75Å
37N91.9Very high92.7Very high5 Ų545.2 Ų45.23%0.02724%0.244CC..THydrogen-bonded Turntrans-89-19.4-174.3-63.813.7000113.7L34 K35 G39 T43 K45 K58 L63 T93L34-N37 WeakPolarHBondContact O-CB 3.38Å; L34-N37 PolarHBondContact O-N 3.26Å; K35-N37 PolarHBondContact O-N 3.05Å; K35-N37 VanDerWaalsContact O-N 3.13Å; N37-G39 PolarHBondContact O-N 3.12Å; N37-T43 PolarHBondContact OD1-O 3.03Å; N37-K45 VanDerWaalsContact OD1-CE 3.23Å; N37-K45 WeakPolarHBondContact OD1-CE 3.3Å; N37-K58 HydrophobicContact CB-CG 4.16Å; N37-K58 WeakPolarHBondContact CB-O 3.27Å; N37-K58 PolarHBondContact ND2-O 3.13Å; N37-K58 VanDerWaalsContact ND2-O 3.15Å; N37-K58 WeakPolarHBondContact O-CE 3.33Å; N37-L63 WeakPolarHBondContact ND2-CD1 3.46Å; N37-T93 HydrophobicContact CB-CG2 4.42Å
38L94.3Very high92.5Very high15 Ų1549.8 Ų49.88%0.07927%0.272CS..SBendtrans-66.4134.2-171.8-17374.5000111.6K35 T93 S94 L97 I447 V450 L451 N454K35-L38 PolarHBondContact O-N 3.13Å; L38-T93 HydrophobicContact CB-CG2 4.22Å; L38-T93 HydrophobicContact CD1-CG2 4.18Å; L38-S94 WeakPolarHBondContact CD1-OG 3.26Å; L38-L97 HydrophobicContact CB-CD1 3.98Å; L38-L97 HydrophobicContact CD1-CD1 4.18Å; L38-L97 HydrophobicContact CD2-CD1 3.69Å; L38-L97 HydrophobicContact CG-CD1 4.15Å; L38-I447 HydrophobicContact CD2-CG2 4.36Å; L38-V450 HydrophobicContact CB-CG1 3.89Å; L38-V450 HydrophobicContact CD2-CB 3.91Å; L38-V450 HydrophobicContact CD2-CG1 3.7Å; L38-V450 HydrophobicContact CG-CG1 4.41Å; L38-L451 HydrophobicContact CD2-CD2 4.15Å; L38-L451 HydrophobicContact CD2-CG 4.1Å; L38-L451 HydrophobicContact CG-CD2 4.05Å; L38-N454 PolarHBondContact O-ND2 3.46Å
39G92Very high92.2Very high9 Ų948.1 Ų48.19%0.09327%0.272CS..SBendtrans80.4167.8174.600000114.1N37 K41 G42 K58N37-G39 PolarHBondContact O-N 3.12Å; G39-K41 VanDerWaalsContact C-N 3.29Å; G39-K41 PolarHBondContact O-N 2.79Å; G39-G42 PolarHBondContact O-N 3.49Å; G39-K58 WeakPolarHBondContact O-CE 3.47Å; G39-K58 PolarHBondContact O-NZ 2.87Å
40P91.4Very high91.9Very high49 Ų4951 Ų5132%0.31830%0.302SS..THydrogen-bonded Turntrans-63.4-31.6-176.826.7-36.1000113.3G42 K58 R157 L481P40-G42 VanDerWaalsContact C-N 3.29Å; P40-G42 PolarHBondContact O-N 2.93Å; P40-K58 PolarHBondContact O-NZ 3.19Å; P40-R157 WeakPolarHBondContact CA-O 3.37Å; P40-R157 HydrophobicContact CB-CB 4.29Å; P40-R157 WeakPolarHBondContact CB-O 3.45Å; P40-L481 HydrophobicContact CG-CD1 3.17Å
41K92.4Very high91.8Very high120 Ų12055.2 Ų55.252%0.52234%0.338SS..THydrogen-bonded Turntrans-81.1-2174.5-61.4-65.4-173.1174.40114.3G39 L481G39-K41 VanDerWaalsContact C-N 3.29Å; G39-K41 PolarHBondContact O-N 2.79Å; K41-L481 HydrophobicContact CG-CB 4.24Å
42G90.3Very high91.5Very high11 Ų1157 Ų5711%0.11336%0.36CS..PPolyproline II helixtrans-63.3153.8174.700000113.3S36 G39 P40 K58S36-G42 CarbonylContact O-C 3.59Å; S36-G42 WeakPolarHBondContact O-CA 3.32Å; G39-G42 PolarHBondContact O-N 3.49Å; P40-G42 VanDerWaalsContact C-N 3.29Å; P40-G42 PolarHBondContact O-N 2.93Å; G42-K58 VanDerWaalsContact O-CE 3.27Å; G42-K58 WeakPolarHBondContact O-CE 3.36Å; G42-K58 PolarHBondContact O-NZ 3.46Å
43T91.4Very high91.2Very high83 Ų8355.3 Ų55.351%0.50935%0.35SS..PPolyproline II helixtrans-86.2150.7-178.960.80000112.2S36 N37S36-T43 WeakPolarHBondContact CB-OG1 3.38Å; S36-T43 PolarHBondContact O-N 2.93Å; S36-T43 PolarHBondContact O-OG1 3.28Å; S36-T43 PolarHBondContact OG-OG1 3.41Å; N37-T43 PolarHBondContact OD1-O 3.03Å
44M90.3Very high91Very high85 Ų8556.6 Ų56.642%0.41936%0.355SS..PPolyproline II helixtrans-83.1151.2173.4-66.4-173.2-77.500110.7K58 Q386M44-K58 HydrophobicContact CG-CB 4.37Å; M44-Q386 PolarHBondContact SD-NE2 3.4Å
45K91.6Very high90.7Very high47 Ų4759.5 Ų59.520%0.20437%0.367CS..EExtended strand (participates in β ladder)trans-109.4136.3170.4-62.5-163-168-64.50110.4V33 S36 N37 T57 L63V33-K45 HydrophobicContact CG1-CD 4.47Å; V33-K45 WeakPolarHBondContact O-CE 3.35Å; V33-K45 PolarHBondContact O-NZ 3.43Å; S36-K45 PolarHBondContact OG-NZ 2.75Å; N37-K45 VanDerWaalsContact OD1-CE 3.23Å; N37-K45 WeakPolarHBondContact OD1-CE 3.3Å; K45-T57 PolarHBondContact N-O 2.76Å; K45-T57 PolarHBondContact O-N 2.97Å; K45-L63 HydrophobicContact CB-CD1 4.35Å; K45-L63 HydrophobicContact CB-CD2 3.89Å; K45-L63 HydrophobicContact CD-CD1 3.8Å; K45-L63 HydrophobicContact CD-CD2 4.19Å; K45-L63 HydrophobicContact CG-CD1 4.24Å
46M91.3Very high90.5Very high121 Ų12158.9 Ų58.960%0.59637%0.366SS*.EExtended strand (participates in β ladder)trans-97.5119.6171.7-173-178.6-73.200108.8I54 L56M46-I54 HydrophobicContact CE-CG2 4.48Å; M46-I54 HydrophobicContact CG-CG2 3.69Å; M46-I54 HydrophobicContact SD-CG2 3.97Å; M46-L56 HydrophobicContact CB-CD2 3.66Å; M46-L56 HydrophobicContact CE-CD2 3.69Å; M46-L56 HydrophobicContact CG-CD2 3.8Å
47L90.7Very high90.3Very high35 Ų3557.9 Ų57.918%0.18336%0.359CS..EExtended strand (participates in β ladder)trans-103.6133.1173.3-62.9-175.9000109.3I54 K55 L63 E66L47-I54 WeakPolarHBondContact O-CA 3.37Å; L47-K55 PolarHBondContact N-O 3.41Å; L47-K55 PolarHBondContact O-N 3.29Å; L47-L63 HydrophobicContact CD1-CD2 3.62Å; L47-L63 HydrophobicContact CD2-CD2 3.95Å; L47-L63 HydrophobicContact CG-CD2 3.8Å; L47-E66 HydrophobicContact CD1-CB 3.4Å; L47-E66 VanDerWaalsContact CD1-CB 3.4Å; L47-E66 HydrophobicContact CD1-CG 4.08Å
48V90.6Very high90.2Very high97 Ų9758.4 Ų58.459%0.58836%0.361SS*.EExtended strand (participates in β ladder)trans-116.3115.3172.7-173.80000107.5I54V48-I54 HydrophobicContact CG2-CG1 4.43Å
49S87.9Confident90Very high43 Ų4358 Ų5830%0.30136%0.359SS..  trans-72.2163.5176.567.70000111.2A51 G52 D53S49-A51 PolarHBondContact O-N 3.21Å; S49-A51 VanDerWaalsContact O-N 3.11Å; S49-G52 PolarHBondContact O-N 3.03Å; S49-D53 PolarHBondContact N-O 3.25Å; S49-D53 WeakPolarHBondContact OG-CB 3.42Å; S49-D53 PolarHBondContact OG-N 3.4Å; S49-D53 PolarHBondContact OG-O 3.44Å
50G88.5Confident89.9Confident97 Ų9757.6 Ų57.6100%135%0.354SS*.THydrogen-bonded Turntrans-60.2-20.6174.400000114.1G52G50-G52 VanDerWaalsContact C-N 3.3Å
51A90.8Very high89.9Confident100 Ų10056 Ų5683%0.82634%0.343SS*.THydrogen-bonded Turntrans-84.7-2174.400000113.4S49 D53S49-A51 PolarHBondContact O-N 3.21Å; S49-A51 VanDerWaalsContact O-N 3.11Å; A51-D53 VanDerWaalsContact C-N 3.34Å
52G87.7Confident89.8Confident47 Ų4751.5 Ų51.549%0.48533%0.326SS..  trans81.65.5-175.900000114.8S49 G50 I54S49-G52 PolarHBondContact O-N 3.03Å; G50-G52 VanDerWaalsContact C-N 3.3Å; G52-I54 PolarHBondContact O-N 2.66Å
53D87.6Confident89.8Confident68 Ų6851 Ų5136%0.36432%0.32SS..  trans-68.3131.1172.5-16729.4000109.8S49 A51S49-D53 PolarHBondContact N-O 3.25Å; S49-D53 WeakPolarHBondContact OG-CB 3.42Å; S49-D53 PolarHBondContact OG-N 3.4Å; S49-D53 PolarHBondContact OG-O 3.44Å; A51-D53 VanDerWaalsContact C-N 3.34Å
54I89.2Confident89.9Confident80 Ų8047.5 Ų47.541%0.4130%0.298SS..EExtended strand (participates in β ladder)trans-105.2122.4-176.8-55.7175.4000108.3M46 L47 V48 G52M46-I54 HydrophobicContact CE-CG2 4.48Å; M46-I54 HydrophobicContact CG-CG2 3.69Å; M46-I54 HydrophobicContact SD-CG2 3.97Å; L47-I54 WeakPolarHBondContact O-CA 3.37Å; V48-I54 HydrophobicContact CG2-CG1 4.43Å; G52-I54 PolarHBondContact O-N 2.66Å
55K88.3Confident89.8Confident61 Ų6148.9 Ų48.927%0.26530%0.304SS..EExtended strand (participates in β ladder)trans-118.1130.5173.4-68.8178.7-177.6162.60109.9L47 E66L47-K55 PolarHBondContact N-O 3.41Å; L47-K55 PolarHBondContact O-N 3.29Å; K55-E66 HydrophobicContact CD-CG 4.39Å; K55-E66 IonicContact NZ-OE1 2.78Å; K55-E66 PolarHBondContact NZ-OE1 2.85Å; K55-E66 IonicContact NZ-OE2 3.67Å; K55-E66 PolarHBondContact NZ-OE2 3.34Å
56L90Very high89.7Confident36 Ų3650.6 Ų50.619%0.18831%0.312CS..EExtended strand (participates in β ladder)trans-102.6123.8170.4-69.8175.8000107.7M46M46-L56 HydrophobicContact CB-CD2 3.66Å; M46-L56 HydrophobicContact CE-CD2 3.69Å; M46-L56 HydrophobicContact CG-CD2 3.8Å
57T89.1Confident89.5Confident7 Ų748 Ų484%0.04330%0.3CS..EExtended strand (participates in β ladder)trans-148.2148.1176.5-175.60000111.6K45 D59 V62 L63K45-T57 PolarHBondContact N-O 2.76Å; K45-T57 PolarHBondContact O-N 2.97Å; T57-D59 PolarHBondContact OG1-N 3.15Å; T57-V62 HydrophobicContact CG2-CB 4.15Å; T57-V62 HydrophobicContact CG2-CG1 3.8Å; T57-L63 HydrophobicContact CG2-CD1 4.48Å; T57-L63 HydrophobicContact CG2-CD2 3.39Å; T57-L63 HydrophobicContact CG2-CG 3.59Å
58K90.1Very high89.4Confident16 Ų1655.3 Ų55.37%0.0733%0.333CS..  trans-108.3-15.2167.7-171160.7167.2-172.60111.6N37 G39 P40 G42 M44 T158N37-K58 HydrophobicContact CB-CG 4.16Å; N37-K58 WeakPolarHBondContact CB-O 3.27Å; N37-K58 PolarHBondContact ND2-O 3.13Å; N37-K58 VanDerWaalsContact ND2-O 3.15Å; N37-K58 WeakPolarHBondContact O-CE 3.33Å; G39-K58 WeakPolarHBondContact O-CE 3.47Å; G39-K58 PolarHBondContact O-NZ 2.87Å; P40-K58 PolarHBondContact O-NZ 3.19Å; G42-K58 VanDerWaalsContact O-CE 3.27Å; G42-K58 WeakPolarHBondContact O-CE 3.36Å; G42-K58 PolarHBondContact O-NZ 3.46Å; M44-K58 HydrophobicContact CG-CB 4.37Å; K58-T158 WeakPolarHBondContact CD-O 3.17Å; K58-T158 WeakPolarHBondContact CE-O 3.13Å; K58-T158 PolarHBondContact NZ-O 3.45Å
59D89.9Confident89.3Confident6 Ų652.9 Ų52.93%0.03232%0.316CS..  trans-71134-178.6178.440.9000112T57 N61 V62 L63 T92 K159T57-D59 PolarHBondContact OG1-N 3.15Å; D59-N61 PolarHBondContact OD1-N 3.15Å; D59-N61 VanDerWaalsContact OD2-CB 3.3Å; D59-N61 WeakPolarHBondContact OD2-CB 3.31Å; D59-N61 PolarHBondContact OD2-N 3.41Å; D59-V62 HydrophobicContact CB-CB 4.42Å; D59-V62 HydrophobicContact CB-CG2 4.2Å; D59-V62 WeakPolarHBondContact OD2-CG2 3.36Å; D59-V62 PolarHBondContact OD2-N 3.05Å; D59-L63 VanDerWaalsContact O-CG 3.3Å; D59-L63 WeakPolarHBondContact O-CG 3.32Å; D59-L63 PolarHBondContact O-N 2.83Å; D59-T92 PolarHBondContact OD1-OG1 3.27Å; D59-K159 HydrophobicContact CB-CD 4.29Å; D59-K159 VanDerWaalsContact CG-NZ 3.32Å; D59-K159 IonicContact OD1-NZ 3.61Å; D59-K159 PolarHBondContact OD1-NZ 3.12Å
60G89.7Confident89.3Confident0 Ų059.6 Ų59.60%034%0.343CS..Hα-helixtrans-65.8-38.8178.400000112.3L63 L64G60-L63 PolarHBondContact O-N 3.45Å; G60-L64 WeakPolarHBondContact O-CB 3.37Å; G60-L64 WeakPolarHBondContact O-CD1 3.42Å; G60-L64 WeakPolarHBondContact O-CG 3.28Å; G60-L64 PolarHBondContact O-N 2.86Å
61N90.8Very high89.4Confident15 Ų1557.8 Ų57.88%0.0831%0.308CS..Hα-helixtrans-67.7-47.5-177.5-172.137.7000111.3D59 L63 L64 H65 T82 D85 T92D59-N61 PolarHBondContact OD1-N 3.15Å; D59-N61 VanDerWaalsContact OD2-CB 3.3Å; D59-N61 WeakPolarHBondContact OD2-CB 3.31Å; D59-N61 PolarHBondContact OD2-N 3.41Å; N61-L63 VanDerWaalsContact C-N 3.28Å; N61-L63 PolarHBondContact O-N 2.87Å; N61-L64 PolarHBondContact O-N 3.39Å; N61-H65 PolarHBondContact O-N 2.92Å; N61-H65 PolarHBondContact OD1-CD2 2.81Å; N61-H65 VanDerWaalsContact OD1-CD2 3.24Å; N61-T82 WeakPolarHBondContact OD1-CA 3.1Å; N61-T82 PolarHBondContact OD1-OG1 3.33Å; N61-D85 HydrophobicContact CB-CB 4Å; N61-D85 WeakPolarHBondContact ND2-CB 3.28Å; N61-D85 PolarHBondContact ND2-OD2 3.42Å; N61-T92 HydrophobicContact CB-CG2 3.9Å
62V90.1Very high89.4Confident27 Ų2757.2 Ų57.216%0.16430%0.296CS..Hα-helixtrans-56.6-44175.3179.30000111.1T57 D59 H65 E66T57-V62 HydrophobicContact CG2-CB 4.15Å; T57-V62 HydrophobicContact CG2-CG1 3.8Å; D59-V62 HydrophobicContact CB-CB 4.42Å; D59-V62 HydrophobicContact CB-CG2 4.2Å; D59-V62 WeakPolarHBondContact OD2-CG2 3.36Å; D59-V62 PolarHBondContact OD2-N 3.05Å; V62-H65 PolarHBondContact O-N 3.36Å; V62-E66 HydrophobicContact CG1-CG 4.18Å; V62-E66 WeakPolarHBondContact O-CB 3.48Å; V62-E66 WeakPolarHBondContact O-CG 3.19Å; V62-E66 PolarHBondContact O-N 2.94Å
63L91.6Very high89.6Confident0 Ų055.5 Ų55.50%028%0.276CS..Hα-helixtrans-62.7-45.6178-72.8172.9000113L34 N37 K45 L47 T57 D59 G60 N61 H65 E66 M67L34-L63 HydrophobicContact CD2-CB 4.39Å; L34-L63 HydrophobicContact CD2-CD1 3.88Å; N37-L63 WeakPolarHBondContact ND2-CD1 3.46Å; K45-L63 HydrophobicContact CB-CD1 4.35Å; K45-L63 HydrophobicContact CB-CD2 3.89Å; K45-L63 HydrophobicContact CD-CD1 3.8Å; K45-L63 HydrophobicContact CD-CD2 4.19Å; K45-L63 HydrophobicContact CG-CD1 4.24Å; L47-L63 HydrophobicContact CD1-CD2 3.62Å; L47-L63 HydrophobicContact CD2-CD2 3.95Å; L47-L63 HydrophobicContact CG-CD2 3.8Å; T57-L63 HydrophobicContact CG2-CD1 4.48Å; T57-L63 HydrophobicContact CG2-CD2 3.39Å; T57-L63 HydrophobicContact CG2-CG 3.59Å; D59-L63 VanDerWaalsContact O-CG 3.3Å; D59-L63 WeakPolarHBondContact O-CG 3.32Å; D59-L63 PolarHBondContact O-N 2.83Å; G60-L63 PolarHBondContact O-N 3.45Å; N61-L63 VanDerWaalsContact C-N 3.28Å; N61-L63 PolarHBondContact O-N 2.87Å; L63-H65 VanDerWaalsContact C-N 3.27Å; L63-H65 PolarHBondContact O-N 3.24Å; L63-E66 PolarHBondContact O-N 3.18Å; L63-M67 VanDerWaalsContact O-CB 3.25Å; L63-M67 WeakPolarHBondContact O-CB 3.47Å; L63-M67 WeakPolarHBondContact O-CG 3.47Å; L63-M67 PolarHBondContact O-N 3.42Å
64L91.5Very high89.9Confident9 Ų952.7 Ų52.75%0.04726%0.262CS..Hα-helixtrans-67.5-29.5-177.7-69.4168.4000112.5L30 L34 G60 N61 I69 A78 A81 V96L30-L64 HydrophobicContact CD1-CD2 3.83Å; L30-L64 HydrophobicContact CD2-CD2 4.07Å; L30-L64 HydrophobicContact CG-CD2 4.31Å; L34-L64 HydrophobicContact CD1-CD1 4.2Å; L34-L64 HydrophobicContact CD1-CD2 4.15Å; L34-L64 HydrophobicContact CD1-CG 4.31Å; G60-L64 WeakPolarHBondContact O-CB 3.37Å; G60-L64 WeakPolarHBondContact O-CD1 3.42Å; G60-L64 WeakPolarHBondContact O-CG 3.28Å; G60-L64 PolarHBondContact O-N 2.86Å; N61-L64 PolarHBondContact O-N 3.39Å; L64-I69 HydrophobicContact CD2-CD1 4.05Å; L64-A78 HydrophobicContact CB-CB 4.18Å; L64-A78 HydrophobicContact CD2-CB 3.97Å; L64-A78 HydrophobicContact CG-CB 4.46Å; L64-A81 HydrophobicContact CD1-CB 3.46Å; L64-A81 VanDerWaalsContact CD1-CB 3.46Å; L64-V96 HydrophobicContact CD1-CG2 4.05Å
65H89.5Confident90Very high114 Ų11450.6 Ų50.653%0.52826%0.255SS..Hα-helixtrans-76.4-39.5174.2-91.4-59.9000113.9N61 V62 L63 T82N61-H65 PolarHBondContact O-N 2.92Å; N61-H65 PolarHBondContact OD1-CD2 2.81Å; N61-H65 VanDerWaalsContact OD1-CD2 3.24Å; V62-H65 PolarHBondContact O-N 3.36Å; L63-H65 VanDerWaalsContact C-N 3.27Å; L63-H65 PolarHBondContact O-N 3.24Å; H65-T82 WeakPolarHBondContact NE2-CG2 3.46Å; H65-T82 PolarHBondContact NE2-OG1 3.16Å
66E88.3Confident90.3Very high83 Ų8351.4 Ų51.439%0.38826%0.261SS..Hα-helixtrans-81.8-25.3-177-64-73.1153.700112.2L47 K55 V62 L63L47-E66 HydrophobicContact CD1-CB 3.4Å; L47-E66 VanDerWaalsContact CD1-CB 3.4Å; L47-E66 HydrophobicContact CD1-CG 4.08Å; K55-E66 HydrophobicContact CD-CG 4.39Å; K55-E66 IonicContact NZ-OE1 2.78Å; K55-E66 PolarHBondContact NZ-OE1 2.85Å; K55-E66 IonicContact NZ-OE2 3.67Å; K55-E66 PolarHBondContact NZ-OE2 3.34Å; V62-E66 HydrophobicContact CG1-CG 4.18Å; V62-E66 WeakPolarHBondContact O-CB 3.48Å; V62-E66 WeakPolarHBondContact O-CG 3.19Å; V62-E66 PolarHBondContact O-N 2.94Å; L63-E66 PolarHBondContact O-N 3.18Å
67M87.4Confident90.4Very high68 Ų6849.8 Ų49.834%0.33525%0.253SS..SBendtrans-74.4130.3175.7-74.1179.267.900111.7V33 L63 I69V33-M67 HydrophobicContact CG1-SD 4.47Å; L63-M67 VanDerWaalsContact O-CB 3.25Å; L63-M67 WeakPolarHBondContact O-CB 3.47Å; L63-M67 WeakPolarHBondContact O-CG 3.47Å; L63-M67 PolarHBondContact O-N 3.42Å; M67-I69 HydrophobicContact CB-CG1 4.26Å; M67-I69 PolarHBondContact O-N 3.07Å
68Q88.3Confident90.7Very high187 Ų18749.8 Ų49.887%0.87425%0.254SS*.  trans-79.286.6172.9-65.8-178.83.400110.5Q70Q68-Q70 PolarHBondContact O-N 3.19Å
69I89.6Confident90.8Very high46 Ų4656.1 Ų56.124%0.23628%0.281CS..  trans-78.7114.5-177.7-57.3172.1000110.5L64 M67 A74 A78L64-I69 HydrophobicContact CD2-CD1 4.05Å; M67-I69 HydrophobicContact CB-CG1 4.26Å; M67-I69 PolarHBondContact O-N 3.07Å; I69-A74 HydrophobicContact CG2-CB 3.52Å; I69-A78 HydrophobicContact CD1-CB 3.51Å
70Q87.9Confident90.9Very high185 Ų18556.8 Ų56.886%0.86429%0.286SS*.  trans-88.7-32.2178.3-62.9-176.4-2.400113.3Q68Q68-Q70 PolarHBondContact O-N 3.19Å
71H89.6Confident91Very high59 Ų5956.8 Ų56.827%0.27329%0.286SS..SBendtrans-74125.7-175.4-164.8-74.6000110.8V22 A26 T73 A74 S75V22-H71 WeakPolarHBondContact CG1-NE2 3.28Å; A26-H71 HydrophobicContact CB-CB 4.48Å; A26-H71 WeakPolarHBondContact CB-CE1 3.49Å; A26-H71 VanDerWaalsContact CB-ND1 3.3Å; A26-H71 WeakPolarHBondContact CB-ND1 3.46Å; H71-T73 VanDerWaalsContact C-N 3.34Å; H71-T73 PolarHBondContact CE1-OG1 3.26Å; H71-T73 WeakPolarHBondContact ND1-CB 3.3Å; H71-T73 PolarHBondContact ND1-N 3.02Å; H71-T73 PolarHBondContact ND1-OG1 3.44Å; H71-T73 PolarHBondContact O-N 3.24Å; H71-A74 HydrophobicContact CB-CB 4.07Å; H71-A74 PolarHBondContact O-N 2.99Å; H71-S75 PolarHBondContact O-N 3.34Å
72P91.1Very high91Very high88 Ų8857.1 Ų57.157%0.57129%0.288SS*.Hα-helixtrans-57-43.8-175.6-26.534.3000113.6S75 L76P72-S75 WeakPolarHBondContact O-CB 3.27Å; P72-S75 PolarHBondContact O-N 3.48Å; P72-L76 PolarHBondContact O-N 3.16Å
73T92.3Very high91.1Very high11 Ų1158 Ų587%0.06730%0.298CS..Hα-helixtrans-64.1-43179.5-40.40000112.1N23 H71 S75 L76 I77 I515N23-T73 HydrophobicContact CB-CG2 4.06Å; N23-T73 PolarHBondContact OD1-OG1 3.2Å; H71-T73 VanDerWaalsContact C-N 3.34Å; H71-T73 PolarHBondContact CE1-OG1 3.26Å; H71-T73 WeakPolarHBondContact ND1-CB 3.3Å; H71-T73 PolarHBondContact ND1-N 3.02Å; H71-T73 PolarHBondContact ND1-OG1 3.44Å; H71-T73 PolarHBondContact O-N 3.24Å; T73-S75 VanDerWaalsContact C-N 3.31Å; T73-S75 PolarHBondContact O-N 3.31Å; T73-L76 PolarHBondContact O-N 2.93Å; T73-I77 HydrophobicContact CG2-CD1 4.42Å; T73-I77 WeakPolarHBondContact O-CG1 3.3Å; T73-I77 PolarHBondContact O-N 2.98Å; T73-I515 HydrophobicContact CG2-CD1 3.88Å; T73-I515 HydrophobicContact CG2-CG1 4.22Å; T73-I515 HydrophobicContact CG2-CG2 3.98Å
74A93.1Very high91.1Very high8 Ų858 Ų587%0.06630%0.298CS..Hα-helixtrans-66.2-36.4175.500000111.2L30 I69 H71 I77 A78L30-A74 HydrophobicContact CD2-CB 4.28Å; I69-A74 HydrophobicContact CG2-CB 3.52Å; H71-A74 HydrophobicContact CB-CB 4.07Å; H71-A74 PolarHBondContact O-N 2.99Å; A74-I77 PolarHBondContact O-N 3.26Å; A74-A78 VanDerWaalsContact O-CB 3.26Å; A74-A78 WeakPolarHBondContact O-CB 3.44Å; A74-A78 PolarHBondContact O-N 3.48Å
75S93.1Very high91.1Very high37 Ų3758.1 Ų58.126%0.25930%0.299SS..Hα-helixtrans-65-39.1174.3-176.60000111.9H71 P72 T73 A78 K79H71-S75 PolarHBondContact O-N 3.34Å; P72-S75 WeakPolarHBondContact O-CB 3.27Å; P72-S75 PolarHBondContact O-N 3.48Å; T73-S75 VanDerWaalsContact C-N 3.31Å; T73-S75 PolarHBondContact O-N 3.31Å; S75-A78 PolarHBondContact O-N 3.34Å; S75-K79 WeakPolarHBondContact O-CG 3.38Å; S75-K79 PolarHBondContact O-N 2.97Å
76L92.6Very high91.1Very high77 Ų7757.6 Ų57.640%0.40330%0.3SS..Hα-helixtrans-65.1-45.2175.6-173.9146.4000111.5P72 T73 A78 K79 V80 I511 I515P72-L76 PolarHBondContact O-N 3.16Å; T73-L76 PolarHBondContact O-N 2.93Å; L76-A78 VanDerWaalsContact C-N 3.33Å; L76-A78 PolarHBondContact O-N 3.31Å; L76-K79 PolarHBondContact O-N 3.37Å; L76-V80 VanDerWaalsContact O-CG2 3.29Å; L76-V80 WeakPolarHBondContact O-CG2 3.46Å; L76-V80 PolarHBondContact O-N 3.3Å; L76-I511 HydrophobicContact CD2-CD1 3.99Å; L76-I511 HydrophobicContact CD2-CG2 3.63Å; L76-I515 HydrophobicContact CD2-CD1 4.14Å; L76-I515 HydrophobicContact CD2-CG1 4.29Å
77I94.1Very high91.1Very high2 Ų258.8 Ų58.81%0.0131%0.308CS..Hα-helixtrans-62.1-42.1174.8-65.2168.6000110.8A27 L30 T73 A74 K79 V80 A81 V96 I99 I511 I515A27-I77 HydrophobicContact CB-CD1 3.74Å; L30-I77 HydrophobicContact CD2-CB 4.14Å; L30-I77 HydrophobicContact CD2-CG2 3.84Å; T73-I77 HydrophobicContact CG2-CD1 4.42Å; T73-I77 WeakPolarHBondContact O-CG1 3.3Å; T73-I77 PolarHBondContact O-N 2.98Å; A74-I77 PolarHBondContact O-N 3.26Å; I77-K79 PolarHBondContact O-N 2.99Å; I77-V80 WeakPolarHBondContact O-CB 3.46Å; I77-V80 PolarHBondContact O-N 2.95Å; I77-A81 PolarHBondContact O-N 3.32Å; I77-V96 HydrophobicContact CG2-CB 4.33Å; I77-V96 HydrophobicContact CG2-CG1 3.95Å; I77-V96 HydrophobicContact CG2-CG2 3.92Å; I77-I99 HydrophobicContact CD1-CG2 3.93Å; I77-I99 HydrophobicContact CG1-CG2 4.09Å; I77-I99 HydrophobicContact CG2-CD1 4.22Å; I77-I511 HydrophobicContact CG1-CG2 4.49Å; I77-I515 HydrophobicContact CD1-CD1 4.13Å; I77-I515 HydrophobicContact CG1-CD1 3.93Å
78A94.1Very high91.1Very high8 Ų855.7 Ų55.77%0.06629%0.293CS..Hα-helixtrans-60.5-44.9178.300000112.4L64 I69 A74 S75 L76 V80 A81 T82L64-A78 HydrophobicContact CB-CB 4.18Å; L64-A78 HydrophobicContact CD2-CB 3.97Å; L64-A78 HydrophobicContact CG-CB 4.46Å; I69-A78 HydrophobicContact CD1-CB 3.51Å; A74-A78 VanDerWaalsContact O-CB 3.26Å; A74-A78 WeakPolarHBondContact O-CB 3.44Å; A74-A78 PolarHBondContact O-N 3.48Å; S75-A78 PolarHBondContact O-N 3.34Å; L76-A78 VanDerWaalsContact C-N 3.33Å; L76-A78 PolarHBondContact O-N 3.31Å; A78-V80 PolarHBondContact O-N 3.06Å; A78-A81 WeakPolarHBondContact O-CB 3.5Å; A78-A81 PolarHBondContact O-N 3.43Å; A78-A81 VanDerWaalsContact O-N 3.15Å; A78-T82 PolarHBondContact O-N 3.48Å; A78-T82 PolarHBondContact O-OG1 3.25Å
79K91.9Very high91Very high148 Ų14846.8 Ų46.864%0.64325%0.251SS*.Hα-helixtrans-60.7-34.1176.9-74174.8-178-178.20112.9S75 L76 I77 T82 A83S75-K79 WeakPolarHBondContact O-CG 3.38Å; S75-K79 PolarHBondContact O-N 2.97Å; L76-K79 PolarHBondContact O-N 3.37Å; I77-K79 PolarHBondContact O-N 2.99Å; K79-T82 PolarHBondContact O-N 3.15Å; K79-A83 PolarHBondContact O-N 3.48Å
80V91.6Very high91Very high20 Ų2046.2 Ų46.212%0.12125%0.249CC..Hα-helixtrans-71.2-40.5177.3174.30000110.5L76 I77 A78 T82 A83 Q84 I511L76-V80 VanDerWaalsContact O-CG2 3.29Å; L76-V80 WeakPolarHBondContact O-CG2 3.46Å; L76-V80 PolarHBondContact O-N 3.3Å; I77-V80 WeakPolarHBondContact O-CB 3.46Å; I77-V80 PolarHBondContact O-N 2.95Å; A78-V80 PolarHBondContact O-N 3.06Å; V80-T82 VanDerWaalsContact C-N 3.32Å; V80-A83 PolarHBondContact O-N 2.97Å; V80-Q84 PolarHBondContact O-N 3.48Å; V80-I511 HydrophobicContact CB-CG1 4.27Å; V80-I511 HydrophobicContact CG1-CG1 3.94Å; V80-I511 HydrophobicContact CG2-CD1 3.36Å; V80-I511 HydrophobicContact CG2-CG1 3.47Å; V80-I511 VanDerWaalsContact CG2-CG1 3.47Å; V80-I511 HydrophobicContact CG2-CG2 4.41Å
81A91.9Very high91.1Very high0 Ų037.6 Ų37.60%021%0.21CC..Hα-helixtrans-62.9-39.9173.400000111.5L64 I77 A78 Q84 D85 V96L64-A81 HydrophobicContact CD1-CB 3.46Å; L64-A81 VanDerWaalsContact CD1-CB 3.46Å; I77-A81 PolarHBondContact O-N 3.32Å; A78-A81 WeakPolarHBondContact O-CB 3.5Å; A78-A81 PolarHBondContact O-N 3.43Å; A78-A81 VanDerWaalsContact O-N 3.15Å; A81-Q84 WeakPolarHBondContact O-CB 3.49Å; A81-Q84 PolarHBondContact O-N 2.76Å; A81-D85 PolarHBondContact O-N 2.98Å; A81-V96 HydrophobicContact CB-CG2 3.98Å
82T91.7Very high91.2Very high23 Ų2334.9 Ų34.914%0.14120%0.197CC..Hα-helixtrans-61.2-44.4172-56.60000111.9N61 H65 A78 K79 V80 Q84 D85 D86N61-T82 WeakPolarHBondContact OD1-CA 3.1Å; N61-T82 PolarHBondContact OD1-OG1 3.33Å; H65-T82 WeakPolarHBondContact NE2-CG2 3.46Å; H65-T82 PolarHBondContact NE2-OG1 3.16Å; A78-T82 PolarHBondContact O-N 3.48Å; A78-T82 PolarHBondContact O-OG1 3.25Å; K79-T82 PolarHBondContact O-N 3.15Å; V80-T82 VanDerWaalsContact C-N 3.32Å; T82-Q84 VanDerWaalsContact C-N 3.26Å; T82-Q84 PolarHBondContact O-N 3.44Å; T82-D85 WeakPolarHBondContact O-CB 3.31Å; T82-D85 PolarHBondContact O-N 3.25Å; T82-D85 VanDerWaalsContact O-N 3.08Å; T82-D86 PolarHBondContact O-N 3.23Å
83A92.4Very high91.4Very high44 Ų4431.3 Ų31.336%0.36417%0.174SC..Hα-helixtrans-63-3317700000112.7K79 V80 I87K79-A83 PolarHBondContact O-N 3.48Å; V80-A83 PolarHBondContact O-N 2.97Å; A83-I87 WeakPolarHBondContact O-CG1 3.48Å; A83-I87 PolarHBondContact O-N 2.99Å
84Q91.4Very high91.5Very high1 Ų131.8 Ų31.81%0.00518%0.177CC..Hα-helixtrans-63.7-46.3171.2-176.871.430.600110.9V80 A81 T82 D86 I87 T88 V500V80-Q84 PolarHBondContact O-N 3.48Å; A81-Q84 WeakPolarHBondContact O-CB 3.49Å; A81-Q84 PolarHBondContact O-N 2.76Å; T82-Q84 VanDerWaalsContact C-N 3.26Å; T82-Q84 PolarHBondContact O-N 3.44Å; Q84-D86 PolarHBondContact O-N 2.99Å; Q84-I87 PolarHBondContact O-N 3.37Å; Q84-T88 PolarHBondContact NE2-OG1 3.21Å; Q84-T88 PolarHBondContact O-N 2.78Å; Q84-T88 PolarHBondContact O-OG1 3.47Å; Q84-V500 PolarHBondContact NE2-O 2.92Å
85D91.6Very high91.6Very high11 Ų1131.4 Ų31.46%0.05918%0.175CC..Hα-helixtrans-61.9-42.3178.3-165.871.6000112.5N61 A81 T82 I87 G89 T92 R396N61-D85 HydrophobicContact CB-CB 4Å; N61-D85 WeakPolarHBondContact ND2-CB 3.28Å; N61-D85 PolarHBondContact ND2-OD2 3.42Å; A81-D85 PolarHBondContact O-N 2.98Å; T82-D85 WeakPolarHBondContact O-CB 3.31Å; T82-D85 PolarHBondContact O-N 3.25Å; T82-D85 VanDerWaalsContact O-N 3.08Å; D85-I87 VanDerWaalsContact C-N 3.27Å; D85-I87 PolarHBondContact O-N 3.47Å; D85-G89 WeakPolarHBondContact O-CA 3.46Å; D85-G89 PolarHBondContact O-N 2.67Å; D85-T92 HydrophobicContact CB-CG2 3.63Å; D85-R396 PolarHBondContact O-NH1 2.9Å; D85-R396 IonicContact OD2-NH1 2.91Å; D85-R396 PolarHBondContact OD2-NH1 2.85Å; D85-R396 VanDerWaalsContact OD2-NH1 3.1Å
86D89.4Confident91.7Very high104 Ų10429.7 Ų29.756%0.55616%0.163SC*.Hα-helixtrans-61.8-36.5-178.8-75-26.7000112.3T82 Q84T82-D86 PolarHBondContact O-N 3.23Å; Q84-D86 PolarHBondContact O-N 2.99Å
87I88.2Confident91.9Very high108 Ų10826 Ų2655%0.55414%0.143SC*.Hα-helixtrans-85.2-54-179.1-62.5173000111.2A83 Q84 D85A83-I87 WeakPolarHBondContact O-CG1 3.48Å; A83-I87 PolarHBondContact O-N 2.99Å; Q84-I87 PolarHBondContact O-N 3.37Å; D85-I87 VanDerWaalsContact C-N 3.27Å; D85-I87 PolarHBondContact O-N 3.47Å
88T88Confident92Very high3 Ų326 Ų262%0.01814%0.143CC..Hα-helixtrans-107.7-22.9-169.468.20000113.6Q84 D90 N400 V500 Q503Q84-T88 PolarHBondContact NE2-OG1 3.21Å; Q84-T88 PolarHBondContact O-N 2.78Å; Q84-T88 PolarHBondContact O-OG1 3.47Å; T88-D90 PolarHBondContact O-N 3.09Å; T88-D90 PolarHBondContact OG1-O 3.09Å; T88-N400 PolarHBondContact O-ND2 3.4Å; T88-V500 HydrophobicContact CG2-CG2 4.36Å; T88-Q503 HydrophobicContact CG2-CB 4.31Å
89G85.9Confident92.1Very high0 Ų025.6 Ų25.60%014%0.14CC..SBendtrans72.17179.700000116.5D85 R396D85-G89 WeakPolarHBondContact O-CA 3.46Å; D85-G89 PolarHBondContact O-N 2.67Å; G89-R396 VanDerWaalsContact CA-CD 3.42Å
90D88.6Confident92.3Very high33 Ų3318.6 Ų18.618%0.17611%0.11CC..SBendtrans-154.3168176.5-156.2-7.9000109.4T88 S155 V500T88-D90 PolarHBondContact O-N 3.09Å; T88-D90 PolarHBondContact OG1-O 3.09Å; D90-S155 PolarHBondContact OD2-OG 2.45Å; D90-V500 HydrophobicContact CB-CG2 4.38Å
91G90.1Very high92.5Very high5 Ų518.2 Ų18.25%0.05211%0.107CC..  trans85.29.7178.700000114.5S94 N95G91-S94 PolarHBondContact O-N 2.92Å; G91-N95 WeakPolarHBondContact O-CB 3.3Å; G91-N95 PolarHBondContact O-N 3.12Å
92T92.8Very high92.7Very high1 Ų118.3 Ų18.31%0.00611%0.107CC..Hα-helixtrans-62.2-48.2-177.757.30000111.9D59 N61 D85 N95 V96D59-T92 PolarHBondContact OD1-OG1 3.27Å; N61-T92 HydrophobicContact CB-CG2 3.9Å; D85-T92 HydrophobicContact CB-CG2 3.63Å; T92-N95 PolarHBondContact O-N 3.24Å; T92-V96 PolarHBondContact O-N 3.12Å
93T94.1Very high92.9Very high13 Ų1317.2 Ų17.28%0.0810%0.1CC..Hα-helixtrans-62.5-48.4175.7-50.60000111.1L34 N37 L38 N95 V96 L97L34-T93 HydrophobicContact CB-CG2 4.23Å; L34-T93 WeakPolarHBondContact O-CG2 3.45Å; N37-T93 HydrophobicContact CB-CG2 4.42Å; L38-T93 HydrophobicContact CB-CG2 4.22Å; L38-T93 HydrophobicContact CD1-CG2 4.18Å; T93-N95 VanDerWaalsContact C-N 3.27Å; T93-N95 PolarHBondContact O-N 3.43Å; T93-V96 PolarHBondContact O-N 3.29Å; T93-L97 HydrophobicContact CG2-CD1 4.16Å; T93-L97 HydrophobicContact CG2-CG 4.47Å; T93-L97 WeakPolarHBondContact O-CG 3.49Å; T93-L97 PolarHBondContact O-N 3.02Å; T93-L97 VanDerWaalsContact O-N 3.08Å
94S94.7Very high93.1Very high21 Ų2118.8 Ų18.815%0.14710%0.099CC..Hα-helixtrans-59.2-38.4-179.2-54.90000112.2L38 G91 L97 I98 L504L38-S94 WeakPolarHBondContact CD1-OG 3.26Å; G91-S94 PolarHBondContact O-N 2.92Å; S94-L97 PolarHBondContact O-N 3.25Å; S94-I98 WeakPolarHBondContact O-CG1 3.31Å; S94-I98 PolarHBondContact O-N 3.41Å; S94-L504 VanDerWaalsContact CB-CD1 3.5Å
95N94.7Very high93.3Very high1 Ų119.9 Ų19.91%0.00510%0.104CC..Hα-helixtrans-60.6-47.1177.6-165.9-8.5000111.6G91 T92 T93 L97 I98 I99 C508G91-N95 WeakPolarHBondContact O-CB 3.3Å; G91-N95 PolarHBondContact O-N 3.12Å; T92-N95 PolarHBondContact O-N 3.24Å; T93-N95 VanDerWaalsContact C-N 3.27Å; T93-N95 PolarHBondContact O-N 3.43Å; N95-L97 PolarHBondContact O-N 3.33Å; N95-I98 PolarHBondContact O-N 3.4Å; N95-I99 WeakPolarHBondContact O-CD1 3.29Å; N95-I99 VanDerWaalsContact O-CG1 3.27Å; N95-I99 WeakPolarHBondContact O-CG1 3.39Å; N95-I99 PolarHBondContact O-N 2.89Å; N95-I99 WeakPolarHBondContact OD1-CD1 3.44Å; N95-C508 PolarHBondContact O-SG 3.46Å; N95-C508 PolarHBondContact OD1-SG 3.24Å
96V95.8Very high93.4Very high1 Ų119.4 Ų19.41%0.00610%0.101CC..Hα-helixtrans-66.5-38.7177.9-177.60000112.1L30 L34 L64 I77 A81 T92 T93 I99 G100L30-V96 HydrophobicContact CB-CG1 4.32Å; L30-V96 HydrophobicContact CD2-CG1 3.8Å; L30-V96 HydrophobicContact CG-CG1 3.84Å; L34-V96 HydrophobicContact CD1-CB 3.72Å; L34-V96 HydrophobicContact CD1-CG1 3.75Å; L34-V96 HydrophobicContact CD1-CG2 3.73Å; L64-V96 HydrophobicContact CD1-CG2 4.05Å; I77-V96 HydrophobicContact CG2-CB 4.33Å; I77-V96 HydrophobicContact CG2-CG1 3.95Å; I77-V96 HydrophobicContact CG2-CG2 3.92Å; A81-V96 HydrophobicContact CB-CG2 3.98Å; T92-V96 PolarHBondContact O-N 3.12Å; T93-V96 PolarHBondContact O-N 3.29Å; V96-I99 PolarHBondContact O-N 2.87Å; V96-G100 PolarHBondContact O-N 3.46Å
97L96.2Very high93.7Very high0 Ų016.5 Ų16.50%09%0.086CC..Hα-helixtrans-64.5-43.9179.2-65.2178.2000112.3Q31 K35 L38 T93 S94 N95 G100 E101 V446 V450Q31-L97 HydrophobicContact CB-CD2 4.35Å; Q31-L97 HydrophobicContact CG-CD2 3.6Å; Q31-L97 WeakPolarHBondContact O-CD2 3.23Å; K35-L97 HydrophobicContact CB-CD2 3.92Å; L38-L97 HydrophobicContact CB-CD1 3.98Å; L38-L97 HydrophobicContact CD1-CD1 4.18Å; L38-L97 HydrophobicContact CD2-CD1 3.69Å; L38-L97 HydrophobicContact CG-CD1 4.15Å; T93-L97 HydrophobicContact CG2-CD1 4.16Å; T93-L97 HydrophobicContact CG2-CG 4.47Å; T93-L97 WeakPolarHBondContact O-CG 3.49Å; T93-L97 PolarHBondContact O-N 3.02Å; T93-L97 VanDerWaalsContact O-N 3.08Å; S94-L97 PolarHBondContact O-N 3.25Å; N95-L97 PolarHBondContact O-N 3.33Å; L97-G100 PolarHBondContact O-N 3.5Å; L97-E101 WeakPolarHBondContact O-CB 3.43Å; L97-E101 PolarHBondContact O-N 3.2Å; L97-V446 HydrophobicContact CB-CG1 4.39Å; L97-V450 HydrophobicContact CD1-CG1 4.38Å
98I96.4Very high94Very high1 Ų115.5 Ų15.51%0.0058%0.081CC..Hα-helixtrans-68.5-41.1178.8-71.7170.9000110.8S94 N95 G100 E101 L102 L444 V446 I447 L504 C508S94-I98 WeakPolarHBondContact O-CG1 3.31Å; S94-I98 PolarHBondContact O-N 3.41Å; N95-I98 PolarHBondContact O-N 3.4Å; I98-G100 PolarHBondContact O-N 3.43Å; I98-E101 PolarHBondContact O-N 3.41Å; I98-L102 HydrophobicContact CG2-CD1 3.73Å; I98-L102 HydrophobicContact CG2-CG 4.07Å; I98-L102 VanDerWaalsContact O-CB 3.28Å; I98-L102 WeakPolarHBondContact O-CB 3.23Å; I98-L102 VanDerWaalsContact O-CG 3.24Å; I98-L102 WeakPolarHBondContact O-CG 3.37Å; I98-L102 PolarHBondContact O-N 3.04Å; I98-L444 HydrophobicContact CD1-CD2 4.23Å; I98-V446 HydrophobicContact CG1-CG1 3.85Å; I98-I447 HydrophobicContact CD1-CD1 3.56Å; I98-I447 HydrophobicContact CD1-CG1 4.2Å; I98-I447 HydrophobicContact CG1-CD1 4.23Å; I98-I447 HydrophobicContact CG1-CG1 4.35Å; I98-L504 HydrophobicContact CD1-CD1 4.37Å; I98-L504 HydrophobicContact CD1-CD2 3.33Å; I98-L504 HydrophobicContact CD1-CG 4.36Å; I98-C508 HydrophobicContact CG2-CB 3.82Å
99I96.3Very high94.2Very high0 Ų017 Ų170%09%0.087CC..Hα-helixtrans-60.3-46.5175.5-67.9165.1000110.9I77 N95 V96 E101 L102 L103 C508 I511I77-I99 HydrophobicContact CD1-CG2 3.93Å; I77-I99 HydrophobicContact CG1-CG2 4.09Å; I77-I99 HydrophobicContact CG2-CD1 4.22Å; N95-I99 WeakPolarHBondContact O-CD1 3.29Å; N95-I99 VanDerWaalsContact O-CG1 3.27Å; N95-I99 WeakPolarHBondContact O-CG1 3.39Å; N95-I99 PolarHBondContact O-N 2.89Å; N95-I99 WeakPolarHBondContact OD1-CD1 3.44Å; V96-I99 PolarHBondContact O-N 2.87Å; I99-E101 PolarHBondContact O-N 3.36Å; I99-L102 PolarHBondContact O-N 3.03Å; I99-L103 HydrophobicContact CG2-CD1 4.06Å; I99-L103 WeakPolarHBondContact O-CB 3.15Å; I99-L103 WeakPolarHBondContact O-CG 3.38Å; I99-L103 PolarHBondContact O-N 2.9Å; I99-C508 HydrophobicContact CG1-CB 3.96Å; I99-I511 HydrophobicContact CD1-CB 4.33Å; I99-I511 HydrophobicContact CD1-CG2 4.13Å
100G96Very high94.6Very high1 Ų117.5 Ų17.51%0.019%0.09CC..Hα-helixtrans-60.3-44.917800000112.4V96 L97 I98 K104V96-G100 PolarHBondContact O-N 3.46Å; L97-G100 PolarHBondContact O-N 3.5Å; I98-G100 PolarHBondContact O-N 3.43Å; G100-K104 WeakPolarHBondContact O-CB 3.31Å; G100-K104 PolarHBondContact O-N 2.94Å
101E96.6Very high94.7Very high12 Ų1220.2 Ų20.26%0.05611%0.112CC..Hα-helixtrans-71.5-38.6179.3-161.767.8-153.900112.3Q31 L97 I98 I99 L103 K104 Q105 A443 V446Q31-E101 PolarHBondContact NE2-OE2 3.03Å; L97-E101 WeakPolarHBondContact O-CB 3.43Å; L97-E101 PolarHBondContact O-N 3.2Å; I98-E101 PolarHBondContact O-N 3.41Å; I99-E101 PolarHBondContact O-N 3.36Å; E101-L103 VanDerWaalsContact C-N 3.34Å; E101-L103 PolarHBondContact O-N 3.22Å; E101-K104 CarbonylContact O-C 3.55Å; E101-K104 WeakPolarHBondContact O-CB 3.42Å; E101-K104 PolarHBondContact O-N 3.32Å; E101-K104 VanDerWaalsContact O-N 3.11Å; E101-K104 WeakPolarHBondContact OE1-CE 3.43Å; E101-K104 IonicContact OE1-NZ 2.73Å; E101-K104 PolarHBondContact OE1-NZ 2.83Å; E101-K104 IonicContact OE2-NZ 3.34Å; E101-K104 PolarHBondContact OE2-NZ 3.09Å; E101-K104 VanDerWaalsContact OE2-NZ 3.13Å; E101-Q105 HydrophobicContact CG-CG 4.34Å; E101-Q105 WeakPolarHBondContact O-CG 3.48Å; E101-Q105 PolarHBondContact O-N 3.3Å; E101-Q105 PolarHBondContact OE1-NE2 3.3Å; E101-A443 HydrophobicContact CB-CB 4.24Å; E101-A443 HydrophobicContact CG-CB 4.12Å; E101-V446 HydrophobicContact CB-CB 3.95Å; E101-V446 HydrophobicContact CB-CG1 4.21Å; E101-V446 HydrophobicContact CB-CG2 4.03Å; E101-V446 HydrophobicContact CG-CB 3.96Å; E101-V446 HydrophobicContact CG-CG2 4.17Å
102L96.6Very high94.8Very high1 Ų126.9 Ų26.91%0.00514%0.141CC..Hα-helixtrans-57.5-47.3174.7-80.7171.1000111.4I98 I99 K104 Q105 A106 F123 F440 A443 C508 A512I98-L102 HydrophobicContact CG2-CD1 3.73Å; I98-L102 HydrophobicContact CG2-CG 4.07Å; I98-L102 VanDerWaalsContact O-CB 3.28Å; I98-L102 WeakPolarHBondContact O-CB 3.23Å; I98-L102 VanDerWaalsContact O-CG 3.24Å; I98-L102 WeakPolarHBondContact O-CG 3.37Å; I98-L102 PolarHBondContact O-N 3.04Å; I99-L102 PolarHBondContact O-N 3.03Å; L102-K104 VanDerWaalsContact C-N 3.3Å; L102-K104 PolarHBondContact O-N 3.16Å; L102-Q105 PolarHBondContact O-N 3.45Å; L102-A106 WeakPolarHBondContact O-CB 3.35Å; L102-A106 PolarHBondContact O-N 3.02Å; L102-F123 HydrophobicContact CB-CE2 4.37Å; L102-F123 HydrophobicContact CB-CZ 4.33Å; L102-F123 HydrophobicContact CD2-CE1 4.04Å; L102-F123 HydrophobicContact CD2-CE2 4.32Å; L102-F123 HydrophobicContact CD2-CZ 3.9Å; L102-F440 HydrophobicContact CD1-CD2 4.41Å; L102-F440 HydrophobicContact CD1-CE2 4.11Å; L102-F440 HydrophobicContact CD2-CB 4.24Å; L102-F440 HydrophobicContact CD2-CD2 3.39Å; L102-F440 HydrophobicContact CD2-CE2 3.9Å; L102-F440 HydrophobicContact CD2-CG 3.95Å; L102-A443 HydrophobicContact CB-CB 4.39Å; L102-A443 HydrophobicContact CD2-CB 3.56Å; L102-A443 HydrophobicContact CG-CB 3.82Å; L102-C508 HydrophobicContact CD1-CB 4.19Å; L102-A512 HydrophobicContact CB-CB 4.1Å; L102-A512 HydrophobicContact CD1-CB 4.02Å
103L95.9Very high94.7Very high0 Ų029.7 Ų29.70%017%0.171CC..Hα-helixtrans-64.4-37176.6-72.1177.1000111.7I24 A27 I99 E101 D107 A512 I515 L516I24-L103 HydrophobicContact CG1-CB 4.24Å; A27-L103 HydrophobicContact CB-CD1 3.49Å; A27-L103 VanDerWaalsContact CB-CD1 3.49Å; I99-L103 HydrophobicContact CG2-CD1 4.06Å; I99-L103 WeakPolarHBondContact O-CB 3.15Å; I99-L103 WeakPolarHBondContact O-CG 3.38Å; I99-L103 PolarHBondContact O-N 2.9Å; E101-L103 VanDerWaalsContact C-N 3.34Å; E101-L103 PolarHBondContact O-N 3.22Å; L103-D107 PolarHBondContact O-N 2.91Å; L103-A512 HydrophobicContact CD2-CB 4.44Å; L103-I515 HydrophobicContact CD1-CB 4.47Å; L103-I515 HydrophobicContact CD1-CD1 4.22Å; L103-I515 HydrophobicContact CD1-CG2 3.96Å; L103-I515 HydrophobicContact CD2-CB 4.27Å; L103-I515 HydrophobicContact CD2-CG2 4.04Å; L103-L516 HydrophobicContact CD2-CD2 3.62Å; L103-L516 HydrophobicContact CD2-CG 3.66Å
104K95.8Very high94.6Very high77 Ų7730 Ų3034%0.33517%0.171SC..Hα-helixtrans-67.2-40.7175.8172.6173.5161.4-135.70112.9R28 G100 E101 L102 D107R28-K104 HydrophobicContact CG-CB 4.47Å; G100-K104 WeakPolarHBondContact O-CB 3.31Å; G100-K104 PolarHBondContact O-N 2.94Å; E101-K104 CarbonylContact O-C 3.55Å; E101-K104 WeakPolarHBondContact O-CB 3.42Å; E101-K104 PolarHBondContact O-N 3.32Å; E101-K104 VanDerWaalsContact O-N 3.11Å; E101-K104 WeakPolarHBondContact OE1-CE 3.43Å; E101-K104 IonicContact OE1-NZ 2.73Å; E101-K104 PolarHBondContact OE1-NZ 2.83Å; E101-K104 IonicContact OE2-NZ 3.34Å; E101-K104 PolarHBondContact OE2-NZ 3.09Å; E101-K104 VanDerWaalsContact OE2-NZ 3.13Å; L102-K104 VanDerWaalsContact C-N 3.3Å; L102-K104 PolarHBondContact O-N 3.16Å; K104-D107 WeakPolarHBondContact O-CB 3.39Å; K104-D107 PolarHBondContact O-N 3.48Å
105Q95.8Very high94.5Very high25 Ų2534.6 Ų34.612%0.11719%0.19CC..Hα-helixtrans-70.7-37176.2-64.7-55.3-35.700111.5E101 L102 D107 L108 A439 D442 A443E101-Q105 HydrophobicContact CG-CG 4.34Å; E101-Q105 WeakPolarHBondContact O-CG 3.48Å; E101-Q105 PolarHBondContact O-N 3.3Å; E101-Q105 PolarHBondContact OE1-NE2 3.3Å; L102-Q105 PolarHBondContact O-N 3.45Å; Q105-D107 VanDerWaalsContact C-N 3.33Å; Q105-D107 PolarHBondContact O-N 2.98Å; Q105-L108 PolarHBondContact O-N 3.06Å; Q105-A439 HydrophobicContact CB-CB 3.75Å; Q105-D442 HydrophobicContact CG-CB 4.42Å; Q105-A443 HydrophobicContact CG-CB 4.06Å
106A94.5Very high94.5Very high0 Ų035.9 Ų35.90%020%0.199CC..Hα-helixtrans-62.3-39.2173.200000112.4L102 L108 Y109 V110 I119 F123 L516L102-A106 WeakPolarHBondContact O-CB 3.35Å; L102-A106 PolarHBondContact O-N 3.02Å; A106-L108 VanDerWaalsContact C-N 3.26Å; A106-L108 PolarHBondContact O-N 3Å; A106-Y109 PolarHBondContact O-N 3.38Å; A106-V110 WeakPolarHBondContact O-CG2 3.46Å; A106-V110 PolarHBondContact O-N 2.68Å; A106-I119 HydrophobicContact CB-CD1 4.38Å; A106-I119 HydrophobicContact CB-CG2 3.91Å; A106-F123 HydrophobicContact CB-CE2 4.47Å; A106-F123 HydrophobicContact CB-CZ 4.08Å; A106-L516 HydrophobicContact CB-CD1 3.79Å; A106-L516 HydrophobicContact CB-CD2 3.76Å; A106-L516 HydrophobicContact CB-CG 4.42Å
107D94.1Very high94.4Very high44 Ų4443.3 Ų43.324%0.23523%0.227CC..Hα-helixtrans-53.4-41.6178.3-16233.5000112.6I24 R28 L103 K104 Q105 Y109 V110 S111I24-D107 HydrophobicContact CD1-CB 3.78Å; I24-D107 WeakPolarHBondContact CD1-OD1 3.49Å; I24-D107 HydrophobicContact CG2-CB 4.41Å; R28-D107 IonicContact CZ-OD2 2.68Å; R28-D107 IonicContact NH1-OD2 2.62Å; R28-D107 IonicContact NH2-OD2 3.13Å; R28-D107 PolarHBondContact NH2-OD2 3.45Å; L103-D107 PolarHBondContact O-N 2.91Å; K104-D107 WeakPolarHBondContact O-CB 3.39Å; K104-D107 PolarHBondContact O-N 3.48Å; Q105-D107 VanDerWaalsContact C-N 3.33Å; Q105-D107 PolarHBondContact O-N 2.98Å; D107-Y109 VanDerWaalsContact C-N 3.34Å; D107-Y109 PolarHBondContact O-N 2.76Å; D107-V110 PolarHBondContact O-N 3.41Å; D107-S111 VanDerWaalsContact O-CB 3.31Å; D107-S111 WeakPolarHBondContact O-CB 3.33Å; D107-S111 PolarHBondContact O-N 3.01Å; D107-S111 PolarHBondContact O-OG 3.38Å
108L94.3Very high94.3Very high87 Ų8745.2 Ų45.246%0.45524%0.236SC..Hα-helixtrans-57-50.3179.6-62.5175.4000110.4Q105 A106 S111 E112Q105-L108 PolarHBondContact O-N 3.06Å; A106-L108 VanDerWaalsContact C-N 3.26Å; A106-L108 PolarHBondContact O-N 3Å; L108-S111 PolarHBondContact O-N 3.35Å; L108-S111 PolarHBondContact O-OG 3.5Å; L108-E112 WeakPolarHBondContact O-CG 3.48Å; L108-E112 PolarHBondContact O-N 3.18Å
109Y93.9Very high94.2Very high35 Ų3545.2 Ų45.214%0.13724%0.236CC..Hα-helixtrans-70.8-36.3179.8-68-51.6000113.3A106 D107 S111 E112 G113 L114 L435 Q438 A439A106-Y109 PolarHBondContact O-N 3.38Å; D107-Y109 VanDerWaalsContact C-N 3.34Å; D107-Y109 PolarHBondContact O-N 2.76Å; Y109-S111 VanDerWaalsContact C-N 3.3Å; Y109-S111 PolarHBondContact O-N 2.81Å; Y109-E112 PolarHBondContact O-N 3.01Å; Y109-G113 PolarHBondContact O-N 3.02Å; Y109-L114 HydrophobicContact CD1-CD1 3.96Å; Y109-L114 HydrophobicContact CG-CD1 4.13Å; Y109-L114 WeakPolarHBondContact O-CB 3.44Å; Y109-L114 PolarHBondContact O-N 3.37Å; Y109-L435 HydrophobicContact CD1-CB 4.29Å; Y109-L435 HydrophobicContact CD1-CD1 4.43Å; Y109-L435 HydrophobicContact CD2-CB 4.44Å; Y109-L435 HydrophobicContact CE1-CB 4.26Å; Y109-L435 HydrophobicContact CE1-CD2 4.02Å; Y109-L435 HydrophobicContact CE2-CB 4.37Å; Y109-L435 VanDerWaalsContact CE2-O 3.23Å; Y109-L435 WeakPolarHBondContact CE2-O 3.43Å; Y109-L435 HydrophobicContact CG-CB 4.39Å; Y109-Q438 WeakPolarHBondContact OH-CG 3.45Å; Y109-A439 HydrophobicContact CD2-CB 3.95Å; Y109-A439 HydrophobicContact CE2-CB 3.7Å
110V92.7Very high94.1Very high10 Ų1045.7 Ų45.76%0.06124%0.24CC..Hα-helixtrans-65.9-37.1174.8178.80000110.9L20 A106 D107 E112 G113 P116 I119L20-V110 HydrophobicContact CD2-CB 4.18Å; L20-V110 HydrophobicContact CD2-CG1 3.6Å; L20-V110 HydrophobicContact CD2-CG2 4.21Å; A106-V110 WeakPolarHBondContact O-CG2 3.46Å; A106-V110 PolarHBondContact O-N 2.68Å; D107-V110 PolarHBondContact O-N 3.41Å; V110-E112 VanDerWaalsContact C-N 3.26Å; V110-E112 PolarHBondContact O-N 3.08Å; V110-G113 WeakPolarHBondContact O-CA 3.3Å; V110-G113 PolarHBondContact O-N 3.47Å; V110-P116 HydrophobicContact CG1-CG 4.35Å; V110-P116 HydrophobicContact CG2-CG 4.05Å; V110-I119 HydrophobicContact CG2-CD1 3.48Å; V110-I119 VanDerWaalsContact CG2-CD1 3.48Å
111S91.4Very high94Very high90 Ų9050.7 Ų50.763%0.62926%0.263SS*.Hα-helixtrans-64.9-30.5176.378.60000112.6D107 L108 Y109 G113D107-S111 VanDerWaalsContact O-CB 3.31Å; D107-S111 WeakPolarHBondContact O-CB 3.33Å; D107-S111 PolarHBondContact O-N 3.01Å; D107-S111 PolarHBondContact O-OG 3.38Å; L108-S111 PolarHBondContact O-N 3.35Å; L108-S111 PolarHBondContact O-OG 3.5Å; Y109-S111 VanDerWaalsContact C-N 3.3Å; Y109-S111 PolarHBondContact O-N 2.81Å; S111-G113 PolarHBondContact O-N 3.42Å
112E92.8Very high93.9Very high145 Ų14550.1 Ų50.168%0.67826%0.261SS*.THydrogen-bonded Turntrans-76.4-3.8171.5-67.9175.7178.400113.5L108 Y109 V110L108-E112 WeakPolarHBondContact O-CG 3.48Å; L108-E112 PolarHBondContact O-N 3.18Å; Y109-E112 PolarHBondContact O-N 3.01Å; V110-E112 VanDerWaalsContact C-N 3.26Å; V110-E112 PolarHBondContact O-N 3.08Å
113G90.1Very high93.9Very high60 Ų6050 Ų5062%0.61926%0.26SS*.THydrogen-bonded Turntrans98.214175.200000115.2Y109 V110 S111Y109-G113 PolarHBondContact O-N 3.02Å; V110-G113 WeakPolarHBondContact O-CA 3.3Å; V110-G113 PolarHBondContact O-N 3.47Å; S111-G113 PolarHBondContact O-N 3.42Å
114L92.8Very high93.8Very high18 Ų1853.8 Ų53.89%0.09428%0.278CS..  trans-73.7137171.2-77.3141000111.5Y109 R432 L435Y109-L114 HydrophobicContact CD1-CD1 3.96Å; Y109-L114 HydrophobicContact CG-CD1 4.13Å; Y109-L114 WeakPolarHBondContact O-CB 3.44Å; Y109-L114 PolarHBondContact O-N 3.37Å; L114-R432 HydrophobicContact CD2-CB 4.13Å; L114-R432 HydrophobicContact CD2-CG 4.47Å; L114-L435 HydrophobicContact CD1-CD1 3.32Å; L114-L435 HydrophobicContact CD2-CD1 3.99Å; L114-L435 HydrophobicContact CG-CD1 4.28Å
115H92.4Very high93.7Very high119 Ų11951.5 Ų51.555%0.55127%0.274SS*.  trans-69.9128.5176.4-168-75.6000110R117 I118H115-R117 VanDerWaalsContact ND1-CB 3.28Å; H115-R117 WeakPolarHBondContact ND1-CB 3.42Å; H115-R117 PolarHBondContact ND1-N 3.29Å; H115-R117 PolarHBondContact O-N 2.82Å; H115-I118 HydrophobicContact CB-CD1 4.3Å; H115-I118 HydrophobicContact CB-CG1 4.43Å; H115-I118 WeakPolarHBondContact O-CB 3.41Å; H115-I118 PolarHBondContact O-N 3.41Å
116P93.3Very high93.7Very high28 Ų2850.3 Ų50.318%0.18227%0.268CS..Hα-helixtrans-52.8-33.2-175.7-29.534.5000114.7V110 I118 I119 A120 L516V110-P116 HydrophobicContact CG1-CG 4.35Å; V110-P116 HydrophobicContact CG2-CG 4.05Å; P116-I118 VanDerWaalsContact C-N 3.3Å; P116-I118 PolarHBondContact O-N 3.17Å; P116-I119 WeakPolarHBondContact O-CB 3.39Å; P116-I119 PolarHBondContact O-N 3.33Å; P116-I119 VanDerWaalsContact O-N 3.09Å; P116-A120 PolarHBondContact O-N 2.66Å; P116-L516 HydrophobicContact CB-CB 4.46Å; P116-L516 WeakPolarHBondContact CB-O 3.48Å
117R93.7Very high93.7Very high156 Ų15650.9 Ų50.959%0.58927%0.271SS*.Hα-helixtrans-56-38.2174.8-168.8173.2179.8160.94.4114.3H115 I119 A120 E121 L517H115-R117 VanDerWaalsContact ND1-CB 3.28Å; H115-R117 WeakPolarHBondContact ND1-CB 3.42Å; H115-R117 PolarHBondContact ND1-N 3.29Å; H115-R117 PolarHBondContact O-N 2.82Å; R117-I119 VanDerWaalsContact C-N 3.29Å; R117-I119 PolarHBondContact O-N 2.95Å; R117-A120 PolarHBondContact O-N 3.21Å; R117-E121 IonicContact NE-OE1 3.38Å; R117-E121 WeakPolarHBondContact O-CG 3.27Å; R117-E121 PolarHBondContact O-N 3.27Å; R117-L517 HydrophobicContact CB-CD2 4.1Å; R117-L517 HydrophobicContact CG-CD2 4.43Å
118I94.1Very high93.8Very high40 Ų4054.9 Ų54.921%0.20529%0.288CS..Hα-helixtrans-68.2-35.3178.6-61.1175.4000110.4H115 P116 G122 R432 A433H115-I118 HydrophobicContact CB-CD1 4.3Å; H115-I118 HydrophobicContact CB-CG1 4.43Å; H115-I118 WeakPolarHBondContact O-CB 3.41Å; H115-I118 PolarHBondContact O-N 3.41Å; P116-I118 VanDerWaalsContact C-N 3.3Å; P116-I118 PolarHBondContact O-N 3.17Å; I118-G122 PolarHBondContact O-N 2.96Å; I118-R432 HydrophobicContact CD1-CB 4.35Å; I118-R432 VanDerWaalsContact CG2-C 3.49Å; I118-R432 HydrophobicContact CG2-CB 3.68Å; I118-A433 HydrophobicContact CG2-CB 4.49Å
119I94.4Very high93.8Very high1 Ų153.5 Ų53.51%0.00528%0.278CS..Hα-helixtrans-69.5-44.4176.8-58.7171.5000109.7A106 V110 P116 R117 E121 G122 F123 L516A106-I119 HydrophobicContact CB-CD1 4.38Å; A106-I119 HydrophobicContact CB-CG2 3.91Å; V110-I119 HydrophobicContact CG2-CD1 3.48Å; V110-I119 VanDerWaalsContact CG2-CD1 3.48Å; P116-I119 WeakPolarHBondContact O-CB 3.39Å; P116-I119 PolarHBondContact O-N 3.33Å; P116-I119 VanDerWaalsContact O-N 3.09Å; R117-I119 VanDerWaalsContact C-N 3.29Å; R117-I119 PolarHBondContact O-N 2.95Å; I119-E121 VanDerWaalsContact C-N 3.33Å; I119-E121 PolarHBondContact O-N 3.38Å; I119-G122 CarbonylContact O-C 3.6Å; I119-G122 WeakPolarHBondContact O-CA 3.33Å; I119-G122 PolarHBondContact O-N 3.28Å; I119-G122 VanDerWaalsContact O-N 3.09Å; I119-F123 HydrophobicContact CG2-CD1 4.22Å; I119-F123 HydrophobicContact CG2-CD2 4.43Å; I119-F123 HydrophobicContact CG2-CE1 3.79Å; I119-F123 HydrophobicContact CG2-CE2 4.03Å; I119-F123 HydrophobicContact CG2-CZ 3.7Å; I119-F123 WeakPolarHBondContact O-CG 3.35Å; I119-F123 PolarHBondContact O-N 3.39Å; I119-L516 HydrophobicContact CG2-CD1 4.1Å
120A94.4Very high93.9Very high10 Ų1051.9 Ų51.98%0.08327%0.272CS..Hα-helixtrans-60.1-40.4175.400000112.4P116 R117 F123 E124 L517P116-A120 PolarHBondContact O-N 2.66Å; R117-A120 PolarHBondContact O-N 3.21Å; A120-F123 PolarHBondContact O-N 3.49Å; A120-E124 PolarHBondContact O-N 2.84Å; A120-E124 VanDerWaalsContact O-N 3.08Å; A120-L517 HydrophobicContact CB-CD1 4.45Å; A120-L517 HydrophobicContact CB-CD2 4.5Å; A120-L517 HydrophobicContact CB-CG 4.47Å
121E93.9Very high94Very high106 Ų10653.3 Ų53.350%0.49528%0.279SS..Hα-helixtrans-62.2-41.4172.1-74.7170.1-167.300111.9R117 I119 E124 A125R117-E121 IonicContact NE-OE1 3.38Å; R117-E121 WeakPolarHBondContact O-CG 3.27Å; R117-E121 PolarHBondContact O-N 3.27Å; I119-E121 VanDerWaalsContact C-N 3.33Å; I119-E121 PolarHBondContact O-N 3.38Å; E121-E124 PolarHBondContact O-N 3.37Å; E121-A125 PolarHBondContact O-N 3.18Å
122G94.5Very high94.2Very high0 Ų050.9 Ų50.90%026%0.264CS..Hα-helixtrans-65.3-36.7174.500000113.5I118 I119 A125 A126 A433 V437I118-G122 PolarHBondContact O-N 2.96Å; I119-G122 CarbonylContact O-C 3.6Å; I119-G122 WeakPolarHBondContact O-CA 3.33Å; I119-G122 PolarHBondContact O-N 3.28Å; I119-G122 VanDerWaalsContact O-N 3.09Å; G122-A125 PolarHBondContact O-N 3.43Å; G122-A126 WeakPolarHBondContact O-CB 3.46Å; G122-A126 PolarHBondContact O-N 2.94Å; G122-A433 WeakPolarHBondContact CA-O 3.4Å; G122-V437 WeakPolarHBondContact O-CG2 3.5Å
123F95.9Very high94.3Very high0 Ų044.2 Ų44.20%023%0.233CC..Hα-helixtrans-64.3-40.3174.7-75.4-4.9000112.2L102 A106 I119 A120 A126 K127 G436 A439 F440 T509 A512 L516L102-F123 HydrophobicContact CB-CE2 4.37Å; L102-F123 HydrophobicContact CB-CZ 4.33Å; L102-F123 HydrophobicContact CD2-CE1 4.04Å; L102-F123 HydrophobicContact CD2-CE2 4.32Å; L102-F123 HydrophobicContact CD2-CZ 3.9Å; A106-F123 HydrophobicContact CB-CE2 4.47Å; A106-F123 HydrophobicContact CB-CZ 4.08Å; I119-F123 HydrophobicContact CG2-CD1 4.22Å; I119-F123 HydrophobicContact CG2-CD2 4.43Å; I119-F123 HydrophobicContact CG2-CE1 3.79Å; I119-F123 HydrophobicContact CG2-CE2 4.03Å; I119-F123 HydrophobicContact CG2-CZ 3.7Å; I119-F123 WeakPolarHBondContact O-CG 3.35Å; I119-F123 PolarHBondContact O-N 3.39Å; A120-F123 PolarHBondContact O-N 3.49Å; F123-A126 PolarHBondContact O-N 3.23Å; F123-K127 WeakPolarHBondContact O-CB 3.38Å; F123-K127 PolarHBondContact O-N 3.35Å; F123-G436 VanDerWaalsContact CD1-O 3.31Å; F123-G436 WeakPolarHBondContact CD1-O 3.31Å; F123-G436 WeakPolarHBondContact CE1-O 3.35Å; F123-A439 HydrophobicContact CE1-CB 3.84Å; F123-A439 HydrophobicContact CZ-CB 4.37Å; F123-F440 HydrophobicContact CB-CD2 4.34Å; F123-F440 HydrophobicContact CD1-CB 3.96Å; F123-F440 AromaticContact CD1-CD2 3.89Å; F123-F440 HydrophobicContact CD1-CD2 3.89Å; F123-F440 HydrophobicContact CD1-CG 4.44Å; F123-F440 HydrophobicContact CE1-CB 4.14Å; F123-F440 HydrophobicContact CE1-CD2 4.4Å; F123-F440 HydrophobicContact CG-CD2 4.18Å; F123-T509 HydrophobicContact CB-CG2 3.97Å; F123-A512 HydrophobicContact CE2-CB 4.4Å; F123-L516 HydrophobicContact CD2-CD1 4.09Å; F123-L516 HydrophobicContact CE2-CD1 3.53Å; F123-L516 HydrophobicContact CZ-CD1 4.36Å
124E94.6Very high94.5Very high78 Ų7841.4 Ų41.436%0.36420%0.204SC..Hα-helixtrans-65.3-44.8177.7-169.464.2-173.300111.6A120 E121 A126 K127 E128A120-E124 PolarHBondContact O-N 2.84Å; A120-E124 VanDerWaalsContact O-N 3.08Å; E121-E124 PolarHBondContact O-N 3.37Å; E124-A126 VanDerWaalsContact C-N 3.35Å; E124-A126 PolarHBondContact O-N 2.81Å; E124-K127 PolarHBondContact O-N 3Å; E124-K127 WeakPolarHBondContact OE1-CE 3.48Å; E124-K127 IonicContact OE1-NZ 2.76Å; E124-K127 PolarHBondContact OE1-NZ 2.88Å; E124-K127 WeakPolarHBondContact OE2-CE 3.47Å; E124-K127 IonicContact OE2-NZ 3.78Å; E124-K127 PolarHBondContact OE2-NZ 3.47Å; E124-E128 PolarHBondContact O-N 2.93Å; E124-E128 VanDerWaalsContact O-N 3.12Å
125A93.8Very high94.5Very high30 Ų3044.3 Ų44.325%0.24822%0.217CC..Hα-helixtrans-62.5-40.4174.500000112.3E121 G122 K129E121-A125 PolarHBondContact O-N 3.18Å; G122-A125 PolarHBondContact O-N 3.43Å; A125-K129 PolarHBondContact O-N 2.95Å
126A95.4Very high94.5Very high0 Ų045.3 Ų45.30%022%0.222CC..Hα-helixtrans-65-41.2176.300000111.9G122 F123 E124 K129 A130 L422 V437 F440G122-A126 WeakPolarHBondContact O-CB 3.46Å; G122-A126 PolarHBondContact O-N 2.94Å; F123-A126 PolarHBondContact O-N 3.23Å; E124-A126 VanDerWaalsContact C-N 3.35Å; E124-A126 PolarHBondContact O-N 2.81Å; A126-K129 PolarHBondContact O-N 2.82Å; A126-A130 VanDerWaalsContact O-CB 3.27Å; A126-A130 WeakPolarHBondContact O-CB 3.48Å; A126-A130 PolarHBondContact O-N 3.23Å; A126-L422 HydrophobicContact CB-CD1 4.43Å; A126-L422 HydrophobicContact CB-CD2 4.04Å; A126-L422 WeakPolarHBondContact O-CD2 3.43Å; A126-V437 HydrophobicContact CB-CB 4.47Å; A126-V437 HydrophobicContact CB-CG1 4.26Å; A126-V437 HydrophobicContact CB-CG2 4.32Å; A126-F440 HydrophobicContact CB-CB 3.71Å; A126-F440 HydrophobicContact CB-CD1 3.79Å; A126-F440 HydrophobicContact CB-CD2 4.2Å; A126-F440 HydrophobicContact CB-CE1 4.45Å; A126-F440 HydrophobicContact CB-CG 3.63Å
127K95.6Very high94.3Very high12 Ų1245.1 Ų45.15%0.05222%0.221CC..Hα-helixtrans-60.1-47.5177-179.8-162.672.4-170.10111.7F123 E124 K129 A130 L131 T509F123-K127 WeakPolarHBondContact O-CB 3.38Å; F123-K127 PolarHBondContact O-N 3.35Å; E124-K127 PolarHBondContact O-N 3Å; E124-K127 WeakPolarHBondContact OE1-CE 3.48Å; E124-K127 IonicContact OE1-NZ 2.76Å; E124-K127 PolarHBondContact OE1-NZ 2.88Å; E124-K127 WeakPolarHBondContact OE2-CE 3.47Å; E124-K127 IonicContact OE2-NZ 3.78Å; E124-K127 PolarHBondContact OE2-NZ 3.47Å; K127-K129 VanDerWaalsContact C-N 3.32Å; K127-K129 PolarHBondContact O-N 2.91Å; K127-A130 PolarHBondContact O-N 3.48Å; K127-L131 HydrophobicContact CG-CD1 4.17Å; K127-L131 WeakPolarHBondContact O-CG 3.34Å; K127-L131 PolarHBondContact O-N 3.16Å; K127-T509 HydrophobicContact CB-CG2 3.87Å; K127-T509 HydrophobicContact CD-CG2 4.02Å; K127-T509 HydrophobicContact CG-CG2 4.32Å
128E95.1Very high94.2Very high128 Ų12841 Ų4160%0.59821%0.207SC*.Hα-helixtrans-58.8-45.3178.1-72.2-174.7169.900111.5E124 L131 A132E124-E128 PolarHBondContact O-N 2.93Å; E124-E128 VanDerWaalsContact O-N 3.12Å; E128-L131 PolarHBondContact O-N 3.13Å; E128-A132 PolarHBondContact O-N 3.17Å
129K95Very high94Very high58 Ų5841.3 Ų41.325%0.25221%0.211SC..Hα-helixtrans-68.1-37.6177.4-174.257.1-176160.30112.3A125 A126 K127 L131 A132 V133 E136 L422 H425A125-K129 PolarHBondContact O-N 2.95Å; A126-K129 PolarHBondContact O-N 2.82Å; K127-K129 VanDerWaalsContact C-N 3.32Å; K127-K129 PolarHBondContact O-N 2.91Å; K129-L131 VanDerWaalsContact C-N 3.35Å; K129-A132 WeakPolarHBondContact O-CB 3.31Å; K129-A132 PolarHBondContact O-N 3.3Å; K129-V133 VanDerWaalsContact O-CG2 3.31Å; K129-V133 WeakPolarHBondContact O-CG2 3.35Å; K129-V133 PolarHBondContact O-N 2.74Å; K129-E136 IonicContact NZ-OE1 2.72Å; K129-L422 HydrophobicContact CB-CD2 3.99Å; K129-L422 HydrophobicContact CG-CD2 4.15Å; K129-H425 HydrophobicContact CG-CB 4.14Å
130A95.3Very high93.6Very high0 Ų046.3 Ų46.30%024%0.241CC..Hα-helixtrans-63.8-39.6176.200000112A126 K127 V133 L134 V418 F440 L505A126-A130 VanDerWaalsContact O-CB 3.27Å; A126-A130 WeakPolarHBondContact O-CB 3.48Å; A126-A130 PolarHBondContact O-N 3.23Å; K127-A130 PolarHBondContact O-N 3.48Å; A130-V133 PolarHBondContact O-N 2.97Å; A130-L134 PolarHBondContact O-N 3.41Å; A130-V418 HydrophobicContact CB-CG1 3.61Å; A130-F440 HydrophobicContact CB-CE1 4.4Å; A130-L505 HydrophobicContact CB-CD1 3.97Å
131L95.6Very high92.8Very high41 Ų4151.4 Ų51.422%0.21526%0.258CS..Hα-helixtrans-66.4-38.4173.6-70.5173.6000111.8K127 E128 K129 L134 E135 K502 L505K127-L131 HydrophobicContact CG-CD1 4.17Å; K127-L131 WeakPolarHBondContact O-CG 3.34Å; K127-L131 PolarHBondContact O-N 3.16Å; E128-L131 PolarHBondContact O-N 3.13Å; K129-L131 VanDerWaalsContact C-N 3.35Å; L131-L134 HydrophobicContact CD2-CD2 4.37Å; L131-L134 WeakPolarHBondContact O-CB 3.42Å; L131-L134 PolarHBondContact O-N 2.84Å; L131-E135 PolarHBondContact O-N 3.34Å; L131-E135 VanDerWaalsContact O-N 3.12Å; L131-K502 HydrophobicContact CD2-CG 3.96Å; L131-L505 HydrophobicContact CD2-CB 4.31Å; L131-L505 HydrophobicContact CD2-CD1 4.3Å
132A95.4Very high92.1Very high38 Ų3854.1 Ų54.131%0.31427%0.271SS..Hα-helixtrans-63.1-42.1173.400000112E128 K129 L134 E135 E136E128-A132 PolarHBondContact O-N 3.17Å; K129-A132 WeakPolarHBondContact O-CB 3.31Å; K129-A132 PolarHBondContact O-N 3.3Å; A132-L134 VanDerWaalsContact C-N 3.31Å; A132-L134 PolarHBondContact O-N 3.08Å; A132-E135 WeakPolarHBondContact O-CB 3.47Å; A132-E135 PolarHBondContact O-N 2.59Å; A132-E136 WeakPolarHBondContact O-CG 3.24Å; A132-E136 PolarHBondContact O-N 2.85Å; A132-E136 VanDerWaalsContact O-N 3.15Å
133V94Very high91.6Very high6 Ų656.1 Ų56.14%0.03628%0.281CS..Hα-helixtrans-64.1-37.41751740000111K129 A130 E135 E136 V137 V418 A421K129-V133 VanDerWaalsContact O-CG2 3.31Å; K129-V133 WeakPolarHBondContact O-CG2 3.35Å; K129-V133 PolarHBondContact O-N 2.74Å; A130-V133 PolarHBondContact O-N 2.97Å; V133-E135 VanDerWaalsContact C-N 3.29Å; V133-E135 PolarHBondContact O-N 3.17Å; V133-E136 PolarHBondContact O-N 3.47Å; V133-E136 VanDerWaalsContact O-N 3.13Å; V133-V137 HydrophobicContact CG1-CG2 3.81Å; V133-V137 VanDerWaalsContact O-CB 3.28Å; V133-V137 WeakPolarHBondContact O-CB 3.49Å; V133-V137 VanDerWaalsContact O-CG2 3.23Å; V133-V137 WeakPolarHBondContact O-CG2 3.48Å; V133-V137 PolarHBondContact O-N 2.94Å; V133-V418 HydrophobicContact CB-CG2 4.4Å; V133-V418 HydrophobicContact CG1-CG2 3.9Å; V133-A421 HydrophobicContact CG1-CB 4.38Å; V133-A421 HydrophobicContact CG2-CB 3.65Å
134L94.3Very high91.2Very high0 Ų060.3 Ų60.30%030%0.303CS..Hα-helixtrans-60.3-37.9174.3179.565.6000112.2A130 L131 A132 K138 V408 F414 Y498 K501 K502A130-L134 PolarHBondContact O-N 3.41Å; L131-L134 HydrophobicContact CD2-CD2 4.37Å; L131-L134 WeakPolarHBondContact O-CB 3.42Å; L131-L134 PolarHBondContact O-N 2.84Å; A132-L134 VanDerWaalsContact C-N 3.31Å; A132-L134 PolarHBondContact O-N 3.08Å; L134-K138 WeakPolarHBondContact O-CB 3.43Å; L134-K138 PolarHBondContact O-N 3.33Å; L134-K138 VanDerWaalsContact O-N 3.15Å; L134-V408 HydrophobicContact CD1-CG1 4.44Å; L134-V408 HydrophobicContact CD1-CG2 3.83Å; L134-F414 HydrophobicContact CB-CE2 3.83Å; L134-F414 HydrophobicContact CB-CZ 3.93Å; L134-F414 HydrophobicContact CD1-CD2 4.08Å; L134-F414 HydrophobicContact CD1-CE1 4.47Å; L134-F414 HydrophobicContact CD1-CE2 3.39Å; L134-F414 HydrophobicContact CD1-CZ 3.61Å; L134-F414 HydrophobicContact CG-CE2 4.17Å; L134-F414 HydrophobicContact CG-CZ 4.22Å; L134-Y498 HydrophobicContact CD1-CD2 4.05Å; L134-Y498 HydrophobicContact CD1-CE2 4.43Å; L134-Y498 HydrophobicContact CD2-CD2 4.03Å; L134-Y498 HydrophobicContact CD2-CE2 3.79Å; L134-Y498 HydrophobicContact CG-CD2 3.81Å; L134-Y498 HydrophobicContact CG-CE2 3.69Å; L134-K501 HydrophobicContact CD1-CB 4.08Å; L134-K501 HydrophobicContact CD2-CB 4.36Å; L134-K502 HydrophobicContact CD2-CB 3.76Å; L134-K502 HydrophobicContact CD2-CG 4.38Å
135E94.1Very high91.1Very high80 Ų8061.5 Ų61.537%0.37430%0.304SS..Hα-helixtrans-67.6-33.8173.6-65.9-60.4155.300113.3L131 A132 V133 K138 Y498L131-E135 PolarHBondContact O-N 3.34Å; L131-E135 VanDerWaalsContact O-N 3.12Å; A132-E135 WeakPolarHBondContact O-CB 3.47Å; A132-E135 PolarHBondContact O-N 2.59Å; V133-E135 VanDerWaalsContact C-N 3.29Å; V133-E135 PolarHBondContact O-N 3.17Å; E135-K138 WeakPolarHBondContact O-CG 3.45Å; E135-K138 WeakPolarHBondContact OE2-CE 3.43Å; E135-K138 IonicContact OE2-NZ 2.74Å; E135-K138 PolarHBondContact OE2-NZ 2.9Å; E135-Y498 PolarHBondContact OE1-OH 2.87Å
136E92.2Very high91Very high139 Ų13967.2 Ų67.265%0.6533%0.326SS*.Hα-helixtrans-75.4-35.6178.4-68.3168.1-165.400111.9K129 A132 V133K129-E136 IonicContact NZ-OE1 2.72Å; A132-E136 WeakPolarHBondContact O-CG 3.24Å; A132-E136 PolarHBondContact O-N 2.85Å; A132-E136 VanDerWaalsContact O-N 3.15Å; V133-E136 PolarHBondContact O-N 3.47Å; V133-E136 VanDerWaalsContact O-N 3.13Å
137V89.4Confident90.8Very high25 Ų2567.6 Ų67.615%0.15233%0.328CS..Hα-helixtrans-88.4-19.9-172.6169.80000113.1V133 V139 F414 L476V133-V137 HydrophobicContact CG1-CG2 3.81Å; V133-V137 VanDerWaalsContact O-CB 3.28Å; V133-V137 WeakPolarHBondContact O-CB 3.49Å; V133-V137 VanDerWaalsContact O-CG2 3.23Å; V133-V137 WeakPolarHBondContact O-CG2 3.48Å; V133-V137 PolarHBondContact O-N 2.94Å; V137-V139 PolarHBondContact O-N 3.22Å; V137-F414 HydrophobicContact CG1-CD2 4.34Å; V137-L476 HydrophobicContact CG1-CD1 3.61Å; V137-L476 HydrophobicContact CG1-CD2 3.64Å; V137-L476 HydrophobicContact CG1-CG 4.26Å
138K91.3Very high90.7Very high69 Ų6967 Ų6730%0.333%0.326SS..  trans-59.7138.6-179.174.3-171.6179.8-178.90110.9L134 E135 C406 V408 Y498L134-K138 WeakPolarHBondContact O-CB 3.43Å; L134-K138 PolarHBondContact O-N 3.33Å; L134-K138 VanDerWaalsContact O-N 3.15Å; E135-K138 WeakPolarHBondContact O-CG 3.45Å; E135-K138 WeakPolarHBondContact OE2-CE 3.43Å; E135-K138 IonicContact OE2-NZ 2.74Å; E135-K138 PolarHBondContact OE2-NZ 2.9Å; K138-C406 HydrophobicContact CB-CB 4.4Å; K138-C406 HydrophobicContact CD-CB 4.41Å; K138-C406 HydrophobicContact CG-CB 4.48Å; K138-V408 HydrophobicContact CB-CG2 4.45Å; K138-Y498 HydrophobicContact CB-CD2 4.28Å; K138-Y498 HydrophobicContact CD-CD2 4.3Å; K138-Y498 HydrophobicContact CD-CE2 4.26Å
139V88.8Confident90.7Very high47 Ų4761.8 Ų61.829%0.28530%0.302SS..EExtended strand (participates in β ladder)trans-99.8105.5176.2-1680000107.7V137 R141 C406 V407 W495V137-V139 PolarHBondContact O-N 3.22Å; V139-R141 HydrophobicContact CG1-CG 3.71Å; V139-R141 PolarHBondContact O-N 2.98Å; V139-C406 WeakPolarHBondContact O-CA 3.42Å; V139-V407 PolarHBondContact N-O 2.65Å; V139-V407 PolarHBondContact O-N 3.48Å; V139-W495 HydrophobicContact CB-CZ3 4.22Å; V139-W495 HydrophobicContact CG2-CH2 4.27Å; V139-W495 HydrophobicContact CG2-CZ3 3.94Å
140T87.5Confident90.7Very high106 Ų10661 Ų6165%0.6530%0.3SS*.EExtended strand (participates in β ladder)trans-75.4117.4170.5-55.90000108.4
141R76.3Confident90.6Very high117 Ų11761.1 Ų61.144%0.44230%0.301SS..  trans-133.9150.8175.6-60.6-173.377.8170.31.2108.7V139 M143V139-R141 HydrophobicContact CG1-CG 3.71Å; V139-R141 PolarHBondContact O-N 2.98Å; R141-M143 PolarHBondContact O-N 3.23Å
142E80.1Confident90.6Very high163 Ų16359.1 Ų59.176%0.76229%0.291SS*.  trans-61.5133.9162.2-66.1-169.216100108.2D144E142-D144 PolarHBondContact O-N 3.16Å
143M83.1Confident90.5Very high42 Ų4260.6 Ų60.621%0.20729%0.288CS..  trans-7970.6-175.7-68.4-60.6157.200109.9R141 L148 A401 C406 V407R141-M143 PolarHBondContact O-N 3.23Å; M143-L148 HydrophobicContact CB-CD2 4.15Å; M143-L148 HydrophobicContact CB-CG 4.45Å; M143-L148 HydrophobicContact SD-CD2 4.25Å; M143-A401 WeakPolarHBondContact CE-O 2.92Å; M143-A401 HydrophobicContact SD-CB 4.28Å; M143-C406 VanDerWaalsContact CE-N 3.28Å; M143-V407 HydrophobicContact CE-CG1 4.07Å; M143-V407 HydrophobicContact SD-CG1 4.48Å
144D89.3Confident90.5Very high87 Ų8761.4 Ų61.447%0.46529%0.293SS..  trans-63.3152.6172.9-62.9-35.6000110.5E142 E146 T147 L148E142-D144 PolarHBondContact O-N 3.16Å; D144-E146 PolarHBondContact O-N 3.34Å; D144-E146 VanDerWaalsContact O-N 3.16Å; D144-T147 WeakPolarHBondContact O-CB 3.17Å; D144-T147 PolarHBondContact O-N 3.46Å; D144-L148 WeakPolarHBondContact O-CG 3.33Å; D144-L148 PolarHBondContact O-N 2.64Å
145R92.3Very high90.4Very high104 Ų10461.6 Ų61.639%0.39229%0.294SS..Hα-helixtrans-53.6-38.8177.6-173.9175.8-177.1-90.31.5111.9L148 I149 V173 D174 L177R145-L148 PolarHBondContact O-N 3.11Å; R145-I149 HydrophobicContact CG-CD1 4.1Å; R145-I149 WeakPolarHBondContact O-CB 3.19Å; R145-I149 VanDerWaalsContact O-CG1 3.24Å; R145-I149 WeakPolarHBondContact O-CG1 3.29Å; R145-I149 PolarHBondContact O-N 3.43Å; R145-V173 HydrophobicContact CG-CG1 4.04Å; R145-D174 IonicContact CZ-OD1 3.83Å; R145-D174 VanDerWaalsContact CZ-OD1 3.31Å; R145-D174 IonicContact NE-OD1 2.68Å; R145-D174 PolarHBondContact NE-OD1 3.43Å; R145-D174 VanDerWaalsContact NH2-CG 3.31Å; R145-D174 IonicContact NH2-OD1 3.82Å; R145-D174 PolarHBondContact NH2-OD1 3.44Å; R145-D174 IonicContact NH2-OD2 2.87Å; R145-D174 PolarHBondContact NH2-OD2 3.5Å; R145-D174 VanDerWaalsContact NH2-OD2 3.12Å; R145-L177 HydrophobicContact CB-CD1 4.5Å; R145-L177 HydrophobicContact CG-CD1 4.12Å
146E91.5Very high90.4Very high150 Ų15057.8 Ų57.870%0.70128%0.277SS*.Hα-helixtrans-65.1-41.2178.4-64.6-175.6177.700112.6D144 L148 I149 N150D144-E146 PolarHBondContact O-N 3.34Å; D144-E146 VanDerWaalsContact O-N 3.16Å; E146-L148 VanDerWaalsContact C-N 3.34Å; E146-I149 WeakPolarHBondContact O-CB 3.26Å; E146-I149 PolarHBondContact O-N 2.95Å; E146-N150 VanDerWaalsContact O-CG 3.32Å; E146-N150 PolarHBondContact O-N 3.08Å; E146-N150 PolarHBondContact O-ND2 3.09Å
147T91.2Very high90.4Very high7 Ų755.4 Ų55.44%0.04326%0.261CS..Hα-helixtrans-64.2-42.8176.5-35.30000110.4D144 I149 N150 V151D144-T147 WeakPolarHBondContact O-CB 3.17Å; D144-T147 PolarHBondContact O-N 3.46Å; T147-I149 VanDerWaalsContact C-N 3.35Å; T147-I149 PolarHBondContact O-N 3.37Å; T147-N150 WeakPolarHBondContact O-CB 3.11Å; T147-N150 PolarHBondContact O-N 3.48Å; T147-V151 WeakPolarHBondContact O-CG2 3.35Å; T147-V151 PolarHBondContact O-N 2.93Å
148L93.5Very high90.5Very high1 Ų155.7 Ų55.71%0.00526%0.264CS..Hα-helixtrans-64.8-37.2175.9-63.2178.1000112.5M143 D144 R145 E146 N150 V151 A152 V173 L177 V398 A401 I402M143-L148 HydrophobicContact CB-CD2 4.15Å; M143-L148 HydrophobicContact CB-CG 4.45Å; M143-L148 HydrophobicContact SD-CD2 4.25Å; D144-L148 WeakPolarHBondContact O-CG 3.33Å; D144-L148 PolarHBondContact O-N 2.64Å; R145-L148 PolarHBondContact O-N 3.11Å; E146-L148 VanDerWaalsContact C-N 3.34Å; L148-N150 VanDerWaalsContact C-N 3.32Å; L148-V151 PolarHBondContact O-N 3.03Å; L148-A152 WeakPolarHBondContact O-CB 3.47Å; L148-A152 PolarHBondContact O-N 3.12Å; L148-V173 HydrophobicContact CB-CG1 3.89Å; L148-V173 HydrophobicContact CB-CG2 4.1Å; L148-V173 HydrophobicContact CD1-CG1 4.41Å; L148-L177 HydrophobicContact CD1-CD2 3.93Å; L148-L177 HydrophobicContact CD1-CG 4.45Å; L148-V398 HydrophobicContact CB-CG1 4.4Å; L148-V398 HydrophobicContact CD2-CG1 4.16Å; L148-A401 HydrophobicContact CD2-CB 4.06Å; L148-I402 HydrophobicContact CD1-CD1 4.11Å; L148-I402 HydrophobicContact CD1-CG1 4.13Å; L148-I402 HydrophobicContact CD2-CD1 4.46Å; L148-I402 HydrophobicContact CD2-CG1 3.82Å
149I95Very high90.4Very high18 Ų1853.2 Ų53.29%0.09225%0.253CS..Hα-helixtrans-60.3-44.3172.3-76.2168.8000110.3R145 E146 T147 V151 A152 R153 T169 V173R145-I149 HydrophobicContact CG-CD1 4.1Å; R145-I149 WeakPolarHBondContact O-CB 3.19Å; R145-I149 VanDerWaalsContact O-CG1 3.24Å; R145-I149 WeakPolarHBondContact O-CG1 3.29Å; R145-I149 PolarHBondContact O-N 3.43Å; E146-I149 WeakPolarHBondContact O-CB 3.26Å; E146-I149 PolarHBondContact O-N 2.95Å; T147-I149 VanDerWaalsContact C-N 3.35Å; T147-I149 PolarHBondContact O-N 3.37Å; I149-V151 PolarHBondContact O-N 3.24Å; I149-A152 PolarHBondContact O-N 3.13Å; I149-R153 WeakPolarHBondContact O-CB 3.32Å; I149-R153 PolarHBondContact O-N 2.95Å; I149-T169 HydrophobicContact CB-CG2 4.09Å; I149-T169 HydrophobicContact CG1-CG2 4.34Å; I149-T169 HydrophobicContact CG2-CG2 3.65Å; I149-T169 WeakPolarHBondContact O-CG2 3.14Å; I149-V173 HydrophobicContact CG1-CB 4.36Å; I149-V173 HydrophobicContact CG1-CG1 4.39Å; I149-V173 HydrophobicContact CG1-CG2 4.01Å
150N93.6Very high90.5Very high41 Ų4151.6 Ų51.622%0.21924%0.243CC..Hα-helixtrans-65.5-39178.6-69.2-26.7000112.4E146 T147 L148 R153 T154 G493E146-N150 VanDerWaalsContact O-CG 3.32Å; E146-N150 PolarHBondContact O-N 3.08Å; E146-N150 PolarHBondContact O-ND2 3.09Å; T147-N150 WeakPolarHBondContact O-CB 3.11Å; T147-N150 PolarHBondContact O-N 3.48Å; L148-N150 VanDerWaalsContact C-N 3.32Å; N150-R153 PolarHBondContact OD1-NH1 3.32Å; N150-T154 WeakPolarHBondContact O-CB 3.2Å; N150-T154 PolarHBondContact O-N 3.09Å; N150-T154 PolarHBondContact O-OG1 3.47Å; N150-G493 WeakPolarHBondContact CB-O 3.48Å
151V93.9Very high90.6Very high2 Ų252.5 Ų52.51%0.01224%0.24CC..Hα-helixtrans-63.7-51.5173.7172.50000111.2T147 L148 I149 R153 T154 S155 A397 A401 V407 W495T147-V151 WeakPolarHBondContact O-CG2 3.35Å; T147-V151 PolarHBondContact O-N 2.93Å; L148-V151 PolarHBondContact O-N 3.03Å; I149-V151 PolarHBondContact O-N 3.24Å; V151-R153 VanDerWaalsContact C-N 3.32Å; V151-R153 PolarHBondContact O-N 3.13Å; V151-T154 PolarHBondContact O-N 3.35Å; V151-S155 PolarHBondContact O-N 3.44Å; V151-S155 VanDerWaalsContact O-N 3.12Å; V151-A397 HydrophobicContact CG1-CB 4.28Å; V151-A401 HydrophobicContact CG1-CB 4.21Å; V151-A401 HydrophobicContact CG2-CB 4.34Å; V151-V407 HydrophobicContact CG2-CG1 3.95Å; V151-W495 HydrophobicContact CG2-CB 3.92Å
152A94.9Very high91.2Very high0 Ų050.7 Ų50.70%024%0.242CC..Hα-helixtrans-58.2-44.6177.800000111.8L148 I149 T154 S155 L156 T169 V172 V173 V398L148-A152 WeakPolarHBondContact O-CB 3.47Å; L148-A152 PolarHBondContact O-N 3.12Å; I149-A152 PolarHBondContact O-N 3.13Å; A152-T154 VanDerWaalsContact C-N 3.33Å; A152-T154 PolarHBondContact O-N 3.44Å; A152-S155 PolarHBondContact O-N 3.43Å; A152-L156 VanDerWaalsContact O-CB 3.31Å; A152-L156 WeakPolarHBondContact O-CB 3.32Å; A152-L156 VanDerWaalsContact O-CG 3.26Å; A152-L156 WeakPolarHBondContact O-CG 3.49Å; A152-L156 PolarHBondContact O-N 3.21Å; A152-T169 HydrophobicContact CB-CG2 3.81Å; A152-V172 HydrophobicContact CB-CG1 4.37Å; A152-V173 HydrophobicContact CB-CG2 3.82Å; A152-V398 HydrophobicContact CB-CG2 3.6Å
153R94.6Very high91.7Very high69 Ų6951 Ų5126%0.2624%0.243SC..Hα-helixtrans-59.6-43.3177-178.7-175.3-71.8132.15.5111.6I149 N150 V151 R157 D166 T169I149-R153 WeakPolarHBondContact O-CB 3.32Å; I149-R153 PolarHBondContact O-N 2.95Å; N150-R153 PolarHBondContact OD1-NH1 3.32Å; V151-R153 VanDerWaalsContact C-N 3.32Å; V151-R153 PolarHBondContact O-N 3.13Å; R153-R157 VanDerWaalsContact CD-CZ 3.48Å; R153-R157 HydrophobicContact CG-CG 4.21Å; R153-R157 VanDerWaalsContact CG-NE 3.3Å; R153-R157 VanDerWaalsContact O-CB 3.25Å; R153-R157 WeakPolarHBondContact O-CB 3.13Å; R153-R157 WeakPolarHBondContact O-CG 3.49Å; R153-R157 PolarHBondContact O-N 2.81Å; R153-D166 IonicContact NE-OD1 3.59Å; R153-D166 PolarHBondContact NE-OD1 2.99Å; R153-T169 HydrophobicContact CB-CG2 4.04Å
154T93.1Very high92Very high22 Ų2249.8 Ų49.814%0.13524%0.237CC..Hα-helixtrans-61-49.4179.5-59.10000110.6N150 V151 A152 T158 V494 W495N150-T154 WeakPolarHBondContact O-CB 3.2Å; N150-T154 PolarHBondContact O-N 3.09Å; N150-T154 PolarHBondContact O-OG1 3.47Å; V151-T154 PolarHBondContact O-N 3.35Å; A152-T154 VanDerWaalsContact C-N 3.33Å; A152-T154 PolarHBondContact O-N 3.44Å; T154-T158 WeakPolarHBondContact O-CG2 3.35Å; T154-V494 HydrophobicContact CG2-CG1 3.85Å; T154-W495 WeakPolarHBondContact CG2-O 3.23Å; T154-W495 PolarHBondContact OG1-N 3.49Å
155S93.3Very high92.1Very high5 Ų545.6 Ų45.64%0.03522%0.215CC..Hα-helixtrans-65.4-48.9179.1-172.90000112.2D90 V151 A152 R157 T158D90-S155 PolarHBondContact OD2-OG 2.45Å; V151-S155 PolarHBondContact O-N 3.44Å; V151-S155 VanDerWaalsContact O-N 3.12Å; A152-S155 PolarHBondContact O-N 3.43Å; S155-R157 PolarHBondContact O-N 3.29Å; S155-T158 WeakPolarHBondContact O-CB 3.36Å; S155-T158 PolarHBondContact O-N 3.49Å; S155-T158 VanDerWaalsContact O-N 3.14Å; S155-T158 PolarHBondContact O-OG1 2.98Å
156L93.8Very high92.1Very high0 Ų043.4 Ų43.40%021%0.211CC..Hα-helixtrans-63.4-41.2-177.3-72.6167.6000113.1A152 T158 K159 V160 A165 L168 V172 A390A152-L156 VanDerWaalsContact O-CB 3.31Å; A152-L156 WeakPolarHBondContact O-CB 3.32Å; A152-L156 VanDerWaalsContact O-CG 3.26Å; A152-L156 WeakPolarHBondContact O-CG 3.49Å; A152-L156 PolarHBondContact O-N 3.21Å; L156-T158 PolarHBondContact O-N 3.42Å; L156-T158 VanDerWaalsContact O-N 3.11Å; L156-K159 PolarHBondContact O-N 3.47Å; L156-V160 WeakPolarHBondContact O-CG2 3.45Å; L156-V160 PolarHBondContact O-N 2.89Å; L156-V160 VanDerWaalsContact O-N 3.07Å; L156-A165 HydrophobicContact CB-CB 3.9Å; L156-L168 HydrophobicContact CD1-CB 3.87Å; L156-L168 HydrophobicContact CD2-CB 4.46Å; L156-L168 HydrophobicContact CD2-CD1 4.47Å; L156-V172 HydrophobicContact CD1-CG2 4.3Å; L156-A390 HydrophobicContact CD2-CB 4.2Å; L156-A390 VanDerWaalsContact CD2-O 3.28Å; L156-A390 WeakPolarHBondContact CD2-O 3.41Å
157R92.6Very high92.1Very high88 Ų8839.8 Ų39.833%0.33220%0.196SC..Hα-helixtrans-60.8-21.8178.5-77.6-179.9177.2-170.7-2.8112.7P40 R153 S155 K159 T162 A165 D166P40-R157 WeakPolarHBondContact CA-O 3.37Å; P40-R157 HydrophobicContact CB-CB 4.29Å; P40-R157 WeakPolarHBondContact CB-O 3.45Å; R153-R157 VanDerWaalsContact CD-CZ 3.48Å; R153-R157 HydrophobicContact CG-CG 4.21Å; R153-R157 VanDerWaalsContact CG-NE 3.3Å; R153-R157 VanDerWaalsContact O-CB 3.25Å; R153-R157 WeakPolarHBondContact O-CB 3.13Å; R153-R157 WeakPolarHBondContact O-CG 3.49Å; R153-R157 PolarHBondContact O-N 2.81Å; S155-R157 PolarHBondContact O-N 3.29Å; R157-K159 VanDerWaalsContact C-N 3.32Å; R157-T162 HydrophobicContact CG-CG2 4.5Å; R157-A165 HydrophobicContact CB-CB 4.5Å; R157-A165 HydrophobicContact CG-CB 3.7Å; R157-D166 IonicContact CZ-OD1 3.15Å; R157-D166 IonicContact NE-OD1 2.69Å; R157-D166 PolarHBondContact NE-OD1 3.06Å; R157-D166 IonicContact NH2-OD1 3.67Å; R157-D166 PolarHBondContact NH2-OD1 3.48Å; R157-D166 IonicContact NH2-OD2 2.67Å; R157-D166 PolarHBondContact NH2-OD2 3.47Å; R157-D166 VanDerWaalsContact NH2-OD2 3.16Å
158T91Very high92.2Very high32 Ų3239.5 Ų39.520%0.19619%0.194CC..Hα-helixtrans-71.3-26.2174.571.50000112.9K58 T154 S155 L156K58-T158 WeakPolarHBondContact CD-O 3.17Å; K58-T158 WeakPolarHBondContact CE-O 3.13Å; K58-T158 PolarHBondContact NZ-O 3.45Å; T154-T158 WeakPolarHBondContact O-CG2 3.35Å; S155-T158 WeakPolarHBondContact O-CB 3.36Å; S155-T158 PolarHBondContact O-N 3.49Å; S155-T158 VanDerWaalsContact O-N 3.14Å; S155-T158 PolarHBondContact O-OG1 2.98Å; L156-T158 PolarHBondContact O-N 3.42Å; L156-T158 VanDerWaalsContact O-N 3.11Å
159K89.4Confident92.2Very high17 Ų1739.4 Ų39.47%0.07419%0.194CC..Hα-helixtrans-109.2-34-169.7-52.4-66.2176.4151.50114.1D59 L156 R157 Q386 A390 D393D59-K159 HydrophobicContact CB-CD 4.29Å; D59-K159 VanDerWaalsContact CG-NZ 3.32Å; D59-K159 IonicContact OD1-NZ 3.61Å; D59-K159 PolarHBondContact OD1-NZ 3.12Å; L156-K159 PolarHBondContact O-N 3.47Å; R157-K159 VanDerWaalsContact C-N 3.32Å; K159-Q386 PolarHBondContact O-NE2 3.43Å; K159-A390 HydrophobicContact CB-CB 3.58Å; K159-A390 HydrophobicContact CG-CB 4.17Å; K159-D393 WeakPolarHBondContact CE-OD2 3.37Å; K159-D393 IonicContact NZ-OD2 2.82Å; K159-D393 PolarHBondContact NZ-OD2 2.92Å
160V90.9Very high92.1Very high13 Ų1343.9 Ų43.98%0.07921%0.214CC..SBendtrans-124168.2-176.5-65.40000111.7L156 L164 A165 L168 I387 A390L156-V160 WeakPolarHBondContact O-CG2 3.45Å; L156-V160 PolarHBondContact O-N 2.89Å; L156-V160 VanDerWaalsContact O-N 3.07Å; V160-L164 HydrophobicContact CB-CD2 4.27Å; V160-L164 HydrophobicContact CG1-CD2 4.42Å; V160-A165 HydrophobicContact CG2-CB 3.9Å; V160-L168 HydrophobicContact CG2-CD1 4.29Å; V160-I387 HydrophobicContact CG1-CG1 4.41Å; V160-A390 HydrophobicContact CG1-CB 3.68Å
161H88.8Confident92.1Very high125 Ų12542.5 Ų42.558%0.57921%0.209SC*.  trans-58.4148.5174.6-64.4-67.2000111.5E163 L164 A165H161-E163 PolarHBondContact O-N 3.39Å; H161-L164 PolarHBondContact O-N 3.44Å; H161-A165 WeakPolarHBondContact O-CB 3.43Å; H161-A165 PolarHBondContact O-N 2.88Å
162T89.4Confident92.2Very high79 Ų7942.5 Ų42.549%0.48521%0.208SC..Hα-helixtrans-57.6-44.8-173.643.40000113.3R157 L164 A165 D166R157-T162 HydrophobicContact CG-CG2 4.5Å; T162-L164 PolarHBondContact O-N 2.95Å; T162-A165 WeakPolarHBondContact O-CB 3.28Å; T162-A165 PolarHBondContact O-N 3.45Å; T162-D166 PolarHBondContact O-N 2.96Å
163E89.9Confident92.2Very high169 Ų16942.5 Ų42.579%0.7921%0.208SC*.Hα-helixtrans-63.5-42.5179.4-64.5175.8-175.700111.9H161 D166 L167H161-E163 PolarHBondContact O-N 3.39Å; E163-D166 PolarHBondContact O-N 3.5Å; E163-L167 PolarHBondContact O-N 3.47Å
164L90.5Very high92.2Very high16 Ų1641.3 Ų41.38%0.08421%0.207CC..Hα-helixtrans-69.3-38.1177.1-174.962.8000111.3V160 H161 T162 D166 L167 L168 E201 I387V160-L164 HydrophobicContact CB-CD2 4.27Å; V160-L164 HydrophobicContact CG1-CD2 4.42Å; H161-L164 PolarHBondContact O-N 3.44Å; T162-L164 PolarHBondContact O-N 2.95Å; L164-D166 VanDerWaalsContact C-N 3.32Å; L164-D166 PolarHBondContact O-N 3.32Å; L164-L167 PolarHBondContact O-N 3.35Å; L164-L168 HydrophobicContact CD1-CD1 4.42Å; L164-L168 HydrophobicContact CD1-CG 4.37Å; L164-L168 HydrophobicContact CD2-CD1 4.48Å; L164-L168 HydrophobicContact CG-CD1 3.93Å; L164-L168 HydrophobicContact CG-CG 4.32Å; L164-L168 WeakPolarHBondContact O-CB 3.3Å; L164-L168 VanDerWaalsContact O-CG 3.26Å; L164-L168 WeakPolarHBondContact O-CG 3.42Å; L164-L168 PolarHBondContact O-N 2.81Å; L164-E201 HydrophobicContact CD1-CG 4.44Å; L164-E201 HydrophobicContact CD2-CG 4.26Å; L164-I387 HydrophobicContact CD2-CD1 3.77Å; L164-I387 HydrophobicContact CD2-CG1 3.83Å
165A91.6Very high92.2Very high0 Ų040.3 Ų40.30%020%0.201CC..Hα-helixtrans-58.5-45.8175.400000110.9L156 R157 V160 H161 T162 L167 L168 T169L156-A165 HydrophobicContact CB-CB 3.9Å; R157-A165 HydrophobicContact CB-CB 4.5Å; R157-A165 HydrophobicContact CG-CB 3.7Å; V160-A165 HydrophobicContact CG2-CB 3.9Å; H161-A165 WeakPolarHBondContact O-CB 3.43Å; H161-A165 PolarHBondContact O-N 2.88Å; T162-A165 WeakPolarHBondContact O-CB 3.28Å; T162-A165 PolarHBondContact O-N 3.45Å; A165-L167 VanDerWaalsContact C-N 3.33Å; A165-L167 PolarHBondContact O-N 2.8Å; A165-L168 PolarHBondContact O-N 3.34Å; A165-T169 WeakPolarHBondContact O-CB 3.46Å; A165-T169 PolarHBondContact O-N 3.49Å; A165-T169 PolarHBondContact O-OG1 3.44Å
166D91.4Very high92.2Very high58 Ų5840 Ų4031%0.3120%0.199SC..Hα-helixtrans-64-38.1-178.5-68.5-30.9000111.5R153 R157 T162 E163 L164 T169R153-D166 IonicContact NE-OD1 3.59Å; R153-D166 PolarHBondContact NE-OD1 2.99Å; R157-D166 IonicContact CZ-OD1 3.15Å; R157-D166 IonicContact NE-OD1 2.69Å; R157-D166 PolarHBondContact NE-OD1 3.06Å; R157-D166 IonicContact NH2-OD1 3.67Å; R157-D166 PolarHBondContact NH2-OD1 3.48Å; R157-D166 IonicContact NH2-OD2 2.67Å; R157-D166 PolarHBondContact NH2-OD2 3.47Å; R157-D166 VanDerWaalsContact NH2-OD2 3.16Å; T162-D166 PolarHBondContact O-N 2.96Å; E163-D166 PolarHBondContact O-N 3.5Å; L164-D166 VanDerWaalsContact C-N 3.32Å; L164-D166 PolarHBondContact O-N 3.32Å; D166-T169 PolarHBondContact O-N 3.42Å
167L91.3Very high92.2Very high73 Ų7343.4 Ų43.438%0.38222%0.217SC..Hα-helixtrans-67-43.2173.5-175.3141.2000112.8E163 L164 A165 T169 S202E163-L167 PolarHBondContact O-N 3.47Å; L164-L167 PolarHBondContact O-N 3.35Å; A165-L167 VanDerWaalsContact C-N 3.33Å; A165-L167 PolarHBondContact O-N 2.8Å; L167-T169 VanDerWaalsContact C-N 3.29Å; L167-T169 PolarHBondContact O-N 3.06Å; L167-S202 VanDerWaalsContact CD1-O 3.24Å; L167-S202 WeakPolarHBondContact CD1-O 3.25Å
168L93.4Very high92Very high1 Ų140.9 Ų40.91%0.00522%0.215CC..Hα-helixtrans-69.2-28.5178.7-69.7173.3000112.6L156 V160 L164 A165 E170 A171 V172 T204 I387 V391L156-L168 HydrophobicContact CD1-CB 3.87Å; L156-L168 HydrophobicContact CD2-CB 4.46Å; L156-L168 HydrophobicContact CD2-CD1 4.47Å; V160-L168 HydrophobicContact CG2-CD1 4.29Å; L164-L168 HydrophobicContact CD1-CD1 4.42Å; L164-L168 HydrophobicContact CD1-CG 4.37Å; L164-L168 HydrophobicContact CD2-CD1 4.48Å; L164-L168 HydrophobicContact CG-CD1 3.93Å; L164-L168 HydrophobicContact CG-CG 4.32Å; L164-L168 WeakPolarHBondContact O-CB 3.3Å; L164-L168 VanDerWaalsContact O-CG 3.26Å; L164-L168 WeakPolarHBondContact O-CG 3.42Å; L164-L168 PolarHBondContact O-N 2.81Å; A165-L168 PolarHBondContact O-N 3.34Å; L168-E170 PolarHBondContact O-N 3.11Å; L168-A171 PolarHBondContact O-N 3.46Å; L168-V172 WeakPolarHBondContact O-CB 3.44Å; L168-V172 VanDerWaalsContact O-CG2 3.28Å; L168-V172 WeakPolarHBondContact O-CG2 3.33Å; L168-V172 PolarHBondContact O-N 3.42Å; L168-T204 HydrophobicContact CD2-CG2 3.42Å; L168-T204 VanDerWaalsContact CD2-CG2 3.42Å; L168-I387 HydrophobicContact CD1-CG2 3.88Å; L168-I387 HydrophobicContact CD2-CG2 4.29Å; L168-V391 HydrophobicContact CD1-CG2 4.22Å; L168-V391 HydrophobicContact CD2-CG2 4.05Å
169T94.4Very high92Very high0 Ų040 Ų400%021%0.209CC..Hα-helixtrans-58.3-48.1-175.5-650000111.4I149 A152 R153 A165 D166 L167 A171 V172 V173I149-T169 HydrophobicContact CB-CG2 4.09Å; I149-T169 HydrophobicContact CG1-CG2 4.34Å; I149-T169 HydrophobicContact CG2-CG2 3.65Å; I149-T169 WeakPolarHBondContact O-CG2 3.14Å; A152-T169 HydrophobicContact CB-CG2 3.81Å; R153-T169 HydrophobicContact CB-CG2 4.04Å; A165-T169 WeakPolarHBondContact O-CB 3.46Å; A165-T169 PolarHBondContact O-N 3.49Å; A165-T169 PolarHBondContact O-OG1 3.44Å; D166-T169 PolarHBondContact O-N 3.42Å; L167-T169 VanDerWaalsContact C-N 3.29Å; L167-T169 PolarHBondContact O-N 3.06Å; T169-A171 PolarHBondContact O-N 3.47Å; T169-V172 PolarHBondContact O-N 2.92Å; T169-V173 WeakPolarHBondContact O-CG2 3.28Å; T169-V173 PolarHBondContact O-N 2.82Å; T169-V173 VanDerWaalsContact O-N 3.09Å
170E92.8Very high91.9Very high112 Ų11241.3 Ų41.352%0.52322%0.22SC..Hα-helixtrans-63.5-44.4179.1-62.4-169.7168.300111.4L168 V172 V173 D174L168-E170 PolarHBondContact O-N 3.11Å; E170-V172 PolarHBondContact O-N 3.02Å; E170-V173 PolarHBondContact O-N 3.12Å; E170-D174 WeakPolarHBondContact O-CB 3.41Å; E170-D174 VanDerWaalsContact O-CG 3.3Å; E170-D174 PolarHBondContact O-N 3.45Å
171A94.1Very high91.6Very high12 Ų1243.4 Ų43.410%0.09923%0.228CC..Hα-helixtrans-63-41.2-18000000112.3L168 T169 A175 L206 L374L168-A171 PolarHBondContact O-N 3.46Å; T169-A171 PolarHBondContact O-N 3.47Å; A171-A175 VanDerWaalsContact O-CB 3.23Å; A171-A175 WeakPolarHBondContact O-CB 3.38Å; A171-A175 PolarHBondContact O-N 2.61Å; A171-L206 HydrophobicContact CB-CB 4.06Å; A171-L374 HydrophobicContact CB-CD2 3.67Å
172V95.6Very high91.2Very high1 Ų143.1 Ų43.11%0.00624%0.237CC..Hα-helixtrans-65.5-47.1177.9167.60000110.9A152 L156 L168 T169 E170 A175 V176 L374 V391 L395 V398A152-V172 HydrophobicContact CB-CG1 4.37Å; L156-V172 HydrophobicContact CD1-CG2 4.3Å; L168-V172 WeakPolarHBondContact O-CB 3.44Å; L168-V172 VanDerWaalsContact O-CG2 3.28Å; L168-V172 WeakPolarHBondContact O-CG2 3.33Å; L168-V172 PolarHBondContact O-N 3.42Å; T169-V172 PolarHBondContact O-N 2.92Å; E170-V172 PolarHBondContact O-N 3.02Å; V172-A175 WeakPolarHBondContact O-CB 3.13Å; V172-A175 PolarHBondContact O-N 3.39Å; V172-V176 WeakPolarHBondContact O-CG2 3.34Å; V172-V176 PolarHBondContact O-N 3.36Å; V172-V176 VanDerWaalsContact O-N 3.09Å; V172-L374 HydrophobicContact CG2-CD1 4.48Å; V172-V391 HydrophobicContact CG2-CG1 4.24Å; V172-L395 HydrophobicContact CG1-CD2 3.96Å; V172-L395 HydrophobicContact CG1-CG 4.2Å; V172-V398 HydrophobicContact CG1-CG2 4.07Å
173V95.1Very high90.7Very high0 Ų047.7 Ų47.70%026%0.259CS..Hα-helixtrans-65.5-46.5-179.8173.50000111R145 L148 I149 A152 T169 E170 A175 V176 L177 V398R145-V173 HydrophobicContact CG-CG1 4.04Å; L148-V173 HydrophobicContact CB-CG1 3.89Å; L148-V173 HydrophobicContact CB-CG2 4.1Å; L148-V173 HydrophobicContact CD1-CG1 4.41Å; I149-V173 HydrophobicContact CG1-CB 4.36Å; I149-V173 HydrophobicContact CG1-CG1 4.39Å; I149-V173 HydrophobicContact CG1-CG2 4.01Å; A152-V173 HydrophobicContact CB-CG2 3.82Å; T169-V173 WeakPolarHBondContact O-CG2 3.28Å; T169-V173 PolarHBondContact O-N 2.82Å; T169-V173 VanDerWaalsContact O-N 3.09Å; E170-V173 PolarHBondContact O-N 3.12Å; V173-A175 PolarHBondContact O-N 2.89Å; V173-V176 PolarHBondContact O-N 3.41Å; V173-L177 HydrophobicContact CG1-CD1 3.76Å; V173-L177 HydrophobicContact CG1-CG 4.22Å; V173-L177 WeakPolarHBondContact O-CB 3.37Å; V173-L177 WeakPolarHBondContact O-CG 3.46Å; V173-L177 PolarHBondContact O-N 3.14Å; V173-V398 HydrophobicContact CG2-CG2 4.23Å
174D93.5Very high90.5Very high45 Ų4544.6 Ų44.624%0.24124%0.244CC..Hα-helixtrans-64.8-31.8179-71.3-12.8000111.8R145 E170 A178 L206R145-D174 IonicContact CZ-OD1 3.83Å; R145-D174 VanDerWaalsContact CZ-OD1 3.31Å; R145-D174 IonicContact NE-OD1 2.68Å; R145-D174 PolarHBondContact NE-OD1 3.43Å; R145-D174 VanDerWaalsContact NH2-CG 3.31Å; R145-D174 IonicContact NH2-OD1 3.82Å; R145-D174 PolarHBondContact NH2-OD1 3.44Å; R145-D174 IonicContact NH2-OD2 2.87Å; R145-D174 PolarHBondContact NH2-OD2 3.5Å; R145-D174 VanDerWaalsContact NH2-OD2 3.12Å; E170-D174 WeakPolarHBondContact O-CB 3.41Å; E170-D174 VanDerWaalsContact O-CG 3.3Å; E170-D174 PolarHBondContact O-N 3.45Å; D174-A178 WeakPolarHBondContact O-CB 3.5Å; D174-A178 PolarHBondContact O-N 2.99Å; D174-L206 HydrophobicContact CB-CD2 3.4Å
175A94.1Very high90.3Very high0 Ų048.6 Ų48.60%027%0.271CS..Hα-helixtrans-65-46.3173.700000112A171 V172 V173 A178 I179 V191 L206 V372 L374 L395A171-A175 VanDerWaalsContact O-CB 3.23Å; A171-A175 WeakPolarHBondContact O-CB 3.38Å; A171-A175 PolarHBondContact O-N 2.61Å; V172-A175 WeakPolarHBondContact O-CB 3.13Å; V172-A175 PolarHBondContact O-N 3.39Å; V173-A175 PolarHBondContact O-N 2.89Å; A175-A178 PolarHBondContact O-N 3.46Å; A175-I179 PolarHBondContact O-N 2.98Å; A175-V191 HydrophobicContact CB-CG1 4.21Å; A175-V191 HydrophobicContact CB-CG2 4.37Å; A175-L206 HydrophobicContact CB-CD1 3.81Å; A175-L206 HydrophobicContact CB-CD2 4.48Å; A175-V372 HydrophobicContact CB-CG2 3.89Å; A175-L374 HydrophobicContact CB-CD1 4.09Å; A175-L374 HydrophobicContact CB-CG 4.26Å; A175-L395 HydrophobicContact CB-CD2 4.21Å
176V93.5Very high90.1Very high0 Ų049 Ų490%027%0.274CS..Hα-helixtrans-69.5-37.8179.5-179.70000111.4V172 V173 A178 I179 S180 I186 L395 V398 I402V172-V176 WeakPolarHBondContact O-CG2 3.34Å; V172-V176 PolarHBondContact O-N 3.36Å; V172-V176 VanDerWaalsContact O-N 3.09Å; V173-V176 PolarHBondContact O-N 3.41Å; V176-A178 VanDerWaalsContact C-N 3.31Å; V176-A178 PolarHBondContact O-N 2.96Å; V176-I179 WeakPolarHBondContact O-CG1 3.37Å; V176-I179 PolarHBondContact O-N 2.68Å; V176-S180 WeakPolarHBondContact O-CB 3.24Å; V176-S180 PolarHBondContact O-N 2.78Å; V176-I186 HydrophobicContact CG1-CD1 4.06Å; V176-I186 HydrophobicContact CG1-CG2 4.38Å; V176-L395 HydrophobicContact CG2-CD2 3.58Å; V176-V398 HydrophobicContact CB-CG1 3.86Å; V176-V398 HydrophobicContact CG1-CG1 3.89Å; V176-V398 HydrophobicContact CG2-CB 4.21Å; V176-V398 HydrophobicContact CG2-CG1 4Å; V176-I402 HydrophobicContact CG1-CD1 3.56Å
177L92.1Very high90Very high70 Ų7049.5 Ų49.537%0.36628%0.276SS..Hα-helixtrans-66.3-33.4176-70.9175.9000112.4R145 L148 V173 S180R145-L177 HydrophobicContact CB-CD1 4.5Å; R145-L177 HydrophobicContact CG-CD1 4.12Å; L148-L177 HydrophobicContact CD1-CD2 3.93Å; L148-L177 HydrophobicContact CD1-CG 4.45Å; V173-L177 HydrophobicContact CG1-CD1 3.76Å; V173-L177 HydrophobicContact CG1-CG 4.22Å; V173-L177 WeakPolarHBondContact O-CB 3.37Å; V173-L177 WeakPolarHBondContact O-CG 3.46Å; V173-L177 PolarHBondContact O-N 3.14Å; L177-S180 PolarHBondContact O-N 3.12Å
178A90.3Very high89.9Confident35 Ų3547.7 Ų47.729%0.28927%0.266SS..Hα-helixtrans-68.5-32.8177.600000113.5D174 A175 V176 V372D174-A178 WeakPolarHBondContact O-CB 3.5Å; D174-A178 PolarHBondContact O-N 2.99Å; A175-A178 PolarHBondContact O-N 3.46Å; V176-A178 VanDerWaalsContact C-N 3.31Å; V176-A178 PolarHBondContact O-N 2.96Å; A178-V372 HydrophobicContact CB-CG1 3.68Å
179I89Confident89.7Confident15 Ų1555.5 Ų55.58%0.07730%0.297CS..Hα-helixtrans-86.5-22.2177.864.1174.5000112.5A175 V176 K181 I186 L188 M190 V191 V372A175-I179 PolarHBondContact O-N 2.98Å; V176-I179 WeakPolarHBondContact O-CG1 3.37Å; V176-I179 PolarHBondContact O-N 2.68Å; I179-K181 PolarHBondContact O-N 3.45Å; I179-I186 HydrophobicContact CD1-CG2 3.33Å; I179-I186 HydrophobicContact CG1-CG2 3.9Å; I179-L188 HydrophobicContact CD1-CD2 4.2Å; I179-M190 HydrophobicContact CG2-CB 3.9Å; I179-V191 HydrophobicContact CD1-CG2 3.79Å; I179-V191 HydrophobicContact CG2-CG2 4.02Å; I179-V372 HydrophobicContact CG2-CG2 4.25Å
180S87.3Confident89.5Confident44 Ų4457.1 Ų57.131%0.30831%0.305SS..  trans-65.3131.1-175.3-174.50000111V176 L177V176-S180 WeakPolarHBondContact O-CB 3.24Å; V176-S180 PolarHBondContact O-N 2.78Å; L177-S180 PolarHBondContact O-N 3.12Å
181K84.7Confident89.5Confident56 Ų5652.1 Ų52.124%0.24328%0.282CS..  trans-124.1145.3172.6-64.4175.3-160.4161.10109I179 N183 E184I179-K181 PolarHBondContact O-N 3.45Å; K181-N183 PolarHBondContact O-N 3.49Å; K181-E184 HydrophobicContact CB-CB 4.28Å; K181-E184 WeakPolarHBondContact CD-OE2 3.28Å; K181-E184 IonicContact NZ-OE1 3.23Å; K181-E184 IonicContact NZ-OE2 2.69Å; K181-E184 PolarHBondContact NZ-OE2 3.3Å
182P80.4Confident89.5Confident119 Ų11952 Ų5277%0.77328%0.28SS*.THydrogen-bonded Turntrans-60.9129.8173.126.2-32.7000109.7E184P182-E184 VanDerWaalsContact C-N 3.35Å; P182-E184 PolarHBondContact O-N 2.86Å
183N79.3Confident89.5Confident175 Ų17553.7 Ų53.794%0.93629%0.288SS*.THydrogen-bonded Turntrans68.713.2174.5-50.9-37.8000117.4K181K181-N183 PolarHBondContact O-N 3.49Å
184E86.3Confident89.4Confident104 Ų10454.3 Ų54.349%0.48629%0.291SS..SBendtrans-118.6137.8171.9-164.3178.1169.900109.7K181 P182K181-E184 HydrophobicContact CB-CB 4.28Å; K181-E184 WeakPolarHBondContact CD-OE2 3.28Å; K181-E184 IonicContact NZ-OE1 3.23Å; K181-E184 IonicContact NZ-OE2 2.69Å; K181-E184 PolarHBondContact NZ-OE2 3.3Å; P182-E184 VanDerWaalsContact C-N 3.35Å; P182-E184 PolarHBondContact O-N 2.86Å
185P85.7Confident89.4Confident101 Ų10154.8 Ų54.866%0.65629%0.292SS*.  trans-61.8144.5175.826.3-35000110.9D187P185-D187 PolarHBondContact O-N 3.34Å
186I88.4Confident89.3Confident9 Ų954.9 Ų54.95%0.04629%0.292CS..  trans-77.4119.2-174.7-63.3175.6000109.6V176 I179 L188 K399 I402 E403V176-I186 HydrophobicContact CG1-CD1 4.06Å; V176-I186 HydrophobicContact CG1-CG2 4.38Å; I179-I186 HydrophobicContact CD1-CG2 3.33Å; I179-I186 HydrophobicContact CG1-CG2 3.9Å; I186-L188 HydrophobicContact CG2-CD2 4.25Å; I186-K399 HydrophobicContact CB-CD 4.21Å; I186-K399 HydrophobicContact CB-CG 4.16Å; I186-K399 HydrophobicContact CG2-CD 4.34Å; I186-K399 HydrophobicContact CG2-CG 4.39Å; I186-K399 VanDerWaalsContact O-CE 3.3Å; I186-K399 WeakPolarHBondContact O-CE 3.34Å; I186-K399 PolarHBondContact O-NZ 3.43Å; I186-I402 HydrophobicContact CD1-CB 3.96Å; I186-I402 HydrophobicContact CD1-CD1 3.81Å; I186-I402 HydrophobicContact CD1-CG2 3.79Å; I186-E403 PolarHBondContact N-OE1 3.32Å
187D88.4Confident89.2Confident67 Ų6760.3 Ų60.336%0.35832%0.316SS..  trans-92.9105.8172.8-172.34.8000111.8P185 Y189 M190P185-D187 PolarHBondContact O-N 3.34Å; D187-Y189 PolarHBondContact O-N 3.46Å; D187-Y189 WeakPolarHBondContact OD1-CB 3.44Å; D187-Y189 WeakPolarHBondContact OD1-CD2 3.31Å; D187-Y189 PolarHBondContact OD1-N 3.03Å; D187-M190 HydrophobicContact CB-CG 4.23Å; D187-M190 WeakPolarHBondContact O-CB 3.38Å; D187-M190 PolarHBondContact O-N 3.07Å; D187-M190 WeakPolarHBondContact OD2-CE 3.26Å
188L89.1Confident89.1Confident35 Ų3559.8 Ų59.818%0.18331%0.312CS..G310 helixtrans-68.5-16.3177.3-65179.4000113.3I179 I186 M190 V191 L395 R396 K399I179-L188 HydrophobicContact CD1-CD2 4.2Å; I186-L188 HydrophobicContact CG2-CD2 4.25Å; L188-M190 PolarHBondContact O-N 2.95Å; L188-V191 PolarHBondContact O-N 3.11Å; L188-V191 VanDerWaalsContact O-N 3.08Å; L188-L395 HydrophobicContact CD2-CB 4.18Å; L188-R396 HydrophobicContact CD1-CB 4.33Å; L188-R396 HydrophobicContact CD1-CG 3.49Å; L188-R396 VanDerWaalsContact CD1-CG 3.49Å; L188-K399 HydrophobicContact CD1-CB 4.43Å; L188-K399 HydrophobicContact CD1-CD 3.82Å; L188-K399 HydrophobicContact CD2-CB 4.18Å; L188-K399 HydrophobicContact CD2-CD 4.2Å; L188-K399 HydrophobicContact CG-CD 3.75Å
189Y89.6Confident88.8Confident165 Ų16566.9 Ų66.965%0.64734%0.336SS*.G310 helixtrans-63.9-18.8173.4-70.8-66.4000112.4D187 V191 R323D187-Y189 PolarHBondContact O-N 3.46Å; D187-Y189 WeakPolarHBondContact OD1-CB 3.44Å; D187-Y189 WeakPolarHBondContact OD1-CD2 3.31Å; D187-Y189 PolarHBondContact OD1-N 3.03Å; Y189-V191 VanDerWaalsContact C-N 3.25Å; Y189-V191 PolarHBondContact O-N 3.44Å; Y189-R323 VanDerWaalsContact O-CZ 3.24Å; Y189-R323 PolarHBondContact O-NE 3.26Å; Y189-R323 PolarHBondContact O-NH2 2.95Å
190M90.1Very high88.8Confident34 Ų3469 Ų6917%0.16735%0.35CS..G310 helixtrans-74.9-14.7175.6-58.3-53.515000113.5I179 D187 L188 L326 S371 V372I179-M190 HydrophobicContact CG2-CB 3.9Å; D187-M190 HydrophobicContact CB-CG 4.23Å; D187-M190 WeakPolarHBondContact O-CB 3.38Å; D187-M190 PolarHBondContact O-N 3.07Å; D187-M190 WeakPolarHBondContact OD2-CE 3.26Å; L188-M190 PolarHBondContact O-N 2.95Å; M190-L326 HydrophobicContact CE-CD1 3.82Å; M190-L326 HydrophobicContact CG-CD1 4.37Å; M190-L326 HydrophobicContact SD-CD1 3.25Å; M190-L326 WeakPolarHBondContact SD-CD1 3.41Å; M190-S371 VanDerWaalsContact O-CA 3.32Å; M190-S371 WeakPolarHBondContact O-CA 3.17Å; M190-S371 WeakPolarHBondContact O-CB 3.48Å; M190-S371 PolarHBondContact O-OG 2.96Å; M190-V372 PolarHBondContact O-N 2.86Å
191V93.1Very high88.8Confident7 Ų769.9 Ų69.94%0.04235%0.349CS..EExtended strand (participates in β ladder)trans-91.2108.7168.6-1730000108.4A175 I179 L188 Y189 V372 L374 L395A175-V191 HydrophobicContact CB-CG1 4.21Å; A175-V191 HydrophobicContact CB-CG2 4.37Å; I179-V191 HydrophobicContact CD1-CG2 3.79Å; I179-V191 HydrophobicContact CG2-CG2 4.02Å; L188-V191 PolarHBondContact O-N 3.11Å; L188-V191 VanDerWaalsContact O-N 3.08Å; Y189-V191 VanDerWaalsContact C-N 3.25Å; Y189-V191 PolarHBondContact O-N 3.44Å; V191-V372 WeakPolarHBondContact CA-O 3.42Å; V191-V372 HydrophobicContact CB-CG2 4.47Å; V191-V372 HydrophobicContact CG1-CG2 4.29Å; V191-V372 HydrophobicContact CG2-CG2 4.02Å; V191-L374 HydrophobicContact CG1-CD1 3.82Å; V191-L374 HydrophobicContact CG1-CG 4.15Å; V191-L395 HydrophobicContact CB-CD1 4.3Å; V191-L395 HydrophobicContact CG1-CD1 3.87Å; V191-L395 HydrophobicContact CG1-CD2 4.22Å; V191-L395 HydrophobicContact CG2-CD2 4.4Å
192E93.8Very high88.8Confident10 Ų1070.5 Ų70.55%0.04736%0.361CS..EExtended strand (participates in β ladder)trans-81129170.7-175.3147.1-168.400109.5M194 L210 N320 R323 V372 T373 L374E192-M194 WeakPolarHBondContact OE1-CE 3.31Å; E192-L210 HydrophobicContact CB-CD1 4.23Å; E192-L210 WeakPolarHBondContact OE2-CD1 3.5Å; E192-N320 PolarHBondContact OE1-ND2 2.99Å; E192-N320 PolarHBondContact OE1-OD1 3.41Å; E192-N320 PolarHBondContact OE2-ND2 3.01Å; E192-N320 PolarHBondContact OE2-OD1 2.71Å; E192-R323 VanDerWaalsContact CG-NH1 3.28Å; E192-R323 IonicContact OE1-NH1 2.95Å; E192-R323 PolarHBondContact OE1-NH1 3.3Å; E192-R323 VanDerWaalsContact OE2-CD 3.31Å; E192-R323 WeakPolarHBondContact OE2-CD 3.36Å; E192-R323 IonicContact OE2-CZ 3.8Å; E192-R323 IonicContact OE2-NE 2.81Å; E192-R323 IonicContact OE2-NH1 3.31Å; E192-R323 PolarHBondContact OE2-NH1 2.85Å; E192-V372 PolarHBondContact N-O 3.17Å; E192-T373 HydrophobicContact CB-CG2 4.13Å; E192-T373 HydrophobicContact CG-CG2 4.25Å; E192-T373 CarbonylContact O-C 3.56Å; E192-T373 VanDerWaalsContact O-CA 3.26Å; E192-T373 WeakPolarHBondContact O-CA 3.26Å; E192-L374 PolarHBondContact O-N 3.21Å
193I95.1Very high89.1Confident36 Ų3667.9 Ų67.919%0.18534%0.34CS..EExtended strand (participates in β ladder)trans-101.3108.9168.8-55172000106.5L374 V376 K388 V391 L395I193-L374 WeakPolarHBondContact CA-O 3.45Å; I193-V376 HydrophobicContact CG2-CG2 3.76Å; I193-K388 HydrophobicContact CG2-CB 4.37Å; I193-K388 HydrophobicContact CG2-CD 4.44Å; I193-K388 HydrophobicContact CG2-CG 4.02Å; I193-V391 HydrophobicContact CD1-CB 4.48Å; I193-V391 HydrophobicContact CD1-CG1 3.88Å; I193-V391 HydrophobicContact CG1-CG1 4.26Å; I193-L395 HydrophobicContact CD1-CD1 4.15Å; I193-L395 HydrophobicContact CG1-CD1 4.49Å
194M94.1Very high89.6Confident13 Ų1359.9 Ų59.96%0.06430%0.298CS..EExtended strand (participates in β ladder)trans-101.7132.6177.6-172.75970.200109.3E192 V211 D213 Y360 T373 L374 L375 V376E192-M194 WeakPolarHBondContact OE1-CE 3.31Å; M194-V211 HydrophobicContact CB-CB 4.48Å; M194-V211 VanDerWaalsContact CE-O 3.25Å; M194-V211 WeakPolarHBondContact CE-O 3.35Å; M194-V211 HydrophobicContact CG-CB 4.38Å; M194-V211 HydrophobicContact CG-CG1 4.11Å; M194-D213 HydrophobicContact CE-CB 4.13Å; M194-D213 HydrophobicContact SD-CB 4.09Å; M194-Y360 HydrophobicContact CG-CE1 4.49Å; M194-T373 HydrophobicContact CB-CG2 3.8Å; M194-L374 PolarHBondContact N-O 3.31Å; M194-L375 HydrophobicContact CB-CD1 3.95Å; M194-L375 HydrophobicContact CG-CD1 3.88Å; M194-L375 CarbonylContact O-C 3.59Å; M194-V376 PolarHBondContact O-N 3.02Å
195E93.5Very high89.9Confident55 Ų5559.9 Ų59.926%0.25730%0.298SS..EExtended strand (participates in β ladder)trans-98.8134.1177.2-65.6165.7-137.100109.2V376 L384 K388E195-V376 CarbonylContact C-O 3.56Å; E195-V376 WeakPolarHBondContact CA-O 3.49Å; E195-L384 HydrophobicContact CB-CD2 4.49Å; E195-K388 HydrophobicContact CG-CD 4.28Å; E195-K388 WeakPolarHBondContact OE1-CD 3.36Å; E195-K388 WeakPolarHBondContact OE1-CE 3.47Å; E195-K388 IonicContact OE1-NZ 3.12Å; E195-K388 PolarHBondContact OE1-NZ 2.93Å
196M92.2Very high90.3Very high2 Ų257 Ų571%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-134.5117.1175.5177.7-177.4167.400109.5H198 L355 Y360 L375 V376 K377 G378M196-H198 PolarHBondContact O-N 3.31Å; M196-H198 VanDerWaalsContact O-N 3.09Å; M196-L355 HydrophobicContact CE-CB 4.04Å; M196-L355 HydrophobicContact CE-CD1 3.81Å; M196-L355 HydrophobicContact CE-CD2 3.73Å; M196-L355 HydrophobicContact CE-CG 4.07Å; M196-L355 HydrophobicContact CG-CD2 4.39Å; M196-Y360 HydrophobicContact CB-CE1 4.43Å; M196-Y360 HydrophobicContact CG-CE2 4.13Å; M196-L375 HydrophobicContact CB-CD1 3.81Å; M196-L375 HydrophobicContact SD-CD1 4.44Å; M196-L375 HydrophobicContact SD-CD2 4.18Å; M196-V376 PolarHBondContact N-O 2.89Å; M196-K377 HydrophobicContact CB-CG 4.19Å; M196-K377 HydrophobicContact CG-CG 4.48Å; M196-K377 VanDerWaalsContact O-CA 3.32Å; M196-K377 WeakPolarHBondContact O-CA 3.18Å; M196-K377 HydrophobicContact SD-CD 4.41Å; M196-K377 HydrophobicContact SD-CG 4.34Å; M196-G378 PolarHBondContact O-N 3.21Å
197K90.9Very high90.5Very high115 Ų11556.8 Ų56.850%0.528%0.275SS..EExtended strand (participates in β ladder)trans-68.6109178.2-73.4177.5-176.2170.40109.8L355 G378 L384K197-L355 WeakPolarHBondContact O-CD2 3.21Å; K197-G378 CarbonylContact C-O 3.58Å; K197-G378 WeakPolarHBondContact CA-O 3.47Å; K197-L384 HydrophobicContact CG-CD1 3.66Å
198H88.9Confident90.6Very high59 Ų5959.7 Ų59.727%0.27329%0.285SS..  trans-140.3161.1-178.8-159.961.4000110.3M196 T200 K377 G378 P379M196-H198 PolarHBondContact O-N 3.31Å; M196-H198 VanDerWaalsContact O-N 3.09Å; H198-T200 PolarHBondContact O-N 3.48Å; H198-T200 VanDerWaalsContact O-N 3.08Å; H198-K377 HydrophobicContact CB-CB 4.11Å; H198-K377 HydrophobicContact CB-CD 4.2Å; H198-K377 HydrophobicContact CB-CG 4.26Å; H198-G378 PolarHBondContact N-O 3.17Å; H198-G378 CarbonylContact O-C 3.36Å; H198-P379 WeakPolarHBondContact O-CA 3.47Å
199K85.8Confident90.7Very high184 Ų18458 Ų5880%0.828%0.276SS*.SBendtrans-61.4-25.9-170.6-64.4-178.2-179.1179.30114.3
200T88Confident90.9Very high60 Ų6050.2 Ų50.237%0.36825%0.245SC..  trans-128133.6-168.731.40000110.7H198 D203H198-T200 PolarHBondContact O-N 3.48Å; H198-T200 VanDerWaalsContact O-N 3.08Å; T200-D203 PolarHBondContact OG1-OD2 3.13Å
201E86.4Confident91.1Very high62 Ų6248.6 Ų48.629%0.2924%0.237SC..SBendtrans-77.9-26.317354.4-101.9-148.700114.8L164 D203 T204 K377 P379 I387L164-E201 HydrophobicContact CD1-CG 4.44Å; L164-E201 HydrophobicContact CD2-CG 4.26Å; E201-D203 PolarHBondContact O-N 3.38Å; E201-D203 VanDerWaalsContact O-N 3.15Å; E201-T204 PolarHBondContact O-N 2.87Å; E201-T204 PolarHBondContact O-OG1 3.28Å; E201-K377 VanDerWaalsContact CA-O 3.31Å; E201-K377 WeakPolarHBondContact CA-O 3.31Å; E201-P379 WeakPolarHBondContact OE2-CD 3.46Å; E201-I387 HydrophobicContact CB-CD1 3.73Å
202S86.4Confident91.2Very high69 Ų6948.5 Ų48.548%0.48324%0.236SC..THydrogen-bonded Turntrans-66.8-13.9-177.1-49.40000114.1L167 T204L167-S202 VanDerWaalsContact CD1-O 3.24Å; L167-S202 WeakPolarHBondContact CD1-O 3.25Å; S202-T204 PolarHBondContact O-N 2.87Å
203D87Confident91.1Very high63 Ų6350.2 Ų50.234%0.33725%0.246SC..THydrogen-bonded Turntrans-86.418.1-179.3-64.3-36.7000113.5T200 E201 K377T200-D203 PolarHBondContact OG1-OD2 3.13Å; E201-D203 PolarHBondContact O-N 3.38Å; E201-D203 VanDerWaalsContact O-N 3.15Å; D203-K377 HydrophobicContact CB-CD 3.79Å; D203-K377 WeakPolarHBondContact O-CD 3.19Å; D203-K377 PolarHBondContact O-NZ 3.23Å; D203-K377 VanDerWaalsContact O-NZ 3.13Å
204T89.4Confident90.8Very high8 Ų851.7 Ų51.75%0.04925%0.252CS..  trans-66.9130.6174.6-65.80000109.7L168 E201 S202 L375 V376 K377L168-T204 HydrophobicContact CD2-CG2 3.42Å; L168-T204 VanDerWaalsContact CD2-CG2 3.42Å; E201-T204 PolarHBondContact O-N 2.87Å; E201-T204 PolarHBondContact O-OG1 3.28Å; S202-T204 PolarHBondContact O-N 2.87Å; T204-L375 WeakPolarHBondContact CA-O 3.41Å; T204-L375 WeakPolarHBondContact CG2-O 3.26Å; T204-V376 HydrophobicContact CG2-CG2 4.25Å; T204-K377 PolarHBondContact OG1-N 3.29Å; T204-K377 VanDerWaalsContact OG1-N 3.17Å
205Q91.1Very high90.6Very high104 Ų10451.2 Ų51.249%0.48625%0.251SS..EExtended strand (participates in β ladder)trans-137.5145.9-170.7-71.3172.43.100111.5L375Q205-L375 PolarHBondContact N-O 2.84Å; Q205-L375 VanDerWaalsContact N-O 3.13Å; Q205-L375 PolarHBondContact O-N 3.49Å
206L94.2Very high90.4Very high40 Ų4048.8 Ų48.821%0.20924%0.24CC..EExtended strand (participates in β ladder)trans-84.2124167176.763.4000109.7A171 D174 A175 V372 L374A171-L206 HydrophobicContact CB-CB 4.06Å; D174-L206 HydrophobicContact CB-CD2 3.4Å; A175-L206 HydrophobicContact CB-CD1 3.81Å; A175-L206 HydrophobicContact CB-CD2 4.48Å; L206-V372 HydrophobicContact CD1-CB 4.05Å; L206-V372 HydrophobicContact CD1-CG2 4.19Å; L206-L374 HydrophobicContact CB-CD2 4.02Å; L206-L374 HydrophobicContact CD1-CD2 3.74Å; L206-L374 HydrophobicContact CD1-CG 4.09Å; L206-L374 HydrophobicContact CG-CD2 4.47Å
207I93.6Very high90.2Very high5 Ų555.4 Ų55.43%0.02627%0.265CS..EExtended strand (participates in β ladder)trans-108.1117.4175.8-63.2160.9000107.5G209 V211 F362 E364 T373 L375I207-G209 PolarHBondContact O-N 3.21Å; I207-V211 HydrophobicContact CB-CG2 4.43Å; I207-V211 HydrophobicContact CD1-CG2 3.25Å; I207-V211 HydrophobicContact CG1-CG2 4.42Å; I207-V211 HydrophobicContact CG2-CG2 4.34Å; I207-F362 HydrophobicContact CD1-CD1 3.69Å; I207-F362 HydrophobicContact CD1-CE1 3.43Å; I207-F362 VanDerWaalsContact CD1-CE1 3.43Å; I207-E364 HydrophobicContact CG2-CG 3.87Å; I207-T373 PolarHBondContact N-O 3.08Å; I207-T373 PolarHBondContact O-N 2.72Å; I207-L375 HydrophobicContact CD1-CB 3.67Å; I207-L375 HydrophobicContact CD1-CD2 3.91Å; I207-L375 HydrophobicContact CD1-CG 4.41Å
208K90.9Very high90.2Very high128 Ų12851.6 Ų51.656%0.55725%0.249SC*.SBendtrans-7672.1175-66.2-174.8-179.1-178.70110P369K208-P369 HydrophobicContact CB-CB 4.38Å; K208-P369 HydrophobicContact CB-CG 4.19Å
209G91.3Very high90.3Very high0 Ų054.1 Ų54.10%027%0.27CS..EExtended strand (participates in β ladder)trans159.1-150.3-17600000110.8I207 I363 V372 T373I207-G209 PolarHBondContact O-N 3.21Å; G209-I363 CarbonylContact C-O 3.53Å; G209-I363 VanDerWaalsContact CA-O 3.3Å; G209-I363 WeakPolarHBondContact CA-O 3.46Å; G209-V372 CarbonylContact O-C 3.58Å; G209-V372 WeakPolarHBondContact O-CA 3.35Å; G209-T373 PolarHBondContact O-N 2.95Å; G209-T373 PolarHBondContact O-OG1 3.36Å
210L93.6Very high90.5Very high0 Ų051 Ų510%026%0.263CS..EExtended strand (participates in β ladder)trans-120.3135.8-173.7-158.569.2000112.6E192 L212 N320 R323 L324 I363 T373E192-L210 HydrophobicContact CB-CD1 4.23Å; E192-L210 WeakPolarHBondContact OE2-CD1 3.5Å; L210-L212 HydrophobicContact CD2-CD2 3.73Å; L210-L212 HydrophobicContact CG-CD2 4.27Å; L210-N320 HydrophobicContact CD2-CB 4.01Å; L210-R323 HydrophobicContact CD1-CB 3.92Å; L210-R323 HydrophobicContact CD2-CB 4.26Å; L210-L324 HydrophobicContact CB-CD2 4.18Å; L210-L324 HydrophobicContact CD2-CD1 4.23Å; L210-L324 HydrophobicContact CD2-CD2 3.54Å; L210-L324 HydrophobicContact CD2-CG 3.47Å; L210-L324 VanDerWaalsContact CD2-CG 3.47Å; L210-I363 PolarHBondContact N-O 2.9Å; L210-I363 WeakPolarHBondContact O-CB 3.38Å; L210-I363 PolarHBondContact O-N 2.95Å; L210-T373 VanDerWaalsContact CA-OG1 3.32Å; L210-T373 WeakPolarHBondContact CA-OG1 3.34Å
211V94.6Very high90.6Very high0 Ų048.6 Ų48.60%025%0.247CC..EExtended strand (participates in β ladder)trans-105128.8165.3-174.30000109.5M194 I207 Y360 T361 F362 T373M194-V211 HydrophobicContact CB-CB 4.48Å; M194-V211 VanDerWaalsContact CE-O 3.25Å; M194-V211 WeakPolarHBondContact CE-O 3.35Å; M194-V211 HydrophobicContact CG-CB 4.38Å; M194-V211 HydrophobicContact CG-CG1 4.11Å; I207-V211 HydrophobicContact CB-CG2 4.43Å; I207-V211 HydrophobicContact CD1-CG2 3.25Å; I207-V211 HydrophobicContact CG1-CG2 4.42Å; I207-V211 HydrophobicContact CG2-CG2 4.34Å; V211-Y360 HydrophobicContact CG1-CD1 4.28Å; V211-T361 CarbonylContact C-O 3.56Å; V211-T361 WeakPolarHBondContact CA-O 2.83Å; V211-F362 HydrophobicContact CG1-CE1 4.47Å; V211-F362 HydrophobicContact CG1-CE2 4.3Å; V211-F362 HydrophobicContact CG1-CZ 4.26Å; V211-F362 HydrophobicContact CG2-CD1 3.86Å; V211-F362 HydrophobicContact CG2-CE1 3.92Å; V211-F362 HydrophobicContact CG2-CG 4.43Å; V211-F362 HydrophobicContact CG2-CZ 4.49Å; V211-T373 HydrophobicContact CB-CG2 3.84Å; V211-T373 HydrophobicContact CG2-CG2 3.8Å; V211-T373 PolarHBondContact N-OG1 3.32Å
212L93.9Very high90.8Very high5 Ų550.1 Ų50.13%0.02625%0.253CS..EExtended strand (participates in β ladder)trans-102141.4172.7-58.7177.5000109.7L210 H214 I292 L313 N320 Y360 T361 I363L210-L212 HydrophobicContact CD2-CD2 3.73Å; L210-L212 HydrophobicContact CG-CD2 4.27Å; L212-H214 PolarHBondContact O-N 2.91Å; L212-I292 HydrophobicContact CD1-CD1 4.12Å; L212-I292 HydrophobicContact CD1-CG2 4.22Å; L212-L313 HydrophobicContact CD1-CD1 4.1Å; L212-L313 HydrophobicContact CD1-CD2 4.44Å; L212-N320 HydrophobicContact CD2-CB 3.98Å; L212-N320 VanDerWaalsContact CD2-ND2 3.29Å; L212-N320 WeakPolarHBondContact CD2-ND2 3.18Å; L212-Y360 CarbonylContact O-C 3.28Å; L212-Y360 VanDerWaalsContact O-CA 3.26Å; L212-Y360 WeakPolarHBondContact O-CA 3.36Å; L212-T361 PolarHBondContact N-O 2.97Å; L212-T361 PolarHBondContact O-N 2.9Å; L212-I363 HydrophobicContact CD1-CD1 4.2Å
213D91.5Very high91Very high46 Ų4653.7 Ų53.725%0.24626%0.26CS..SBendtrans-78.48.1177.856.6-20.1000113.6M194 K317 K359M194-D213 HydrophobicContact CE-CB 4.13Å; M194-D213 HydrophobicContact SD-CB 4.09Å; D213-K317 IonicContact OD1-NZ 3.85Å; D213-K317 WeakPolarHBondContact OD2-CE 3.4Å; D213-K317 IonicContact OD2-NZ 3.66Å; D213-K317 PolarHBondContact OD2-NZ 3.46Å; D213-K359 CarbonylContact C-O 3.6Å; D213-K359 VanDerWaalsContact C-O 3.28Å
214H89.5Confident91.3Very high67 Ų6758.1 Ų58.131%0.3127%0.272SS..  trans-134.5150.1-178.9-59.860.2000109.4L212 L313 K359 T361L212-H214 PolarHBondContact O-N 2.91Å; H214-L313 WeakPolarHBondContact O-CD2 3.47Å; H214-K359 CarbonylContact C-O 3.59Å; H214-K359 VanDerWaalsContact C-O 3.25Å; H214-K359 VanDerWaalsContact CA-O 3.28Å; H214-K359 WeakPolarHBondContact CA-O 3.34Å; H214-K359 PolarHBondContact N-O 2.76Å; H214-T361 PolarHBondContact O-OG1 3.29Å
215G89.3Confident91.4Very high4 Ų458.2 Ų58.24%0.04127%0.272CS..  trans-120.7-175.7176.400000113.9R217 E352 K359 T361G215-R217 PolarHBondContact O-N 2.76Å; G215-E352 WeakPolarHBondContact CA-OE2 3.44Å; G215-K359 PolarHBondContact N-O 3.45Å; G215-T361 WeakPolarHBondContact CA-OG1 3.32Å
216A89.8Confident91.4Very high4 Ų458.5 Ų58.53%0.03327%0.274CS..  trans-62.8131172.500000109.9M221 V311 E352 K359A216-M221 HydrophobicContact CB-CB 3.85Å; A216-M221 HydrophobicContact CB-CG 4.49Å; A216-M221 HydrophobicContact CB-SD 3.88Å; A216-V311 HydrophobicContact CB-CG1 4.25Å; A216-E352 WeakPolarHBondContact CB-OE2 3.32Å; A216-E352 PolarHBondContact N-OE2 3.08Å; A216-K359 PolarHBondContact O-NZ 2.88Å
217R88.5Confident91.3Very high140 Ų14059.3 Ų59.353%0.52828%0.278SS..  trans-91.2-26.5-178.8-71.3-68.9-175.6172.1-1.5113.1G215 L302G215-R217 PolarHBondContact O-N 2.76Å; R217-L302 HydrophobicContact CB-CD1 4.28Å
218H91.3Very high91.2Very high36 Ų3659.1 Ų59.117%0.16728%0.277CS..SBendtrans-81.8131.9178.4-161-84.2000110.4D220 M221 L302 D303 A306H218-D220 VanDerWaalsContact C-N 3.3Å; H218-D220 IonicContact CE1-OD2 3.56Å; H218-D220 PolarHBondContact CE1-OD2 3.28Å; H218-D220 VanDerWaalsContact CE1-OD2 3.29Å; H218-D220 PolarHBondContact ND1-N 3.38Å; H218-D220 IonicContact ND1-OD2 3.95Å; H218-D220 PolarHBondContact O-N 3.46Å; H218-M221 HydrophobicContact CB-CE 3.79Å; H218-M221 HydrophobicContact CB-CG 3.88Å; H218-M221 HydrophobicContact CB-SD 3.79Å; H218-M221 PolarHBondContact O-N 3.46Å; H218-L302 HydrophobicContact CB-CB 4.48Å; H218-D303 IonicContact NE2-OD1 3.93Å; H218-A306 HydrophobicContact CB-CB 4.31Å
219P89.5Confident91.3Very high111 Ų11155.3 Ų55.372%0.72126%0.259SS*.THydrogen-bonded Turntrans-59.9-36.6-179.5-25.334.8000114.1M221P219-M221 VanDerWaalsContact C-N 3.27Å; P219-M221 PolarHBondContact O-N 3.39Å
220D90.2Very high91.4Very high120 Ų12055.3 Ų55.364%0.64226%0.26SS*.THydrogen-bonded Turntrans-81-2.6-176.5-56.7-31.5000113.9H218H218-D220 VanDerWaalsContact C-N 3.3Å; H218-D220 IonicContact CE1-OD2 3.56Å; H218-D220 PolarHBondContact CE1-OD2 3.28Å; H218-D220 VanDerWaalsContact CE1-OD2 3.29Å; H218-D220 PolarHBondContact ND1-N 3.38Å; H218-D220 IonicContact ND1-OD2 3.95Å; H218-D220 PolarHBondContact O-N 3.46Å
221M91.6Very high91.4Very high8 Ų855.3 Ų55.34%0.03926%0.26CS..SBendtrans-68.9140.7173.6-79.2173.1-17600110.7A216 H218 P219 K223 L302 L305 A306 A312A216-M221 HydrophobicContact CB-CB 3.85Å; A216-M221 HydrophobicContact CB-CG 4.49Å; A216-M221 HydrophobicContact CB-SD 3.88Å; H218-M221 HydrophobicContact CB-CE 3.79Å; H218-M221 HydrophobicContact CB-CG 3.88Å; H218-M221 HydrophobicContact CB-SD 3.79Å; H218-M221 PolarHBondContact O-N 3.46Å; P219-M221 VanDerWaalsContact C-N 3.27Å; P219-M221 PolarHBondContact O-N 3.39Å; M221-K223 PolarHBondContact O-N 3.11Å; M221-L302 HydrophobicContact CE-CB 4.13Å; M221-L302 HydrophobicContact CE-CD2 3.69Å; M221-L302 VanDerWaalsContact CE-O 3.26Å; M221-L302 WeakPolarHBondContact CE-O 3.24Å; M221-L305 HydrophobicContact CE-CB 4.34Å; M221-A306 HydrophobicContact CE-CB 4.09Å; M221-A306 HydrophobicContact CG-CB 3.87Å; M221-A312 HydrophobicContact CE-CB 3.77Å; M221-A312 HydrophobicContact SD-CB 4.33Å
222K88.9Confident91.4Very high95 Ų9555.5 Ų55.541%0.41326%0.261SS..  trans-58.5127.1177.5-65.8-176.7179.4-178.70109.8V225 V311K222-V225 HydrophobicContact CB-CG2 4.01Å; K222-V311 HydrophobicContact CB-CG2 4.14Å; K222-V311 WeakPolarHBondContact O-CG2 3.48Å
223K91.1Very high91.3Very high143 Ų14355.5 Ų55.562%0.62226%0.261SS*.SBendtrans-77.3-23.2176.5-66.2-178.3-179.5176.70113.2M221 Y351 E352M221-K223 PolarHBondContact O-N 3.11Å; K223-Y351 CarbonylContact O-C 3.25Å; K223-Y351 VanDerWaalsContact O-CA 3.3Å; K223-Y351 WeakPolarHBondContact O-CA 3.16Å; K223-E352 PolarHBondContact O-N 3.02Å
224R93.1Very high91.4Very high157 Ų15755.7 Ų55.759%0.59226%0.262SS*.EExtended strand (participates in β ladder)trans-138133.7179.7178.7172.7171.3160-3.5108.7E226 L349R224-E226 IonicContact CZ-OE1 2.84Å; R224-E226 IonicContact NE-OE1 3.29Å; R224-E226 PolarHBondContact NE-OE1 3Å; R224-E226 VanDerWaalsContact NE-OE1 3.15Å; R224-E226 IonicContact NH2-OE1 3.97Å; R224-E226 PolarHBondContact NH2-OE1 3.49Å; R224-L349 HydrophobicContact CG-CD1 4.08Å
225V91.8Very high91.4Very high9 Ų953.1 Ų53.16%0.05525%0.251CS..EExtended strand (participates in β ladder)trans-134.7118.1-177.4-174.80000107.2K222 A228 V290 V311 V350K222-V225 HydrophobicContact CB-CG2 4.01Å; V225-A228 HydrophobicContact CG1-CB 3.82Å; V225-V290 HydrophobicContact CG1-CG2 4.4Å; V225-V311 HydrophobicContact CG2-CG2 3.53Å; V225-V350 HydrophobicContact CB-CB 4.43Å; V225-V350 PolarHBondContact N-O 3.36Å; V225-V350 PolarHBondContact O-N 3.25Å
226E92.2Very high91.5Very high111 Ų11153.5 Ų53.552%0.51925%0.253SS..EExtended strand (participates in β ladder)trans-95149.3174.1-56.9-169.3163.400108.9R224 A228 G288 L349R224-E226 IonicContact CZ-OE1 2.84Å; R224-E226 IonicContact NE-OE1 3.29Å; R224-E226 PolarHBondContact NE-OE1 3Å; R224-E226 VanDerWaalsContact NE-OE1 3.15Å; R224-E226 IonicContact NH2-OE1 3.97Å; R224-E226 PolarHBondContact NH2-OE1 3.49Å; E226-A228 PolarHBondContact O-N 3.39Å; E226-G288 PolarHBondContact O-N 3.37Å; E226-L349 HydrophobicContact CG-CD1 4.03Å
227D91.6Very high91.5Very high57 Ų5753.4 Ų53.431%0.30525%0.252SS..EExtended strand (participates in β ladder)trans45.863.9-178.1-162.733.5000113.1G288 H346 G348D227-G288 PolarHBondContact O-N 3.22Å; D227-H346 IonicContact OD1-CD2 2.74Å; D227-H346 IonicContact OD1-CE1 3.16Å; D227-H346 IonicContact OD1-NE2 3.48Å; D227-H346 PolarHBondContact OD1-NE2 3.13Å; D227-G348 PolarHBondContact N-O 3.26Å
228A91.3Very high91.5Very high0 Ų048.8 Ų48.80%024%0.236CC..EExtended strand (participates in β ladder)trans-92.4128.7-172.200000112.6V225 E226 V290 A347 V350V225-A228 HydrophobicContact CG1-CB 3.82Å; E226-A228 PolarHBondContact O-N 3.39Å; A228-V290 HydrophobicContact CB-CG2 3.91Å; A228-A347 PolarHBondContact N-O 3.17Å; A228-A347 PolarHBondContact O-N 3.05Å; A228-V350 HydrophobicContact CB-CB 4.39Å; A228-V350 HydrophobicContact CB-CG2 3.78Å
229Y93.1Very high91.1Very high48 Ų4853 Ų5319%0.18825%0.252CS..EExtended strand (participates in β ladder)trans-78130.5158.1-70.3-71.3000110.2V281 K287 G288 F289 V290 L344 G345Y229-V281 HydrophobicContact CD1-CG1 4.39Å; Y229-V281 HydrophobicContact CD2-CG1 3.53Å; Y229-V281 HydrophobicContact CE1-CG1 4.28Å; Y229-V281 HydrophobicContact CE2-CG1 3.35Å; Y229-V281 HydrophobicContact CG-CG1 4.05Å; Y229-K287 HydrophobicContact CE2-CB 4.48Å; Y229-K287 HydrophobicContact CE2-CD 3.58Å; Y229-K287 PolarHBondContact OH-NZ 2.88Å; Y229-G288 PolarHBondContact N-O 3.26Å; Y229-F289 WeakPolarHBondContact O-CA 3.11Å; Y229-V290 PolarHBondContact O-N 2.95Å; Y229-L344 HydrophobicContact CD1-CB 4.14Å; Y229-L344 HydrophobicContact CD1-CD1 4.35Å; Y229-L344 HydrophobicContact CG-CD1 4.31Å; Y229-G345 CarbonylContact C-O 3.58Å; Y229-G345 WeakPolarHBondContact CA-O 3.44Å
230V93Very high90.4Very high1 Ų152.8 Ų52.81%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-109.5112.6-177.5-175.80000109T232 V290 I292 G345 A347V230-T232 HydrophobicContact CG1-CG2 4.27Å; V230-V290 WeakPolarHBondContact CA-O 3.49Å; V230-I292 HydrophobicContact CG1-CD1 3.56Å; V230-I292 HydrophobicContact CG1-CG1 4.16Å; V230-G345 PolarHBondContact N-O 3.03Å; V230-G345 PolarHBondContact O-N 3.43Å; V230-A347 HydrophobicContact CG2-CB 3.87Å
231L94.1Very high89.7Confident0 Ų055.7 Ų55.70%025%0.248CC..EExtended strand (participates in β ladder)trans-93.9117.1171.7178.162.7000109.4C233 I274 F289 V290 V291 I292 M333 L339 L344L231-C233 WeakPolarHBondContact CG-SG 3.32Å; L231-I274 HydrophobicContact CD2-CG1 4.33Å; L231-I274 HydrophobicContact CD2-CG2 4.04Å; L231-F289 HydrophobicContact CB-CE1 4.14Å; L231-F289 HydrophobicContact CB-CZ 3.91Å; L231-F289 HydrophobicContact CD2-CE1 4.29Å; L231-F289 HydrophobicContact CD2-CZ 4.16Å; L231-V290 PolarHBondContact N-O 3.39Å; L231-V291 HydrophobicContact CB-CG2 4.36Å; L231-V291 HydrophobicContact CD2-CG2 4.25Å; L231-V291 WeakPolarHBondContact O-CA 3.34Å; L231-I292 PolarHBondContact O-N 3.45Å; L231-M333 HydrophobicContact CD1-CG 4.47Å; L231-L339 HydrophobicContact CD1-CD2 3.86Å; L231-L339 HydrophobicContact CD2-CD2 4.44Å; L231-L344 HydrophobicContact CB-CD2 3.66Å; L231-L344 HydrophobicContact CD1-CD2 3.82Å; L231-L344 HydrophobicContact CG-CD2 4.27Å
232T93.6Very high89Confident3 Ų359 Ų592%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-100.7119.4173.650.40000109.8V230 I292 M321 L324 I331 A332 M333V230-T232 HydrophobicContact CG1-CG2 4.27Å; T232-I292 WeakPolarHBondContact CA-O 3.42Å; T232-I292 HydrophobicContact CG2-CB 4.49Å; T232-M321 HydrophobicContact CG2-CE 4.41Å; T232-L324 HydrophobicContact CG2-CB 3.8Å; T232-L324 HydrophobicContact CG2-CD1 3.87Å; T232-L324 HydrophobicContact CG2-CG 4.4Å; T232-I331 PolarHBondContact OG1-O 3.39Å; T232-A332 WeakPolarHBondContact OG1-CA 3.31Å; T232-M333 PolarHBondContact O-N 2.99Å
233C92.5Very high88.4Confident5 Ų564.1 Ų64.13%0.03429%0.294CS..EExtended strand (participates in β ladder)trans-129.5154.6-179.4-67.40000111.8L231 I292 N293 Q294 M321 M333L231-C233 WeakPolarHBondContact CG-SG 3.32Å; C233-I292 PolarHBondContact N-O 3.47Å; C233-N293 WeakPolarHBondContact O-CA 3.47Å; C233-N293 PolarHBondContact O-OD1 3.01Å; C233-Q294 PolarHBondContact O-N 2.89Å; C233-M321 WeakPolarHBondContact O-CE 3.26Å; C233-M333 WeakPolarHBondContact CA-O 3.3Å
234N92.7Very high87.9Confident50 Ų5063 Ų6327%0.26730%0.299SS..  trans-117.620.416773.78.9000113.6Q294 K295 M333 N334N234-Q294 HydrophobicContact CB-CB 3.97Å; N234-K295 WeakPolarHBondContact O-CG 3.46Å; N234-M333 PolarHBondContact N-O 3.06Å; N234-M333 PolarHBondContact OD1-O 3.45Å; N234-N334 VanDerWaalsContact CG-OD1 3.28Å; N234-N334 PolarHBondContact ND2-OD1 3.4Å; N234-N334 WeakPolarHBondContact OD1-CA 3.22Å; N234-N334 PolarHBondContact OD1-OD1 3Å
235V90.8Very high87.1Confident14 Ų1463.5 Ų63.59%0.08531%0.313CS..  trans-82.7137179.8-1780000110.3L237 N293 N334 V336V235-L237 PolarHBondContact O-N 3.38Å; V235-N293 VanDerWaalsContact O-CG 3.28Å; V235-N293 PolarHBondContact O-ND2 2.99Å; V235-N293 PolarHBondContact O-OD1 3.29Å; V235-N293 VanDerWaalsContact O-OD1 3.04Å; V235-N334 WeakPolarHBondContact CG2-O 3.48Å; V235-V336 HydrophobicContact CB-CG2 4.15Å; V235-V336 HydrophobicContact CG1-CG2 3.69Å; V235-V336 HydrophobicContact CG2-CG2 3.97Å
236S90.5Very high86.3Confident11 Ų1165.7 Ų65.78%0.07733%0.329CS..  trans-72123.1172.3-165.20000111.6E238 E240 R270S236-E238 PolarHBondContact OG-N 3.32Å; S236-E240 WeakPolarHBondContact CB-OE1 2.94Å; S236-E240 WeakPolarHBondContact OG-CG 3.35Å; S236-E240 PolarHBondContact OG-OE1 3.45Å; S236-R270 PolarHBondContact O-NH1 2.9Å
237L89.5Confident85.5Confident3 Ų363 Ų632%0.01633%0.331CS..BIsolated β-bridgetrans-106.830.5168.6-57.4177000109V235 R270 V271 I274 G296 I297 D298V235-L237 PolarHBondContact O-N 3.38Å; L237-R270 HydrophobicContact CD2-CB 3.96Å; L237-V271 HydrophobicContact CD2-CG2 4.3Å; L237-I274 HydrophobicContact CD1-CD1 3.96Å; L237-I274 HydrophobicContact CD2-CD1 4.3Å; L237-G296 PolarHBondContact N-O 3.44Å; L237-G296 VanDerWaalsContact N-O 3.16Å; L237-I297 HydrophobicContact CB-CB 4.39Å; L237-I297 HydrophobicContact CB-CG1 4.27Å; L237-I297 HydrophobicContact CB-CG2 4.13Å; L237-I297 HydrophobicContact CD1-CD1 4.41Å; L237-I297 HydrophobicContact CD1-CG1 4.21Å; L237-I297 HydrophobicContact CD1-CG2 4.4Å; L237-I297 WeakPolarHBondContact O-CA 3.33Å; L237-D298 PolarHBondContact O-N 3.29Å
238E88.6Confident84.7Confident43 Ų4365.3 Ų65.320%0.20134%0.338CS..SBendtrans-118.6161.4173.9-86.5174.2-160.800109.6S236 E240 G296 I297 D298 R315S236-E238 PolarHBondContact OG-N 3.32Å; E238-E240 PolarHBondContact O-N 2.82Å; E238-E240 VanDerWaalsContact O-N 3.11Å; E238-G296 VanDerWaalsContact OE1-C 3.27Å; E238-G296 WeakPolarHBondContact OE1-CA 2.89Å; E238-I297 VanDerWaalsContact CG-C 3.49Å; E238-I297 PolarHBondContact OE1-N 3.4Å; E238-D298 HydrophobicContact CG-CB 4.17Å; E238-R315 IonicContact OE1-NE 2.75Å; E238-R315 IonicContact OE1-NH2 3.77Å; E238-R315 IonicContact OE2-CZ 3.55Å; E238-R315 IonicContact OE2-NH2 3.1Å; E238-R315 PolarHBondContact OE2-NH2 3.4Å
239Y83.1Confident84.3Confident124 Ų12475 Ų7549%0.48638%0.381SS..  trans-61.9112.7168.7177.9-98.2000110K241 E263Y239-K241 HydrophobicContact CE1-CG 4.16Å; Y239-E263 HydrophobicContact CD2-CB 4.48Å; Y239-E263 HydrophobicContact CE2-CB 4.12Å; Y239-E263 HydrophobicContact CE2-CG 4.22Å; Y239-E263 VanDerWaalsContact CE2-OE2 3.27Å; Y239-E263 WeakPolarHBondContact CE2-OE2 3.1Å; Y239-E263 PolarHBondContact OH-OE1 2.88Å
240E75Confident83.8Confident107 Ų10778 Ų7850%0.539%0.393SS..PPolyproline II helixtrans-96.9127.7177.1-67.5-171.3140.300110.2S236 E238S236-E240 WeakPolarHBondContact CB-OE1 2.94Å; S236-E240 WeakPolarHBondContact OG-CG 3.35Å; S236-E240 PolarHBondContact OG-OE1 3.45Å; E238-E240 PolarHBondContact O-N 2.82Å; E238-E240 VanDerWaalsContact O-N 3.11Å
241K76.3Confident83.5Confident181 Ų18187.9 Ų87.979%0.78744%0.436SS*.PPolyproline II helixtrans-71.4137.8161.9-66-175.5-179-178.90107.7Y239Y239-K241 HydrophobicContact CE1-CG 4.16Å
242T76Confident83.4Confident77 Ų7790.4 Ų90.447%0.47245%0.453SS..PPolyproline II helixtrans-58.2140.1173.653.60000110.7V244 S246T242-V244 VanDerWaalsContact C-N 3.31Å; T242-V244 CarbonylContact C-O 3.49Å; T242-V244 WeakPolarHBondContact CB-O 3.04Å; T242-V244 PolarHBondContact O-N 3.02Å; T242-V244 PolarHBondContact OG1-O 2.95Å; T242-S246 WeakPolarHBondContact CB-OG 2.98Å; T242-S246 WeakPolarHBondContact CG2-OG 3.35Å; T242-S246 PolarHBondContact OG1-OG 3.18Å
243E75.9Confident83.1Confident203 Ų20393.9 Ų93.995%0.94948%0.482SS*.SBendtrans-66.9-35178.5-64.2-173.2160.700112.1
244V81.8Confident82.9Confident118 Ų11895.4 Ų95.472%0.71550%0.499SS*.SBendtrans-78.6136.4166.6-174.40000107.7T242 S246T242-V244 VanDerWaalsContact C-N 3.31Å; T242-V244 CarbonylContact C-O 3.49Å; T242-V244 WeakPolarHBondContact CB-O 3.04Å; T242-V244 PolarHBondContact O-N 3.02Å; T242-V244 PolarHBondContact OG1-O 2.95Å; V244-S246 PolarHBondContact O-N 3.3Å
245N77Confident82.6Confident168 Ų16897.7 Ų97.790%0.89851%0.508SS*.  trans-6279.3173.7-76.1-29000110.7G247N245-G247 PolarHBondContact O-N 2.84Å
246S73.8Confident82.2Confident55 Ų55103.6 Ų103.639%0.38553%0.529SS..  trans-89.2102.4169.8630000108.4T242 V244T242-S246 WeakPolarHBondContact CB-OG 2.98Å; T242-S246 WeakPolarHBondContact CG2-OG 3.35Å; T242-S246 PolarHBondContact OG1-OG 3.18Å; V244-S246 PolarHBondContact O-N 3.3Å
247G75.9Confident82.1Confident54 Ų54110 Ų11056%0.55756%0.557SS**PPolyproline II helixtrans-81.5121.5165.600000109.2N245N245-G247 PolarHBondContact O-N 2.84Å
248F74.8Confident82Confident106 Ų106117.6 Ų117.647%0.46559%0.59SS.*PPolyproline II helixtrans-81.5119.5170.5-64.3-70.5000109.7L259 E263F248-L259 HydrophobicContact CB-CD1 3.69Å; F248-L259 HydrophobicContact CD1-CD1 3.54Å; F248-L259 HydrophobicContact CD1-CG 4.49Å; F248-L259 HydrophobicContact CD2-CD1 4.15Å; F248-L259 HydrophobicContact CD2-CD2 4Å; F248-L259 HydrophobicContact CE1-CD1 4.13Å; F248-L259 HydrophobicContact CE2-CD2 4.06Å; F248-L259 HydrophobicContact CG-CD1 3.53Å; F248-L259 HydrophobicContact CG-CD2 4.24Å; F248-L259 HydrophobicContact CG-CG 4.5Å; F248-L259 HydrophobicContact CZ-CD2 4.34Å; F248-E263 WeakPolarHBondContact CE2-OE1 3.26Å
249F81.6Confident81.7Confident205 Ų205117.7 Ų117.790%0.89959%0.592SS**PPolyproline II helixtrans-98.7119.2171-61.3-82000108.9
250Y84.1Confident81.7Confident110 Ų110114.5 Ų114.543%0.43159%0.585SS.*  trans-120.5143175.549.7-92000109.6R256Y250-R256 HydrophobicContact CD1-CB 4.4Å; Y250-R256 HydrophobicContact CD1-CG 4.47Å; Y250-R256 HydrophobicContact CD2-CB 3.83Å; Y250-R256 HydrophobicContact CD2-CG 4.35Å; Y250-R256 HydrophobicContact CE1-CG 4.15Å; Y250-R256 HydrophobicContact CE2-CB 3.95Å; Y250-R256 HydrophobicContact CE2-CG 4.01Å; Y250-R256 HydrophobicContact CG-CB 4.06Å
251K86.3Confident82.3Confident209 Ų209111.5 Ų111.591%0.90958%0.579SS**SBendtrans-99.1-24.8-179.9-68.6-177.1-179.2178.50112.1E255K251-E255 PolarHBondContact N-OE2 3.3Å
252S91.1Very high82.7Confident52 Ų52105.6 Ų105.636%0.36456%0.563SS.*SBendtrans-123154.2-178.468.90000112.8G254 E255 R256S252-G254 VanDerWaalsContact C-N 3.29Å; S252-G254 PolarHBondContact O-N 3.5Å; S252-E255 PolarHBondContact N-OE2 3.47Å; S252-E255 PolarHBondContact O-N 3.18Å; S252-E255 VanDerWaalsContact OG-CD 3.24Å; S252-E255 VanDerWaalsContact OG-CG 3.23Å; S252-E255 WeakPolarHBondContact OG-CG 3.22Å; S252-E255 PolarHBondContact OG-N 3.33Å; S252-E255 PolarHBondContact OG-OE2 2.81Å; S252-R256 PolarHBondContact O-N 2.93Å
253A87.6Confident83Confident76 Ų76104.1 Ų104.163%0.62855%0.551SS**Hα-helixtrans-62.2-36174.700000112.2E255 R256 E257A253-E255 PolarHBondContact O-N 2.92Å; A253-R256 WeakPolarHBondContact O-CB 3.27Å; A253-R256 PolarHBondContact O-N 3.29Å; A253-E257 PolarHBondContact O-N 2.95Å; A253-E257 VanDerWaalsContact O-N 3.13Å
254G89.7Confident83.4Confident37 Ų37100.3 Ų100.338%0.38153%0.528SS..Hα-helixtrans-67.6-33.2178.600000113.9S252 K258S252-G254 VanDerWaalsContact C-N 3.29Å; S252-G254 PolarHBondContact O-N 3.5Å; G254-K258 WeakPolarHBondContact O-CG 3.1Å; G254-K258 PolarHBondContact O-N 3.44Å
255E86Confident83.7Confident98 Ų98100.5 Ų100.546%0.45852%0.52SS..Hα-helixtrans-65.4-40.3171.9-77.1163.6-174.100111.7K251 S252 A253 E257 K258 L259K251-E255 PolarHBondContact N-OE2 3.3Å; S252-E255 PolarHBondContact N-OE2 3.47Å; S252-E255 PolarHBondContact O-N 3.18Å; S252-E255 VanDerWaalsContact OG-CD 3.24Å; S252-E255 VanDerWaalsContact OG-CG 3.23Å; S252-E255 WeakPolarHBondContact OG-CG 3.22Å; S252-E255 PolarHBondContact OG-N 3.33Å; S252-E255 PolarHBondContact OG-OE2 2.81Å; A253-E255 PolarHBondContact O-N 2.92Å; E255-E257 PolarHBondContact O-N 3.46Å; E255-K258 PolarHBondContact O-N 2.92Å; E255-L259 PolarHBondContact O-N 3.36Å; E255-L259 VanDerWaalsContact O-N 3.09Å
256R82.9Confident84.2Confident139 Ų13997.7 Ų97.753%0.52550%0.5SS..Hα-helixtrans-60.4-45.8176.4-176.1-173.9175.3174.8-3.2111.6Y250 S252 A253 L259 V260Y250-R256 HydrophobicContact CD1-CB 4.4Å; Y250-R256 HydrophobicContact CD1-CG 4.47Å; Y250-R256 HydrophobicContact CD2-CB 3.83Å; Y250-R256 HydrophobicContact CD2-CG 4.35Å; Y250-R256 HydrophobicContact CE1-CG 4.15Å; Y250-R256 HydrophobicContact CE2-CB 3.95Å; Y250-R256 HydrophobicContact CE2-CG 4.01Å; Y250-R256 HydrophobicContact CG-CB 4.06Å; S252-R256 PolarHBondContact O-N 2.93Å; A253-R256 WeakPolarHBondContact O-CB 3.27Å; A253-R256 PolarHBondContact O-N 3.29Å; R256-L259 PolarHBondContact O-N 3.35Å; R256-V260 WeakPolarHBondContact O-CG2 3.02Å; R256-V260 PolarHBondContact O-N 3.09Å; R256-V260 VanDerWaalsContact O-N 3.09Å
257E87.1Confident85Confident144 Ų14495.8 Ų95.867%0.67349%0.485SS*.Hα-helixtrans-63.8-42.3179-73.2-179.3174.400112.4A253 E255 L259 V260 A261A253-E257 PolarHBondContact O-N 2.95Å; A253-E257 VanDerWaalsContact O-N 3.13Å; E255-E257 PolarHBondContact O-N 3.46Å; E257-L259 VanDerWaalsContact C-N 3.29Å; E257-L259 PolarHBondContact O-N 3.2Å; E257-V260 PolarHBondContact O-N 3.33Å; E257-A261 WeakPolarHBondContact O-CB 3.18Å; E257-A261 PolarHBondContact O-N 3.34Å
258K87.1Confident85.6Confident163 Ų16397.8 Ų97.871%0.70948%0.48SS*.Hα-helixtrans-61.6-38176.8-74.2176.6-177.6179.70112.4G254 E255 A261 A262G254-K258 WeakPolarHBondContact O-CG 3.1Å; G254-K258 PolarHBondContact O-N 3.44Å; E255-K258 PolarHBondContact O-N 2.92Å; K258-A261 PolarHBondContact O-N 2.98Å; K258-A262 WeakPolarHBondContact O-CB 3.33Å; K258-A262 PolarHBondContact O-N 3.4Å
259L82.9Confident86.4Confident45 Ų4597.6 Ų97.624%0.23648%0.48CS..Hα-helixtrans-68.7-49179.5-162.3161.1000111.1F248 E255 R256 E257 A261 A262 E263F248-L259 HydrophobicContact CB-CD1 3.69Å; F248-L259 HydrophobicContact CD1-CD1 3.54Å; F248-L259 HydrophobicContact CD1-CG 4.49Å; F248-L259 HydrophobicContact CD2-CD1 4.15Å; F248-L259 HydrophobicContact CD2-CD2 4Å; F248-L259 HydrophobicContact CE1-CD1 4.13Å; F248-L259 HydrophobicContact CE2-CD2 4.06Å; F248-L259 HydrophobicContact CG-CD1 3.53Å; F248-L259 HydrophobicContact CG-CD2 4.24Å; F248-L259 HydrophobicContact CG-CG 4.5Å; F248-L259 HydrophobicContact CZ-CD2 4.34Å; E255-L259 PolarHBondContact O-N 3.36Å; E255-L259 VanDerWaalsContact O-N 3.09Å; R256-L259 PolarHBondContact O-N 3.35Å; E257-L259 VanDerWaalsContact C-N 3.29Å; E257-L259 PolarHBondContact O-N 3.2Å; L259-A261 PolarHBondContact O-N 2.93Å; L259-A262 WeakPolarHBondContact O-CB 3.3Å; L259-A262 PolarHBondContact O-N 3.09Å; L259-E263 VanDerWaalsContact CD2-CD 3.41Å; L259-E263 HydrophobicContact CD2-CG 3.97Å; L259-E263 VanDerWaalsContact CD2-OE1 3.3Å; L259-E263 WeakPolarHBondContact CD2-OE1 3.46Å; L259-E263 PolarHBondContact O-N 3.36Å
260V83.6Confident86.9Confident57 Ų5790.3 Ų90.335%0.34545%0.447SS..Hα-helixtrans-58.1-38.9175174.10000110.9R256 E257 R264R256-V260 WeakPolarHBondContact O-CG2 3.02Å; R256-V260 PolarHBondContact O-N 3.09Å; R256-V260 VanDerWaalsContact O-N 3.09Å; E257-V260 PolarHBondContact O-N 3.33Å; V260-R264 VanDerWaalsContact O-CG 3.31Å; V260-R264 WeakPolarHBondContact O-CG 3.33Å; V260-R264 PolarHBondContact O-N 3.47Å; V260-R264 VanDerWaalsContact O-N 3.12Å
261A86.6Confident87.3Confident44 Ų4485.3 Ų85.336%0.36443%0.428SS..Hα-helixtrans-67.2-37.917500000112.7E257 K258 L259 R264 K265E257-A261 WeakPolarHBondContact O-CB 3.18Å; E257-A261 PolarHBondContact O-N 3.34Å; K258-A261 PolarHBondContact O-N 2.98Å; L259-A261 PolarHBondContact O-N 2.93Å; A261-R264 PolarHBondContact O-N 3.34Å; A261-K265 WeakPolarHBondContact O-CB 3.06Å; A261-K265 VanDerWaalsContact O-CG 3.27Å; A261-K265 WeakPolarHBondContact O-CG 3.34Å; A261-K265 PolarHBondContact O-N 3.48Å
262A85.5Confident87.5Confident57 Ų5780.9 Ų80.947%0.47141%0.41SS..Hα-helixtrans-67.2-41.8177.500000112.4K258 L259 R264 K265 F266K258-A262 WeakPolarHBondContact O-CB 3.33Å; K258-A262 PolarHBondContact O-N 3.4Å; L259-A262 WeakPolarHBondContact O-CB 3.3Å; L259-A262 PolarHBondContact O-N 3.09Å; A262-R264 VanDerWaalsContact C-N 3.32Å; A262-R264 PolarHBondContact O-N 3.01Å; A262-K265 WeakPolarHBondContact O-CB 3.36Å; A262-K265 PolarHBondContact O-N 2.86Å; A262-F266 PolarHBondContact O-N 3.03Å; A262-F266 VanDerWaalsContact O-N 3.11Å
263E81.2Confident87.6Confident47 Ų4782.4 Ų82.422%0.2241%0.41CS..Hα-helixtrans-62.9-40.2174.9-69.7173.5154.700111.6Y239 F248 L259 F266Y239-E263 HydrophobicContact CD2-CB 4.48Å; Y239-E263 HydrophobicContact CE2-CB 4.12Å; Y239-E263 HydrophobicContact CE2-CG 4.22Å; Y239-E263 VanDerWaalsContact CE2-OE2 3.27Å; Y239-E263 WeakPolarHBondContact CE2-OE2 3.1Å; Y239-E263 PolarHBondContact OH-OE1 2.88Å; F248-E263 WeakPolarHBondContact CE2-OE1 3.26Å; L259-E263 VanDerWaalsContact CD2-CD 3.41Å; L259-E263 HydrophobicContact CD2-CG 3.97Å; L259-E263 VanDerWaalsContact CD2-OE1 3.3Å; L259-E263 WeakPolarHBondContact CD2-OE1 3.46Å; L259-E263 PolarHBondContact O-N 3.36Å; E263-F266 WeakPolarHBondContact O-CB 3.47Å; E263-F266 PolarHBondContact O-N 3.38Å
264R84.1Confident87.8Confident123 Ų12378.9 Ų78.946%0.46438%0.381SS..Hα-helixtrans-65.2-45173.7-73.9178.8-177.4-162.90.6112.1V260 A261 A262 F266 I267 E268V260-R264 VanDerWaalsContact O-CG 3.31Å; V260-R264 WeakPolarHBondContact O-CG 3.33Å; V260-R264 PolarHBondContact O-N 3.47Å; V260-R264 VanDerWaalsContact O-N 3.12Å; A261-R264 PolarHBondContact O-N 3.34Å; A262-R264 VanDerWaalsContact C-N 3.32Å; A262-R264 PolarHBondContact O-N 3.01Å; R264-F266 PolarHBondContact O-N 2.95Å; R264-I267 PolarHBondContact O-N 3.21Å; R264-E268 WeakPolarHBondContact O-CG 3.24Å; R264-E268 PolarHBondContact O-N 3.42Å
265K89.4Confident87.9Confident122 Ų12278.1 Ų78.153%0.5337%0.368SS..Hα-helixtrans-54.4-40.1177-81.3177.5179.9-171.50112.1A261 A262 I267 E268 E269A261-K265 WeakPolarHBondContact O-CB 3.06Å; A261-K265 VanDerWaalsContact O-CG 3.27Å; A261-K265 WeakPolarHBondContact O-CG 3.34Å; A261-K265 PolarHBondContact O-N 3.48Å; A262-K265 WeakPolarHBondContact O-CB 3.36Å; A262-K265 PolarHBondContact O-N 2.86Å; K265-I267 VanDerWaalsContact C-N 3.32Å; K265-I267 PolarHBondContact O-N 2.85Å; K265-E268 PolarHBondContact O-N 3.24Å; K265-E269 WeakPolarHBondContact O-CB 3.28Å; K265-E269 VanDerWaalsContact O-CG 3.28Å; K265-E269 WeakPolarHBondContact O-CG 3.46Å; K265-E269 PolarHBondContact O-N 3.31Å
266F87.4Confident88.2Confident109 Ų10975.5 Ų75.548%0.47836%0.363SS..Hα-helixtrans-59.7-40.3177.3179.9-107.6000113.2A262 E263 R264 R270A262-F266 PolarHBondContact O-N 3.03Å; A262-F266 VanDerWaalsContact O-N 3.11Å; E263-F266 WeakPolarHBondContact O-CB 3.47Å; E263-F266 PolarHBondContact O-N 3.38Å; R264-F266 PolarHBondContact O-N 2.95Å; F266-R270 PolarHBondContact O-N 3.5Å
267I89.9Confident88.5Confident15 Ų1569.2 Ų69.28%0.07734%0.34CS..Hα-helixtrans-74.6-42.8176.7-59.2167.9000110.2R264 K265 E269 R270 V271 S301R264-I267 PolarHBondContact O-N 3.21Å; K265-I267 VanDerWaalsContact C-N 3.32Å; K265-I267 PolarHBondContact O-N 2.85Å; I267-E269 VanDerWaalsContact C-N 3.31Å; I267-E269 PolarHBondContact O-N 3.46Å; I267-R270 WeakPolarHBondContact O-CB 3.3Å; I267-R270 PolarHBondContact O-N 3.37Å; I267-R270 VanDerWaalsContact O-N 3.12Å; I267-V271 WeakPolarHBondContact O-CG2 3.27Å; I267-V271 PolarHBondContact O-N 3.44Å; I267-S301 WeakPolarHBondContact CG2-OG 3.31Å
268E89.8Confident88.6Confident95 Ų9563.8 Ų63.844%0.44431%0.314SS..Hα-helixtrans-58.4-41.5176.7-72.7173.3-171.900111.8R264 K265 R270 V271 Q272R264-E268 WeakPolarHBondContact O-CG 3.24Å; R264-E268 PolarHBondContact O-N 3.42Å; K265-E268 PolarHBondContact O-N 3.24Å; E268-R270 VanDerWaalsContact C-N 3.32Å; E268-R270 PolarHBondContact O-N 3.16Å; E268-V271 PolarHBondContact O-N 2.87Å; E268-Q272 VanDerWaalsContact O-CB 3.31Å; E268-Q272 WeakPolarHBondContact O-CB 3.41Å; E268-Q272 WeakPolarHBondContact O-CG 3.34Å; E268-Q272 PolarHBondContact O-N 2.88Å
269E91.1Very high88.6Confident103 Ų10361.6 Ų61.648%0.48131%0.305SS..Hα-helixtrans-60.2-40.6175.7-78.1173.9-166.400111.9K265 I267 Q272 K273K265-E269 WeakPolarHBondContact O-CB 3.28Å; K265-E269 VanDerWaalsContact O-CG 3.28Å; K265-E269 WeakPolarHBondContact O-CG 3.46Å; K265-E269 PolarHBondContact O-N 3.31Å; I267-E269 VanDerWaalsContact C-N 3.31Å; I267-E269 PolarHBondContact O-N 3.46Å; E269-Q272 PolarHBondContact O-N 3.47Å; E269-K273 WeakPolarHBondContact O-CG 3.5Å; E269-K273 PolarHBondContact O-N 3.25Å; E269-K273 VanDerWaalsContact O-N 3.09Å
270R91.3Very high88.8Confident51 Ų5167.2 Ų67.219%0.19233%0.327CS..Hα-helixtrans-64.3-46.3175-70.1176.3174.9-173.6-3.8111.3S236 L237 F266 I267 E268 Q272 K273 I274 V336S236-R270 PolarHBondContact O-NH1 2.9Å; L237-R270 HydrophobicContact CD2-CB 3.96Å; F266-R270 PolarHBondContact O-N 3.5Å; I267-R270 WeakPolarHBondContact O-CB 3.3Å; I267-R270 PolarHBondContact O-N 3.37Å; I267-R270 VanDerWaalsContact O-N 3.12Å; E268-R270 VanDerWaalsContact C-N 3.32Å; E268-R270 PolarHBondContact O-N 3.16Å; R270-Q272 VanDerWaalsContact C-N 3.35Å; R270-K273 PolarHBondContact O-N 2.92Å; R270-I274 PolarHBondContact O-N 3.42Å; R270-V336 HydrophobicContact CB-CG2 4.05Å; R270-V336 HydrophobicContact CG-CG2 3.93Å; R270-V336 WeakPolarHBondContact O-CG1 3.39Å
271V92.1Very high88.9Confident5 Ų565.6 Ų65.63%0.0332%0.317CS..Hα-helixtrans-64.7-40.8178.1177.10000111.2L237 I267 E268 K273 I274 I275 S301 A304 L305L237-V271 HydrophobicContact CD2-CG2 4.3Å; I267-V271 WeakPolarHBondContact O-CG2 3.27Å; I267-V271 PolarHBondContact O-N 3.44Å; E268-V271 PolarHBondContact O-N 2.87Å; V271-K273 VanDerWaalsContact C-N 3.29Å; V271-K273 PolarHBondContact O-N 3.41Å; V271-I274 WeakPolarHBondContact O-CB 3.44Å; V271-I274 PolarHBondContact O-N 2.86Å; V271-I274 VanDerWaalsContact O-N 3.11Å; V271-I275 HydrophobicContact CG1-CD1 3.79Å; V271-I275 HydrophobicContact CG1-CG1 4.32Å; V271-I275 WeakPolarHBondContact O-CG1 3.5Å; V271-I275 PolarHBondContact O-N 2.77Å; V271-S301 VanDerWaalsContact CG2-OG 3.23Å; V271-S301 WeakPolarHBondContact CG2-OG 3.48Å; V271-A304 HydrophobicContact CG1-CB 4.1Å; V271-L305 HydrophobicContact CG1-CD2 4.01Å; V271-L305 HydrophobicContact CG1-CG 4.1Å
272Q92.3Very high88.6Confident116 Ų11664.1 Ų64.154%0.54230%0.304SS..Hα-helixtrans-60.8-36.9176.7-77.1175.115.100112.1E268 E269 R270 I275 A276E268-Q272 VanDerWaalsContact O-CB 3.31Å; E268-Q272 WeakPolarHBondContact O-CB 3.41Å; E268-Q272 WeakPolarHBondContact O-CG 3.34Å; E268-Q272 PolarHBondContact O-N 2.88Å; E269-Q272 PolarHBondContact O-N 3.47Å; R270-Q272 VanDerWaalsContact C-N 3.35Å; Q272-I275 PolarHBondContact O-N 3.26Å; Q272-A276 VanDerWaalsContact O-CB 3.3Å; Q272-A276 WeakPolarHBondContact O-CB 3.27Å; Q272-A276 PolarHBondContact O-N 3.08Å
273K91.9Very high87.8Confident84 Ų8467 Ų6737%0.36532%0.318SS..Hα-helixtrans-62.9-40.8173.5-72.9171.4-176.2171.30112.3E269 R270 V271 A276 L277 V336 D337E269-K273 WeakPolarHBondContact O-CG 3.5Å; E269-K273 PolarHBondContact O-N 3.25Å; E269-K273 VanDerWaalsContact O-N 3.09Å; R270-K273 PolarHBondContact O-N 2.92Å; V271-K273 VanDerWaalsContact C-N 3.29Å; V271-K273 PolarHBondContact O-N 3.41Å; K273-A276 PolarHBondContact O-N 2.99Å; K273-L277 PolarHBondContact O-N 2.87Å; K273-V336 HydrophobicContact CB-CG1 4.02Å; K273-V336 HydrophobicContact CD-CB 4.49Å; K273-D337 IonicContact NZ-OD1 2.67Å; K273-D337 PolarHBondContact NZ-OD1 3.13Å
274I92.1Very high87.1Confident3 Ų367.5 Ų67.52%0.01533%0.327CS..Hα-helixtrans-64.8-44.2174.9-61.4171.4000110.6L231 L237 R270 V271 A276 L277 K278 F289 V291 L305 V336 L339L231-I274 HydrophobicContact CD2-CG1 4.33Å; L231-I274 HydrophobicContact CD2-CG2 4.04Å; L237-I274 HydrophobicContact CD1-CD1 3.96Å; L237-I274 HydrophobicContact CD2-CD1 4.3Å; R270-I274 PolarHBondContact O-N 3.42Å; V271-I274 WeakPolarHBondContact O-CB 3.44Å; V271-I274 PolarHBondContact O-N 2.86Å; V271-I274 VanDerWaalsContact O-N 3.11Å; I274-A276 VanDerWaalsContact C-N 3.32Å; I274-A276 PolarHBondContact O-N 3.42Å; I274-L277 WeakPolarHBondContact O-CB 3.33Å; I274-L277 PolarHBondContact O-N 3.31Å; I274-K278 PolarHBondContact O-N 3.49Å; I274-F289 HydrophobicContact CG2-CE1 4.03Å; I274-V291 HydrophobicContact CG2-CG2 3.82Å; I274-L305 HydrophobicContact CG2-CD2 4.31Å; I274-V336 HydrophobicContact CD1-CG1 4.12Å; I274-V336 HydrophobicContact CG1-CG1 3.59Å; I274-L339 HydrophobicContact CG1-CD1 4.17Å
275I92.3Very high86.4Confident20 Ų2068 Ų6810%0.10334%0.339CS..Hα-helixtrans-63-40.1176.2-65.9167.6000110.8V271 Q272 L277 K278 K279 L305 E308 I310V271-I275 HydrophobicContact CG1-CD1 3.79Å; V271-I275 HydrophobicContact CG1-CG1 4.32Å; V271-I275 WeakPolarHBondContact O-CG1 3.5Å; V271-I275 PolarHBondContact O-N 2.77Å; Q272-I275 PolarHBondContact O-N 3.26Å; I275-L277 VanDerWaalsContact C-N 3.34Å; I275-L277 PolarHBondContact O-N 2.89Å; I275-K278 WeakPolarHBondContact O-CB 3.35Å; I275-K278 PolarHBondContact O-N 2.91Å; I275-K279 HydrophobicContact CG2-CD 4.17Å; I275-K279 WeakPolarHBondContact O-CG 3.33Å; I275-K279 PolarHBondContact O-N 3.29Å; I275-L305 HydrophobicContact CG1-CD2 4.3Å; I275-E308 HydrophobicContact CD1-CG 4.04Å; I275-E308 HydrophobicContact CG1-CG 4.11Å; I275-E308 HydrophobicContact CG2-CG 3.82Å; I275-I310 HydrophobicContact CG1-CD1 4.34Å
276A91.7Very high85.7Confident44 Ų4468.7 Ų68.736%0.36435%0.348SS..Hα-helixtrans-63.4-40176.300000111.5Q272 K273 I274 K279 K280Q272-A276 VanDerWaalsContact O-CB 3.3Å; Q272-A276 WeakPolarHBondContact O-CB 3.27Å; Q272-A276 PolarHBondContact O-N 3.08Å; K273-A276 PolarHBondContact O-N 2.99Å; I274-A276 VanDerWaalsContact C-N 3.32Å; I274-A276 PolarHBondContact O-N 3.42Å; A276-K279 PolarHBondContact O-N 3.15Å; A276-K280 WeakPolarHBondContact O-CG 3.3Å; A276-K280 PolarHBondContact O-N 3.22Å
277L89.6Confident85.4Confident6 Ų667 Ų673%0.03134%0.34CS..Hα-helixtrans-61.8-46.8173-175.170.1000111.1K273 I274 I275 K279 K280 V281 F289 L339 P341 L344K273-L277 PolarHBondContact O-N 2.87Å; I274-L277 WeakPolarHBondContact O-CB 3.33Å; I274-L277 PolarHBondContact O-N 3.31Å; I275-L277 VanDerWaalsContact C-N 3.34Å; I275-L277 PolarHBondContact O-N 2.89Å; L277-K279 VanDerWaalsContact C-N 3.32Å; L277-K279 PolarHBondContact O-N 2.77Å; L277-K280 WeakPolarHBondContact O-CB 3.45Å; L277-K280 PolarHBondContact O-N 3.17Å; L277-K280 VanDerWaalsContact O-N 3.11Å; L277-V281 HydrophobicContact CD1-CG2 4.27Å; L277-V281 HydrophobicContact CG-CG2 4.47Å; L277-V281 WeakPolarHBondContact O-CG2 3.28Å; L277-V281 PolarHBondContact O-N 3.39Å; L277-F289 HydrophobicContact CD2-CE2 4.49Å; L277-F289 HydrophobicContact CD2-CZ 4.1Å; L277-L339 HydrophobicContact CD1-CB 4.44Å; L277-L339 HydrophobicContact CD2-CB 4.12Å; L277-L339 HydrophobicContact CD2-CD1 4.21Å; L277-L339 HydrophobicContact CD2-CD2 4.36Å; L277-L339 HydrophobicContact CD2-CG 4.47Å; L277-P341 HydrophobicContact CD1-CG 4.5Å; L277-L344 HydrophobicContact CD2-CD1 4.24Å; L277-L344 HydrophobicContact CD2-CD2 3.94Å; L277-L344 HydrophobicContact CD2-CG 4.31Å; L277-L344 HydrophobicContact CG-CD1 4.49Å
278K88.4Confident85.4Confident30 Ų3066.6 Ų66.613%0.1334%0.341CS..Hα-helixtrans-55.7-46.1176.2-174.3-126.8173.6-170.10111.5I274 I275 K280 V281 C282 F289 E308 I310I274-K278 PolarHBondContact O-N 3.49Å; I275-K278 WeakPolarHBondContact O-CB 3.35Å; I275-K278 PolarHBondContact O-N 2.91Å; K278-K280 VanDerWaalsContact C-N 3.31Å; K278-K280 PolarHBondContact O-N 3.1Å; K278-V281 PolarHBondContact O-N 3.41Å; K278-C282 PolarHBondContact O-N 3.21Å; K278-F289 HydrophobicContact CB-CD1 4.21Å; K278-F289 HydrophobicContact CB-CD2 4.26Å; K278-F289 HydrophobicContact CB-CE1 4.47Å; K278-F289 HydrophobicContact CB-CG 4.1Å; K278-F289 HydrophobicContact CG-CB 3.73Å; K278-F289 HydrophobicContact CG-CD1 4.19Å; K278-F289 HydrophobicContact CG-CD2 4.16Å; K278-F289 HydrophobicContact CG-CG 3.77Å; K278-E308 VanDerWaalsContact CE-O 3.3Å; K278-E308 WeakPolarHBondContact CE-O 3.46Å; K278-E308 PolarHBondContact NZ-O 3.45Å; K278-I310 HydrophobicContact CB-CD1 3.99Å; K278-I310 HydrophobicContact CD-CD1 3.91Å; K278-I310 HydrophobicContact CD-CG1 3.84Å; K278-I310 HydrophobicContact CG-CD1 4.02Å; K278-I310 HydrophobicContact CG-CG1 4.05Å
279K88.4Confident85.5Confident118 Ų11862.2 Ų62.251%0.51332%0.32SS..Hα-helixtrans-65.4-30.3178.4-72.1177.1-179.2172.80113.4I275 A276 L277 E308I275-K279 HydrophobicContact CG2-CD 4.17Å; I275-K279 WeakPolarHBondContact O-CG 3.33Å; I275-K279 PolarHBondContact O-N 3.29Å; A276-K279 PolarHBondContact O-N 3.15Å; L277-K279 VanDerWaalsContact C-N 3.32Å; L277-K279 PolarHBondContact O-N 2.77Å; K279-E308 WeakPolarHBondContact CE-OE1 3.46Å; K279-E308 WeakPolarHBondContact CE-OE2 3.28Å; K279-E308 IonicContact NZ-OE1 2.77Å; K279-E308 PolarHBondContact NZ-OE1 2.97Å; K279-E308 IonicContact NZ-OE2 2.86Å
280K86.8Confident85.6Confident163 Ų16357.3 Ų57.371%0.70930%0.297SS*.Hα-helixtrans-72.1-39.1174.8-73.7175.2-178.4-1790112.5A276 L277 K278A276-K280 WeakPolarHBondContact O-CG 3.3Å; A276-K280 PolarHBondContact O-N 3.22Å; L277-K280 WeakPolarHBondContact O-CB 3.45Å; L277-K280 PolarHBondContact O-N 3.17Å; L277-K280 VanDerWaalsContact O-N 3.11Å; K278-K280 VanDerWaalsContact C-N 3.31Å; K278-K280 PolarHBondContact O-N 3.1Å
281V85.2Confident85.8Confident22 Ų2254.9 Ų54.913%0.13329%0.288CS..Hα-helixtrans-92.5-32.7-170.9-179.60000112.5Y229 L277 K278 P283 P341 L344Y229-V281 HydrophobicContact CD1-CG1 4.39Å; Y229-V281 HydrophobicContact CD2-CG1 3.53Å; Y229-V281 HydrophobicContact CE1-CG1 4.28Å; Y229-V281 HydrophobicContact CE2-CG1 3.35Å; Y229-V281 HydrophobicContact CG-CG1 4.05Å; L277-V281 HydrophobicContact CD1-CG2 4.27Å; L277-V281 HydrophobicContact CG-CG2 4.47Å; L277-V281 WeakPolarHBondContact O-CG2 3.28Å; L277-V281 PolarHBondContact O-N 3.39Å; K278-V281 PolarHBondContact O-N 3.41Å; V281-P283 VanDerWaalsContact C-CD 3.43Å; V281-P283 VanDerWaalsContact O-CD 3.22Å; V281-P283 WeakPolarHBondContact O-CD 3.45Å; V281-P341 HydrophobicContact CG2-CB 3.89Å; V281-P341 HydrophobicContact CG2-CG 3.97Å; V281-L344 HydrophobicContact CB-CD1 4.35Å; V281-L344 HydrophobicContact CG1-CD1 4.06Å; V281-L344 HydrophobicContact CG2-CD1 3.88Å
282C80.1Confident85.9Confident14 Ų1454.7 Ų54.710%0.09529%0.287CS..  trans-116.280178.5-61.70000111K278 S284 K287K278-C282 PolarHBondContact O-N 3.21Å; C282-S284 VanDerWaalsContact C-N 3.32Å; C282-K287 HydrophobicContact CB-CB 4.25Å; C282-K287 WeakPolarHBondContact SG-CB 3.28Å; C282-K287 PolarHBondContact SG-O 3.21Å; C282-K287 VanDerWaalsContact SG-O 3.4Å
283P68.1Low86Confident117 Ų11749.2 Ų49.276%0.7626%0.261SS*.SBendtrans-75.1-20.5172.728.7-32.6000113.1V281V281-P283 VanDerWaalsContact C-CD 3.43Å; V281-P283 VanDerWaalsContact O-CD 3.22Å; V281-P283 WeakPolarHBondContact O-CD 3.45Å
284S68.2Low86.1Confident58 Ų5847.9 Ų47.941%0.40626%0.256SS..SBendtrans-108.7151.8171.955.20000111.4C282 D286C282-S284 VanDerWaalsContact C-N 3.32Å; S284-D286 PolarHBondContact O-N 2.86Å
285D69Low86.1Confident134 Ų13452.4 Ų52.472%0.71728%0.276SS*.THydrogen-bonded Turntrans-72.5-6.1-178.2-116.2-19.1000113.8K287D285-K287 VanDerWaalsContact C-N 3.33Å
286D74.4Confident86.1Confident135 Ų13551.7 Ų51.772%0.72227%0.273SS*.THydrogen-bonded Turntrans-71.3-26.9-178.7-63.3-33.4000112.9S284S284-D286 PolarHBondContact O-N 2.86Å
287K82.1Confident86.1Confident73 Ų7349.6 Ų49.632%0.31726%0.256SS..SBendtrans-98.8126.3-176.9-66.5-160.7179.7-179.90112.3Y229 C282 D285Y229-K287 HydrophobicContact CE2-CB 4.48Å; Y229-K287 HydrophobicContact CE2-CD 3.58Å; Y229-K287 PolarHBondContact OH-NZ 2.88Å; C282-K287 HydrophobicContact CB-CB 4.25Å; C282-K287 WeakPolarHBondContact SG-CB 3.28Å; C282-K287 PolarHBondContact SG-O 3.21Å; C282-K287 VanDerWaalsContact SG-O 3.4Å; D285-K287 VanDerWaalsContact C-N 3.33Å
288G88.1Confident86.2Confident8 Ų850.4 Ų50.48%0.08226%0.26CS..EExtended strand (participates in β ladder)trans-74.6156177.100000114.6E226 D227 Y229E226-G288 PolarHBondContact O-N 3.37Å; D227-G288 PolarHBondContact O-N 3.22Å; Y229-G288 PolarHBondContact N-O 3.26Å
289F92.5Very high86.3Confident3 Ų353.5 Ų53.51%0.01328%0.284CS..EExtended strand (participates in β ladder)trans-137.6124.9170.3-161.4-91.1000110.4Y229 L231 I274 L277 K278 V291 I310 V311 L344Y229-F289 WeakPolarHBondContact O-CA 3.11Å; L231-F289 HydrophobicContact CB-CE1 4.14Å; L231-F289 HydrophobicContact CB-CZ 3.91Å; L231-F289 HydrophobicContact CD2-CE1 4.29Å; L231-F289 HydrophobicContact CD2-CZ 4.16Å; I274-F289 HydrophobicContact CG2-CE1 4.03Å; L277-F289 HydrophobicContact CD2-CE2 4.49Å; L277-F289 HydrophobicContact CD2-CZ 4.1Å; K278-F289 HydrophobicContact CB-CD1 4.21Å; K278-F289 HydrophobicContact CB-CD2 4.26Å; K278-F289 HydrophobicContact CB-CE1 4.47Å; K278-F289 HydrophobicContact CB-CG 4.1Å; K278-F289 HydrophobicContact CG-CB 3.73Å; K278-F289 HydrophobicContact CG-CD1 4.19Å; K278-F289 HydrophobicContact CG-CD2 4.16Å; K278-F289 HydrophobicContact CG-CG 3.77Å; F289-V291 HydrophobicContact CD1-CG2 4.01Å; F289-V291 HydrophobicContact CE1-CG2 3.61Å; F289-I310 HydrophobicContact CB-CG1 4.35Å; F289-I310 HydrophobicContact CD1-CD1 4.08Å; F289-I310 HydrophobicContact CD1-CG1 4.02Å; F289-I310 HydrophobicContact CD1-CG2 3.91Å; F289-V311 PolarHBondContact O-N 3.49Å; F289-L344 HydrophobicContact CE2-CD1 3.85Å; F289-L344 HydrophobicContact CE2-CD2 3.8Å; F289-L344 HydrophobicContact CZ-CD2 3.89Å
290V94.1Very high86.4Confident0 Ų054.2 Ų54.20%029%0.287CS..EExtended strand (participates in β ladder)trans-125.6129.8-176.2-177.80000108.6V225 A228 Y229 V230 L231 I292 V311 L313 V350V225-V290 HydrophobicContact CG1-CG2 4.4Å; A228-V290 HydrophobicContact CB-CG2 3.91Å; Y229-V290 PolarHBondContact O-N 2.95Å; V230-V290 WeakPolarHBondContact CA-O 3.49Å; L231-V290 PolarHBondContact N-O 3.39Å; V290-I292 HydrophobicContact CG1-CG1 4.13Å; V290-V311 CarbonylContact C-O 3.47Å; V290-V311 WeakPolarHBondContact CA-O 3.38Å; V290-V311 HydrophobicContact CG1-CB 4.33Å; V290-V311 HydrophobicContact CG1-CG1 4.44Å; V290-V311 HydrophobicContact CG2-CB 4.24Å; V290-L313 HydrophobicContact CG1-CD1 4.11Å; V290-V350 HydrophobicContact CG1-CG1 4.45Å; V290-V350 HydrophobicContact CG2-CB 4.17Å; V290-V350 HydrophobicContact CG2-CG1 4.11Å; V290-V350 HydrophobicContact CG2-CG2 4.22Å
291V94.3Very high86.7Confident0 Ų046.8 Ų46.80%026%0.255CS..EExtended strand (participates in β ladder)trans-109.5121.7176.3178.10000108.5L231 I274 F289 I310 V311 A312 L313L231-V291 HydrophobicContact CB-CG2 4.36Å; L231-V291 HydrophobicContact CD2-CG2 4.25Å; L231-V291 WeakPolarHBondContact O-CA 3.34Å; I274-V291 HydrophobicContact CG2-CG2 3.82Å; F289-V291 HydrophobicContact CD1-CG2 4.01Å; F289-V291 HydrophobicContact CE1-CG2 3.61Å; V291-I310 HydrophobicContact CB-CG2 4.33Å; V291-I310 HydrophobicContact CG2-CG2 3.63Å; V291-V311 PolarHBondContact N-O 3.27Å; V291-A312 WeakPolarHBondContact O-CA 3.44Å; V291-L313 PolarHBondContact O-N 3.49Å
292I94.9Very high87Confident0 Ų046.2 Ų46.20%025%0.252CS..EExtended strand (participates in β ladder)trans-113.1106.4175.3-54.6174.3000107.8L212 V230 L231 T232 C233 V290 L313 A316 M321 L324 I363L212-I292 HydrophobicContact CD1-CD1 4.12Å; L212-I292 HydrophobicContact CD1-CG2 4.22Å; V230-I292 HydrophobicContact CG1-CD1 3.56Å; V230-I292 HydrophobicContact CG1-CG1 4.16Å; L231-I292 PolarHBondContact O-N 3.45Å; T232-I292 WeakPolarHBondContact CA-O 3.42Å; T232-I292 HydrophobicContact CG2-CB 4.49Å; C233-I292 PolarHBondContact N-O 3.47Å; V290-I292 HydrophobicContact CG1-CG1 4.13Å; I292-L313 HydrophobicContact CD1-CD1 4.41Å; I292-L313 HydrophobicContact CG1-CB 4.43Å; I292-L313 HydrophobicContact CG1-CD1 3.82Å; I292-L313 HydrophobicContact CG2-CB 4.44Å; I292-A316 HydrophobicContact CG2-CB 3.65Å; I292-M321 HydrophobicContact CG2-SD 4.38Å; I292-L324 HydrophobicContact CB-CD1 4.18Å; I292-L324 HydrophobicContact CD1-CD1 3.58Å; I292-L324 HydrophobicContact CD1-CD2 3.82Å; I292-L324 HydrophobicContact CD1-CG 4.35Å; I292-L324 HydrophobicContact CG1-CD1 4.47Å; I292-L324 HydrophobicContact CG2-CD1 3.71Å; I292-I363 HydrophobicContact CD1-CD1 3.54Å
293N94.1Very high87.7Confident1 Ų147.9 Ų47.91%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-103.3131.4-179.2-167.411.3000111.4C233 V235 K295 G296 I297 L313 R314 R315 A316C233-N293 WeakPolarHBondContact O-CA 3.47Å; C233-N293 PolarHBondContact O-OD1 3.01Å; V235-N293 VanDerWaalsContact O-CG 3.28Å; V235-N293 PolarHBondContact O-ND2 2.99Å; V235-N293 PolarHBondContact O-OD1 3.29Å; V235-N293 VanDerWaalsContact O-OD1 3.04Å; N293-K295 VanDerWaalsContact C-N 3.29Å; N293-K295 PolarHBondContact ND2-O 3.46Å; N293-K295 PolarHBondContact OD1-N 3.32Å; N293-G296 PolarHBondContact ND2-O 2.75Å; N293-G296 VanDerWaalsContact ND2-O 3.16Å; N293-I297 HydrophobicContact CB-CD1 4.13Å; N293-I297 HydrophobicContact CB-CG1 4.25Å; N293-L313 WeakPolarHBondContact CB-O 3.17Å; N293-L313 PolarHBondContact N-O 3.37Å; N293-R314 CarbonylContact O-C 2.87Å; N293-R315 PolarHBondContact O-N 2.84Å; N293-A316 PolarHBondContact O-N 2.73Å
294Q93.1Very high88.8Confident57 Ų5743.9 Ų43.927%0.26624%0.236SC..SBendtrans-67.9-32.9169.6-169-169.1-13.800111.5C233 N234 R315 A316 M321C233-Q294 PolarHBondContact O-N 2.89Å; N234-Q294 HydrophobicContact CB-CB 3.97Å; Q294-R315 WeakPolarHBondContact O-CA 3.39Å; Q294-A316 WeakPolarHBondContact CG-O 3.48Å; Q294-M321 HydrophobicContact CB-CE 4.41Å; Q294-M321 HydrophobicContact CB-CG 4.33Å; Q294-M321 HydrophobicContact CB-SD 4.36Å
295K92.6Very high90Very high98 Ų9841.1 Ų41.143%0.42622%0.217SC..SBendtrans-90.6-178.8178.5-62.1-68.3-176.3166.30110.8N234 N293 R315N234-K295 WeakPolarHBondContact O-CG 3.46Å; N293-K295 VanDerWaalsContact C-N 3.29Å; N293-K295 PolarHBondContact ND2-O 3.46Å; N293-K295 PolarHBondContact OD1-N 3.32Å; K295-R315 PolarHBondContact O-N 2.81Å
296G91.8Very high91.1Very high5 Ų535.1 Ų35.15%0.05219%0.186CC..  trans-71.5162.8178.300000113.9L237 E238 N293L237-G296 PolarHBondContact N-O 3.44Å; L237-G296 VanDerWaalsContact N-O 3.16Å; E238-G296 VanDerWaalsContact OE1-C 3.27Å; E238-G296 WeakPolarHBondContact OE1-CA 2.89Å; N293-G296 PolarHBondContact ND2-O 2.75Å; N293-G296 VanDerWaalsContact ND2-O 3.16Å
297I93.1Very high91.9Very high0 Ų036 Ų360%018%0.184CC..BIsolated β-bridgetrans-134.3125.4171-50178.7000107.5L237 E238 N293 L302 A312 R314L237-I297 HydrophobicContact CB-CB 4.39Å; L237-I297 HydrophobicContact CB-CG1 4.27Å; L237-I297 HydrophobicContact CB-CG2 4.13Å; L237-I297 HydrophobicContact CD1-CD1 4.41Å; L237-I297 HydrophobicContact CD1-CG1 4.21Å; L237-I297 HydrophobicContact CD1-CG2 4.4Å; L237-I297 WeakPolarHBondContact O-CA 3.33Å; E238-I297 VanDerWaalsContact CG-C 3.49Å; E238-I297 PolarHBondContact OE1-N 3.4Å; N293-I297 HydrophobicContact CB-CD1 4.13Å; N293-I297 HydrophobicContact CB-CG1 4.25Å; I297-L302 HydrophobicContact CB-CD2 4.02Å; I297-L302 HydrophobicContact CB-CG 4.24Å; I297-L302 HydrophobicContact CD1-CD2 4.4Å; I297-L302 HydrophobicContact CG2-CD2 3.69Å; I297-L302 HydrophobicContact CG2-CG 3.76Å; I297-A312 HydrophobicContact CD1-CB 3.83Å; I297-R314 HydrophobicContact CB-CB 4.09Å; I297-R314 HydrophobicContact CD1-CB 4.06Å; I297-R314 HydrophobicContact CG1-CB 3.74Å
298D91.6Very high92.3Very high23 Ų2335.2 Ų35.212%0.12318%0.181CC..  trans-75.3158.5-179.677.4-80.8000112.3L237 E238 F300 S301 L302L237-D298 PolarHBondContact O-N 3.29Å; E238-D298 HydrophobicContact CG-CB 4.17Å; D298-F300 VanDerWaalsContact C-N 3.33Å; D298-F300 PolarHBondContact O-N 2.76Å; D298-F300 WeakPolarHBondContact OD2-CA 3.48Å; D298-F300 VanDerWaalsContact OD2-CB 3.3Å; D298-F300 WeakPolarHBondContact OD2-CB 3.41Å; D298-F300 PolarHBondContact OD2-N 3.45Å; D298-S301 PolarHBondContact O-N 2.85Å; D298-S301 WeakPolarHBondContact OD1-CB 3.33Å; D298-S301 PolarHBondContact OD1-OG 3.38Å; D298-S301 PolarHBondContact OD2-N 3.32Å; D298-L302 WeakPolarHBondContact O-CG 3.37Å; D298-L302 PolarHBondContact O-N 3.35Å
299P91Very high92.3Very high95 Ų9535.7 Ų35.762%0.61719%0.186SC*.Hα-helixtrans-59.4-34.5-178.3-26.636.3000115.3L302 D303P299-L302 PolarHBondContact O-N 3.47Å; P299-D303 PolarHBondContact O-N 3.33Å
300F90.1Very high92.2Very high133 Ų13335.5 Ų35.558%0.58319%0.185SC*.Hα-helixtrans-72.5-40.3178.9-69.4-83.9000110.9D298 L302 D303 A304D298-F300 VanDerWaalsContact C-N 3.33Å; D298-F300 PolarHBondContact O-N 2.76Å; D298-F300 WeakPolarHBondContact OD2-CA 3.48Å; D298-F300 VanDerWaalsContact OD2-CB 3.3Å; D298-F300 WeakPolarHBondContact OD2-CB 3.41Å; D298-F300 PolarHBondContact OD2-N 3.45Å; F300-L302 VanDerWaalsContact C-N 3.31Å; F300-L302 PolarHBondContact O-N 2.92Å; F300-D303 PolarHBondContact O-N 3.38Å; F300-A304 PolarHBondContact O-N 3.25Å
301S92.3Very high92.2Very high6 Ų635.9 Ų35.94%0.04219%0.187CC..Hα-helixtrans-62.1-39.1171.2-66.30000112.1I267 V271 D298 A304 L305I267-S301 WeakPolarHBondContact CG2-OG 3.31Å; V271-S301 VanDerWaalsContact CG2-OG 3.23Å; V271-S301 WeakPolarHBondContact CG2-OG 3.48Å; D298-S301 PolarHBondContact O-N 2.85Å; D298-S301 WeakPolarHBondContact OD1-CB 3.33Å; D298-S301 PolarHBondContact OD1-OG 3.38Å; D298-S301 PolarHBondContact OD2-N 3.32Å; S301-A304 PolarHBondContact O-N 2.95Å; S301-L305 WeakPolarHBondContact O-CB 3.36Å; S301-L305 VanDerWaalsContact O-CG 3.24Å; S301-L305 WeakPolarHBondContact O-CG 3.23Å; S301-L305 PolarHBondContact O-N 3.25Å
302L92.9Very high92.2Very high11 Ų1136 Ų366%0.05819%0.188CC..Hα-helixtrans-62.1-43.1174.8-71.8173.7000111.7R217 H218 M221 I297 D298 P299 F300 L305 A306 A312R217-L302 HydrophobicContact CB-CD1 4.28Å; H218-L302 HydrophobicContact CB-CB 4.48Å; M221-L302 HydrophobicContact CE-CB 4.13Å; M221-L302 HydrophobicContact CE-CD2 3.69Å; M221-L302 VanDerWaalsContact CE-O 3.26Å; M221-L302 WeakPolarHBondContact CE-O 3.24Å; I297-L302 HydrophobicContact CB-CD2 4.02Å; I297-L302 HydrophobicContact CB-CG 4.24Å; I297-L302 HydrophobicContact CD1-CD2 4.4Å; I297-L302 HydrophobicContact CG2-CD2 3.69Å; I297-L302 HydrophobicContact CG2-CG 3.76Å; D298-L302 WeakPolarHBondContact O-CG 3.37Å; D298-L302 PolarHBondContact O-N 3.35Å; P299-L302 PolarHBondContact O-N 3.47Å; F300-L302 VanDerWaalsContact C-N 3.31Å; F300-L302 PolarHBondContact O-N 2.92Å; L302-L305 PolarHBondContact O-N 3.28Å; L302-A306 WeakPolarHBondContact O-CB 2.84Å; L302-A306 PolarHBondContact O-N 3.1Å; L302-A312 HydrophobicContact CD2-CB 3.99Å
303D93.1Very high92.1Very high48 Ų4836.2 Ų36.226%0.25719%0.189SC..Hα-helixtrans-63.9-43.9175.918036.7000111.5H218 P299 F300 L305 A306 K307H218-D303 IonicContact NE2-OD1 3.93Å; P299-D303 PolarHBondContact O-N 3.33Å; F300-D303 PolarHBondContact O-N 3.38Å; D303-L305 PolarHBondContact O-N 2.64Å; D303-A306 PolarHBondContact O-N 2.88Å; D303-K307 WeakPolarHBondContact O-CG 3.16Å; D303-K307 PolarHBondContact O-N 2.84Å; D303-K307 WeakPolarHBondContact OD1-CE 3.3Å; D303-K307 IonicContact OD1-NZ 3.58Å; D303-K307 WeakPolarHBondContact OD2-CE 3.41Å; D303-K307 IonicContact OD2-NZ 2.69Å; D303-K307 PolarHBondContact OD2-NZ 2.96Å
304A92.6Very high92.1Very high33 Ų3340 Ų4027%0.27320%0.203SC..Hα-helixtrans-60.9-43176.100000112.6V271 F300 S301 E308V271-A304 HydrophobicContact CG1-CB 4.1Å; F300-A304 PolarHBondContact O-N 3.25Å; S301-A304 PolarHBondContact O-N 2.95Å; A304-E308 PolarHBondContact O-N 3.04Å
305L92.6Very high92Very high0 Ų044 Ų440%022%0.216CC..Hα-helixtrans-69.2-38.2176-68.7172000111.8M221 V271 I274 I275 S301 L302 D303 E308 G309 I310 A312M221-L305 HydrophobicContact CE-CB 4.34Å; V271-L305 HydrophobicContact CG1-CD2 4.01Å; V271-L305 HydrophobicContact CG1-CG 4.1Å; I274-L305 HydrophobicContact CG2-CD2 4.31Å; I275-L305 HydrophobicContact CG1-CD2 4.3Å; S301-L305 WeakPolarHBondContact O-CB 3.36Å; S301-L305 VanDerWaalsContact O-CG 3.24Å; S301-L305 WeakPolarHBondContact O-CG 3.23Å; S301-L305 PolarHBondContact O-N 3.25Å; L302-L305 PolarHBondContact O-N 3.28Å; D303-L305 PolarHBondContact O-N 2.64Å; L305-E308 CarbonylContact O-C 3.47Å; L305-E308 PolarHBondContact O-N 3.08Å; L305-G309 PolarHBondContact O-N 3.15Å; L305-I310 HydrophobicContact CB-CB 4.21Å; L305-I310 HydrophobicContact CB-CG2 4.5Å; L305-I310 HydrophobicContact CD2-CB 4.27Å; L305-I310 HydrophobicContact CD2-CD1 3.71Å; L305-I310 HydrophobicContact CD2-CG2 4.19Å; L305-I310 WeakPolarHBondContact O-CB 3.29Å; L305-I310 PolarHBondContact O-N 3.29Å; L305-A312 HydrophobicContact CB-CB 4.44Å; L305-A312 HydrophobicContact CD1-CB 3.64Å
306A92.3Very high92Very high8 Ų839.9 Ų39.97%0.06620%0.2CC..Hα-helixtrans-65.9-40.2178.200000112.5H218 M221 L302 D303 E308 G309H218-A306 HydrophobicContact CB-CB 4.31Å; M221-A306 HydrophobicContact CE-CB 4.09Å; M221-A306 HydrophobicContact CG-CB 3.87Å; L302-A306 WeakPolarHBondContact O-CB 2.84Å; L302-A306 PolarHBondContact O-N 3.1Å; D303-A306 PolarHBondContact O-N 2.88Å; A306-E308 PolarHBondContact O-N 3.47Å; A306-G309 WeakPolarHBondContact O-CA 3.33Å; A306-G309 PolarHBondContact O-N 3.05Å
307K91.4Very high92.1Very high155 Ų15544.2 Ų44.267%0.67422%0.218SC*.Hα-helixtrans-58.9-35.4173.9-76.5170.7-174.8157.10112.7D303 G309D303-K307 WeakPolarHBondContact O-CG 3.16Å; D303-K307 PolarHBondContact O-N 2.84Å; D303-K307 WeakPolarHBondContact OD1-CE 3.3Å; D303-K307 IonicContact OD1-NZ 3.58Å; D303-K307 WeakPolarHBondContact OD2-CE 3.41Å; D303-K307 IonicContact OD2-NZ 2.69Å; D303-K307 PolarHBondContact OD2-NZ 2.96Å; K307-G309 PolarHBondContact O-N 3.3Å
308E89.6Confident92Very high55 Ų5552.4 Ų52.426%0.25725%0.249SC..THydrogen-bonded Turntrans-85.97.3174.7-65.1-77.117500111.7I275 K278 K279 A304 L305 A306 I310I275-E308 HydrophobicContact CD1-CG 4.04Å; I275-E308 HydrophobicContact CG1-CG 4.11Å; I275-E308 HydrophobicContact CG2-CG 3.82Å; K278-E308 VanDerWaalsContact CE-O 3.3Å; K278-E308 WeakPolarHBondContact CE-O 3.46Å; K278-E308 PolarHBondContact NZ-O 3.45Å; K279-E308 WeakPolarHBondContact CE-OE1 3.46Å; K279-E308 WeakPolarHBondContact CE-OE2 3.28Å; K279-E308 IonicContact NZ-OE1 2.77Å; K279-E308 PolarHBondContact NZ-OE1 2.97Å; K279-E308 IonicContact NZ-OE2 2.86Å; A304-E308 PolarHBondContact O-N 3.04Å; L305-E308 CarbonylContact O-C 3.47Å; L305-E308 PolarHBondContact O-N 3.08Å; A306-E308 PolarHBondContact O-N 3.47Å; E308-I310 HydrophobicContact CB-CD1 4.31Å; E308-I310 HydrophobicContact CB-CG1 4.37Å; E308-I310 PolarHBondContact O-N 2.93Å
309G87.9Confident91.9Very high18 Ų1859.4 Ų59.419%0.18627%0.273CS..THydrogen-bonded Turntrans65.121177.900000114.8L305 A306 K307L305-G309 PolarHBondContact O-N 3.15Å; A306-G309 WeakPolarHBondContact O-CA 3.33Å; A306-G309 PolarHBondContact O-N 3.05Å; K307-G309 PolarHBondContact O-N 3.3Å
310I92.2Very high92Very high0 Ų054.9 Ų54.90%024%0.244CC..  trans-84.9128175.9-63.3171.3000109I275 K278 F289 V291 L305 E308 A312I275-I310 HydrophobicContact CG1-CD1 4.34Å; K278-I310 HydrophobicContact CB-CD1 3.99Å; K278-I310 HydrophobicContact CD-CD1 3.91Å; K278-I310 HydrophobicContact CD-CG1 3.84Å; K278-I310 HydrophobicContact CG-CD1 4.02Å; K278-I310 HydrophobicContact CG-CG1 4.05Å; F289-I310 HydrophobicContact CB-CG1 4.35Å; F289-I310 HydrophobicContact CD1-CD1 4.08Å; F289-I310 HydrophobicContact CD1-CG1 4.02Å; F289-I310 HydrophobicContact CD1-CG2 3.91Å; V291-I310 HydrophobicContact CB-CG2 4.33Å; V291-I310 HydrophobicContact CG2-CG2 3.63Å; L305-I310 HydrophobicContact CB-CB 4.21Å; L305-I310 HydrophobicContact CB-CG2 4.5Å; L305-I310 HydrophobicContact CD2-CB 4.27Å; L305-I310 HydrophobicContact CD2-CD1 3.71Å; L305-I310 HydrophobicContact CD2-CG2 4.19Å; L305-I310 WeakPolarHBondContact O-CB 3.29Å; L305-I310 PolarHBondContact O-N 3.29Å; E308-I310 HydrophobicContact CB-CD1 4.31Å; E308-I310 HydrophobicContact CB-CG1 4.37Å; E308-I310 PolarHBondContact O-N 2.93Å; I310-A312 PolarHBondContact O-N 3.2Å
311V93.2Very high91.9Very high8 Ų849 Ų495%0.04822%0.219CC..EExtended strand (participates in β ladder)trans-81.3118171.5178.70000108.6A216 K222 V225 F289 V290 V291A216-V311 HydrophobicContact CB-CG1 4.25Å; K222-V311 HydrophobicContact CB-CG2 4.14Å; K222-V311 WeakPolarHBondContact O-CG2 3.48Å; V225-V311 HydrophobicContact CG2-CG2 3.53Å; F289-V311 PolarHBondContact O-N 3.49Å; V290-V311 CarbonylContact C-O 3.47Å; V290-V311 WeakPolarHBondContact CA-O 3.38Å; V290-V311 HydrophobicContact CG1-CB 4.33Å; V290-V311 HydrophobicContact CG1-CG1 4.44Å; V290-V311 HydrophobicContact CG2-CB 4.24Å; V291-V311 PolarHBondContact N-O 3.27Å
312A93.8Very high91.8Very high2 Ų253.7 Ų53.72%0.01724%0.239CC..EExtended strand (participates in β ladder)trans-113.4121.5-178.100000111.5M221 V291 I297 L302 L305 I310M221-A312 HydrophobicContact CE-CB 3.77Å; M221-A312 HydrophobicContact SD-CB 4.33Å; V291-A312 WeakPolarHBondContact O-CA 3.44Å; I297-A312 HydrophobicContact CD1-CB 3.83Å; L302-A312 HydrophobicContact CD2-CB 3.99Å; L305-A312 HydrophobicContact CB-CB 4.44Å; L305-A312 HydrophobicContact CD1-CB 3.64Å; I310-A312 PolarHBondContact O-N 3.2Å
313L93.9Very high91.8Very high4 Ų454.4 Ų54.42%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-104.7131174.7-73139.6000109L212 H214 V290 V291 I292 N293 T361L212-L313 HydrophobicContact CD1-CD1 4.1Å; L212-L313 HydrophobicContact CD1-CD2 4.44Å; H214-L313 WeakPolarHBondContact O-CD2 3.47Å; V290-L313 HydrophobicContact CG1-CD1 4.11Å; V291-L313 PolarHBondContact O-N 3.49Å; I292-L313 HydrophobicContact CD1-CD1 4.41Å; I292-L313 HydrophobicContact CG1-CB 4.43Å; I292-L313 HydrophobicContact CG1-CD1 3.82Å; I292-L313 HydrophobicContact CG2-CB 4.44Å; N293-L313 WeakPolarHBondContact CB-O 3.17Å; N293-L313 PolarHBondContact N-O 3.37Å; L313-T361 HydrophobicContact CD1-CG2 4.14Å; L313-T361 WeakPolarHBondContact CD2-OG1 3.29Å
314R92.8Very high91.7Very high80 Ų8052.2 Ų52.230%0.30223%0.23SC..  trans-110.2153.1178.971.5-179.6-172.3177.80.1110.7N293 I297 A316N293-R314 CarbonylContact O-C 2.87Å; I297-R314 HydrophobicContact CB-CB 4.09Å; I297-R314 HydrophobicContact CD1-CB 4.06Å; I297-R314 HydrophobicContact CG1-CB 3.74Å; R314-A316 VanDerWaalsContact C-N 3.31Å; R314-A316 PolarHBondContact O-N 2.85Å
315R91.9Very high91.5Very high143 Ų14352.3 Ų52.354%0.5423%0.227SC..SBendtrans58.939.2171.7-58.2179.2-178.6-107.3-5.9113.4E238 N293 Q294 K295E238-R315 IonicContact OE1-NE 2.75Å; E238-R315 IonicContact OE1-NH2 3.77Å; E238-R315 IonicContact OE2-CZ 3.55Å; E238-R315 IonicContact OE2-NH2 3.1Å; E238-R315 PolarHBondContact OE2-NH2 3.4Å; N293-R315 PolarHBondContact O-N 2.84Å; Q294-R315 WeakPolarHBondContact O-CA 3.39Å; K295-R315 PolarHBondContact O-N 2.81Å
316A92.4Very high91.4Very high11 Ų1155 Ų559%0.09124%0.241CC..  trans-61.9143.1171.700000110.8I292 N293 Q294 R314 M321I292-A316 HydrophobicContact CG2-CB 3.65Å; N293-A316 PolarHBondContact O-N 2.73Å; Q294-A316 WeakPolarHBondContact CG-O 3.48Å; R314-A316 VanDerWaalsContact C-N 3.31Å; R314-A316 PolarHBondContact O-N 2.85Å; A316-M321 HydrophobicContact CB-SD 4.2Å
317K92.8Very high91.2Very high96 Ų9654.7 Ų54.742%0.41724%0.238SC..  trans-63.9140.9176.8-66.1173.6-171.8160.30109.7D213 R319 N320 M321D213-K317 IonicContact OD1-NZ 3.85Å; D213-K317 WeakPolarHBondContact OD2-CE 3.4Å; D213-K317 IonicContact OD2-NZ 3.66Å; D213-K317 PolarHBondContact OD2-NZ 3.46Å; K317-R319 VanDerWaalsContact C-N 3.26Å; K317-R319 PolarHBondContact O-N 2.98Å; K317-N320 HydrophobicContact CB-CB 4.37Å; K317-N320 WeakPolarHBondContact O-CB 3.23Å; K317-N320 PolarHBondContact O-N 2.63Å; K317-M321 PolarHBondContact O-N 3.05Å
318R90.8Very high91.1Very high172 Ų17247.9 Ų47.965%0.64921%0.21SC*.Hα-helixtrans-53.6-42.9177.7-177.1178.2169.3171.5-0.6112.5N320 M321R318-N320 PolarHBondContact O-N 3.42Å; R318-M321 VanDerWaalsContact O-CB 3.31Å; R318-M321 WeakPolarHBondContact O-CB 3.37Å; R318-M321 PolarHBondContact O-N 3.36Å
319R91.3Very high91Very high169 Ų16948.2 Ų48.264%0.63823%0.228SC*.Hα-helixtrans-59.2-33.9177.8-62.9-178.1-178.1177.7-0.8112.4K317 M321 E322 R323K317-R319 VanDerWaalsContact C-N 3.26Å; K317-R319 PolarHBondContact O-N 2.98Å; R319-M321 VanDerWaalsContact C-N 3.27Å; R319-M321 PolarHBondContact O-N 3.47Å; R319-E322 PolarHBondContact O-N 3.27Å; R319-R323 WeakPolarHBondContact O-CG 3.42Å; R319-R323 PolarHBondContact O-N 2.99Å
320N91.3Very high90.9Very high1 Ų147.8 Ų47.81%0.00522%0.224CC..Hα-helixtrans-72.9-25.4-179.2-6528000110.7E192 L210 L212 K317 R318 R323 L324E192-N320 PolarHBondContact OE1-ND2 2.99Å; E192-N320 PolarHBondContact OE1-OD1 3.41Å; E192-N320 PolarHBondContact OE2-ND2 3.01Å; E192-N320 PolarHBondContact OE2-OD1 2.71Å; L210-N320 HydrophobicContact CD2-CB 4.01Å; L212-N320 HydrophobicContact CD2-CB 3.98Å; L212-N320 VanDerWaalsContact CD2-ND2 3.29Å; L212-N320 WeakPolarHBondContact CD2-ND2 3.18Å; K317-N320 HydrophobicContact CB-CB 4.37Å; K317-N320 WeakPolarHBondContact O-CB 3.23Å; K317-N320 PolarHBondContact O-N 2.63Å; R318-N320 PolarHBondContact O-N 3.42Å; N320-R323 PolarHBondContact O-N 3.15Å; N320-L324 WeakPolarHBondContact O-CB 3.46Å; N320-L324 WeakPolarHBondContact O-CD1 3.46Å; N320-L324 WeakPolarHBondContact O-CG 3.33Å; N320-L324 PolarHBondContact O-N 3.14Å
321M89.8Confident90.8Very high10 Ų1052.5 Ų52.55%0.04925%0.248CC..Hα-helixtrans-64.4-44.9174.4-56.2-60.9-77.500111.3T232 C233 I292 Q294 A316 K317 R318 R319 R323 L324 T325T232-M321 HydrophobicContact CG2-CE 4.41Å; C233-M321 WeakPolarHBondContact O-CE 3.26Å; I292-M321 HydrophobicContact CG2-SD 4.38Å; Q294-M321 HydrophobicContact CB-CE 4.41Å; Q294-M321 HydrophobicContact CB-CG 4.33Å; Q294-M321 HydrophobicContact CB-SD 4.36Å; A316-M321 HydrophobicContact CB-SD 4.2Å; K317-M321 PolarHBondContact O-N 3.05Å; R318-M321 VanDerWaalsContact O-CB 3.31Å; R318-M321 WeakPolarHBondContact O-CB 3.37Å; R318-M321 PolarHBondContact O-N 3.36Å; R319-M321 VanDerWaalsContact C-N 3.27Å; R319-M321 PolarHBondContact O-N 3.47Å; M321-R323 VanDerWaalsContact C-N 3.31Å; M321-R323 PolarHBondContact O-N 3.42Å; M321-L324 PolarHBondContact O-N 2.82Å; M321-L324 HydrophobicContact SD-CD1 4.44Å; M321-T325 WeakPolarHBondContact O-CG2 3.47Å; M321-T325 PolarHBondContact O-N 3.01Å; M321-T325 VanDerWaalsContact O-N 3.1Å; M321-T325 PolarHBondContact O-OG1 2.95Å
322E89.9Confident90.7Very high103 Ų10354 Ų5448%0.48126%0.261SS..Hα-helixtrans-64.7-36176.1-66.9166.5-168.500111.7R319 T325 L326R319-E322 PolarHBondContact O-N 3.27Å; E322-T325 PolarHBondContact O-OG1 3.41Å; E322-L326 WeakPolarHBondContact O-CG 3.35Å; E322-L326 PolarHBondContact O-N 3.41Å
323R91.3Very high90.6Very high27 Ų2754.9 Ų54.910%0.10227%0.265CS..Hα-helixtrans-69.9-40.7175.1-69.1175.2178.6160.1-8.2112.6Y189 E192 L210 R319 N320 M321 L326 A327 S371Y189-R323 VanDerWaalsContact O-CZ 3.24Å; Y189-R323 PolarHBondContact O-NE 3.26Å; Y189-R323 PolarHBondContact O-NH2 2.95Å; E192-R323 VanDerWaalsContact CG-NH1 3.28Å; E192-R323 IonicContact OE1-NH1 2.95Å; E192-R323 PolarHBondContact OE1-NH1 3.3Å; E192-R323 VanDerWaalsContact OE2-CD 3.31Å; E192-R323 WeakPolarHBondContact OE2-CD 3.36Å; E192-R323 IonicContact OE2-CZ 3.8Å; E192-R323 IonicContact OE2-NE 2.81Å; E192-R323 IonicContact OE2-NH1 3.31Å; E192-R323 PolarHBondContact OE2-NH1 2.85Å; L210-R323 HydrophobicContact CD1-CB 3.92Å; L210-R323 HydrophobicContact CD2-CB 4.26Å; R319-R323 WeakPolarHBondContact O-CG 3.42Å; R319-R323 PolarHBondContact O-N 2.99Å; N320-R323 PolarHBondContact O-N 3.15Å; M321-R323 VanDerWaalsContact C-N 3.31Å; M321-R323 PolarHBondContact O-N 3.42Å; R323-L326 PolarHBondContact O-N 2.81Å; R323-A327 WeakPolarHBondContact O-CB 3.49Å; R323-A327 PolarHBondContact O-N 3.06Å; R323-S371 WeakPolarHBondContact CB-OG 3.13Å; R323-S371 WeakPolarHBondContact CG-OG 3.4Å
324L90.9Very high90.5Very high2 Ų260.2 Ų60.21%0.0129%0.294CS..Hα-helixtrans-64.8-41178.9-76.7165.4000112.1L210 T232 I292 N320 M321 L326 A327 C328 I363L210-L324 HydrophobicContact CB-CD2 4.18Å; L210-L324 HydrophobicContact CD2-CD1 4.23Å; L210-L324 HydrophobicContact CD2-CD2 3.54Å; L210-L324 HydrophobicContact CD2-CG 3.47Å; L210-L324 VanDerWaalsContact CD2-CG 3.47Å; T232-L324 HydrophobicContact CG2-CB 3.8Å; T232-L324 HydrophobicContact CG2-CD1 3.87Å; T232-L324 HydrophobicContact CG2-CG 4.4Å; I292-L324 HydrophobicContact CB-CD1 4.18Å; I292-L324 HydrophobicContact CD1-CD1 3.58Å; I292-L324 HydrophobicContact CD1-CD2 3.82Å; I292-L324 HydrophobicContact CD1-CG 4.35Å; I292-L324 HydrophobicContact CG1-CD1 4.47Å; I292-L324 HydrophobicContact CG2-CD1 3.71Å; N320-L324 WeakPolarHBondContact O-CB 3.46Å; N320-L324 WeakPolarHBondContact O-CD1 3.46Å; N320-L324 WeakPolarHBondContact O-CG 3.33Å; N320-L324 PolarHBondContact O-N 3.14Å; M321-L324 PolarHBondContact O-N 2.82Å; M321-L324 HydrophobicContact SD-CD1 4.44Å; L324-L326 VanDerWaalsContact C-N 3.3Å; L324-L326 PolarHBondContact O-N 2.76Å; L324-A327 PolarHBondContact O-N 3.19Å; L324-C328 VanDerWaalsContact O-CB 3.28Å; L324-C328 WeakPolarHBondContact O-CB 3.3Å; L324-C328 PolarHBondContact O-N 3.43Å; L324-I363 HydrophobicContact CD2-CD1 3.5Å; L324-I363 VanDerWaalsContact CD2-CD1 3.5Å
325T90.2Very high90.4Very high34 Ų3458.3 Ų58.321%0.20929%0.292CS..Hα-helixtrans-63.3-40176.355.10000110.9M321 E322 G329 G330 A332M321-T325 WeakPolarHBondContact O-CG2 3.47Å; M321-T325 PolarHBondContact O-N 3.01Å; M321-T325 VanDerWaalsContact O-N 3.1Å; M321-T325 PolarHBondContact O-OG1 2.95Å; E322-T325 PolarHBondContact O-OG1 3.41Å; T325-G329 CarbonylContact O-C 3.53Å; T325-G329 WeakPolarHBondContact O-CA 3.42Å; T325-G329 PolarHBondContact O-N 3.2Å; T325-G330 WeakPolarHBondContact CA-O 3.15Å; T325-G330 WeakPolarHBondContact CB-O 3.38Å; T325-G330 WeakPolarHBondContact CG2-O 3.41Å; T325-A332 HydrophobicContact CG2-CB 3.91Å
326L89.1Confident90.2Very high58 Ų5851.8 Ų51.830%0.30427%0.268SS..Hα-helixtrans-73.5-35.9177.6-71.2171.7000113.9M190 E322 R323 L324 N368 R370M190-L326 HydrophobicContact CE-CD1 3.82Å; M190-L326 HydrophobicContact CG-CD1 4.37Å; M190-L326 HydrophobicContact SD-CD1 3.25Å; M190-L326 WeakPolarHBondContact SD-CD1 3.41Å; E322-L326 WeakPolarHBondContact O-CG 3.35Å; E322-L326 PolarHBondContact O-N 3.41Å; R323-L326 PolarHBondContact O-N 2.81Å; L324-L326 VanDerWaalsContact C-N 3.3Å; L324-L326 PolarHBondContact O-N 2.76Å; L326-N368 VanDerWaalsContact O-O 3.07Å; L326-R370 HydrophobicContact CB-CB 4.34Å
327A89.4Confident89.9Confident1 Ų156.2 Ų56.21%0.00829%0.29CS..Hα-helixtrans-75.7-50.8178.600000111.9R323 L324 C366 N368R323-A327 WeakPolarHBondContact O-CB 3.49Å; R323-A327 PolarHBondContact O-N 3.06Å; L324-A327 PolarHBondContact O-N 3.19Å; A327-C366 WeakPolarHBondContact O-CB 3.48Å; A327-N368 CarbonylContact O-C 3.59Å
328C88.5Confident89.6Confident12 Ų1257.2 Ų57.28%0.08130%0.301CS..Hα-helixtrans-92.3-14.8-173-57.40000113.5L324 G345 H346L324-C328 VanDerWaalsContact O-CB 3.28Å; L324-C328 WeakPolarHBondContact O-CB 3.3Å; L324-C328 PolarHBondContact O-N 3.43Å; C328-G345 WeakPolarHBondContact O-CA 3.32Å; C328-H346 PolarHBondContact O-N 3.26Å
329G86.9Confident89.4Confident62 Ų6250.2 Ų50.264%0.63928%0.276SS*.  trans81.67.9179.200000115.9T325T325-G329 CarbonylContact O-C 3.53Å; T325-G329 WeakPolarHBondContact O-CA 3.42Å; T325-G329 PolarHBondContact O-N 3.2Å
330G86.9Confident89.2Confident8 Ų845.1 Ų45.18%0.08226%0.263CS..  trans-84.7170.9179.800000114T325 C343T325-G330 WeakPolarHBondContact CA-O 3.15Å; T325-G330 WeakPolarHBondContact CB-O 3.38Å; T325-G330 WeakPolarHBondContact CG2-O 3.41Å; G330-C343 WeakPolarHBondContact CA-O 3.42Å
331I90.4Very high89.1Confident100 Ų10048.6 Ų48.651%0.51329%0.286SS..  trans-105.3130.3175.7-57.6173.2000108.7T232 M333 C343T232-I331 PolarHBondContact OG1-O 3.39Å; I331-M333 HydrophobicContact CG2-SD 4.32Å; I331-M333 PolarHBondContact O-N 2.98Å; I331-C343 PolarHBondContact N-O 2.93Å
332A90.9Very high89Confident39 Ų3956.3 Ų56.332%0.32232%0.322SS..  trans-70.9113.717500000110.4T232 T325T232-A332 WeakPolarHBondContact OG1-CA 3.31Å; T325-A332 HydrophobicContact CG2-CB 3.91Å
333M91.4Very high88.9Confident21 Ų2152 Ų5210%0.10330%0.303CS..BIsolated β-bridgetrans-89.4134-174.1-67-58.3-70.800112.6L231 T232 C233 N234 I331 D338 L339 C343L231-M333 HydrophobicContact CD1-CG 4.47Å; T232-M333 PolarHBondContact O-N 2.99Å; C233-M333 WeakPolarHBondContact CA-O 3.3Å; N234-M333 PolarHBondContact N-O 3.06Å; N234-M333 PolarHBondContact OD1-O 3.45Å; I331-M333 HydrophobicContact CG2-SD 4.32Å; I331-M333 PolarHBondContact O-N 2.98Å; M333-D338 HydrophobicContact CE-CB 4.14Å; M333-D338 WeakPolarHBondContact CE-O 3.33Å; M333-L339 HydrophobicContact CB-CD2 4.38Å; M333-L339 HydrophobicContact CE-CD2 4.41Å; M333-L339 HydrophobicContact CG-CD2 4.1Å; M333-C343 HydrophobicContact CG-CB 4.03Å; M333-C343 HydrophobicContact SD-CB 3.87Å
334N91.8Very high88.8Confident116 Ų11651.4 Ų51.462%0.6230%0.302SS*.SBendtrans-96.9-19179.1-62.5-27.4000114.5N234 V235N234-N334 VanDerWaalsContact CG-OD1 3.28Å; N234-N334 PolarHBondContact ND2-OD1 3.4Å; N234-N334 WeakPolarHBondContact OD1-CA 3.22Å; N234-N334 PolarHBondContact OD1-OD1 3Å; V235-N334 WeakPolarHBondContact CG2-O 3.48Å
335S89.8Confident88.8Confident39 Ų3951.4 Ų51.427%0.27330%0.302SS..  trans-135.2155.2176.6-175.30000109.6D337S335-D337 PolarHBondContact OG-N 3.09Å; S335-D337 PolarHBondContact OG-OD2 2.91Å
336V88Confident88.9Confident6 Ų653 Ų534%0.03631%0.307CS..SBendtrans-89.4-8.4177.6-139.70000111.9V235 R270 K273 I274 L339V235-V336 HydrophobicContact CB-CG2 4.15Å; V235-V336 HydrophobicContact CG1-CG2 3.69Å; V235-V336 HydrophobicContact CG2-CG2 3.97Å; R270-V336 HydrophobicContact CB-CG2 4.05Å; R270-V336 HydrophobicContact CG-CG2 3.93Å; R270-V336 WeakPolarHBondContact O-CG1 3.39Å; K273-V336 HydrophobicContact CB-CG1 4.02Å; K273-V336 HydrophobicContact CD-CB 4.49Å; I274-V336 HydrophobicContact CD1-CG1 4.12Å; I274-V336 HydrophobicContact CG1-CG1 3.59Å; V336-L339 HydrophobicContact CB-CD1 4.41Å; V336-L339 HydrophobicContact CG1-CD1 3.5Å; V336-L339 VanDerWaalsContact CG1-CD1 3.5Å; V336-L339 HydrophobicContact CG1-CG 4.29Å; V336-L339 WeakPolarHBondContact O-CD1 3.3Å; V336-L339 WeakPolarHBondContact O-CG 3.25Å
337D87.4Confident89.1Confident104 Ų10450.2 Ų50.256%0.55629%0.293SS*.THydrogen-bonded Turntrans-77.5-39.3-175.7-61.4-39.2000112.1K273 S335 L339K273-D337 IonicContact NZ-OD1 2.67Å; K273-D337 PolarHBondContact NZ-OD1 3.13Å; S335-D337 PolarHBondContact OG-N 3.09Å; S335-D337 PolarHBondContact OG-OD2 2.91Å; D337-L339 VanDerWaalsContact C-N 3.29Å; D337-L339 PolarHBondContact O-N 2.95Å
338D85.2Confident89.2Confident118 Ų11851.2 Ų51.263%0.63130%0.303SS*.THydrogen-bonded Turntrans-94.533-175.6-57.1-43.9000112.7M333 T340M333-D338 HydrophobicContact CE-CB 4.14Å; M333-D338 WeakPolarHBondContact CE-O 3.33Å; D338-T340 PolarHBondContact O-N 3.34Å
339L87.1Confident89.4Confident25 Ų2551.5 Ų51.513%0.13130%0.303CS..  trans-75.2107.9-178.7-74.9-178.1000111.6L231 I274 L277 M333 V336 D337L231-L339 HydrophobicContact CD1-CD2 3.86Å; L231-L339 HydrophobicContact CD2-CD2 4.44Å; I274-L339 HydrophobicContact CG1-CD1 4.17Å; L277-L339 HydrophobicContact CD1-CB 4.44Å; L277-L339 HydrophobicContact CD2-CB 4.12Å; L277-L339 HydrophobicContact CD2-CD1 4.21Å; L277-L339 HydrophobicContact CD2-CD2 4.36Å; L277-L339 HydrophobicContact CD2-CG 4.47Å; M333-L339 HydrophobicContact CB-CD2 4.38Å; M333-L339 HydrophobicContact CE-CD2 4.41Å; M333-L339 HydrophobicContact CG-CD2 4.1Å; V336-L339 HydrophobicContact CB-CD1 4.41Å; V336-L339 HydrophobicContact CG1-CD1 3.5Å; V336-L339 VanDerWaalsContact CG1-CD1 3.5Å; V336-L339 HydrophobicContact CG1-CG 4.29Å; V336-L339 WeakPolarHBondContact O-CD1 3.3Å; V336-L339 WeakPolarHBondContact O-CG 3.25Å; D337-L339 VanDerWaalsContact C-N 3.29Å; D337-L339 PolarHBondContact O-N 2.95Å
340T88.1Confident89.8Confident61 Ų6148.7 Ų48.737%0.37427%0.274SS..  trans-111.7155.9171.167.60000111.1D338 E342 C343D338-T340 PolarHBondContact O-N 3.34Å; T340-E342 PolarHBondContact O-N 2.95Å; T340-C343 WeakPolarHBondContact O-CB 3.38Å; T340-C343 PolarHBondContact O-N 3.4Å; T340-C343 VanDerWaalsContact O-N 3.16Å; T340-C343 PolarHBondContact OG1-SG 3.49Å
341P87.8Confident90.2Very high75 Ų7551.3 Ų51.349%0.48728%0.282SS..G310 helixtrans-59.1-26.4175.6-25.736.2000113.9L277 V281 C343 L344L277-P341 HydrophobicContact CD1-CG 4.5Å; V281-P341 HydrophobicContact CG2-CB 3.89Å; V281-P341 HydrophobicContact CG2-CG 3.97Å; P341-C343 PolarHBondContact O-N 3.29Å; P341-L344 WeakPolarHBondContact O-CB 3.31Å; P341-L344 PolarHBondContact O-N 3.49Å
342E87.5Confident90.3Very high172 Ų17247.8 Ų47.880%0.80426%0.263SS*.G310 helixtrans-69.4-22.1179.1-61.6178.1-174.200112.8T340 L344T340-E342 PolarHBondContact O-N 2.95Å; E342-L344 PolarHBondContact O-N 2.93Å
343C87.6Confident90.4Very high11 Ų1149.5 Ų49.57%0.07426%0.264CS..G310 helixtrans-73.5-16177.1-57.70000113G330 I331 M333 T340 P341G330-C343 WeakPolarHBondContact CA-O 3.42Å; I331-C343 PolarHBondContact N-O 2.93Å; M333-C343 HydrophobicContact CG-CB 4.03Å; M333-C343 HydrophobicContact SD-CB 3.87Å; T340-C343 WeakPolarHBondContact O-CB 3.38Å; T340-C343 PolarHBondContact O-N 3.4Å; T340-C343 VanDerWaalsContact O-N 3.16Å; T340-C343 PolarHBondContact OG1-SG 3.49Å; P341-C343 PolarHBondContact O-N 3.29Å
344L90.6Very high90.4Very high16 Ų1651.7 Ų51.78%0.08428%0.279CS..  trans-78.9135-174-62.8171.7000111.5Y229 L231 L277 V281 F289 P341 E342Y229-L344 HydrophobicContact CD1-CB 4.14Å; Y229-L344 HydrophobicContact CD1-CD1 4.35Å; Y229-L344 HydrophobicContact CG-CD1 4.31Å; L231-L344 HydrophobicContact CB-CD2 3.66Å; L231-L344 HydrophobicContact CD1-CD2 3.82Å; L231-L344 HydrophobicContact CG-CD2 4.27Å; L277-L344 HydrophobicContact CD2-CD1 4.24Å; L277-L344 HydrophobicContact CD2-CD2 3.94Å; L277-L344 HydrophobicContact CD2-CG 4.31Å; L277-L344 HydrophobicContact CG-CD1 4.49Å; V281-L344 HydrophobicContact CB-CD1 4.35Å; V281-L344 HydrophobicContact CG1-CD1 4.06Å; V281-L344 HydrophobicContact CG2-CD1 3.88Å; F289-L344 HydrophobicContact CE2-CD1 3.85Å; F289-L344 HydrophobicContact CE2-CD2 3.8Å; F289-L344 HydrophobicContact CZ-CD2 3.89Å; P341-L344 WeakPolarHBondContact O-CB 3.31Å; P341-L344 PolarHBondContact O-N 3.49Å; E342-L344 PolarHBondContact O-N 2.93Å
345G91.1Very high90.2Very high1 Ų148.3 Ų48.31%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-79.7167.116600000111.6Y229 V230 C328Y229-G345 CarbonylContact C-O 3.58Å; Y229-G345 WeakPolarHBondContact CA-O 3.44Å; V230-G345 PolarHBondContact N-O 3.03Å; V230-G345 PolarHBondContact O-N 3.43Å; C328-G345 WeakPolarHBondContact O-CA 3.32Å
346H92.3Very high90.1Very high68 Ų6850 Ų5032%0.31528%0.284SS..EExtended strand (participates in β ladder)trans-124.4133.1177.8-179.6-93000111.5D227 C328D227-H346 IonicContact OD1-CD2 2.74Å; D227-H346 IonicContact OD1-CE1 3.16Å; D227-H346 IonicContact OD1-NE2 3.48Å; D227-H346 PolarHBondContact OD1-NE2 3.13Å; C328-H346 PolarHBondContact O-N 3.26Å
347A92.4Very high90Very high0 Ų059 Ų590%033%0.326CS..EExtended strand (participates in β ladder)trans-137.8126.7173.900000110.5A228 V230 L349 V350 I363A228-A347 PolarHBondContact N-O 3.17Å; A228-A347 PolarHBondContact O-N 3.05Å; V230-A347 HydrophobicContact CG2-CB 3.87Å; A347-L349 VanDerWaalsContact C-N 3.31Å; A347-L349 PolarHBondContact O-N 2.96Å; A347-V350 HydrophobicContact CB-CG2 3.96Å; A347-I363 HydrophobicContact CB-CG2 3.59Å
348G91.3Very high90.1Very high21 Ų2158.4 Ų58.422%0.21632%0.32CS..EExtended strand (participates in β ladder)trans-68.8-27.3-177.500000114.2D227 E364 K365D227-G348 PolarHBondContact N-O 3.26Å; G348-E364 PolarHBondContact N-O 3.41Å; G348-K365 PolarHBondContact N-O 3.15Å
349L93.7Very high90.5Very high19 Ų1955.5 Ų55.510%0.09930%0.301CS..EExtended strand (participates in β ladder)trans-146.4126.7177.3-178.767.6000110.9R224 E226 A347 Y351 E364R224-L349 HydrophobicContact CG-CD1 4.08Å; E226-L349 HydrophobicContact CG-CD1 4.03Å; A347-L349 VanDerWaalsContact C-N 3.31Å; A347-L349 PolarHBondContact O-N 2.96Å; L349-Y351 HydrophobicContact CD2-CD1 3.88Å; L349-Y351 HydrophobicContact CD2-CE1 4.14Å; L349-Y351 HydrophobicContact CG-CD1 3.97Å; L349-E364 HydrophobicContact CB-CB 4.49Å; L349-E364 PolarHBondContact N-O 3.36Å; L349-E364 VanDerWaalsContact N-O 3.09Å; L349-E364 PolarHBondContact O-N 3.3Å
350V94.7Very high90.8Very high3 Ų354.9 Ų54.92%0.01830%0.298CS..EExtended strand (participates in β ladder)trans-123.9123.3169.6-178.30000109V225 A228 V290 A347 T361 F362 I363V225-V350 HydrophobicContact CB-CB 4.43Å; V225-V350 PolarHBondContact N-O 3.36Å; V225-V350 PolarHBondContact O-N 3.25Å; A228-V350 HydrophobicContact CB-CB 4.39Å; A228-V350 HydrophobicContact CB-CG2 3.78Å; V290-V350 HydrophobicContact CG1-CG1 4.45Å; V290-V350 HydrophobicContact CG2-CB 4.17Å; V290-V350 HydrophobicContact CG2-CG1 4.11Å; V290-V350 HydrophobicContact CG2-CG2 4.22Å; A347-V350 HydrophobicContact CB-CG2 3.96Å; V350-T361 HydrophobicContact CG1-CG2 3.76Å; V350-F362 CarbonylContact C-O 3.41Å; V350-F362 VanDerWaalsContact CA-O 3.25Å; V350-F362 WeakPolarHBondContact CA-O 3.35Å; V350-I363 HydrophobicContact CG1-CG1 4.17Å; V350-I363 HydrophobicContact CG2-CB 4.48Å; V350-I363 HydrophobicContact CG2-CG1 4.15Å; V350-I363 HydrophobicContact CG2-CG2 4.2Å
351Y94.9Very high91.1Very high63 Ų6352.2 Ų52.225%0.24728%0.281CS..EExtended strand (participates in β ladder)trans-142.5148.8177.972.2-84.7000112.9K223 L349 H353 T361 F362 E364K223-Y351 CarbonylContact O-C 3.25Å; K223-Y351 VanDerWaalsContact O-CA 3.3Å; K223-Y351 WeakPolarHBondContact O-CA 3.16Å; L349-Y351 HydrophobicContact CD2-CD1 3.88Å; L349-Y351 HydrophobicContact CD2-CE1 4.14Å; L349-Y351 HydrophobicContact CG-CD1 3.97Å; Y351-H353 HydrophobicContact CD2-CB 4.49Å; Y351-H353 HydrophobicContact CE2-CB 4.15Å; Y351-T361 WeakPolarHBondContact O-CA 3.25Å; Y351-F362 HydrophobicContact CD1-CB 3.74Å; Y351-F362 HydrophobicContact CD2-CB 4.39Å; Y351-F362 HydrophobicContact CD2-CD2 4.41Å; Y351-F362 HydrophobicContact CE1-CB 3.35Å; Y351-F362 HydrophobicContact CE1-CD1 4.35Å; Y351-F362 AromaticContact CE1-CG 3.9Å; Y351-F362 HydrophobicContact CE1-CG 3.9Å; Y351-F362 HydrophobicContact CE2-CB 4.04Å; Y351-F362 AromaticContact CE2-CD2 3.81Å; Y351-F362 HydrophobicContact CE2-CD2 3.81Å; Y351-F362 HydrophobicContact CE2-CE2 4.48Å; Y351-F362 AromaticContact CE2-CG 3.87Å; Y351-F362 HydrophobicContact CE2-CG 3.87Å; Y351-F362 HydrophobicContact CG-CB 4.26Å; Y351-F362 AromaticContact CZ-CD1 3.84Å; Y351-F362 AromaticContact CZ-CD2 3.93Å; Y351-F362 AromaticContact CZ-CG 3.49Å; Y351-F362 VanDerWaalsContact CZ-CG 3.49Å; Y351-F362 PolarHBondContact N-O 2.72Å; Y351-F362 PolarHBondContact O-N 3.46Å; Y351-F362 VanDerWaalsContact OH-CD1 3.31Å; Y351-F362 WeakPolarHBondContact OH-CD1 3.41Å; Y351-F362 WeakPolarHBondContact OH-CG 3.3Å; Y351-E364 HydrophobicContact CE1-CG 4.44Å
352E93.7Very high91.5Very high26 Ų2649 Ų4912%0.12126%0.26CS..EExtended strand (participates in β ladder)trans-90.9128.4172.3-178.7178.6113.500109.6G215 A216 K223 T354 K359 Y360G215-E352 WeakPolarHBondContact CA-OE2 3.44Å; A216-E352 WeakPolarHBondContact CB-OE2 3.32Å; A216-E352 PolarHBondContact N-OE2 3.08Å; K223-E352 PolarHBondContact O-N 3.02Å; E352-T354 PolarHBondContact OE1-OG1 2.91Å; E352-K359 HydrophobicContact CG-CB 4.32Å; E352-K359 WeakPolarHBondContact OE1-CD 3.09Å; E352-K359 VanDerWaalsContact OE1-CE 3.31Å; E352-K359 WeakPolarHBondContact OE1-CE 3.33Å; E352-K359 IonicContact OE1-NZ 2.84Å; E352-K359 PolarHBondContact OE1-NZ 2.59Å; E352-K359 IonicContact OE2-NZ 2.6Å; E352-K359 PolarHBondContact OE2-NZ 2.69Å; E352-Y360 CarbonylContact C-O 3.36Å; E352-Y360 WeakPolarHBondContact CA-O 3.2Å
353H92.3Very high91.8Very high74 Ų7440.9 Ų40.934%0.34322%0.221SC..EExtended strand (participates in β ladder)trans-113.4115.8168.5-173.8-107.6000109.3Y351 Y360 F362Y351-H353 HydrophobicContact CD2-CB 4.49Å; Y351-H353 HydrophobicContact CE2-CB 4.15Å; H353-Y360 PolarHBondContact N-O 3.45Å; H353-Y360 PolarHBondContact O-N 3.45Å; H353-F362 HydrophobicContact CB-CD2 3.95Å; H353-F362 HydrophobicContact CB-CE2 3.57Å
354T91.1Very high92Very high67 Ų6742.6 Ų42.641%0.41123%0.228SC..EExtended strand (participates in β ladder)trans-98.1125-179.2-510000109.6E352 E358 K359E352-T354 PolarHBondContact OE1-OG1 2.91Å; T354-E358 WeakPolarHBondContact CA-O 3.44Å; T354-K359 HydrophobicContact CG2-CG 4.01Å
355L88.4Confident91.9Very high45 Ų4549.1 Ų49.124%0.23626%0.256CS..EExtended strand (participates in β ladder)trans-123.5106.1175.8-162.689.1000109.6M196 K197 E357 E358M196-L355 HydrophobicContact CE-CB 4.04Å; M196-L355 HydrophobicContact CE-CD1 3.81Å; M196-L355 HydrophobicContact CE-CD2 3.73Å; M196-L355 HydrophobicContact CE-CG 4.07Å; M196-L355 HydrophobicContact CG-CD2 4.39Å; K197-L355 WeakPolarHBondContact O-CD2 3.21Å; L355-E357 PolarHBondContact O-N 2.83Å; L355-E358 PolarHBondContact N-O 3.18Å; L355-E358 PolarHBondContact O-N 3.21Å; L355-E358 VanDerWaalsContact O-N 3.11Å
356G86.4Confident91.6Very high75 Ų7549.5 Ų49.577%0.77326%0.259SS*.THydrogen-bonded Turntrans62.1-120.1-171.400000110.7
357E86.9Confident90.7Very high195 Ų19548.9 Ų48.991%0.91127%0.271SS*.THydrogen-bonded Turntrans-92.9-13.4176.7-61.2-175173.400113.3L355L355-E357 PolarHBondContact O-N 2.83Å
358E89.8Confident90.2Very high92 Ų9254.7 Ų54.743%0.4330%0.302SS..EExtended strand (participates in β ladder)trans-87.2142.4-179-66.3-179.8176.800110.7T354 L355 Y360T354-E358 WeakPolarHBondContact CA-O 3.44Å; L355-E358 PolarHBondContact N-O 3.18Å; L355-E358 PolarHBondContact O-N 3.21Å; L355-E358 VanDerWaalsContact O-N 3.11Å; E358-Y360 HydrophobicContact CB-CE2 3.79Å; E358-Y360 PolarHBondContact OE2-OH 3.29Å
359K92.2Very high89.5Confident56 Ų5655.3 Ų55.324%0.24330%0.302CS..EExtended strand (participates in β ladder)trans-122.3127.5179-66.7176.8166.5-133.50109.2D213 H214 G215 A216 E352 T354D213-K359 CarbonylContact C-O 3.6Å; D213-K359 VanDerWaalsContact C-O 3.28Å; H214-K359 CarbonylContact C-O 3.59Å; H214-K359 VanDerWaalsContact C-O 3.25Å; H214-K359 VanDerWaalsContact CA-O 3.28Å; H214-K359 WeakPolarHBondContact CA-O 3.34Å; H214-K359 PolarHBondContact N-O 2.76Å; G215-K359 PolarHBondContact N-O 3.45Å; A216-K359 PolarHBondContact O-NZ 2.88Å; E352-K359 HydrophobicContact CG-CB 4.32Å; E352-K359 WeakPolarHBondContact OE1-CD 3.09Å; E352-K359 VanDerWaalsContact OE1-CE 3.31Å; E352-K359 WeakPolarHBondContact OE1-CE 3.33Å; E352-K359 IonicContact OE1-NZ 2.84Å; E352-K359 PolarHBondContact OE1-NZ 2.59Å; E352-K359 IonicContact OE2-NZ 2.6Å; E352-K359 PolarHBondContact OE2-NZ 2.69Å; T354-K359 HydrophobicContact CG2-CG 4.01Å
360Y94.5Very high89.2Confident13 Ų1360.1 Ų60.15%0.05132%0.319CS..EExtended strand (participates in β ladder)trans-113.8131.7177.6-64.7-92.7000109M194 M196 V211 L212 E352 H353 E358M194-Y360 HydrophobicContact CG-CE1 4.49Å; M196-Y360 HydrophobicContact CB-CE1 4.43Å; M196-Y360 HydrophobicContact CG-CE2 4.13Å; V211-Y360 HydrophobicContact CG1-CD1 4.28Å; L212-Y360 CarbonylContact O-C 3.28Å; L212-Y360 VanDerWaalsContact O-CA 3.26Å; L212-Y360 WeakPolarHBondContact O-CA 3.36Å; E352-Y360 CarbonylContact C-O 3.36Å; E352-Y360 WeakPolarHBondContact CA-O 3.2Å; H353-Y360 PolarHBondContact N-O 3.45Å; H353-Y360 PolarHBondContact O-N 3.45Å; E358-Y360 HydrophobicContact CB-CE2 3.79Å; E358-Y360 PolarHBondContact OE2-OH 3.29Å
361T94.8Very high89Confident4 Ų460 Ų603%0.02532%0.318CS..EExtended strand (participates in β ladder)trans-104.6123.9174.3-52.20000109.7V211 L212 H214 G215 L313 V350 Y351V211-T361 CarbonylContact C-O 3.56Å; V211-T361 WeakPolarHBondContact CA-O 2.83Å; L212-T361 PolarHBondContact N-O 2.97Å; L212-T361 PolarHBondContact O-N 2.9Å; H214-T361 PolarHBondContact O-OG1 3.29Å; G215-T361 WeakPolarHBondContact CA-OG1 3.32Å; L313-T361 HydrophobicContact CD1-CG2 4.14Å; L313-T361 WeakPolarHBondContact CD2-OG1 3.29Å; V350-T361 HydrophobicContact CG1-CG2 3.76Å; Y351-T361 WeakPolarHBondContact O-CA 3.25Å
362F95.4Very high89Confident9 Ų957 Ų574%0.03931%0.306CS..EExtended strand (participates in β ladder)trans-99.2129.4179-70.6-109000108.5I207 V211 V350 Y351 H353 E364 L375I207-F362 HydrophobicContact CD1-CD1 3.69Å; I207-F362 HydrophobicContact CD1-CE1 3.43Å; I207-F362 VanDerWaalsContact CD1-CE1 3.43Å; V211-F362 HydrophobicContact CG1-CE1 4.47Å; V211-F362 HydrophobicContact CG1-CE2 4.3Å; V211-F362 HydrophobicContact CG1-CZ 4.26Å; V211-F362 HydrophobicContact CG2-CD1 3.86Å; V211-F362 HydrophobicContact CG2-CE1 3.92Å; V211-F362 HydrophobicContact CG2-CG 4.43Å; V211-F362 HydrophobicContact CG2-CZ 4.49Å; V350-F362 CarbonylContact C-O 3.41Å; V350-F362 VanDerWaalsContact CA-O 3.25Å; V350-F362 WeakPolarHBondContact CA-O 3.35Å; Y351-F362 HydrophobicContact CD1-CB 3.74Å; Y351-F362 HydrophobicContact CD2-CB 4.39Å; Y351-F362 HydrophobicContact CD2-CD2 4.41Å; Y351-F362 HydrophobicContact CE1-CB 3.35Å; Y351-F362 HydrophobicContact CE1-CD1 4.35Å; Y351-F362 AromaticContact CE1-CG 3.9Å; Y351-F362 HydrophobicContact CE1-CG 3.9Å; Y351-F362 HydrophobicContact CE2-CB 4.04Å; Y351-F362 AromaticContact CE2-CD2 3.81Å; Y351-F362 HydrophobicContact CE2-CD2 3.81Å; Y351-F362 HydrophobicContact CE2-CE2 4.48Å; Y351-F362 AromaticContact CE2-CG 3.87Å; Y351-F362 HydrophobicContact CE2-CG 3.87Å; Y351-F362 HydrophobicContact CG-CB 4.26Å; Y351-F362 AromaticContact CZ-CD1 3.84Å; Y351-F362 AromaticContact CZ-CD2 3.93Å; Y351-F362 AromaticContact CZ-CG 3.49Å; Y351-F362 VanDerWaalsContact CZ-CG 3.49Å; Y351-F362 PolarHBondContact N-O 2.72Å; Y351-F362 PolarHBondContact O-N 3.46Å; Y351-F362 VanDerWaalsContact OH-CD1 3.31Å; Y351-F362 WeakPolarHBondContact OH-CD1 3.41Å; Y351-F362 WeakPolarHBondContact OH-CG 3.3Å; H353-F362 HydrophobicContact CB-CD2 3.95Å; H353-F362 HydrophobicContact CB-CE2 3.57Å; F362-E364 HydrophobicContact CB-CG 4.41Å; F362-L375 HydrophobicContact CE1-CD2 3.69Å; F362-L375 HydrophobicContact CZ-CD2 3.68Å
363I94Very high89Confident0 Ų055.8 Ų55.80%030%0.3CS..EExtended strand (participates in β ladder)trans-119.7106.1174.9-59167.9000106.1G209 L210 L212 I292 L324 A347 V350G209-I363 CarbonylContact C-O 3.53Å; G209-I363 VanDerWaalsContact CA-O 3.3Å; G209-I363 WeakPolarHBondContact CA-O 3.46Å; L210-I363 PolarHBondContact N-O 2.9Å; L210-I363 WeakPolarHBondContact O-CB 3.38Å; L210-I363 PolarHBondContact O-N 2.95Å; L212-I363 HydrophobicContact CD1-CD1 4.2Å; I292-I363 HydrophobicContact CD1-CD1 3.54Å; L324-I363 HydrophobicContact CD2-CD1 3.5Å; L324-I363 VanDerWaalsContact CD2-CD1 3.5Å; A347-I363 HydrophobicContact CB-CG2 3.59Å; V350-I363 HydrophobicContact CG1-CG1 4.17Å; V350-I363 HydrophobicContact CG2-CB 4.48Å; V350-I363 HydrophobicContact CG2-CG1 4.15Å; V350-I363 HydrophobicContact CG2-CG2 4.2Å
364E91.6Very high89.2Confident48 Ų4852.3 Ų52.322%0.22428%0.284CS..EExtended strand (participates in β ladder)trans-124.1166.7-171.7-59.1-168.3164.700111.7I207 G348 L349 Y351 F362 C366I207-E364 HydrophobicContact CG2-CG 3.87Å; G348-E364 PolarHBondContact N-O 3.41Å; L349-E364 HydrophobicContact CB-CB 4.49Å; L349-E364 PolarHBondContact N-O 3.36Å; L349-E364 VanDerWaalsContact N-O 3.09Å; L349-E364 PolarHBondContact O-N 3.3Å; Y351-E364 HydrophobicContact CE1-CG 4.44Å; F362-E364 HydrophobicContact CB-CG 4.41Å; E364-C366 VanDerWaalsContact C-N 3.26Å; E364-C366 PolarHBondContact O-N 3.09Å
365K88.4Confident89.4Confident152 Ų15249.2 Ų49.266%0.66127%0.265SS*.EExtended strand (participates in β ladder)trans54.544.8-179.4-56.5179.5-178.9179.10111.5G348G348-K365 PolarHBondContact N-O 3.15Å
366C85.3Confident89.7Confident10 Ų1047 Ų477%0.06825%0.254CS..EExtended strand (participates in β ladder)trans-71.2149.8173.1-50.80000109.5A327 E364 N368 P369A327-C366 WeakPolarHBondContact O-CB 3.48Å; E364-C366 VanDerWaalsContact C-N 3.26Å; E364-C366 PolarHBondContact O-N 3.09Å; C366-N368 PolarHBondContact O-N 3.01Å; C366-P369 HydrophobicContact CB-CB 4.46Å
367G73.9Confident90Very high55 Ų5544.8 Ų44.857%0.56722%0.223SC*.SBendtrans-58.4-45.5-175.100000113.8
368N80Confident90.2Very high121 Ų12135.5 Ų35.565%0.64718%0.179SC*.SBendtrans-137.385.5176.5-79.1-34.9000109.6L326 A327 C366 R370L326-N368 VanDerWaalsContact O-O 3.07Å; A327-N368 CarbonylContact O-C 3.59Å; C366-N368 PolarHBondContact O-N 3.01Å; N368-R370 PolarHBondContact O-N 3.06Å
369P78.4Confident90.2Very high34 Ų3433.4 Ų33.422%0.22117%0.174CC..  trans-74.377.1-17531.4-34.1000111K208 C366 S371K208-P369 HydrophobicContact CB-CB 4.38Å; K208-P369 HydrophobicContact CB-CG 4.19Å; C366-P369 HydrophobicContact CB-CB 4.46Å; P369-S371 PolarHBondContact O-N 2.86Å
370R86.4Confident90.2Very high121 Ų12134.4 Ų34.446%0.45718%0.182SC..SBendtrans-76.5-6.7171.5-69.6-177.6171.1-176.5-0.7112.8L326 N368L326-R370 HydrophobicContact CB-CB 4.34Å; N368-R370 PolarHBondContact O-N 3.06Å
371S90.6Very high89.9Confident0 Ų039.5 Ų39.50%020%0.204CC..SBendtrans-125.3134.9165.7179.60000108M190 R323 P369M190-S371 VanDerWaalsContact O-CA 3.32Å; M190-S371 WeakPolarHBondContact O-CA 3.17Å; M190-S371 WeakPolarHBondContact O-CB 3.48Å; M190-S371 PolarHBondContact O-OG 2.96Å; R323-S371 WeakPolarHBondContact CB-OG 3.13Å; R323-S371 WeakPolarHBondContact CG-OG 3.4Å; P369-S371 PolarHBondContact O-N 2.86Å
372V94Very high89.6Confident0 Ų042.3 Ų42.30%022%0.217CC..EExtended strand (participates in β ladder)trans-130.6156.8-174.9-650000109.5A175 A178 I179 M190 V191 E192 L206 G209A175-V372 HydrophobicContact CB-CG2 3.89Å; A178-V372 HydrophobicContact CB-CG1 3.68Å; I179-V372 HydrophobicContact CG2-CG2 4.25Å; M190-V372 PolarHBondContact O-N 2.86Å; V191-V372 WeakPolarHBondContact CA-O 3.42Å; V191-V372 HydrophobicContact CB-CG2 4.47Å; V191-V372 HydrophobicContact CG1-CG2 4.29Å; V191-V372 HydrophobicContact CG2-CG2 4.02Å; E192-V372 PolarHBondContact N-O 3.17Å; L206-V372 HydrophobicContact CD1-CB 4.05Å; L206-V372 HydrophobicContact CD1-CG2 4.19Å; G209-V372 CarbonylContact O-C 3.58Å; G209-V372 WeakPolarHBondContact O-CA 3.35Å
373T95.3Very high89.3Confident0 Ų043 Ų430%022%0.222CC..EExtended strand (participates in β ladder)trans-120.3122.9178.4-55.60000110.5E192 M194 I207 G209 L210 V211E192-T373 HydrophobicContact CB-CG2 4.13Å; E192-T373 HydrophobicContact CG-CG2 4.25Å; E192-T373 CarbonylContact O-C 3.56Å; E192-T373 VanDerWaalsContact O-CA 3.26Å; E192-T373 WeakPolarHBondContact O-CA 3.26Å; M194-T373 HydrophobicContact CB-CG2 3.8Å; I207-T373 PolarHBondContact N-O 3.08Å; I207-T373 PolarHBondContact O-N 2.72Å; G209-T373 PolarHBondContact O-N 2.95Å; G209-T373 PolarHBondContact O-OG1 3.36Å; L210-T373 VanDerWaalsContact CA-OG1 3.32Å; L210-T373 WeakPolarHBondContact CA-OG1 3.34Å; V211-T373 HydrophobicContact CB-CG2 3.84Å; V211-T373 HydrophobicContact CG2-CG2 3.8Å; V211-T373 PolarHBondContact N-OG1 3.32Å
374L95.4Very high89.2Confident2 Ų243 Ų431%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-86.9106164.6-75.8170.2000108.3A171 V172 A175 V191 E192 I193 M194 L206 V376 V391 L395A171-L374 HydrophobicContact CB-CD2 3.67Å; V172-L374 HydrophobicContact CG2-CD1 4.48Å; A175-L374 HydrophobicContact CB-CD1 4.09Å; A175-L374 HydrophobicContact CB-CG 4.26Å; V191-L374 HydrophobicContact CG1-CD1 3.82Å; V191-L374 HydrophobicContact CG1-CG 4.15Å; E192-L374 PolarHBondContact O-N 3.21Å; I193-L374 WeakPolarHBondContact CA-O 3.45Å; M194-L374 PolarHBondContact N-O 3.31Å; L206-L374 HydrophobicContact CB-CD2 4.02Å; L206-L374 HydrophobicContact CD1-CD2 3.74Å; L206-L374 HydrophobicContact CD1-CG 4.09Å; L206-L374 HydrophobicContact CG-CD2 4.47Å; L374-V376 PolarHBondContact O-N 3.4Å; L374-V391 HydrophobicContact CD1-CG1 3.55Å; L374-L395 HydrophobicContact CD1-CD1 4.16Å; L374-L395 HydrophobicContact CD1-CD2 4.13Å; L374-L395 HydrophobicContact CD1-CG 4.44Å
375L95Very high89.2Confident1 Ų142.7 Ų42.71%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-87.199.2176.7179.866.8000109.3M194 M196 T204 Q205 I207 F362 K377M194-L375 HydrophobicContact CB-CD1 3.95Å; M194-L375 HydrophobicContact CG-CD1 3.88Å; M194-L375 CarbonylContact O-C 3.59Å; M196-L375 HydrophobicContact CB-CD1 3.81Å; M196-L375 HydrophobicContact SD-CD1 4.44Å; M196-L375 HydrophobicContact SD-CD2 4.18Å; T204-L375 WeakPolarHBondContact CA-O 3.41Å; T204-L375 WeakPolarHBondContact CG2-O 3.26Å; Q205-L375 PolarHBondContact N-O 2.84Å; Q205-L375 VanDerWaalsContact N-O 3.13Å; Q205-L375 PolarHBondContact O-N 3.49Å; I207-L375 HydrophobicContact CD1-CB 3.67Å; I207-L375 HydrophobicContact CD1-CD2 3.91Å; I207-L375 HydrophobicContact CD1-CG 4.41Å; F362-L375 HydrophobicContact CE1-CD2 3.69Å; F362-L375 HydrophobicContact CZ-CD2 3.68Å; L375-K377 HydrophobicContact CG-CG 4.44Å
376V94.7Very high89.2Confident0 Ų036.7 Ų36.70%020%0.198CC..EExtended strand (participates in β ladder)trans-82119.51761790000109.1I193 M194 E195 M196 T204 L374 L384 I387I193-V376 HydrophobicContact CG2-CG2 3.76Å; M194-V376 PolarHBondContact O-N 3.02Å; E195-V376 CarbonylContact C-O 3.56Å; E195-V376 WeakPolarHBondContact CA-O 3.49Å; M196-V376 PolarHBondContact N-O 2.89Å; T204-V376 HydrophobicContact CG2-CG2 4.25Å; L374-V376 PolarHBondContact O-N 3.4Å; V376-L384 HydrophobicContact CG1-CD2 3.92Å; V376-I387 HydrophobicContact CB-CG2 4.48Å; V376-I387 HydrophobicContact CG1-CB 3.78Å; V376-I387 HydrophobicContact CG1-CD1 4.39Å; V376-I387 HydrophobicContact CG1-CG2 3.45Å; V376-I387 VanDerWaalsContact CG1-CG2 3.45Å; V376-I387 HydrophobicContact CG2-CG2 4.19Å
377K92.8Very high89.6Confident27 Ų2736.3 Ų36.312%0.11720%0.195CC..EExtended strand (participates in β ladder)trans-104151.9173.2-69.7-179.4-163.9149.80110.1M196 H198 E201 D203 T204 L375 L384M196-K377 HydrophobicContact CB-CG 4.19Å; M196-K377 HydrophobicContact CG-CG 4.48Å; M196-K377 VanDerWaalsContact O-CA 3.32Å; M196-K377 WeakPolarHBondContact O-CA 3.18Å; M196-K377 HydrophobicContact SD-CD 4.41Å; M196-K377 HydrophobicContact SD-CG 4.34Å; H198-K377 HydrophobicContact CB-CB 4.11Å; H198-K377 HydrophobicContact CB-CD 4.2Å; H198-K377 HydrophobicContact CB-CG 4.26Å; E201-K377 VanDerWaalsContact CA-O 3.31Å; E201-K377 WeakPolarHBondContact CA-O 3.31Å; D203-K377 HydrophobicContact CB-CD 3.79Å; D203-K377 WeakPolarHBondContact O-CD 3.19Å; D203-K377 PolarHBondContact O-NZ 3.23Å; D203-K377 VanDerWaalsContact O-NZ 3.13Å; T204-K377 PolarHBondContact OG1-N 3.29Å; T204-K377 VanDerWaalsContact OG1-N 3.17Å; L375-K377 HydrophobicContact CG-CG 4.44Å; K377-L384 VanDerWaalsContact C-CD2 3.48Å
378G91.4Very high90.5Very high0 Ų036.3 Ų36.30%018%0.179CC..EExtended strand (participates in β ladder)trans-179.5150.8177.900000113.3M196 K197 H198 L384M196-G378 PolarHBondContact O-N 3.21Å; K197-G378 CarbonylContact C-O 3.58Å; K197-G378 WeakPolarHBondContact CA-O 3.47Å; H198-G378 PolarHBondContact N-O 3.17Å; H198-G378 CarbonylContact O-C 3.36Å; G378-L384 VanDerWaalsContact N-CD2 3.32Å
379P91.2Very high91Very high49 Ų4932.2 Ų32.232%0.31816%0.157SC..SBendtrans-70-39.6-172.524-32.6000112.5H198 E201H198-P379 WeakPolarHBondContact O-CA 3.47Å; E201-P379 WeakPolarHBondContact OE2-CD 3.46Å
380N90.5Very high91.6Very high77 Ų7730.6 Ų30.641%0.41215%0.147SC..SBendtrans-120.5151.6-172.4-60.6-32.8000111.1H382 T383 L384N380-H382 VanDerWaalsContact C-N 3.31Å; N380-H382 WeakPolarHBondContact CB-CE1 2.99Å; N380-H382 WeakPolarHBondContact CB-NE2 3.25Å; N380-H382 PolarHBondContact ND2-CE1 3.03Å; N380-H382 PolarHBondContact ND2-NE2 2.97Å; N380-H382 PolarHBondContact O-N 3.38Å; N380-T383 PolarHBondContact O-N 3.01Å; N380-L384 WeakPolarHBondContact O-CG 3.43Å; N380-L384 PolarHBondContact O-N 2.93Å
381K89.1Confident92Very high120 Ų12024.9 Ų24.952%0.52213%0.126SC..Hα-helixtrans-59-40.7177.4-170.8-175.2175.9-163.30112.4L384 T385K381-L384 WeakPolarHBondContact O-CB 3.19Å; K381-L384 PolarHBondContact O-N 3.35Å; K381-T385 WeakPolarHBondContact O-CG2 3.15Å; K381-T385 PolarHBondContact O-N 3.24Å; K381-T385 PolarHBondContact O-OG1 3.33Å
382H87.8Confident92.1Very high63 Ų6329.6 Ų29.629%0.29214%0.143SC..Hα-helixtrans-66.6-36.9179.752.4-100.2000112.6N380 T385 Q386N380-H382 VanDerWaalsContact C-N 3.31Å; N380-H382 WeakPolarHBondContact CB-CE1 2.99Å; N380-H382 WeakPolarHBondContact CB-NE2 3.25Å; N380-H382 PolarHBondContact ND2-CE1 3.03Å; N380-H382 PolarHBondContact ND2-NE2 2.97Å; N380-H382 PolarHBondContact O-N 3.38Å; H382-T385 WeakPolarHBondContact CA-OG1 3.25Å; H382-T385 PolarHBondContact O-OG1 3.22Å; H382-Q386 WeakPolarHBondContact O-CB 3.32Å; H382-Q386 PolarHBondContact O-N 3.01Å
383T89.6Confident92.1Very high22 Ų2229.8 Ų29.814%0.13514%0.144CC..Hα-helixtrans-66.9-43.6174.7-47.50000110.6N380 T385 Q386 I387N380-T383 PolarHBondContact O-N 3.01Å; T383-T385 PolarHBondContact O-N 2.84Å; T383-Q386 PolarHBondContact O-N 3.21Å; T383-I387 HydrophobicContact CG2-CD1 3.95Å; T383-I387 WeakPolarHBondContact O-CG1 3.45Å; T383-I387 PolarHBondContact O-N 2.94Å
384L92.2Very high92Very high2 Ų229.8 Ų29.81%0.0114%0.144CC..Hα-helixtrans-58.8-46.2175.6-74.3169.6000112.1E195 K197 V376 K377 G378 N380 K381 Q386 I387 K388E195-L384 HydrophobicContact CB-CD2 4.49Å; K197-L384 HydrophobicContact CG-CD1 3.66Å; V376-L384 HydrophobicContact CG1-CD2 3.92Å; K377-L384 VanDerWaalsContact C-CD2 3.48Å; G378-L384 VanDerWaalsContact N-CD2 3.32Å; N380-L384 WeakPolarHBondContact O-CG 3.43Å; N380-L384 PolarHBondContact O-N 2.93Å; K381-L384 WeakPolarHBondContact O-CB 3.19Å; K381-L384 PolarHBondContact O-N 3.35Å; L384-Q386 VanDerWaalsContact C-N 3.35Å; L384-Q386 PolarHBondContact O-N 3.01Å; L384-I387 PolarHBondContact O-N 3.19Å; L384-K388 VanDerWaalsContact O-CB 3.25Å; L384-K388 WeakPolarHBondContact O-CB 3.5Å; L384-K388 PolarHBondContact O-N 2.78Å
385T90.7Very high92Very high41 Ų4130 Ų3025%0.25215%0.145SC..Hα-helixtrans-63.5-41.2177.649.40000111.8K381 H382 T383 K388 D389K381-T385 WeakPolarHBondContact O-CG2 3.15Å; K381-T385 PolarHBondContact O-N 3.24Å; K381-T385 PolarHBondContact O-OG1 3.33Å; H382-T385 WeakPolarHBondContact CA-OG1 3.25Å; H382-T385 PolarHBondContact O-OG1 3.22Å; T383-T385 PolarHBondContact O-N 2.84Å; T385-K388 PolarHBondContact O-N 3.49Å; T385-D389 PolarHBondContact O-N 3.38Å
386Q89.3Confident91.9Very high26 Ų2632.4 Ų32.412%0.12116%0.155CC..Hα-helixtrans-62.7-46.8177.4-179.9-177.65.300112M44 K159 H382 T383 L384 K388 D389 A390M44-Q386 PolarHBondContact SD-NE2 3.4Å; K159-Q386 PolarHBondContact O-NE2 3.43Å; H382-Q386 WeakPolarHBondContact O-CB 3.32Å; H382-Q386 PolarHBondContact O-N 3.01Å; T383-Q386 PolarHBondContact O-N 3.21Å; L384-Q386 VanDerWaalsContact C-N 3.35Å; L384-Q386 PolarHBondContact O-N 3.01Å; Q386-K388 VanDerWaalsContact C-N 3.32Å; Q386-K388 PolarHBondContact O-N 3.05Å; Q386-D389 PolarHBondContact O-N 3.31Å; Q386-A390 WeakPolarHBondContact O-CB 3.39Å; Q386-A390 PolarHBondContact O-N 2.86Å
387I92.6Very high91.9Very high2 Ų232.5 Ų32.51%0.0116%0.155CC..Hα-helixtrans-64.7-40.9178.5-64.5166.5000110.1V160 L164 L168 E201 V376 T383 L384 D389 A390 V391V160-I387 HydrophobicContact CG1-CG1 4.41Å; L164-I387 HydrophobicContact CD2-CD1 3.77Å; L164-I387 HydrophobicContact CD2-CG1 3.83Å; L168-I387 HydrophobicContact CD1-CG2 3.88Å; L168-I387 HydrophobicContact CD2-CG2 4.29Å; E201-I387 HydrophobicContact CB-CD1 3.73Å; V376-I387 HydrophobicContact CB-CG2 4.48Å; V376-I387 HydrophobicContact CG1-CB 3.78Å; V376-I387 HydrophobicContact CG1-CD1 4.39Å; V376-I387 HydrophobicContact CG1-CG2 3.45Å; V376-I387 VanDerWaalsContact CG1-CG2 3.45Å; V376-I387 HydrophobicContact CG2-CG2 4.19Å; T383-I387 HydrophobicContact CG2-CD1 3.95Å; T383-I387 WeakPolarHBondContact O-CG1 3.45Å; T383-I387 PolarHBondContact O-N 2.94Å; L384-I387 PolarHBondContact O-N 3.19Å; I387-D389 PolarHBondContact O-N 2.73Å; I387-A390 PolarHBondContact O-N 3.15Å; I387-V391 HydrophobicContact CG2-CG2 4.14Å; I387-V391 WeakPolarHBondContact O-CB 2.99Å; I387-V391 VanDerWaalsContact O-CG2 3.25Å; I387-V391 WeakPolarHBondContact O-CG2 3.44Å; I387-V391 PolarHBondContact O-N 3.03Å
388K92.9Very high92Very high55 Ų5531.2 Ų31.224%0.23915%0.149CC..Hα-helixtrans-60.5-45.1176.8170.9173.1-179.5-176.10112.7I193 E195 L384 T385 Q386 V391 R392I193-K388 HydrophobicContact CG2-CB 4.37Å; I193-K388 HydrophobicContact CG2-CD 4.44Å; I193-K388 HydrophobicContact CG2-CG 4.02Å; E195-K388 HydrophobicContact CG-CD 4.28Å; E195-K388 WeakPolarHBondContact OE1-CD 3.36Å; E195-K388 WeakPolarHBondContact OE1-CE 3.47Å; E195-K388 IonicContact OE1-NZ 3.12Å; E195-K388 PolarHBondContact OE1-NZ 2.93Å; L384-K388 VanDerWaalsContact O-CB 3.25Å; L384-K388 WeakPolarHBondContact O-CB 3.5Å; L384-K388 PolarHBondContact O-N 2.78Å; T385-K388 PolarHBondContact O-N 3.49Å; Q386-K388 VanDerWaalsContact C-N 3.32Å; Q386-K388 PolarHBondContact O-N 3.05Å; K388-V391 PolarHBondContact O-N 3.35Å; K388-R392 PolarHBondContact O-N 2.83Å
389D90.7Very high92.1Very high34 Ų3433.4 Ų33.418%0.18216%0.159CC..Hα-helixtrans-66.3-41.6177.7-67.9-26.9000110.2T385 Q386 I387 V391 R392 D393T385-D389 PolarHBondContact O-N 3.38Å; Q386-D389 PolarHBondContact O-N 3.31Å; I387-D389 PolarHBondContact O-N 2.73Å; D389-V391 PolarHBondContact O-N 3.04Å; D389-R392 WeakPolarHBondContact O-CB 3.3Å; D389-R392 PolarHBondContact O-N 3.18Å; D389-R392 IonicContact OD1-NH1 2.59Å; D389-R392 PolarHBondContact OD1-NH1 2.97Å; D389-D393 PolarHBondContact O-N 2.89Å
390A92.1Very high92.2Very high1 Ų131.7 Ų31.71%0.00815%0.147CC..Hα-helixtrans-60-42.9173.900000113.2L156 K159 V160 Q386 I387 D393 G394L156-A390 HydrophobicContact CD2-CB 4.2Å; L156-A390 VanDerWaalsContact CD2-O 3.28Å; L156-A390 WeakPolarHBondContact CD2-O 3.41Å; K159-A390 HydrophobicContact CB-CB 3.58Å; K159-A390 HydrophobicContact CG-CB 4.17Å; V160-A390 HydrophobicContact CG1-CB 3.68Å; Q386-A390 WeakPolarHBondContact O-CB 3.39Å; Q386-A390 PolarHBondContact O-N 2.86Å; I387-A390 PolarHBondContact O-N 3.15Å; A390-D393 PolarHBondContact O-N 3.09Å; A390-G394 PolarHBondContact O-N 2.82Å
391V94.4Very high92.3Very high1 Ų128 Ų281%0.00613%0.128CC..Hα-helixtrans-65.2-40.1176.5167.60000110.7L168 V172 I193 L374 I387 K388 D389 G394 L395L168-V391 HydrophobicContact CD1-CG2 4.22Å; L168-V391 HydrophobicContact CD2-CG2 4.05Å; V172-V391 HydrophobicContact CG2-CG1 4.24Å; I193-V391 HydrophobicContact CD1-CB 4.48Å; I193-V391 HydrophobicContact CD1-CG1 3.88Å; I193-V391 HydrophobicContact CG1-CG1 4.26Å; L374-V391 HydrophobicContact CD1-CG1 3.55Å; I387-V391 HydrophobicContact CG2-CG2 4.14Å; I387-V391 WeakPolarHBondContact O-CB 2.99Å; I387-V391 VanDerWaalsContact O-CG2 3.25Å; I387-V391 WeakPolarHBondContact O-CG2 3.44Å; I387-V391 PolarHBondContact O-N 3.03Å; K388-V391 PolarHBondContact O-N 3.35Å; D389-V391 PolarHBondContact O-N 3.04Å; V391-G394 PolarHBondContact O-N 2.94Å; V391-L395 HydrophobicContact CG1-CD1 3.87Å; V391-L395 HydrophobicContact CG1-CG 4.21Å; V391-L395 WeakPolarHBondContact O-CB 3.4Å; V391-L395 WeakPolarHBondContact O-CG 3.5Å; V391-L395 PolarHBondContact O-N 3.3Å
392R93.2Very high92.5Very high98 Ų9824.4 Ų24.437%0.3711%0.113SC..Hα-helixtrans-60.2-48.3175.4-179.7-168.8-77.2127-5.3111.2K388 D389 G394 L395 R396K388-R392 PolarHBondContact O-N 2.83Å; D389-R392 WeakPolarHBondContact O-CB 3.3Å; D389-R392 PolarHBondContact O-N 3.18Å; D389-R392 IonicContact OD1-NH1 2.59Å; D389-R392 PolarHBondContact OD1-NH1 2.97Å; R392-G394 VanDerWaalsContact C-N 3.35Å; R392-L395 PolarHBondContact O-N 3.43Å; R392-R396 PolarHBondContact O-N 3.42Å
393D92.6Very high92.6Very high4 Ų425.9 Ų25.92%0.02112%0.12CC..Hα-helixtrans-63.1-44.1179.9-66.53.2000110.1K159 D389 A390 L395 R396 A397K159-D393 WeakPolarHBondContact CE-OD2 3.37Å; K159-D393 IonicContact NZ-OD2 2.82Å; K159-D393 PolarHBondContact NZ-OD2 2.92Å; D389-D393 PolarHBondContact O-N 2.89Å; A390-D393 PolarHBondContact O-N 3.09Å; D393-L395 PolarHBondContact O-N 2.88Å; D393-R396 PolarHBondContact O-N 2.86Å; D393-A397 WeakPolarHBondContact O-CB 3.13Å; D393-A397 PolarHBondContact O-N 2.85Å
394G93.7Very high92.7Very high0 Ų027.2 Ų27.20%013%0.127CC..Hα-helixtrans-61.2-43.2175.600000113.5A390 V391 R392 R396 A397 V398A390-G394 PolarHBondContact O-N 2.82Å; V391-G394 PolarHBondContact O-N 2.94Å; R392-G394 VanDerWaalsContact C-N 3.35Å; G394-R396 VanDerWaalsContact C-N 3.34Å; G394-R396 PolarHBondContact O-N 3.24Å; G394-A397 PolarHBondContact O-N 3.36Å; G394-V398 WeakPolarHBondContact O-CG2 3.14Å; G394-V398 PolarHBondContact O-N 3.3Å
395L95.1Very high92.6Very high6 Ų628.5 Ų28.53%0.03114%0.141CC..Hα-helixtrans-61.4-42.1175.4-74168.7000111.5V172 A175 V176 L188 V191 I193 L374 V391 R392 D393 K399V172-L395 HydrophobicContact CG1-CD2 3.96Å; V172-L395 HydrophobicContact CG1-CG 4.2Å; A175-L395 HydrophobicContact CB-CD2 4.21Å; V176-L395 HydrophobicContact CG2-CD2 3.58Å; L188-L395 HydrophobicContact CD2-CB 4.18Å; V191-L395 HydrophobicContact CB-CD1 4.3Å; V191-L395 HydrophobicContact CG1-CD1 3.87Å; V191-L395 HydrophobicContact CG1-CD2 4.22Å; V191-L395 HydrophobicContact CG2-CD2 4.4Å; I193-L395 HydrophobicContact CD1-CD1 4.15Å; I193-L395 HydrophobicContact CG1-CD1 4.49Å; L374-L395 HydrophobicContact CD1-CD1 4.16Å; L374-L395 HydrophobicContact CD1-CD2 4.13Å; L374-L395 HydrophobicContact CD1-CG 4.44Å; V391-L395 HydrophobicContact CG1-CD1 3.87Å; V391-L395 HydrophobicContact CG1-CG 4.21Å; V391-L395 WeakPolarHBondContact O-CB 3.4Å; V391-L395 WeakPolarHBondContact O-CG 3.5Å; V391-L395 PolarHBondContact O-N 3.3Å; R392-L395 PolarHBondContact O-N 3.43Å; D393-L395 PolarHBondContact O-N 2.88Å; L395-K399 WeakPolarHBondContact O-CB 3.43Å; L395-K399 PolarHBondContact O-N 2.82Å
396R94.2Very high92.7Very high53 Ų5326.9 Ų26.920%0.213%0.131CC..Hα-helixtrans-66.4-43175.7-76.3-176.4170.5172.1-17.5111.8D85 G89 L188 R392 D393 G394 V398 K399 N400D85-R396 PolarHBondContact O-NH1 2.9Å; D85-R396 IonicContact OD2-NH1 2.91Å; D85-R396 PolarHBondContact OD2-NH1 2.85Å; D85-R396 VanDerWaalsContact OD2-NH1 3.1Å; G89-R396 VanDerWaalsContact CA-CD 3.42Å; L188-R396 HydrophobicContact CD1-CB 4.33Å; L188-R396 HydrophobicContact CD1-CG 3.49Å; L188-R396 VanDerWaalsContact CD1-CG 3.49Å; R392-R396 PolarHBondContact O-N 3.42Å; D393-R396 PolarHBondContact O-N 2.86Å; G394-R396 VanDerWaalsContact C-N 3.34Å; G394-R396 PolarHBondContact O-N 3.24Å; R396-V398 PolarHBondContact O-N 3.02Å; R396-K399 PolarHBondContact O-N 3.47Å; R396-N400 WeakPolarHBondContact O-CB 3.39Å; R396-N400 PolarHBondContact O-N 3.34Å; R396-N400 PolarHBondContact O-ND2 3.43Å; R396-N400 PolarHBondContact O-OD1 3.07Å
397A94.1Very high92.9Very high1 Ų125.6 Ų25.61%0.00813%0.125CC..Hα-helixtrans-60-44.6177.100000112.3V151 D393 G394 N400 A401 N497V151-A397 HydrophobicContact CG1-CB 4.28Å; D393-A397 WeakPolarHBondContact O-CB 3.13Å; D393-A397 PolarHBondContact O-N 2.85Å; G394-A397 PolarHBondContact O-N 3.36Å; A397-N400 PolarHBondContact O-N 3.1Å; A397-A401 PolarHBondContact O-N 2.8Å; A397-A401 VanDerWaalsContact O-N 3.09Å; A397-N497 PolarHBondContact O-ND2 2.78Å; A397-N497 PolarHBondContact O-OD1 3.48Å
398V94.7Very high92.9Very high0 Ų025.5 Ų25.50%013%0.125CC..Hα-helixtrans-66.5-43.7176.2176.30000111.3L148 A152 V172 V173 V176 G394 R396 N400 A401 I402L148-V398 HydrophobicContact CB-CG1 4.4Å; L148-V398 HydrophobicContact CD2-CG1 4.16Å; A152-V398 HydrophobicContact CB-CG2 3.6Å; V172-V398 HydrophobicContact CG1-CG2 4.07Å; V173-V398 HydrophobicContact CG2-CG2 4.23Å; V176-V398 HydrophobicContact CB-CG1 3.86Å; V176-V398 HydrophobicContact CG1-CG1 3.89Å; V176-V398 HydrophobicContact CG2-CB 4.21Å; V176-V398 HydrophobicContact CG2-CG1 4Å; G394-V398 WeakPolarHBondContact O-CG2 3.14Å; G394-V398 PolarHBondContact O-N 3.3Å; R396-V398 PolarHBondContact O-N 3.02Å; V398-N400 VanDerWaalsContact C-N 3.33Å; V398-N400 PolarHBondContact O-N 3.35Å; V398-A401 PolarHBondContact O-N 3.35Å; V398-I402 HydrophobicContact CG1-CD1 4.16Å; V398-I402 WeakPolarHBondContact O-CG1 3.34Å; V398-I402 PolarHBondContact O-N 3.45Å; V398-I402 VanDerWaalsContact O-N 3.12Å
399K93.9Very high92.9Very high46 Ų4623.1 Ų23.120%0.212%0.115CC..Hα-helixtrans-55-50174.7165.3175.91741720111.2I186 L188 L395 R396 A401 I402 E403I186-K399 HydrophobicContact CB-CD 4.21Å; I186-K399 HydrophobicContact CB-CG 4.16Å; I186-K399 HydrophobicContact CG2-CD 4.34Å; I186-K399 HydrophobicContact CG2-CG 4.39Å; I186-K399 VanDerWaalsContact O-CE 3.3Å; I186-K399 WeakPolarHBondContact O-CE 3.34Å; I186-K399 PolarHBondContact O-NZ 3.43Å; L188-K399 HydrophobicContact CD1-CB 4.43Å; L188-K399 HydrophobicContact CD1-CD 3.82Å; L188-K399 HydrophobicContact CD2-CB 4.18Å; L188-K399 HydrophobicContact CD2-CD 4.2Å; L188-K399 HydrophobicContact CG-CD 3.75Å; L395-K399 WeakPolarHBondContact O-CB 3.43Å; L395-K399 PolarHBondContact O-N 2.82Å; R396-K399 PolarHBondContact O-N 3.47Å; K399-A401 VanDerWaalsContact C-N 3.27Å; K399-A401 PolarHBondContact O-N 3.38Å; K399-I402 PolarHBondContact O-N 2.91Å; K399-I402 VanDerWaalsContact O-N 3.13Å; K399-E403 WeakPolarHBondContact CE-OE1 3.28Å; K399-E403 WeakPolarHBondContact CE-OE2 3.34Å; K399-E403 HydrophobicContact CG-CG 4.43Å; K399-E403 IonicContact NZ-OE1 3.85Å; K399-E403 PolarHBondContact O-N 2.69Å
400N93.4Very high93Very high13 Ų1321.5 Ų21.57%0.0711%0.106CC..Hα-helixtrans-61.6-37.6-178.9-65-13.7000111.2T88 R396 A397 V398 I402 E403 D404 N497T88-N400 PolarHBondContact O-ND2 3.4Å; R396-N400 WeakPolarHBondContact O-CB 3.39Å; R396-N400 PolarHBondContact O-N 3.34Å; R396-N400 PolarHBondContact O-ND2 3.43Å; R396-N400 PolarHBondContact O-OD1 3.07Å; A397-N400 PolarHBondContact O-N 3.1Å; V398-N400 VanDerWaalsContact C-N 3.33Å; V398-N400 PolarHBondContact O-N 3.35Å; N400-I402 VanDerWaalsContact C-N 3.34Å; N400-I402 PolarHBondContact O-N 3.23Å; N400-E403 PolarHBondContact O-N 3.38Å; N400-D404 WeakPolarHBondContact O-CB 3.34Å; N400-D404 PolarHBondContact O-N 3.48Å; N400-N497 HydrophobicContact CB-CB 4.31Å
401A92.8Very high93Very high0 Ų022.2 Ų22.20%011%0.112CC..Hα-helixtrans-63.5-39.8176.600000112.1M143 L148 V151 A397 V398 K399 G405 V407 N497M143-A401 WeakPolarHBondContact CE-O 2.92Å; M143-A401 HydrophobicContact SD-CB 4.28Å; L148-A401 HydrophobicContact CD2-CB 4.06Å; V151-A401 HydrophobicContact CG1-CB 4.21Å; V151-A401 HydrophobicContact CG2-CB 4.34Å; A397-A401 PolarHBondContact O-N 2.8Å; A397-A401 VanDerWaalsContact O-N 3.09Å; V398-A401 PolarHBondContact O-N 3.35Å; K399-A401 VanDerWaalsContact C-N 3.27Å; K399-A401 PolarHBondContact O-N 3.38Å; A401-G405 PolarHBondContact O-N 2.92Å; A401-G405 VanDerWaalsContact O-N 3.17Å; A401-V407 HydrophobicContact CB-CG1 4.44Å; A401-N497 PolarHBondContact N-ND2 3.01Å; A401-N497 VanDerWaalsContact N-ND2 3.13Å
402I92.2Very high92.9Very high44 Ų4422.2 Ų22.223%0.22611%0.112CC..Hα-helixtrans-69-42.9177.3-62.4168000111.1L148 V176 I186 V398 K399 N400L148-I402 HydrophobicContact CD1-CD1 4.11Å; L148-I402 HydrophobicContact CD1-CG1 4.13Å; L148-I402 HydrophobicContact CD2-CD1 4.46Å; L148-I402 HydrophobicContact CD2-CG1 3.82Å; V176-I402 HydrophobicContact CG1-CD1 3.56Å; I186-I402 HydrophobicContact CD1-CB 3.96Å; I186-I402 HydrophobicContact CD1-CD1 3.81Å; I186-I402 HydrophobicContact CD1-CG2 3.79Å; V398-I402 HydrophobicContact CG1-CD1 4.16Å; V398-I402 WeakPolarHBondContact O-CG1 3.34Å; V398-I402 PolarHBondContact O-N 3.45Å; V398-I402 VanDerWaalsContact O-N 3.12Å; K399-I402 PolarHBondContact O-N 2.91Å; K399-I402 VanDerWaalsContact O-N 3.13Å; N400-I402 VanDerWaalsContact C-N 3.34Å; N400-I402 PolarHBondContact O-N 3.23Å
403E90.6Very high92.9Very high94 Ų9417.6 Ų17.644%0.43910%0.095SC..Hα-helixtrans-71.3-37.9-179.6-69.7-176.3162.500112.6I186 K399 N400I186-E403 PolarHBondContact N-OE1 3.32Å; K399-E403 WeakPolarHBondContact CE-OE1 3.28Å; K399-E403 WeakPolarHBondContact CE-OE2 3.34Å; K399-E403 HydrophobicContact CG-CG 4.43Å; K399-E403 IonicContact NZ-OE1 3.85Å; K399-E403 PolarHBondContact O-N 2.69Å; N400-E403 PolarHBondContact O-N 3.38Å
404D90.4Very high93Very high50 Ų5017.5 Ų17.527%0.2679%0.094SC..Hα-helixtrans-75.2-28-179.5-72.5-27000112.8N400 C406 S499N400-D404 WeakPolarHBondContact O-CB 3.34Å; N400-D404 PolarHBondContact O-N 3.48Å; D404-C406 PolarHBondContact O-N 3.36Å; D404-C406 PolarHBondContact O-SG 2.85Å; D404-C406 VanDerWaalsContact O-SG 3.41Å; D404-S499 WeakPolarHBondContact OD2-CB 3.33Å; D404-S499 PolarHBondContact OD2-N 2.93Å; D404-S499 PolarHBondContact OD2-OG 2.89Å
405G90.6Very high93.1Very high30 Ų3017.6 Ų17.631%0.30910%0.095SC..SBendtrans6211.2-175.400000114.5A401A401-G405 PolarHBondContact O-N 2.92Å; A401-G405 VanDerWaalsContact O-N 3.17Å
406C92.9Very high93Very high6 Ų617.4 Ų17.44%0.0419%0.094CC..EExtended strand (participates in β ladder)trans-147.4155.2177.458.90000111.3K138 V139 M143 D404K138-C406 HydrophobicContact CB-CB 4.4Å; K138-C406 HydrophobicContact CD-CB 4.41Å; K138-C406 HydrophobicContact CG-CB 4.48Å; V139-C406 WeakPolarHBondContact O-CA 3.42Å; M143-C406 VanDerWaalsContact CE-N 3.28Å; D404-C406 PolarHBondContact O-N 3.36Å; D404-C406 PolarHBondContact O-SG 2.85Å; D404-C406 VanDerWaalsContact O-SG 3.41Å
407V92.9Very high93Very high0 Ų014.9 Ų14.90%08%0.084CC..EExtended strand (participates in β ladder)trans-130.3157.7177.3-72.30000110.1V139 M143 V151 A401 W495V139-V407 PolarHBondContact N-O 2.65Å; V139-V407 PolarHBondContact O-N 3.48Å; M143-V407 HydrophobicContact CE-CG1 4.07Å; M143-V407 HydrophobicContact SD-CG1 4.48Å; V151-V407 HydrophobicContact CG2-CG1 3.95Å; A401-V407 HydrophobicContact CB-CG1 4.44Å; V407-W495 HydrophobicContact CB-CB 4.37Å; V407-W495 HydrophobicContact CB-CD2 4.29Å; V407-W495 HydrophobicContact CB-CE3 3.87Å; V407-W495 HydrophobicContact CG2-CD2 3.88Å; V407-W495 HydrophobicContact CG2-CE3 3.49Å; V407-W495 VanDerWaalsContact CG2-CE3 3.49Å; V407-W495 HydrophobicContact CG2-CG 4.45Å; V407-W495 HydrophobicContact CG2-CZ3 3.86Å
408V93.7Very high93.1Very high0 Ų014.9 Ų14.90%08%0.084CC..EExtended strand (participates in β ladder)trans-120.8140.6180-177.50000108.8L134 K138 G410 F414 D496L134-V408 HydrophobicContact CD1-CG1 4.44Å; L134-V408 HydrophobicContact CD1-CG2 3.83Å; K138-V408 HydrophobicContact CB-CG2 4.45Å; V408-G410 PolarHBondContact O-N 2.85Å; V408-F414 HydrophobicContact CG1-CB 3.91Å; V408-F414 HydrophobicContact CG1-CD2 3.89Å; V408-F414 HydrophobicContact CG1-CG 4.02Å; V408-D496 PolarHBondContact N-O 3.42Å; V408-D496 PolarHBondContact O-N 3.12Å
409S93Very high93.1Very high5 Ų515 Ų154%0.0359%0.086CC..EExtended strand (participates in β ladder)trans-61.4125.7176-63.80000111.2L476S409-L476 WeakPolarHBondContact OG-CD1 3.21Å
410G92.5Very high93.1Very high0 Ų013.9 Ų13.90%08%0.082CC..THydrogen-bonded Turntrans-86.7-147.1-177.100000113.8V408 G412 A413 V494 D496V408-G410 PolarHBondContact O-N 2.85Å; G410-G412 PolarHBondContact O-N 2.99Å; G410-A413 VanDerWaalsContact O-CB 3.23Å; G410-A413 WeakPolarHBondContact O-CB 3.38Å; G410-A413 PolarHBondContact O-N 2.87Å; G410-V494 PolarHBondContact N-O 3.49Å; G410-D496 WeakPolarHBondContact CA-OD2 3.44Å
411A92.4Very high93.1Very high16 Ų1614.3 Ų14.313%0.1329%0.087CC..THydrogen-bonded Turntrans55.622.8177.100000115.8A413 G478 V479 M487 A489 V494A411-A413 VanDerWaalsContact C-N 3.34Å; A411-G478 WeakPolarHBondContact O-CA 3.33Å; A411-V479 PolarHBondContact O-N 3.16Å; A411-M487 HydrophobicContact CB-CE 3.94Å; A411-A489 HydrophobicContact CB-CB 4.35Å; A411-V494 HydrophobicContact CB-CG1 4.15Å
412G91.4Very high93.2Very high1 Ų114.3 Ų14.31%0.019%0.087CC..THydrogen-bonded Turntrans86.30.2-17700000114.7G410 E415 V416G410-G412 PolarHBondContact O-N 2.99Å; G412-E415 WeakPolarHBondContact CA-OE2 3.35Å; G412-E415 PolarHBondContact O-N 2.83Å; G412-V416 WeakPolarHBondContact O-CG2 3.47Å; G412-V416 PolarHBondContact O-N 3.33Å; G412-V416 VanDerWaalsContact O-N 3.15Å
413A94Very high93.2Very high0 Ų015.4 Ų15.40%010%0.096CC..Hα-helixtrans-64.6-42.9-17700000112G410 A411 E415 V416 A417 L476 V477 A489G410-A413 VanDerWaalsContact O-CB 3.23Å; G410-A413 WeakPolarHBondContact O-CB 3.38Å; G410-A413 PolarHBondContact O-N 2.87Å; A411-A413 VanDerWaalsContact C-N 3.34Å; A413-E415 PolarHBondContact O-N 2.68Å; A413-V416 PolarHBondContact O-N 2.77Å; A413-A417 WeakPolarHBondContact O-CB 3.49Å; A413-A417 PolarHBondContact O-N 2.96Å; A413-L476 HydrophobicContact CB-CB 4.13Å; A413-V477 VanDerWaalsContact CA-O 3.29Å; A413-V477 WeakPolarHBondContact CA-O 3.48Å; A413-V477 WeakPolarHBondContact CB-O 3.17Å; A413-A489 HydrophobicContact CB-CB 4.22Å
414F94.3Very high93.3Very high2 Ų217.6 Ų17.61%0.00910%0.104CC..Hα-helixtrans-58.5-46.2175173-109.2000111.9L134 V137 V408 V416 A417 V418 K501 L505L134-F414 HydrophobicContact CB-CE2 3.83Å; L134-F414 HydrophobicContact CB-CZ 3.93Å; L134-F414 HydrophobicContact CD1-CD2 4.08Å; L134-F414 HydrophobicContact CD1-CE1 4.47Å; L134-F414 HydrophobicContact CD1-CE2 3.39Å; L134-F414 HydrophobicContact CD1-CZ 3.61Å; L134-F414 HydrophobicContact CG-CE2 4.17Å; L134-F414 HydrophobicContact CG-CZ 4.22Å; V137-F414 HydrophobicContact CG1-CD2 4.34Å; V408-F414 HydrophobicContact CG1-CB 3.91Å; V408-F414 HydrophobicContact CG1-CD2 3.89Å; V408-F414 HydrophobicContact CG1-CG 4.02Å; F414-V416 PolarHBondContact O-N 2.8Å; F414-A417 PolarHBondContact O-N 2.82Å; F414-V418 HydrophobicContact CD1-CG2 4.43Å; F414-V418 HydrophobicContact CD2-CG2 3.91Å; F414-V418 HydrophobicContact CE1-CG2 4Å; F414-V418 HydrophobicContact CE2-CG2 3.39Å; F414-V418 HydrophobicContact CG-CG2 4.4Å; F414-V418 HydrophobicContact CZ-CG2 3.46Å; F414-V418 VanDerWaalsContact CZ-CG2 3.46Å; F414-V418 VanDerWaalsContact O-CG2 3.31Å; F414-V418 WeakPolarHBondContact O-CG2 3.25Å; F414-V418 PolarHBondContact O-N 2.87Å; F414-K501 HydrophobicContact CD1-CD 3.86Å; F414-K501 HydrophobicContact CD1-CG 4.26Å; F414-K501 HydrophobicContact CE1-CB 4.19Å; F414-K501 HydrophobicContact CE1-CD 4.2Å; F414-K501 HydrophobicContact CE1-CG 4.4Å; F414-L505 HydrophobicContact CE1-CD1 4.02Å; F414-L505 HydrophobicContact CZ-CD1 3.77Å
415E95.3Very high93.4Very high2 Ų217.5 Ų17.51%0.00910%0.101CC..Hα-helixtrans-64.5-39-177.8-70.176.1-169.700112.4G412 A413 A419 L444 I447 K501G412-E415 WeakPolarHBondContact CA-OE2 3.35Å; G412-E415 PolarHBondContact O-N 2.83Å; A413-E415 PolarHBondContact O-N 2.68Å; E415-A419 VanDerWaalsContact O-CB 3.31Å; E415-A419 WeakPolarHBondContact O-CB 3.32Å; E415-A419 PolarHBondContact O-N 2.62Å; E415-L444 HydrophobicContact CB-CB 4.45Å; E415-I447 HydrophobicContact CG-CB 4.12Å; E415-I447 HydrophobicContact CG-CD1 3.9Å; E415-I447 HydrophobicContact CG-CG1 4.39Å; E415-I447 WeakPolarHBondContact OE1-CD1 3.31Å; E415-K501 IonicContact OE1-NZ 3.93Å; E415-K501 PolarHBondContact OE1-NZ 3.04Å; E415-K501 IonicContact OE2-NZ 2.9Å
416V94.6Very high93.4Very high3 Ų318.7 Ų18.72%0.01810%0.098CC..Hα-helixtrans-65.5-44.4174.9174.70000110.8G412 A413 F414 A419 D420 L445 P448 L466 Q467 Y470G412-V416 WeakPolarHBondContact O-CG2 3.47Å; G412-V416 PolarHBondContact O-N 3.33Å; G412-V416 VanDerWaalsContact O-N 3.15Å; A413-V416 PolarHBondContact O-N 2.77Å; F414-V416 PolarHBondContact O-N 2.8Å; V416-A419 PolarHBondContact O-N 3.01Å; V416-D420 PolarHBondContact O-N 2.87Å; V416-L445 HydrophobicContact CG2-CD2 4.19Å; V416-P448 HydrophobicContact CG2-CG 4.2Å; V416-L466 HydrophobicContact CG2-CD1 4.49Å; V416-Q467 HydrophobicContact CG1-CG 4.32Å; V416-Y470 HydrophobicContact CG1-CD1 4.39Å; V416-Y470 HydrophobicContact CG1-CG 4.1Å
417A94.1Very high93.2Very high0 Ų022.7 Ų22.70%012%0.124CC..Hα-helixtrans-61.7-45.2178.700000112.4A413 F414 A421 Y470 L476A413-A417 WeakPolarHBondContact O-CB 3.49Å; A413-A417 PolarHBondContact O-N 2.96Å; F414-A417 PolarHBondContact O-N 2.82Å; A417-A421 WeakPolarHBondContact O-CB 3.25Å; A417-A421 PolarHBondContact O-N 2.78Å; A417-Y470 WeakPolarHBondContact CA-OH 3.21Å; A417-Y470 HydrophobicContact CB-CE1 4.47Å; A417-Y470 HydrophobicContact CB-CE2 3.7Å; A417-Y470 VanDerWaalsContact CB-OH 3.3Å; A417-Y470 WeakPolarHBondContact CB-OH 3.2Å; A417-L476 HydrophobicContact CB-CD2 3.88Å
418V94.8Very high93.1Very high0 Ų028.3 Ų28.30%015%0.154CC..Hα-helixtrans-65.6-42.6177.2176.40000111.1A130 V133 F414 D420 A421 L422 L444A130-V418 HydrophobicContact CB-CG1 3.61Å; V133-V418 HydrophobicContact CB-CG2 4.4Å; V133-V418 HydrophobicContact CG1-CG2 3.9Å; F414-V418 HydrophobicContact CD1-CG2 4.43Å; F414-V418 HydrophobicContact CD2-CG2 3.91Å; F414-V418 HydrophobicContact CE1-CG2 4Å; F414-V418 HydrophobicContact CE2-CG2 3.39Å; F414-V418 HydrophobicContact CG-CG2 4.4Å; F414-V418 HydrophobicContact CZ-CG2 3.46Å; F414-V418 VanDerWaalsContact CZ-CG2 3.46Å; F414-V418 VanDerWaalsContact O-CG2 3.31Å; F414-V418 WeakPolarHBondContact O-CG2 3.25Å; F414-V418 PolarHBondContact O-N 2.87Å; V418-D420 PolarHBondContact O-N 2.62Å; V418-A421 PolarHBondContact O-N 2.93Å; V418-L422 HydrophobicContact CG1-CD1 3.83Å; V418-L422 HydrophobicContact CG1-CG 4.13Å; V418-L422 WeakPolarHBondContact O-CB 3.42Å; V418-L422 VanDerWaalsContact O-CG 3.26Å; V418-L422 WeakPolarHBondContact O-CG 3.48Å; V418-L422 PolarHBondContact O-N 3.39Å; V418-L444 HydrophobicContact CB-CD1 3.95Å; V418-L444 HydrophobicContact CG1-CD1 3.36Å
419A94.9Very high92.8Very high4 Ų429.2 Ų29.23%0.03316%0.159CC..Hα-helixtrans-60.1-45.3178.700000111.9E415 V416 L422 V423 L445E415-A419 VanDerWaalsContact O-CB 3.31Å; E415-A419 WeakPolarHBondContact O-CB 3.32Å; E415-A419 PolarHBondContact O-N 2.62Å; V416-A419 PolarHBondContact O-N 3.01Å; A419-L422 PolarHBondContact O-N 3.4Å; A419-V423 VanDerWaalsContact O-CG2 3.32Å; A419-V423 WeakPolarHBondContact O-CG2 3.49Å; A419-V423 PolarHBondContact O-N 3.38Å; A419-L445 HydrophobicContact CB-CD1 4.43Å; A419-L445 HydrophobicContact CB-CD2 3.64Å; A419-L445 HydrophobicContact CB-CG 4Å
420D94.1Very high92.4Very high22 Ų2238.2 Ų38.212%0.11820%0.198CC..Hα-helixtrans-63.5-42.6176.5-177.873.1000112V416 V418 L422 V423 K424 Y470V416-D420 PolarHBondContact O-N 2.87Å; V418-D420 PolarHBondContact O-N 2.62Å; D420-L422 VanDerWaalsContact C-N 3.35Å; D420-L422 PolarHBondContact O-N 2.94Å; D420-V423 PolarHBondContact O-N 3.49Å; D420-K424 WeakPolarHBondContact O-CG 3.3Å; D420-K424 PolarHBondContact O-N 3.16Å; D420-K424 WeakPolarHBondContact OD2-CE 3.39Å; D420-K424 IonicContact OD2-NZ 2.66Å; D420-K424 PolarHBondContact OD2-NZ 3.39Å; D420-Y470 HydrophobicContact CB-CD1 4.22Å; D420-Y470 HydrophobicContact CB-CE1 3.85Å
421A93.8Very high92.1Very high21 Ų2140.9 Ų40.917%0.17423%0.225CC..Hα-helixtrans-63.3-38.5176.800000112.7V133 A417 V418 K424 H425V133-A421 HydrophobicContact CG1-CB 4.38Å; V133-A421 HydrophobicContact CG2-CB 3.65Å; A417-A421 WeakPolarHBondContact O-CB 3.25Å; A417-A421 PolarHBondContact O-N 2.78Å; V418-A421 PolarHBondContact O-N 2.93Å; A421-K424 PolarHBondContact O-N 3.22Å; A421-H425 WeakPolarHBondContact O-CB 3.26Å; A421-H425 PolarHBondContact O-N 3.3Å
422L94.6Very high91.9Very high0 Ų048.4 Ų48.40%025%0.25CS..Hα-helixtrans-69.1-39.9176.5-72175.4000112.1A126 K129 V418 A419 D420 K424 H425 K426 V437 F440 A441 L444A126-L422 HydrophobicContact CB-CD1 4.43Å; A126-L422 HydrophobicContact CB-CD2 4.04Å; A126-L422 WeakPolarHBondContact O-CD2 3.43Å; K129-L422 HydrophobicContact CB-CD2 3.99Å; K129-L422 HydrophobicContact CG-CD2 4.15Å; V418-L422 HydrophobicContact CG1-CD1 3.83Å; V418-L422 HydrophobicContact CG1-CG 4.13Å; V418-L422 WeakPolarHBondContact O-CB 3.42Å; V418-L422 VanDerWaalsContact O-CG 3.26Å; V418-L422 WeakPolarHBondContact O-CG 3.48Å; V418-L422 PolarHBondContact O-N 3.39Å; A419-L422 PolarHBondContact O-N 3.4Å; D420-L422 VanDerWaalsContact C-N 3.35Å; D420-L422 PolarHBondContact O-N 2.94Å; L422-K424 VanDerWaalsContact C-N 3.3Å; L422-K424 PolarHBondContact O-N 3.23Å; L422-H425 CarbonylContact O-C 3.58Å; L422-H425 PolarHBondContact O-N 2.85Å; L422-H425 VanDerWaalsContact O-N 3.1Å; L422-K426 PolarHBondContact O-N 2.88Å; L422-V437 HydrophobicContact CB-CG1 4.32Å; L422-V437 HydrophobicContact CD2-CG1 4.36Å; L422-F440 HydrophobicContact CD1-CD1 3.6Å; L422-F440 HydrophobicContact CD1-CE1 4.2Å; L422-A441 HydrophobicContact CB-CB 3.83Å; L422-A441 HydrophobicContact CD1-CB 4.16Å; L422-L444 HydrophobicContact CD1-CD1 4.08Å
423V93.1Very high91.9Very high68 Ų6849 Ų4941%0.41226%0.255SS..Hα-helixtrans-61.5-40.9174.3170.70000110.8A419 D420 H425 K426 A441A419-V423 VanDerWaalsContact O-CG2 3.32Å; A419-V423 WeakPolarHBondContact O-CG2 3.49Å; A419-V423 PolarHBondContact O-N 3.38Å; D420-V423 PolarHBondContact O-N 3.49Å; V423-H425 VanDerWaalsContact C-N 3.33Å; V423-K426 VanDerWaalsContact O-CB 3.31Å; V423-K426 WeakPolarHBondContact O-CB 2.85Å; V423-K426 PolarHBondContact O-N 2.81Å; V423-A441 HydrophobicContact CG2-CB 4.19Å
424K92.4Very high91.9Very high140 Ų14052 Ų5261%0.60927%0.269SS*.Hα-helixtrans-67.1-31.5173.1-72169.3176.8165.10113D420 A421 L422 P427D420-K424 WeakPolarHBondContact O-CG 3.3Å; D420-K424 PolarHBondContact O-N 3.16Å; D420-K424 WeakPolarHBondContact OD2-CE 3.39Å; D420-K424 IonicContact OD2-NZ 2.66Å; D420-K424 PolarHBondContact OD2-NZ 3.39Å; A421-K424 PolarHBondContact O-N 3.22Å; L422-K424 VanDerWaalsContact C-N 3.3Å; L422-K424 PolarHBondContact O-N 3.23Å; K424-P427 WeakPolarHBondContact O-CD 3.48Å
425H91.7Very high91.8Very high48 Ų4854.3 Ų54.322%0.22228%0.281CS..Hα-helixtrans-79.9-25.1179.2-172.473.3000113.5K129 A421 L422 V423 P427 N428K129-H425 HydrophobicContact CG-CB 4.14Å; A421-H425 WeakPolarHBondContact O-CB 3.26Å; A421-H425 PolarHBondContact O-N 3.3Å; L422-H425 CarbonylContact O-C 3.58Å; L422-H425 PolarHBondContact O-N 2.85Å; L422-H425 VanDerWaalsContact O-N 3.1Å; V423-H425 VanDerWaalsContact C-N 3.33Å; H425-P427 VanDerWaalsContact C-CD 3.45Å; H425-N428 WeakPolarHBondContact O-CB 3.19Å; H425-N428 PolarHBondContact O-N 3.4Å
426K90.4Very high91.7Very high55 Ų5554.2 Ų54.224%0.23928%0.281CS..G310 helixtrans-40.3-51.1179.4-174.2-178.2-177.1175.70115.2L422 V423 N428 V429 Q434L422-K426 PolarHBondContact O-N 2.88Å; V423-K426 VanDerWaalsContact O-CB 3.31Å; V423-K426 WeakPolarHBondContact O-CB 2.85Å; V423-K426 PolarHBondContact O-N 2.81Å; K426-N428 PolarHBondContact O-N 3.07Å; K426-N428 VanDerWaalsContact O-N 3.16Å; K426-V429 PolarHBondContact O-N 3.28Å; K426-Q434 HydrophobicContact CG-CB 4.06Å; K426-Q434 HydrophobicContact CG-CG 4.48Å; K426-Q434 WeakPolarHBondContact O-CG 3.47Å
427P90.3Very high91.8Very high90 Ų9054.1 Ų54.158%0.58428%0.281SS*.G310 helixtrans-62.6-21.4-179.124-35.5000114.5K424 H425K424-P427 WeakPolarHBondContact O-CD 3.48Å; H425-P427 VanDerWaalsContact C-CD 3.45Å
428N89.5Confident91.8Very high118 Ų11855.6 Ų55.663%0.63129%0.287SS*.G310 helixtrans-79.1-21.5-179.9-61.9-31.8000112.9H425 K426H425-N428 WeakPolarHBondContact O-CB 3.19Å; H425-N428 PolarHBondContact O-N 3.4Å; K426-N428 PolarHBondContact O-N 3.07Å; K426-N428 VanDerWaalsContact O-N 3.16Å
429V88.3Confident91.8Very high18 Ų1855.6 Ų55.611%0.10929%0.287CS..SBendtrans-79.9133179.6-179.60000109.3K426 A433 Q434 V437K426-V429 PolarHBondContact O-N 3.28Å; V429-A433 HydrophobicContact CG1-CB 3.94Å; V429-Q434 HydrophobicContact CB-CG 4.18Å; V429-Q434 WeakPolarHBondContact O-CG 3.42Å; V429-Q434 PolarHBondContact O-NE2 3.4Å; V429-V437 HydrophobicContact CB-CG2 4.43Å; V429-V437 HydrophobicContact CG1-CG2 4.31Å; V429-V437 HydrophobicContact CG2-CG2 4.04Å
430K83.9Confident91.9Very high194 Ų19455.4 Ų55.484%0.84329%0.286SS*.  trans-78.9134.3-173.6-67.7-177.8179.5177.40112
431G87.1Confident92Very high56 Ų5654.4 Ų54.458%0.57728%0.281SS*.G310 helixtrans71.2-146.5165.500000114.7A433 Q434G431-A433 VanDerWaalsContact C-N 3.25Å; G431-A433 PolarHBondContact O-N 3.08Å; G431-Q434 VanDerWaalsContact O-CG 3.3Å; G431-Q434 WeakPolarHBondContact O-CG 3.22Å; G431-Q434 PolarHBondContact O-N 3.35Å
432R88.1Confident92.1Very high174 Ų17455.6 Ų55.666%0.65728%0.284SS*.G310 helixtrans-72-14.5-173.8-67.1-176.3178.7-171.5-0.9114.1L114 I118 Q434 L435L114-R432 HydrophobicContact CD2-CB 4.13Å; L114-R432 HydrophobicContact CD2-CG 4.47Å; I118-R432 HydrophobicContact CD1-CB 4.35Å; I118-R432 VanDerWaalsContact CG2-C 3.49Å; I118-R432 HydrophobicContact CG2-CB 3.68Å; R432-Q434 PolarHBondContact O-N 3.21Å; R432-L435 PolarHBondContact O-N 2.82Å
433A90.9Very high92.1Very high14 Ų1455.6 Ų55.612%0.11628%0.284CS..G310 helixtrans-63.4-19.4176.700000113I118 G122 V429 G431 L435 G436 V437I118-A433 HydrophobicContact CG2-CB 4.49Å; G122-A433 WeakPolarHBondContact CA-O 3.4Å; V429-A433 HydrophobicContact CG1-CB 3.94Å; G431-A433 VanDerWaalsContact C-N 3.25Å; G431-A433 PolarHBondContact O-N 3.08Å; A433-L435 PolarHBondContact O-N 2.91Å; A433-L435 VanDerWaalsContact O-N 3.16Å; A433-G436 PolarHBondContact O-N 3.28Å; A433-V437 PolarHBondContact O-N 2.86Å
434Q93.1Very high92.3Very high62 Ų6252.4 Ų52.429%0.2927%0.265SS..Hα-helixtrans-54.6-30.8172.3-66.3-176.5-5.400113.4K426 V429 G431 R432 V437 Q438K426-Q434 HydrophobicContact CG-CB 4.06Å; K426-Q434 HydrophobicContact CG-CG 4.48Å; K426-Q434 WeakPolarHBondContact O-CG 3.47Å; V429-Q434 HydrophobicContact CB-CG 4.18Å; V429-Q434 WeakPolarHBondContact O-CG 3.42Å; V429-Q434 PolarHBondContact O-NE2 3.4Å; G431-Q434 VanDerWaalsContact O-CG 3.3Å; G431-Q434 WeakPolarHBondContact O-CG 3.22Å; G431-Q434 PolarHBondContact O-N 3.35Å; R432-Q434 PolarHBondContact O-N 3.21Å; Q434-V437 PolarHBondContact O-N 3.23Å; Q434-Q438 PolarHBondContact O-N 3.42Å; Q434-Q438 VanDerWaalsContact O-N 3.07Å
435L92.9Very high92.4Very high51 Ų5146 Ų4627%0.26724%0.237SC..Hα-helixtrans-72.6-34.1178.5-61176.2000111.5Y109 L114 R432 A433 V437 Q438 A439Y109-L435 HydrophobicContact CD1-CB 4.29Å; Y109-L435 HydrophobicContact CD1-CD1 4.43Å; Y109-L435 HydrophobicContact CD2-CB 4.44Å; Y109-L435 HydrophobicContact CE1-CB 4.26Å; Y109-L435 HydrophobicContact CE1-CD2 4.02Å; Y109-L435 HydrophobicContact CE2-CB 4.37Å; Y109-L435 VanDerWaalsContact CE2-O 3.23Å; Y109-L435 WeakPolarHBondContact CE2-O 3.43Å; Y109-L435 HydrophobicContact CG-CB 4.39Å; L114-L435 HydrophobicContact CD1-CD1 3.32Å; L114-L435 HydrophobicContact CD2-CD1 3.99Å; L114-L435 HydrophobicContact CG-CD1 4.28Å; R432-L435 PolarHBondContact O-N 2.82Å; A433-L435 PolarHBondContact O-N 2.91Å; A433-L435 VanDerWaalsContact O-N 3.16Å; L435-V437 VanDerWaalsContact C-N 3.35Å; L435-Q438 PolarHBondContact O-N 2.95Å; L435-A439 PolarHBondContact O-N 3.28Å
436G93.8Very high92.7Very high1 Ų144 Ų441%0.0123%0.228CC..Hα-helixtrans-64.4-39.9171.400000112F123 A433 Q438 A439 F440F123-G436 VanDerWaalsContact CD1-O 3.31Å; F123-G436 WeakPolarHBondContact CD1-O 3.31Å; F123-G436 WeakPolarHBondContact CE1-O 3.35Å; A433-G436 PolarHBondContact O-N 3.28Å; G436-Q438 VanDerWaalsContact C-N 3.34Å; G436-Q438 PolarHBondContact O-N 3.24Å; G436-A439 PolarHBondContact O-N 2.74Å; G436-F440 PolarHBondContact O-N 2.76Å
437V95.4Very high92.9Very high1 Ų141.7 Ų41.71%0.00622%0.219CC..Hα-helixtrans-63.4-41.2175.1-179.30000111.5G122 A126 L422 V429 A433 Q434 L435 F440 A441G122-V437 WeakPolarHBondContact O-CG2 3.5Å; A126-V437 HydrophobicContact CB-CB 4.47Å; A126-V437 HydrophobicContact CB-CG1 4.26Å; A126-V437 HydrophobicContact CB-CG2 4.32Å; L422-V437 HydrophobicContact CB-CG1 4.32Å; L422-V437 HydrophobicContact CD2-CG1 4.36Å; V429-V437 HydrophobicContact CB-CG2 4.43Å; V429-V437 HydrophobicContact CG1-CG2 4.31Å; V429-V437 HydrophobicContact CG2-CG2 4.04Å; A433-V437 PolarHBondContact O-N 2.86Å; Q434-V437 PolarHBondContact O-N 3.23Å; L435-V437 VanDerWaalsContact C-N 3.35Å; V437-F440 PolarHBondContact O-N 3.48Å; V437-A441 PolarHBondContact O-N 3.23Å
438Q94.6Very high93.2Very high30 Ų3037.5 Ų37.514%0.1419%0.191CC..Hα-helixtrans-61.4-50.1175.1-175.765.84900111.5Y109 Q434 L435 G436 F440 A441 D442Y109-Q438 WeakPolarHBondContact OH-CG 3.45Å; Q434-Q438 PolarHBondContact O-N 3.42Å; Q434-Q438 VanDerWaalsContact O-N 3.07Å; L435-Q438 PolarHBondContact O-N 2.95Å; G436-Q438 VanDerWaalsContact C-N 3.34Å; G436-Q438 PolarHBondContact O-N 3.24Å; Q438-F440 PolarHBondContact O-N 3.42Å; Q438-A441 PolarHBondContact O-N 2.74Å; Q438-A441 VanDerWaalsContact O-N 3.16Å; Q438-D442 WeakPolarHBondContact CG-OD2 3.38Å; Q438-D442 PolarHBondContact NE2-OD1 3.14Å; Q438-D442 PolarHBondContact NE2-OD2 2.69Å; Q438-D442 PolarHBondContact O-N 3.11Å
439A95.7Very high93.5Very high0 Ų035 Ų350%018%0.175CC..Hα-helixtrans-55.3-40175.700000112.1Q105 Y109 F123 L435 G436 A443Q105-A439 HydrophobicContact CB-CB 3.75Å; Y109-A439 HydrophobicContact CD2-CB 3.95Å; Y109-A439 HydrophobicContact CE2-CB 3.7Å; F123-A439 HydrophobicContact CE1-CB 3.84Å; F123-A439 HydrophobicContact CZ-CB 4.37Å; L435-A439 PolarHBondContact O-N 3.28Å; G436-A439 PolarHBondContact O-N 2.74Å; A439-A443 VanDerWaalsContact O-CB 3.26Å; A439-A443 WeakPolarHBondContact O-CB 3.45Å; A439-A443 PolarHBondContact O-N 3.02Å
440F96.1Very high93.8Very high1 Ų134.2 Ų34.20%0.00417%0.17CC..Hα-helixtrans-66.1-45.8178.2-163.6-82.7000112L102 F123 A126 A130 L422 G436 V437 Q438 D442 A443 L444 L505 T509L102-F440 HydrophobicContact CD1-CD2 4.41Å; L102-F440 HydrophobicContact CD1-CE2 4.11Å; L102-F440 HydrophobicContact CD2-CB 4.24Å; L102-F440 HydrophobicContact CD2-CD2 3.39Å; L102-F440 HydrophobicContact CD2-CE2 3.9Å; L102-F440 HydrophobicContact CD2-CG 3.95Å; F123-F440 HydrophobicContact CB-CD2 4.34Å; F123-F440 HydrophobicContact CD1-CB 3.96Å; F123-F440 AromaticContact CD1-CD2 3.89Å; F123-F440 HydrophobicContact CD1-CD2 3.89Å; F123-F440 HydrophobicContact CD1-CG 4.44Å; F123-F440 HydrophobicContact CE1-CB 4.14Å; F123-F440 HydrophobicContact CE1-CD2 4.4Å; F123-F440 HydrophobicContact CG-CD2 4.18Å; A126-F440 HydrophobicContact CB-CB 3.71Å; A126-F440 HydrophobicContact CB-CD1 3.79Å; A126-F440 HydrophobicContact CB-CD2 4.2Å; A126-F440 HydrophobicContact CB-CE1 4.45Å; A126-F440 HydrophobicContact CB-CG 3.63Å; A130-F440 HydrophobicContact CB-CE1 4.4Å; L422-F440 HydrophobicContact CD1-CD1 3.6Å; L422-F440 HydrophobicContact CD1-CE1 4.2Å; G436-F440 PolarHBondContact O-N 2.76Å; V437-F440 PolarHBondContact O-N 3.48Å; Q438-F440 PolarHBondContact O-N 3.42Å; F440-D442 VanDerWaalsContact C-N 3.34Å; F440-D442 PolarHBondContact O-N 3.43Å; F440-A443 PolarHBondContact O-N 3.43Å; F440-L444 HydrophobicContact CD1-CD1 4.05Å; F440-L444 HydrophobicContact CD1-CG 4.25Å; F440-L444 HydrophobicContact CE1-CD1 3.85Å; F440-L444 HydrophobicContact CE1-CD2 4.2Å; F440-L444 HydrophobicContact CE1-CG 4.08Å; F440-L444 PolarHBondContact O-N 3.29Å; F440-L505 HydrophobicContact CE1-CD2 4.43Å; F440-L505 HydrophobicContact CZ-CD2 4.34Å; F440-T509 HydrophobicContact CE2-CG2 4.2Å; F440-T509 VanDerWaalsContact CE2-OG1 3.3Å; F440-T509 WeakPolarHBondContact CE2-OG1 3.49Å
441A96Very high94.4Very high0 Ų025.7 Ų25.70%013%0.134CC..Hα-helixtrans-60.1-44.2177.700000111.8L422 V423 V437 Q438 A443 L444L422-A441 HydrophobicContact CB-CB 3.83Å; L422-A441 HydrophobicContact CD1-CB 4.16Å; V423-A441 HydrophobicContact CG2-CB 4.19Å; V437-A441 PolarHBondContact O-N 3.23Å; Q438-A441 PolarHBondContact O-N 2.74Å; Q438-A441 VanDerWaalsContact O-N 3.16Å; A441-A443 VanDerWaalsContact C-N 3.34Å; A441-A443 PolarHBondContact O-N 3.24Å; A441-L444 PolarHBondContact O-N 2.85Å
442D95.4Very high94.8Very high46 Ų4623 Ų2325%0.24611%0.106CC..Hα-helixtrans-70.3-31.2-179.6-66.3-36.5000112.6Q105 Q438 F440Q105-D442 HydrophobicContact CG-CB 4.42Å; Q438-D442 WeakPolarHBondContact CG-OD2 3.38Å; Q438-D442 PolarHBondContact NE2-OD1 3.14Å; Q438-D442 PolarHBondContact NE2-OD2 2.69Å; Q438-D442 PolarHBondContact O-N 3.11Å; F440-D442 VanDerWaalsContact C-N 3.34Å; F440-D442 PolarHBondContact O-N 3.43Å
443A96.3Very high95.1Very high0 Ų019 Ų190%010%0.095CC..Hα-helixtrans-69.4-36.5177.500000113.1E101 L102 Q105 A439 F440 A441 L445 V446E101-A443 HydrophobicContact CB-CB 4.24Å; E101-A443 HydrophobicContact CG-CB 4.12Å; L102-A443 HydrophobicContact CB-CB 4.39Å; L102-A443 HydrophobicContact CD2-CB 3.56Å; L102-A443 HydrophobicContact CG-CB 3.82Å; Q105-A443 HydrophobicContact CG-CB 4.06Å; A439-A443 VanDerWaalsContact O-CB 3.26Å; A439-A443 WeakPolarHBondContact O-CB 3.45Å; A439-A443 PolarHBondContact O-N 3.02Å; F440-A443 PolarHBondContact O-N 3.43Å; A441-A443 VanDerWaalsContact C-N 3.34Å; A441-A443 PolarHBondContact O-N 3.24Å; A443-L445 PolarHBondContact O-N 2.88Å; A443-V446 VanDerWaalsContact O-CB 3.29Å; A443-V446 WeakPolarHBondContact O-CB 3.14Å; A443-V446 WeakPolarHBondContact O-CG1 3.39Å; A443-V446 PolarHBondContact O-N 3.24Å; A443-V446 VanDerWaalsContact O-N 3.08Å
444L95.5Very high95.2Very high1 Ų120.2 Ų20.21%0.00510%0.099CC..Hα-helixtrans-61.4-30.9178.5-71.3175.9000112.7I98 E415 V418 L422 F440 A441 V446 I447 L505I98-L444 HydrophobicContact CD1-CD2 4.23Å; E415-L444 HydrophobicContact CB-CB 4.45Å; V418-L444 HydrophobicContact CB-CD1 3.95Å; V418-L444 HydrophobicContact CG1-CD1 3.36Å; L422-L444 HydrophobicContact CD1-CD1 4.08Å; F440-L444 HydrophobicContact CD1-CD1 4.05Å; F440-L444 HydrophobicContact CD1-CG 4.25Å; F440-L444 HydrophobicContact CE1-CD1 3.85Å; F440-L444 HydrophobicContact CE1-CD2 4.2Å; F440-L444 HydrophobicContact CE1-CG 4.08Å; F440-L444 PolarHBondContact O-N 3.29Å; A441-L444 PolarHBondContact O-N 2.85Å; L444-V446 PolarHBondContact O-N 3.11Å; L444-I447 PolarHBondContact O-N 3.24Å; L444-L505 HydrophobicContact CD2-CD2 3.82Å
445L96.2Very high95.3Very high7 Ų718.4 Ų18.44%0.0379%0.093CC..THydrogen-bonded Turntrans-67-2.8177.8-57.9178.5000113.3V416 A419 A443 I447 P448 K449 L463 Q467V416-L445 HydrophobicContact CG2-CD2 4.19Å; A419-L445 HydrophobicContact CB-CD1 4.43Å; A419-L445 HydrophobicContact CB-CD2 3.64Å; A419-L445 HydrophobicContact CB-CG 4Å; A443-L445 PolarHBondContact O-N 2.88Å; L445-I447 VanDerWaalsContact C-N 3.28Å; L445-I447 PolarHBondContact O-N 3.11Å; L445-P448 WeakPolarHBondContact O-CD 3.44Å; L445-P448 WeakPolarHBondContact O-CG 3.47Å; L445-K449 WeakPolarHBondContact O-CB 3.45Å; L445-K449 WeakPolarHBondContact O-CD 3.45Å; L445-K449 WeakPolarHBondContact O-CG 3.17Å; L445-K449 PolarHBondContact O-N 3.15Å; L445-L463 HydrophobicContact CB-CD1 4.36Å; L445-L463 HydrophobicContact CB-CD2 4.49Å; L445-L463 HydrophobicContact CD1-CD1 4.43Å; L445-L463 HydrophobicContact CD1-CD2 4.28Å; L445-L463 HydrophobicContact CD2-CD1 4.1Å; L445-Q467 VanDerWaalsContact CD1-NE2 3.34Å
446V96.3Very high95.3Very high5 Ų519.3 Ų19.33%0.0312%0.115CC..Hα-helixtrans-60-37.2173.573.80000112.2L97 I98 E101 A443 L444 K449 V450L97-V446 HydrophobicContact CB-CG1 4.39Å; I98-V446 HydrophobicContact CG1-CG1 3.85Å; E101-V446 HydrophobicContact CB-CB 3.95Å; E101-V446 HydrophobicContact CB-CG1 4.21Å; E101-V446 HydrophobicContact CB-CG2 4.03Å; E101-V446 HydrophobicContact CG-CB 3.96Å; E101-V446 HydrophobicContact CG-CG2 4.17Å; A443-V446 VanDerWaalsContact O-CB 3.29Å; A443-V446 WeakPolarHBondContact O-CB 3.14Å; A443-V446 WeakPolarHBondContact O-CG1 3.39Å; A443-V446 PolarHBondContact O-N 3.24Å; A443-V446 VanDerWaalsContact O-N 3.08Å; L444-V446 PolarHBondContact O-N 3.11Å; V446-K449 PolarHBondContact O-N 3.19Å; V446-V450 HydrophobicContact CG2-CG2 3.89Å; V446-V450 WeakPolarHBondContact O-CB 3.19Å; V446-V450 WeakPolarHBondContact O-CG2 3.29Å; V446-V450 PolarHBondContact O-N 3Å
447I95.9Very high95.4Very high7 Ų723 Ų234%0.03613%0.129CC..Hα-helixtrans-62.6-58.8-177.8-67.4-178.2000111.2L38 I98 E415 L444 L445 K449 V450 L451L38-I447 HydrophobicContact CD2-CG2 4.36Å; I98-I447 HydrophobicContact CD1-CD1 3.56Å; I98-I447 HydrophobicContact CD1-CG1 4.2Å; I98-I447 HydrophobicContact CG1-CD1 4.23Å; I98-I447 HydrophobicContact CG1-CG1 4.35Å; E415-I447 HydrophobicContact CG-CB 4.12Å; E415-I447 HydrophobicContact CG-CD1 3.9Å; E415-I447 HydrophobicContact CG-CG1 4.39Å; E415-I447 WeakPolarHBondContact OE1-CD1 3.31Å; L444-I447 PolarHBondContact O-N 3.24Å; L445-I447 VanDerWaalsContact C-N 3.28Å; L445-I447 PolarHBondContact O-N 3.11Å; I447-K449 VanDerWaalsContact C-N 3.31Å; I447-K449 PolarHBondContact O-N 3.44Å; I447-V450 PolarHBondContact O-N 2.86Å; I447-L451 HydrophobicContact CG2-CD1 3.94Å; I447-L451 HydrophobicContact CG2-CG 4.46Å; I447-L451 WeakPolarHBondContact O-CB 3.11Å; I447-L451 VanDerWaalsContact O-CG 3.32Å; I447-L451 WeakPolarHBondContact O-CG 3.41Å; I447-L451 PolarHBondContact O-N 3.3Å
448P95.8Very high95.4Very high1 Ų126.8 Ų26.81%0.00615%0.149CC..Hα-helixtrans-61.5-37.5178.521.4-32.1000112.6V416 L445 V450 L451 A452 L463 L466 V479V416-P448 HydrophobicContact CG2-CG 4.2Å; L445-P448 WeakPolarHBondContact O-CD 3.44Å; L445-P448 WeakPolarHBondContact O-CG 3.47Å; P448-V450 PolarHBondContact O-N 2.7Å; P448-L451 PolarHBondContact O-N 3.3Å; P448-A452 WeakPolarHBondContact O-CB 3.32Å; P448-A452 PolarHBondContact O-N 3.07Å; P448-L463 HydrophobicContact CG-CD1 4.27Å; P448-L466 HydrophobicContact CB-CD1 4.1Å; P448-V479 HydrophobicContact CB-CG2 4.1Å
449K95.4Very high95.3Very high66 Ų6626.9 Ų26.929%0.28715%0.152SC..Hα-helixtrans-59.2-47.2175.3-74171.3-174.11720112L445 V446 I447 Q453 P459 L463L445-K449 WeakPolarHBondContact O-CB 3.45Å; L445-K449 WeakPolarHBondContact O-CD 3.45Å; L445-K449 WeakPolarHBondContact O-CG 3.17Å; L445-K449 PolarHBondContact O-N 3.15Å; V446-K449 PolarHBondContact O-N 3.19Å; I447-K449 VanDerWaalsContact C-N 3.31Å; I447-K449 PolarHBondContact O-N 3.44Å; K449-Q453 WeakPolarHBondContact O-CB 3.28Å; K449-Q453 PolarHBondContact O-N 3.06Å; K449-P459 HydrophobicContact CB-CB 4.18Å; K449-P459 HydrophobicContact CG-CB 4.44Å; K449-P459 WeakPolarHBondContact O-CB 3.31Å; K449-L463 HydrophobicContact CD-CD2 4.24Å; K449-L463 HydrophobicContact CG-CD2 4Å
450V96.1Very high95.2Very high2 Ų234.2 Ų34.21%0.01219%0.187CC..Hα-helixtrans-69.2-39-179.2171.90000111K35 L38 L97 V446 I447 P448 Q453 N454K35-V450 HydrophobicContact CD-CG2 3.97Å; K35-V450 HydrophobicContact CG-CB 4.34Å; K35-V450 HydrophobicContact CG-CG1 3.59Å; K35-V450 HydrophobicContact CG-CG2 3.79Å; K35-V450 WeakPolarHBondContact O-CG1 3.48Å; L38-V450 HydrophobicContact CB-CG1 3.89Å; L38-V450 HydrophobicContact CD2-CB 3.91Å; L38-V450 HydrophobicContact CD2-CG1 3.7Å; L38-V450 HydrophobicContact CG-CG1 4.41Å; L97-V450 HydrophobicContact CD1-CG1 4.38Å; V446-V450 HydrophobicContact CG2-CG2 3.89Å; V446-V450 WeakPolarHBondContact O-CB 3.19Å; V446-V450 WeakPolarHBondContact O-CG2 3.29Å; V446-V450 PolarHBondContact O-N 3Å; I447-V450 PolarHBondContact O-N 2.86Å; P448-V450 PolarHBondContact O-N 2.7Å; V450-Q453 PolarHBondContact O-N 3.4Å; V450-N454 WeakPolarHBondContact O-CB 3.45Å; V450-N454 VanDerWaalsContact O-CG 3.27Å; V450-N454 PolarHBondContact O-N 3.11Å
451L95.1Very high95.1Very high15 Ų1539.3 Ų39.38%0.07921%0.211CC..Hα-helixtrans-60.9-45.6176-74.2175.4000112.2L38 I447 P448 S455 L481L38-L451 HydrophobicContact CD2-CD2 4.15Å; L38-L451 HydrophobicContact CD2-CG 4.1Å; L38-L451 HydrophobicContact CG-CD2 4.05Å; I447-L451 HydrophobicContact CG2-CD1 3.94Å; I447-L451 HydrophobicContact CG2-CG 4.46Å; I447-L451 WeakPolarHBondContact O-CB 3.11Å; I447-L451 VanDerWaalsContact O-CG 3.32Å; I447-L451 WeakPolarHBondContact O-CG 3.41Å; I447-L451 PolarHBondContact O-N 3.3Å; P448-L451 PolarHBondContact O-N 3.3Å; L451-S455 WeakPolarHBondContact O-CB 3.22Å; L451-S455 PolarHBondContact O-N 2.97Å; L451-S455 PolarHBondContact O-OG 2.91Å; L451-L481 HydrophobicContact CB-CD2 3.92Å; L451-L481 HydrophobicContact CD2-CD2 4.44Å
452A95.4Very high95Very high0 Ų039.7 Ų39.70%021%0.213CC..Hα-helixtrans-62.7-45.917500000111.5P448 N454 S455 G456 Y457 T462 V479P448-A452 WeakPolarHBondContact O-CB 3.32Å; P448-A452 PolarHBondContact O-N 3.07Å; A452-N454 PolarHBondContact O-N 3.36Å; A452-S455 CarbonylContact O-C 3.53Å; A452-S455 PolarHBondContact O-N 3.39Å; A452-S455 VanDerWaalsContact O-N 3.09Å; A452-G456 PolarHBondContact O-N 2.93Å; A452-Y457 PolarHBondContact O-N 2.99Å; A452-Y457 VanDerWaalsContact O-N 3.09Å; A452-T462 HydrophobicContact CB-CG2 4.23Å; A452-T462 VanDerWaalsContact CB-OG1 3.28Å; A452-T462 WeakPolarHBondContact CB-OG1 3.47Å; A452-V479 HydrophobicContact CB-CG1 4.5Å
453Q94.8Very high95Very high90 Ų9038.3 Ų38.342%0.42121%0.205SC..Hα-helixtrans-62.7-43179.3-177.3171.92.300112.8K449 V450 S455 G456K449-Q453 WeakPolarHBondContact O-CB 3.28Å; K449-Q453 PolarHBondContact O-N 3.06Å; V450-Q453 PolarHBondContact O-N 3.4Å; Q453-S455 PolarHBondContact O-N 3.02Å; Q453-G456 PolarHBondContact O-N 3.26Å; Q453-G456 VanDerWaalsContact O-N 3.08Å
454N94.6Very high94.9Very high39 Ų3943.6 Ų43.621%0.20923%0.233CC..Hα-helixtrans-67.4-21.3177.1-72.4-10.1000112.1K35 L38 V450 A452 G456K35-N454 PolarHBondContact O-ND2 2.86Å; L38-N454 PolarHBondContact O-ND2 3.46Å; V450-N454 WeakPolarHBondContact O-CB 3.45Å; V450-N454 VanDerWaalsContact O-CG 3.27Å; V450-N454 PolarHBondContact O-N 3.11Å; A452-N454 PolarHBondContact O-N 3.36Å; N454-G456 VanDerWaalsContact C-N 3.34Å
455S93.3Very high94.8Very high24 Ų2446.2 Ų46.217%0.16824%0.244CC..THydrogen-bonded Turntrans-88-3.5175.1-52.50000112.9L451 A452 Q453 L481L451-S455 WeakPolarHBondContact O-CB 3.22Å; L451-S455 PolarHBondContact O-N 2.97Å; L451-S455 PolarHBondContact O-OG 2.91Å; A452-S455 CarbonylContact O-C 3.53Å; A452-S455 PolarHBondContact O-N 3.39Å; A452-S455 VanDerWaalsContact O-N 3.09Å; Q453-S455 PolarHBondContact O-N 3.02Å; S455-L481 WeakPolarHBondContact OG-CD2 2.96Å
456G93.7Very high94.6Very high69 Ų6946 Ų4671%0.71124%0.243SC*.THydrogen-bonded Turntrans87.37.4177.500000115.1A452 Q453 N454A452-G456 PolarHBondContact O-N 2.93Å; Q453-G456 PolarHBondContact O-N 3.26Å; Q453-G456 VanDerWaalsContact O-N 3.08Å; N454-G456 VanDerWaalsContact C-N 3.34Å
457Y95Very high94.4Very high78 Ų7848.8 Ų48.831%0.30626%0.256SS..SBendtrans-91.9161176.7-58.2-71.5000111.8A452 P459 S482 T483A452-Y457 PolarHBondContact O-N 2.99Å; A452-Y457 VanDerWaalsContact O-N 3.09Å; Y457-P459 VanDerWaalsContact O-CD 3.3Å; Y457-P459 WeakPolarHBondContact O-CD 3.36Å; Y457-S482 PolarHBondContact OH-O 2.96Å; Y457-T483 VanDerWaalsContact CE1-O 3.3Å; Y457-T483 WeakPolarHBondContact CE1-O 3.37Å; Y457-T483 WeakPolarHBondContact OH-CA 3.21Å; Y457-T483 PolarHBondContact OH-N 2.74Å
458D95.4Very high94.3Very high81 Ų8151.3 Ų51.343%0.43327%0.272SS..  trans-69.8117.917417943.4000110.7Q460 E461 T462D458-Q460 PolarHBondContact O-N 2.62Å; D458-E461 HydrophobicContact CB-CB 4.24Å; D458-E461 WeakPolarHBondContact OD2-CB 3.48Å; D458-E461 PolarHBondContact OD2-N 2.8Å; D458-T462 WeakPolarHBondContact O-CB 3.45Å; D458-T462 VanDerWaalsContact O-CG2 3.3Å; D458-T462 WeakPolarHBondContact O-CG2 3.34Å; D458-T462 PolarHBondContact O-N 2.87Å; D458-T462 PolarHBondContact O-OG1 2.92Å
459P93.8Very high94.2Very high32 Ų3255.3 Ų55.321%0.20829%0.29CS..Hα-helixtrans-66.4-21.2-177.326.4-37.1000114K449 Y457 T462 L463K449-P459 HydrophobicContact CB-CB 4.18Å; K449-P459 HydrophobicContact CG-CB 4.44Å; K449-P459 WeakPolarHBondContact O-CB 3.31Å; Y457-P459 VanDerWaalsContact O-CD 3.3Å; Y457-P459 WeakPolarHBondContact O-CD 3.36Å; P459-T462 WeakPolarHBondContact CA-OG1 3.46Å; P459-T462 PolarHBondContact O-OG1 3.14Å; P459-L463 WeakPolarHBondContact O-CB 3.49Å; P459-L463 PolarHBondContact O-N 2.98Å
460Q93.9Very high94Very high154 Ų15453.9 Ų53.972%0.7228%0.283SS*.Hα-helixtrans-81.9-49.5179.7-64.7-167.5-500111.6D458 L463 L464D458-Q460 PolarHBondContact O-N 2.62Å; Q460-L463 PolarHBondContact O-N 3.49Å; Q460-L464 WeakPolarHBondContact O-CB 3.13Å; Q460-L464 PolarHBondContact O-N 2.85Å
461E94.4Very high93.7Very high109 Ų10960.4 Ų60.451%0.50931%0.312SS..Hα-helixtrans-58.8-49.6177.6-171.7-172.9158.600111.5D458 L463 L464 K465D458-E461 HydrophobicContact CB-CB 4.24Å; D458-E461 WeakPolarHBondContact OD2-CB 3.48Å; D458-E461 PolarHBondContact OD2-N 2.8Å; E461-L463 PolarHBondContact O-N 2.8Å; E461-L464 PolarHBondContact O-N 2.81Å; E461-K465 WeakPolarHBondContact O-CG 3.45Å; E461-K465 PolarHBondContact O-N 3.2Å; E461-K465 WeakPolarHBondContact OE1-CE 3.3Å; E461-K465 IonicContact OE1-NZ 3.63Å; E461-K465 PolarHBondContact OE1-NZ 3.21Å
462T93.9Very high93.5Very high8 Ų866.8 Ų66.85%0.04934%0.341CS..Hα-helixtrans-59.8-44.4179.951.10000112A452 D458 P459 L464 K465 L466 G484A452-T462 HydrophobicContact CB-CG2 4.23Å; A452-T462 VanDerWaalsContact CB-OG1 3.28Å; A452-T462 WeakPolarHBondContact CB-OG1 3.47Å; D458-T462 WeakPolarHBondContact O-CB 3.45Å; D458-T462 VanDerWaalsContact O-CG2 3.3Å; D458-T462 WeakPolarHBondContact O-CG2 3.34Å; D458-T462 PolarHBondContact O-N 2.87Å; D458-T462 PolarHBondContact O-OG1 2.92Å; P459-T462 WeakPolarHBondContact CA-OG1 3.46Å; P459-T462 PolarHBondContact O-OG1 3.14Å; T462-L464 VanDerWaalsContact C-N 3.34Å; T462-L464 PolarHBondContact O-N 3.01Å; T462-K465 PolarHBondContact O-N 3.22Å; T462-L466 VanDerWaalsContact O-CG 3.31Å; T462-L466 WeakPolarHBondContact O-CG 3.47Å; T462-L466 PolarHBondContact O-N 3.46Å; T462-G484 VanDerWaalsContact CG2-O 3.28Å; T462-G484 WeakPolarHBondContact CG2-O 2.81Å
463L94.1Very high93.1Very high17 Ų1769 Ų699%0.08936%0.357CS..Hα-helixtrans-63-40.1177.2-179.168.4000112.5L445 P448 K449 P459 Q460 E461 L466 Q467L445-L463 HydrophobicContact CB-CD1 4.36Å; L445-L463 HydrophobicContact CB-CD2 4.49Å; L445-L463 HydrophobicContact CD1-CD1 4.43Å; L445-L463 HydrophobicContact CD1-CD2 4.28Å; L445-L463 HydrophobicContact CD2-CD1 4.1Å; P448-L463 HydrophobicContact CG-CD1 4.27Å; K449-L463 HydrophobicContact CD-CD2 4.24Å; K449-L463 HydrophobicContact CG-CD2 4Å; P459-L463 WeakPolarHBondContact O-CB 3.49Å; P459-L463 PolarHBondContact O-N 2.98Å; Q460-L463 PolarHBondContact O-N 3.49Å; E461-L463 PolarHBondContact O-N 2.8Å; L463-L466 PolarHBondContact O-N 2.91Å; L463-Q467 HydrophobicContact CD1-CG 4.43Å; L463-Q467 WeakPolarHBondContact O-CB 3.5Å; L463-Q467 WeakPolarHBondContact O-CG 3.35Å; L463-Q467 PolarHBondContact O-N 3.41Å
464L94.4Very high92.5Very high111 Ų11167.4 Ų67.458%0.58136%0.364SS*.Hα-helixtrans-65.2-41.7178.8-173144.1000111.1Q460 E461 T462 Q467 T468Q460-L464 WeakPolarHBondContact O-CB 3.13Å; Q460-L464 PolarHBondContact O-N 2.85Å; E461-L464 PolarHBondContact O-N 2.81Å; T462-L464 VanDerWaalsContact C-N 3.34Å; T462-L464 PolarHBondContact O-N 3.01Å; L464-Q467 PolarHBondContact O-N 3.39Å; L464-T468 WeakPolarHBondContact O-CB 3.42Å; L464-T468 PolarHBondContact O-N 3.47Å; L464-T468 PolarHBondContact O-OG1 3.24Å
465K93.6Very high92.1Very high56 Ų5670.4 Ų70.424%0.24338%0.377CS..Hα-helixtrans-59.4-49.2173.2-69177.3179.3171.60111.3E461 T462 Q467 T468 E469 E485 P486E461-K465 WeakPolarHBondContact O-CG 3.45Å; E461-K465 PolarHBondContact O-N 3.2Å; E461-K465 WeakPolarHBondContact OE1-CE 3.3Å; E461-K465 IonicContact OE1-NZ 3.63Å; E461-K465 PolarHBondContact OE1-NZ 3.21Å; T462-K465 PolarHBondContact O-N 3.22Å; K465-Q467 PolarHBondContact O-N 3.29Å; K465-T468 PolarHBondContact O-N 3.36Å; K465-E469 WeakPolarHBondContact O-CB 3.49Å; K465-E469 PolarHBondContact O-N 2.96Å; K465-E485 WeakPolarHBondContact CD-OE2 3.19Å; K465-E485 IonicContact NZ-OE1 3.29Å; K465-E485 PolarHBondContact NZ-OE1 2.85Å; K465-E485 IonicContact NZ-OE2 3.28Å; K465-P486 HydrophobicContact CB-CG 3.71Å
466L92.6Very high92Very high3 Ų370.8 Ų70.82%0.01638%0.377CS..Hα-helixtrans-57.3-46.8177.2-69.3170.4000112.8V416 P448 T462 L463 T468 Y470 V477 G478 V479 P486V416-L466 HydrophobicContact CG2-CD1 4.49Å; P448-L466 HydrophobicContact CB-CD1 4.1Å; T462-L466 VanDerWaalsContact O-CG 3.31Å; T462-L466 WeakPolarHBondContact O-CG 3.47Å; T462-L466 PolarHBondContact O-N 3.46Å; L463-L466 PolarHBondContact O-N 2.91Å; L466-T468 VanDerWaalsContact C-N 3.3Å; L466-T468 PolarHBondContact O-N 2.76Å; L466-Y470 WeakPolarHBondContact O-CB 3.49Å; L466-Y470 PolarHBondContact O-N 3.46Å; L466-V477 HydrophobicContact CD2-CG1 4.09Å; L466-G478 VanDerWaalsContact CD2-C 3.45Å; L466-G478 VanDerWaalsContact CD2-O 3.27Å; L466-G478 WeakPolarHBondContact CD2-O 3.24Å; L466-V479 HydrophobicContact CD1-CG2 3.31Å; L466-V479 HydrophobicContact CD2-CG2 4.26Å; L466-V479 HydrophobicContact CG-CG2 4.25Å; L466-P486 HydrophobicContact CD2-CB 3.96Å; L466-P486 HydrophobicContact CD2-CG 4.37Å
467Q92.2Very high91.9Very high62 Ų6267.6 Ų67.629%0.2934%0.344SS..Hα-helixtrans-66.9-33.8-179.2-74.9-176.6-20.500112.3V416 L445 L463 L464 K465 K471V416-Q467 HydrophobicContact CG1-CG 4.32Å; L445-Q467 VanDerWaalsContact CD1-NE2 3.34Å; L463-Q467 HydrophobicContact CD1-CG 4.43Å; L463-Q467 WeakPolarHBondContact O-CB 3.5Å; L463-Q467 WeakPolarHBondContact O-CG 3.35Å; L463-Q467 PolarHBondContact O-N 3.41Å; L464-Q467 PolarHBondContact O-N 3.39Å; K465-Q467 PolarHBondContact O-N 3.29Å; Q467-K471 WeakPolarHBondContact O-CB 3.3Å; Q467-K471 WeakPolarHBondContact O-CD 3.39Å; Q467-K471 WeakPolarHBondContact O-CG 3.45Å; Q467-K471 PolarHBondContact O-N 3.34Å
468T93.3Very high91.8Very high60 Ų6063.9 Ų63.937%0.36833%0.329SS..Hα-helixtrans-70.3-51.3177.2-53.40000109.9L464 K465 L466 Y470 K471 E472L464-T468 WeakPolarHBondContact O-CB 3.42Å; L464-T468 PolarHBondContact O-N 3.47Å; L464-T468 PolarHBondContact O-OG1 3.24Å; K465-T468 PolarHBondContact O-N 3.36Å; L466-T468 VanDerWaalsContact C-N 3.3Å; L466-T468 PolarHBondContact O-N 2.76Å; T468-Y470 VanDerWaalsContact C-N 3.33Å; T468-Y470 PolarHBondContact O-N 3.3Å; T468-K471 PolarHBondContact O-N 3.49Å; T468-K471 VanDerWaalsContact O-N 3.09Å; T468-E472 WeakPolarHBondContact O-CG 3.44Å; T468-E472 PolarHBondContact O-N 3.33Å
469E92.6Very high91.7Very high85 Ų8560.1 Ų60.140%0.39731%0.309SS..Hα-helixtrans-59.9-42.3178.6-166.968.3-159.600112K465 K471 E472 S473 V477 P486K465-E469 WeakPolarHBondContact O-CB 3.49Å; K465-E469 PolarHBondContact O-N 2.96Å; E469-K471 VanDerWaalsContact C-N 3.33Å; E469-K471 PolarHBondContact O-N 2.79Å; E469-E472 PolarHBondContact O-N 2.91Å; E469-S473 WeakPolarHBondContact O-CB 3.45Å; E469-S473 PolarHBondContact O-N 3.11Å; E469-S473 PolarHBondContact O-OG 3.34Å; E469-V477 HydrophobicContact CB-CG1 4.44Å; E469-V477 HydrophobicContact CG-CG1 4.13Å; E469-V477 HydrophobicContact CG-CG2 3.99Å; E469-P486 HydrophobicContact CB-CB 4.12Å; E469-P486 HydrophobicContact CB-CG 4.37Å; E469-P486 HydrophobicContact CG-CB 4.13Å
470Y92Very high91.7Very high36 Ų3660.4 Ų60.414%0.14131%0.309CS..Hα-helixtrans-61.9-40176.2-179.7-97.9000112V416 A417 D420 L466 T468 G474 Q475 L476V416-Y470 HydrophobicContact CG1-CD1 4.39Å; V416-Y470 HydrophobicContact CG1-CG 4.1Å; A417-Y470 WeakPolarHBondContact CA-OH 3.21Å; A417-Y470 HydrophobicContact CB-CE1 4.47Å; A417-Y470 HydrophobicContact CB-CE2 3.7Å; A417-Y470 VanDerWaalsContact CB-OH 3.3Å; A417-Y470 WeakPolarHBondContact CB-OH 3.2Å; D420-Y470 HydrophobicContact CB-CD1 4.22Å; D420-Y470 HydrophobicContact CB-CE1 3.85Å; L466-Y470 WeakPolarHBondContact O-CB 3.49Å; L466-Y470 PolarHBondContact O-N 3.46Å; T468-Y470 VanDerWaalsContact C-N 3.33Å; T468-Y470 PolarHBondContact O-N 3.3Å; Y470-G474 VanDerWaalsContact O-CA 3.27Å; Y470-G474 WeakPolarHBondContact O-CA 3.49Å; Y470-G474 PolarHBondContact O-N 3.04Å; Y470-Q475 WeakPolarHBondContact CD2-O 3.09Å; Y470-Q475 WeakPolarHBondContact CE2-O 3.35Å; Y470-L476 HydrophobicContact CE2-CD2 4.38Å
471K90.4Very high91.5Very high140 Ų14054.4 Ų54.461%0.60928%0.282SS*.Hα-helixtrans-70.2-33.5178.7-77.9173.9-176.8176.50112.8Q467 T468 E469Q467-K471 WeakPolarHBondContact O-CB 3.3Å; Q467-K471 WeakPolarHBondContact O-CD 3.39Å; Q467-K471 WeakPolarHBondContact O-CG 3.45Å; Q467-K471 PolarHBondContact O-N 3.34Å; T468-K471 PolarHBondContact O-N 3.49Å; T468-K471 VanDerWaalsContact O-N 3.09Å; E469-K471 VanDerWaalsContact C-N 3.33Å; E469-K471 PolarHBondContact O-N 2.79Å
472E90.4Very high91.4Very high149 Ų14953.1 Ų53.170%0.69629%0.285SS*.Hα-helixtrans-79.5-46.6179.9-69.9-178.6-176.400112.1T468 E469T468-E472 WeakPolarHBondContact O-CG 3.44Å; T468-E472 PolarHBondContact O-N 3.33Å; E469-E472 PolarHBondContact O-N 2.91Å
473S86.3Confident91.2Very high47 Ų4756.2 Ų56.233%0.32930%0.304SS..Hα-helixtrans-86.5-30.7-175.266.50000113.8E469 Q475E469-S473 WeakPolarHBondContact O-CB 3.45Å; E469-S473 PolarHBondContact O-N 3.11Å; E469-S473 PolarHBondContact O-OG 3.34Å; S473-Q475 PolarHBondContact O-N 3.31Å; S473-Q475 VanDerWaalsContact O-N 3.16Å; S473-Q475 PolarHBondContact OG-N 2.74Å; S473-Q475 VanDerWaalsContact OG-N 3.16Å
474G82.5Confident91Very high56 Ų5655.6 Ų55.658%0.57730%0.301SS*.  trans63.97-167.100000114.2Y470Y470-G474 VanDerWaalsContact O-CA 3.27Å; Y470-G474 WeakPolarHBondContact O-CA 3.49Å; Y470-G474 PolarHBondContact O-N 3.04Å
475Q86.8Confident90.9Very high101 Ų10154.5 Ų54.547%0.47229%0.293SS..SBendtrans-87.6159.1179-67.1-173.5-17.600111.1Y470 S473 V477Y470-Q475 WeakPolarHBondContact CD2-O 3.09Å; Y470-Q475 WeakPolarHBondContact CE2-O 3.35Å; S473-Q475 PolarHBondContact O-N 3.31Å; S473-Q475 VanDerWaalsContact O-N 3.16Å; S473-Q475 PolarHBondContact OG-N 2.74Å; S473-Q475 VanDerWaalsContact OG-N 3.16Å; Q475-V477 HydrophobicContact CB-CG2 4.41Å; Q475-V477 WeakPolarHBondContact O-CG2 3.49Å; Q475-V477 PolarHBondContact O-N 2.84Å
476L90.1Very high90.9Very high32 Ų3253.6 Ų53.617%0.16829%0.293CS..  trans-78.590.4178.7-63.6168.9000110.7V137 S409 A413 A417 Y470 A489V137-L476 HydrophobicContact CG1-CD1 3.61Å; V137-L476 HydrophobicContact CG1-CD2 3.64Å; V137-L476 HydrophobicContact CG1-CG 4.26Å; S409-L476 WeakPolarHBondContact OG-CD1 3.21Å; A413-L476 HydrophobicContact CB-CB 4.13Å; A417-L476 HydrophobicContact CB-CD2 3.88Å; Y470-L476 HydrophobicContact CE2-CD2 4.38Å; L476-A489 PolarHBondContact O-N 3.05Å
477V92.1Very high91Very high3 Ų355.5 Ų55.52%0.01830%0.302CS..EExtended strand (participates in β ladder)trans-97.6125.9-177.8-171.10000110.9A413 L466 E469 Q475 P486 M487A413-V477 VanDerWaalsContact CA-O 3.29Å; A413-V477 WeakPolarHBondContact CA-O 3.48Å; A413-V477 WeakPolarHBondContact CB-O 3.17Å; L466-V477 HydrophobicContact CD2-CG1 4.09Å; E469-V477 HydrophobicContact CB-CG1 4.44Å; E469-V477 HydrophobicContact CG-CG1 4.13Å; E469-V477 HydrophobicContact CG-CG2 3.99Å; Q475-V477 HydrophobicContact CB-CG2 4.41Å; Q475-V477 WeakPolarHBondContact O-CG2 3.49Å; Q475-V477 PolarHBondContact O-N 2.84Å; V477-P486 HydrophobicContact CG1-CB 3.39Å; V477-M487 CarbonylContact C-O 3.59Å; V477-M487 WeakPolarHBondContact CA-O 3.37Å; V477-M487 WeakPolarHBondContact CG1-O 3.37Å
478G92.6Very high91Very high0 Ų054.5 Ų54.50%030%0.3CS..EExtended strand (participates in β ladder)trans-117.9178.7176.900000112.4A411 L466 M487A411-G478 WeakPolarHBondContact O-CA 3.33Å; L466-G478 VanDerWaalsContact CD2-C 3.45Å; L466-G478 VanDerWaalsContact CD2-O 3.27Å; L466-G478 WeakPolarHBondContact CD2-O 3.24Å; G478-M487 PolarHBondContact N-O 2.93Å; G478-M487 PolarHBondContact O-N 3.44Å
479V93.6Very high90.8Very high1 Ų151.6 Ų51.61%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-82125.6-179.6-175.80000110.6A411 P448 A452 L466 L481A411-V479 PolarHBondContact O-N 3.16Å; P448-V479 HydrophobicContact CB-CG2 4.1Å; A452-V479 HydrophobicContact CB-CG1 4.5Å; L466-V479 HydrophobicContact CD1-CG2 3.31Å; L466-V479 HydrophobicContact CD2-CG2 4.26Å; L466-V479 HydrophobicContact CG-CG2 4.25Å; V479-L481 HydrophobicContact CB-CD2 4.48Å; V479-L481 HydrophobicContact CG1-CD2 4.14Å
480D93.9Very high90.4Very high38 Ų3848.5 Ų48.520%0.20327%0.273CS..  trans-77120.7160.8-179.710000110S482 T483 G484 E485 M487D480-S482 PolarHBondContact O-N 3.37Å; D480-S482 PolarHBondContact OD1-N 2.89Å; D480-T483 WeakPolarHBondContact CB-OG1 3.41Å; D480-T483 VanDerWaalsContact CG-OG1 3.28Å; D480-T483 WeakPolarHBondContact OD2-CB 3.26Å; D480-T483 VanDerWaalsContact OD2-CG2 3.32Å; D480-T483 WeakPolarHBondContact OD2-CG2 3.31Å; D480-T483 PolarHBondContact OD2-OG1 3.32Å; D480-G484 VanDerWaalsContact O-CA 3.27Å; D480-G484 WeakPolarHBondContact O-CA 3.4Å; D480-G484 PolarHBondContact O-N 3.46Å; D480-E485 PolarHBondContact N-O 3.26Å; D480-M487 HydrophobicContact CB-CB 4.22Å; D480-M487 HydrophobicContact CB-CG 3.96Å; D480-M487 HydrophobicContact CB-SD 3.66Å
481L90.4Very high90.2Very high29 Ų2954.5 Ų54.515%0.15230%0.303CS..THydrogen-bonded Turntrans-78.3-6.8-177.1-53.2175.6000113.1P40 K41 L451 S455 V479P40-L481 HydrophobicContact CG-CD1 3.17Å; K41-L481 HydrophobicContact CG-CB 4.24Å; L451-L481 HydrophobicContact CB-CD2 3.92Å; L451-L481 HydrophobicContact CD2-CD2 4.44Å; S455-L481 WeakPolarHBondContact OG-CD2 2.96Å; V479-L481 HydrophobicContact CB-CD2 4.48Å; V479-L481 HydrophobicContact CG1-CD2 4.14Å
482S90.8Very high90.1Very high82 Ų8250.5 Ų50.557%0.57330%0.295SS*.THydrogen-bonded Turntrans-99.5-25178.8-50.80000113.6Y457 D480Y457-S482 PolarHBondContact OH-O 2.96Å; D480-S482 PolarHBondContact O-N 3.37Å; D480-S482 PolarHBondContact OD1-N 2.89Å
483T91.2Very high90Very high73 Ų7343.8 Ų43.845%0.44827%0.267SS..THydrogen-bonded Turntrans-119.7-25.4-177.459.20000112.9Y457 D480 E485Y457-T483 VanDerWaalsContact CE1-O 3.3Å; Y457-T483 WeakPolarHBondContact CE1-O 3.37Å; Y457-T483 WeakPolarHBondContact OH-CA 3.21Å; Y457-T483 PolarHBondContact OH-N 2.74Å; D480-T483 WeakPolarHBondContact CB-OG1 3.41Å; D480-T483 VanDerWaalsContact CG-OG1 3.28Å; D480-T483 WeakPolarHBondContact OD2-CB 3.26Å; D480-T483 VanDerWaalsContact OD2-CG2 3.32Å; D480-T483 WeakPolarHBondContact OD2-CG2 3.31Å; D480-T483 PolarHBondContact OD2-OG1 3.32Å; T483-E485 PolarHBondContact OG1-N 3.28Å
484G89.1Confident90.3Very high4 Ų443.3 Ų43.34%0.04126%0.262CS..  trans78.54.2-171.400000113.4T462 D480T462-G484 VanDerWaalsContact CG2-O 3.28Å; T462-G484 WeakPolarHBondContact CG2-O 2.81Å; D480-G484 VanDerWaalsContact O-CA 3.27Å; D480-G484 WeakPolarHBondContact O-CA 3.4Å; D480-G484 PolarHBondContact O-N 3.46Å
485E93Very high90.9Very high88 Ų8841.3 Ų41.341%0.41124%0.236SC..SBendtrans-92.2159.1-178.3-67.1-62150.100112.1K465 D480 T483 M487K465-E485 WeakPolarHBondContact CD-OE2 3.19Å; K465-E485 IonicContact NZ-OE1 3.29Å; K465-E485 PolarHBondContact NZ-OE1 2.85Å; K465-E485 IonicContact NZ-OE2 3.28Å; D480-E485 PolarHBondContact N-O 3.26Å; T483-E485 PolarHBondContact OG1-N 3.28Å; E485-M487 PolarHBondContact O-N 3.44Å
486P93Very high91.2Very high37 Ų3738.2 Ų38.224%0.2422%0.223CC..EExtended strand (participates in β ladder)trans-63131.1173.5-18.932.1000111.6K465 L466 E469 V477K465-P486 HydrophobicContact CB-CG 3.71Å; L466-P486 HydrophobicContact CD2-CB 3.96Å; L466-P486 HydrophobicContact CD2-CG 4.37Å; E469-P486 HydrophobicContact CB-CB 4.12Å; E469-P486 HydrophobicContact CB-CG 4.37Å; E469-P486 HydrophobicContact CG-CB 4.13Å; V477-P486 HydrophobicContact CG1-CB 3.39Å
487M93.9Very high91.4Very high43 Ų4337 Ų3721%0.21222%0.217CC..EExtended strand (participates in β ladder)trans-132.8145.117570.6169.6-161.600111.9A411 V477 G478 D480 E485 A489 A492 V494A411-M487 HydrophobicContact CB-CE 3.94Å; V477-M487 CarbonylContact C-O 3.59Å; V477-M487 WeakPolarHBondContact CA-O 3.37Å; V477-M487 WeakPolarHBondContact CG1-O 3.37Å; G478-M487 PolarHBondContact N-O 2.93Å; G478-M487 PolarHBondContact O-N 3.44Å; D480-M487 HydrophobicContact CB-CB 4.22Å; D480-M487 HydrophobicContact CB-CG 3.96Å; D480-M487 HydrophobicContact CB-SD 3.66Å; E485-M487 PolarHBondContact O-N 3.44Å; M487-A489 PolarHBondContact O-N 2.91Å; M487-A489 VanDerWaalsContact O-N 3.12Å; M487-A492 HydrophobicContact CE-CB 3.82Å; M487-A492 HydrophobicContact SD-CB 3.81Å; M487-V494 HydrophobicContact CE-CG2 3.9Å
488V92.6Very high91.5Very high40 Ų4037.7 Ų37.724%0.24222%0.219CC..EExtended strand (participates in β ladder)trans-72.1107.9173.4-177.60000109G490 E491 A492V488-G490 VanDerWaalsContact C-N 3.28Å; V488-G490 PolarHBondContact O-N 2.93Å; V488-E491 HydrophobicContact CB-CB 4.41Å; V488-E491 HydrophobicContact CB-CG 4.31Å; V488-E491 HydrophobicContact CG1-CB 4.4Å; V488-E491 HydrophobicContact CG1-CG 3.97Å; V488-E491 PolarHBondContact O-N 3.23Å; V488-A492 PolarHBondContact O-N 2.6Å; V488-A492 VanDerWaalsContact O-N 3.13Å
489A88.8Confident91.6Very high0 Ų038.7 Ų38.70%023%0.227CC..THydrogen-bonded Turntrans-64.8-32.3-169.500000113.1A411 A413 L476 M487 A492 G493 V494A411-A489 HydrophobicContact CB-CB 4.35Å; A413-A489 HydrophobicContact CB-CB 4.22Å; L476-A489 PolarHBondContact O-N 3.05Å; M487-A489 PolarHBondContact O-N 2.91Å; M487-A489 VanDerWaalsContact O-N 3.12Å; A489-A492 PolarHBondContact O-N 3.32Å; A489-G493 PolarHBondContact O-N 3.09Å; A489-V494 PolarHBondContact O-N 3.37Å
490G84.5Confident91.7Very high19 Ų1939.2 Ų39.220%0.19623%0.23CC..THydrogen-bonded Turntrans-66.4-37.3177.800000113.5V488 G493 W495V488-G490 VanDerWaalsContact C-N 3.28Å; V488-G490 PolarHBondContact O-N 2.93Å; G490-G493 PolarHBondContact O-N 3.29Å; G490-W495 VanDerWaalsContact CA-CZ2 3.48Å; G490-W495 WeakPolarHBondContact O-CZ2 3.45Å
491E88.3Confident91.7Very high163 Ų16338 Ų3876%0.76222%0.223SC*.THydrogen-bonded Turntrans-75.7-35.9177.2-65.3-175.1172.900111.6V488 G493V488-E491 HydrophobicContact CB-CB 4.41Å; V488-E491 HydrophobicContact CB-CG 4.31Å; V488-E491 HydrophobicContact CG1-CB 4.4Å; V488-E491 HydrophobicContact CG1-CG 3.97Å; V488-E491 PolarHBondContact O-N 3.23Å; E491-G493 PolarHBondContact O-N 3.22Å; E491-G493 VanDerWaalsContact O-N 3.15Å
492A88.1Confident91.9Very high55 Ų5541 Ų4146%0.45523%0.234SC..THydrogen-bonded Turntrans-68.2-6.6172.900000113.4M487 V488 A489 V494M487-A492 HydrophobicContact CE-CB 3.82Å; M487-A492 HydrophobicContact SD-CB 3.81Å; V488-A492 PolarHBondContact O-N 2.6Å; V488-A492 VanDerWaalsContact O-N 3.13Å; A489-A492 PolarHBondContact O-N 3.32Å; A492-V494 VanDerWaalsContact C-N 3.3Å; A492-V494 HydrophobicContact CB-CG2 4.22Å; A492-V494 PolarHBondContact O-N 3.3Å
493G88.9Confident92.1Very high9 Ų939.9 Ų39.99%0.09322%0.22CC..THydrogen-bonded Turntrans69.824.5-178.900000113.5N150 A489 G490 E491N150-G493 WeakPolarHBondContact CB-O 3.48Å; A489-G493 PolarHBondContact O-N 3.09Å; G490-G493 PolarHBondContact O-N 3.29Å; E491-G493 PolarHBondContact O-N 3.22Å; E491-G493 VanDerWaalsContact O-N 3.15Å
494V93.3Very high92.3Very high37 Ų3736.6 Ų36.622%0.22420%0.2CC..  trans-96.3105.6178.1-175.80000109.3T154 G410 A411 M487 A489 A492T154-V494 HydrophobicContact CG2-CG1 3.85Å; G410-V494 PolarHBondContact N-O 3.49Å; A411-V494 HydrophobicContact CB-CG1 4.15Å; M487-V494 HydrophobicContact CE-CG2 3.9Å; A489-V494 PolarHBondContact O-N 3.37Å; A492-V494 VanDerWaalsContact C-N 3.3Å; A492-V494 HydrophobicContact CB-CG2 4.22Å; A492-V494 PolarHBondContact O-N 3.3Å
495W93.9Very high92.6Very high13 Ų1336.5 Ų36.55%0.04920%0.198CC..EExtended strand (participates in β ladder)trans-122.7135.2-173.1-62.3102.7000111.4V139 V151 T154 V407 G490V139-W495 HydrophobicContact CB-CZ3 4.22Å; V139-W495 HydrophobicContact CG2-CH2 4.27Å; V139-W495 HydrophobicContact CG2-CZ3 3.94Å; V151-W495 HydrophobicContact CG2-CB 3.92Å; T154-W495 WeakPolarHBondContact CG2-O 3.23Å; T154-W495 PolarHBondContact OG1-N 3.49Å; V407-W495 HydrophobicContact CB-CB 4.37Å; V407-W495 HydrophobicContact CB-CD2 4.29Å; V407-W495 HydrophobicContact CB-CE3 3.87Å; V407-W495 HydrophobicContact CG2-CD2 3.88Å; V407-W495 HydrophobicContact CG2-CE3 3.49Å; V407-W495 VanDerWaalsContact CG2-CE3 3.49Å; V407-W495 HydrophobicContact CG2-CG 4.45Å; V407-W495 HydrophobicContact CG2-CZ3 3.86Å; G490-W495 VanDerWaalsContact CA-CZ2 3.48Å; G490-W495 WeakPolarHBondContact O-CZ2 3.45Å
496D93.8Very high92.7Very high36 Ų3636.2 Ų36.219%0.19320%0.197CC..EExtended strand (participates in β ladder)trans-106.6152.2169.6-70-22.6000109.8V408 G410 K501V408-D496 PolarHBondContact N-O 3.42Å; V408-D496 PolarHBondContact O-N 3.12Å; G410-D496 WeakPolarHBondContact CA-OD2 3.44Å; D496-K501 WeakPolarHBondContact OD2-CE 3.45Å; D496-K501 IonicContact OD2-NZ 3.01Å; D496-K501 PolarHBondContact OD2-NZ 2.87Å
497N94.3Very high92.8Very high6 Ų635.3 Ų35.33%0.03219%0.191CC..EExtended strand (participates in β ladder)trans-75.1141175.6-63.398.4000111.9A397 N400 A401 V500 K501A397-N497 PolarHBondContact O-ND2 2.78Å; A397-N497 PolarHBondContact O-OD1 3.48Å; N400-N497 HydrophobicContact CB-CB 4.31Å; A401-N497 PolarHBondContact N-ND2 3.01Å; A401-N497 VanDerWaalsContact N-ND2 3.13Å; N497-V500 HydrophobicContact CB-CB 4.18Å; N497-V500 HydrophobicContact CB-CG2 3.77Å; N497-V500 PolarHBondContact O-N 3.48Å; N497-K501 PolarHBondContact O-N 3.02Å
498Y94.6Very high92.8Very high18 Ų1833.3 Ų33.37%0.07118%0.181CC..Hα-helixtrans-63.2-47.1176.3164.4-90.7000111.8L134 E135 K138 V500 K501 K502L134-Y498 HydrophobicContact CD1-CD2 4.05Å; L134-Y498 HydrophobicContact CD1-CE2 4.43Å; L134-Y498 HydrophobicContact CD2-CD2 4.03Å; L134-Y498 HydrophobicContact CD2-CE2 3.79Å; L134-Y498 HydrophobicContact CG-CD2 3.81Å; L134-Y498 HydrophobicContact CG-CE2 3.69Å; E135-Y498 PolarHBondContact OE1-OH 2.87Å; K138-Y498 HydrophobicContact CB-CD2 4.28Å; K138-Y498 HydrophobicContact CD-CD2 4.3Å; K138-Y498 HydrophobicContact CD-CE2 4.26Å; Y498-V500 VanDerWaalsContact C-N 3.31Å; Y498-V500 PolarHBondContact O-N 3.25Å; Y498-K501 PolarHBondContact O-N 3.16Å; Y498-K502 HydrophobicContact CE1-CB 4.46Å; Y498-K502 HydrophobicContact CE1-CD 3.82Å; Y498-K502 WeakPolarHBondContact O-CB 3.43Å; Y498-K502 PolarHBondContact O-N 3.43Å; Y498-K502 WeakPolarHBondContact OH-CD 3.04Å; Y498-K502 WeakPolarHBondContact OH-CE 3.39Å; Y498-K502 PolarHBondContact OH-NZ 3.39Å
499S93.7Very high93Very high22 Ų2231.4 Ų31.415%0.15417%0.17CC..Hα-helixtrans-56.5-40.9177.3460000113.2D404 Q503D404-S499 WeakPolarHBondContact OD2-CB 3.33Å; D404-S499 PolarHBondContact OD2-N 2.93Å; D404-S499 PolarHBondContact OD2-OG 2.89Å; S499-Q503 WeakPolarHBondContact O-CB 3.21Å; S499-Q503 PolarHBondContact O-N 2.93Å
500V94.9Very high93.2Very high12 Ų1233.7 Ų33.77%0.07318%0.184CC..Hα-helixtrans-59.8-53.2176175.20000110.4Q84 T88 D90 N497 Y498 K502 Q503 L504Q84-V500 PolarHBondContact NE2-O 2.92Å; T88-V500 HydrophobicContact CG2-CG2 4.36Å; D90-V500 HydrophobicContact CB-CG2 4.38Å; N497-V500 HydrophobicContact CB-CB 4.18Å; N497-V500 HydrophobicContact CB-CG2 3.77Å; N497-V500 PolarHBondContact O-N 3.48Å; Y498-V500 VanDerWaalsContact C-N 3.31Å; Y498-V500 PolarHBondContact O-N 3.25Å; V500-K502 PolarHBondContact O-N 3.29Å; V500-Q503 PolarHBondContact O-N 2.84Å; V500-L504 WeakPolarHBondContact O-CB 3.36Å; V500-L504 PolarHBondContact O-N 3.4Å
501K94.9Very high93.8Very high13 Ų1333.9 Ų33.96%0.05718%0.18CC..Hα-helixtrans-64.4-41.2-179.2-65-65-171.5-179.20112.4L134 F414 E415 D496 N497 Y498 L504 L505L134-K501 HydrophobicContact CD1-CB 4.08Å; L134-K501 HydrophobicContact CD2-CB 4.36Å; F414-K501 HydrophobicContact CD1-CD 3.86Å; F414-K501 HydrophobicContact CD1-CG 4.26Å; F414-K501 HydrophobicContact CE1-CB 4.19Å; F414-K501 HydrophobicContact CE1-CD 4.2Å; F414-K501 HydrophobicContact CE1-CG 4.4Å; E415-K501 IonicContact OE1-NZ 3.93Å; E415-K501 PolarHBondContact OE1-NZ 3.04Å; E415-K501 IonicContact OE2-NZ 2.9Å; D496-K501 WeakPolarHBondContact OD2-CE 3.45Å; D496-K501 IonicContact OD2-NZ 3.01Å; D496-K501 PolarHBondContact OD2-NZ 2.87Å; N497-K501 PolarHBondContact O-N 3.02Å; Y498-K501 PolarHBondContact O-N 3.16Å; K501-L504 PolarHBondContact O-N 2.48Å; K501-L505 WeakPolarHBondContact O-CG 3.41Å; K501-L505 PolarHBondContact O-N 3.27Å
502K95.3Very high94.1Very high91 Ų9126.1 Ų26.140%0.39614%0.144SC..Hα-helixtrans-59.4-51.8177.8-174.3-175.2-165.8155.70111.4L131 L134 Y498 V500 L504 L505 H506L131-K502 HydrophobicContact CD2-CG 3.96Å; L134-K502 HydrophobicContact CD2-CB 3.76Å; L134-K502 HydrophobicContact CD2-CG 4.38Å; Y498-K502 HydrophobicContact CE1-CB 4.46Å; Y498-K502 HydrophobicContact CE1-CD 3.82Å; Y498-K502 WeakPolarHBondContact O-CB 3.43Å; Y498-K502 PolarHBondContact O-N 3.43Å; Y498-K502 WeakPolarHBondContact OH-CD 3.04Å; Y498-K502 WeakPolarHBondContact OH-CE 3.39Å; Y498-K502 PolarHBondContact OH-NZ 3.39Å; V500-K502 PolarHBondContact O-N 3.29Å; K502-L504 VanDerWaalsContact C-N 3.35Å; K502-L505 PolarHBondContact O-N 3.31Å; K502-H506 PolarHBondContact O-N 3.28Å; K502-H506 VanDerWaalsContact O-N 3.16Å
503Q95.1Very high94.4Very high58 Ų5824.1 Ų24.127%0.27113%0.127SC..Hα-helixtrans-67.9-39.1-178.9-170.667.7-4.800111.1T88 S499 V500 L505 H506 S507T88-Q503 HydrophobicContact CG2-CB 4.31Å; S499-Q503 WeakPolarHBondContact O-CB 3.21Å; S499-Q503 PolarHBondContact O-N 2.93Å; V500-Q503 PolarHBondContact O-N 2.84Å; Q503-L505 PolarHBondContact O-N 2.82Å; Q503-H506 PolarHBondContact O-N 3.38Å; Q503-S507 VanDerWaalsContact O-CB 3.31Å; Q503-S507 WeakPolarHBondContact O-CB 3.4Å; Q503-S507 PolarHBondContact O-N 3.11Å; Q503-S507 PolarHBondContact O-OG 2.89Å
504L95.1Very high94.7Very high4 Ų428 Ų282%0.02115%0.145CC..Hα-helixtrans-56.8-51.3175.3-178.7151.6000111.5S94 I98 V500 K501 K502 H506 S507 C508S94-L504 VanDerWaalsContact CB-CD1 3.5Å; I98-L504 HydrophobicContact CD1-CD1 4.37Å; I98-L504 HydrophobicContact CD1-CD2 3.33Å; I98-L504 HydrophobicContact CD1-CG 4.36Å; V500-L504 WeakPolarHBondContact O-CB 3.36Å; V500-L504 PolarHBondContact O-N 3.4Å; K501-L504 PolarHBondContact O-N 2.48Å; K502-L504 VanDerWaalsContact C-N 3.35Å; L504-H506 VanDerWaalsContact C-N 3.28Å; L504-H506 PolarHBondContact O-N 2.86Å; L504-S507 PolarHBondContact O-N 2.67Å; L504-C508 VanDerWaalsContact O-CB 3.28Å; L504-C508 WeakPolarHBondContact O-CB 3.28Å; L504-C508 PolarHBondContact O-N 3.02Å; L504-C508 PolarHBondContact O-SG 3.38Å
505L95Very high94.7Very high2 Ų226.6 Ų26.61%0.0114%0.136CC..Hα-helixtrans-61.3-39.6179.6-73.3177.7000111.7A130 L131 F414 F440 L444 K501 K502 Q503 T509A130-L505 HydrophobicContact CB-CD1 3.97Å; L131-L505 HydrophobicContact CD2-CB 4.31Å; L131-L505 HydrophobicContact CD2-CD1 4.3Å; F414-L505 HydrophobicContact CE1-CD1 4.02Å; F414-L505 HydrophobicContact CZ-CD1 3.77Å; F440-L505 HydrophobicContact CE1-CD2 4.43Å; F440-L505 HydrophobicContact CZ-CD2 4.34Å; L444-L505 HydrophobicContact CD2-CD2 3.82Å; K501-L505 WeakPolarHBondContact O-CG 3.41Å; K501-L505 PolarHBondContact O-N 3.27Å; K502-L505 PolarHBondContact O-N 3.31Å; Q503-L505 PolarHBondContact O-N 2.82Å; L505-T509 WeakPolarHBondContact O-CB 3.49Å; L505-T509 PolarHBondContact O-N 3.3Å; L505-T509 PolarHBondContact O-OG1 3.49Å
506H94.9Very high94.7Very high82 Ų8226.1 Ų26.138%0.3814%0.135SC..Hα-helixtrans-66.7-55.7178.2-173.179000112K502 Q503 L504 T509 V510K502-H506 PolarHBondContact O-N 3.28Å; K502-H506 VanDerWaalsContact O-N 3.16Å; Q503-H506 PolarHBondContact O-N 3.38Å; L504-H506 VanDerWaalsContact C-N 3.28Å; L504-H506 PolarHBondContact O-N 2.86Å; H506-T509 PolarHBondContact O-N 3.03Å; H506-V510 WeakPolarHBondContact O-CG2 3.46Å; H506-V510 PolarHBondContact O-N 2.88Å; H506-V510 VanDerWaalsContact O-N 3.11Å
507S94.5Very high94.6Very high18 Ų1828.6 Ų28.613%0.12615%0.148CC..Hα-helixtrans-63.9-43.1-176-660000112.6Q503 L504 T509 I511Q503-S507 VanDerWaalsContact O-CB 3.31Å; Q503-S507 WeakPolarHBondContact O-CB 3.4Å; Q503-S507 PolarHBondContact O-N 3.11Å; Q503-S507 PolarHBondContact O-OG 2.89Å; L504-S507 PolarHBondContact O-N 2.67Å; S507-T509 VanDerWaalsContact C-N 3.34Å; S507-T509 PolarHBondContact O-N 3.48Å; S507-I511 WeakPolarHBondContact O-CB 3.39Å; S507-I511 VanDerWaalsContact O-CG1 3.28Å; S507-I511 WeakPolarHBondContact O-CG1 3.3Å; S507-I511 PolarHBondContact O-N 2.96Å
508C95.4Very high94.5Very high1 Ų130.9 Ų30.91%0.00716%0.161CC..Hα-helixtrans-59.2-46.8177.4-67.90000111.4N95 I98 I99 L102 L504 I511 A512N95-C508 PolarHBondContact O-SG 3.46Å; N95-C508 PolarHBondContact OD1-SG 3.24Å; I98-C508 HydrophobicContact CG2-CB 3.82Å; I99-C508 HydrophobicContact CG1-CB 3.96Å; L102-C508 HydrophobicContact CD1-CB 4.19Å; L504-C508 VanDerWaalsContact O-CB 3.28Å; L504-C508 WeakPolarHBondContact O-CB 3.28Å; L504-C508 PolarHBondContact O-N 3.02Å; L504-C508 PolarHBondContact O-SG 3.38Å; C508-I511 PolarHBondContact O-N 3.37Å; C508-A512 VanDerWaalsContact O-CB 3.24Å; C508-A512 WeakPolarHBondContact O-CB 3.41Å; C508-A512 PolarHBondContact O-N 3.11Å
509T95.1Very high94.2Very high0 Ų035.2 Ų35.20%019%0.186CC..Hα-helixtrans-65.2-48.6-176.2-51.60000111.2F123 K127 F440 L505 H506 S507 I511 A512 S513F123-T509 HydrophobicContact CB-CG2 3.97Å; K127-T509 HydrophobicContact CB-CG2 3.87Å; K127-T509 HydrophobicContact CD-CG2 4.02Å; K127-T509 HydrophobicContact CG-CG2 4.32Å; F440-T509 HydrophobicContact CE2-CG2 4.2Å; F440-T509 VanDerWaalsContact CE2-OG1 3.3Å; F440-T509 WeakPolarHBondContact CE2-OG1 3.49Å; L505-T509 WeakPolarHBondContact O-CB 3.49Å; L505-T509 PolarHBondContact O-N 3.3Å; L505-T509 PolarHBondContact O-OG1 3.49Å; H506-T509 PolarHBondContact O-N 3.03Å; S507-T509 VanDerWaalsContact C-N 3.34Å; S507-T509 PolarHBondContact O-N 3.48Å; T509-I511 VanDerWaalsContact C-N 3.28Å; T509-I511 PolarHBondContact O-N 2.73Å; T509-A512 PolarHBondContact O-N 3.46Å; T509-S513 VanDerWaalsContact O-CB 3.3Å; T509-S513 WeakPolarHBondContact O-CB 3.27Å; T509-S513 PolarHBondContact O-N 2.91Å; T509-S513 PolarHBondContact O-OG 3.09Å; T509-S513 VanDerWaalsContact O-OG 3.11Å
510V94.8Very high94Very high49 Ų4936.9 Ų36.930%0.29719%0.191SC..Hα-helixtrans-59.2-43.3-178.2171.20000110.6H506 N514H506-V510 WeakPolarHBondContact O-CG2 3.46Å; H506-V510 PolarHBondContact O-N 2.88Å; H506-V510 VanDerWaalsContact O-N 3.11Å; V510-N514 WeakPolarHBondContact O-CB 3.38Å; V510-N514 PolarHBondContact O-N 3.45Å; V510-N514 PolarHBondContact O-ND2 3.12Å
511I95.1Very high93.6Very high23 Ų2338.6 Ų38.612%0.11820%0.2CC..Hα-helixtrans-75.5-43-176.6-64.1-67.2000111.9L76 I77 V80 I99 S507 C508 T509 S513 N514 I515L76-I511 HydrophobicContact CD2-CD1 3.99Å; L76-I511 HydrophobicContact CD2-CG2 3.63Å; I77-I511 HydrophobicContact CG1-CG2 4.49Å; V80-I511 HydrophobicContact CB-CG1 4.27Å; V80-I511 HydrophobicContact CG1-CG1 3.94Å; V80-I511 HydrophobicContact CG2-CD1 3.36Å; V80-I511 HydrophobicContact CG2-CG1 3.47Å; V80-I511 VanDerWaalsContact CG2-CG1 3.47Å; V80-I511 HydrophobicContact CG2-CG2 4.41Å; I99-I511 HydrophobicContact CD1-CB 4.33Å; I99-I511 HydrophobicContact CD1-CG2 4.13Å; S507-I511 WeakPolarHBondContact O-CB 3.39Å; S507-I511 VanDerWaalsContact O-CG1 3.28Å; S507-I511 WeakPolarHBondContact O-CG1 3.3Å; S507-I511 PolarHBondContact O-N 2.96Å; C508-I511 PolarHBondContact O-N 3.37Å; T509-I511 VanDerWaalsContact C-N 3.28Å; T509-I511 PolarHBondContact O-N 2.73Å; I511-S513 VanDerWaalsContact C-N 3.34Å; I511-S513 PolarHBondContact O-N 3.28Å; I511-N514 PolarHBondContact O-N 3.09Å; I511-I515 HydrophobicContact CG2-CD1 3.67Å; I511-I515 HydrophobicContact CG2-CG1 4.35Å; I511-I515 WeakPolarHBondContact O-CB 3.33Å; I511-I515 VanDerWaalsContact O-CG1 3.27Å; I511-I515 WeakPolarHBondContact O-CG1 3.27Å; I511-I515 PolarHBondContact O-N 2.69Å
512A95.4Very high93.2Very high0 Ų042.5 Ų42.50%022%0.219CC..Hα-helixtrans-59.2-4717500000110.8L102 L103 F123 C508 T509 N514 I515 L516L102-A512 HydrophobicContact CB-CB 4.1Å; L102-A512 HydrophobicContact CD1-CB 4.02Å; L103-A512 HydrophobicContact CD2-CB 4.44Å; F123-A512 HydrophobicContact CE2-CB 4.4Å; C508-A512 VanDerWaalsContact O-CB 3.24Å; C508-A512 WeakPolarHBondContact O-CB 3.41Å; C508-A512 PolarHBondContact O-N 3.11Å; T509-A512 PolarHBondContact O-N 3.46Å; A512-N514 PolarHBondContact O-N 3.39Å; A512-I515 PolarHBondContact O-N 2.73Å; A512-L516 VanDerWaalsContact O-CG 3.3Å; A512-L516 WeakPolarHBondContact O-CG 3.44Å; A512-L516 PolarHBondContact O-N 3.02Å
513S94.7Very high92.7Very high13 Ų1347.2 Ų47.29%0.09123%0.234CC..Hα-helixtrans-60.4-44176.4-68.40000112.4T509 I511 I515 L516 L517T509-S513 VanDerWaalsContact O-CB 3.3Å; T509-S513 WeakPolarHBondContact O-CB 3.27Å; T509-S513 PolarHBondContact O-N 2.91Å; T509-S513 PolarHBondContact O-OG 3.09Å; T509-S513 VanDerWaalsContact O-OG 3.11Å; I511-S513 VanDerWaalsContact C-N 3.34Å; I511-S513 PolarHBondContact O-N 3.28Å; S513-I515 PolarHBondContact O-N 3.45Å; S513-L516 PolarHBondContact O-N 2.94Å; S513-L517 VanDerWaalsContact O-CG 3.26Å; S513-L517 WeakPolarHBondContact O-CG 3.43Å; S513-L517 PolarHBondContact O-N 3.44Å
514N94.2Very high92.1Very high91 Ų9147.6 Ų47.649%0.48725%0.248SC..Hα-helixtrans-63.5-41.9177.3-74.3-17.7000112.3V510 I511 A512 L517 V518V510-N514 WeakPolarHBondContact O-CB 3.38Å; V510-N514 PolarHBondContact O-N 3.45Å; V510-N514 PolarHBondContact O-ND2 3.12Å; I511-N514 PolarHBondContact O-N 3.09Å; A512-N514 PolarHBondContact O-N 3.39Å; N514-L517 PolarHBondContact O-N 3.39Å; N514-V518 WeakPolarHBondContact O-CG2 3.35Å
515I94.3Very high91.3Very high6 Ų650.6 Ų50.63%0.03128%0.279CS..Hα-helixtrans-67.2-38.9178.8-68.1168.1000111.3N23 T73 L76 I77 L103 I511 A512 S513 L517 V518N23-I515 HydrophobicContact CB-CG2 3.71Å; T73-I515 HydrophobicContact CG2-CD1 3.88Å; T73-I515 HydrophobicContact CG2-CG1 4.22Å; T73-I515 HydrophobicContact CG2-CG2 3.98Å; L76-I515 HydrophobicContact CD2-CD1 4.14Å; L76-I515 HydrophobicContact CD2-CG1 4.29Å; I77-I515 HydrophobicContact CD1-CD1 4.13Å; I77-I515 HydrophobicContact CG1-CD1 3.93Å; L103-I515 HydrophobicContact CD1-CB 4.47Å; L103-I515 HydrophobicContact CD1-CD1 4.22Å; L103-I515 HydrophobicContact CD1-CG2 3.96Å; L103-I515 HydrophobicContact CD2-CB 4.27Å; L103-I515 HydrophobicContact CD2-CG2 4.04Å; I511-I515 HydrophobicContact CG2-CD1 3.67Å; I511-I515 HydrophobicContact CG2-CG1 4.35Å; I511-I515 WeakPolarHBondContact O-CB 3.33Å; I511-I515 VanDerWaalsContact O-CG1 3.27Å; I511-I515 WeakPolarHBondContact O-CG1 3.27Å; I511-I515 PolarHBondContact O-N 2.69Å; A512-I515 PolarHBondContact O-N 2.73Å; S513-I515 PolarHBondContact O-N 3.45Å; I515-L517 PolarHBondContact O-N 3.17Å; I515-V518 PolarHBondContact O-N 3.35Å
516L93.4Very high90.3Very high4 Ų459 Ų592%0.02132%0.324CS..Hα-helixtrans-64-28.7177-74.9178.1000113.2L20 L103 A106 P116 I119 F123 A512 S513 V518L20-L516 HydrophobicContact CD1-CD2 3.87Å; L103-L516 HydrophobicContact CD2-CD2 3.62Å; L103-L516 HydrophobicContact CD2-CG 3.66Å; A106-L516 HydrophobicContact CB-CD1 3.79Å; A106-L516 HydrophobicContact CB-CD2 3.76Å; A106-L516 HydrophobicContact CB-CG 4.42Å; P116-L516 HydrophobicContact CB-CB 4.46Å; P116-L516 WeakPolarHBondContact CB-O 3.48Å; I119-L516 HydrophobicContact CG2-CD1 4.1Å; F123-L516 HydrophobicContact CD2-CD1 4.09Å; F123-L516 HydrophobicContact CE2-CD1 3.53Å; F123-L516 HydrophobicContact CZ-CD1 4.36Å; A512-L516 VanDerWaalsContact O-CG 3.3Å; A512-L516 WeakPolarHBondContact O-CG 3.44Å; A512-L516 PolarHBondContact O-N 3.02Å; S513-L516 PolarHBondContact O-N 2.94Å; L516-V518 VanDerWaalsContact C-N 3.31Å
517L93.1Very high89.2Confident88 Ų8859.4 Ų59.446%0.46134%0.336SS..THydrogen-bonded Turntrans-87.13.1-179-66173.2000113.4R117 A120 S513 N514 I515 D519R117-L517 HydrophobicContact CB-CD2 4.1Å; R117-L517 HydrophobicContact CG-CD2 4.43Å; A120-L517 HydrophobicContact CB-CD1 4.45Å; A120-L517 HydrophobicContact CB-CD2 4.5Å; A120-L517 HydrophobicContact CB-CG 4.47Å; S513-L517 VanDerWaalsContact O-CG 3.26Å; S513-L517 WeakPolarHBondContact O-CG 3.43Å; S513-L517 PolarHBondContact O-N 3.44Å; N514-L517 PolarHBondContact O-N 3.39Å; I515-L517 PolarHBondContact O-N 3.17Å; L517-D519 PolarHBondContact O-N 3.5Å
518V91.9Very high87.2Confident53 Ų5363.5 Ų63.532%0.32136%0.364SS..  trans-80.4113.4173.8-1790000109.9N514 I515 L516 I521N514-V518 WeakPolarHBondContact O-CG2 3.35Å; I515-V518 PolarHBondContact O-N 3.35Å; L516-V518 VanDerWaalsContact C-N 3.31Å; V518-I521 HydrophobicContact CG1-CG1 4.09Å
519D88.4Confident85.1Confident110 Ų11071.1 Ų71.159%0.58840%0.404SS*.  trans-94.1-35.4177.265.9-24.2000113R15 A16 A19 L517R15-D519 CarbonylContact C-O 3.56Å; A16-D519 VanDerWaalsContact CA-O 3.29Å; A16-D519 WeakPolarHBondContact CA-O 3.31Å; A16-D519 PolarHBondContact N-O 3.13Å; A19-D519 WeakPolarHBondContact CB-O 3.3Å; L517-D519 PolarHBondContact O-N 3.5Å
520E88.1Confident82.6Confident57 Ų5780.4 Ų80.427%0.26644%0.444SS..EExtended strand (participates in β ladder)trans-129132.1177.6-67.7-167.3139.700112.3A14 R15 M522A14-E520 WeakPolarHBondContact O-CA 3.37Å; R15-E520 WeakPolarHBondContact CD-OE1 3.38Å; R15-E520 HydrophobicContact CG-CG 4.2Å; R15-E520 WeakPolarHBondContact CG-OE1 3.38Å; R15-E520 IonicContact CZ-OE1 3.43Å; R15-E520 VanDerWaalsContact CZ-OE1 3.28Å; R15-E520 IonicContact NE-OE1 3.64Å; R15-E520 PolarHBondContact NE-OE1 3.24Å; R15-E520 IonicContact NH2-OE1 2.74Å; R15-E520 PolarHBondContact NH2-OE1 3.38Å; E520-M522 HydrophobicContact CB-CE 4.07Å; E520-M522 WeakPolarHBondContact OE2-CE 3.38Å
521I87.3Confident79.9Confident48 Ų4885.4 Ų85.425%0.24651%0.506CS..EExtended strand (participates in β ladder)trans-104.5115.6168.2-58.6168.8000107.1V13 A14 A19 V22 N23 V518V13-I521 WeakPolarHBondContact CA-O 3.23Å; A14-I521 HydrophobicContact CB-CB 4.41Å; A14-I521 PolarHBondContact N-O 2.69Å; A14-I521 PolarHBondContact O-N 3.31Å; A19-I521 HydrophobicContact CB-CD1 4.15Å; A19-I521 HydrophobicContact CB-CG1 4.03Å; V22-I521 HydrophobicContact CG1-CD1 4.26Å; N23-I521 WeakPolarHBondContact OD1-CD1 3.47Å; V518-I521 HydrophobicContact CG1-CG1 4.09Å
522M86.4Confident79.1Confident95 Ų9588.6 Ų88.647%0.46853%0.525SS..EExtended strand (participates in β ladder)trans-113.2125.5-179.7-60.8-169.9-170.400111.1V4 V13 E520V4-M522 HydrophobicContact CG1-SD 4.19Å; V4-M522 HydrophobicContact CG2-CE 3.73Å; V4-M522 HydrophobicContact CG2-SD 4.26Å; V13-M522 HydrophobicContact CG1-CG 4.27Å; V13-M522 HydrophobicContact CG2-CG 4.32Å; E520-M522 HydrophobicContact CB-CE 4.07Å; E520-M522 WeakPolarHBondContact OE2-CE 3.38Å
523R83.9Confident78.3Confident189 Ų18993.2 Ų93.271%0.71355%0.553SS**EExtended strand (participates in β ladder)trans-100.994.1166.3-158.2179.1-161.5-176.14.9108.8E12E12-R523 HydrophobicContact CB-CB 4.14Å; E12-R523 PolarHBondContact N-O 3.39Å; E12-R523 PolarHBondContact O-N 3.49Å; E12-R523 WeakPolarHBondContact OE2-CD 3.42Å; E12-R523 IonicContact OE2-NH1 3.87Å
524A82.5Confident77.4Confident67 Ų6797.7 Ų97.755%0.55458%0.579SS**  trans-139.6133.2174.700000109A11A11-A524 HydrophobicContact CB-CB 4.36Å
525G78.7Confident76.4Confident66 Ų6698.1 Ų98.168%0.6858%0.584SS**  trans-163156.6177.400000110S527G525-S527 PolarHBondContact O-N 3.43Å; G525-S527 VanDerWaalsContact O-N 3.14Å
526L75.5Confident75.3Confident180 Ų180103.8 Ų103.894%0.94262%0.619SS**  trans-57.7119167.2-85139000107.6S528L526-S528 PolarHBondContact O-N 3.3Å
527S70.4Confident74Confident90 Ų90110.5 Ų110.563%0.62966%0.659SS**  trans-58.2111.6165.6530000106.5G525 L529G525-S527 PolarHBondContact O-N 3.43Å; G525-S527 VanDerWaalsContact O-N 3.14Å; S527-L529 PolarHBondContact O-N 2.99Å
528S52.9Low72.7Confident104 Ų104112.1 Ų112.173%0.72767%0.673SS**  trans-66.880.3167.1176.30000107.3L526 K530L526-S528 PolarHBondContact O-N 3.3Å; S528-K530 PolarHBondContact O-N 3.43Å
529L50.2Low71.2Confident160 Ų160116.6 Ų116.684%0.83870%0.7SS**  trans-70.775.1158.9-82.2157.4000106.6S527S527-L529 PolarHBondContact O-N 2.99Å
530K43.8Very low69.8Low195 Ų195117.2 Ų117.285%0.84871%0.709SS**  trans-138.599.4157.1-87.2-167.2175.7-1780106.4S528S528-K530 PolarHBondContact O-N 3.43Å
531G37.7Very low68.1Low155 Ų155122.6 Ų122.6100%1.59875%0.749SS**  trans112.30172.800000112.6

Retrieved 531 of 531 residues in 663.8 ms (Link to these results)

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