A0A096MPP5_PAPAN Loading...

E3 ubiquitin-protein ligase RNF14

AlphaFold DB (A0A2K6A7A0), UniProt , Accession A0A096MPP5, Species PAPAN (Papio anubis, Olive baboon), Gene RNF14, Length 474 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
1M55.2Low79.6Confident143 Ų14381.2 Ų81.270%0.70442%0.417SS*.  0111.60-62.3-175.983.800107R6 P81M1-R6 HydrophobicContact CE-CB 4.33Å; M1-R6 HydrophobicContact CE-CG 4.25Å; M1-P81 HydrophobicContact CE-CB 4.14Å; M1-P81 HydrophobicContact CG-CB 3.59Å; M1-P81 HydrophobicContact SD-CB 4.18Å
2S66.8Low80.4Confident50 Ų5075.5 Ų75.535%0.3539%0.387SS..  trans-63.2143.7162.8-175.10000107.7E4 D5 R6S2-E4 PolarHBondContact O-N 3.12Å; S2-D5 WeakPolarHBondContact CB-OD2 3.39Å; S2-D5 PolarHBondContact O-N 2.96Å; S2-R6 PolarHBondContact O-N 3.08Å
3S74.6Confident80.9Confident79 Ų7969.8 Ų69.855%0.55236%0.358SS*.Hα-helixtrans-60.7-31.5175.2-171.60000111.2E7S3-E7 PolarHBondContact O-N 2.97Å
4E79.9Confident81.4Confident146 Ų14673.4 Ų73.468%0.68238%0.377SS*.Hα-helixtrans-70.4-41.3-177.7-63.1170164.800111.8S2 R6 E7 A8S2-E4 PolarHBondContact O-N 3.12Å; E4-R6 PolarHBondContact O-N 3.18Å; E4-E7 PolarHBondContact O-N 3.33Å; E4-A8 WeakPolarHBondContact O-CB 3.47Å; E4-A8 PolarHBondContact O-N 3.46Å
5D83.9Confident81.8Confident12 Ų1271.6 Ų71.66%0.06438%0.377CS..Hα-helixtrans-62.7-43177.2-74.6-36.2000111.6S2 A8 Q9 Y83 P84 S85S2-D5 WeakPolarHBondContact CB-OD2 3.39Å; S2-D5 PolarHBondContact O-N 2.96Å; D5-A8 PolarHBondContact O-N 2.82Å; D5-Q9 VanDerWaalsContact O-CG 3.25Å; D5-Q9 WeakPolarHBondContact O-CG 3.35Å; D5-Q9 PolarHBondContact O-N 3.09Å; D5-Y83 WeakPolarHBondContact CB-O 3.26Å; D5-P84 WeakPolarHBondContact OD1-CD 3.36Å; D5-S85 VanDerWaalsContact OD1-CB 3.23Å; D5-S85 WeakPolarHBondContact OD1-CB 3.37Å; D5-S85 PolarHBondContact OD1-N 3.27Å; D5-S85 PolarHBondContact OD1-OG 3.02Å
6R83.4Confident82.1Confident121 Ų12167.3 Ų67.346%0.45736%0.355SS..Hα-helixtrans-67.9-40.3-179.9-173.1-176.862.2158.92.6112M1 S2 E4 Q9 E10M1-R6 HydrophobicContact CE-CB 4.33Å; M1-R6 HydrophobicContact CE-CG 4.25Å; S2-R6 PolarHBondContact O-N 3.08Å; E4-R6 PolarHBondContact O-N 3.18Å; R6-Q9 PolarHBondContact O-N 3.14Å; R6-E10 WeakPolarHBondContact O-CG 3.32Å; R6-E10 PolarHBondContact O-N 2.8Å; R6-E10 VanDerWaalsContact O-N 3.08Å
7E86.3Confident82.4Confident114 Ų11466.9 Ų66.953%0.53336%0.363SS..Hα-helixtrans-63.4-46.5175.9-173.5171.3-168.500110.5S3 E4 Q9 E10 D11S3-E7 PolarHBondContact O-N 2.97Å; E4-E7 PolarHBondContact O-N 3.33Å; E7-Q9 VanDerWaalsContact C-N 3.32Å; E7-Q9 PolarHBondContact O-N 3.35Å; E7-E10 PolarHBondContact O-N 3.06Å; E7-D11 WeakPolarHBondContact O-CB 3.36Å; E7-D11 PolarHBondContact O-N 3.19Å
8A85.6Confident82.6Confident30 Ų3068.3 Ų68.325%0.24838%0.379CS..Hα-helixtrans-59.3-39.8176.200000113.1E4 D5 E12 P84 V121E4-A8 WeakPolarHBondContact O-CB 3.47Å; E4-A8 PolarHBondContact O-N 3.46Å; D5-A8 PolarHBondContact O-N 2.82Å; A8-E12 WeakPolarHBondContact O-CB 3.3Å; A8-E12 PolarHBondContact O-N 2.96Å; A8-P84 HydrophobicContact CB-CG 4.3Å; A8-V121 HydrophobicContact CB-CG1 4.32Å
9Q86.3Confident82.9Confident0 Ų069.9 Ų69.90%039%0.386CS..Hα-helixtrans-64.6-43.7175-73.8178.826.700112.9D5 R6 E7 L13 Q32 L79 P80 Y83D5-Q9 VanDerWaalsContact O-CG 3.25Å; D5-Q9 WeakPolarHBondContact O-CG 3.35Å; D5-Q9 PolarHBondContact O-N 3.09Å; R6-Q9 PolarHBondContact O-N 3.14Å; E7-Q9 VanDerWaalsContact C-N 3.32Å; E7-Q9 PolarHBondContact O-N 3.35Å; Q9-L13 VanDerWaalsContact O-CG 3.24Å; Q9-L13 WeakPolarHBondContact O-CG 3.16Å; Q9-L13 PolarHBondContact O-N 2.7Å; Q9-L13 VanDerWaalsContact O-N 3.14Å; Q9-Q32 VanDerWaalsContact OE1-OE1 3.04Å; Q9-L79 HydrophobicContact CB-CD1 4.14Å; Q9-L79 HydrophobicContact CG-CB 4.49Å; Q9-L79 HydrophobicContact CG-CD1 4Å; Q9-P80 PolarHBondContact NE2-O 3.18Å; Q9-Y83 HydrophobicContact CG-CD1 3.75Å; Q9-Y83 HydrophobicContact CG-CE1 4.36Å; Q9-Y83 PolarHBondContact NE2-O 3.27Å
10E85.5Confident83Confident99 Ų9967.9 Ų67.946%0.46337%0.372SS..Hα-helixtrans-66.4-41.9179.3-74.9-179.9-176.800111.3R6 E7 L13 L14R6-E10 WeakPolarHBondContact O-CG 3.32Å; R6-E10 PolarHBondContact O-N 2.8Å; R6-E10 VanDerWaalsContact O-N 3.08Å; E7-E10 PolarHBondContact O-N 3.06Å; E10-L13 PolarHBondContact O-N 3.08Å; E10-L14 VanDerWaalsContact O-CB 3.3Å; E10-L14 WeakPolarHBondContact O-CB 3.42Å; E10-L14 PolarHBondContact O-N 2.93Å
11D87.9Confident83Confident99 Ų9968.8 Ų68.853%0.52938%0.376SS..Hα-helixtrans-64-43.7177.4-75.4-13.3000112E7 L14 A15E7-D11 WeakPolarHBondContact O-CB 3.36Å; E7-D11 PolarHBondContact O-N 3.19Å; D11-L14 PolarHBondContact O-N 3.32Å; D11-A15 WeakPolarHBondContact O-CB 3.27Å; D11-A15 PolarHBondContact O-N 3.03Å
12E89.9Confident83.9Confident13 Ų1365.1 Ų65.16%0.06138%0.375CS..Hα-helixtrans-61-48.1176.5-176.8178.1-148.400111.5A8 L14 A15 L16 Y83 V121 V122 L123A8-E12 WeakPolarHBondContact O-CB 3.3Å; A8-E12 PolarHBondContact O-N 2.96Å; E12-L14 VanDerWaalsContact C-N 3.29Å; E12-L14 PolarHBondContact O-N 2.82Å; E12-A15 PolarHBondContact O-N 3.07Å; E12-L16 HydrophobicContact CG-CD1 4.44Å; E12-L16 WeakPolarHBondContact O-CG 3.46Å; E12-L16 PolarHBondContact O-N 3.28Å; E12-Y83 PolarHBondContact OE1-OH 3.05Å; E12-Y83 WeakPolarHBondContact OE2-CE1 3.4Å; E12-Y83 PolarHBondContact OE2-OH 3.26Å; E12-V121 HydrophobicContact CB-CB 4.26Å; E12-V121 HydrophobicContact CB-CG1 4Å; E12-V121 VanDerWaalsContact CD-CB 3.45Å; E12-V121 HydrophobicContact CG-CB 4.1Å; E12-V121 HydrophobicContact CG-CG1 4.35Å; E12-V121 WeakPolarHBondContact OE1-CB 3.4Å; E12-V122 PolarHBondContact OE1-N 3.08Å; E12-L123 HydrophobicContact CG-CB 4.38Å; E12-L123 HydrophobicContact CG-CD1 4.2Å; E12-L123 WeakPolarHBondContact OE1-CA 3.35Å; E12-L123 WeakPolarHBondContact OE1-CB 3.41Å; E12-L123 WeakPolarHBondContact OE1-CG 3.4Å; E12-L123 PolarHBondContact OE1-N 2.91Å
13L86.7Confident84.4Confident2 Ų266.6 Ų66.61%0.0138%0.379CS..Hα-helixtrans-64.1-35.3179.1-67.4172.6000112.2Q9 E10 A17 F25 K27 F77 L79 L123Q9-L13 VanDerWaalsContact O-CG 3.24Å; Q9-L13 WeakPolarHBondContact O-CG 3.16Å; Q9-L13 PolarHBondContact O-N 2.7Å; Q9-L13 VanDerWaalsContact O-N 3.14Å; E10-L13 PolarHBondContact O-N 3.08Å; L13-A17 WeakPolarHBondContact O-CB 3.45Å; L13-A17 PolarHBondContact O-N 2.91Å; L13-F25 HydrophobicContact CD2-CZ 3.81Å; L13-K27 HydrophobicContact CD1-CD 4.43Å; L13-F77 HydrophobicContact CD2-CE2 3.93Å; L13-F77 HydrophobicContact CD2-CZ 3.9Å; L13-L79 HydrophobicContact CD1-CD1 4.14Å; L13-L79 HydrophobicContact CD2-CD1 4.32Å; L13-L79 HydrophobicContact CG-CD1 4.25Å; L13-L123 HydrophobicContact CD2-CD1 4.32Å
14L87.1Confident84.8Confident120 Ų12064.9 Ų64.963%0.62836%0.363SS*.Hα-helixtrans-72.8-37178.1-168.1133000111.9E10 D11 E12 S18E10-L14 VanDerWaalsContact O-CB 3.3Å; E10-L14 WeakPolarHBondContact O-CB 3.42Å; E10-L14 PolarHBondContact O-N 2.93Å; D11-L14 PolarHBondContact O-N 3.32Å; E12-L14 VanDerWaalsContact C-N 3.29Å; E12-L14 PolarHBondContact O-N 2.82Å; L14-S18 PolarHBondContact O-N 3.04Å; L14-S18 VanDerWaalsContact O-N 3.17Å; L14-S18 PolarHBondContact O-OG 2.88Å
15A87.9Confident85.3Confident46 Ų4658.5 Ų58.538%0.3833%0.333SS..Hα-helixtrans-62.3-47.5171.800000111D11 E12 A17 S18 I19D11-A15 WeakPolarHBondContact O-CB 3.27Å; D11-A15 PolarHBondContact O-N 3.03Å; E12-A15 PolarHBondContact O-N 3.07Å; A15-A17 PolarHBondContact O-N 3.41Å; A15-S18 WeakPolarHBondContact O-CB 3.05Å; A15-S18 PolarHBondContact O-N 2.86Å; A15-I19 VanDerWaalsContact O-CG1 3.31Å; A15-I19 WeakPolarHBondContact O-CG1 3.29Å; A15-I19 PolarHBondContact O-N 3.47Å
16L87.4Confident85.3Confident3 Ų366 Ų662%0.01636%0.36CS..Hα-helixtrans-61-44.7177.2-68.9178.2000112.3E12 S18 I19 Y20 F25 L123 F124 M127E12-L16 HydrophobicContact CG-CD1 4.44Å; E12-L16 WeakPolarHBondContact O-CG 3.46Å; E12-L16 PolarHBondContact O-N 3.28Å; L16-S18 PolarHBondContact O-N 3.43Å; L16-S18 VanDerWaalsContact O-N 3.15Å; L16-I19 PolarHBondContact O-N 3.11Å; L16-Y20 HydrophobicContact CD2-CD2 4.09Å; L16-Y20 HydrophobicContact CD2-CE2 3.77Å; L16-Y20 WeakPolarHBondContact O-CD2 3.26Å; L16-Y20 PolarHBondContact O-N 3.01Å; L16-F25 HydrophobicContact CB-CD1 4.29Å; L16-F25 HydrophobicContact CB-CD2 4.34Å; L16-F25 HydrophobicContact CB-CE1 4.12Å; L16-F25 HydrophobicContact CB-CE2 4.18Å; L16-F25 HydrophobicContact CB-CG 4.39Å; L16-F25 HydrophobicContact CB-CZ 4.06Å; L16-F25 HydrophobicContact CD1-CE2 3.94Å; L16-F25 HydrophobicContact CD1-CZ 4.25Å; L16-L123 HydrophobicContact CD1-CB 3.74Å; L16-L123 HydrophobicContact CD1-CD1 3.91Å; L16-F124 HydrophobicContact CD2-CB 4.19Å; L16-F124 HydrophobicContact CD2-CD2 4.23Å; L16-M127 HydrophobicContact CD1-SD 4.2Å; L16-M127 HydrophobicContact CD2-SD 3.7Å
17A86Confident85.3Confident60 Ų6065.3 Ų65.350%0.49636%0.36SS..Hα-helixtrans-64.9-15.7176.200000114.1L13 A15 F25L13-A17 WeakPolarHBondContact O-CB 3.45Å; L13-A17 PolarHBondContact O-N 2.91Å; A15-A17 PolarHBondContact O-N 3.41Å; A17-F25 HydrophobicContact CB-CD1 4.14Å; A17-F25 HydrophobicContact CB-CE1 4.13Å
18S87.4Confident85.1Confident93 Ų9361.7 Ų61.765%0.6535%0.35SS*.Hα-helixtrans-93.5-27.9176-57.50000112.9L14 A15 L16L14-S18 PolarHBondContact O-N 3.04Å; L14-S18 VanDerWaalsContact O-N 3.17Å; L14-S18 PolarHBondContact O-OG 2.88Å; A15-S18 WeakPolarHBondContact O-CB 3.05Å; A15-S18 PolarHBondContact O-N 2.86Å; L16-S18 PolarHBondContact O-N 3.43Å; L16-S18 VanDerWaalsContact O-N 3.15Å
19I86.6Confident84.4Confident98 Ų9869.6 Ų69.650%0.50338%0.382SS..Hα-helixtrans-85-41-179-65.7164.8000110.8A15 L16 F124A15-I19 VanDerWaalsContact O-CG1 3.31Å; A15-I19 WeakPolarHBondContact O-CG1 3.29Å; A15-I19 PolarHBondContact O-N 3.47Å; L16-I19 PolarHBondContact O-N 3.11Å; I19-F124 HydrophobicContact CD1-CD2 4.09Å; I19-F124 HydrophobicContact CD1-CE2 3.99Å
20Y86Confident83.4Confident30 Ų3075 Ų7512%0.11842%0.42CS..SBendtrans-107.6146.5-174.2-59.9-78.6000110.7L16 E24 F124 M127L16-Y20 HydrophobicContact CD2-CD2 4.09Å; L16-Y20 HydrophobicContact CD2-CE2 3.77Å; L16-Y20 WeakPolarHBondContact O-CD2 3.26Å; L16-Y20 PolarHBondContact O-N 3.01Å; Y20-E24 HydrophobicContact CD1-CB 4.36Å; Y20-E24 WeakPolarHBondContact CD1-OE2 3.37Å; Y20-F124 HydrophobicContact CE2-CD2 4.43Å; Y20-M127 HydrophobicContact CD1-CE 3.86Å; Y20-M127 HydrophobicContact CD2-CE 3.41Å; Y20-M127 VanDerWaalsContact CD2-CE 3.41Å; Y20-M127 HydrophobicContact CD2-SD 4.39Å; Y20-M127 HydrophobicContact CE1-CE 3.68Å; Y20-M127 HydrophobicContact CE2-CE 3.21Å; Y20-M127 HydrophobicContact CE2-SD 4.01Å; Y20-M127 HydrophobicContact CG-CE 3.75Å
21D82.1Confident82.8Confident86 Ų8673.5 Ų73.546%0.4642%0.417SS..  trans-76.6172.2176.471.219.4000111.8D23 E24 F25D21-D23 PolarHBondContact O-N 3.32Å; D21-D23 WeakPolarHBondContact OD1-CA 3.15Å; D21-D23 WeakPolarHBondContact OD1-CB 3.42Å; D21-D23 PolarHBondContact OD1-N 3.43Å; D21-E24 PolarHBondContact O-N 3.17Å; D21-E24 VanDerWaalsContact O-N 3.14Å; D21-E24 PolarHBondContact OD1-N 3.43Å; D21-F25 PolarHBondContact O-N 3.19Å
22G74.9Confident82.2Confident66 Ų6671 Ų7168%0.6840%0.402SS*.THydrogen-bonded Turntrans-68.8-10.8-179.300000114.8
23D78.1Confident81.9Confident81 Ų8170.5 Ų70.543%0.43340%0.4SS..THydrogen-bonded Turntrans-82.9-33.1172.5-74-15.1000110.4D21 R37 K211D21-D23 PolarHBondContact O-N 3.32Å; D21-D23 WeakPolarHBondContact OD1-CA 3.15Å; D21-D23 WeakPolarHBondContact OD1-CB 3.42Å; D21-D23 PolarHBondContact OD1-N 3.43Å; D23-R37 WeakPolarHBondContact O-CD 3.23Å; D23-K211 IonicContact OD2-NZ 2.94Å; D23-K211 PolarHBondContact OD2-NZ 2.77Å
24E83.1Confident81.9Confident44 Ų4470.8 Ų70.821%0.20640%0.404CS..THydrogen-bonded Turntrans-87.3-37.8-179.3-73.4-178.6145.800113.7Y20 D21 T36 R37 Y39Y20-E24 HydrophobicContact CD1-CB 4.36Å; Y20-E24 WeakPolarHBondContact CD1-OE2 3.37Å; D21-E24 PolarHBondContact O-N 3.17Å; D21-E24 VanDerWaalsContact O-N 3.14Å; D21-E24 PolarHBondContact OD1-N 3.43Å; E24-T36 CarbonylContact O-C 3.58Å; E24-T36 VanDerWaalsContact O-CA 3.32Å; E24-T36 WeakPolarHBondContact O-CA 3.41Å; E24-R37 PolarHBondContact O-N 2.95Å; E24-Y39 HydrophobicContact CG-CD2 3.97Å; E24-Y39 HydrophobicContact CG-CE2 3.77Å
25F88.4Confident82Confident12 Ų1267.7 Ų67.75%0.05339%0.386CS..EExtended strand (participates in β ladder)trans-133.4129.4-177.5179.5-101.9000112.7L13 L16 A17 D21 K27 T36 F77L13-F25 HydrophobicContact CD2-CZ 3.81Å; L16-F25 HydrophobicContact CB-CD1 4.29Å; L16-F25 HydrophobicContact CB-CD2 4.34Å; L16-F25 HydrophobicContact CB-CE1 4.12Å; L16-F25 HydrophobicContact CB-CE2 4.18Å; L16-F25 HydrophobicContact CB-CG 4.39Å; L16-F25 HydrophobicContact CB-CZ 4.06Å; L16-F25 HydrophobicContact CD1-CE2 3.94Å; L16-F25 HydrophobicContact CD1-CZ 4.25Å; A17-F25 HydrophobicContact CB-CD1 4.14Å; A17-F25 HydrophobicContact CB-CE1 4.13Å; D21-F25 PolarHBondContact O-N 3.19Å; F25-K27 HydrophobicContact CE1-CB 4.34Å; F25-T36 WeakPolarHBondContact CD2-OG1 3.47Å; F25-F77 AromaticContact CE2-CE1 3.99Å; F25-F77 HydrophobicContact CE2-CE1 3.99Å; F25-F77 AromaticContact CE2-CZ 3.81Å; F25-F77 HydrophobicContact CE2-CZ 3.81Å; F25-F77 HydrophobicContact CZ-CZ 4.32Å
26R84.9Confident82.1Confident170 Ų17065.5 Ų65.564%0.64237%0.368SS*.EExtended strand (participates in β ladder)trans-132.1117.2176.6-175176.9169.8-167.2-3.3111.7G34 E35R26-G34 CarbonylContact O-C 3.51Å; R26-G34 WeakPolarHBondContact O-CA 3.47Å; R26-E35 PolarHBondContact N-O 3.15Å; R26-E35 PolarHBondContact O-N 3.41Å
27K84.3Confident82.1Confident105 Ų10570.1 Ų70.146%0.45739%0.385SS..EExtended strand (participates in β ladder)trans-73137.1171.3-173.6174.7177.3172.60111L13 F25L13-K27 HydrophobicContact CD1-CD 4.43Å; F25-K27 HydrophobicContact CE1-CB 4.34Å
28A81.4Confident82.2Confident38 Ų3867.5 Ų67.531%0.31436%0.363SS..  trans-73.7138.4171.900000110.8G33A28-G33 WeakPolarHBondContact CB-O 3.48Å; A28-G33 PolarHBondContact N-O 3.11Å
29E71.1Confident82.1Confident197 Ų19765.5 Ų65.592%0.92134%0.341SS*.SBendtrans-76.8-25.6-177.6-68-179.4-178.800113.1
30S64.5Low82Confident114 Ų11461.3 Ų61.380%0.79732%0.32SS*.SBendtrans-108.3-17.3-169.751.50000115.1
31V73.9Confident81.7Confident66 Ų6664.8 Ų64.840%0.434%0.341SS..SBendtrans-135.8148.7-176.1-170.30000108.5G33 E78V31-G33 PolarHBondContact O-N 3.14Å; V31-E78 HydrophobicContact CG1-CG 4.4Å
32Q75.4Confident81.7Confident48 Ų4862.1 Ų62.122%0.22433%0.326CS..SBendtrans-68.482.3167.8-103172.5-40.800108.6Q9 L79Q9-Q32 VanDerWaalsContact OE1-OE1 3.04Å; Q32-L79 HydrophobicContact CB-CB 4.34Å; Q32-L79 WeakPolarHBondContact O-CB 3.46Å; Q32-L79 PolarHBondContact O-N 3.49Å
33G82.6Confident82Confident1 Ų162.6 Ų62.61%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-166.8178.7-175.600000111.2A28 V31 F77A28-G33 WeakPolarHBondContact CB-O 3.48Å; A28-G33 PolarHBondContact N-O 3.11Å; V31-G33 PolarHBondContact O-N 3.14Å; G33-F77 CarbonylContact C-O 3.55Å; G33-F77 WeakPolarHBondContact CA-O 3.35Å
34G87Confident81.8Confident9 Ų967.6 Ų67.69%0.09334%0.338CS..EExtended strand (participates in β ladder)trans-167.5166.7-17800000114R26 F77R26-G34 CarbonylContact O-C 3.51Å; R26-G34 WeakPolarHBondContact O-CA 3.47Å; G34-F77 PolarHBondContact N-O 3.11Å; G34-F77 WeakPolarHBondContact O-CD1 3.41Å; G34-F77 PolarHBondContact O-N 3.07Å
35E89.6Confident81.4Confident54 Ų5471.3 Ų71.325%0.25236%0.359SS..EExtended strand (participates in β ladder)trans-106.6133.9168.1176179.2100.700108R26 R37 V74 N76R26-E35 PolarHBondContact N-O 3.15Å; R26-E35 PolarHBondContact O-N 3.41Å; E35-R37 IonicContact OE1-CZ 3.44Å; E35-R37 IonicContact OE1-NE 3.03Å; E35-R37 PolarHBondContact OE1-NE 3.36Å; E35-R37 IonicContact OE1-NH2 2.98Å; E35-R37 PolarHBondContact OE1-NH2 2.83Å; E35-V74 HydrophobicContact CG-CG1 3.69Å; E35-N76 WeakPolarHBondContact CB-OD1 3.38Å; E35-N76 WeakPolarHBondContact CG-OD1 3.24Å
36T88.7Confident81.2Confident1 Ų170.8 Ų70.81%0.00636%0.357CS..EExtended strand (participates in β ladder)trans-124.8131.8173.6-54.10000110.2E24 F25 I38 V74 L75 M127E24-T36 CarbonylContact O-C 3.58Å; E24-T36 VanDerWaalsContact O-CA 3.32Å; E24-T36 WeakPolarHBondContact O-CA 3.41Å; F25-T36 WeakPolarHBondContact CD2-OG1 3.47Å; T36-I38 HydrophobicContact CG2-CD1 4.39Å; T36-I38 HydrophobicContact CG2-CG1 3.87Å; T36-V74 WeakPolarHBondContact O-CA 3.27Å; T36-L75 PolarHBondContact N-O 3.19Å; T36-L75 PolarHBondContact O-N 2.98Å; T36-M127 HydrophobicContact CG2-CE 3.27Å; T36-M127 HydrophobicContact CG2-CG 3.96Å; T36-M127 HydrophobicContact CG2-SD 3.68Å
37R88.4Confident81.1Confident99 Ų9965.9 Ų65.937%0.37434%0.34SS..EExtended strand (participates in β ladder)trans-107.6117.4175.6-59.8-175.4-175171.5-1.3109.6D23 E24 E35 Y39 P72 L73 V74D23-R37 WeakPolarHBondContact O-CD 3.23Å; E24-R37 PolarHBondContact O-N 2.95Å; E35-R37 IonicContact OE1-CZ 3.44Å; E35-R37 IonicContact OE1-NE 3.03Å; E35-R37 PolarHBondContact OE1-NE 3.36Å; E35-R37 IonicContact OE1-NH2 2.98Å; E35-R37 PolarHBondContact OE1-NH2 2.83Å; R37-Y39 HydrophobicContact CB-CE2 4.16Å; R37-P72 HydrophobicContact CB-CB 4.14Å; R37-P72 HydrophobicContact CB-CG 4.31Å; R37-L73 WeakPolarHBondContact CA-O 3.34Å; R37-V74 HydrophobicContact CG-CG2 4.46Å
38I87.4Confident81.2Confident6 Ų660.9 Ų60.93%0.03132%0.319CS..EExtended strand (participates in β ladder)trans-109110.5-169.6-58.1160.6000108.8T36 P72 L73 L75 L130 K131T36-I38 HydrophobicContact CG2-CD1 4.39Å; T36-I38 HydrophobicContact CG2-CG1 3.87Å; I38-P72 CarbonylContact O-C 3.51Å; I38-P72 WeakPolarHBondContact O-CA 3.25Å; I38-P72 WeakPolarHBondContact O-CB 3.22Å; I38-L73 HydrophobicContact CB-CB 4.4Å; I38-L73 PolarHBondContact N-O 3.47Å; I38-L73 PolarHBondContact O-N 3.31Å; I38-L75 HydrophobicContact CD1-CB 4.13Å; I38-L130 HydrophobicContact CD1-CB 3.75Å; I38-L130 HydrophobicContact CD1-CD1 3.36Å; I38-L130 HydrophobicContact CD1-CG 4.19Å; I38-L130 HydrophobicContact CG2-CB 3.97Å; I38-K131 HydrophobicContact CG2-CB 4.05Å
39Y85.1Confident81.2Confident50 Ų5062 Ų6220%0.19632%0.317CS..  trans-89.9118.1176.3-59.6-98.6000108.9E24 R37 P72 F204E24-Y39 HydrophobicContact CG-CD2 3.97Å; E24-Y39 HydrophobicContact CG-CE2 3.77Å; R37-Y39 HydrophobicContact CB-CE2 4.16Å; Y39-P72 HydrophobicContact CD1-CB 4.23Å; Y39-P72 HydrophobicContact CD2-CB 4.47Å; Y39-P72 HydrophobicContact CE1-CB 4.28Å; Y39-P72 HydrophobicContact CE1-CG 4.24Å; Y39-P72 HydrophobicContact CE2-CB 4.44Å; Y39-P72 HydrophobicContact CG-CB 4.34Å; Y39-F204 AromaticContact CD1-CZ 4Å; Y39-F204 HydrophobicContact CD1-CZ 4Å; Y39-F204 HydrophobicContact CE1-CE2 4.32Å; Y39-F204 AromaticContact CE1-CZ 3.65Å; Y39-F204 HydrophobicContact CE1-CZ 3.65Å
40L84.3Confident81.4Confident11 Ų1153 Ų536%0.05828%0.275CS..  trans-79.7144-179.5-66.7120.9000112L42 L73 W97 L130 T134 L135L40-L42 PolarHBondContact O-N 2.8Å; L40-L73 HydrophobicContact CD1-CD1 4.26Å; L40-L73 HydrophobicContact CD1-CG 4.14Å; L40-W97 HydrophobicContact CD1-CH2 3.79Å; L40-W97 HydrophobicContact CD1-CZ2 3.25Å; L40-L130 VanDerWaalsContact CD2-O 3.23Å; L40-L130 WeakPolarHBondContact CD2-O 3.42Å; L40-T134 VanDerWaalsContact CD2-CB 3.48Å; L40-T134 HydrophobicContact CD2-CG2 3.75Å; L40-L135 HydrophobicContact CD2-CD2 4.45Å; L40-L135 HydrophobicContact CD2-CG 4.22Å
41D80.3Confident81.7Confident102 Ų10250.2 Ų50.255%0.54526%0.256SS..  trans-81.7105.2173.4-69.1-36.2000109.9
42L82.3Confident80.8Confident31 Ų3149.8 Ų49.816%0.16227%0.265CS..PPolyproline II helixtrans-87.6143.3-179.6-66.6168.2000112L40 F46 L70 L135L40-L42 PolarHBondContact O-N 2.8Å; L42-F46 HydrophobicContact CB-CB 4.4Å; L42-F46 HydrophobicContact CD2-CD1 4.18Å; L42-F46 HydrophobicContact CD2-CD2 4.32Å; L42-F46 HydrophobicContact CD2-CE1 4.3Å; L42-F46 HydrophobicContact CD2-CE2 4.44Å; L42-F46 HydrophobicContact CD2-CG 4.17Å; L42-F46 HydrophobicContact CD2-CZ 4.42Å; L42-L70 HydrophobicContact CD1-CB 4.04Å; L42-L70 HydrophobicContact CD1-CD1 3.96Å; L42-L70 HydrophobicContact CD1-CG 3.7Å; L42-L70 HydrophobicContact CD2-CD1 3.75Å; L42-L70 HydrophobicContact CD2-CG 4.42Å; L42-L70 HydrophobicContact CG-CD1 4.43Å; L42-L135 HydrophobicContact CD2-CD1 3.82Å; L42-L135 HydrophobicContact CD2-CD2 4.44Å
43P81.1Confident79.5Confident76 Ų7655.5 Ų55.549%0.49430%0.296SS..PPolyproline II helixtrans-67.4158.2173.529.1-34000111.5N45 F46P43-N45 PolarHBondContact O-N 2.87Å; P43-F46 HydrophobicContact CG-CB 4.41Å; P43-F46 HydrophobicContact CG-CD2 3.83Å; P43-F46 PolarHBondContact O-N 2.9Å
44Q73.6Confident77.7Confident186 Ų18660 Ų6087%0.86933%0.328SS*.THydrogen-bonded Turntrans-60135.4178.7-67.5-176.97.400111.6F46Q44-F46 VanDerWaalsContact C-N 3.35Å
45N75.3Confident75.9Confident121 Ų12167.1 Ų67.165%0.64736%0.364SS*.THydrogen-bonded Turntrans60.337.8-178.5-51.5-54000114P43 K47 T66P43-N45 PolarHBondContact O-N 2.87Å; N45-K47 WeakPolarHBondContact O-CG 3.22Å; N45-K47 PolarHBondContact O-N 2.98Å; N45-T66 HydrophobicContact CB-CG2 4.41Å
46F83.4Confident74Confident2 Ų273.7 Ų73.71%0.00940%0.395CS..EExtended strand (participates in β ladder)trans-61.9131.1173.7-171.3-97.1000110.6L42 P43 Q44 I48 T66 I67 L70 I140 F144L42-F46 HydrophobicContact CB-CB 4.4Å; L42-F46 HydrophobicContact CD2-CD1 4.18Å; L42-F46 HydrophobicContact CD2-CD2 4.32Å; L42-F46 HydrophobicContact CD2-CE1 4.3Å; L42-F46 HydrophobicContact CD2-CE2 4.44Å; L42-F46 HydrophobicContact CD2-CG 4.17Å; L42-F46 HydrophobicContact CD2-CZ 4.42Å; P43-F46 HydrophobicContact CG-CB 4.41Å; P43-F46 HydrophobicContact CG-CD2 3.83Å; P43-F46 PolarHBondContact O-N 2.9Å; Q44-F46 VanDerWaalsContact C-N 3.35Å; F46-I48 HydrophobicContact CD1-CG2 4.31Å; F46-I48 HydrophobicContact CE1-CG2 3.88Å; F46-T66 WeakPolarHBondContact O-CA 3.4Å; F46-I67 HydrophobicContact CD1-CD1 4.08Å; F46-I67 HydrophobicContact CD1-CG1 3.93Å; F46-I67 HydrophobicContact CE1-CD1 4.46Å; F46-I67 PolarHBondContact O-N 2.89Å; F46-L70 HydrophobicContact CE1-CD1 4.31Å; F46-I140 HydrophobicContact CE2-CG2 4.23Å; F46-I140 HydrophobicContact CZ-CG2 3.95Å; F46-F144 HydrophobicContact CE1-CB 3.96Å; F46-F144 HydrophobicContact CE2-CB 4.42Å; F46-F144 HydrophobicContact CZ-CB 3.51Å; F46-F144 HydrophobicContact CZ-CG 4.21Å
47K84.3Confident71.3Confident66 Ų6679.8 Ų79.829%0.28744%0.436SS..EExtended strand (participates in β ladder)trans-115.3138.2-178.8-57.1-170-179.6-177.60111.6N45 E64 Y65 S142 P143 F144N45-K47 WeakPolarHBondContact O-CG 3.22Å; N45-K47 PolarHBondContact O-N 2.98Å; K47-E64 HydrophobicContact CB-CG 4.09Å; K47-E64 HydrophobicContact CD-CG 3.85Å; K47-E64 WeakPolarHBondContact CD-OE1 3.44Å; K47-E64 VanDerWaalsContact NZ-CD 3.34Å; K47-E64 IonicContact NZ-OE1 2.82Å; K47-E64 PolarHBondContact NZ-OE1 2.87Å; K47-E64 IonicContact NZ-OE2 3.92Å; K47-E64 PolarHBondContact NZ-OE2 3.5Å; K47-Y65 CarbonylContact C-O 3.58Å; K47-Y65 WeakPolarHBondContact CA-O 3.38Å; K47-S142 PolarHBondContact N-OG 2.87Å; K47-P143 HydrophobicContact CB-CB 4.17Å; K47-P143 CarbonylContact O-C 3.52Å; K47-P143 VanDerWaalsContact O-CA 3.28Å; K47-P143 WeakPolarHBondContact O-CA 3.28Å; K47-F144 PolarHBondContact O-N 2.9Å
48I84.9Confident69.2Low0 Ų083.6 Ų83.60%046%0.463CS..EExtended strand (participates in β ladder)trans-105.1140.7169.459.1170000109.4F46 E64 Y65 I67 F144 L146 I201F46-I48 HydrophobicContact CD1-CG2 4.31Å; F46-I48 HydrophobicContact CE1-CG2 3.88Å; I48-E64 WeakPolarHBondContact O-CA 3.16Å; I48-Y65 HydrophobicContact CD1-CD2 4.43Å; I48-Y65 HydrophobicContact CG1-CD2 4.31Å; I48-Y65 PolarHBondContact N-O 2.88Å; I48-Y65 PolarHBondContact O-N 3.09Å; I48-I67 HydrophobicContact CD1-CD1 4.48Å; I48-I67 HydrophobicContact CD1-CG2 4.36Å; I48-I67 HydrophobicContact CG2-CD1 3.62Å; I48-I67 HydrophobicContact CG2-CG1 4.27Å; I48-F144 CarbonylContact C-O 3.45Å; I48-F144 WeakPolarHBondContact CA-O 3.28Å; I48-L146 HydrophobicContact CB-CD1 4.4Å; I48-L146 HydrophobicContact CD1-CD1 4.06Å; I48-I201 HydrophobicContact CD1-CG2 3.99Å
49F82.1Confident67.2Low62 Ų6290.9 Ų90.927%0.27250%0.496SS..EExtended strand (participates in β ladder)trans-125140.7-179.9176.1-100.2000110.3G62 F63 P143 F144 E145 L146F49-G62 VanDerWaalsContact CE2-CA 3.45Å; F49-F63 WeakPolarHBondContact CA-O 3.42Å; F49-P143 HydrophobicContact CB-CB 4.23Å; F49-F144 PolarHBondContact N-O 3.11Å; F49-E145 HydrophobicContact CD1-CG 4.36Å; F49-E145 WeakPolarHBondContact O-CA 3.45Å; F49-L146 PolarHBondContact O-N 2.96Å; F49-L146 VanDerWaalsContact O-N 3.09Å
50V76.3Confident65.3Low9 Ų997 Ų976%0.05553%0.532CS..EExtended strand (participates in β ladder)trans-124.7116.7175.8-176.40000109.6G52 G62 F63 L146 L194 I198V50-G52 PolarHBondContact O-N 3.49Å; V50-G62 CarbonylContact O-C 3.57Å; V50-G62 WeakPolarHBondContact O-CA 3.45Å; V50-F63 PolarHBondContact N-O 3.45Å; V50-F63 PolarHBondContact O-N 2.96Å; V50-L146 HydrophobicContact CG2-CB 4.33Å; V50-L146 HydrophobicContact CG2-CD1 3.99Å; V50-L194 HydrophobicContact CG1-CD2 3.39Å; V50-L194 HydrophobicContact CG1-CG 4.01Å; V50-I198 HydrophobicContact CB-CD1 4.27Å; V50-I198 HydrophobicContact CG1-CD1 4.13Å; V50-I198 HydrophobicContact CG2-CD1 3.67Å; V50-I198 HydrophobicContact CG2-CG1 3.89Å
51S69.4Low63.7Low55 Ų5599.5 Ų99.539%0.38555%0.551SS.*  trans-71.5113.5170.938.80000109N53 E145S51-N53 PolarHBondContact O-N 2.87Å; S51-E145 WeakPolarHBondContact CB-OE1 3.41Å; S51-E145 PolarHBondContact OG-OE1 2.59Å
52G56.2Low62.8Low57 Ų5795.9 Ų95.959%0.58854%0.538SS*.  trans-62.2126.317500000110V50 S54V50-G52 PolarHBondContact O-N 3.49Å; G52-S54 PolarHBondContact O-N 3.18Å; G52-S54 VanDerWaalsContact O-N 3.08Å
53N47.8Very low62.3Low167 Ų167100.4 Ų100.489%0.89356%0.556SS**  trans-63.8113.4173.7-128.90.2000107.7S51 N55S51-N53 PolarHBondContact O-N 2.87Å; N53-N55 PolarHBondContact O-N 3.48Å
54S45.1Very low62.4Low97 Ų97101.4 Ų101.468%0.67855%0.554SS**SBendtrans-60.798.2179.8490000110.1G52G52-S54 PolarHBondContact O-N 3.18Å; G52-S54 VanDerWaalsContact O-N 3.08Å
55N49.7Very low62.7Low158 Ų15896.2 Ų96.285%0.84553%0.527SS*.SBendtrans-158.7-2.3153.6-103.6-18.6000117.9N53N53-N55 PolarHBondContact O-N 3.48Å
56E48.3Very low63.1Low192 Ų19294 Ų9490%0.89752%0.519SS*.SBendtrans-142.7123.3167-70.2-169.915800112.1
57C31.8Very low63.3Low128 Ų12894 Ų9487%0.86552%0.519SS*.SBendtrans86.8144.9167.2-137.70000119.5Q59C57-Q59 PolarHBondContact O-N 3.39Å
58L45.7Very low63.1Low180 Ų18094.1 Ų94.194%0.94253%0.527SS*.SBendtrans-68.433.1-165.5-85.6136.1000116.6
59Q44.5Very low63.1Low158 Ų15896.9 Ų96.974%0.73854%0.539SS*.  trans-128.997.8176.3-70.5-177.7-6.500111.2C57 S61C57-Q59 PolarHBondContact O-N 3.39Å; Q59-S61 PolarHBondContact O-N 3.37Å
60N45.3Very low63.3Low178 Ų17894.2 Ų94.295%0.95253%0.527SS*.  trans-69.952.9165.2-99.5-2.1000111.3
61S51.3Low63.7Low65 Ų6594.2 Ų94.246%0.45553%0.528SS..  trans-128.8103.8178.154.50000109.2Q59Q59-S61 PolarHBondContact O-N 3.37Å
62G61.3Low64.6Low25 Ų2592.6 Ų92.626%0.25852%0.516SS..  trans-60.7156.6165.200000111.1F49 V50F49-G62 VanDerWaalsContact CE2-CA 3.45Å; V50-G62 CarbonylContact O-C 3.57Å; V50-G62 WeakPolarHBondContact O-CA 3.45Å
63F72.3Confident66.2Low127 Ų12789.9 Ų89.956%0.55749%0.488SS*.EExtended strand (participates in β ladder)trans-89.6132.9-178.8-62.5-85000110F49 V50 Y65F49-F63 WeakPolarHBondContact CA-O 3.42Å; V50-F63 PolarHBondContact N-O 3.45Å; V50-F63 PolarHBondContact O-N 2.96Å; F63-Y65 HydrophobicContact CB-CD2 4.45Å; F63-Y65 HydrophobicContact CB-CE2 3.56Å
64E82.4Confident68.3Low97 Ų9783.2 Ų83.245%0.45345%0.453SS..EExtended strand (participates in β ladder)trans-112.3126.5177.2-168.1-176.1-140.500109.4K47 I48K47-E64 HydrophobicContact CB-CG 4.09Å; K47-E64 HydrophobicContact CD-CG 3.85Å; K47-E64 WeakPolarHBondContact CD-OE1 3.44Å; K47-E64 VanDerWaalsContact NZ-CD 3.34Å; K47-E64 IonicContact NZ-OE1 2.82Å; K47-E64 PolarHBondContact NZ-OE1 2.87Å; K47-E64 IonicContact NZ-OE2 3.92Å; K47-E64 PolarHBondContact NZ-OE2 3.5Å; I48-E64 WeakPolarHBondContact O-CA 3.16Å
65Y80.4Confident70.4Confident76 Ų7678.7 Ų78.730%0.29842%0.421SS..EExtended strand (participates in β ladder)trans-122.4138.6177.8-55.4-89.9000110K47 I48 F63 I198 L202K47-Y65 CarbonylContact C-O 3.58Å; K47-Y65 WeakPolarHBondContact CA-O 3.38Å; I48-Y65 HydrophobicContact CD1-CD2 4.43Å; I48-Y65 HydrophobicContact CG1-CD2 4.31Å; I48-Y65 PolarHBondContact N-O 2.88Å; I48-Y65 PolarHBondContact O-N 3.09Å; F63-Y65 HydrophobicContact CB-CD2 4.45Å; F63-Y65 HydrophobicContact CB-CE2 3.56Å; Y65-I198 HydrophobicContact CD2-CG2 4.44Å; Y65-I198 HydrophobicContact CE2-CG2 3.98Å; Y65-L202 HydrophobicContact CD1-CD1 4.03Å; Y65-L202 HydrophobicContact CD1-CD2 4.15Å; Y65-L202 HydrophobicContact CE1-CD1 4.04Å; Y65-L202 HydrophobicContact CG-CD2 4.25Å
66T83.7Confident72.3Confident76 Ų7673.9 Ų73.947%0.46640%0.396SS..EExtended strand (participates in β ladder)trans-96.7126.8173.4-53.20000108.9N45 F46N45-T66 HydrophobicContact CB-CG2 4.41Å; F46-T66 WeakPolarHBondContact O-CA 3.4Å
67I85.9Confident74.3Confident1 Ų165 Ų651%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-128.2156.1-177.959.9171.2000110.5F46 I48 L70 I201 L202 D205F46-I67 HydrophobicContact CD1-CD1 4.08Å; F46-I67 HydrophobicContact CD1-CG1 3.93Å; F46-I67 HydrophobicContact CE1-CD1 4.46Å; F46-I67 PolarHBondContact O-N 2.89Å; I48-I67 HydrophobicContact CD1-CD1 4.48Å; I48-I67 HydrophobicContact CD1-CG2 4.36Å; I48-I67 HydrophobicContact CG2-CD1 3.62Å; I48-I67 HydrophobicContact CG2-CG1 4.27Å; I67-L70 HydrophobicContact CD1-CD2 3.4Å; I67-L70 VanDerWaalsContact CD1-CD2 3.4Å; I67-L70 HydrophobicContact CD1-CG 3.7Å; I67-I201 HydrophobicContact CD1-CG2 4.01Å; I67-I201 HydrophobicContact CG2-CG2 4.38Å; I67-L202 HydrophobicContact CG2-CD2 4.12Å; I67-D205 HydrophobicContact CB-CB 4.42Å; I67-D205 HydrophobicContact CG2-CB 4.37Å
68C81.1Confident77Confident68 Ų6864.1 Ų64.146%0.45934%0.337SS..SBendtrans-108.5-23.9174.4-61.90000112.4D205 Q209C68-D205 WeakPolarHBondContact CA-OD1 3.5Å; C68-D205 PolarHBondContact N-OD1 3.42Å; C68-Q209 HydrophobicContact CB-CG 4.48Å
69F84.7Confident79Confident59 Ų5956.1 Ų56.126%0.25930%0.295SS..  trans-134.6144.7-178.2-54.3-80.2000111.2F204 D205 Q208 Q209F69-F204 HydrophobicContact CB-CD1 4.49Å; F69-F204 HydrophobicContact CB-CE1 4.19Å; F69-D205 PolarHBondContact N-OD1 2.92Å; F69-Q208 HydrophobicContact CB-CB 4.04Å; F69-Q208 HydrophobicContact CB-CG 4.08Å; F69-Q208 HydrophobicContact CD1-CB 4.39Å; F69-Q208 HydrophobicContact CD1-CG 3.61Å; F69-Q208 HydrophobicContact CD2-CB 3.73Å; F69-Q208 HydrophobicContact CD2-CG 3.75Å; F69-Q208 HydrophobicContact CE1-CG 3.91Å; F69-Q208 HydrophobicContact CE2-CB 4.29Å; F69-Q208 HydrophobicContact CE2-CG 4.05Å; F69-Q208 HydrophobicContact CG-CB 3.79Å; F69-Q208 HydrophobicContact CG-CG 3.52Å; F69-Q208 HydrophobicContact CZ-CG 4.12Å; F69-Q209 HydrophobicContact CD2-CG 3.85Å; F69-Q209 HydrophobicContact CE2-CB 4.46Å; F69-Q209 HydrophobicContact CE2-CG 3.63Å
70L85.4Confident81Confident5 Ų549.9 Ų49.93%0.02627%0.268CS..  trans-113.1150171.9-82.7169.9000110.2L42 F46 I67 W97 I201 F204L42-L70 HydrophobicContact CD1-CB 4.04Å; L42-L70 HydrophobicContact CD1-CD1 3.96Å; L42-L70 HydrophobicContact CD1-CG 3.7Å; L42-L70 HydrophobicContact CD2-CD1 3.75Å; L42-L70 HydrophobicContact CD2-CG 4.42Å; L42-L70 HydrophobicContact CG-CD1 4.43Å; F46-L70 HydrophobicContact CE1-CD1 4.31Å; I67-L70 HydrophobicContact CD1-CD2 3.4Å; I67-L70 VanDerWaalsContact CD1-CD2 3.4Å; I67-L70 HydrophobicContact CD1-CG 3.7Å; L70-W97 HydrophobicContact CD1-CD2 3.93Å; L70-W97 HydrophobicContact CD1-CE3 3.92Å; L70-W97 HydrophobicContact CD1-CH2 4.16Å; L70-W97 HydrophobicContact CD1-CZ2 4.2Å; L70-W97 HydrophobicContact CD1-CZ3 3.99Å; L70-W97 HydrophobicContact CD2-CD2 4.29Å; L70-W97 HydrophobicContact CD2-CG 4.14Å; L70-I201 HydrophobicContact CD2-CD1 4.43Å; L70-I201 HydrophobicContact CD2-CG1 4.45Å; L70-I201 HydrophobicContact CD2-CG2 3.93Å; L70-F204 VanDerWaalsContact C-CE1 3.42Å; L70-F204 WeakPolarHBondContact O-CE1 3.38Å
71P85.9Confident82.8Confident9 Ų944.8 Ų44.86%0.05825%0.245CC..PPolyproline II helixtrans-52139.4171.2-25.934.4000111.4W97 I201 F204P71-W97 PolarHBondContact O-NE1 3.13Å; P71-I201 HydrophobicContact CG-CB 4.49Å; P71-I201 HydrophobicContact CG-CG1 3.88Å; P71-F204 HydrophobicContact CG-CB 4.22Å; P71-F204 HydrophobicContact CG-CD1 4.27Å; P71-F204 HydrophobicContact CG-CG 4.21Å
72P88.9Confident84.4Confident21 Ų2144.5 Ų44.514%0.13624%0.239CC..PPolyproline II helixtrans-67.7153.7-173.328.7-35.4000111.5R37 I38 Y39R37-P72 HydrophobicContact CB-CB 4.14Å; R37-P72 HydrophobicContact CB-CG 4.31Å; I38-P72 CarbonylContact O-C 3.51Å; I38-P72 WeakPolarHBondContact O-CA 3.25Å; I38-P72 WeakPolarHBondContact O-CB 3.22Å; Y39-P72 HydrophobicContact CD1-CB 4.23Å; Y39-P72 HydrophobicContact CD2-CB 4.47Å; Y39-P72 HydrophobicContact CE1-CB 4.28Å; Y39-P72 HydrophobicContact CE1-CG 4.24Å; Y39-P72 HydrophobicContact CE2-CB 4.44Å; Y39-P72 HydrophobicContact CG-CB 4.34Å
73L89.1Confident85.5Confident0 Ų043.3 Ų43.30%023%0.226CC..EExtended strand (participates in β ladder)trans-77.3136.1163.2-58.1179.5000108.4R37 I38 L40 L93 S94 W97 L98 L106 L130 T134R37-L73 WeakPolarHBondContact CA-O 3.34Å; I38-L73 HydrophobicContact CB-CB 4.4Å; I38-L73 PolarHBondContact N-O 3.47Å; I38-L73 PolarHBondContact O-N 3.31Å; L40-L73 HydrophobicContact CD1-CD1 4.26Å; L40-L73 HydrophobicContact CD1-CG 4.14Å; L73-L93 HydrophobicContact CB-CD1 4.28Å; L73-S94 WeakPolarHBondContact CA-O 3.37Å; L73-W97 HydrophobicContact CD2-CZ2 3.93Å; L73-W97 HydrophobicContact CG-CZ2 4.34Å; L73-L98 HydrophobicContact CD1-CD1 4.06Å; L73-L98 HydrophobicContact CD2-CD1 3.66Å; L73-L98 HydrophobicContact CD2-CG 4.34Å; L73-L106 HydrophobicContact CD1-CD1 4.33Å; L73-L130 HydrophobicContact CD1-CD2 4.45Å; L73-T134 HydrophobicContact CD1-CG2 4.46Å
74V90.9Very high86Confident28 Ų2837.7 Ų37.717%0.1720%0.202CC..EExtended strand (participates in β ladder)trans-106.7116.1178.4-172.60000108.6E35 T36 R37 S94E35-V74 HydrophobicContact CG-CG1 3.69Å; T36-V74 WeakPolarHBondContact O-CA 3.27Å; R37-V74 HydrophobicContact CG-CG2 4.46Å; V74-S94 WeakPolarHBondContact CB-OG 3.32Å; V74-S94 PolarHBondContact N-O 3.38Å; V74-S94 PolarHBondContact O-N 3.17Å
75L90Very high86Confident1 Ų136.3 Ų36.31%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-104.4110.6174.4179.268.3000108.3T36 I38 F91 L93 W126 L130T36-L75 PolarHBondContact N-O 3.19Å; T36-L75 PolarHBondContact O-N 2.98Å; I38-L75 HydrophobicContact CD1-CB 4.13Å; L75-F91 HydrophobicContact CD1-CB 3.9Å; L75-F91 HydrophobicContact CD1-CD2 3.66Å; L75-F91 HydrophobicContact CD1-CG 4.07Å; L75-L93 HydrophobicContact CB-CD1 4.3Å; L75-L93 HydrophobicContact CD1-CD1 4.26Å; L75-W126 HydrophobicContact CD2-CE3 4.27Å; L75-L130 HydrophobicContact CD2-CD1 4.24Å
76N89.3Confident86.1Confident57 Ų5737 Ų3731%0.30522%0.219SC..EExtended strand (participates in β ladder)trans-97.1134.1168.1-60.4-55.2000108.5E35 F91 T92E35-N76 WeakPolarHBondContact CB-OD1 3.38Å; E35-N76 WeakPolarHBondContact CG-OD1 3.24Å; N76-F91 CarbonylContact O-C 3.52Å; N76-F91 WeakPolarHBondContact O-CA 3.47Å; N76-F91 WeakPolarHBondContact O-CB 3.3Å; N76-T92 WeakPolarHBondContact CB-OG1 3.47Å; N76-T92 PolarHBondContact N-O 3.46Å; N76-T92 PolarHBondContact O-N 3.25Å
77F89.8Confident86.1Confident6 Ų634.4 Ų34.43%0.02620%0.204CC..EExtended strand (participates in β ladder)trans-140.3151.7178.968-90.3000112.1L13 F25 G33 G34 L79 S90 F91 L123L13-F77 HydrophobicContact CD2-CE2 3.93Å; L13-F77 HydrophobicContact CD2-CZ 3.9Å; F25-F77 AromaticContact CE2-CE1 3.99Å; F25-F77 HydrophobicContact CE2-CE1 3.99Å; F25-F77 AromaticContact CE2-CZ 3.81Å; F25-F77 HydrophobicContact CE2-CZ 3.81Å; F25-F77 HydrophobicContact CZ-CZ 4.32Å; G33-F77 CarbonylContact C-O 3.55Å; G33-F77 WeakPolarHBondContact CA-O 3.35Å; G34-F77 PolarHBondContact N-O 3.11Å; G34-F77 WeakPolarHBondContact O-CD1 3.41Å; G34-F77 PolarHBondContact O-N 3.07Å; F77-L79 HydrophobicContact CD2-CD2 4.03Å; F77-L79 HydrophobicContact CD2-CG 4.18Å; F77-L79 HydrophobicContact CE2-CD1 4.44Å; F77-L79 HydrophobicContact CE2-CD2 4.29Å; F77-L79 HydrophobicContact CE2-CG 4.19Å; F77-S90 CarbonylContact C-O 3.57Å; F77-S90 VanDerWaalsContact CA-O 3.25Å; F77-S90 WeakPolarHBondContact CA-O 3.35Å; F77-F91 HydrophobicContact CB-CB 4.04Å; F77-L123 HydrophobicContact CD1-CD2 4.19Å; F77-L123 HydrophobicContact CD2-CD1 4Å; F77-L123 HydrophobicContact CD2-CD2 3.85Å; F77-L123 HydrophobicContact CE1-CD1 4.31Å; F77-L123 HydrophobicContact CE1-CD2 4.38Å; F77-L123 HydrophobicContact CE2-CD1 3.39Å; F77-L123 HydrophobicContact CE2-CD2 4.07Å; F77-L123 HydrophobicContact CE2-CG 4.39Å; F77-L123 HydrophobicContact CG-CD2 3.92Å; F77-L123 HydrophobicContact CZ-CD1 3.57Å; F77-L123 HydrophobicContact CZ-CD2 4.33Å
78E88.5Confident86.2Confident109 Ų10936.9 Ų36.951%0.50922%0.22SC..EExtended strand (participates in β ladder)trans-128.8136.9170.8-61.6-177.4173.100108.4V31 P80 S90V31-E78 HydrophobicContact CG1-CG 4.4Å; E78-P80 WeakPolarHBondContact O-CD 3.38Å; E78-S90 PolarHBondContact N-O 2.91Å; E78-S90 PolarHBondContact O-N 3.44Å; E78-S90 PolarHBondContact O-OG 3.02Å
79L87.8Confident86.5Confident12 Ų1233.8 Ų33.86%0.06320%0.2CC..  trans-96.4117.8-177.8-57.9176.9000109.3Q9 L13 Q32 F77 Y83 P89 L123Q9-L79 HydrophobicContact CB-CD1 4.14Å; Q9-L79 HydrophobicContact CG-CB 4.49Å; Q9-L79 HydrophobicContact CG-CD1 4Å; L13-L79 HydrophobicContact CD1-CD1 4.14Å; L13-L79 HydrophobicContact CD2-CD1 4.32Å; L13-L79 HydrophobicContact CG-CD1 4.25Å; Q32-L79 HydrophobicContact CB-CB 4.34Å; Q32-L79 WeakPolarHBondContact O-CB 3.46Å; Q32-L79 PolarHBondContact O-N 3.49Å; F77-L79 HydrophobicContact CD2-CD2 4.03Å; F77-L79 HydrophobicContact CD2-CG 4.18Å; F77-L79 HydrophobicContact CE2-CD1 4.44Å; F77-L79 HydrophobicContact CE2-CD2 4.29Å; F77-L79 HydrophobicContact CE2-CG 4.19Å; L79-Y83 HydrophobicContact CD2-CD1 3.9Å; L79-Y83 HydrophobicContact CD2-CE1 3.87Å; L79-Y83 HydrophobicContact CD2-CG 4.34Å; L79-P89 HydrophobicContact CD2-CB 3.92Å; L79-P89 HydrophobicContact CD2-CG 3.9Å; L79-L123 HydrophobicContact CD2-CD1 4.23Å
80P87.3Confident86.6Confident27 Ų2734.1 Ų34.118%0.17521%0.209CC..  trans-63.7157.7172.5-23.434.4000112.4Q9 E78 D82 Y83 S87 P88Q9-P80 PolarHBondContact NE2-O 3.18Å; E78-P80 WeakPolarHBondContact O-CD 3.38Å; P80-D82 WeakPolarHBondContact CB-OD1 3.42Å; P80-D82 PolarHBondContact O-N 3.25Å; P80-Y83 PolarHBondContact O-N 3.04Å; P80-S87 VanDerWaalsContact CB-OG 3.26Å; P80-S87 WeakPolarHBondContact CB-OG 2.96Å; P80-S87 WeakPolarHBondContact CG-OG 3.46Å; P80-P88 WeakPolarHBondContact CG-O 3.35Å
81P84Confident86.9Confident71 Ų7134.2 Ų34.246%0.46121%0.209SC..THydrogen-bonded Turntrans-66.6-8.3-179.726.6-35.2000115.2M1M1-P81 HydrophobicContact CE-CB 4.14Å; M1-P81 HydrophobicContact CG-CB 3.59Å; M1-P81 HydrophobicContact SD-CB 4.18Å
82D84.6Confident87.1Confident60 Ų6036.5 Ų36.532%0.32122%0.224SC..THydrogen-bonded Turntrans-1178.7-178.363.5-44.6000113.2P80 S85 S86 S87P80-D82 WeakPolarHBondContact CB-OD1 3.42Å; P80-D82 PolarHBondContact O-N 3.25Å; D82-S85 PolarHBondContact O-N 3.02Å; D82-S86 PolarHBondContact O-N 2.81Å; D82-S86 WeakPolarHBondContact OD2-CB 3.47Å; D82-S87 PolarHBondContact OD1-OG 3.01Å; D82-S87 VanDerWaalsContact OD2-CB 3.28Å; D82-S87 WeakPolarHBondContact OD2-CB 3.31Å; D82-S87 PolarHBondContact OD2-OG 3.14Å; D82-S87 VanDerWaalsContact OD2-OG 3.04Å
83Y83.3Confident87.1Confident0 Ų035.5 Ų35.50%022%0.217CC..THydrogen-bonded Turntrans-81.2140.4167.2173.2-88.5000110.3D5 Q9 E12 L79 P80 S87 P89 W114 V121 V122D5-Y83 WeakPolarHBondContact CB-O 3.26Å; Q9-Y83 HydrophobicContact CG-CD1 3.75Å; Q9-Y83 HydrophobicContact CG-CE1 4.36Å; Q9-Y83 PolarHBondContact NE2-O 3.27Å; E12-Y83 PolarHBondContact OE1-OH 3.05Å; E12-Y83 WeakPolarHBondContact OE2-CE1 3.4Å; E12-Y83 PolarHBondContact OE2-OH 3.26Å; L79-Y83 HydrophobicContact CD2-CD1 3.9Å; L79-Y83 HydrophobicContact CD2-CE1 3.87Å; L79-Y83 HydrophobicContact CD2-CG 4.34Å; P80-Y83 PolarHBondContact O-N 3.04Å; Y83-S87 WeakPolarHBondContact CD2-O 3.32Å; Y83-P89 HydrophobicContact CD2-CG 3.79Å; Y83-P89 VanDerWaalsContact CE2-CD 3.43Å; Y83-P89 HydrophobicContact CE2-CG 3.4Å; Y83-W114 AromaticContact CD2-CH2 3.51Å; Y83-W114 HydrophobicContact CD2-CH2 3.51Å; Y83-W114 HydrophobicContact CD2-CZ2 4.2Å; Y83-W114 AromaticContact CD2-CZ3 3.8Å; Y83-W114 HydrophobicContact CD2-CZ3 3.8Å; Y83-W114 AromaticContact CE2-CE3 3.99Å; Y83-W114 HydrophobicContact CE2-CE3 3.99Å; Y83-W114 AromaticContact CE2-CH2 3.43Å; Y83-W114 HydrophobicContact CE2-CH2 3.43Å; Y83-W114 VanDerWaalsContact CE2-CH2 3.43Å; Y83-W114 HydrophobicContact CE2-CZ2 4.4Å; Y83-W114 AromaticContact CE2-CZ3 3.19Å; Y83-W114 HydrophobicContact CE2-CZ3 3.19Å; Y83-V121 HydrophobicContact CE1-CG1 4.49Å; Y83-V121 WeakPolarHBondContact OH-CA 3.29Å; Y83-V122 HydrophobicContact CE2-CG2 4.11Å; Y83-V122 WeakPolarHBondContact OH-CG2 3.38Å; Y83-V122 PolarHBondContact OH-N 2.82Å
84P82.4Confident87Confident8 Ų836.6 Ų36.65%0.05223%0.225CC..THydrogen-bonded Turncis-91.634.534.5-35000115.1D5 A8 W114 G119 S120 V121D5-P84 WeakPolarHBondContact OD1-CD 3.36Å; A8-P84 HydrophobicContact CB-CG 4.3Å; P84-W114 HydrophobicContact CB-CH2 3.81Å; P84-W114 HydrophobicContact CB-CZ3 4.22Å; P84-W114 WeakPolarHBondContact O-CH2 3.22Å; P84-W114 WeakPolarHBondContact O-CZ2 3.46Å; P84-G119 VanDerWaalsContact O-CA 3.24Å; P84-G119 WeakPolarHBondContact O-CA 3.35Å; P84-G119 PolarHBondContact O-N 3.08Å; P84-S120 WeakPolarHBondContact CB-O 3.5Å; P84-V121 HydrophobicContact CG-CG1 4.28Å
85S82.8Confident86.8Confident69 Ų6935.3 Ų35.348%0.48322%0.217SC..THydrogen-bonded Turntrans-71.5-35-171-690000115.3D5 D82D5-S85 VanDerWaalsContact OD1-CB 3.23Å; D5-S85 WeakPolarHBondContact OD1-CB 3.37Å; D5-S85 PolarHBondContact OD1-N 3.27Å; D5-S85 PolarHBondContact OD1-OG 3.02Å; D82-S85 PolarHBondContact O-N 3.02Å
86S81.9Confident86.4Confident89 Ų8938.4 Ų38.462%0.62223%0.231SC*.THydrogen-bonded Turntrans-128.1-44.6-168.4-63.50000114.8D82D82-S86 PolarHBondContact O-N 2.81Å; D82-S86 WeakPolarHBondContact OD2-CB 3.47Å
87S84.9Confident86.2Confident22 Ų2235.8 Ų35.815%0.15422%0.216CC..  trans-119.5148.3-173.865.30000112.1P80 D82 Y83 W114P80-S87 VanDerWaalsContact CB-OG 3.26Å; P80-S87 WeakPolarHBondContact CB-OG 2.96Å; P80-S87 WeakPolarHBondContact CG-OG 3.46Å; D82-S87 PolarHBondContact OD1-OG 3.01Å; D82-S87 VanDerWaalsContact OD2-CB 3.28Å; D82-S87 WeakPolarHBondContact OD2-CB 3.31Å; D82-S87 PolarHBondContact OD2-OG 3.14Å; D82-S87 VanDerWaalsContact OD2-OG 3.04Å; Y83-S87 WeakPolarHBondContact CD2-O 3.32Å; S87-W114 VanDerWaalsContact O-CZ2 3.26Å; S87-W114 WeakPolarHBondContact O-CZ2 3.19Å
88P87.7Confident85.9Confident53 Ų5335.5 Ų35.534%0.34422%0.215SC..PPolyproline II helixtrans-73162.1172.626.8-30.9000112.5P80 S90 W114P80-P88 WeakPolarHBondContact CG-O 3.35Å; P88-S90 PolarHBondContact O-N 3.1Å; P88-W114 HydrophobicContact CB-CD2 4.03Å; P88-W114 HydrophobicContact CB-CG 3.77Å
89P87.9Confident85.7Confident4 Ų431 Ų313%0.02620%0.195CC..PPolyproline II helixtrans-58135.9165.4-21.235.4000110.8L79 Y83 V122 L123 W126L79-P89 HydrophobicContact CD2-CB 3.92Å; L79-P89 HydrophobicContact CD2-CG 3.9Å; Y83-P89 HydrophobicContact CD2-CG 3.79Å; Y83-P89 VanDerWaalsContact CE2-CD 3.43Å; Y83-P89 HydrophobicContact CE2-CG 3.4Å; P89-V122 HydrophobicContact CG-CG2 4.33Å; P89-L123 HydrophobicContact CG-CD2 4.26Å; P89-W126 HydrophobicContact CB-CH2 4.03Å; P89-W126 HydrophobicContact CB-CZ3 4Å; P89-W126 HydrophobicContact CG-CH2 3.97Å; P89-W126 HydrophobicContact CG-CZ3 4.13Å
90S87.3Confident85.4Confident65 Ų6531.2 Ų31.246%0.45520%0.198SC..EExtended strand (participates in β ladder)trans-79.3126.3166.149.80000108.6F77 E78 P88F77-S90 CarbonylContact C-O 3.57Å; F77-S90 VanDerWaalsContact CA-O 3.25Å; F77-S90 WeakPolarHBondContact CA-O 3.35Å; E78-S90 PolarHBondContact N-O 2.91Å; E78-S90 PolarHBondContact O-N 3.44Å; E78-S90 PolarHBondContact O-OG 3.02Å; P88-S90 PolarHBondContact O-N 3.1Å
91F91.2Very high85.2Confident7 Ų732.8 Ų32.83%0.03121%0.207CC..EExtended strand (participates in β ladder)trans-138.9159.5-175.571.8-87.9000113.3L75 N76 F77 C107 L110 D111 W126 R186L75-F91 HydrophobicContact CD1-CB 3.9Å; L75-F91 HydrophobicContact CD1-CD2 3.66Å; L75-F91 HydrophobicContact CD1-CG 4.07Å; N76-F91 CarbonylContact O-C 3.52Å; N76-F91 WeakPolarHBondContact O-CA 3.47Å; N76-F91 WeakPolarHBondContact O-CB 3.3Å; F77-F91 HydrophobicContact CB-CB 4.04Å; F91-C107 HydrophobicContact CE2-CB 4.05Å; F91-C107 HydrophobicContact CZ-CB 4.12Å; F91-L110 HydrophobicContact CD2-CD1 4.33Å; F91-L110 HydrophobicContact CE1-CB 4.44Å; F91-L110 HydrophobicContact CE2-CD1 3.76Å; F91-L110 HydrophobicContact CZ-CB 3.97Å; F91-L110 HydrophobicContact CZ-CD1 4.05Å; F91-D111 WeakPolarHBondContact CE1-OD1 3.4Å; F91-W126 HydrophobicContact CB-CZ3 4.22Å; F91-W126 AromaticContact CD1-CH2 3.43Å; F91-W126 HydrophobicContact CD1-CH2 3.43Å; F91-W126 VanDerWaalsContact CD1-CH2 3.43Å; F91-W126 HydrophobicContact CD1-CZ2 4.49Å; F91-W126 AromaticContact CD1-CZ3 3.56Å; F91-W126 HydrophobicContact CD1-CZ3 3.56Å; F91-W126 AromaticContact CE1-CH2 3.63Å; F91-W126 HydrophobicContact CE1-CH2 3.63Å; F91-W126 HydrophobicContact CE1-CZ2 4.32Å; F91-W126 HydrophobicContact CE1-CZ3 4.09Å; F91-W126 HydrophobicContact CG-CH2 4.28Å; F91-W126 AromaticContact CG-CZ3 3.95Å; F91-W126 HydrophobicContact CG-CZ3 3.95Å; F91-R186 VanDerWaalsContact CE1-NH1 3.28Å; F91-R186 VanDerWaalsContact O-CD 3.27Å; F91-R186 WeakPolarHBondContact O-CD 3.1Å; F91-R186 WeakPolarHBondContact O-CG 3.35Å
92T89.3Confident85.3Confident58 Ų5831.4 Ų31.436%0.35619%0.194SC..EExtended strand (participates in β ladder)trans-128.4132.7167.3630000108.8N76N76-T92 WeakPolarHBondContact CB-OG1 3.47Å; N76-T92 PolarHBondContact N-O 3.46Å; N76-T92 PolarHBondContact O-N 3.25Å
93L89.6Confident85.4Confident0 Ų028.6 Ų28.60%018%0.179CC..EExtended strand (participates in β ladder)trans-111.3118.8178.3-17767.8000109.1L73 L75 L103 L106 L130 R186 V188L73-L93 HydrophobicContact CB-CD1 4.28Å; L75-L93 HydrophobicContact CB-CD1 4.3Å; L75-L93 HydrophobicContact CD1-CD1 4.26Å; L93-L103 HydrophobicContact CD2-CD2 4.03Å; L93-L103 HydrophobicContact CG-CD2 4.07Å; L93-L106 HydrophobicContact CD2-CB 3.7Å; L93-L106 HydrophobicContact CD2-CD1 3.97Å; L93-L130 HydrophobicContact CD1-CD1 4.3Å; L93-L130 HydrophobicContact CD2-CD2 4.41Å; L93-R186 PolarHBondContact N-O 3.21Å; L93-V188 PolarHBondContact O-N 3.33Å
94S87.2Confident85.6Confident23 Ų2328.9 Ų28.916%0.16118%0.181CC..EExtended strand (participates in β ladder)trans-114.7144174.675.30000112.3L73 V74 V188L73-S94 WeakPolarHBondContact CA-O 3.37Å; V74-S94 WeakPolarHBondContact CB-OG 3.32Å; V74-S94 PolarHBondContact N-O 3.38Å; V74-S94 PolarHBondContact O-N 3.17Å; S94-V188 WeakPolarHBondContact CA-O 3.28Å; S94-V188 VanDerWaalsContact CB-O 3.31Å; S94-V188 WeakPolarHBondContact CB-O 3.41Å
95G85.7Confident85.9Confident1 Ų130 Ų301%0.0119%0.191CC..  trans-155.3129.4179.600000110.2V188G95-V188 PolarHBondContact N-O 3.46Å; G95-V188 VanDerWaalsContact N-O 3.15Å
96K82.6Confident86.2Confident66 Ų6626.7 Ų26.729%0.28717%0.168SC..SBendtrans-74.1-41.5-175.8-61.4-170.6168.3-167.40112.1Q189 V191 L197 E200K96-Q189 PolarHBondContact O-NE2 3.03Å; K96-V191 HydrophobicContact CB-CG2 3.86Å; K96-V191 HydrophobicContact CG-CG2 4.45Å; K96-V191 WeakPolarHBondContact O-CG2 3.22Å; K96-L197 HydrophobicContact CB-CD1 3.74Å; K96-E200 VanDerWaalsContact CD-OE2 3.3Å; K96-E200 WeakPolarHBondContact CD-OE2 3.27Å; K96-E200 WeakPolarHBondContact CE-OE2 3.36Å; K96-E200 IonicContact NZ-OE1 2.68Å; K96-E200 IonicContact NZ-OE2 3.05Å; K96-E200 PolarHBondContact NZ-OE2 3.29Å
97W84.2Confident86.5Confident1 Ų122.5 Ų22.50%0.00414%0.139CC..SBendtrans-96.9-6.5-171.256.3-89.3000114.1L40 L70 P71 L73 L135 I140 F144 L146 L197 I201L40-W97 HydrophobicContact CD1-CH2 3.79Å; L40-W97 HydrophobicContact CD1-CZ2 3.25Å; L70-W97 HydrophobicContact CD1-CD2 3.93Å; L70-W97 HydrophobicContact CD1-CE3 3.92Å; L70-W97 HydrophobicContact CD1-CH2 4.16Å; L70-W97 HydrophobicContact CD1-CZ2 4.2Å; L70-W97 HydrophobicContact CD1-CZ3 3.99Å; L70-W97 HydrophobicContact CD2-CD2 4.29Å; L70-W97 HydrophobicContact CD2-CG 4.14Å; P71-W97 PolarHBondContact O-NE1 3.13Å; L73-W97 HydrophobicContact CD2-CZ2 3.93Å; L73-W97 HydrophobicContact CG-CZ2 4.34Å; W97-L135 HydrophobicContact CH2-CD2 4.39Å; W97-I140 HydrophobicContact CZ3-CD1 3.98Å; W97-F144 AromaticContact CE3-CE1 3.78Å; W97-F144 HydrophobicContact CE3-CE1 3.78Å; W97-F144 HydrophobicContact CE3-CZ 4.23Å; W97-F144 HydrophobicContact CZ3-CE1 4.29Å; W97-F144 HydrophobicContact CZ3-CZ 4.45Å; W97-L146 HydrophobicContact CB-CD2 3.86Å; W97-L197 HydrophobicContact CB-CD1 4.42Å; W97-I201 HydrophobicContact CB-CD1 3.99Å
98L84.4Confident86.7Confident0 Ų027.1 Ų27.10%016%0.156CC..SBendtrans-93143.8173.7-71.6178.4000111L73 Q102 L103 L106 L138 I140 Q189L73-L98 HydrophobicContact CD1-CD1 4.06Å; L73-L98 HydrophobicContact CD2-CD1 3.66Å; L73-L98 HydrophobicContact CD2-CG 4.34Å; L98-Q102 HydrophobicContact CB-CB 4.41Å; L98-Q102 HydrophobicContact CD2-CB 4.26Å; L98-L103 HydrophobicContact CB-CD1 4.44Å; L98-L103 HydrophobicContact CB-CD2 3.93Å; L98-L103 HydrophobicContact CB-CG 3.82Å; L98-L103 HydrophobicContact CD1-CD2 3.75Å; L98-L103 HydrophobicContact CD1-CG 4.42Å; L98-L103 HydrophobicContact CG-CD2 4.49Å; L98-L106 HydrophobicContact CD1-CD1 3.77Å; L98-L138 HydrophobicContact CD1-CD1 4.19Å; L98-L138 HydrophobicContact CD2-CD1 3.76Å; L98-I140 HydrophobicContact CD2-CD1 3.7Å; L98-Q189 PolarHBondContact O-NE2 3.47Å; L98-Q189 VanDerWaalsContact O-NE2 3.1Å
99S83.3Confident86.8Confident14 Ų1426.2 Ų26.210%0.09815%0.147CC..  trans-70.2157.8172.972.10000111.2T101 Q102 L103S99-T101 PolarHBondContact O-N 2.99Å; S99-T101 PolarHBondContact OG-OG1 3.09Å; S99-Q102 PolarHBondContact O-N 2.88Å; S99-Q102 VanDerWaalsContact O-N 3.13Å; S99-Q102 VanDerWaalsContact OG-CG 3.29Å; S99-Q102 WeakPolarHBondContact OG-CG 3.41Å; S99-Q102 PolarHBondContact OG-N 3.39Å; S99-Q102 VanDerWaalsContact OG-N 3.16Å; S99-Q102 PolarHBondContact OG-OE1 3.16Å; S99-L103 PolarHBondContact O-N 3.19Å
100P81.9Confident86.8Confident17 Ų1726 Ų2611%0.1115%0.146CC..Hα-helixtrans-60.4-29.5176.1-22.434000112.8S104 V183 Q189P100-S104 VanDerWaalsContact O-CB 3.3Å; P100-S104 WeakPolarHBondContact O-CB 3.45Å; P100-S104 PolarHBondContact O-N 3.35Å; P100-S104 PolarHBondContact O-OG 3.4Å; P100-V183 HydrophobicContact CB-CG1 3.53Å; P100-V183 HydrophobicContact CB-CG2 4.47Å; P100-Q189 HydrophobicContact CG-CB 4.06Å
101T83.1Confident86.9Confident60 Ų6024.9 Ų24.937%0.36814%0.135SC..Hα-helixtrans-70.2-41.8176.354.10000112.1S99 S104 A105 E181S99-T101 PolarHBondContact O-N 2.99Å; S99-T101 PolarHBondContact OG-OG1 3.09Å; T101-S104 PolarHBondContact O-N 3.38Å; T101-A105 PolarHBondContact O-N 2.81Å; T101-E181 WeakPolarHBondContact CG2-OE2 3.5Å
102Q86.5Confident86.8Confident43 Ų4328.1 Ų28.120%0.20115%0.152CC..Hα-helixtrans-65.4-45.5173.8-73170.3-36.400111.3L98 S99 S104 A105 L106 L138L98-Q102 HydrophobicContact CB-CB 4.41Å; L98-Q102 HydrophobicContact CD2-CB 4.26Å; S99-Q102 PolarHBondContact O-N 2.88Å; S99-Q102 VanDerWaalsContact O-N 3.13Å; S99-Q102 VanDerWaalsContact OG-CG 3.29Å; S99-Q102 WeakPolarHBondContact OG-CG 3.41Å; S99-Q102 PolarHBondContact OG-N 3.39Å; S99-Q102 VanDerWaalsContact OG-N 3.16Å; S99-Q102 PolarHBondContact OG-OE1 3.16Å; Q102-S104 VanDerWaalsContact C-N 3.31Å; Q102-S104 PolarHBondContact O-N 2.92Å; Q102-A105 WeakPolarHBondContact O-CB 3.39Å; Q102-A105 PolarHBondContact O-N 2.86Å; Q102-A105 VanDerWaalsContact O-N 3.16Å; Q102-L106 WeakPolarHBondContact O-CG 3.1Å; Q102-L106 PolarHBondContact O-N 3.43Å; Q102-L138 HydrophobicContact CB-CD1 4.06Å; Q102-L138 HydrophobicContact CB-CD2 4.18Å; Q102-L138 HydrophobicContact CG-CD1 4.46Å; Q102-L138 HydrophobicContact CG-CD2 4.38Å
103L86.5Confident86.7Confident0 Ų026.6 Ų26.60%014%0.142CC..Hα-helixtrans-60.7-39.8175.1-71.3172000111.8L93 L98 S99 A105 L106 C107 A187 Q189L93-L103 HydrophobicContact CD2-CD2 4.03Å; L93-L103 HydrophobicContact CG-CD2 4.07Å; L98-L103 HydrophobicContact CB-CD1 4.44Å; L98-L103 HydrophobicContact CB-CD2 3.93Å; L98-L103 HydrophobicContact CB-CG 3.82Å; L98-L103 HydrophobicContact CD1-CD2 3.75Å; L98-L103 HydrophobicContact CD1-CG 4.42Å; L98-L103 HydrophobicContact CG-CD2 4.49Å; S99-L103 PolarHBondContact O-N 3.19Å; L103-A105 VanDerWaalsContact C-N 3.35Å; L103-L106 PolarHBondContact O-N 3.36Å; L103-C107 PolarHBondContact O-N 3.01Å; L103-C107 PolarHBondContact O-SG 3.39Å; L103-A187 HydrophobicContact CB-CB 3.6Å; L103-Q189 HydrophobicContact CD1-CB 4.44Å
104S87.3Confident86.6Confident6 Ų626.9 Ų26.94%0.04214%0.143CC..Hα-helixtrans-65.1-37.5175.1-61.40000112.2P100 T101 Q102 C107 K108 D184P100-S104 VanDerWaalsContact O-CB 3.3Å; P100-S104 WeakPolarHBondContact O-CB 3.45Å; P100-S104 PolarHBondContact O-N 3.35Å; P100-S104 PolarHBondContact O-OG 3.4Å; T101-S104 PolarHBondContact O-N 3.38Å; Q102-S104 VanDerWaalsContact C-N 3.31Å; Q102-S104 PolarHBondContact O-N 2.92Å; S104-C107 PolarHBondContact O-N 3.35Å; S104-K108 WeakPolarHBondContact O-CG 3.29Å; S104-K108 PolarHBondContact O-N 3.1Å; S104-K108 VanDerWaalsContact O-N 3.08Å; S104-D184 PolarHBondContact OG-N 3.19Å
105A87.9Confident86.6Confident32 Ų3231 Ų3126%0.26416%0.16SC..Hα-helixtrans-64.7-41.2174.700000111.6T101 Q102 L103 K108 H109 L138T101-A105 PolarHBondContact O-N 2.81Å; Q102-A105 WeakPolarHBondContact O-CB 3.39Å; Q102-A105 PolarHBondContact O-N 2.86Å; Q102-A105 VanDerWaalsContact O-N 3.16Å; L103-A105 VanDerWaalsContact C-N 3.35Å; A105-K108 PolarHBondContact O-N 3.09Å; A105-H109 PolarHBondContact O-N 3.48Å; A105-L138 HydrophobicContact CB-CD2 4.3Å
106L89.8Confident86.7Confident0 Ų037.9 Ų37.90%019%0.191CC..Hα-helixtrans-62.4-45.8173.1-66.2177.4000111.6L73 L93 L98 Q102 L103 K108 H109 L110 F129 L130 T134 Y137 L138L73-L106 HydrophobicContact CD1-CD1 4.33Å; L93-L106 HydrophobicContact CD2-CB 3.7Å; L93-L106 HydrophobicContact CD2-CD1 3.97Å; L98-L106 HydrophobicContact CD1-CD1 3.77Å; Q102-L106 WeakPolarHBondContact O-CG 3.1Å; Q102-L106 PolarHBondContact O-N 3.43Å; L103-L106 PolarHBondContact O-N 3.36Å; L106-K108 VanDerWaalsContact C-N 3.32Å; L106-K108 PolarHBondContact O-N 3.24Å; L106-H109 WeakPolarHBondContact O-CB 3.21Å; L106-H109 PolarHBondContact O-N 2.75Å; L106-L110 WeakPolarHBondContact O-CG 3.45Å; L106-L110 PolarHBondContact O-N 2.86Å; L106-F129 HydrophobicContact CD2-CE1 3.93Å; L106-F129 HydrophobicContact CD2-CZ 4.17Å; L106-L130 HydrophobicContact CD1-CD2 4.22Å; L106-L130 HydrophobicContact CD2-CD2 4.5Å; L106-T134 HydrophobicContact CD1-CG2 4.01Å; L106-T134 HydrophobicContact CD2-CG2 4.15Å; L106-Y137 HydrophobicContact CD2-CD1 3.86Å; L106-Y137 HydrophobicContact CD2-CE1 4.32Å; L106-L138 HydrophobicContact CD1-CD1 3.98Å; L106-L138 HydrophobicContact CD2-CD1 4.12Å; L106-L138 HydrophobicContact CD2-CD2 4.13Å; L106-L138 HydrophobicContact CD2-CG 4.02Å; L106-L138 HydrophobicContact CG-CD1 4.07Å; L106-L138 HydrophobicContact CG-CD2 4.21Å; L106-L138 HydrophobicContact CG-CG 4.36Å
107C88.6Confident86.7Confident0 Ų039 Ų390%020%0.198CC..Hα-helixtrans-56.6-45.8177.7-65.20000111.9F91 L103 S104 H109 L110 D111F91-C107 HydrophobicContact CE2-CB 4.05Å; F91-C107 HydrophobicContact CZ-CB 4.12Å; L103-C107 PolarHBondContact O-N 3.01Å; L103-C107 PolarHBondContact O-SG 3.39Å; S104-C107 PolarHBondContact O-N 3.35Å; C107-H109 VanDerWaalsContact C-N 3.29Å; C107-H109 PolarHBondContact O-N 3.3Å; C107-L110 PolarHBondContact O-N 2.91Å; C107-D111 PolarHBondContact O-N 2.89Å
108K88.9Confident86.6Confident119 Ų11946.5 Ų46.552%0.51723%0.226SC..Hα-helixtrans-61.7-36.9175.6-71.3173.9-176.5174.10112.4S104 A105 L106 D111 N112S104-K108 WeakPolarHBondContact O-CG 3.29Å; S104-K108 PolarHBondContact O-N 3.1Å; S104-K108 VanDerWaalsContact O-N 3.08Å; A105-K108 PolarHBondContact O-N 3.09Å; L106-K108 VanDerWaalsContact C-N 3.32Å; L106-K108 PolarHBondContact O-N 3.24Å; K108-D111 PolarHBondContact O-N 3.33Å; K108-N112 VanDerWaalsContact O-CG 3.24Å; K108-N112 PolarHBondContact O-N 3.13Å; K108-N112 VanDerWaalsContact O-N 3.08Å; K108-N112 PolarHBondContact O-ND2 3.03Å; K108-N112 PolarHBondContact O-OD1 3.3Å
109H89.6Confident86.4Confident35 Ų3548.8 Ų48.816%0.16225%0.25CC..Hα-helixtrans-70.1-39.3177.4-167.569000112.2A105 L106 C107 D111 N112 L113 F129 Y137A105-H109 PolarHBondContact O-N 3.48Å; L106-H109 WeakPolarHBondContact O-CB 3.21Å; L106-H109 PolarHBondContact O-N 2.75Å; C107-H109 VanDerWaalsContact C-N 3.29Å; C107-H109 PolarHBondContact O-N 3.3Å; H109-D111 VanDerWaalsContact C-N 3.3Å; H109-D111 PolarHBondContact O-N 3.04Å; H109-N112 WeakPolarHBondContact O-CB 3.27Å; H109-N112 PolarHBondContact O-N 3.36Å; H109-N112 VanDerWaalsContact O-N 3.13Å; H109-L113 WeakPolarHBondContact O-CG 3.2Å; H109-L113 PolarHBondContact O-N 3.12Å; H109-F129 HydrophobicContact CB-CZ 4.48Å; H109-F129 AromaticContact CD2-CD1 3.92Å; H109-F129 AromaticContact CD2-CD2 3.83Å; H109-F129 AromaticContact CD2-CE1 3.44Å; H109-F129 VanDerWaalsContact CD2-CE1 3.44Å; H109-F129 WeakPolarHBondContact CD2-CE1 3.4Å; H109-F129 AromaticContact CD2-CE2 3.34Å; H109-F129 WeakPolarHBondContact CD2-CE2 3.3Å; H109-F129 AromaticContact CD2-CZ 3.13Å; H109-F129 WeakPolarHBondContact CD2-CZ 2.96Å; H109-F129 AromaticContact CG-CZ 3.94Å; H109-F129 AromaticContact NE2-CD2 3.75Å; H109-F129 AromaticContact NE2-CE2 3.4Å; H109-F129 WeakPolarHBondContact NE2-CE2 3.39Å; H109-F129 AromaticContact NE2-CZ 3.73Å; H109-Y137 HydrophobicContact CB-CE1 4.07Å; H109-Y137 HydrophobicContact CB-CE2 4.42Å; H109-Y137 AromaticContact CG-CE2 3.94Å; H109-Y137 AromaticContact CG-CZ 3.85Å; H109-Y137 AromaticContact ND1-CE2 3.61Å; H109-Y137 AromaticContact ND1-CZ 3.84Å
110L88.6Confident86.5Confident0 Ų050.5 Ų50.50%026%0.261CS..Hα-helixtrans-60.9-40.5173.5-63.8176.9000111.6F91 L106 C107 N112 L113 W114 W126 F129 L130F91-L110 HydrophobicContact CD2-CD1 4.33Å; F91-L110 HydrophobicContact CE1-CB 4.44Å; F91-L110 HydrophobicContact CE2-CD1 3.76Å; F91-L110 HydrophobicContact CZ-CB 3.97Å; F91-L110 HydrophobicContact CZ-CD1 4.05Å; L106-L110 WeakPolarHBondContact O-CG 3.45Å; L106-L110 PolarHBondContact O-N 2.86Å; C107-L110 PolarHBondContact O-N 2.91Å; L110-N112 VanDerWaalsContact C-N 3.34Å; L110-N112 PolarHBondContact O-N 2.91Å; L110-L113 HydrophobicContact CD2-CD1 4.42Å; L110-L113 PolarHBondContact O-N 3.1Å; L110-W114 PolarHBondContact O-N 3.36Å; L110-W126 HydrophobicContact CB-CD2 4.22Å; L110-W126 HydrophobicContact CB-CZ2 4.15Å; L110-W126 HydrophobicContact CD2-CB 3.83Å; L110-W126 HydrophobicContact CD2-CD2 4.1Å; L110-W126 HydrophobicContact CD2-CG 3.65Å; L110-W126 WeakPolarHBondContact O-CZ2 3.42Å; L110-W126 PolarHBondContact O-NE1 2.86Å; L110-F129 HydrophobicContact CD2-CD1 4.1Å; L110-L130 HydrophobicContact CD1-CD1 4.18Å; L110-L130 HydrophobicContact CD2-CD1 4.23Å; L110-L130 HydrophobicContact CD2-CD2 4.49Å; L110-L130 HydrophobicContact CD2-CG 4.17Å
111D88.4Confident86.8Confident41 Ų4152.9 Ų52.922%0.21928%0.276CS..Hα-helixtrans-61.1-42.7173.1-65-34.6000111.4F91 C107 K108 H109 W114 E115 R186F91-D111 WeakPolarHBondContact CE1-OD1 3.4Å; C107-D111 PolarHBondContact O-N 2.89Å; K108-D111 PolarHBondContact O-N 3.33Å; H109-D111 VanDerWaalsContact C-N 3.3Å; H109-D111 PolarHBondContact O-N 3.04Å; D111-W114 WeakPolarHBondContact O-CB 3.41Å; D111-W114 PolarHBondContact O-N 3.03Å; D111-E115 WeakPolarHBondContact O-CG 3.26Å; D111-E115 PolarHBondContact O-N 2.91Å; D111-R186 IonicContact OD1-CZ 3.44Å; D111-R186 IonicContact OD1-NH1 3.27Å; D111-R186 PolarHBondContact OD1-NH1 3.13Å; D111-R186 IonicContact OD1-NH2 2.7Å; D111-R186 IonicContact OD2-CZ 3.93Å; D111-R186 IonicContact OD2-NH1 2.86Å; D111-R186 PolarHBondContact OD2-NH1 3.25Å; D111-R186 IonicContact OD2-NH2 3.02Å; D111-R186 PolarHBondContact OD2-NH2 3.14Å
112N89.1Confident87.1Confident75 Ų7550.1 Ų50.140%0.40126%0.259SS..Hα-helixtrans-64.6-42.1177.1-66.2-20.9000112.2K108 H109 L110 W114 E115 E116K108-N112 VanDerWaalsContact O-CG 3.24Å; K108-N112 PolarHBondContact O-N 3.13Å; K108-N112 VanDerWaalsContact O-N 3.08Å; K108-N112 PolarHBondContact O-ND2 3.03Å; K108-N112 PolarHBondContact O-OD1 3.3Å; H109-N112 WeakPolarHBondContact O-CB 3.27Å; H109-N112 PolarHBondContact O-N 3.36Å; H109-N112 VanDerWaalsContact O-N 3.13Å; L110-N112 VanDerWaalsContact C-N 3.34Å; L110-N112 PolarHBondContact O-N 2.91Å; N112-W114 PolarHBondContact O-N 3.01Å; N112-E115 PolarHBondContact O-N 3.42Å; N112-E116 WeakPolarHBondContact O-CG 3.23Å; N112-E116 PolarHBondContact O-N 3.16Å
113L88.4Confident87.1Confident26 Ų2648.2 Ų48.214%0.13625%0.25CC..Hα-helixtrans-59.6-36.6175.1-73.8175000111.2H109 L110 H117 F129H109-L113 WeakPolarHBondContact O-CG 3.2Å; H109-L113 PolarHBondContact O-N 3.12Å; L110-L113 HydrophobicContact CD2-CD1 4.42Å; L110-L113 PolarHBondContact O-N 3.1Å; L113-H117 WeakPolarHBondContact O-CB 2.82Å; L113-H117 PolarHBondContact O-CD2 2.95Å; L113-H117 VanDerWaalsContact O-CD2 3.27Å; L113-H117 PolarHBondContact O-N 2.98Å; L113-F129 HydrophobicContact CD1-CB 4.02Å; L113-F129 HydrophobicContact CD1-CD1 4.23Å; L113-F129 HydrophobicContact CD1-CD2 4.5Å; L113-F129 HydrophobicContact CD1-CG 3.98Å
114W87.6Confident87.2Confident5 Ų552.5 Ų52.52%0.01927%0.268CS..Hα-helixtrans-63.9-46.4170.7169.4-106.2000112.4Y83 P84 S87 P88 L110 D111 N112 E116 H117 R118 S120 V122 W126Y83-W114 AromaticContact CD2-CH2 3.51Å; Y83-W114 HydrophobicContact CD2-CH2 3.51Å; Y83-W114 HydrophobicContact CD2-CZ2 4.2Å; Y83-W114 AromaticContact CD2-CZ3 3.8Å; Y83-W114 HydrophobicContact CD2-CZ3 3.8Å; Y83-W114 AromaticContact CE2-CE3 3.99Å; Y83-W114 HydrophobicContact CE2-CE3 3.99Å; Y83-W114 AromaticContact CE2-CH2 3.43Å; Y83-W114 HydrophobicContact CE2-CH2 3.43Å; Y83-W114 VanDerWaalsContact CE2-CH2 3.43Å; Y83-W114 HydrophobicContact CE2-CZ2 4.4Å; Y83-W114 AromaticContact CE2-CZ3 3.19Å; Y83-W114 HydrophobicContact CE2-CZ3 3.19Å; P84-W114 HydrophobicContact CB-CH2 3.81Å; P84-W114 HydrophobicContact CB-CZ3 4.22Å; P84-W114 WeakPolarHBondContact O-CH2 3.22Å; P84-W114 WeakPolarHBondContact O-CZ2 3.46Å; S87-W114 VanDerWaalsContact O-CZ2 3.26Å; S87-W114 WeakPolarHBondContact O-CZ2 3.19Å; P88-W114 HydrophobicContact CB-CD2 4.03Å; P88-W114 HydrophobicContact CB-CG 3.77Å; L110-W114 PolarHBondContact O-N 3.36Å; D111-W114 WeakPolarHBondContact O-CB 3.41Å; D111-W114 PolarHBondContact O-N 3.03Å; N112-W114 PolarHBondContact O-N 3.01Å; W114-E116 VanDerWaalsContact C-N 3.3Å; W114-E116 PolarHBondContact O-N 3.33Å; W114-H117 CarbonylContact O-C 3.35Å; W114-H117 PolarHBondContact O-N 3.43Å; W114-H117 VanDerWaalsContact O-N 3.13Å; W114-R118 PolarHBondContact O-N 3.41Å; W114-S120 WeakPolarHBondContact CZ3-O 3.49Å; W114-V122 HydrophobicContact CE3-CB 4.06Å; W114-V122 HydrophobicContact CE3-CG1 3.47Å; W114-V122 VanDerWaalsContact CE3-CG1 3.47Å; W114-V122 HydrophobicContact CE3-CG2 3.42Å; W114-V122 VanDerWaalsContact CE3-CG2 3.42Å; W114-V122 HydrophobicContact CZ3-CB 4.44Å; W114-V122 HydrophobicContact CZ3-CG1 3.81Å; W114-V122 HydrophobicContact CZ3-CG2 3.83Å; W114-W126 HydrophobicContact CB-CZ2 4.17Å
115E87.3Confident87.2Confident111 Ų11153.9 Ų53.952%0.51928%0.281SS..Hα-helixtrans-61.4-38.1-178.5-69.7-159.7148.500113.1D111 N112 H117 R118D111-E115 WeakPolarHBondContact O-CG 3.26Å; D111-E115 PolarHBondContact O-N 2.91Å; N112-E115 PolarHBondContact O-N 3.42Å; E115-H117 VanDerWaalsContact C-N 3.29Å; E115-H117 PolarHBondContact O-N 3.39Å; E115-R118 IonicContact OE1-CZ 3.33Å; E115-R118 IonicContact OE1-NH2 3.08Å; E115-R118 PolarHBondContact OE1-NH2 3.38Å
116E86.6Confident87.3Confident144 Ų14452.4 Ų52.467%0.67327%0.268SS*.Hα-helixtrans-66.4-30.8176-70.8178.6-172.700112.7N112 W114N112-E116 WeakPolarHBondContact O-CG 3.23Å; N112-E116 PolarHBondContact O-N 3.16Å; W114-E116 VanDerWaalsContact C-N 3.3Å; W114-E116 PolarHBondContact O-N 3.33Å
117H83.2Confident87.2Confident90 Ų9052.7 Ų52.742%0.41727%0.27SS..THydrogen-bonded Turntrans-111.624.3-175.4-68.5-69.4000113.7L113 W114 E115 G119 S120 V122L113-H117 WeakPolarHBondContact O-CB 2.82Å; L113-H117 PolarHBondContact O-CD2 2.95Å; L113-H117 VanDerWaalsContact O-CD2 3.27Å; L113-H117 PolarHBondContact O-N 2.98Å; W114-H117 CarbonylContact O-C 3.35Å; W114-H117 PolarHBondContact O-N 3.43Å; W114-H117 VanDerWaalsContact O-N 3.13Å; E115-H117 VanDerWaalsContact C-N 3.29Å; E115-H117 PolarHBondContact O-N 3.39Å; H117-G119 PolarHBondContact O-N 3.41Å; H117-S120 PolarHBondContact O-N 3.05Å; H117-S120 PolarHBondContact O-OG 2.9Å; H117-V122 HydrophobicContact CB-CG1 3.87Å
118R82.8Confident87.3Confident159 Ų15956.2 Ų56.260%0.629%0.286SS*.THydrogen-bonded Turntrans-50.8130.2-179.1-87.2-177.7171.61708.1112.5W114 E115W114-R118 PolarHBondContact O-N 3.41Å; E115-R118 IonicContact OE1-CZ 3.33Å; E115-R118 IonicContact OE1-NH2 3.08Å; E115-R118 PolarHBondContact OE1-NH2 3.38Å
119G79.4Confident87.4Confident48 Ų4851 Ų5150%0.49526%0.263SS..THydrogen-bonded Turntrans88.86.6-177.100000114.4P84 H117P84-G119 VanDerWaalsContact O-CA 3.24Å; P84-G119 WeakPolarHBondContact O-CA 3.35Å; P84-G119 PolarHBondContact O-N 3.08Å; H117-G119 PolarHBondContact O-N 3.41Å
120S85.6Confident87.3Confident49 Ų4949.3 Ų49.334%0.34326%0.256SS..SBendtrans-131.9162.1174.967.60000112P84 W114 H117P84-S120 WeakPolarHBondContact CB-O 3.5Å; W114-S120 WeakPolarHBondContact CZ3-O 3.49Å; H117-S120 PolarHBondContact O-N 3.05Å; H117-S120 PolarHBondContact O-OG 2.9Å
121V87.8Confident87.2Confident68 Ų6852.2 Ų52.241%0.41227%0.268SS..  trans-70.2141.6178.1-69.20000111.1A8 E12 Y83 P84A8-V121 HydrophobicContact CB-CG1 4.32Å; E12-V121 HydrophobicContact CB-CB 4.26Å; E12-V121 HydrophobicContact CB-CG1 4Å; E12-V121 VanDerWaalsContact CD-CB 3.45Å; E12-V121 HydrophobicContact CG-CB 4.1Å; E12-V121 HydrophobicContact CG-CG1 4.35Å; E12-V121 WeakPolarHBondContact OE1-CB 3.4Å; Y83-V121 HydrophobicContact CE1-CG1 4.49Å; Y83-V121 WeakPolarHBondContact OH-CA 3.29Å; P84-V121 HydrophobicContact CG-CG1 4.28Å
122V88.8Confident87.1Confident2 Ų255.6 Ų55.61%0.01228%0.283CS..  trans-134.3-9.2-168.2-64.90000115.9E12 Y83 P89 W114 H117 F124 A125 W126E12-V122 PolarHBondContact OE1-N 3.08Å; Y83-V122 HydrophobicContact CE2-CG2 4.11Å; Y83-V122 WeakPolarHBondContact OH-CG2 3.38Å; Y83-V122 PolarHBondContact OH-N 2.82Å; P89-V122 HydrophobicContact CG-CG2 4.33Å; W114-V122 HydrophobicContact CE3-CB 4.06Å; W114-V122 HydrophobicContact CE3-CG1 3.47Å; W114-V122 VanDerWaalsContact CE3-CG1 3.47Å; W114-V122 HydrophobicContact CE3-CG2 3.42Å; W114-V122 VanDerWaalsContact CE3-CG2 3.42Å; W114-V122 HydrophobicContact CZ3-CB 4.44Å; W114-V122 HydrophobicContact CZ3-CG1 3.81Å; W114-V122 HydrophobicContact CZ3-CG2 3.83Å; H117-V122 HydrophobicContact CB-CG1 3.87Å; V122-F124 VanDerWaalsContact C-N 3.29Å; V122-F124 PolarHBondContact O-N 3.48Å; V122-A125 WeakPolarHBondContact O-CB 3.43Å; V122-A125 PolarHBondContact O-N 3.48Å; V122-A125 VanDerWaalsContact O-N 3.1Å; V122-W126 HydrophobicContact CG2-CD2 4.34Å; V122-W126 HydrophobicContact CG2-CZ2 4.19Å; V122-W126 PolarHBondContact O-N 3.37Å
123L87.4Confident87Confident2 Ų256.9 Ų56.91%0.0129%0.286CS..Hα-helixtrans-61.2-40-176.4-63.2176.1000111.4E12 L13 L16 F77 L79 P89 A125 W126 M127E12-L123 HydrophobicContact CG-CB 4.38Å; E12-L123 HydrophobicContact CG-CD1 4.2Å; E12-L123 WeakPolarHBondContact OE1-CA 3.35Å; E12-L123 WeakPolarHBondContact OE1-CB 3.41Å; E12-L123 WeakPolarHBondContact OE1-CG 3.4Å; E12-L123 PolarHBondContact OE1-N 2.91Å; L13-L123 HydrophobicContact CD2-CD1 4.32Å; L16-L123 HydrophobicContact CD1-CB 3.74Å; L16-L123 HydrophobicContact CD1-CD1 3.91Å; F77-L123 HydrophobicContact CD1-CD2 4.19Å; F77-L123 HydrophobicContact CD2-CD1 4Å; F77-L123 HydrophobicContact CD2-CD2 3.85Å; F77-L123 HydrophobicContact CE1-CD1 4.31Å; F77-L123 HydrophobicContact CE1-CD2 4.38Å; F77-L123 HydrophobicContact CE2-CD1 3.39Å; F77-L123 HydrophobicContact CE2-CD2 4.07Å; F77-L123 HydrophobicContact CE2-CG 4.39Å; F77-L123 HydrophobicContact CG-CD2 3.92Å; F77-L123 HydrophobicContact CZ-CD1 3.57Å; F77-L123 HydrophobicContact CZ-CD2 4.33Å; L79-L123 HydrophobicContact CD2-CD1 4.23Å; P89-L123 HydrophobicContact CG-CD2 4.26Å; L123-A125 PolarHBondContact O-N 3.05Å; L123-W126 HydrophobicContact CD2-CE3 4.2Å; L123-W126 HydrophobicContact CD2-CZ3 4.48Å; L123-W126 PolarHBondContact O-N 2.9Å; L123-M127 WeakPolarHBondContact O-CB 3.45Å; L123-M127 VanDerWaalsContact O-CG 3.24Å; L123-M127 WeakPolarHBondContact O-CG 3.43Å; L123-M127 PolarHBondContact O-N 3.16Å
124F87.9Confident86.9Confident90 Ų9055.7 Ų55.740%0.39528%0.28SS..Hα-helixtrans-61.3-44.3175.1-179.9-97.7000112L16 I19 Y20 V122 M127 Q128L16-F124 HydrophobicContact CD2-CB 4.19Å; L16-F124 HydrophobicContact CD2-CD2 4.23Å; I19-F124 HydrophobicContact CD1-CD2 4.09Å; I19-F124 HydrophobicContact CD1-CE2 3.99Å; Y20-F124 HydrophobicContact CE2-CD2 4.43Å; V122-F124 VanDerWaalsContact C-N 3.29Å; V122-F124 PolarHBondContact O-N 3.48Å; F124-M127 PolarHBondContact O-N 3.43Å; F124-Q128 WeakPolarHBondContact O-CB 3.42Å; F124-Q128 PolarHBondContact O-N 2.99Å
125A87.5Confident86.8Confident36 Ų3656.6 Ų56.630%0.29829%0.285SS..Hα-helixtrans-64.2-42178.200000111.5V122 L123 Q128 F129V122-A125 WeakPolarHBondContact O-CB 3.43Å; V122-A125 PolarHBondContact O-N 3.48Å; V122-A125 VanDerWaalsContact O-N 3.1Å; L123-A125 PolarHBondContact O-N 3.05Å; A125-Q128 PolarHBondContact O-N 3.42Å; A125-F129 WeakPolarHBondContact O-CB 3.27Å; A125-F129 PolarHBondContact O-N 2.92Å
126W90.6Very high86.8Confident0 Ų055.1 Ų55.10%029%0.292CS..Hα-helixtrans-59.2-46.6173.7-744.2000111.9L75 P89 F91 L110 W114 V122 L123 L130L75-W126 HydrophobicContact CD2-CE3 4.27Å; P89-W126 HydrophobicContact CB-CH2 4.03Å; P89-W126 HydrophobicContact CB-CZ3 4Å; P89-W126 HydrophobicContact CG-CH2 3.97Å; P89-W126 HydrophobicContact CG-CZ3 4.13Å; F91-W126 HydrophobicContact CB-CZ3 4.22Å; F91-W126 AromaticContact CD1-CH2 3.43Å; F91-W126 HydrophobicContact CD1-CH2 3.43Å; F91-W126 VanDerWaalsContact CD1-CH2 3.43Å; F91-W126 HydrophobicContact CD1-CZ2 4.49Å; F91-W126 AromaticContact CD1-CZ3 3.56Å; F91-W126 HydrophobicContact CD1-CZ3 3.56Å; F91-W126 AromaticContact CE1-CH2 3.63Å; F91-W126 HydrophobicContact CE1-CH2 3.63Å; F91-W126 HydrophobicContact CE1-CZ2 4.32Å; F91-W126 HydrophobicContact CE1-CZ3 4.09Å; F91-W126 HydrophobicContact CG-CH2 4.28Å; F91-W126 AromaticContact CG-CZ3 3.95Å; F91-W126 HydrophobicContact CG-CZ3 3.95Å; L110-W126 HydrophobicContact CB-CD2 4.22Å; L110-W126 HydrophobicContact CB-CZ2 4.15Å; L110-W126 HydrophobicContact CD2-CB 3.83Å; L110-W126 HydrophobicContact CD2-CD2 4.1Å; L110-W126 HydrophobicContact CD2-CG 3.65Å; L110-W126 WeakPolarHBondContact O-CZ2 3.42Å; L110-W126 PolarHBondContact O-NE1 2.86Å; W114-W126 HydrophobicContact CB-CZ2 4.17Å; V122-W126 HydrophobicContact CG2-CD2 4.34Å; V122-W126 HydrophobicContact CG2-CZ2 4.19Å; V122-W126 PolarHBondContact O-N 3.37Å; L123-W126 HydrophobicContact CD2-CE3 4.2Å; L123-W126 HydrophobicContact CD2-CZ3 4.48Å; L123-W126 PolarHBondContact O-N 2.9Å; W126-L130 VanDerWaalsContact O-CB 3.32Å; W126-L130 WeakPolarHBondContact O-CB 3.19Å; W126-L130 WeakPolarHBondContact O-CG 3.25Å; W126-L130 PolarHBondContact O-N 2.91Å
127M87.7Confident86.7Confident7 Ų753.2 Ų53.23%0.03428%0.279CS..Hα-helixtrans-64.3-43.6178.8-71.7177.663.600112.3L16 Y20 T36 L123 F124 L130 K131L16-M127 HydrophobicContact CD1-SD 4.2Å; L16-M127 HydrophobicContact CD2-SD 3.7Å; Y20-M127 HydrophobicContact CD1-CE 3.86Å; Y20-M127 HydrophobicContact CD2-CE 3.41Å; Y20-M127 VanDerWaalsContact CD2-CE 3.41Å; Y20-M127 HydrophobicContact CD2-SD 4.39Å; Y20-M127 HydrophobicContact CE1-CE 3.68Å; Y20-M127 HydrophobicContact CE2-CE 3.21Å; Y20-M127 HydrophobicContact CE2-SD 4.01Å; Y20-M127 HydrophobicContact CG-CE 3.75Å; T36-M127 HydrophobicContact CG2-CE 3.27Å; T36-M127 HydrophobicContact CG2-CG 3.96Å; T36-M127 HydrophobicContact CG2-SD 3.68Å; L123-M127 WeakPolarHBondContact O-CB 3.45Å; L123-M127 VanDerWaalsContact O-CG 3.24Å; L123-M127 WeakPolarHBondContact O-CG 3.43Å; L123-M127 PolarHBondContact O-N 3.16Å; F124-M127 PolarHBondContact O-N 3.43Å; M127-L130 PolarHBondContact O-N 3.48Å; M127-K131 WeakPolarHBondContact O-CB 3.45Å; M127-K131 PolarHBondContact O-N 3.47Å
128Q89.2Confident86.7Confident74 Ų7450.3 Ų50.335%0.34627%0.267SS..Hα-helixtrans-63.3-49178.4-175176-4.800111.3F124 A125 L130 K131 E132F124-Q128 WeakPolarHBondContact O-CB 3.42Å; F124-Q128 PolarHBondContact O-N 2.99Å; A125-Q128 PolarHBondContact O-N 3.42Å; Q128-L130 VanDerWaalsContact C-N 3.33Å; Q128-L130 PolarHBondContact O-N 3.42Å; Q128-K131 PolarHBondContact O-N 3.05Å; Q128-E132 PolarHBondContact NE2-OE2 3.48Å; Q128-E132 PolarHBondContact O-N 2.93Å
129F91.3Very high86.6Confident9 Ų948.9 Ų48.94%0.03927%0.271CS..Hα-helixtrans-56.4-48.7175.1167.4-98.5000111.2L106 H109 L110 L113 A125 K131 E132 E133 T134 Y137L106-F129 HydrophobicContact CD2-CE1 3.93Å; L106-F129 HydrophobicContact CD2-CZ 4.17Å; H109-F129 HydrophobicContact CB-CZ 4.48Å; H109-F129 AromaticContact CD2-CD1 3.92Å; H109-F129 AromaticContact CD2-CD2 3.83Å; H109-F129 AromaticContact CD2-CE1 3.44Å; H109-F129 VanDerWaalsContact CD2-CE1 3.44Å; H109-F129 WeakPolarHBondContact CD2-CE1 3.4Å; H109-F129 AromaticContact CD2-CE2 3.34Å; H109-F129 WeakPolarHBondContact CD2-CE2 3.3Å; H109-F129 AromaticContact CD2-CZ 3.13Å; H109-F129 WeakPolarHBondContact CD2-CZ 2.96Å; H109-F129 AromaticContact CG-CZ 3.94Å; H109-F129 AromaticContact NE2-CD2 3.75Å; H109-F129 AromaticContact NE2-CE2 3.4Å; H109-F129 WeakPolarHBondContact NE2-CE2 3.39Å; H109-F129 AromaticContact NE2-CZ 3.73Å; L110-F129 HydrophobicContact CD2-CD1 4.1Å; L113-F129 HydrophobicContact CD1-CB 4.02Å; L113-F129 HydrophobicContact CD1-CD1 4.23Å; L113-F129 HydrophobicContact CD1-CD2 4.5Å; L113-F129 HydrophobicContact CD1-CG 3.98Å; A125-F129 WeakPolarHBondContact O-CB 3.27Å; A125-F129 PolarHBondContact O-N 2.92Å; F129-K131 PolarHBondContact O-N 3.36Å; F129-E132 PolarHBondContact O-N 3.11Å; F129-E133 HydrophobicContact CD2-CB 3.54Å; F129-E133 HydrophobicContact CD2-CG 4.36Å; F129-E133 HydrophobicContact CE2-CB 3.75Å; F129-E133 HydrophobicContact CG-CB 4.43Å; F129-E133 WeakPolarHBondContact O-CA 3.46Å; F129-E133 PolarHBondContact O-N 3.24Å; F129-T134 PolarHBondContact O-N 3.08Å; F129-Y137 HydrophobicContact CE2-CD2 4.4Å; F129-Y137 HydrophobicContact CE2-CG 4.19Å; F129-Y137 AromaticContact CZ-CD1 3.99Å; F129-Y137 HydrophobicContact CZ-CD1 3.99Å; F129-Y137 HydrophobicContact CZ-CD2 4.29Å; F129-Y137 AromaticContact CZ-CG 3.8Å; F129-Y137 HydrophobicContact CZ-CG 3.8Å
130L88.9Confident86.7Confident0 Ų047.3 Ų47.30%025%0.251CS..Hα-helixtrans-63.8-30.4-177.6-74.8170.7000112.5I38 L40 L73 L75 L93 L106 L110 W126 M127 Q128 T134I38-L130 HydrophobicContact CD1-CB 3.75Å; I38-L130 HydrophobicContact CD1-CD1 3.36Å; I38-L130 HydrophobicContact CD1-CG 4.19Å; I38-L130 HydrophobicContact CG2-CB 3.97Å; L40-L130 VanDerWaalsContact CD2-O 3.23Å; L40-L130 WeakPolarHBondContact CD2-O 3.42Å; L73-L130 HydrophobicContact CD1-CD2 4.45Å; L75-L130 HydrophobicContact CD2-CD1 4.24Å; L93-L130 HydrophobicContact CD1-CD1 4.3Å; L93-L130 HydrophobicContact CD2-CD2 4.41Å; L106-L130 HydrophobicContact CD1-CD2 4.22Å; L106-L130 HydrophobicContact CD2-CD2 4.5Å; L110-L130 HydrophobicContact CD1-CD1 4.18Å; L110-L130 HydrophobicContact CD2-CD1 4.23Å; L110-L130 HydrophobicContact CD2-CD2 4.49Å; L110-L130 HydrophobicContact CD2-CG 4.17Å; W126-L130 VanDerWaalsContact O-CB 3.32Å; W126-L130 WeakPolarHBondContact O-CB 3.19Å; W126-L130 WeakPolarHBondContact O-CG 3.25Å; W126-L130 PolarHBondContact O-N 2.91Å; M127-L130 PolarHBondContact O-N 3.48Å; Q128-L130 VanDerWaalsContact C-N 3.33Å; Q128-L130 PolarHBondContact O-N 3.42Å; L130-T134 VanDerWaalsContact C-OG1 3.24Å; L130-T134 WeakPolarHBondContact CA-OG1 3.33Å; L130-T134 WeakPolarHBondContact O-CB 3.45Å; L130-T134 PolarHBondContact O-OG1 3.1Å
131K86.5Confident86.4Confident60 Ų6049.6 Ų49.626%0.26126%0.263SS..Hα-helixtrans-79-48.4178.5-178.8170.2-177.3175.20113.2I38 M127 Q128 F129I38-K131 HydrophobicContact CG2-CB 4.05Å; M127-K131 WeakPolarHBondContact O-CB 3.45Å; M127-K131 PolarHBondContact O-N 3.47Å; Q128-K131 PolarHBondContact O-N 3.05Å; F129-K131 PolarHBondContact O-N 3.36Å
132E86.6Confident85.8Confident112 Ų11249.1 Ų49.152%0.52326%0.262SS..Hα-helixtrans-100.7-31.9-166-63.4178.7174.600113.1Q128 F129Q128-E132 PolarHBondContact NE2-OE2 3.48Å; Q128-E132 PolarHBondContact O-N 2.93Å; F129-E132 PolarHBondContact O-N 3.11Å
133E86.5Confident85.3Confident103 Ų10352.5 Ų52.548%0.48128%0.284SS..THydrogen-bonded Turntrans-111.6-16.7-167.6-65.9-174.3-142.400114F129 L135 A136 Y137F129-E133 HydrophobicContact CD2-CB 3.54Å; F129-E133 HydrophobicContact CD2-CG 4.36Å; F129-E133 HydrophobicContact CE2-CB 3.75Å; F129-E133 HydrophobicContact CG-CB 4.43Å; F129-E133 WeakPolarHBondContact O-CA 3.46Å; F129-E133 PolarHBondContact O-N 3.24Å; E133-L135 VanDerWaalsContact C-N 3.3Å; E133-L135 PolarHBondContact O-N 3.36Å; E133-A136 PolarHBondContact O-N 2.98Å; E133-A136 VanDerWaalsContact O-N 3.09Å; E133-Y137 WeakPolarHBondContact O-CB 3.08Å; E133-Y137 PolarHBondContact O-N 3.34Å
134T86.7Confident85Confident0 Ų053.1 Ų53.10%029%0.287CS..Hα-helixtrans-49.6-46.5-179.7-68.30000113.6L40 L73 L106 F129 L130 Y137 L138L40-T134 VanDerWaalsContact CD2-CB 3.48Å; L40-T134 HydrophobicContact CD2-CG2 3.75Å; L73-T134 HydrophobicContact CD1-CG2 4.46Å; L106-T134 HydrophobicContact CD1-CG2 4.01Å; L106-T134 HydrophobicContact CD2-CG2 4.15Å; F129-T134 PolarHBondContact O-N 3.08Å; L130-T134 VanDerWaalsContact C-OG1 3.24Å; L130-T134 WeakPolarHBondContact CA-OG1 3.33Å; L130-T134 WeakPolarHBondContact O-CB 3.45Å; L130-T134 PolarHBondContact O-OG1 3.1Å; T134-Y137 PolarHBondContact O-N 3.45Å; T134-L138 HydrophobicContact CG2-CD1 3.89Å; T134-L138 HydrophobicContact CG2-CG 4.48Å; T134-L138 WeakPolarHBondContact O-CB 3.16Å; T134-L138 WeakPolarHBondContact O-CG 3.13Å; T134-L138 PolarHBondContact O-N 3.48Å
135L85.3Confident84.6Confident24 Ų2452.1 Ų52.113%0.12628%0.284CS..Hα-helixtrans-65.6-42-177.5-63.4177000111.4L40 L42 W97 E133 N139 I140L40-L135 HydrophobicContact CD2-CD2 4.45Å; L40-L135 HydrophobicContact CD2-CG 4.22Å; L42-L135 HydrophobicContact CD2-CD1 3.82Å; L42-L135 HydrophobicContact CD2-CD2 4.44Å; W97-L135 HydrophobicContact CH2-CD2 4.39Å; E133-L135 VanDerWaalsContact C-N 3.3Å; E133-L135 PolarHBondContact O-N 3.36Å; L135-N139 PolarHBondContact O-N 3.42Å; L135-I140 HydrophobicContact CD2-CB 4.11Å; L135-I140 HydrophobicContact CD2-CD1 4.35Å; L135-I140 HydrophobicContact CD2-CG2 3.95Å; L135-I140 PolarHBondContact O-N 3.24Å
136A85.5Confident84.2Confident81 Ų8150.6 Ų50.667%0.66927%0.27SS*.Hα-helixtrans-68.7-43.2177.800000111.3E133 N139E133-A136 PolarHBondContact O-N 2.98Å; E133-A136 VanDerWaalsContact O-N 3.09Å; A136-N139 PolarHBondContact O-N 2.93Å; A136-N139 VanDerWaalsContact O-N 3.15Å
137Y85.3Confident83.5Confident103 Ų10356.2 Ų56.240%0.40430%0.295SS..Hα-helixtrans-63.3-44.5179.8-179.3-101.1000112.4L106 H109 F129 E133 T134 N139L106-Y137 HydrophobicContact CD2-CD1 3.86Å; L106-Y137 HydrophobicContact CD2-CE1 4.32Å; H109-Y137 HydrophobicContact CB-CE1 4.07Å; H109-Y137 HydrophobicContact CB-CE2 4.42Å; H109-Y137 AromaticContact CG-CE2 3.94Å; H109-Y137 AromaticContact CG-CZ 3.85Å; H109-Y137 AromaticContact ND1-CE2 3.61Å; H109-Y137 AromaticContact ND1-CZ 3.84Å; F129-Y137 HydrophobicContact CE2-CD2 4.4Å; F129-Y137 HydrophobicContact CE2-CG 4.19Å; F129-Y137 AromaticContact CZ-CD1 3.99Å; F129-Y137 HydrophobicContact CZ-CD1 3.99Å; F129-Y137 HydrophobicContact CZ-CD2 4.29Å; F129-Y137 AromaticContact CZ-CG 3.8Å; F129-Y137 HydrophobicContact CZ-CG 3.8Å; E133-Y137 WeakPolarHBondContact O-CB 3.08Å; E133-Y137 PolarHBondContact O-N 3.34Å; T134-Y137 PolarHBondContact O-N 3.45Å; Y137-N139 PolarHBondContact O-N 3.09Å
138L84.3Confident82.7Confident29 Ų2958.8 Ų58.815%0.15231%0.308CS..THydrogen-bonded Turntrans-80.70.6177-64.8180000113.4L98 Q102 A105 L106 T134 I140L98-L138 HydrophobicContact CD1-CD1 4.19Å; L98-L138 HydrophobicContact CD2-CD1 3.76Å; Q102-L138 HydrophobicContact CB-CD1 4.06Å; Q102-L138 HydrophobicContact CB-CD2 4.18Å; Q102-L138 HydrophobicContact CG-CD1 4.46Å; Q102-L138 HydrophobicContact CG-CD2 4.38Å; A105-L138 HydrophobicContact CB-CD2 4.3Å; L106-L138 HydrophobicContact CD1-CD1 3.98Å; L106-L138 HydrophobicContact CD2-CD1 4.12Å; L106-L138 HydrophobicContact CD2-CD2 4.13Å; L106-L138 HydrophobicContact CD2-CG 4.02Å; L106-L138 HydrophobicContact CG-CD1 4.07Å; L106-L138 HydrophobicContact CG-CD2 4.21Å; L106-L138 HydrophobicContact CG-CG 4.36Å; T134-L138 HydrophobicContact CG2-CD1 3.89Å; T134-L138 HydrophobicContact CG2-CG 4.48Å; T134-L138 WeakPolarHBondContact O-CB 3.16Å; T134-L138 WeakPolarHBondContact O-CG 3.13Å; T134-L138 PolarHBondContact O-N 3.48Å; L138-I140 HydrophobicContact CB-CD1 3.74Å; L138-I140 HydrophobicContact CB-CG1 3.74Å; L138-I140 HydrophobicContact CD1-CD1 3.83Å; L138-I140 HydrophobicContact CG-CD1 4.46Å; L138-I140 PolarHBondContact O-N 3.45Å
139N80.8Confident81.2Confident129 Ų12956.4 Ų56.469%0.6930%0.304SS*.THydrogen-bonded Turntrans51.640.4-175.6-163.829.1000112.7L135 A136 Y137 V141L135-N139 PolarHBondContact O-N 3.42Å; A136-N139 PolarHBondContact O-N 2.93Å; A136-N139 VanDerWaalsContact O-N 3.15Å; Y137-N139 PolarHBondContact O-N 3.09Å; N139-V141 PolarHBondContact O-N 3.2Å
140I81.3Confident79.3Confident16 Ų1661.5 Ų61.58%0.08234%0.34CS..  trans-80.9112.1179.4-67.8175000108.3F46 W97 L98 L135 L138 F144F46-I140 HydrophobicContact CE2-CG2 4.23Å; F46-I140 HydrophobicContact CZ-CG2 3.95Å; W97-I140 HydrophobicContact CZ3-CD1 3.98Å; L98-I140 HydrophobicContact CD2-CD1 3.7Å; L135-I140 HydrophobicContact CD2-CB 4.11Å; L135-I140 HydrophobicContact CD2-CD1 4.35Å; L135-I140 HydrophobicContact CD2-CG2 3.95Å; L135-I140 PolarHBondContact O-N 3.24Å; L138-I140 HydrophobicContact CB-CD1 3.74Å; L138-I140 HydrophobicContact CB-CG1 3.74Å; L138-I140 HydrophobicContact CD1-CD1 3.83Å; L138-I140 HydrophobicContact CG-CD1 4.46Å; L138-I140 PolarHBondContact O-N 3.45Å; I140-F144 HydrophobicContact CB-CD2 4.3Å; I140-F144 HydrophobicContact CB-CE2 4.45Å; I140-F144 HydrophobicContact CD1-CE2 3.9Å; I140-F144 HydrophobicContact CD1-CZ 4.22Å; I140-F144 HydrophobicContact CG1-CD2 4.15Å; I140-F144 HydrophobicContact CG1-CE2 3.81Å; I140-F144 HydrophobicContact CG2-CB 4.19Å; I140-F144 HydrophobicContact CG2-CD2 3.45Å; I140-F144 VanDerWaalsContact CG2-CD2 3.45Å; I140-F144 HydrophobicContact CG2-CE2 3.93Å; I140-F144 HydrophobicContact CG2-CG 3.86Å
141V77.9Confident77Confident97 Ų9769.3 Ų69.359%0.58838%0.377SS*.  trans-117.8151.9178.3-65.40000110.7N139 P143 F144N139-V141 PolarHBondContact O-N 3.2Å; V141-P143 CarbonylContact O-C 3.17Å; V141-F144 PolarHBondContact O-N 3.21Å
142S76.9Confident74.5Confident57 Ų5775.6 Ų75.640%0.39940%0.404SS..SBendtrans-77.6133.7173.1177.70000110.4K47K47-S142 PolarHBondContact N-OG 2.87Å
143P77.5Confident71.8Confident73 Ų7379.8 Ų79.847%0.47442%0.42SS..SBendcis-77.9134.6-2.730.2-32.9000112.9K47 F49 V141K47-P143 HydrophobicContact CB-CB 4.17Å; K47-P143 CarbonylContact O-C 3.52Å; K47-P143 VanDerWaalsContact O-CA 3.28Å; K47-P143 WeakPolarHBondContact O-CA 3.28Å; F49-P143 HydrophobicContact CB-CB 4.23Å; V141-P143 CarbonylContact O-C 3.17Å
144F80.4Confident69.2Low15 Ų1581.6 Ų81.67%0.06644%0.438CS..EExtended strand (participates in β ladder)trans-89.7124.3180176.7-115.4000111.8F46 K47 I48 F49 W97 I140 V141 L146F46-F144 HydrophobicContact CE1-CB 3.96Å; F46-F144 HydrophobicContact CE2-CB 4.42Å; F46-F144 HydrophobicContact CZ-CB 3.51Å; F46-F144 HydrophobicContact CZ-CG 4.21Å; K47-F144 PolarHBondContact O-N 2.9Å; I48-F144 CarbonylContact C-O 3.45Å; I48-F144 WeakPolarHBondContact CA-O 3.28Å; F49-F144 PolarHBondContact N-O 3.11Å; W97-F144 AromaticContact CE3-CE1 3.78Å; W97-F144 HydrophobicContact CE3-CE1 3.78Å; W97-F144 HydrophobicContact CE3-CZ 4.23Å; W97-F144 HydrophobicContact CZ3-CE1 4.29Å; W97-F144 HydrophobicContact CZ3-CZ 4.45Å; I140-F144 HydrophobicContact CB-CD2 4.3Å; I140-F144 HydrophobicContact CB-CE2 4.45Å; I140-F144 HydrophobicContact CD1-CE2 3.9Å; I140-F144 HydrophobicContact CD1-CZ 4.22Å; I140-F144 HydrophobicContact CG1-CD2 4.15Å; I140-F144 HydrophobicContact CG1-CE2 3.81Å; I140-F144 HydrophobicContact CG2-CB 4.19Å; I140-F144 HydrophobicContact CG2-CD2 3.45Å; I140-F144 VanDerWaalsContact CG2-CD2 3.45Å; I140-F144 HydrophobicContact CG2-CE2 3.93Å; I140-F144 HydrophobicContact CG2-CG 3.86Å; V141-F144 PolarHBondContact O-N 3.21Å; F144-L146 HydrophobicContact CD1-CD2 4.1Å; F144-L146 HydrophobicContact CE1-CD2 3.78Å
145E80.1Confident66.6Low69 Ų6989.4 Ų89.432%0.32248%0.475SS..EExtended strand (participates in β ladder)trans-84.5117.4178.6-173.2179.6-151.900111.6F49 S51 K147F49-E145 HydrophobicContact CD1-CG 4.36Å; F49-E145 WeakPolarHBondContact O-CA 3.45Å; S51-E145 WeakPolarHBondContact CB-OE1 3.41Å; S51-E145 PolarHBondContact OG-OE1 2.59Å; E145-K147 VanDerWaalsContact CD-CE 3.45Å; E145-K147 HydrophobicContact CG-CG 4.45Å; E145-K147 WeakPolarHBondContact OE2-CE 3.3Å; E145-K147 IonicContact OE2-NZ 3.91Å; E145-K147 PolarHBondContact OE2-NZ 2.88Å
146L79.6Confident64Low4 Ų499.5 Ų99.52%0.02151%0.511CS..PPolyproline II helixtrans-75.5126.2176.3-68.2170000110.9I48 F49 V50 W97 F144 L194 L197 I198 I201I48-L146 HydrophobicContact CB-CD1 4.4Å; I48-L146 HydrophobicContact CD1-CD1 4.06Å; F49-L146 PolarHBondContact O-N 2.96Å; F49-L146 VanDerWaalsContact O-N 3.09Å; V50-L146 HydrophobicContact CG2-CB 4.33Å; V50-L146 HydrophobicContact CG2-CD1 3.99Å; W97-L146 HydrophobicContact CB-CD2 3.86Å; F144-L146 HydrophobicContact CD1-CD2 4.1Å; F144-L146 HydrophobicContact CE1-CD2 3.78Å; L146-L194 HydrophobicContact CB-CD1 4.34Å; L146-L197 HydrophobicContact CD2-CD2 4.39Å; L146-I198 HydrophobicContact CD1-CG1 4.32Å; L146-I201 HydrophobicContact CD1-CD1 3.79Å; L146-I201 HydrophobicContact CD2-CD1 4.01Å
147K74.7Confident61.3Low119 Ų119106.7 Ų106.752%0.51752%0.521SS..  trans-125.2133.4178.5-63.5-177.8-177.5176.90110.9E145 Q189E145-K147 VanDerWaalsContact CD-CE 3.45Å; E145-K147 HydrophobicContact CG-CG 4.45Å; E145-K147 WeakPolarHBondContact OE2-CE 3.3Å; E145-K147 IonicContact OE2-NZ 3.91Å; E145-K147 PolarHBondContact OE2-NZ 2.88Å; K147-Q189 PolarHBondContact O-NE2 3.29Å; K147-Q189 VanDerWaalsContact O-NE2 3.16Å
148I71.1Confident58.5Low61 Ų61108 Ų10831%0.31354%0.54SS..  trans-94.5126.9168.1-69.3-179.6000108.6S150 V191 L194I148-S150 PolarHBondContact O-N 2.87Å; I148-V191 HydrophobicContact CD1-CG1 3.86Å; I148-V191 HydrophobicContact CG1-CG1 4.42Å; I148-L194 HydrophobicContact CD1-CB 3.69Å; I148-L194 HydrophobicContact CD1-CD1 3.98Å; I148-L194 HydrophobicContact CD1-CG 4.47Å; I148-L194 HydrophobicContact CG1-CD1 3.9Å
149G58.6Low56.1Low24 Ų24111.5 Ų111.525%0.24757%0.573CS.*  trans-67.1122.9168.600000109.6Q151G149-Q151 PolarHBondContact O-N 3.16Å
150S51.3Low53.7Low116 Ų116114.9 Ų114.981%0.81159%0.585SS**  trans-67.299.7169-74.10000108.7I148 K152I148-S150 PolarHBondContact O-N 2.87Å; S150-K152 VanDerWaalsContact C-N 3.27Å; S150-K152 PolarHBondContact O-N 3.25Å
151Q41.1Very low51.1Low163 Ų163118.4 Ų118.476%0.76262%0.616SS**  trans-64.988.6168.1-71.8-169.7-8.300108.9G149 K153G149-Q151 PolarHBondContact O-N 3.16Å; Q151-K153 PolarHBondContact O-N 3.36Å
152K33.3Very low48.6Very low193 Ų193119.2 Ų119.284%0.83963%0.626SS**  trans-65.2106.9160.8-80.5-178180173.80106.2S150 V154S150-K152 VanDerWaalsContact C-N 3.27Å; S150-K152 PolarHBondContact O-N 3.25Å; K152-V154 PolarHBondContact O-N 3.15Å
153K29Very low46.8Very low199 Ų199121.3 Ų121.387%0.86564%0.639SS**  trans-42.4109.6169.1-88.8177.7173.3172.20109.1Q151 Q155Q151-K153 PolarHBondContact O-N 3.36Å; K153-Q155 VanDerWaalsContact C-N 3.29Å; K153-Q155 PolarHBondContact O-N 2.99Å
154V33.4Very low44.4Very low141 Ų141124.9 Ų124.986%0.85565%0.654SS**  trans-64.495.7165.7178.60000106.4K152 R156K152-V154 PolarHBondContact O-N 3.15Å; V154-R156 PolarHBondContact O-N 2.83Å
155Q31.3Very low41.8Very low164 Ų164130.2 Ų130.277%0.76669%0.688SS**  trans-62.7109.3168.6-91177.1-3.900107.4K153 R157K153-Q155 VanDerWaalsContact C-N 3.29Å; K153-Q155 PolarHBondContact O-N 2.99Å; Q155-R157 VanDerWaalsContact C-N 3.35Å; Q155-R157 PolarHBondContact O-N 3.2Å
156R30.3Very low39.2Very low237 Ų237135.2 Ų135.289%0.89471%0.711SS**  trans-51.398.2162.8-83.1-179.8165.1173.8-3.5108.7V154 T158V154-R156 PolarHBondContact O-N 2.83Å; R156-T158 PolarHBondContact O-N 3.42Å
157R28.2Very low36.8Very low231 Ų231143.1 Ų143.187%0.87275%0.753SS**  trans-77.397165.3-79.4-173.4174.9-177.8-0107.8Q155 A159Q155-R157 VanDerWaalsContact C-N 3.35Å; Q155-R157 PolarHBondContact O-N 3.2Å; R157-A159 PolarHBondContact O-N 3.47Å
158T28.3Very low34.5Very low131 Ų131145 Ų14580%0.80477%0.768SS**  trans-60.2118.3159.740.50000108.8R156 Q160R156-T158 PolarHBondContact O-N 3.42Å; T158-Q160 PolarHBondContact O-N 3.48Å
159A33.3Very low32.3Very low103 Ų103151.7 Ų151.785%0.85180%0.796SS**  trans-67.2119.5174.300000110.5R157R157-A159 PolarHBondContact O-N 3.47Å
160Q30.1Very low30.7Very low199 Ų199154.2 Ų154.293%0.9382%0.821SS**  trans-136138.9157-82.2-173.2-14.400109.3T158T158-Q160 PolarHBondContact O-N 3.48Å
161A26.3Very low29.5Very low90 Ų90152.7 Ų152.774%0.74482%0.824SS**  trans-97147.8-159.200000114.1
162S26.2Very low28.9Very low115 Ų115150 Ų15080%0.80483%0.83SS**  trans74.1161.2147.7-55.70000119.5
163P39.1Very low28.6Very low101 Ų101145.9 Ų145.966%0.65683%0.831SS**  cis-138.3174-39.937-19.4000114.2
164N26.1Very low28.5Very low147 Ų147140 Ų14079%0.78683%0.828SS**  trans88117.6160.1-52.6-26.4000119.4
165T26.8Very low28.3Very low128 Ų128138.6 Ų138.679%0.78582%0.824SS**  170.9117.8104.3-57.80000111
166E26.2Very low28.1Very low173 Ų173138 Ų13881%0.80883%0.826SS**  trans30118.6146.3-51.9-173.6170.100123.5
167L29.3Very low28.2Very low171 Ų171132.6 Ų132.690%0.89582%0.819SS**  32.7120.8129.3-61.1162.6000120.5
168D26.2Very low28.3Very low159 Ų159128.7 Ų128.785%0.8582%0.816SS**  -163.4158.5118.1-152.39.7000113.9
169F24.3Very low28.6Very low201 Ų201130.5 Ų130.588%0.88282%0.815SS**  trans-63.4146.9-167.4-108.8-119.4000119
170G25.6Very low28.9Very low76 Ų76134.1 Ų134.178%0.78481%0.814SS**  109.2120.3120.100000119
171G26.4Very low29.7Very low85 Ų85131.6 Ų131.688%0.87680%0.803SS**  trans132.5101.6149.100000116.1
172A27.4Very low31Very low106 Ų106134.6 Ų134.688%0.87681%0.805SS**  trans-78.8145.5-179.800000113.9
173A26.8Very low32.7Very low106 Ų106132.3 Ų132.388%0.87679%0.785SS**  170.4132.9127.800000111.3
174G27.2Very low34.4Very low77 Ų77128.9 Ų128.979%0.79476%0.762SS**  trans103.479.1159.400000115.3D176G174-D176 PolarHBondContact O-N 2.92Å
175S29.5Very low36.7Very low111 Ų111131 Ų13178%0.77677%0.767SS**  trans-71.993.4160.753.40000109.4
176D27Very low39.2Very low151 Ų151128 Ų12881%0.80774%0.741SS**  trans-96.5108.6152.3-81.2-31.8000106.7G174 D178G174-D176 PolarHBondContact O-N 2.92Å; D176-D178 VanDerWaalsContact C-N 3.31Å; D176-D178 PolarHBondContact O-N 2.88Å
177V31.7Very low41.8Very low123 Ų123120.3 Ų120.375%0.74571%0.707SS**  trans-71.891.9173.9-179.70000106.2Q179V177-Q179 VanDerWaalsContact C-N 3.26Å; V177-Q179 HydrophobicContact CG1-CG 4.34Å; V177-Q179 PolarHBondContact O-N 3.5Å
178D31.6Very low44.3Very low149 Ų149115.1 Ų115.180%0.79768%0.682SS**  trans-60.294.9161.3-82.9-32.7000106.9D176 E180D176-D178 VanDerWaalsContact C-N 3.31Å; D176-D178 PolarHBondContact O-N 2.88Å; D178-E180 VanDerWaalsContact C-N 3.3Å; D178-E180 PolarHBondContact O-N 2.59Å
179Q34.8Very low46.8Very low170 Ų170108.2 Ų108.279%0.79465%0.645SS**  trans-63.798.8163.5-78.1178.43.900106.4V177 E181V177-Q179 VanDerWaalsContact C-N 3.26Å; V177-Q179 HydrophobicContact CG1-CG 4.34Å; V177-Q179 PolarHBondContact O-N 3.5Å; Q179-E181 VanDerWaalsContact C-N 3.32Å; Q179-E181 PolarHBondContact O-N 3.28Å
180E38Very low49.1Very low178 Ų178103.5 Ų103.583%0.83263%0.629SS**  trans-56.799.7164.1-72.8-177.9156.500107.3D178 I182D178-E180 VanDerWaalsContact C-N 3.3Å; D178-E180 PolarHBondContact O-N 2.59Å; E180-I182 PolarHBondContact O-N 2.77Å
181E46.5Very low51.2Low147 Ų147101.4 Ų101.469%0.68760%0.601SS**  trans-61106.3170.7-78.6-169.5153.200107.9T101 Q179 V183T101-E181 WeakPolarHBondContact CG2-OE2 3.5Å; Q179-E181 VanDerWaalsContact C-N 3.32Å; Q179-E181 PolarHBondContact O-N 3.28Å; E181-V183 PolarHBondContact O-N 2.91Å
182I55.3Low53Low153 Ų153106.1 Ų106.179%0.78560%0.6SS**  trans-66.8101.1176.6-56.6171.8000107.3E180E180-I182 PolarHBondContact O-N 2.77Å
183V61.4Low55.3Low66 Ų66102.8 Ų102.840%0.457%0.57SS.*  trans-71.4130.5172.5-174.80000108.1P100 E181 E185P100-V183 HydrophobicContact CB-CG1 3.53Å; P100-V183 HydrophobicContact CB-CG2 4.47Å; E181-V183 PolarHBondContact O-N 2.91Å; V183-E185 PolarHBondContact O-N 2.83Å
184D73.8Confident57.6Low30 Ų30100.3 Ų100.316%0.1654%0.542CS..  trans-63.1132178.3-165.6-41.3000109.8S104 R186 A187S104-D184 PolarHBondContact OG-N 3.19Å; D184-R186 PolarHBondContact O-N 3.03Å; D184-R186 VanDerWaalsContact O-N 3.13Å; D184-R186 VanDerWaalsContact OD1-CB 3.28Å; D184-R186 WeakPolarHBondContact OD1-CB 3.47Å; D184-R186 WeakPolarHBondContact OD1-CG 3.45Å; D184-R186 IonicContact OD1-CZ 3.78Å; D184-R186 PolarHBondContact OD1-N 3.46Å; D184-R186 IonicContact OD1-NE 2.76Å; D184-R186 PolarHBondContact OD1-NE 3.14Å; D184-R186 VanDerWaalsContact OD1-NE 3.08Å; D184-R186 IonicContact OD1-NH2 3.47Å; D184-R186 IonicContact OD2-CZ 3.27Å; D184-R186 IonicContact OD2-NE 3.96Å; D184-R186 PolarHBondContact OD2-NE 3.1Å; D184-R186 IonicContact OD2-NH2 3.79Å; D184-R186 PolarHBondContact OD2-NH2 3.1Å; D184-A187 HydrophobicContact CB-CB 4.23Å; D184-A187 WeakPolarHBondContact O-CB 3.45Å; D184-A187 PolarHBondContact O-N 3.02Å
185E75.4Confident59.9Low192 Ų192100.9 Ų100.990%0.89753%0.534SS*.THydrogen-bonded Turntrans-61.9-20.7178.4-67.9-171.1160.400112.3V183 A187V183-E185 PolarHBondContact O-N 2.83Å; E185-A187 VanDerWaalsContact C-N 3.35Å
186R79.4Confident62.3Low65 Ų6598.8 Ų98.825%0.24551%0.514CS..THydrogen-bonded Turntrans-80.2-13.1177.3-60.3175.3-68.9173.51.2113.7F91 L93 D111 D184F91-R186 VanDerWaalsContact CE1-NH1 3.28Å; F91-R186 VanDerWaalsContact O-CD 3.27Å; F91-R186 WeakPolarHBondContact O-CD 3.1Å; F91-R186 WeakPolarHBondContact O-CG 3.35Å; L93-R186 PolarHBondContact N-O 3.21Å; D111-R186 IonicContact OD1-CZ 3.44Å; D111-R186 IonicContact OD1-NH1 3.27Å; D111-R186 PolarHBondContact OD1-NH1 3.13Å; D111-R186 IonicContact OD1-NH2 2.7Å; D111-R186 IonicContact OD2-CZ 3.93Å; D111-R186 IonicContact OD2-NH1 2.86Å; D111-R186 PolarHBondContact OD2-NH1 3.25Å; D111-R186 IonicContact OD2-NH2 3.02Å; D111-R186 PolarHBondContact OD2-NH2 3.14Å; D184-R186 PolarHBondContact O-N 3.03Å; D184-R186 VanDerWaalsContact O-N 3.13Å; D184-R186 VanDerWaalsContact OD1-CB 3.28Å; D184-R186 WeakPolarHBondContact OD1-CB 3.47Å; D184-R186 WeakPolarHBondContact OD1-CG 3.45Å; D184-R186 IonicContact OD1-CZ 3.78Å; D184-R186 PolarHBondContact OD1-N 3.46Å; D184-R186 IonicContact OD1-NE 2.76Å; D184-R186 PolarHBondContact OD1-NE 3.14Å; D184-R186 VanDerWaalsContact OD1-NE 3.08Å; D184-R186 IonicContact OD1-NH2 3.47Å; D184-R186 IonicContact OD2-CZ 3.27Å; D184-R186 IonicContact OD2-NE 3.96Å; D184-R186 PolarHBondContact OD2-NE 3.1Å; D184-R186 IonicContact OD2-NH2 3.79Å; D184-R186 PolarHBondContact OD2-NH2 3.1Å
187A81.3Confident64.8Low11 Ų1191.7 Ų91.79%0.09148%0.476CS..EExtended strand (participates in β ladder)trans-93102.6-177.200000111.3L103 D184 E185L103-A187 HydrophobicContact CB-CB 3.6Å; D184-A187 HydrophobicContact CB-CB 4.23Å; D184-A187 WeakPolarHBondContact O-CB 3.45Å; D184-A187 PolarHBondContact O-N 3.02Å; E185-A187 VanDerWaalsContact C-N 3.35Å
188V80.6Confident67.2Low61 Ų6187 Ų8737%0.3745%0.447SS..EExtended strand (participates in β ladder)trans-109.7110.1-172.9-175.90000111.4L93 S94 G95 D190L93-V188 PolarHBondContact O-N 3.33Å; S94-V188 WeakPolarHBondContact CA-O 3.28Å; S94-V188 VanDerWaalsContact CB-O 3.31Å; S94-V188 WeakPolarHBondContact CB-O 3.41Å; G95-V188 PolarHBondContact N-O 3.46Å; G95-V188 VanDerWaalsContact N-O 3.15Å; V188-D190 PolarHBondContact O-N 3.32Å
189Q79Confident69.7Low14 Ų1485.4 Ų85.47%0.06543%0.434CS..  trans-86.5105.1166.9-172.1176.33500109.2K96 L98 P100 L103 K147 V191K96-Q189 PolarHBondContact O-NE2 3.03Å; L98-Q189 PolarHBondContact O-NE2 3.47Å; L98-Q189 VanDerWaalsContact O-NE2 3.1Å; P100-Q189 HydrophobicContact CG-CB 4.06Å; L103-Q189 HydrophobicContact CD1-CB 4.44Å; K147-Q189 PolarHBondContact O-NE2 3.29Å; K147-Q189 VanDerWaalsContact O-NE2 3.16Å; Q189-V191 HydrophobicContact CG-CB 4.43Å; Q189-V191 HydrophobicContact CG-CG2 4.27Å; Q189-V191 PolarHBondContact O-N 3.42Å
190D72.5Confident72Confident103 Ų10381 Ų8155%0.55141%0.414SS*.  trans-91.270.8-176.1-170.826.6000111.4V188V188-D190 PolarHBondContact O-N 3.32Å
191V69.8Low74.2Confident32 Ų3272.6 Ų72.619%0.19437%0.374CS..  trans-144.2130.7-177.6178.30000111.6K96 I148 Q189 S193 L197K96-V191 HydrophobicContact CB-CG2 3.86Å; K96-V191 HydrophobicContact CG-CG2 4.45Å; K96-V191 WeakPolarHBondContact O-CG2 3.22Å; I148-V191 HydrophobicContact CD1-CG1 3.86Å; I148-V191 HydrophobicContact CG1-CG1 4.42Å; Q189-V191 HydrophobicContact CG-CB 4.43Å; Q189-V191 HydrophobicContact CG-CG2 4.27Å; Q189-V191 PolarHBondContact O-N 3.42Å; V191-S193 VanDerWaalsContact CG1-O 3.23Å; V191-S193 WeakPolarHBondContact CG1-O 3.25Å; V191-L197 HydrophobicContact CG1-CB 3.81Å; V191-L197 HydrophobicContact CG1-CD2 4.41Å; V191-L197 HydrophobicContact CG2-CB 4.46Å; V191-L197 HydrophobicContact CG2-CD1 3.88Å; V191-L197 HydrophobicContact CG2-CD2 4.34Å; V191-L197 HydrophobicContact CG2-CG 4.45Å
192E64.3Low76.1Confident183 Ų18368 Ų6886%0.85536%0.355SS*.SBendtrans-86.6-34.4175.8-62.5-175.9167.300113.5
193S75.9Confident77.5Confident36 Ų3664.7 Ų64.725%0.25234%0.338SS..  trans-156.2158.1-178.677.30000113.7V191 N196 L197V191-S193 VanDerWaalsContact CG1-O 3.23Å; V191-S193 WeakPolarHBondContact CG1-O 3.25Å; S193-N196 PolarHBondContact O-N 3.44Å; S193-N196 WeakPolarHBondContact OG-CB 3.23Å; S193-N196 PolarHBondContact OG-N 3.06Å; S193-N196 PolarHBondContact OG-ND2 2.89Å; S193-N196 VanDerWaalsContact OG-ND2 3.17Å; S193-L197 PolarHBondContact O-N 3.18Å
194L74.3Confident78.7Confident54 Ų5463.9 Ų63.928%0.28333%0.33SS..Hα-helixtrans-68.3-37.3-177.4-165.271.9000111.5V50 L146 I148 L197 I198V50-L194 HydrophobicContact CG1-CD2 3.39Å; V50-L194 HydrophobicContact CG1-CG 4.01Å; L146-L194 HydrophobicContact CB-CD1 4.34Å; I148-L194 HydrophobicContact CD1-CB 3.69Å; I148-L194 HydrophobicContact CD1-CD1 3.98Å; I148-L194 HydrophobicContact CD1-CG 4.47Å; I148-L194 HydrophobicContact CG1-CD1 3.9Å; L194-L197 PolarHBondContact O-N 2.89Å; L194-I198 HydrophobicContact CG-CD1 4.48Å; L194-I198 WeakPolarHBondContact O-CD1 3.39Å; L194-I198 VanDerWaalsContact O-CG1 3.24Å; L194-I198 WeakPolarHBondContact O-CG1 3.43Å; L194-I198 PolarHBondContact O-N 2.87Å; L194-I198 VanDerWaalsContact O-N 3.08Å
195S75.1Confident79.3Confident90 Ų9063.1 Ų63.163%0.62933%0.325SS*.Hα-helixtrans-65.3-43.4176.6-55.70000111.8I198 Q199S195-I198 PolarHBondContact O-N 3.34Å; S195-Q199 PolarHBondContact O-N 3.25Å; S195-Q199 VanDerWaalsContact O-N 3.15Å
196N80.2Confident79.8Confident67 Ų6759.5 Ų59.536%0.35831%0.308SS..Hα-helixtrans-64.8-41.1176.1-67.8-9.9000111S193 I198 Q199 E200S193-N196 PolarHBondContact O-N 3.44Å; S193-N196 WeakPolarHBondContact OG-CB 3.23Å; S193-N196 PolarHBondContact OG-N 3.06Å; S193-N196 PolarHBondContact OG-ND2 2.89Å; S193-N196 VanDerWaalsContact OG-ND2 3.17Å; N196-I198 PolarHBondContact O-N 3.44Å; N196-Q199 PolarHBondContact O-N 2.97Å; N196-E200 WeakPolarHBondContact O-CB 3.17Å; N196-E200 WeakPolarHBondContact O-CG 3.41Å; N196-E200 PolarHBondContact O-N 3.15Å
197L80.8Confident80.1Confident1 Ų159 Ų591%0.00532%0.318CS..Hα-helixtrans-59.7-45.2177.2177.159.3000112.6K96 W97 L146 V191 S193 L194 Q199 E200 I201K96-L197 HydrophobicContact CB-CD1 3.74Å; W97-L197 HydrophobicContact CB-CD1 4.42Å; L146-L197 HydrophobicContact CD2-CD2 4.39Å; V191-L197 HydrophobicContact CG1-CB 3.81Å; V191-L197 HydrophobicContact CG1-CD2 4.41Å; V191-L197 HydrophobicContact CG2-CB 4.46Å; V191-L197 HydrophobicContact CG2-CD1 3.88Å; V191-L197 HydrophobicContact CG2-CD2 4.34Å; V191-L197 HydrophobicContact CG2-CG 4.45Å; S193-L197 PolarHBondContact O-N 3.18Å; L194-L197 PolarHBondContact O-N 2.89Å; L197-Q199 VanDerWaalsContact C-N 3.35Å; L197-E200 PolarHBondContact O-N 2.93Å; L197-I201 HydrophobicContact CD1-CD1 3.83Å; L197-I201 HydrophobicContact CD1-CG1 4.1Å; L197-I201 HydrophobicContact CG-CD1 3.86Å; L197-I201 VanDerWaalsContact O-CG1 3.25Å; L197-I201 WeakPolarHBondContact O-CG1 3.34Å; L197-I201 PolarHBondContact O-N 2.97Å
198I81.6Confident80.2Confident25 Ų2560.4 Ų60.413%0.12832%0.323CS..Hα-helixtrans-61.8-47.6178.5-63.7157.6000110V50 Y65 L146 L194 S195 N196 E200 I201 L202V50-I198 HydrophobicContact CB-CD1 4.27Å; V50-I198 HydrophobicContact CG1-CD1 4.13Å; V50-I198 HydrophobicContact CG2-CD1 3.67Å; V50-I198 HydrophobicContact CG2-CG1 3.89Å; Y65-I198 HydrophobicContact CD2-CG2 4.44Å; Y65-I198 HydrophobicContact CE2-CG2 3.98Å; L146-I198 HydrophobicContact CD1-CG1 4.32Å; L194-I198 HydrophobicContact CG-CD1 4.48Å; L194-I198 WeakPolarHBondContact O-CD1 3.39Å; L194-I198 VanDerWaalsContact O-CG1 3.24Å; L194-I198 WeakPolarHBondContact O-CG1 3.43Å; L194-I198 PolarHBondContact O-N 2.87Å; L194-I198 VanDerWaalsContact O-N 3.08Å; S195-I198 PolarHBondContact O-N 3.34Å; N196-I198 PolarHBondContact O-N 3.44Å; I198-E200 VanDerWaalsContact C-N 3.33Å; I198-E200 PolarHBondContact O-N 3.38Å; I198-I201 PolarHBondContact O-N 2.79Å; I198-L202 HydrophobicContact CG2-CD1 3.89Å; I198-L202 HydrophobicContact CG2-CG 4.34Å; I198-L202 VanDerWaalsContact O-CG 3.31Å; I198-L202 WeakPolarHBondContact O-CG 3.39Å; I198-L202 PolarHBondContact O-N 3.42Å
199Q82.8Confident80.4Confident116 Ų11660.8 Ų60.854%0.54232%0.321SS..Hα-helixtrans-60.3-45.6179.4-173.2177.2-15.700110.9S195 N196 L197 I201 L202 D203S195-Q199 PolarHBondContact O-N 3.25Å; S195-Q199 VanDerWaalsContact O-N 3.15Å; N196-Q199 PolarHBondContact O-N 2.97Å; L197-Q199 VanDerWaalsContact C-N 3.35Å; Q199-I201 PolarHBondContact O-N 3.4Å; Q199-L202 PolarHBondContact O-N 3.42Å; Q199-D203 VanDerWaalsContact O-CB 3.32Å; Q199-D203 WeakPolarHBondContact O-CB 3.46Å; Q199-D203 PolarHBondContact O-N 3.46Å
200E83.3Confident80.6Confident78 Ų7863.4 Ų63.436%0.36433%0.334SS..Hα-helixtrans-62.4-39.1177.2-74.7-176-170.800113.2K96 N196 L197 I198 F204K96-E200 VanDerWaalsContact CD-OE2 3.3Å; K96-E200 WeakPolarHBondContact CD-OE2 3.27Å; K96-E200 WeakPolarHBondContact CE-OE2 3.36Å; K96-E200 IonicContact NZ-OE1 2.68Å; K96-E200 IonicContact NZ-OE2 3.05Å; K96-E200 PolarHBondContact NZ-OE2 3.29Å; N196-E200 WeakPolarHBondContact O-CB 3.17Å; N196-E200 WeakPolarHBondContact O-CG 3.41Å; N196-E200 PolarHBondContact O-N 3.15Å; L197-E200 PolarHBondContact O-N 2.93Å; I198-E200 VanDerWaalsContact C-N 3.33Å; I198-E200 PolarHBondContact O-N 3.38Å; E200-F204 WeakPolarHBondContact O-CB 3.31Å; E200-F204 PolarHBondContact O-N 2.87Å
201I85.8Confident81.2Confident0 Ų062.9 Ų62.90%033%0.327CS..Hα-helixtrans-64.1-46.1175.8-69.4164.7000110.4I48 I67 L70 P71 W97 L146 L197 I198 Q199 F204 D205I48-I201 HydrophobicContact CD1-CG2 3.99Å; I67-I201 HydrophobicContact CD1-CG2 4.01Å; I67-I201 HydrophobicContact CG2-CG2 4.38Å; L70-I201 HydrophobicContact CD2-CD1 4.43Å; L70-I201 HydrophobicContact CD2-CG1 4.45Å; L70-I201 HydrophobicContact CD2-CG2 3.93Å; P71-I201 HydrophobicContact CG-CB 4.49Å; P71-I201 HydrophobicContact CG-CG1 3.88Å; W97-I201 HydrophobicContact CB-CD1 3.99Å; L146-I201 HydrophobicContact CD1-CD1 3.79Å; L146-I201 HydrophobicContact CD2-CD1 4.01Å; L197-I201 HydrophobicContact CD1-CD1 3.83Å; L197-I201 HydrophobicContact CD1-CG1 4.1Å; L197-I201 HydrophobicContact CG-CD1 3.86Å; L197-I201 VanDerWaalsContact O-CG1 3.25Å; L197-I201 WeakPolarHBondContact O-CG1 3.34Å; L197-I201 PolarHBondContact O-N 2.97Å; I198-I201 PolarHBondContact O-N 2.79Å; Q199-I201 PolarHBondContact O-N 3.4Å; I201-F204 PolarHBondContact O-N 3.46Å; I201-D205 WeakPolarHBondContact O-CB 3.41Å; I201-D205 PolarHBondContact O-N 2.95Å
202L85Confident81.9Confident52 Ų5263.3 Ų63.327%0.27233%0.331SS..Hα-helixtrans-67.2-43.2-179.1-66.9176.3000111.9Y65 I67 I198 Q199 F204 D205 Q206Y65-L202 HydrophobicContact CD1-CD1 4.03Å; Y65-L202 HydrophobicContact CD1-CD2 4.15Å; Y65-L202 HydrophobicContact CE1-CD1 4.04Å; Y65-L202 HydrophobicContact CG-CD2 4.25Å; I67-L202 HydrophobicContact CG2-CD2 4.12Å; I198-L202 HydrophobicContact CG2-CD1 3.89Å; I198-L202 HydrophobicContact CG2-CG 4.34Å; I198-L202 VanDerWaalsContact O-CG 3.31Å; I198-L202 WeakPolarHBondContact O-CG 3.39Å; I198-L202 PolarHBondContact O-N 3.42Å; Q199-L202 PolarHBondContact O-N 3.42Å; L202-F204 VanDerWaalsContact C-N 3.31Å; L202-F204 PolarHBondContact O-N 2.75Å; L202-D205 PolarHBondContact O-N 3.45Å; L202-Q206 WeakPolarHBondContact O-CB 3.45Å; L202-Q206 PolarHBondContact O-N 3.37Å
203D85.5Confident82.9Confident83 Ų8356 Ų5644%0.44430%0.297SS..Hα-helixtrans-62.5-41.3176.9-71.4-12.9000110.5Q199 A207Q199-D203 VanDerWaalsContact O-CB 3.32Å; Q199-D203 WeakPolarHBondContact O-CB 3.46Å; Q199-D203 PolarHBondContact O-N 3.46Å; D203-A207 VanDerWaalsContact O-CB 3.31Å; D203-A207 WeakPolarHBondContact O-CB 3.39Å; D203-A207 PolarHBondContact O-N 3.29Å
204F86.7Confident83.4Confident49 Ų4957.1 Ų57.122%0.21530%0.3CS..Hα-helixtrans-67.5-46.4176.5-179.1-88.4000112.6Y39 F69 L70 P71 E200 I201 L202 Q206 A207 Q208Y39-F204 AromaticContact CD1-CZ 4Å; Y39-F204 HydrophobicContact CD1-CZ 4Å; Y39-F204 HydrophobicContact CE1-CE2 4.32Å; Y39-F204 AromaticContact CE1-CZ 3.65Å; Y39-F204 HydrophobicContact CE1-CZ 3.65Å; F69-F204 HydrophobicContact CB-CD1 4.49Å; F69-F204 HydrophobicContact CB-CE1 4.19Å; L70-F204 VanDerWaalsContact C-CE1 3.42Å; L70-F204 WeakPolarHBondContact O-CE1 3.38Å; P71-F204 HydrophobicContact CG-CB 4.22Å; P71-F204 HydrophobicContact CG-CD1 4.27Å; P71-F204 HydrophobicContact CG-CG 4.21Å; E200-F204 WeakPolarHBondContact O-CB 3.31Å; E200-F204 PolarHBondContact O-N 2.87Å; I201-F204 PolarHBondContact O-N 3.46Å; L202-F204 VanDerWaalsContact C-N 3.31Å; L202-F204 PolarHBondContact O-N 2.75Å; F204-Q206 VanDerWaalsContact C-N 3.31Å; F204-Q206 PolarHBondContact O-N 2.91Å; F204-A207 PolarHBondContact O-N 3.38Å; F204-Q208 HydrophobicContact CE1-CB 4.5Å; F204-Q208 WeakPolarHBondContact O-CB 3.14Å; F204-Q208 PolarHBondContact O-N 2.84Å
205D86.8Confident84Confident13 Ų1358.9 Ų58.97%0.0732%0.317CS..Hα-helixtrans-57.3-46.3176.3177.855.3000110.8I67 C68 F69 I201 L202 Q208 Q209I67-D205 HydrophobicContact CB-CB 4.42Å; I67-D205 HydrophobicContact CG2-CB 4.37Å; C68-D205 WeakPolarHBondContact CA-OD1 3.5Å; C68-D205 PolarHBondContact N-OD1 3.42Å; F69-D205 PolarHBondContact N-OD1 2.92Å; I201-D205 WeakPolarHBondContact O-CB 3.41Å; I201-D205 PolarHBondContact O-N 2.95Å; L202-D205 PolarHBondContact O-N 3.45Å; D205-Q208 PolarHBondContact O-N 3.04Å; D205-Q209 WeakPolarHBondContact O-CB 3.06Å; D205-Q209 VanDerWaalsContact O-CG 3.26Å; D205-Q209 WeakPolarHBondContact O-CG 3.13Å; D205-Q209 PolarHBondContact O-N 3.33Å; D205-Q209 PolarHBondContact OD1-NE2 3.2Å; D205-Q209 PolarHBondContact OD2-NE2 2.85Å
206Q84.6Confident84.7Confident116 Ų11660.8 Ų60.854%0.54231%0.314SS..Hα-helixtrans-61.5-47.2176.1-173.5178.235.400111.8L202 F204 Q208 Q209 I210L202-Q206 WeakPolarHBondContact O-CB 3.45Å; L202-Q206 PolarHBondContact O-N 3.37Å; F204-Q206 VanDerWaalsContact C-N 3.31Å; F204-Q206 PolarHBondContact O-N 2.91Å; Q206-Q208 VanDerWaalsContact C-N 3.32Å; Q206-Q208 PolarHBondContact O-N 3.23Å; Q206-Q209 PolarHBondContact O-N 3.25Å; Q206-I210 HydrophobicContact CG-CD1 3.94Å; Q206-I210 VanDerWaalsContact O-CG1 3.27Å; Q206-I210 WeakPolarHBondContact O-CG1 3.37Å; Q206-I210 PolarHBondContact O-N 3.28Å
207A85.3Confident85.1Confident55 Ų5562.9 Ų62.946%0.45532%0.324SS..Hα-helixtrans-60.1-42.3178.900000111.9D203 F204 I210 K211D203-A207 VanDerWaalsContact O-CB 3.31Å; D203-A207 WeakPolarHBondContact O-CB 3.39Å; D203-A207 PolarHBondContact O-N 3.29Å; F204-A207 PolarHBondContact O-N 3.38Å; A207-I210 PolarHBondContact O-N 3.21Å; A207-K211 PolarHBondContact O-N 3.42Å
208Q85.1Confident85.6Confident41 Ų4165.1 Ų65.119%0.19233%0.334CS..Hα-helixtrans-72-36.8-179.8-167.162.912.700112.1F69 F204 D205 Q206 I210 K211 C212F69-Q208 HydrophobicContact CB-CB 4.04Å; F69-Q208 HydrophobicContact CB-CG 4.08Å; F69-Q208 HydrophobicContact CD1-CB 4.39Å; F69-Q208 HydrophobicContact CD1-CG 3.61Å; F69-Q208 HydrophobicContact CD2-CB 3.73Å; F69-Q208 HydrophobicContact CD2-CG 3.75Å; F69-Q208 HydrophobicContact CE1-CG 3.91Å; F69-Q208 HydrophobicContact CE2-CB 4.29Å; F69-Q208 HydrophobicContact CE2-CG 4.05Å; F69-Q208 HydrophobicContact CG-CB 3.79Å; F69-Q208 HydrophobicContact CG-CG 3.52Å; F69-Q208 HydrophobicContact CZ-CG 4.12Å; F204-Q208 HydrophobicContact CE1-CB 4.5Å; F204-Q208 WeakPolarHBondContact O-CB 3.14Å; F204-Q208 PolarHBondContact O-N 2.84Å; D205-Q208 PolarHBondContact O-N 3.04Å; Q206-Q208 VanDerWaalsContact C-N 3.32Å; Q206-Q208 PolarHBondContact O-N 3.23Å; Q208-I210 VanDerWaalsContact C-N 3.33Å; Q208-K211 PolarHBondContact O-N 3.47Å; Q208-C212 WeakPolarHBondContact O-CB 3.25Å; Q208-C212 PolarHBondContact O-N 2.88Å; Q208-C212 PolarHBondContact O-SG 3.04Å
209Q83.1Confident86Confident68 Ų6868.1 Ų68.132%0.31835%0.35SS..Hα-helixtrans-61-42.3170.2-74.6177.428.800111.6C68 F69 D205 Q206 C212 F213C68-Q209 HydrophobicContact CB-CG 4.48Å; F69-Q209 HydrophobicContact CD2-CG 3.85Å; F69-Q209 HydrophobicContact CE2-CB 4.46Å; F69-Q209 HydrophobicContact CE2-CG 3.63Å; D205-Q209 WeakPolarHBondContact O-CB 3.06Å; D205-Q209 VanDerWaalsContact O-CG 3.26Å; D205-Q209 WeakPolarHBondContact O-CG 3.13Å; D205-Q209 PolarHBondContact O-N 3.33Å; D205-Q209 PolarHBondContact OD1-NE2 3.2Å; D205-Q209 PolarHBondContact OD2-NE2 2.85Å; Q206-Q209 PolarHBondContact O-N 3.25Å; Q209-C212 PolarHBondContact O-N 3.34Å; Q209-F213 WeakPolarHBondContact O-CB 3.46Å; Q209-F213 PolarHBondContact O-N 3.1Å
210I84.5Confident86.5Confident69 Ų6962.6 Ų62.635%0.35432%0.324SS..Hα-helixtrans-64.5-43.3175.1-69166.2000110.8Q206 A207 Q208 C212 F213 N214Q206-I210 HydrophobicContact CG-CD1 3.94Å; Q206-I210 VanDerWaalsContact O-CG1 3.27Å; Q206-I210 WeakPolarHBondContact O-CG1 3.37Å; Q206-I210 PolarHBondContact O-N 3.28Å; A207-I210 PolarHBondContact O-N 3.21Å; Q208-I210 VanDerWaalsContact C-N 3.33Å; I210-C212 VanDerWaalsContact C-N 3.35Å; I210-C212 PolarHBondContact O-N 3.14Å; I210-F213 PolarHBondContact O-N 3.29Å; I210-N214 WeakPolarHBondContact CG2-ND2 3.3Å; I210-N214 VanDerWaalsContact O-CB 3.29Å; I210-N214 WeakPolarHBondContact O-CB 3.39Å; I210-N214 PolarHBondContact O-N 3.41Å; I210-N214 PolarHBondContact O-ND2 3.23Å; I210-N214 PolarHBondContact O-OD1 2.76Å
211K84.9Confident86.7Confident93 Ų9362.6 Ų62.640%0.40433%0.326SS..Hα-helixtrans-59.8-45.5175.7-168.4177.8-177.7-179.70111.1D23 A207 Q208 N214 S215D23-K211 IonicContact OD2-NZ 2.94Å; D23-K211 PolarHBondContact OD2-NZ 2.77Å; A207-K211 PolarHBondContact O-N 3.42Å; Q208-K211 PolarHBondContact O-N 3.47Å; K211-N214 PolarHBondContact O-N 2.85Å; K211-S215 PolarHBondContact O-N 2.83Å; K211-S215 VanDerWaalsContact O-N 3.16Å; K211-S215 PolarHBondContact O-OG 3.42Å
212C84.6Confident86.8Confident40 Ų4065.8 Ų65.827%0.2734%0.343SS..Hα-helixtrans-62.2-42.4175.4-71.60000112.4Q208 Q209 I210 K216Q208-C212 WeakPolarHBondContact O-CB 3.25Å; Q208-C212 PolarHBondContact O-N 2.88Å; Q208-C212 PolarHBondContact O-SG 3.04Å; Q209-C212 PolarHBondContact O-N 3.34Å; I210-C212 VanDerWaalsContact C-N 3.35Å; I210-C212 PolarHBondContact O-N 3.14Å; C212-K216 WeakPolarHBondContact O-CG 3.5Å; C212-K216 PolarHBondContact O-N 3.27Å
213F85.8Confident87.2Confident31 Ų3165.7 Ų65.714%0.13635%0.346CS..Hα-helixtrans-63.4-50.3176178.1-99.7000110.5Q209 I210 S215 K216 F218 G229 C232 Y234 V241Q209-F213 WeakPolarHBondContact O-CB 3.46Å; Q209-F213 PolarHBondContact O-N 3.1Å; I210-F213 PolarHBondContact O-N 3.29Å; F213-S215 PolarHBondContact O-N 3.39Å; F213-S215 VanDerWaalsContact O-N 3.11Å; F213-K216 PolarHBondContact O-N 2.79Å; F213-F218 HydrophobicContact CD2-CD2 4.48Å; F213-F218 HydrophobicContact CD2-CE1 4.28Å; F213-F218 AromaticContact CD2-CE2 3.48Å; F213-F218 HydrophobicContact CD2-CE2 3.48Å; F213-F218 VanDerWaalsContact CD2-CE2 3.48Å; F213-F218 AromaticContact CD2-CZ 3.35Å; F213-F218 HydrophobicContact CD2-CZ 3.35Å; F213-F218 HydrophobicContact CE2-CD1 4.46Å; F213-F218 AromaticContact CE2-CD2 3.96Å; F213-F218 HydrophobicContact CE2-CD2 3.96Å; F213-F218 AromaticContact CE2-CE1 3.94Å; F213-F218 HydrophobicContact CE2-CE1 3.94Å; F213-F218 AromaticContact CE2-CE2 3.35Å; F213-F218 HydrophobicContact CE2-CE2 3.35Å; F213-F218 HydrophobicContact CE2-CG 4.48Å; F213-F218 AromaticContact CE2-CZ 3.34Å; F213-F218 HydrophobicContact CE2-CZ 3.34Å; F213-F218 HydrophobicContact CG-CE2 4.13Å; F213-F218 HydrophobicContact CG-CZ 4.34Å; F213-F218 HydrophobicContact CZ-CD2 4.19Å; F213-F218 AromaticContact CZ-CE2 3.92Å; F213-F218 HydrophobicContact CZ-CE2 3.92Å; F213-F218 HydrophobicContact CZ-CZ 4.33Å; F213-F218 WeakPolarHBondContact O-CE2 3.49Å; F213-G229 WeakPolarHBondContact CE1-O 3.47Å; F213-G229 WeakPolarHBondContact O-CA 3.49Å; F213-C232 HydrophobicContact CE1-CB 4.29Å; F213-C232 HydrophobicContact CZ-CB 4.07Å; F213-Y234 HydrophobicContact CD1-CD1 4.47Å; F213-Y234 HydrophobicContact CD2-CD1 4.19Å; F213-Y234 HydrophobicContact CD2-CE1 4.44Å; F213-Y234 HydrophobicContact CE1-CD1 4.08Å; F213-Y234 AromaticContact CE2-CD1 3.79Å; F213-Y234 HydrophobicContact CE2-CD1 3.79Å; F213-Y234 HydrophobicContact CE2-CE1 4.47Å; F213-Y234 HydrophobicContact CG-CE1 4.48Å; F213-Y234 AromaticContact CZ-CD1 3.73Å; F213-Y234 HydrophobicContact CZ-CD1 3.73Å; F213-V241 HydrophobicContact CE2-CG1 4.18Å; F213-V241 HydrophobicContact CE2-CG2 4.13Å; F213-V241 HydrophobicContact CZ-CG1 3.84Å
214N86.1Confident87.4Confident58 Ų5868.8 Ų68.831%0.3136%0.356SS..Hα-helixtrans-59.7-28.2-177-71.6-14.2000113.8I210 K211 G229 S230I210-N214 WeakPolarHBondContact CG2-ND2 3.3Å; I210-N214 VanDerWaalsContact O-CB 3.29Å; I210-N214 WeakPolarHBondContact O-CB 3.39Å; I210-N214 PolarHBondContact O-N 3.41Å; I210-N214 PolarHBondContact O-ND2 3.23Å; I210-N214 PolarHBondContact O-OD1 2.76Å; K211-N214 PolarHBondContact O-N 2.85Å; N214-G229 PolarHBondContact O-N 3.45Å; N214-S230 PolarHBondContact O-N 2.87Å; N214-S230 WeakPolarHBondContact OD1-CA 3.41Å; N214-S230 PolarHBondContact OD1-N 3.1Å
215S87Confident87.6Confident92 Ų9269.5 Ų69.564%0.64337%0.366SS*.Hα-helixtrans-84-14.9179.5-52.60000113.5K211 F213K211-S215 PolarHBondContact O-N 2.83Å; K211-S215 VanDerWaalsContact O-N 3.16Å; K211-S215 PolarHBondContact O-OG 3.42Å; F213-S215 PolarHBondContact O-N 3.39Å; F213-S215 VanDerWaalsContact O-N 3.11Å
216K88.9Confident87.9Confident129 Ų12975.8 Ų75.856%0.56140%0.395SS*.SBendtrans-89.9152.2179.7-73.1173.7-176-179.70111.3C212 F213 F218 L228 G229C212-K216 WeakPolarHBondContact O-CG 3.5Å; C212-K216 PolarHBondContact O-N 3.27Å; F213-K216 PolarHBondContact O-N 2.79Å; K216-F218 HydrophobicContact CB-CD2 4.47Å; K216-F218 HydrophobicContact CB-CE2 3.63Å; K216-F218 HydrophobicContact CB-CZ 3.82Å; K216-F218 HydrophobicContact CD-CZ 4.47Å; K216-L228 CarbonylContact O-C 3.49Å; K216-G229 PolarHBondContact O-N 3.01Å
217L88.8Confident88.1Confident112 Ų11273.6 Ų73.659%0.58638%0.383SS*.EExtended strand (participates in β ladder)trans-92.1137.6173-68.4169.7000110.2K227 L228L217-K227 WeakPolarHBondContact CA-O 3.1Å; L217-L228 HydrophobicContact CD2-CD2 3.62Å; L217-L228 HydrophobicContact CD2-CG 3.93Å; L217-L228 HydrophobicContact CG-CD2 4.32Å
218F91.1Very high88.4Confident48 Ų4874.8 Ų74.821%0.21138%0.382CS..EExtended strand (participates in β ladder)trans-130.7139.7178-62.8-85.1000110.5F213 K216 E226 K227 V241F213-F218 HydrophobicContact CD2-CD2 4.48Å; F213-F218 HydrophobicContact CD2-CE1 4.28Å; F213-F218 AromaticContact CD2-CE2 3.48Å; F213-F218 HydrophobicContact CD2-CE2 3.48Å; F213-F218 VanDerWaalsContact CD2-CE2 3.48Å; F213-F218 AromaticContact CD2-CZ 3.35Å; F213-F218 HydrophobicContact CD2-CZ 3.35Å; F213-F218 HydrophobicContact CE2-CD1 4.46Å; F213-F218 AromaticContact CE2-CD2 3.96Å; F213-F218 HydrophobicContact CE2-CD2 3.96Å; F213-F218 AromaticContact CE2-CE1 3.94Å; F213-F218 HydrophobicContact CE2-CE1 3.94Å; F213-F218 AromaticContact CE2-CE2 3.35Å; F213-F218 HydrophobicContact CE2-CE2 3.35Å; F213-F218 HydrophobicContact CE2-CG 4.48Å; F213-F218 AromaticContact CE2-CZ 3.34Å; F213-F218 HydrophobicContact CE2-CZ 3.34Å; F213-F218 HydrophobicContact CG-CE2 4.13Å; F213-F218 HydrophobicContact CG-CZ 4.34Å; F213-F218 HydrophobicContact CZ-CD2 4.19Å; F213-F218 AromaticContact CZ-CE2 3.92Å; F213-F218 HydrophobicContact CZ-CE2 3.92Å; F213-F218 HydrophobicContact CZ-CZ 4.33Å; F213-F218 WeakPolarHBondContact O-CE2 3.49Å; K216-F218 HydrophobicContact CB-CD2 4.47Å; K216-F218 HydrophobicContact CB-CE2 3.63Å; K216-F218 HydrophobicContact CB-CZ 3.82Å; K216-F218 HydrophobicContact CD-CZ 4.47Å; F218-E226 WeakPolarHBondContact O-CA 3.41Å; F218-K227 PolarHBondContact N-O 2.74Å; F218-K227 PolarHBondContact O-N 3.12Å; F218-V241 HydrophobicContact CB-CB 4.36Å; F218-V241 HydrophobicContact CB-CG1 3.72Å; F218-V241 HydrophobicContact CD1-CB 4.21Å; F218-V241 HydrophobicContact CD1-CG1 4.06Å; F218-V241 HydrophobicContact CD1-CG2 3.88Å; F218-V241 HydrophobicContact CD2-CG1 4.32Å; F218-V241 HydrophobicContact CE1-CG2 4.18Å; F218-V241 HydrophobicContact CG-CB 4.39Å; F218-V241 HydrophobicContact CG-CG1 3.77Å; F218-V241 HydrophobicContact CG-CG2 4.44Å
219L90.3Very high88.5Confident87 Ų8772.9 Ų72.946%0.45537%0.373SS..EExtended strand (participates in β ladder)trans-85.1122.8173-177.867000109.4F224 E226L219-F224 WeakPolarHBondContact CD1-O 3.46Å; L219-E226 HydrophobicContact CD1-CG 4.14Å
220C92.9Very high88.7Confident0 Ų072.2 Ų72.20%038%0.376CS..  trans-82.8121.1173.4178.60000110.6I222 F224 C225 C243C220-I222 PolarHBondContact O-N 2.95Å; C220-F224 WeakPolarHBondContact O-CA 3.39Å; C220-F224 PolarHBondContact O-N 2.85Å; C220-C225 PolarHBondContact N-O 3.5Å; C220-C243 HydrophobicContact CB-CB 4.14Å; C220-C243 PolarHBondContact SG-N 3.1Å; C220-C243 VanDerWaalsContact SG-N 3.42Å
221N87.1Confident88.9Confident78 Ų7873.4 Ų73.442%0.41738%0.38SS..THydrogen-bonded Turntrans-74.7-0.9-179.3-69.2-20.3000115.1F224 Y242N221-F224 WeakPolarHBondContact O-CZ 3.38Å; N221-Y242 HydrophobicContact CB-CE1 4.13Å
222I89.8Confident89.2Confident68 Ų6869.2 Ų69.235%0.34936%0.362SS..THydrogen-bonded Turntrans-92.8-49.5176-61.7166.2000110.5C220 Y242 C246 P266C220-I222 PolarHBondContact O-N 2.95Å; I222-Y242 HydrophobicContact CD1-CD1 3.57Å; I222-Y242 HydrophobicContact CD1-CE1 4.07Å; I222-Y242 HydrophobicContact CD1-CG 4.23Å; I222-Y242 HydrophobicContact CG1-CD1 3.72Å; I222-Y242 HydrophobicContact CG1-CE1 3.93Å; I222-C246 HydrophobicContact CB-CB 3.87Å; I222-C246 HydrophobicContact CD1-CB 3.8Å; I222-C246 HydrophobicContact CG1-CB 4.45Å; I222-C246 HydrophobicContact CG2-CB 3.81Å; I222-P266 HydrophobicContact CD1-CB 4.1Å; I222-P266 HydrophobicContact CD1-CG 3.98Å; I222-P266 HydrophobicContact CG1-CB 4.45Å
223C91.7Very high89.4Confident49 Ų4967.9 Ų67.933%0.33135%0.352SS..THydrogen-bonded Turntrans-101.5-7.2179.861.40000114.3C225 C246C223-C225 PolarHBondContact O-N 2.8Å; C223-C246 VanDerWaalsContact CB-SG 3.58Å; C223-C246 VanDerWaalsContact SG-SG 3.66Å
224F90.9Very high89.5Confident149 Ų14970 Ų7065%0.65436%0.36SS*.  trans57.426.8-177.4-55.7-82.4000114.2L219 C220 N221L219-F224 WeakPolarHBondContact CD1-O 3.46Å; C220-F224 WeakPolarHBondContact O-CA 3.39Å; C220-F224 PolarHBondContact O-N 2.85Å; N221-F224 WeakPolarHBondContact O-CZ 3.38Å
225C91.1Very high89.5Confident63 Ų6367.4 Ų67.443%0.42635%0.346SS..  trans-102.8141.9175.9-64.60000111.2C220 C223C220-C225 PolarHBondContact N-O 3.5Å; C223-C225 PolarHBondContact O-N 2.8Å
226E92.3Very high89Confident146 Ų14668.7 Ų68.768%0.68235%0.345SS*.EExtended strand (participates in β ladder)trans-77130.6169.8-65.4-179165.800110.2F218 L219F218-E226 WeakPolarHBondContact O-CA 3.41Å; L219-E226 HydrophobicContact CD1-CG 4.14Å
227K89.3Confident88.5Confident69 Ų6969.3 Ų69.330%0.335%0.35SS..EExtended strand (participates in β ladder)trans-137.2144.5-174.5-68.5-59.7-160.9159.20110.1L217 F218 E231 C232 C243L217-K227 WeakPolarHBondContact CA-O 3.1Å; F218-K227 PolarHBondContact N-O 2.74Å; F218-K227 PolarHBondContact O-N 3.12Å; K227-E231 HydrophobicContact CB-CB 4.48Å; K227-E231 WeakPolarHBondContact CD-OE2 3.33Å; K227-E231 IonicContact NZ-OE2 2.83Å; K227-E231 PolarHBondContact NZ-OE2 3.46Å; K227-C232 VanDerWaalsContact CB-SG 3.53Å; K227-C243 HydrophobicContact CB-CB 4.42Å; K227-C243 HydrophobicContact CG-CB 3.95Å
228L91.1Very high88.4Confident81 Ų8165.4 Ų65.442%0.42433%0.332SS..EExtended strand (participates in β ladder)trans-63.4147.4171.4-72.7166.2000109.5K216 L217 S230 E231 C232K216-L228 CarbonylContact O-C 3.49Å; L217-L228 HydrophobicContact CD2-CD2 3.62Å; L217-L228 HydrophobicContact CD2-CG 3.93Å; L217-L228 HydrophobicContact CG-CD2 4.32Å; L228-S230 WeakPolarHBondContact CB-OG 3.35Å; L228-S230 PolarHBondContact O-N 3.42Å; L228-S230 VanDerWaalsContact O-N 3.07Å; L228-E231 WeakPolarHBondContact O-CA 3.42Å; L228-E231 PolarHBondContact O-N 3.19Å; L228-C232 PolarHBondContact O-N 3.5Å; L228-C232 PolarHBondContact O-SG 3.02Å
229G87.3Confident88.2Confident0 Ų072.9 Ų72.90%036%0.358CS..G310 helixtrans-54.7-29177.200000112.9F213 N214 K216 E231 C232F213-G229 WeakPolarHBondContact CE1-O 3.47Å; F213-G229 WeakPolarHBondContact O-CA 3.49Å; N214-G229 PolarHBondContact O-N 3.45Å; K216-G229 PolarHBondContact O-N 3.01Å; G229-E231 PolarHBondContact O-N 2.96Å; G229-C232 CarbonylContact O-C 3.51Å; G229-C232 WeakPolarHBondContact O-CA 3.23Å; G229-C232 PolarHBondContact O-N 3.11Å
230S88.4Confident88.1Confident54 Ų5471.6 Ų71.638%0.37835%0.35SS..G310 helixtrans-61.1-31.2174.7550000113.6N214 L228 K244N214-S230 PolarHBondContact O-N 2.87Å; N214-S230 WeakPolarHBondContact OD1-CA 3.41Å; N214-S230 PolarHBondContact OD1-N 3.1Å; L228-S230 WeakPolarHBondContact CB-OG 3.35Å; L228-S230 PolarHBondContact O-N 3.42Å; L228-S230 VanDerWaalsContact O-N 3.07Å; S230-K244 WeakPolarHBondContact O-CE 3.49Å
231E88.8Confident88.1Confident94 Ų9472.8 Ų72.844%0.43936%0.357SS..G310 helixtrans-92.24.2174.4-66.3-170.3-172.300112.8K227 L228 G229 C243 K244K227-E231 HydrophobicContact CB-CB 4.48Å; K227-E231 WeakPolarHBondContact CD-OE2 3.33Å; K227-E231 IonicContact NZ-OE2 2.83Å; K227-E231 PolarHBondContact NZ-OE2 3.46Å; L228-E231 WeakPolarHBondContact O-CA 3.42Å; L228-E231 PolarHBondContact O-N 3.19Å; G229-E231 PolarHBondContact O-N 2.96Å; E231-C243 CarbonylContact O-C 3.5Å; E231-C243 WeakPolarHBondContact O-CA 3.49Å; E231-K244 WeakPolarHBondContact O-CG 3.42Å; E231-K244 PolarHBondContact O-N 2.83Å
232C90.8Very high88.3Confident5 Ų569.3 Ų69.33%0.03434%0.338CS..EExtended strand (participates in β ladder)trans-117.5161.5-177.6-68.10000111.9F213 K227 L228 G229 V241 Y242 K244F213-C232 HydrophobicContact CE1-CB 4.29Å; F213-C232 HydrophobicContact CZ-CB 4.07Å; K227-C232 VanDerWaalsContact CB-SG 3.53Å; L228-C232 PolarHBondContact O-N 3.5Å; L228-C232 PolarHBondContact O-SG 3.02Å; G229-C232 CarbonylContact O-C 3.51Å; G229-C232 WeakPolarHBondContact O-CA 3.23Å; G229-C232 PolarHBondContact O-N 3.11Å; C232-V241 HydrophobicContact CB-CG1 3.66Å; C232-Y242 CarbonylContact C-O 3.49Å; C232-Y242 VanDerWaalsContact CA-O 3.24Å; C232-Y242 WeakPolarHBondContact CA-O 3.37Å; C232-Y242 WeakPolarHBondContact CB-O 3.45Å; C232-K244 WeakPolarHBondContact O-CE 3.49Å
233M87.7Confident88.5Confident13 Ų1366.2 Ų66.26%0.06432%0.323CS..EExtended strand (participates in β ladder)trans-133.9156166.6-58.4-165.3-3000109.4V241 Y242 K244 L247 Q278 L282M233-V241 WeakPolarHBondContact O-CA 3.1Å; M233-Y242 PolarHBondContact N-O 3.07Å; M233-Y242 PolarHBondContact O-N 2.89Å; M233-K244 HydrophobicContact CG-CD 4.29Å; M233-K244 HydrophobicContact CG-CG 3.73Å; M233-K244 HydrophobicContact SD-CG 4.29Å; M233-L247 HydrophobicContact CB-CD1 4.05Å; M233-L247 HydrophobicContact CE-CD1 3.96Å; M233-Q278 HydrophobicContact CE-CB 4.03Å; M233-Q278 HydrophobicContact CE-CG 4.4Å; M233-L282 HydrophobicContact CE-CD1 3.23Å; M233-L282 HydrophobicContact CE-CD2 4.13Å; M233-L282 HydrophobicContact CE-CG 3.59Å; M233-L282 HydrophobicContact SD-CD1 4.1Å; M233-L282 HydrophobicContact SD-CD2 3.86Å; M233-L282 HydrophobicContact SD-CG 3.9Å
234Y88.1Confident88.5Confident74 Ų7467 Ų6729%0.2932%0.32SS..EExtended strand (participates in β ladder)trans-126.6150.7175.767.4-88.4000111.5F213 L236 H240 Q278F213-Y234 HydrophobicContact CD1-CD1 4.47Å; F213-Y234 HydrophobicContact CD2-CD1 4.19Å; F213-Y234 HydrophobicContact CD2-CE1 4.44Å; F213-Y234 HydrophobicContact CE1-CD1 4.08Å; F213-Y234 AromaticContact CE2-CD1 3.79Å; F213-Y234 HydrophobicContact CE2-CD1 3.79Å; F213-Y234 HydrophobicContact CE2-CE1 4.47Å; F213-Y234 HydrophobicContact CG-CE1 4.48Å; F213-Y234 AromaticContact CZ-CD1 3.73Å; F213-Y234 HydrophobicContact CZ-CD1 3.73Å; Y234-L236 HydrophobicContact CE2-CD2 4.13Å; Y234-H240 WeakPolarHBondContact CA-O 3.46Å; Y234-Q278 PolarHBondContact O-NE2 2.9Å
235F85.9Confident88.6Confident4 Ų463 Ų632%0.01832%0.315CS..  trans-82.9130.5173.6-72.3-100.3000109.6E237 C238 R239 H240 Y242 L247 F251 C265 A274F235-E237 VanDerWaalsContact C-N 3.3Å; F235-E237 PolarHBondContact O-N 3.36Å; F235-C238 WeakPolarHBondContact CB-SG 3.43Å; F235-R239 WeakPolarHBondContact O-CA 3.32Å; F235-R239 PolarHBondContact O-N 3.17Å; F235-H240 PolarHBondContact N-O 3.04Å; F235-Y242 HydrophobicContact CD2-CD2 4.34Å; F235-Y242 HydrophobicContact CD2-CE2 4.38Å; F235-Y242 AromaticContact CE2-CD2 3.99Å; F235-Y242 HydrophobicContact CE2-CD2 3.99Å; F235-Y242 HydrophobicContact CE2-CE2 4.15Å; F235-L247 HydrophobicContact CE2-CD2 4.15Å; F235-L247 HydrophobicContact CZ-CD2 4.38Å; F235-F251 HydrophobicContact CZ-CZ 4.35Å; F235-C265 HydrophobicContact CD1-CB 4.39Å; F235-C265 HydrophobicContact CD2-CB 4.48Å; F235-C265 HydrophobicContact CE1-CB 4.29Å; F235-C265 HydrophobicContact CE2-CB 4.42Å; F235-C265 HydrophobicContact CG-CB 4.48Å; F235-C265 HydrophobicContact CZ-CB 4.33Å; F235-A274 HydrophobicContact CE1-CB 3.73Å; F235-A274 HydrophobicContact CZ-CB 4.4Å
236L76.8Confident88.7Confident120 Ų12060.9 Ų60.963%0.62830%0.301SS*.THydrogen-bonded Turntrans-62.2-37.2-175.8-76.6154.3000112.7Y234 T275Y234-L236 HydrophobicContact CE2-CD2 4.13Å; L236-T275 HydrophobicContact CD1-CG2 4.43Å
237E78.9Confident88.7Confident142 Ų14254 Ų5466%0.66427%0.268SS*.THydrogen-bonded Turntrans-76.9-41.5-175.7-65.1177.9175.200113.3F235 S272F235-E237 VanDerWaalsContact C-N 3.3Å; F235-E237 PolarHBondContact O-N 3.36Å; E237-S272 VanDerWaalsContact CB-OG 3.29Å; E237-S272 WeakPolarHBondContact CB-OG 3.39Å; E237-S272 VanDerWaalsContact OE2-CA 3.26Å; E237-S272 WeakPolarHBondContact OE2-CA 3.35Å; E237-S272 WeakPolarHBondContact OE2-CB 3.41Å; E237-S272 PolarHBondContact OE2-OG 2.93Å
238C87.2Confident88.8Confident30 Ų3053.9 Ų53.920%0.20327%0.268CS..THydrogen-bonded Turntrans-110.1-8.9-174.762.90000114.9F235 H240 C270 S272F235-C238 WeakPolarHBondContact CB-SG 3.43Å; C238-H240 WeakPolarHBondContact CB-ND1 3.47Å; C238-H240 PolarHBondContact O-N 2.85Å; C238-H240 VanDerWaalsContact O-N 3.09Å; C238-H240 PolarHBondContact SG-ND1 3.18Å; C238-C270 WeakPolarHBondContact CB-SG 3.48Å; C238-S272 WeakPolarHBondContact CB-OG 3.48Å
239R85.6Confident88.8Confident204 Ų20454.3 Ų54.377%0.7727%0.271SS*.  trans56.714-177.4-53.1-164-128.7-150.92.8116F235F235-R239 WeakPolarHBondContact O-CA 3.32Å; F235-R239 PolarHBondContact O-N 3.17Å
240H89.4Confident89Confident60 Ų6057 Ų5728%0.27828%0.281SS..  trans-66.1134.8172.9-65.2119.4000110.7Y234 F235 C238 Y242Y234-H240 WeakPolarHBondContact CA-O 3.46Å; F235-H240 PolarHBondContact N-O 3.04Å; C238-H240 WeakPolarHBondContact CB-ND1 3.47Å; C238-H240 PolarHBondContact O-N 2.85Å; C238-H240 VanDerWaalsContact O-N 3.09Å; C238-H240 PolarHBondContact SG-ND1 3.18Å; H240-Y242 HydrophobicContact CB-CD2 4.46Å; H240-Y242 HydrophobicContact CB-CE2 3.61Å
241V91.1Very high89.1Confident26 Ų2654.5 Ų54.516%0.15826%0.264CS..EExtended strand (participates in β ladder)trans-109.4132.9-174.8-172.30000110.4F213 F218 C232 M233F213-V241 HydrophobicContact CE2-CG1 4.18Å; F213-V241 HydrophobicContact CE2-CG2 4.13Å; F213-V241 HydrophobicContact CZ-CG1 3.84Å; F218-V241 HydrophobicContact CB-CB 4.36Å; F218-V241 HydrophobicContact CB-CG1 3.72Å; F218-V241 HydrophobicContact CD1-CB 4.21Å; F218-V241 HydrophobicContact CD1-CG1 4.06Å; F218-V241 HydrophobicContact CD1-CG2 3.88Å; F218-V241 HydrophobicContact CD2-CG1 4.32Å; F218-V241 HydrophobicContact CE1-CG2 4.18Å; F218-V241 HydrophobicContact CG-CB 4.39Å; F218-V241 HydrophobicContact CG-CG1 3.77Å; F218-V241 HydrophobicContact CG-CG2 4.44Å; C232-V241 HydrophobicContact CB-CG1 3.66Å; M233-V241 WeakPolarHBondContact O-CA 3.1Å
242Y92.8Very high89.1Confident4 Ų451.5 Ų51.52%0.01625%0.25CC..EExtended strand (participates in β ladder)trans-139.8153.5176.3-59.4-86000110.5N221 I222 C232 M233 F235 H240 L247 P266 E267N221-Y242 HydrophobicContact CB-CE1 4.13Å; I222-Y242 HydrophobicContact CD1-CD1 3.57Å; I222-Y242 HydrophobicContact CD1-CE1 4.07Å; I222-Y242 HydrophobicContact CD1-CG 4.23Å; I222-Y242 HydrophobicContact CG1-CD1 3.72Å; I222-Y242 HydrophobicContact CG1-CE1 3.93Å; C232-Y242 CarbonylContact C-O 3.49Å; C232-Y242 VanDerWaalsContact CA-O 3.24Å; C232-Y242 WeakPolarHBondContact CA-O 3.37Å; C232-Y242 WeakPolarHBondContact CB-O 3.45Å; M233-Y242 PolarHBondContact N-O 3.07Å; M233-Y242 PolarHBondContact O-N 2.89Å; F235-Y242 HydrophobicContact CD2-CD2 4.34Å; F235-Y242 HydrophobicContact CD2-CE2 4.38Å; F235-Y242 AromaticContact CE2-CD2 3.99Å; F235-Y242 HydrophobicContact CE2-CD2 3.99Å; F235-Y242 HydrophobicContact CE2-CE2 4.15Å; H240-Y242 HydrophobicContact CB-CD2 4.46Å; H240-Y242 HydrophobicContact CB-CE2 3.61Å; Y242-L247 HydrophobicContact CD2-CD2 4.16Å; Y242-L247 HydrophobicContact CG-CD2 4.13Å; Y242-L247 HydrophobicContact CG-CG 4.38Å; Y242-P266 HydrophobicContact CE1-CB 4.12Å; Y242-P266 HydrophobicContact CE1-CG 4.39Å; Y242-P266 HydrophobicContact CE2-CG 4.28Å; Y242-E267 WeakPolarHBondContact OH-CB 3.49Å; Y242-E267 PolarHBondContact OH-N 3.38Å; Y242-E267 PolarHBondContact OH-OE2 3.22Å
243C93.3Very high89Confident4 Ų455.5 Ų55.53%0.02727%0.27CS..EExtended strand (participates in β ladder)trans-71.5146.6175.474.20000111C220 K227 E231 A245 C246 L247C220-C243 HydrophobicContact CB-CB 4.14Å; C220-C243 PolarHBondContact SG-N 3.1Å; C220-C243 VanDerWaalsContact SG-N 3.42Å; K227-C243 HydrophobicContact CB-CB 4.42Å; K227-C243 HydrophobicContact CG-CB 3.95Å; E231-C243 CarbonylContact O-C 3.5Å; E231-C243 WeakPolarHBondContact O-CA 3.49Å; C243-A245 PolarHBondContact O-N 2.93Å; C243-C246 PolarHBondContact O-N 3.17Å; C243-C246 VanDerWaalsContact SG-CB 3.58Å; C243-C246 PolarHBondContact SG-SG 3.08Å; C243-L247 PolarHBondContact O-N 3.49Å; C243-L247 VanDerWaalsContact O-N 3.1Å
244K92.1Very high88.9Confident64 Ų6457 Ų5728%0.27828%0.277SS..Hα-helixtrans-56.7-38.3-178.3-72.4-174.7-179.1-162.80112.2S230 E231 C232 M233 K248 E281 L282S230-K244 WeakPolarHBondContact O-CE 3.49Å; E231-K244 WeakPolarHBondContact O-CG 3.42Å; E231-K244 PolarHBondContact O-N 2.83Å; C232-K244 WeakPolarHBondContact O-CE 3.49Å; M233-K244 HydrophobicContact CG-CD 4.29Å; M233-K244 HydrophobicContact CG-CG 3.73Å; M233-K244 HydrophobicContact SD-CG 4.29Å; K244-K248 VanDerWaalsContact O-CB 3.25Å; K244-K248 WeakPolarHBondContact O-CB 3.15Å; K244-K248 PolarHBondContact O-N 3.42Å; K244-E281 IonicContact NZ-OE1 2.74Å; K244-E281 PolarHBondContact NZ-OE1 2.83Å; K244-L282 HydrophobicContact CB-CD2 3.72Å; K244-L282 HydrophobicContact CD-CD2 4.27Å; K244-L282 HydrophobicContact CG-CD2 3.84Å
245A92.2Very high88.9Confident65 Ų6553.5 Ų53.554%0.53726%0.263SS..Hα-helixtrans-61.6-51178.300000112.2C243 L247 K248 D249C243-A245 PolarHBondContact O-N 2.93Å; A245-L247 PolarHBondContact O-N 3.49Å; A245-K248 WeakPolarHBondContact O-CB 3.24Å; A245-K248 PolarHBondContact O-N 3.2Å; A245-D249 PolarHBondContact O-N 2.83Å; A245-D249 VanDerWaalsContact O-N 3.1Å
246C93.3Very high88.8Confident19 Ų1960.4 Ų60.413%0.12829%0.289CS..Hα-helixtrans-66.7-38.2-179.9-71.30000112.7I222 C223 C243 K248 Y250I222-C246 HydrophobicContact CB-CB 3.87Å; I222-C246 HydrophobicContact CD1-CB 3.8Å; I222-C246 HydrophobicContact CG1-CB 4.45Å; I222-C246 HydrophobicContact CG2-CB 3.81Å; C223-C246 VanDerWaalsContact CB-SG 3.58Å; C223-C246 VanDerWaalsContact SG-SG 3.66Å; C243-C246 PolarHBondContact O-N 3.17Å; C243-C246 VanDerWaalsContact SG-CB 3.58Å; C243-C246 PolarHBondContact SG-SG 3.08Å; C246-K248 VanDerWaalsContact C-N 3.35Å; C246-Y250 VanDerWaalsContact O-CB 3.3Å; C246-Y250 WeakPolarHBondContact O-CB 3.43Å; C246-Y250 PolarHBondContact O-N 3.37Å
247L92Very high89.2Confident1 Ų160 Ų601%0.00529%0.288CS..Hα-helixtrans-67.3-37.2175.6-75.1179.3000112.2M233 F235 Y242 C243 A245 Y250 F251 P266 L282M233-L247 HydrophobicContact CB-CD1 4.05Å; M233-L247 HydrophobicContact CE-CD1 3.96Å; F235-L247 HydrophobicContact CE2-CD2 4.15Å; F235-L247 HydrophobicContact CZ-CD2 4.38Å; Y242-L247 HydrophobicContact CD2-CD2 4.16Å; Y242-L247 HydrophobicContact CG-CD2 4.13Å; Y242-L247 HydrophobicContact CG-CG 4.38Å; C243-L247 PolarHBondContact O-N 3.49Å; C243-L247 VanDerWaalsContact O-N 3.1Å; A245-L247 PolarHBondContact O-N 3.49Å; L247-Y250 PolarHBondContact O-N 2.96Å; L247-F251 HydrophobicContact CD2-CZ 4.45Å; L247-F251 WeakPolarHBondContact O-CB 3.31Å; L247-F251 VanDerWaalsContact O-CG 3.23Å; L247-F251 WeakPolarHBondContact O-CG 3.45Å; L247-F251 PolarHBondContact O-N 3.29Å; L247-P266 HydrophobicContact CD2-CG 3.94Å; L247-L282 HydrophobicContact CB-CD1 3.44Å; L247-L282 VanDerWaalsContact CB-CD1 3.44Å; L247-L282 HydrophobicContact CD1-CD1 4.32Å
248K92.6Very high88.9Confident68 Ų6855 Ų5530%0.29627%0.274SS..Hα-helixtrans-58.1-55.4174.6176.8178.9175.7178.60110.2K244 A245 C246 Y250 F251 E252 L282K244-K248 VanDerWaalsContact O-CB 3.25Å; K244-K248 WeakPolarHBondContact O-CB 3.15Å; K244-K248 PolarHBondContact O-N 3.42Å; A245-K248 WeakPolarHBondContact O-CB 3.24Å; A245-K248 PolarHBondContact O-N 3.2Å; C246-K248 VanDerWaalsContact C-N 3.35Å; K248-Y250 VanDerWaalsContact C-N 3.28Å; K248-Y250 PolarHBondContact O-N 3.29Å; K248-F251 PolarHBondContact O-N 3.49Å; K248-E252 WeakPolarHBondContact CE-OE1 3.24Å; K248-E252 HydrophobicContact CG-CG 4.38Å; K248-E252 IonicContact NZ-OE1 3.77Å; K248-E252 WeakPolarHBondContact O-CG 3.32Å; K248-E252 PolarHBondContact O-N 2.94Å; K248-L282 HydrophobicContact CB-CB 4.37Å; K248-L282 WeakPolarHBondContact CD-O 3.01Å; K248-L282 WeakPolarHBondContact CG-O 3.49Å
249D91.4Very high88Confident90 Ų9059.8 Ų59.848%0.48129%0.293SS..Hα-helixtrans-58.6-42.8-179.6-65.3-23.7000111.5A245 E252 I253A245-D249 PolarHBondContact O-N 2.83Å; A245-D249 VanDerWaalsContact O-N 3.1Å; D249-E252 PolarHBondContact O-N 3.46Å; D249-I253 WeakPolarHBondContact O-CD1 3.14Å; D249-I253 VanDerWaalsContact O-CG1 3.23Å; D249-I253 WeakPolarHBondContact O-CG1 3.2Å; D249-I253 PolarHBondContact O-N 2.85Å
250Y90.8Very high86.9Confident56 Ų5650.3 Ų50.322%0.2226%0.258CS..Hα-helixtrans-60.2-48.7176.4174.2-106.1000112.2C246 L247 K248 I253 Q254 N264 P266C246-Y250 VanDerWaalsContact O-CB 3.3Å; C246-Y250 WeakPolarHBondContact O-CB 3.43Å; C246-Y250 PolarHBondContact O-N 3.37Å; L247-Y250 PolarHBondContact O-N 2.96Å; K248-Y250 VanDerWaalsContact C-N 3.28Å; K248-Y250 PolarHBondContact O-N 3.29Å; Y250-I253 PolarHBondContact O-N 3.45Å; Y250-Q254 HydrophobicContact CD2-CG 4.33Å; Y250-Q254 HydrophobicContact CE1-CG 4.35Å; Y250-Q254 HydrophobicContact CE2-CG 4Å; Y250-Q254 VanDerWaalsContact O-CG 3.27Å; Y250-Q254 WeakPolarHBondContact O-CG 3.43Å; Y250-Q254 PolarHBondContact O-N 2.98Å; Y250-Q254 VanDerWaalsContact O-N 3.08Å; Y250-N264 VanDerWaalsContact CE1-O 3.23Å; Y250-N264 WeakPolarHBondContact CE1-O 3.39Å; Y250-N264 PolarHBondContact OH-O 3.25Å; Y250-P266 HydrophobicContact CD1-CG 4.09Å; Y250-P266 HydrophobicContact CE1-CG 4.02Å; Y250-P266 HydrophobicContact CG-CG 4.45Å
251F89.9Confident85.5Confident1 Ų154.1 Ų54.10%0.00428%0.276CS..Hα-helixtrans-65.3-41.1178.4-67.1-18.9000112.2F235 L247 K248 I253 Q254 I255 L263 A274 V279 L282 V283F235-F251 HydrophobicContact CZ-CZ 4.35Å; L247-F251 HydrophobicContact CD2-CZ 4.45Å; L247-F251 WeakPolarHBondContact O-CB 3.31Å; L247-F251 VanDerWaalsContact O-CG 3.23Å; L247-F251 WeakPolarHBondContact O-CG 3.45Å; L247-F251 PolarHBondContact O-N 3.29Å; K248-F251 PolarHBondContact O-N 3.49Å; F251-I253 VanDerWaalsContact C-N 3.32Å; F251-I253 PolarHBondContact O-N 3.49Å; F251-Q254 PolarHBondContact O-N 3.16Å; F251-I255 WeakPolarHBondContact O-CB 3.47Å; F251-I255 WeakPolarHBondContact O-CD1 3.29Å; F251-I255 WeakPolarHBondContact O-CG1 3.4Å; F251-I255 PolarHBondContact O-N 3.11Å; F251-L263 HydrophobicContact CB-CD1 4.31Å; F251-L263 HydrophobicContact CD1-CB 4.12Å; F251-L263 HydrophobicContact CD1-CD1 3.92Å; F251-L263 HydrophobicContact CD1-CD2 4.02Å; F251-L263 HydrophobicContact CD1-CG 4.25Å; F251-L263 HydrophobicContact CE1-CB 4Å; F251-L263 HydrophobicContact CE1-CD1 4.4Å; F251-L263 HydrophobicContact CG-CD1 4.07Å; F251-A274 HydrophobicContact CE1-CB 4.07Å; F251-A274 HydrophobicContact CE2-CB 4.37Å; F251-A274 HydrophobicContact CZ-CB 3.59Å; F251-V279 HydrophobicContact CD2-CG2 4.49Å; F251-V279 HydrophobicContact CE2-CG2 4.31Å; F251-L282 HydrophobicContact CD2-CB 4.4Å; F251-L282 HydrophobicContact CD2-CD1 3.91Å; F251-L282 HydrophobicContact CE2-CD1 3.75Å; F251-V283 HydrophobicContact CB-CG2 3.77Å; F251-V283 HydrophobicContact CD2-CG2 4.34Å
252E90.1Very high84.2Confident31 Ų3155.6 Ų55.615%0.14529%0.287CS..Hα-helixtrans-60.8-41.6177.8-72-171.4-179.300112.4K248 D249 R256 L287K248-E252 WeakPolarHBondContact CE-OE1 3.24Å; K248-E252 HydrophobicContact CG-CG 4.38Å; K248-E252 IonicContact NZ-OE1 3.77Å; K248-E252 WeakPolarHBondContact O-CG 3.32Å; K248-E252 PolarHBondContact O-N 2.94Å; D249-E252 PolarHBondContact O-N 3.46Å; E252-R256 VanDerWaalsContact O-CB 3.28Å; E252-R256 WeakPolarHBondContact O-CB 3.38Å; E252-R256 PolarHBondContact O-N 2.82Å; E252-L287 HydrophobicContact CB-CD1 4.27Å; E252-L287 HydrophobicContact CG-CD1 3.73Å
253I87.6Confident83.7Confident89 Ų8955.4 Ų55.446%0.45629%0.286SS..Hα-helixtrans-64.5-50.7176.6-67.6164.6000110.1D249 Y250 F251 I255 R256 D257D249-I253 WeakPolarHBondContact O-CD1 3.14Å; D249-I253 VanDerWaalsContact O-CG1 3.23Å; D249-I253 WeakPolarHBondContact O-CG1 3.2Å; D249-I253 PolarHBondContact O-N 2.85Å; Y250-I253 PolarHBondContact O-N 3.45Å; F251-I253 VanDerWaalsContact C-N 3.32Å; F251-I253 PolarHBondContact O-N 3.49Å; I253-I255 VanDerWaalsContact C-N 3.34Å; I253-I255 PolarHBondContact O-N 3.4Å; I253-R256 WeakPolarHBondContact O-CB 3.38Å; I253-R256 PolarHBondContact O-N 3.49Å; I253-R256 VanDerWaalsContact O-N 3.1Å; I253-D257 WeakPolarHBondContact O-CB 3.49Å; I253-D257 PolarHBondContact O-N 3.09Å
254Q86.6Confident83.4Confident46 Ų4658.3 Ų58.322%0.21530%0.302CS..Hα-helixtrans-61.1-40.6-178.6-68.3-65.1-31.500112.7Y250 F251 R256 D257 G258 Q259 L263Y250-Q254 HydrophobicContact CD2-CG 4.33Å; Y250-Q254 HydrophobicContact CE1-CG 4.35Å; Y250-Q254 HydrophobicContact CE2-CG 4Å; Y250-Q254 VanDerWaalsContact O-CG 3.27Å; Y250-Q254 WeakPolarHBondContact O-CG 3.43Å; Y250-Q254 PolarHBondContact O-N 2.98Å; Y250-Q254 VanDerWaalsContact O-N 3.08Å; F251-Q254 PolarHBondContact O-N 3.16Å; Q254-R256 VanDerWaalsContact C-N 3.35Å; Q254-D257 PolarHBondContact O-N 2.78Å; Q254-G258 PolarHBondContact O-N 2.81Å; Q254-Q259 PolarHBondContact O-N 3.16Å; Q254-Q259 VanDerWaalsContact O-N 3.11Å; Q254-L263 HydrophobicContact CB-CD2 3.37Å; Q254-L263 HydrophobicContact CG-CD2 4.07Å
255I86.6Confident83.2Confident0 Ų055.5 Ų55.50%029%0.29CS..Hα-helixtrans-66.7-38.2176.4-65.7164.3000110.9F251 I253 G258 L263 V279 V283 L287 R290 Y291F251-I255 WeakPolarHBondContact O-CB 3.47Å; F251-I255 WeakPolarHBondContact O-CD1 3.29Å; F251-I255 WeakPolarHBondContact O-CG1 3.4Å; F251-I255 PolarHBondContact O-N 3.11Å; I253-I255 VanDerWaalsContact C-N 3.34Å; I253-I255 PolarHBondContact O-N 3.4Å; I255-G258 PolarHBondContact O-N 3.34Å; I255-L263 HydrophobicContact CD1-CD1 4.37Å; I255-L263 HydrophobicContact CG1-CD1 4.37Å; I255-V279 HydrophobicContact CD1-CG1 4.23Å; I255-V283 HydrophobicContact CD1-CG1 4.11Å; I255-V283 HydrophobicContact CD1-CG2 4.19Å; I255-L287 HydrophobicContact CG2-CD2 4.47Å; I255-R290 HydrophobicContact CG2-CB 4.46Å; I255-R290 HydrophobicContact CG2-CG 4.25Å; I255-Y291 HydrophobicContact CD1-CD2 4.45Å; I255-Y291 HydrophobicContact CD1-CG 4.4Å; I255-Y291 HydrophobicContact CG1-CD2 4.2Å
256R85.3Confident83.1Confident148 Ų14854.2 Ų54.256%0.55828%0.276SS*.Hα-helixtrans-67.5-40.4178.7-170.5179.2-60.8167.55.5111.9E252 I253 Q254 G258 R290E252-R256 VanDerWaalsContact O-CB 3.28Å; E252-R256 WeakPolarHBondContact O-CB 3.38Å; E252-R256 PolarHBondContact O-N 2.82Å; I253-R256 WeakPolarHBondContact O-CB 3.38Å; I253-R256 PolarHBondContact O-N 3.49Å; I253-R256 VanDerWaalsContact O-N 3.1Å; Q254-R256 VanDerWaalsContact C-N 3.35Å; R256-G258 PolarHBondContact O-N 2.79Å; R256-R290 PolarHBondContact O-NH2 3.19Å
257D83.9Confident82.8Confident113 Ų11356.2 Ų56.260%0.60428%0.284SS*.Hα-helixtrans-74.8-8.1179.3-68.4-10.9000112.8I253 Q254 Q259I253-D257 WeakPolarHBondContact O-CB 3.49Å; I253-D257 PolarHBondContact O-N 3.09Å; Q254-D257 PolarHBondContact O-N 2.78Å; D257-Q259 VanDerWaalsContact C-N 3.27Å; D257-Q259 PolarHBondContact O-N 3.38Å
258G73.9Confident82.4Confident37 Ų3761 Ų6138%0.38131%0.314SS..THydrogen-bonded Turntrans80.27.9177.700000113.9Q254 I255 R256 V260Q254-G258 PolarHBondContact O-N 2.81Å; I255-G258 PolarHBondContact O-N 3.34Å; R256-G258 PolarHBondContact O-N 2.79Å; G258-V260 PolarHBondContact O-N 3.22Å
259Q67.8Low81.9Confident129 Ų12968 Ų6860%0.60335%0.345SS*.  trans-82.464.2177.6-161.8918.200110Q254 D257Q254-Q259 PolarHBondContact O-N 3.16Å; Q254-Q259 VanDerWaalsContact O-N 3.11Å; D257-Q259 VanDerWaalsContact C-N 3.27Å; D257-Q259 PolarHBondContact O-N 3.38Å
260V62.8Low81.6Confident6 Ų664.7 Ų64.74%0.03633%0.329CS..  trans-92.8-5.9-174.3-67.50000114.7G258 C262 Y291 L294G258-V260 PolarHBondContact O-N 3.22Å; V260-C262 PolarHBondContact O-N 3.31Å; V260-C262 VanDerWaalsContact O-N 3.15Å; V260-Y291 HydrophobicContact CB-CD2 4.47Å; V260-Y291 HydrophobicContact CG1-CD2 4.28Å; V260-L294 HydrophobicContact CB-CB 3.93Å; V260-L294 HydrophobicContact CG1-CB 3.69Å; V260-L294 HydrophobicContact CG1-CD1 3.53Å; V260-L294 HydrophobicContact CG1-CG 4.26Å; V260-L294 HydrophobicContact CG2-CB 3.4Å; V260-L294 HydrophobicContact CG2-CD1 4.42Å; V260-L294 HydrophobicContact CG2-CG 4.43Å
261Q60Low81.4Confident140 Ų14067.3 Ų67.365%0.65435%0.352SS*.SBendtrans-57.5-36.2-170-84.5-175.50.900112.2S298Q261-S298 WeakPolarHBondContact CG-OG 3.29Å
262C63.9Low81.2Confident56 Ų5667.6 Ų67.638%0.37836%0.355SS..  trans-156.7117.8166.9-62.30000107.9V260 N264 V273V260-C262 PolarHBondContact O-N 3.31Å; V260-C262 VanDerWaalsContact O-N 3.15Å; C262-N264 WeakPolarHBondContact CB-OD1 3.37Å; C262-N264 PolarHBondContact O-N 2.83Å; C262-N264 PolarHBondContact O-OD1 2.88Å; C262-V273 HydrophobicContact CB-CB 4.38Å; C262-V273 HydrophobicContact CB-CG1 3.73Å; C262-V273 HydrophobicContact CB-CG2 3.71Å
263L81Confident81.1Confident1 Ų168.4 Ų68.41%0.00536%0.361CS..  trans-69.984.9166.5-73.9176.1000108.1F251 Q254 I255 A274 V279 Y291F251-L263 HydrophobicContact CB-CD1 4.31Å; F251-L263 HydrophobicContact CD1-CB 4.12Å; F251-L263 HydrophobicContact CD1-CD1 3.92Å; F251-L263 HydrophobicContact CD1-CD2 4.02Å; F251-L263 HydrophobicContact CD1-CG 4.25Å; F251-L263 HydrophobicContact CE1-CB 4Å; F251-L263 HydrophobicContact CE1-CD1 4.4Å; F251-L263 HydrophobicContact CG-CD1 4.07Å; Q254-L263 HydrophobicContact CB-CD2 3.37Å; Q254-L263 HydrophobicContact CG-CD2 4.07Å; I255-L263 HydrophobicContact CD1-CD1 4.37Å; I255-L263 HydrophobicContact CG1-CD1 4.37Å; L263-A274 HydrophobicContact CB-CB 4.08Å; L263-A274 WeakPolarHBondContact O-CB 3.38Å; L263-A274 PolarHBondContact O-N 3.46Å; L263-V279 HydrophobicContact CD1-CB 4.35Å; L263-V279 HydrophobicContact CD1-CG1 3.78Å; L263-V279 HydrophobicContact CD1-CG2 3.53Å; L263-Y291 HydrophobicContact CD1-CD2 3.96Å; L263-Y291 HydrophobicContact CD1-CE2 3.7Å; L263-Y291 HydrophobicContact CG-CE2 4.04Å
264N87.1Confident81Confident65 Ų6564.3 Ų64.335%0.34834%0.341SS..BIsolated β-bridgetrans-71.8153-173.1-66.5-35000111.5Y250 C262 S272Y250-N264 VanDerWaalsContact CE1-O 3.23Å; Y250-N264 WeakPolarHBondContact CE1-O 3.39Å; Y250-N264 PolarHBondContact OH-O 3.25Å; C262-N264 WeakPolarHBondContact CB-OD1 3.37Å; C262-N264 PolarHBondContact O-N 2.83Å; C262-N264 PolarHBondContact O-OD1 2.88Å; N264-S272 CarbonylContact C-O 3.54Å; N264-S272 WeakPolarHBondContact CA-O 3.26Å
265C89.3Confident81Confident5 Ų564.8 Ų64.83%0.03435%0.347CS..  trans-50.2132.5166.4-177.50000110.1F235 E267 C270 S272F235-C265 HydrophobicContact CD1-CB 4.39Å; F235-C265 HydrophobicContact CD2-CB 4.48Å; F235-C265 HydrophobicContact CE1-CB 4.29Å; F235-C265 HydrophobicContact CE2-CB 4.42Å; F235-C265 HydrophobicContact CG-CB 4.48Å; F235-C265 HydrophobicContact CZ-CB 4.33Å; C265-E267 PolarHBondContact O-N 2.94Å; C265-E267 VanDerWaalsContact O-N 3.08Å; C265-E267 VanDerWaalsContact SG-CB 3.6Å; C265-E267 PolarHBondContact SG-N 3.24Å; C265-C270 HydrophobicContact CB-CB 3.97Å; C265-S272 PolarHBondContact N-O 3.32Å
266P88.7Confident81Confident37 Ų3768.1 Ų68.124%0.2437%0.369CS..SBendtrans-60.8-14.6176-25.535.1000114.6I222 Y242 L247 Y250I222-P266 HydrophobicContact CD1-CB 4.1Å; I222-P266 HydrophobicContact CD1-CG 3.98Å; I222-P266 HydrophobicContact CG1-CB 4.45Å; Y242-P266 HydrophobicContact CE1-CB 4.12Å; Y242-P266 HydrophobicContact CE1-CG 4.39Å; Y242-P266 HydrophobicContact CE2-CG 4.28Å; L247-P266 HydrophobicContact CD2-CG 3.94Å; Y250-P266 HydrophobicContact CD1-CG 4.09Å; Y250-P266 HydrophobicContact CE1-CG 4.02Å; Y250-P266 HydrophobicContact CG-CG 4.45Å
267E87.3Confident81Confident62 Ų6263.4 Ų63.429%0.2937%0.366SS..SBendtrans-68.2129.6180-169.567.8-144.800111.1Y242 C265 K269 C270Y242-E267 WeakPolarHBondContact OH-CB 3.49Å; Y242-E267 PolarHBondContact OH-N 3.38Å; Y242-E267 PolarHBondContact OH-OE2 3.22Å; C265-E267 PolarHBondContact O-N 2.94Å; C265-E267 VanDerWaalsContact O-N 3.08Å; C265-E267 VanDerWaalsContact SG-CB 3.6Å; C265-E267 PolarHBondContact SG-N 3.24Å; E267-K269 PolarHBondContact O-N 3.01Å; E267-C270 HydrophobicContact CB-CB 3.88Å; E267-C270 HydrophobicContact CG-CB 4.44Å; E267-C270 VanDerWaalsContact O-CB 3.31Å; E267-C270 WeakPolarHBondContact O-CB 3.27Å; E267-C270 PolarHBondContact O-N 2.94Å; E267-C270 VanDerWaalsContact O-N 3.17Å
268P83.1Confident81.2Confident100 Ų10059.3 Ų59.365%0.64934%0.343SS*.THydrogen-bonded Turntrans-56.3133.7178.1-23.933.3000112.3C270P268-C270 PolarHBondContact O-N 3.4Å
269K82.3Confident81.9Confident215 Ų21557.5 Ų57.594%0.93533%0.325SS*.THydrogen-bonded Turntrans64.614.4179-49.2174.7-179.41750114.7E267E267-K269 PolarHBondContact O-N 3.01Å
270C86.6Confident82.9Confident21 Ų2158 Ų5814%0.14233%0.325CS..  trans-86.7122.3172.1-171.20000110.2C238 C265 E267 P268 S272C238-C270 WeakPolarHBondContact CB-SG 3.48Å; C265-C270 HydrophobicContact CB-CB 3.97Å; E267-C270 HydrophobicContact CB-CB 3.88Å; E267-C270 HydrophobicContact CG-CB 4.44Å; E267-C270 VanDerWaalsContact O-CB 3.31Å; E267-C270 WeakPolarHBondContact O-CB 3.27Å; E267-C270 PolarHBondContact O-N 2.94Å; E267-C270 VanDerWaalsContact O-N 3.17Å; P268-C270 PolarHBondContact O-N 3.4Å; C270-S272 VanDerWaalsContact C-N 3.26Å; C270-S272 PolarHBondContact O-N 2.9Å
271P85.1Confident84.1Confident111 Ų11163.4 Ų63.472%0.72135%0.35SS*.  trans-83.50.2178.834.7-36000113.3
272S85.9Confident85.5Confident7 Ų757.6 Ų57.65%0.04932%0.323CS..  trans-71.8140.5-173.7-63.70000112.5E237 C238 N264 C265 C270E237-S272 VanDerWaalsContact CB-OG 3.29Å; E237-S272 WeakPolarHBondContact CB-OG 3.39Å; E237-S272 VanDerWaalsContact OE2-CA 3.26Å; E237-S272 WeakPolarHBondContact OE2-CA 3.35Å; E237-S272 WeakPolarHBondContact OE2-CB 3.41Å; E237-S272 PolarHBondContact OE2-OG 2.93Å; C238-S272 WeakPolarHBondContact CB-OG 3.48Å; N264-S272 CarbonylContact C-O 3.54Å; N264-S272 WeakPolarHBondContact CA-O 3.26Å; C265-S272 PolarHBondContact N-O 3.32Å; C270-S272 VanDerWaalsContact C-N 3.26Å; C270-S272 PolarHBondContact O-N 2.9Å
273V87.7Confident86.7Confident48 Ų4855.4 Ų55.429%0.29131%0.308SS..BIsolated β-bridgetrans-111.9143.7-175.8-169.70000110.4C262C262-V273 HydrophobicContact CB-CB 4.38Å; C262-V273 HydrophobicContact CB-CG1 3.73Å; C262-V273 HydrophobicContact CB-CG2 3.71Å
274A86.8Confident87.2Confident4 Ų460.9 Ų60.93%0.03333%0.334CS..  trans-68.3135.3172.500000110.5F235 F251 L263 V279F235-A274 HydrophobicContact CE1-CB 3.73Å; F235-A274 HydrophobicContact CZ-CB 4.4Å; F251-A274 HydrophobicContact CE1-CB 4.07Å; F251-A274 HydrophobicContact CE2-CB 4.37Å; F251-A274 HydrophobicContact CZ-CB 3.59Å; L263-A274 HydrophobicContact CB-CB 4.08Å; L263-A274 WeakPolarHBondContact O-CB 3.38Å; L263-A274 PolarHBondContact O-N 3.46Å; A274-V279 HydrophobicContact CB-CG2 4.04Å
275T86.5Confident87.3Confident56 Ų5661.8 Ų61.834%0.34435%0.351SS..  trans-71.3149.9174.162.50000110.8L236 G277 Q278 V279L236-T275 HydrophobicContact CD1-CG2 4.43Å; T275-G277 PolarHBondContact O-N 3.35Å; T275-G277 VanDerWaalsContact O-N 3.11Å; T275-Q278 WeakPolarHBondContact O-CB 3.47Å; T275-Q278 PolarHBondContact O-N 2.91Å; T275-Q278 VanDerWaalsContact OG1-CG 3.24Å; T275-Q278 WeakPolarHBondContact OG1-CG 3.42Å; T275-Q278 PolarHBondContact OG1-N 3.41Å; T275-Q278 PolarHBondContact OG1-OE1 3.23Å; T275-V279 WeakPolarHBondContact O-CG2 3.26Å; T275-V279 PolarHBondContact O-N 2.94Å
276P86.5Confident87.2Confident69 Ų6969.4 Ų69.445%0.44839%0.386SS..Hα-helixtrans-56.1-31.4177.5-26.634.8000113.6V279 K280 F288P276-V279 PolarHBondContact O-N 3.42Å; P276-K280 WeakPolarHBondContact O-CB 3.44Å; P276-K280 PolarHBondContact O-N 3.41Å; P276-F288 WeakPolarHBondContact O-CE2 3.32Å
277G85.4Confident87.1Confident49 Ų4969.2 Ų69.251%0.50538%0.383SS..Hα-helixtrans-62.9-44.3174.700000112.9T275 V279 K280 E281T275-G277 PolarHBondContact O-N 3.35Å; T275-G277 VanDerWaalsContact O-N 3.11Å; G277-V279 VanDerWaalsContact C-N 3.33Å; G277-V279 PolarHBondContact O-N 2.94Å; G277-K280 PolarHBondContact O-N 2.98Å; G277-E281 PolarHBondContact O-N 2.96Å
278Q87Confident87.3Confident27 Ų2768.1 Ų68.113%0.12638%0.377CS..Hα-helixtrans-65.1-36.7177-71.2170.2-49.400112.3M233 Y234 T275 E281 L282M233-Q278 HydrophobicContact CE-CB 4.03Å; M233-Q278 HydrophobicContact CE-CG 4.4Å; Y234-Q278 PolarHBondContact O-NE2 2.9Å; T275-Q278 WeakPolarHBondContact O-CB 3.47Å; T275-Q278 PolarHBondContact O-N 2.91Å; T275-Q278 VanDerWaalsContact OG1-CG 3.24Å; T275-Q278 WeakPolarHBondContact OG1-CG 3.42Å; T275-Q278 PolarHBondContact OG1-N 3.41Å; T275-Q278 PolarHBondContact OG1-OE1 3.23Å; Q278-E281 PolarHBondContact O-N 3.37Å; Q278-L282 PolarHBondContact O-N 3.43Å
279V88.5Confident87.5Confident0 Ų065.6 Ų65.60%037%0.365CS..Hα-helixtrans-67.5-43.5176.2-175.60000110.2F251 I255 L263 A274 T275 P276 G277 E281 L282 V283 F288 Y291F251-V279 HydrophobicContact CD2-CG2 4.49Å; F251-V279 HydrophobicContact CE2-CG2 4.31Å; I255-V279 HydrophobicContact CD1-CG1 4.23Å; L263-V279 HydrophobicContact CD1-CB 4.35Å; L263-V279 HydrophobicContact CD1-CG1 3.78Å; L263-V279 HydrophobicContact CD1-CG2 3.53Å; A274-V279 HydrophobicContact CB-CG2 4.04Å; T275-V279 WeakPolarHBondContact O-CG2 3.26Å; T275-V279 PolarHBondContact O-N 2.94Å; P276-V279 PolarHBondContact O-N 3.42Å; G277-V279 VanDerWaalsContact C-N 3.33Å; G277-V279 PolarHBondContact O-N 2.94Å; V279-E281 VanDerWaalsContact C-N 3.29Å; V279-E281 PolarHBondContact O-N 2.86Å; V279-L282 PolarHBondContact O-N 3.47Å; V279-V283 HydrophobicContact CG1-CG2 4.1Å; V279-V283 WeakPolarHBondContact O-CB 3.31Å; V279-V283 PolarHBondContact O-N 2.84Å; V279-F288 HydrophobicContact CG1-CD2 4.22Å; V279-Y291 HydrophobicContact CB-CE1 4.37Å; V279-Y291 HydrophobicContact CG1-CD1 4.09Å; V279-Y291 HydrophobicContact CG1-CE1 4.26Å; V279-Y291 HydrophobicContact CG1-CG 4.26Å; V279-Y291 HydrophobicContact CG2-CE1 4.41Å
280K89.4Confident87.8Confident139 Ų13960.2 Ų60.260%0.60434%0.339SS*.Hα-helixtrans-63-33.5177.9-169.1179.4178.3-177.10113P276 G277 F288P276-K280 WeakPolarHBondContact O-CB 3.44Å; P276-K280 PolarHBondContact O-N 3.41Å; G277-K280 PolarHBondContact O-N 2.98Å; K280-F288 HydrophobicContact CB-CD2 3.81Å; K280-F288 HydrophobicContact CB-CE2 3.58Å; K280-F288 HydrophobicContact CB-CG 4.37Å; K280-F288 HydrophobicContact CB-CZ 3.96Å; K280-F288 HydrophobicContact CD-CE1 4.21Å; K280-F288 HydrophobicContact CD-CZ 4.21Å; K280-F288 HydrophobicContact CG-CD1 4.31Å; K280-F288 HydrophobicContact CG-CD2 4.24Å; K280-F288 HydrophobicContact CG-CE1 4.25Å; K280-F288 HydrophobicContact CG-CE2 4.18Å; K280-F288 HydrophobicContact CG-CG 4.31Å; K280-F288 HydrophobicContact CG-CZ 4.19Å
281E88.9Confident87.8Confident119 Ų11959.6 Ų59.656%0.55633%0.333SS*.Hα-helixtrans-68.1-34.9177.7-170.5-175.915400112.1K244 G277 Q278 V279K244-E281 IonicContact NZ-OE1 2.74Å; K244-E281 PolarHBondContact NZ-OE1 2.83Å; G277-E281 PolarHBondContact O-N 2.96Å; Q278-E281 PolarHBondContact O-N 3.37Å; V279-E281 VanDerWaalsContact C-N 3.29Å; V279-E281 PolarHBondContact O-N 2.86Å
282L88.4Confident87.9Confident18 Ų1858.5 Ų58.59%0.09432%0.322CS..Hα-helixtrans-95.1-33.7-173.4-68.6-173.2000114.9M233 K244 L247 K248 F251 Q278 V279M233-L282 HydrophobicContact CE-CD1 3.23Å; M233-L282 HydrophobicContact CE-CD2 4.13Å; M233-L282 HydrophobicContact CE-CG 3.59Å; M233-L282 HydrophobicContact SD-CD1 4.1Å; M233-L282 HydrophobicContact SD-CD2 3.86Å; M233-L282 HydrophobicContact SD-CG 3.9Å; K244-L282 HydrophobicContact CB-CD2 3.72Å; K244-L282 HydrophobicContact CD-CD2 4.27Å; K244-L282 HydrophobicContact CG-CD2 3.84Å; L247-L282 HydrophobicContact CB-CD1 3.44Å; L247-L282 VanDerWaalsContact CB-CD1 3.44Å; L247-L282 HydrophobicContact CD1-CD1 4.32Å; K248-L282 HydrophobicContact CB-CB 4.37Å; K248-L282 WeakPolarHBondContact CD-O 3.01Å; K248-L282 WeakPolarHBondContact CG-O 3.49Å; F251-L282 HydrophobicContact CD2-CB 4.4Å; F251-L282 HydrophobicContact CD2-CD1 3.91Å; F251-L282 HydrophobicContact CE2-CD1 3.75Å; Q278-L282 PolarHBondContact O-N 3.43Å; V279-L282 PolarHBondContact O-N 3.47Å
283V89.1Confident87.9Confident10 Ų1066.3 Ų66.36%0.06135%0.35CS..SBendtrans-101.4145.4-169.3-179.70000110.5F251 I255 V279 L287F251-V283 HydrophobicContact CB-CG2 3.77Å; F251-V283 HydrophobicContact CD2-CG2 4.34Å; I255-V283 HydrophobicContact CD1-CG1 4.11Å; I255-V283 HydrophobicContact CD1-CG2 4.19Å; V279-V283 HydrophobicContact CG1-CG2 4.1Å; V279-V283 WeakPolarHBondContact O-CB 3.31Å; V279-V283 PolarHBondContact O-N 2.84Å; V283-L287 HydrophobicContact CG1-CB 3.24Å; V283-L287 HydrophobicContact CG1-CD1 4.04Å; V283-L287 HydrophobicContact CG1-CG 4.28Å
284E90.5Very high87.8Confident116 Ų11666 Ų6654%0.54235%0.346SS..  trans-62.5152.9177.4-63.7179.3-174.400112.4E286 L287 F288E284-E286 PolarHBondContact O-N 3.46Å; E284-E286 VanDerWaalsContact O-N 3.12Å; E284-L287 PolarHBondContact O-N 2.81Å; E284-L287 VanDerWaalsContact O-N 3.11Å; E284-F288 PolarHBondContact O-N 3.39Å
285A89.7Confident87.7Confident85 Ų8568 Ų6870%0.70236%0.356SS*.Hα-helixtrans-56.2-34.9-173.400000114A289A285-A289 WeakPolarHBondContact O-CB 3.36Å; A285-A289 PolarHBondContact O-N 2.86Å
286E88.3Confident87.7Confident164 Ų16470.1 Ų70.177%0.76637%0.365SS*.Hα-helixtrans-69.4-45179-173.9173.7-174.700112.2E284 A289 R290E284-E286 PolarHBondContact O-N 3.46Å; E284-E286 VanDerWaalsContact O-N 3.12Å; E286-A289 PolarHBondContact O-N 3.42Å; E286-R290 PolarHBondContact O-N 3.17Å; E286-R290 VanDerWaalsContact O-N 3.1Å
287L87.1Confident87.6Confident34 Ų3470.8 Ų70.818%0.17836%0.362CS..Hα-helixtrans-69.1-36.2176.3-74.9179.4000111.4E252 I255 V283 E284 R290 Y291E252-L287 HydrophobicContact CB-CD1 4.27Å; E252-L287 HydrophobicContact CG-CD1 3.73Å; I255-L287 HydrophobicContact CG2-CD2 4.47Å; V283-L287 HydrophobicContact CG1-CB 3.24Å; V283-L287 HydrophobicContact CG1-CD1 4.04Å; V283-L287 HydrophobicContact CG1-CG 4.28Å; E284-L287 PolarHBondContact O-N 2.81Å; E284-L287 VanDerWaalsContact O-N 3.11Å; L287-R290 WeakPolarHBondContact O-CB 3.36Å; L287-R290 PolarHBondContact O-N 3.15Å; L287-Y291 PolarHBondContact O-N 3.04Å
288F90Very high87.5Confident38 Ų3869.3 Ų69.317%0.16734%0.344CS..Hα-helixtrans-63.3-42.1172.6-177.5-98.7000112P276 V279 K280 E284 R290 Y291 D292P276-F288 WeakPolarHBondContact O-CE2 3.32Å; V279-F288 HydrophobicContact CG1-CD2 4.22Å; K280-F288 HydrophobicContact CB-CD2 3.81Å; K280-F288 HydrophobicContact CB-CE2 3.58Å; K280-F288 HydrophobicContact CB-CG 4.37Å; K280-F288 HydrophobicContact CB-CZ 3.96Å; K280-F288 HydrophobicContact CD-CE1 4.21Å; K280-F288 HydrophobicContact CD-CZ 4.21Å; K280-F288 HydrophobicContact CG-CD1 4.31Å; K280-F288 HydrophobicContact CG-CD2 4.24Å; K280-F288 HydrophobicContact CG-CE1 4.25Å; K280-F288 HydrophobicContact CG-CE2 4.18Å; K280-F288 HydrophobicContact CG-CG 4.31Å; K280-F288 HydrophobicContact CG-CZ 4.19Å; E284-F288 PolarHBondContact O-N 3.39Å; F288-R290 VanDerWaalsContact C-N 3.25Å; F288-R290 PolarHBondContact O-N 2.98Å; F288-Y291 HydrophobicContact CD2-CD1 4.11Å; F288-Y291 AromaticContact CE2-CD1 3.97Å; F288-Y291 HydrophobicContact CE2-CD1 3.97Å; F288-Y291 HydrophobicContact CE2-CE1 4.31Å; F288-Y291 WeakPolarHBondContact O-CB 3.14Å; F288-Y291 PolarHBondContact O-N 3.02Å; F288-Y291 VanDerWaalsContact O-N 3.16Å; F288-D292 WeakPolarHBondContact O-CB 3.32Å; F288-D292 PolarHBondContact O-N 3.17Å
289A87.9Confident87.3Confident48 Ų4871.5 Ų71.540%0.39736%0.359SS..Hα-helixtrans-63.5-33.1175.400000112.4A285 E286 R293A285-A289 WeakPolarHBondContact O-CB 3.36Å; A285-A289 PolarHBondContact O-N 2.86Å; E286-A289 PolarHBondContact O-N 3.42Å; A289-R293 WeakPolarHBondContact O-CB 3.43Å; A289-R293 PolarHBondContact O-N 3.06Å; A289-R293 VanDerWaalsContact O-N 3.15Å
290R87.4Confident87.2Confident102 Ų10273 Ų7339%0.38537%0.367SS..Hα-helixtrans-68.1-46.1171.3179.2175.3170169.3-5.2111.4I255 R256 E286 L287 F288 R293 L294I255-R290 HydrophobicContact CG2-CB 4.46Å; I255-R290 HydrophobicContact CG2-CG 4.25Å; R256-R290 PolarHBondContact O-NH2 3.19Å; E286-R290 PolarHBondContact O-N 3.17Å; E286-R290 VanDerWaalsContact O-N 3.1Å; L287-R290 WeakPolarHBondContact O-CB 3.36Å; L287-R290 PolarHBondContact O-N 3.15Å; F288-R290 VanDerWaalsContact C-N 3.25Å; F288-R290 PolarHBondContact O-N 2.98Å; R290-R293 PolarHBondContact O-N 3.18Å; R290-L294 HydrophobicContact CG-CD1 3.83Å; R290-L294 HydrophobicContact CG-CG 4.37Å; R290-L294 WeakPolarHBondContact O-CB 3.38Å; R290-L294 VanDerWaalsContact O-CG 3.25Å; R290-L294 WeakPolarHBondContact O-CG 3.35Å; R290-L294 PolarHBondContact O-N 2.79Å
291Y87.7Confident86.9Confident7 Ų770.6 Ų70.63%0.02736%0.361CS..Hα-helixtrans-56.3-49.8174.7166.7-102.1000111.7I255 V260 L263 V279 L287 F288 R293 L294 L295I255-Y291 HydrophobicContact CD1-CD2 4.45Å; I255-Y291 HydrophobicContact CD1-CG 4.4Å; I255-Y291 HydrophobicContact CG1-CD2 4.2Å; V260-Y291 HydrophobicContact CB-CD2 4.47Å; V260-Y291 HydrophobicContact CG1-CD2 4.28Å; L263-Y291 HydrophobicContact CD1-CD2 3.96Å; L263-Y291 HydrophobicContact CD1-CE2 3.7Å; L263-Y291 HydrophobicContact CG-CE2 4.04Å; V279-Y291 HydrophobicContact CB-CE1 4.37Å; V279-Y291 HydrophobicContact CG1-CD1 4.09Å; V279-Y291 HydrophobicContact CG1-CE1 4.26Å; V279-Y291 HydrophobicContact CG1-CG 4.26Å; V279-Y291 HydrophobicContact CG2-CE1 4.41Å; L287-Y291 PolarHBondContact O-N 3.04Å; F288-Y291 HydrophobicContact CD2-CD1 4.11Å; F288-Y291 AromaticContact CE2-CD1 3.97Å; F288-Y291 HydrophobicContact CE2-CD1 3.97Å; F288-Y291 HydrophobicContact CE2-CE1 4.31Å; F288-Y291 WeakPolarHBondContact O-CB 3.14Å; F288-Y291 PolarHBondContact O-N 3.02Å; F288-Y291 VanDerWaalsContact O-N 3.16Å; Y291-R293 PolarHBondContact O-N 2.95Å; Y291-L294 PolarHBondContact O-N 2.82Å; Y291-L295 HydrophobicContact CE1-CD2 4.13Å; Y291-L295 VanDerWaalsContact O-CB 3.31Å; Y291-L295 WeakPolarHBondContact O-CB 3.48Å; Y291-L295 PolarHBondContact O-N 2.8Å
292D87.9Confident86.5Confident89 Ų8971.7 Ų71.748%0.47637%0.37SS..Hα-helixtrans-60.1-44.4-179.7-17247.2000112F288 L294 L295 L296F288-D292 WeakPolarHBondContact O-CB 3.32Å; F288-D292 PolarHBondContact O-N 3.17Å; D292-L294 PolarHBondContact O-N 3.01Å; D292-L295 PolarHBondContact O-N 2.83Å; D292-L296 WeakPolarHBondContact O-CB 3.45Å; D292-L296 PolarHBondContact O-N 3.14Å
293R85.1Confident86.4Confident171 Ų17174.6 Ų74.665%0.64538%0.384SS*.Hα-helixtrans-61.5-45.2175.4-171.4-172-49.1164.58.3112.3A289 R290 Y291 L296 Q297A289-R293 WeakPolarHBondContact O-CB 3.43Å; A289-R293 PolarHBondContact O-N 3.06Å; A289-R293 VanDerWaalsContact O-N 3.15Å; R290-R293 PolarHBondContact O-N 3.18Å; Y291-R293 PolarHBondContact O-N 2.95Å; R293-L296 PolarHBondContact O-N 3.21Å; R293-Q297 VanDerWaalsContact O-CB 3.3Å; R293-Q297 WeakPolarHBondContact O-CB 3.35Å; R293-Q297 PolarHBondContact O-N 2.86Å
294L84.9Confident85.7Confident40 Ų4079 Ų7921%0.20942%0.422CS..Hα-helixtrans-71.3-35.9-178.5-69.9172.4000111.5V260 R290 Y291 D292 Q297 S298V260-L294 HydrophobicContact CB-CB 3.93Å; V260-L294 HydrophobicContact CG1-CB 3.69Å; V260-L294 HydrophobicContact CG1-CD1 3.53Å; V260-L294 HydrophobicContact CG1-CG 4.26Å; V260-L294 HydrophobicContact CG2-CB 3.4Å; V260-L294 HydrophobicContact CG2-CD1 4.42Å; V260-L294 HydrophobicContact CG2-CG 4.43Å; R290-L294 HydrophobicContact CG-CD1 3.83Å; R290-L294 HydrophobicContact CG-CG 4.37Å; R290-L294 WeakPolarHBondContact O-CB 3.38Å; R290-L294 VanDerWaalsContact O-CG 3.25Å; R290-L294 WeakPolarHBondContact O-CG 3.35Å; R290-L294 PolarHBondContact O-N 2.79Å; Y291-L294 PolarHBondContact O-N 2.82Å; D292-L294 PolarHBondContact O-N 3.01Å; L294-Q297 PolarHBondContact O-N 2.83Å; L294-S298 WeakPolarHBondContact O-CB 3.13Å; L294-S298 PolarHBondContact O-N 2.98Å
295L86.3Confident85.4Confident46 Ų4676.6 Ų76.624%0.24141%0.412CS..Hα-helixtrans-63-46.9173.4-179.664.5000110.5Y291 D292 S298 T299Y291-L295 HydrophobicContact CE1-CD2 4.13Å; Y291-L295 VanDerWaalsContact O-CB 3.31Å; Y291-L295 WeakPolarHBondContact O-CB 3.48Å; Y291-L295 PolarHBondContact O-N 2.8Å; D292-L295 PolarHBondContact O-N 2.83Å; L295-S298 PolarHBondContact O-N 3.27Å; L295-T299 WeakPolarHBondContact O-CB 3.32Å; L295-T299 PolarHBondContact O-N 2.87Å; L295-T299 PolarHBondContact O-OG1 2.86Å
296L85.6Confident85.3Confident102 Ų10273.4 Ų73.453%0.53438%0.384SS..Hα-helixtrans-60.5-48.9174.8177.862.2000111.2D292 R293 S298 T299 L300D292-L296 WeakPolarHBondContact O-CB 3.45Å; D292-L296 PolarHBondContact O-N 3.14Å; R293-L296 PolarHBondContact O-N 3.21Å; L296-S298 PolarHBondContact O-N 2.68Å; L296-T299 PolarHBondContact O-N 3.27Å; L296-L300 HydrophobicContact CD1-CD1 3.95Å; L296-L300 HydrophobicContact CD1-CG 4.1Å; L296-L300 HydrophobicContact CG-CD1 3.87Å; L296-L300 HydrophobicContact CG-CG 4.42Å; L296-L300 WeakPolarHBondContact O-CB 3.45Å; L296-L300 VanDerWaalsContact O-CG 3.25Å; L296-L300 WeakPolarHBondContact O-CG 3.08Å; L296-L300 PolarHBondContact O-N 3.03Å
297Q83.7Confident85.3Confident83 Ų8366.5 Ų66.539%0.38835%0.353SS..Hα-helixtrans-58.5-48.2178.7-176.5176.7-9.700111.4R293 L294 T299 L300 D301 Y308R293-Q297 VanDerWaalsContact O-CB 3.3Å; R293-Q297 WeakPolarHBondContact O-CB 3.35Å; R293-Q297 PolarHBondContact O-N 2.86Å; L294-Q297 PolarHBondContact O-N 2.83Å; Q297-T299 VanDerWaalsContact C-N 3.29Å; Q297-T299 PolarHBondContact O-N 3.15Å; Q297-L300 PolarHBondContact O-N 3.31Å; Q297-D301 WeakPolarHBondContact O-CB 3.39Å; Q297-D301 PolarHBondContact O-N 3.08Å; Q297-Y308 PolarHBondContact O-OH 3.46Å
298S83.6Confident85.4Confident17 Ų1767.1 Ų67.112%0.11935%0.354CS..Hα-helixtrans-64.1-34.8178.2-173.60000112.6Q261 L294 L295 L296 L302Q261-S298 WeakPolarHBondContact CG-OG 3.29Å; L294-S298 WeakPolarHBondContact O-CB 3.13Å; L294-S298 PolarHBondContact O-N 2.98Å; L295-S298 PolarHBondContact O-N 3.27Å; L296-S298 PolarHBondContact O-N 2.68Å; S298-L302 WeakPolarHBondContact O-CG 3.44Å; S298-L302 PolarHBondContact O-N 2.93Å
299T84.4Confident85.4Confident74 Ų7465.4 Ų65.445%0.45435%0.346SS..Hα-helixtrans-67.3-42.4176.6-56.40000110.5L295 L296 Q297 L302L295-T299 WeakPolarHBondContact O-CB 3.32Å; L295-T299 PolarHBondContact O-N 2.87Å; L295-T299 PolarHBondContact O-OG1 2.86Å; L296-T299 PolarHBondContact O-N 3.27Å; Q297-T299 VanDerWaalsContact C-N 3.29Å; Q297-T299 PolarHBondContact O-N 3.15Å; T299-L302 PolarHBondContact O-N 3.45Å
300L85.8Confident85.5Confident30 Ų3065.2 Ų65.216%0.15734%0.341CS..Hα-helixtrans-68.3-35.5176.9-69.2172.1000112.4L296 Q297 L302 M303 V306 P317L296-L300 HydrophobicContact CD1-CD1 3.95Å; L296-L300 HydrophobicContact CD1-CG 4.1Å; L296-L300 HydrophobicContact CG-CD1 3.87Å; L296-L300 HydrophobicContact CG-CG 4.42Å; L296-L300 WeakPolarHBondContact O-CB 3.45Å; L296-L300 VanDerWaalsContact O-CG 3.25Å; L296-L300 WeakPolarHBondContact O-CG 3.08Å; L296-L300 PolarHBondContact O-N 3.03Å; Q297-L300 PolarHBondContact O-N 3.31Å; L300-L302 PolarHBondContact O-N 3.22Å; L300-M303 HydrophobicContact CD2-SD 4.14Å; L300-M303 WeakPolarHBondContact O-CB 3.38Å; L300-M303 PolarHBondContact O-N 3.43Å; L300-V306 HydrophobicContact CB-CG1 4.27Å; L300-V306 HydrophobicContact CD2-CG1 4.5Å; L300-V306 HydrophobicContact CD2-CG2 4.19Å; L300-P317 HydrophobicContact CD1-CB 3.91Å; L300-P317 HydrophobicContact CD1-CG 3.73Å
301D82.4Confident85.5Confident89 Ų8965.7 Ų65.748%0.47634%0.343SS..Hα-helixtrans-63.9-26177.1-72.7-15.5000112.9Q297 M303 Y308Q297-D301 WeakPolarHBondContact O-CB 3.39Å; Q297-D301 PolarHBondContact O-N 3.08Å; D301-M303 VanDerWaalsContact C-N 3.29Å; D301-Y308 WeakPolarHBondContact OD1-CE2 3.39Å; D301-Y308 PolarHBondContact OD1-OH 3.34Å
302L81.9Confident85.5Confident143 Ų14371 Ų7175%0.74938%0.377SS*.THydrogen-bonded Turntrans-77-16.5175.3-68168.6000112.7S298 T299 L300S298-L302 WeakPolarHBondContact O-CG 3.44Å; S298-L302 PolarHBondContact O-N 2.93Å; T299-L302 PolarHBondContact O-N 3.45Å; L300-L302 PolarHBondContact O-N 3.22Å
303M84.4Confident85.5Confident78 Ų7872.3 Ų72.338%0.38439%0.392SS..  trans-86.7121-177.8-62.7-179.864.900110.5L300 D301 D305 V306L300-M303 HydrophobicContact CD2-SD 4.14Å; L300-M303 WeakPolarHBondContact O-CB 3.38Å; L300-M303 PolarHBondContact O-N 3.43Å; D301-M303 VanDerWaalsContact C-N 3.29Å; M303-D305 WeakPolarHBondContact CB-OD1 3.5Å; M303-D305 PolarHBondContact O-N 3.05Å; M303-V306 HydrophobicContact CB-CB 4.29Å; M303-V306 HydrophobicContact CB-CG2 3.69Å; M303-V306 HydrophobicContact CE-CG2 4.24Å; M303-V306 PolarHBondContact O-N 3.41Å; M303-V306 HydrophobicContact SD-CG2 4.19Å
304A76.2Confident85.7Confident104 Ų10465.6 Ų65.686%0.8637%0.372SS*.THydrogen-bonded Turntrans-70.3-15.7-17600000114.2
305D84.4Confident85.8Confident65 Ų6569.6 Ų69.635%0.34839%0.389SS..THydrogen-bonded Turntrans-98.54.3-179.361.3-26.6000113.3M303 M319 Q320M303-D305 WeakPolarHBondContact CB-OD1 3.5Å; M303-D305 PolarHBondContact O-N 3.05Å; D305-M319 WeakPolarHBondContact OD2-CE 3.44Å; D305-Q320 WeakPolarHBondContact O-CB 3.31Å; D305-Q320 PolarHBondContact O-N 3.41Å
306V86.6Confident85.9Confident17 Ų1770.5 Ų70.510%0.10339%0.394CS..EExtended strand (participates in β ladder)trans-103.5128.1178-179.10000110.7L300 M303 P317 M319L300-V306 HydrophobicContact CB-CG1 4.27Å; L300-V306 HydrophobicContact CD2-CG1 4.5Å; L300-V306 HydrophobicContact CD2-CG2 4.19Å; M303-V306 HydrophobicContact CB-CB 4.29Å; M303-V306 HydrophobicContact CB-CG2 3.69Å; M303-V306 HydrophobicContact CE-CG2 4.24Å; M303-V306 PolarHBondContact O-N 3.41Å; M303-V306 HydrophobicContact SD-CG2 4.19Å; V306-P317 HydrophobicContact CG1-CB 3.7Å; V306-M319 HydrophobicContact CG2-SD 3.9Å
307V87.4Confident86Confident20 Ų2068 Ų6812%0.12138%0.384CS..EExtended strand (participates in β ladder)trans-127.1139.1171.9-73.80000111.5V318 Q320 F336 T338V307-V318 HydrophobicContact CG2-CB 4.45Å; V307-V318 WeakPolarHBondContact CG2-O 3.24Å; V307-V318 PolarHBondContact N-O 3.23Å; V307-V318 WeakPolarHBondContact O-CA 3.3Å; V307-V318 WeakPolarHBondContact O-CB 3.25Å; V307-V318 PolarHBondContact O-N 2.95Å; V307-Q320 HydrophobicContact CG2-CB 4.38Å; V307-F336 HydrophobicContact CG2-CE2 4.21Å; V307-F336 HydrophobicContact CG2-CZ 4.23Å; V307-T338 HydrophobicContact CG2-CG2 3.91Å
308Y89.8Confident86.3Confident47 Ų4764.8 Ų64.818%0.18437%0.37CS..EExtended strand (participates in β ladder)trans-84.5143.3179.6-64.9-85.6000112.6Q297 D301 Q315 P317Q297-Y308 PolarHBondContact O-OH 3.46Å; D301-Y308 WeakPolarHBondContact OD1-CE2 3.39Å; D301-Y308 PolarHBondContact OD1-OH 3.34Å; Y308-Q315 WeakPolarHBondContact CD1-O 3.23Å; Y308-P317 HydrophobicContact CD1-CB 4.25Å; Y308-P317 HydrophobicContact CE1-CB 4.02Å
309C90.9Very high86.3Confident2 Ų269.4 Ų69.41%0.01439%0.391CS..  trans-56.7125.9170.6-175.90000110.2R311 C314 Q315 L316 C329C309-R311 PolarHBondContact O-N 2.98Å; C309-R311 VanDerWaalsContact O-N 3.16Å; C309-C314 HydrophobicContact CB-CB 4.3Å; C309-Q315 WeakPolarHBondContact O-CA 3.31Å; C309-L316 PolarHBondContact N-O 3.08Å; C309-C329 HydrophobicContact CB-CB 4.15Å
310P89.1Confident86.2Confident43 Ų4368.4 Ų68.428%0.27938%0.381SS..SBendtrans-73.3-8-174.830.3-38.3000114.1P312 F334 F336 R341P310-P312 WeakPolarHBondContact O-CD 3.36Å; P310-F334 HydrophobicContact CG-CD1 4.01Å; P310-F334 HydrophobicContact CG-CE1 3.69Å; P310-F336 HydrophobicContact CG-CB 4.01Å; P310-F336 HydrophobicContact CG-CD1 4.44Å; P310-F336 HydrophobicContact CG-CD2 4.11Å; P310-F336 HydrophobicContact CG-CG 3.95Å; P310-R341 HydrophobicContact CB-CB 4.03Å; P310-R341 VanDerWaalsContact CB-O 3.26Å; P310-R341 WeakPolarHBondContact CB-O 3.37Å; P310-R341 VanDerWaalsContact CG-O 3.31Å; P310-R341 WeakPolarHBondContact CG-O 3.3Å
311R88.7Confident85.9Confident113 Ų11373.5 Ų73.543%0.42640%0.404SS..  trans-69.9122.6175.9-78.9-173.5-179.7-111.51.6109.4C309 C313 C314 Q315 F334C309-R311 PolarHBondContact O-N 2.98Å; C309-R311 VanDerWaalsContact O-N 3.16Å; R311-C313 PolarHBondContact O-N 3.37Å; R311-C313 VanDerWaalsContact O-N 3.11Å; R311-C314 HydrophobicContact CB-CB 3.93Å; R311-C314 PolarHBondContact O-N 2.88Å; R311-Q315 PolarHBondContact O-N 3.17Å; R311-Q315 VanDerWaalsContact O-N 3.09Å; R311-F334 HydrophobicContact CG-CD1 4.3Å
312P87.3Confident85.6Confident117 Ų11775.6 Ų75.676%0.7642%0.422SS*.THydrogen-bonded Turntrans-58.2-28179.8-25.834.7000113.8P310P310-P312 WeakPolarHBondContact O-CD 3.36Å
313C87.3Confident85.1Confident117 Ų11772.8 Ų72.879%0.79143%0.428SS*.THydrogen-bonded Turntrans-85.1-3.8177.457.80000114.7R311R311-C313 PolarHBondContact O-N 3.37Å; R311-C313 VanDerWaalsContact O-N 3.11Å
314C89.1Confident84.8Confident31 Ų3171.6 Ų71.621%0.20943%0.427CS..THydrogen-bonded Turntrans-118.1-64.1-177-175.90000111.6C309 R311 L316 C329 C332C309-C314 HydrophobicContact CB-CB 4.3Å; R311-C314 HydrophobicContact CB-CB 3.93Å; R311-C314 PolarHBondContact O-N 2.88Å; C314-L316 PolarHBondContact O-N 2.94Å; C314-C329 PolarHBondContact SG-SG 3.46Å; C314-C332 HydrophobicContact CB-CB 4.45Å
315Q87.3Confident84.9Confident124 Ų12469 Ų6958%0.57940%0.401SS*.  trans44.727.2-178.1-62.7-172.2-15.900115.3Y308 C309 R311Y308-Q315 WeakPolarHBondContact CD1-O 3.23Å; C309-Q315 WeakPolarHBondContact O-CA 3.31Å; R311-Q315 PolarHBondContact O-N 3.17Å; R311-Q315 VanDerWaalsContact O-N 3.09Å
316L87.9Confident85.1Confident64 Ų6469.8 Ų69.834%0.33540%0.403SS..  trans-71.7136.8177.4-165.376.6000109.8C309 C314 S330C309-L316 PolarHBondContact N-O 3.08Å; C314-L316 PolarHBondContact O-N 2.94Å; L316-S330 WeakPolarHBondContact CD2-OG 3.24Å
317P88.3Confident85.2Confident50 Ų5069.1 Ų69.133%0.32540%0.4SS..EExtended strand (participates in β ladder)trans-63.6136.5172.327.3-36000110.8L300 V306 Y308L300-P317 HydrophobicContact CD1-CB 3.91Å; L300-P317 HydrophobicContact CD1-CG 3.73Å; V306-P317 HydrophobicContact CG1-CB 3.7Å; Y308-P317 HydrophobicContact CD1-CB 4.25Å; Y308-P317 HydrophobicContact CE1-CB 4.02Å
318V89.2Confident85.3Confident15 Ų1572.8 Ų72.89%0.09142%0.417CS..EExtended strand (participates in β ladder)trans-127.1130.2179.1-177.90000107.9V307 I328 C329 F336V307-V318 HydrophobicContact CG2-CB 4.45Å; V307-V318 WeakPolarHBondContact CG2-O 3.24Å; V307-V318 PolarHBondContact N-O 3.23Å; V307-V318 WeakPolarHBondContact O-CA 3.3Å; V307-V318 WeakPolarHBondContact O-CB 3.25Å; V307-V318 PolarHBondContact O-N 2.95Å; V318-I328 WeakPolarHBondContact CG1-O 3.43Å; V318-C329 HydrophobicContact CG2-CB 4.16Å; V318-F336 HydrophobicContact CB-CZ 4.28Å; V318-F336 HydrophobicContact CG2-CE1 4.14Å; V318-F336 HydrophobicContact CG2-CZ 4.18Å
319M84.5Confident85.4Confident115 Ų11570.5 Ų70.557%0.56741%0.409SS*.EExtended strand (participates in β ladder)trans-71.9131.3175-61.3-62.2-65.600109.9D305 V306D305-M319 WeakPolarHBondContact OD2-CE 3.44Å; V306-M319 HydrophobicContact CG2-SD 3.9Å
320Q81.8Confident85.3Confident53 Ų5375 Ų7525%0.24844%0.44CS..PPolyproline II helixtrans-92.4125.2174.7-179170.7-1.200110.3D305 V307 C324 T338D305-Q320 WeakPolarHBondContact O-CB 3.31Å; D305-Q320 PolarHBondContact O-N 3.41Å; V307-Q320 HydrophobicContact CG2-CB 4.38Å; Q320-C324 PolarHBondContact NE2-O 3.28Å; Q320-C324 VanDerWaalsContact NE2-O 3.13Å; Q320-T338 HydrophobicContact CG-CG2 4.09Å; Q320-T338 PolarHBondContact NE2-OG1 2.9Å; Q320-T338 VanDerWaalsContact NE2-OG1 3.1Å
321E79.8Confident85.3Confident137 Ų13777 Ų7764%0.6446%0.455SS*.PPolyproline II helixtrans-73.6133.6169.6-71.5-177.7177.100111.1G323 C324E321-G323 PolarHBondContact O-N 3.14Å; E321-C324 HydrophobicContact CB-CB 4.06Å; E321-C324 PolarHBondContact O-N 3.43Å; E321-C324 VanDerWaalsContact O-N 3.1Å
322P75.1Confident85.5Confident132 Ų13273.8 Ų73.886%0.85745%0.45SS*.THydrogen-bonded Turntrans-56.4127.5176.6-23.632.3000111.7C324P322-C324 VanDerWaalsContact C-N 3.27Å; P322-C324 PolarHBondContact O-N 3.44Å
323G71.4Confident85.6Confident85 Ų8574.2 Ų74.288%0.87645%0.445SS*.THydrogen-bonded Turntrans83.1-5.7179.400000115.2E321E321-G323 PolarHBondContact O-N 3.14Å
324C78.1Confident85.9Confident52 Ų5270.6 Ų70.635%0.35142%0.416SS..  trans-101.5137.6174-71.40000111.2Q320 E321 P322Q320-C324 PolarHBondContact NE2-O 3.28Å; Q320-C324 VanDerWaalsContact NE2-O 3.13Å; E321-C324 HydrophobicContact CB-CB 4.06Å; E321-C324 PolarHBondContact O-N 3.43Å; E321-C324 VanDerWaalsContact O-N 3.1Å; P322-C324 VanDerWaalsContact C-N 3.27Å; P322-C324 PolarHBondContact O-N 3.44Å
325T80.3Confident85.9Confident50 Ų5071 Ų7131%0.30742%0.422SS..  trans-98.84176.2580000112.7C337 T338 L339T325-C337 CarbonylContact O-C 3.56Å; T325-C337 WeakPolarHBondContact O-CA 3.36Å; T325-T338 PolarHBondContact O-N 2.84Å; T325-T338 PolarHBondContact O-OG1 2.97Å; T325-L339 HydrophobicContact CG2-CD1 3.74Å; T325-L339 HydrophobicContact CG2-CG 4.22Å
326M86.7Confident86.1Confident81 Ų8165.1 Ų65.140%0.39940%0.395SS..EExtended strand (participates in β ladder)trans-100126.8-178.7-171.6170.761.500110I328 Y344M326-I328 HydrophobicContact CE-CD1 4.28Å; M326-I328 HydrophobicContact CG-CG1 4.34Å; M326-I328 HydrophobicContact SD-CD1 4.47Å; M326-Y344 HydrophobicContact CB-CD2 3.75Å; M326-Y344 HydrophobicContact CB-CE2 3.53Å; M326-Y344 HydrophobicContact CB-CG 4.37Å; M326-Y344 HydrophobicContact CG-CD1 4.25Å; M326-Y344 HydrophobicContact CG-CD2 3.84Å; M326-Y344 HydrophobicContact CG-CE1 4.38Å; M326-Y344 HydrophobicContact CG-CE2 4.01Å; M326-Y344 HydrophobicContact CG-CG 3.96Å; M326-Y344 HydrophobicContact SD-CD1 3.9Å; M326-Y344 HydrophobicContact SD-CD2 4.49Å; M326-Y344 HydrophobicContact SD-CE1 3.81Å; M326-Y344 HydrophobicContact SD-CE2 4.43Å; M326-Y344 HydrophobicContact SD-CG 4.23Å
327G88.6Confident86Confident3 Ų362.1 Ų62.13%0.03138%0.379CS..EExtended strand (participates in β ladder)trans-116.6133.3167.200000109.9A335 F336G327-A335 WeakPolarHBondContact O-CA 3.49Å; G327-F336 PolarHBondContact N-O 2.9Å; G327-F336 VanDerWaalsContact O-CD1 3.26Å; G327-F336 WeakPolarHBondContact O-CD1 3.47Å; G327-F336 PolarHBondContact O-N 2.86Å
328I90.2Very high85.8Confident97 Ų9760.2 Ų60.250%0.49737%0.366SS..EExtended strand (participates in β ladder)trans-115.2117.8175.2-58175.8000107.9V318 M326 S330 A335V318-I328 WeakPolarHBondContact CG1-O 3.43Å; M326-I328 HydrophobicContact CE-CD1 4.28Å; M326-I328 HydrophobicContact CG-CG1 4.34Å; M326-I328 HydrophobicContact SD-CD1 4.47Å; I328-S330 PolarHBondContact O-N 2.81Å; I328-A335 HydrophobicContact CG1-CB 4.32Å
329C91.4Very high85.3Confident0 Ų061.5 Ų61.50%037%0.372CS..  trans-76123.4175.7178.80000110.7C309 C314 V318 S331 N333 F334C309-C329 HydrophobicContact CB-CB 4.15Å; C314-C329 PolarHBondContact SG-SG 3.46Å; V318-C329 HydrophobicContact CG2-CB 4.16Å; C329-S331 VanDerWaalsContact C-N 3.3Å; C329-S331 PolarHBondContact O-N 2.92Å; C329-N333 WeakPolarHBondContact O-CA 3.17Å; C329-N333 PolarHBondContact O-N 2.93Å; C329-F334 PolarHBondContact N-O 2.98Å; C329-F334 VanDerWaalsContact N-O 3.1Å
330S89.3Confident84.9Confident96 Ų9656.9 Ų56.967%0.67135%0.351SS*.THydrogen-bonded Turntrans-68.1-23.2179.552.10000114.6L316 I328L316-S330 WeakPolarHBondContact CD2-OG 3.24Å; I328-S330 PolarHBondContact O-N 2.81Å
331S89.6Confident85Confident86 Ų8661.5 Ų61.560%0.60137%0.366SS*.THydrogen-bonded Turntrans-84.1-50.1179.4169.70000112.6C329C329-S331 VanDerWaalsContact C-N 3.3Å; C329-S331 PolarHBondContact O-N 2.92Å
332C92.6Very high85.2Confident45 Ų4559 Ų5930%0.30436%0.357SS..THydrogen-bonded Turntrans-105.21.5-174.670.10000114.2C314 F334C314-C332 HydrophobicContact CB-CB 4.45Å; C332-F334 PolarHBondContact O-N 2.77Å; C332-F334 WeakPolarHBondContact SG-CB 3.44Å
333N90.2Very high85.7Confident126 Ų12657.1 Ų57.167%0.67434%0.343SS*.  trans52.622.6-176.7-64.2-37.4000114.2C329 A335C329-N333 WeakPolarHBondContact O-CA 3.17Å; C329-N333 PolarHBondContact O-N 2.93Å; N333-A335 PolarHBondContact O-N 2.84Å
334F91.8Very high86.5Confident40 Ų4057.6 Ų57.618%0.17532%0.319CS..  trans-78.3116.7178.3-172.5-120.8000109.6P310 R311 C329 C332 F336 T343P310-F334 HydrophobicContact CG-CD1 4.01Å; P310-F334 HydrophobicContact CG-CE1 3.69Å; R311-F334 HydrophobicContact CG-CD1 4.3Å; C329-F334 PolarHBondContact N-O 2.98Å; C329-F334 VanDerWaalsContact N-O 3.1Å; C332-F334 PolarHBondContact O-N 2.77Å; C332-F334 WeakPolarHBondContact SG-CB 3.44Å; F334-F336 HydrophobicContact CD1-CB 3.87Å; F334-F336 HydrophobicContact CD1-CD1 4.16Å; F334-F336 HydrophobicContact CD1-CG 4.39Å; F334-F336 HydrophobicContact CE1-CB 3.64Å; F334-F336 HydrophobicContact CZ-CB 4.49Å; F334-F336 WeakPolarHBondContact O-CD1 3.34Å; F334-T343 HydrophobicContact CE2-CG2 3.84Å; F334-T343 HydrophobicContact CZ-CG2 3.81Å
335A90.9Very high86.6Confident40 Ų4057.4 Ų57.433%0.33131%0.313SS..EExtended strand (participates in β ladder)trans-85.6116.2170.600000109.8G327 I328 N333 Y344G327-A335 WeakPolarHBondContact O-CA 3.49Å; I328-A335 HydrophobicContact CG1-CB 4.32Å; N333-A335 PolarHBondContact O-N 2.84Å; A335-Y344 PolarHBondContact O-N 3.15Å
336F90.4Very high86.6Confident1 Ų156.5 Ų56.50%0.00431%0.314CS..EExtended strand (participates in β ladder)trans-128.1159.4-17765.4-82.4000111.7V307 P310 V318 G327 F334 L342V307-F336 HydrophobicContact CG2-CE2 4.21Å; V307-F336 HydrophobicContact CG2-CZ 4.23Å; P310-F336 HydrophobicContact CG-CB 4.01Å; P310-F336 HydrophobicContact CG-CD1 4.44Å; P310-F336 HydrophobicContact CG-CD2 4.11Å; P310-F336 HydrophobicContact CG-CG 3.95Å; V318-F336 HydrophobicContact CB-CZ 4.28Å; V318-F336 HydrophobicContact CG2-CE1 4.14Å; V318-F336 HydrophobicContact CG2-CZ 4.18Å; G327-F336 PolarHBondContact N-O 2.9Å; G327-F336 VanDerWaalsContact O-CD1 3.26Å; G327-F336 WeakPolarHBondContact O-CD1 3.47Å; G327-F336 PolarHBondContact O-N 2.86Å; F334-F336 HydrophobicContact CD1-CB 3.87Å; F334-F336 HydrophobicContact CD1-CD1 4.16Å; F334-F336 HydrophobicContact CD1-CG 4.39Å; F334-F336 HydrophobicContact CE1-CB 3.64Å; F334-F336 HydrophobicContact CZ-CB 4.49Å; F334-F336 WeakPolarHBondContact O-CD1 3.34Å; F336-L342 CarbonylContact C-O 3.6Å; F336-L342 WeakPolarHBondContact CA-O 3.42Å; F336-L342 VanDerWaalsContact CB-O 3.32Å; F336-L342 WeakPolarHBondContact CB-O 3.46Å
337C86.9Confident86.1Confident0 Ų060 Ų600%034%0.339CS..EExtended strand (participates in β ladder)trans-81.5125.5170.5-179.20000109.6T325 L339 C340 R341 L342T325-C337 CarbonylContact O-C 3.56Å; T325-C337 WeakPolarHBondContact O-CA 3.36Å; C337-L339 PolarHBondContact O-N 2.86Å; C337-L339 VanDerWaalsContact O-N 3.16Å; C337-C340 VanDerWaalsContact CB-SG 3.51Å; C337-R341 VanDerWaalsContact O-CA 3.22Å; C337-R341 WeakPolarHBondContact O-CA 3.25Å; C337-R341 PolarHBondContact O-N 2.83Å; C337-L342 PolarHBondContact N-O 2.87Å
338T83Confident85.2Confident10 Ų1063.1 Ų63.16%0.06136%0.361CS..THydrogen-bonded Turntrans-62.7-21.3179.557.90000112.8V307 Q320 T325V307-T338 HydrophobicContact CG2-CG2 3.91Å; Q320-T338 HydrophobicContact CG-CG2 4.09Å; Q320-T338 PolarHBondContact NE2-OG1 2.9Å; Q320-T338 VanDerWaalsContact NE2-OG1 3.1Å; T325-T338 PolarHBondContact O-N 2.84Å; T325-T338 PolarHBondContact O-OG1 2.97Å
339L77.9Confident84.1Confident42 Ų4263 Ų6322%0.2237%0.366CS..THydrogen-bonded Turntrans-86.9-61.3-178.5-53.8178.9000112.6T325 C337 R378T325-L339 HydrophobicContact CG2-CD1 3.74Å; T325-L339 HydrophobicContact CG2-CG 4.22Å; C337-L339 PolarHBondContact O-N 2.86Å; C337-L339 VanDerWaalsContact O-N 3.16Å; L339-R378 HydrophobicContact CD1-CG 4.23Å; L339-R378 WeakPolarHBondContact CD1-O 3.12Å; L339-R378 HydrophobicContact CD2-CG 3.52Å; L339-R378 HydrophobicContact CG-CG 4.44Å
340C76.9Confident83.1Confident18 Ų1864.1 Ų64.112%0.12237%0.373CS..THydrogen-bonded Turntrans-87.1-9.7-175.869.80000113.7C337 L342 H345 C350C337-C340 VanDerWaalsContact CB-SG 3.51Å; C340-L342 PolarHBondContact O-N 2.97Å; C340-H345 PolarHBondContact SG-NE2 2.8Å; C340-H345 VanDerWaalsContact SG-NE2 3.35Å; C340-C350 HydrophobicContact CB-CB 3.85Å
341R84Confident82.2Confident150 Ų15068.2 Ų68.257%0.56638%0.379SS*.  trans59.320.2-177-60.7-170.5-174.9-176.81.1114.1P310 C337P310-R341 HydrophobicContact CB-CB 4.03Å; P310-R341 VanDerWaalsContact CB-O 3.26Å; P310-R341 WeakPolarHBondContact CB-O 3.37Å; P310-R341 VanDerWaalsContact CG-O 3.31Å; P310-R341 WeakPolarHBondContact CG-O 3.3Å; C337-R341 VanDerWaalsContact O-CA 3.22Å; C337-R341 WeakPolarHBondContact O-CA 3.25Å; C337-R341 PolarHBondContact O-N 2.83Å
342L83.9Confident81.1Confident86 Ų8665.8 Ų65.845%0.4536%0.361SS..SBendtrans-102.8179.8173.8-59.9175.5000111.1F336 C337 C340 Y344F336-L342 CarbonylContact C-O 3.6Å; F336-L342 WeakPolarHBondContact CA-O 3.42Å; F336-L342 VanDerWaalsContact CB-O 3.32Å; F336-L342 WeakPolarHBondContact CB-O 3.46Å; C337-L342 PolarHBondContact N-O 2.87Å; C340-L342 PolarHBondContact O-N 2.97Å; L342-Y344 PolarHBondContact O-N 3.5Å
343T86.1Confident79.8Confident92 Ų9267.3 Ų67.356%0.56437%0.369SS*.BIsolated β-bridgetrans-50.5134.2172.9480000111.3F334 H345F334-T343 HydrophobicContact CE2-CG2 3.84Å; F334-T343 HydrophobicContact CZ-CG2 3.81Å; T343-H345 PolarHBondContact O-CD2 3.47Å; T343-H345 PolarHBondContact O-N 3.04Å
344Y87.6Confident78.5Confident94 Ų9464.1 Ų64.137%0.36936%0.36SS..  trans-57.6131.7178.2-178.8-109.1000111.3M326 A335 L342M326-Y344 HydrophobicContact CB-CD2 3.75Å; M326-Y344 HydrophobicContact CB-CE2 3.53Å; M326-Y344 HydrophobicContact CB-CG 4.37Å; M326-Y344 HydrophobicContact CG-CD1 4.25Å; M326-Y344 HydrophobicContact CG-CD2 3.84Å; M326-Y344 HydrophobicContact CG-CE1 4.38Å; M326-Y344 HydrophobicContact CG-CE2 4.01Å; M326-Y344 HydrophobicContact CG-CG 3.96Å; M326-Y344 HydrophobicContact SD-CD1 3.9Å; M326-Y344 HydrophobicContact SD-CD2 4.49Å; M326-Y344 HydrophobicContact SD-CE1 3.81Å; M326-Y344 HydrophobicContact SD-CE2 4.43Å; M326-Y344 HydrophobicContact SD-CG 4.23Å; A335-Y344 PolarHBondContact O-N 3.15Å; L342-Y344 PolarHBondContact O-N 3.5Å
345H80.9Confident77.3Confident49 Ų4969.4 Ų69.423%0.22739%0.385CS..  trans-124.912-17150.564.7000113.3C340 T343 V347 S348 C350C340-H345 PolarHBondContact SG-NE2 2.8Å; C340-H345 VanDerWaalsContact SG-NE2 3.35Å; T343-H345 PolarHBondContact O-CD2 3.47Å; T343-H345 PolarHBondContact O-N 3.04Å; H345-V347 PolarHBondContact O-N 3.23Å; H345-S348 PolarHBondContact CE1-O 2.87Å; H345-S348 VanDerWaalsContact CE1-O 3.24Å; H345-S348 PolarHBondContact ND1-O 2.91Å; H345-S348 WeakPolarHBondContact O-CB 3.41Å; H345-S348 PolarHBondContact O-N 3.3Å; H345-S348 VanDerWaalsContact O-N 3.09Å; H345-S348 PolarHBondContact O-OG 3.2Å; H345-C350 PolarHBondContact CE1-SG 2.97Å; H345-C350 PolarHBondContact NE2-SG 3.45Å; H345-C350 VanDerWaalsContact NE2-SG 3.43Å
346G80.6Confident76.2Confident31 Ų3173.2 Ų73.232%0.3239%0.394SS..THydrogen-bonded Turntrans58.7-124.3177.100000112.5S348G346-S348 VanDerWaalsContact C-N 3.3Å; G346-S348 PolarHBondContact O-N 2.88Å
347V76Confident75.2Confident154 Ų15473.9 Ų73.993%0.93340%0.398SS*.THydrogen-bonded Turntrans-78.3-9.5179.9-63.60000114.3H345H345-V347 PolarHBondContact O-N 3.23Å
348S68.3Low74.4Confident69 Ų6978.5 Ų78.548%0.48342%0.42SS..SBendtrans-68.6143.3177.9-58.50000109.8H345 G346H345-S348 PolarHBondContact CE1-O 2.87Å; H345-S348 VanDerWaalsContact CE1-O 3.24Å; H345-S348 PolarHBondContact ND1-O 2.91Å; H345-S348 WeakPolarHBondContact O-CB 3.41Å; H345-S348 PolarHBondContact O-N 3.3Å; H345-S348 VanDerWaalsContact O-N 3.09Å; H345-S348 PolarHBondContact O-OG 3.2Å; G346-S348 VanDerWaalsContact C-N 3.3Å; G346-S348 PolarHBondContact O-N 2.88Å
349P68.4Low74Confident95 Ų9582.9 Ų82.962%0.61744%0.444SS*.PPolyproline II helixtrans-63.6148176.926.8-33.5000110.6K351 V383P349-K351 PolarHBondContact O-N 3.33Å; P349-V383 HydrophobicContact CB-CG2 4.21Å
350C70.6Confident73.9Confident22 Ų2281.2 Ų81.215%0.14944%0.435CS..PPolyproline II helixtrans-56.3133.1173.6-71.30000110.1C340 H345 V352C340-C350 HydrophobicContact CB-CB 3.85Å; H345-C350 PolarHBondContact CE1-SG 2.97Å; H345-C350 PolarHBondContact NE2-SG 3.45Å; H345-C350 VanDerWaalsContact NE2-SG 3.43Å; C350-V352 VanDerWaalsContact C-N 3.33Å; C350-V352 HydrophobicContact CB-CG2 4.11Å; C350-V352 PolarHBondContact O-N 3.42Å
351K69.6Low74Confident182 Ų18282.9 Ų82.979%0.79144%0.439SS*.  trans-76.588.2169.6-71.2-170.8179.6-178.60109P349P349-K351 PolarHBondContact O-N 3.33Å
352V65.7Low73.8Confident36 Ų3678.6 Ų78.622%0.21843%0.427CS..  trans-81.7131.6175.4-166.70000108.7C350 K356 L357 V383C350-V352 VanDerWaalsContact C-N 3.33Å; C350-V352 HydrophobicContact CB-CG2 4.11Å; C350-V352 PolarHBondContact O-N 3.42Å; V352-K356 HydrophobicContact CG1-CB 3.47Å; V352-K356 VanDerWaalsContact CG1-CB 3.47Å; V352-L357 HydrophobicContact CB-CD2 3.88Å; V352-L357 HydrophobicContact CB-CG 4.05Å; V352-L357 HydrophobicContact CG1-CD2 3.85Å; V352-L357 HydrophobicContact CG1-CG 3.81Å; V352-V383 HydrophobicContact CG2-CG1 4.05Å
353T66Low73.7Confident77 Ų7779.1 Ų79.147%0.47243%0.427SS..  trans-72.5156.4174.346.80000110.8E355 K356 L357T353-E355 PolarHBondContact O-N 2.99Å; T353-K356 PolarHBondContact O-N 2.91Å; T353-K356 VanDerWaalsContact O-N 3.1Å; T353-K356 WeakPolarHBondContact OG1-CG 3.45Å; T353-L357 PolarHBondContact O-N 3.32Å
354A63.3Low73.5Confident58 Ų5876.8 Ų76.848%0.47941%0.408SS..Hα-helixtrans-56.2-36-177.700000113.6L357 M358A354-L357 PolarHBondContact O-N 3.43Å; A354-M358 PolarHBondContact O-N 3.48Å
355E65.5Low73.2Confident151 Ų15176.9 Ų76.971%0.70642%0.415SS*.Hα-helixtrans-66-47.1175.4-67.6170177.200112T353 L357 M358 D359T353-E355 PolarHBondContact O-N 2.99Å; E355-L357 PolarHBondContact O-N 2.94Å; E355-M358 WeakPolarHBondContact O-CB 3.4Å; E355-M358 PolarHBondContact O-N 3.3Å; E355-D359 PolarHBondContact O-N 3.34Å; E355-D359 VanDerWaalsContact O-N 3.13Å
356K69.4Low73.3Confident121 Ų12182.3 Ų82.353%0.52644%0.44SS..Hα-helixtrans-66.6-24.4177.9-72.2-176.9179.3-176.20112.9V352 T353 L360V352-K356 HydrophobicContact CG1-CB 3.47Å; V352-K356 VanDerWaalsContact CG1-CB 3.47Å; T353-K356 PolarHBondContact O-N 2.91Å; T353-K356 VanDerWaalsContact O-N 3.1Å; T353-K356 WeakPolarHBondContact OG1-CG 3.45Å; K356-L360 VanDerWaalsContact O-CB 3.22Å; K356-L360 WeakPolarHBondContact O-CB 3.48Å; K356-L360 PolarHBondContact O-N 3.3Å
357L69.5Low73.4Confident15 Ų1581.4 Ų81.48%0.07943%0.43CS..Hα-helixtrans-69.5-36.1171.5-72.1170.5000111.5V352 T353 A354 E355 R361 V383 A387V352-L357 HydrophobicContact CB-CD2 3.88Å; V352-L357 HydrophobicContact CB-CG 4.05Å; V352-L357 HydrophobicContact CG1-CD2 3.85Å; V352-L357 HydrophobicContact CG1-CG 3.81Å; T353-L357 PolarHBondContact O-N 3.32Å; A354-L357 PolarHBondContact O-N 3.43Å; E355-L357 PolarHBondContact O-N 2.94Å; L357-R361 WeakPolarHBondContact O-CB 3.33Å; L357-R361 PolarHBondContact O-N 3.43Å; L357-V383 HydrophobicContact CD2-CG1 4.1Å; L357-A387 HydrophobicContact CB-CB 4.33Å; L357-A387 HydrophobicContact CD2-CB 3.96Å
358M68.7Low73.8Confident96 Ų9680 Ų8047%0.47342%0.417SS..Hα-helixtrans-68.6-42.7175-68-178.1175.700111.8A354 E355 R361 N362A354-M358 PolarHBondContact O-N 3.48Å; E355-M358 WeakPolarHBondContact O-CB 3.4Å; E355-M358 PolarHBondContact O-N 3.3Å; M358-R361 WeakPolarHBondContact O-CB 3.37Å; M358-R361 PolarHBondContact O-N 3.48Å; M358-N362 PolarHBondContact O-N 3.32Å; M358-N362 PolarHBondContact O-ND2 3.36Å
359D76.1Confident74.5Confident103 Ų10382.3 Ų82.355%0.55142%0.42SS*.Hα-helixtrans-62.8-46.3176.1-65.6-26.3000111.2E355 R361 N362 E363E355-D359 PolarHBondContact O-N 3.34Å; E355-D359 VanDerWaalsContact O-N 3.13Å; D359-R361 VanDerWaalsContact C-N 3.27Å; D359-R361 PolarHBondContact O-N 3.47Å; D359-N362 PolarHBondContact O-N 3.19Å; D359-E363 WeakPolarHBondContact O-CB 3.12Å; D359-E363 PolarHBondContact O-N 2.92Å
360L75.4Confident75Confident7 Ų781 Ų814%0.03742%0.417CS..Hα-helixtrans-59.4-37.8176.5-178.363.1000112.2K356 Y364 L375 Y379 V383 I384K356-L360 VanDerWaalsContact O-CB 3.22Å; K356-L360 WeakPolarHBondContact O-CB 3.48Å; K356-L360 PolarHBondContact O-N 3.3Å; L360-Y364 VanDerWaalsContact O-CB 3.27Å; L360-Y364 WeakPolarHBondContact O-CB 3.42Å; L360-Y364 PolarHBondContact O-N 3Å; L360-L375 HydrophobicContact CD1-CD2 4.03Å; L360-Y379 HydrophobicContact CD1-CD2 3.45Å; L360-Y379 VanDerWaalsContact CD1-CD2 3.45Å; L360-Y379 HydrophobicContact CD1-CE2 3.38Å; L360-Y379 HydrophobicContact CD1-CG 4.06Å; L360-Y379 HydrophobicContact CD2-CD1 4.13Å; L360-Y379 HydrophobicContact CD2-CD2 4.15Å; L360-Y379 HydrophobicContact CD2-CG 3.89Å; L360-Y379 HydrophobicContact CG-CD2 4.46Å; L360-V383 HydrophobicContact CD2-CG1 4.42Å; L360-I384 HydrophobicContact CD2-CG1 4.37Å
361R77.6Confident75.2Confident53 Ų5383.9 Ų83.920%0.243%0.431CS..Hα-helixtrans-64-49.6175.1-173.9-151.2112.4-144.712.5111.4L357 M358 D359 E363 Y364 L365 L388 M391L357-R361 WeakPolarHBondContact O-CB 3.33Å; L357-R361 PolarHBondContact O-N 3.43Å; M358-R361 WeakPolarHBondContact O-CB 3.37Å; M358-R361 PolarHBondContact O-N 3.48Å; D359-R361 VanDerWaalsContact C-N 3.27Å; D359-R361 PolarHBondContact O-N 3.47Å; R361-E363 VanDerWaalsContact C-N 3.29Å; R361-E363 PolarHBondContact O-N 3.4Å; R361-Y364 PolarHBondContact O-N 2.74Å; R361-L365 HydrophobicContact CG-CD1 4.03Å; R361-L365 HydrophobicContact CG-CG 4.5Å; R361-L365 VanDerWaalsContact NE-CD1 3.3Å; R361-L365 WeakPolarHBondContact O-CB 3.4Å; R361-L365 WeakPolarHBondContact O-CG 3.11Å; R361-L365 PolarHBondContact O-N 3.01Å; R361-L388 HydrophobicContact CG-CD2 4Å; R361-M391 VanDerWaalsContact NE-CE 3.31Å; R361-M391 PolarHBondContact NH1-SD 2.75Å
362N80.6Confident75.7Confident60 Ų6077.9 Ų77.932%0.32141%0.405SS..Hα-helixtrans-61.4-43.1-179-69.8-25.1000110.6M358 D359 L365 Q366M358-N362 PolarHBondContact O-N 3.32Å; M358-N362 PolarHBondContact O-ND2 3.36Å; D359-N362 PolarHBondContact O-N 3.19Å; N362-L365 PolarHBondContact O-N 3.07Å; N362-Q366 WeakPolarHBondContact O-CB 3.31Å; N362-Q366 VanDerWaalsContact O-CG 3.29Å; N362-Q366 WeakPolarHBondContact O-CG 3.15Å; N362-Q366 PolarHBondContact O-N 3.47Å; N362-Q366 VanDerWaalsContact O-N 3.09Å
363E81.2Confident76.2Confident97 Ų9783.9 Ų83.945%0.45342%0.423SS..Hα-helixtrans-61.1-45.5174.3-166.8-179.3177.700111.3D359 R361 L365 Q366 A367 L375D359-E363 WeakPolarHBondContact O-CB 3.12Å; D359-E363 PolarHBondContact O-N 2.92Å; R361-E363 VanDerWaalsContact C-N 3.29Å; R361-E363 PolarHBondContact O-N 3.4Å; E363-L365 PolarHBondContact O-N 2.94Å; E363-Q366 PolarHBondContact O-N 3.26Å; E363-A367 WeakPolarHBondContact O-CB 3.47Å; E363-A367 PolarHBondContact O-N 2.66Å; E363-L375 HydrophobicContact CG-CD1 4.31Å
364Y82.1Confident76.6Confident42 Ų4284.7 Ų84.717%0.16543%0.425CS..Hα-helixtrans-66.8-36.3179.7-167.5-91.4000113.6L360 R361 K372 L375 I384 L388L360-Y364 VanDerWaalsContact O-CB 3.27Å; L360-Y364 WeakPolarHBondContact O-CB 3.42Å; L360-Y364 PolarHBondContact O-N 3Å; R361-Y364 PolarHBondContact O-N 2.74Å; Y364-K372 HydrophobicContact CD2-CG 4.25Å; Y364-K372 HydrophobicContact CE1-CD 4.31Å; Y364-K372 HydrophobicContact CE1-CG 4.32Å; Y364-K372 HydrophobicContact CE2-CB 3.86Å; Y364-K372 HydrophobicContact CE2-CG 3.95Å; Y364-K372 WeakPolarHBondContact O-CE 3.03Å; Y364-L375 HydrophobicContact CD2-CB 3.91Å; Y364-L375 HydrophobicContact CD2-CD1 3.8Å; Y364-L375 HydrophobicContact CE2-CB 4.3Å; Y364-L375 HydrophobicContact CG-CD1 4.45Å; Y364-I384 HydrophobicContact CD1-CG2 4.01Å; Y364-I384 HydrophobicContact CD2-CD1 4.05Å; Y364-I384 HydrophobicContact CD2-CG1 4.48Å; Y364-I384 HydrophobicContact CD2-CG2 3.78Å; Y364-I384 HydrophobicContact CE1-CG2 3.99Å; Y364-I384 HydrophobicContact CE2-CD1 3.93Å; Y364-I384 HydrophobicContact CE2-CG2 3.77Å; Y364-I384 HydrophobicContact CG-CG2 3.92Å; Y364-L388 HydrophobicContact CE1-CD1 4.48Å
365L81.8Confident77Confident97 Ų9782.3 Ų82.351%0.50840%0.404SS..Hα-helixtrans-70.7-35.1177-73.7171.8000112.5R361 N362 E363 L388R361-L365 HydrophobicContact CG-CD1 4.03Å; R361-L365 HydrophobicContact CG-CG 4.5Å; R361-L365 VanDerWaalsContact NE-CD1 3.3Å; R361-L365 WeakPolarHBondContact O-CB 3.4Å; R361-L365 WeakPolarHBondContact O-CG 3.11Å; R361-L365 PolarHBondContact O-N 3.01Å; N362-L365 PolarHBondContact O-N 3.07Å; E363-L365 PolarHBondContact O-N 2.94Å; L365-L388 HydrophobicContact CD2-CD2 4.31Å
366Q82.8Confident77.5Confident162 Ų16276.7 Ų76.776%0.75738%0.378SS*.Hα-helixtrans-87-12.4179.7-66.5175.55.300113.1N362 E363N362-Q366 WeakPolarHBondContact O-CB 3.31Å; N362-Q366 VanDerWaalsContact O-CG 3.29Å; N362-Q366 WeakPolarHBondContact O-CG 3.15Å; N362-Q366 PolarHBondContact O-N 3.47Å; N362-Q366 VanDerWaalsContact O-N 3.09Å; E363-Q366 PolarHBondContact O-N 3.26Å
367A82.1Confident77.4Confident13 Ų1378.6 Ų78.611%0.10739%0.389CS..SBendtrans-75.7144.4-177.800000113.8E363 N371 K372 L375E363-A367 WeakPolarHBondContact O-CB 3.47Å; E363-A367 PolarHBondContact O-N 2.66Å; A367-N371 HydrophobicContact CB-CB 3.72Å; A367-K372 HydrophobicContact CB-CG 4Å; A367-K372 WeakPolarHBondContact O-CE 3.34Å; A367-L375 HydrophobicContact CB-CD1 4.25Å
368D85.7Confident77.2Confident123 Ų12384.4 Ų84.466%0.65841%0.41SS*.  trans-68.3163.1166.9-61-36.3000111.8A370 N371 K372D368-A370 PolarHBondContact O-N 3.05Å; D368-A370 VanDerWaalsContact O-N 3.1Å; D368-N371 PolarHBondContact O-N 3.4Å; D368-K372 PolarHBondContact O-N 2.82Å
369E81.8Confident77.1Confident119 Ų11982.8 Ų82.856%0.55640%0.399SS*.Hα-helixtrans-51.8-35.6179.7-87.4-66.3134.900114.2R373E369-R373 WeakPolarHBondContact O-CG 3.4Å; E369-R373 PolarHBondContact O-N 3.06Å; E369-R373 VanDerWaalsContact O-N 3.17Å; E369-R373 IonicContact OE2-NE 4Å
370A79.1Confident76.7Confident66 Ų6679.3 Ų79.355%0.54539%0.388SS..Hα-helixtrans-67.7-44.7176.100000112D368 R373 L374D368-A370 PolarHBondContact O-N 3.05Å; D368-A370 VanDerWaalsContact O-N 3.1Å; A370-R373 PolarHBondContact O-N 3.27Å; A370-L374 WeakPolarHBondContact O-CG 3.37Å; A370-L374 PolarHBondContact O-N 2.83Å; A370-L374 VanDerWaalsContact O-N 3.14Å
371N76.3Confident76.6Confident84 Ų8485.9 Ų85.945%0.44942%0.416SS..Hα-helixtrans-70.4-35178.3-80.9-6.3000111.8A367 D368 R373 L374 L375A367-N371 HydrophobicContact CB-CB 3.72Å; D368-N371 PolarHBondContact O-N 3.4Å; N371-R373 PolarHBondContact O-N 2.84Å; N371-L374 WeakPolarHBondContact O-CB 3.25Å; N371-L374 PolarHBondContact O-N 3.33Å; N371-L375 WeakPolarHBondContact O-CB 3.43Å; N371-L375 VanDerWaalsContact O-CG 3.3Å; N371-L375 WeakPolarHBondContact O-CG 3.37Å; N371-L375 PolarHBondContact O-N 3.49Å
372K79.2Confident76.1Confident55 Ų5594 Ų9424%0.23945%0.447CS..Hα-helixtrans-59.2-44.7171.7-72.9178.6176.2164.50111.9Y364 A367 D368 L374 L375 D376Y364-K372 HydrophobicContact CD2-CG 4.25Å; Y364-K372 HydrophobicContact CE1-CD 4.31Å; Y364-K372 HydrophobicContact CE1-CG 4.32Å; Y364-K372 HydrophobicContact CE2-CB 3.86Å; Y364-K372 HydrophobicContact CE2-CG 3.95Å; Y364-K372 WeakPolarHBondContact O-CE 3.03Å; A367-K372 HydrophobicContact CB-CG 4Å; A367-K372 WeakPolarHBondContact O-CE 3.34Å; D368-K372 PolarHBondContact O-N 2.82Å; K372-L374 VanDerWaalsContact C-N 3.32Å; K372-L374 PolarHBondContact O-N 3.17Å; K372-L375 PolarHBondContact O-N 2.98Å; K372-D376 WeakPolarHBondContact O-CB 3.33Å; K372-D376 PolarHBondContact O-N 3.2Å
373R77.2Confident75.6Confident162 Ų16292.1 Ų92.161%0.61144%0.437SS*.Hα-helixtrans-62.7-37.6175.5-70.8173.3-169.3-173.82.8112.6E369 A370 N371 Q377E369-R373 WeakPolarHBondContact O-CG 3.4Å; E369-R373 PolarHBondContact O-N 3.06Å; E369-R373 VanDerWaalsContact O-N 3.17Å; E369-R373 IonicContact OE2-NE 4Å; A370-R373 PolarHBondContact O-N 3.27Å; N371-R373 PolarHBondContact O-N 2.84Å; R373-Q377 WeakPolarHBondContact O-CG 3.17Å; R373-Q377 PolarHBondContact O-N 2.8Å
374L73.9Confident75.3Confident95 Ų9587.7 Ų87.750%0.49742%0.417SS..Hα-helixtrans-67.6-43.7175.2-70.4171.9000111.6A370 N371 K372 D376 Q377 R378A370-L374 WeakPolarHBondContact O-CG 3.37Å; A370-L374 PolarHBondContact O-N 2.83Å; A370-L374 VanDerWaalsContact O-N 3.14Å; N371-L374 WeakPolarHBondContact O-CB 3.25Å; N371-L374 PolarHBondContact O-N 3.33Å; K372-L374 VanDerWaalsContact C-N 3.32Å; K372-L374 PolarHBondContact O-N 3.17Å; L374-D376 VanDerWaalsContact C-N 3.34Å; L374-Q377 PolarHBondContact O-N 2.93Å; L374-R378 WeakPolarHBondContact O-CB 3.49Å; L374-R378 PolarHBondContact O-N 3.05Å
375L71.5Confident75Confident7 Ų790.7 Ų90.74%0.03743%0.432CS..Hα-helixtrans-62.2-42.7175.3-70.4170.8000111L360 E363 Y364 A367 N371 K372 Q377 R378 Y379 I384L360-L375 HydrophobicContact CD1-CD2 4.03Å; E363-L375 HydrophobicContact CG-CD1 4.31Å; Y364-L375 HydrophobicContact CD2-CB 3.91Å; Y364-L375 HydrophobicContact CD2-CD1 3.8Å; Y364-L375 HydrophobicContact CE2-CB 4.3Å; Y364-L375 HydrophobicContact CG-CD1 4.45Å; A367-L375 HydrophobicContact CB-CD1 4.25Å; N371-L375 WeakPolarHBondContact O-CB 3.43Å; N371-L375 VanDerWaalsContact O-CG 3.3Å; N371-L375 WeakPolarHBondContact O-CG 3.37Å; N371-L375 PolarHBondContact O-N 3.49Å; K372-L375 PolarHBondContact O-N 2.98Å; L375-Q377 PolarHBondContact O-N 2.95Å; L375-R378 PolarHBondContact O-N 3.09Å; L375-R378 VanDerWaalsContact O-N 3.14Å; L375-Y379 HydrophobicContact CD2-CD2 4.06Å; L375-Y379 HydrophobicContact CD2-CE2 3.78Å; L375-Y379 PolarHBondContact O-N 2.94Å; L375-I384 VanDerWaalsContact C-CD1 3.49Å; L375-I384 HydrophobicContact CB-CD1 4.16Å; L375-I384 WeakPolarHBondContact O-CD1 3.38Å
376D75.4Confident74.6Confident33 Ų3391.8 Ų91.818%0.17643%0.433CS..Hα-helixtrans-58.8-43.2175-93-3.4000113K372 L374 G380 K381 I384K372-D376 WeakPolarHBondContact O-CB 3.33Å; K372-D376 PolarHBondContact O-N 3.2Å; L374-D376 VanDerWaalsContact C-N 3.34Å; D376-G380 WeakPolarHBondContact O-CA 3.24Å; D376-G380 PolarHBondContact O-N 3.13Å; D376-K381 HydrophobicContact CB-CG 4.31Å; D376-K381 WeakPolarHBondContact OD2-CE 3.48Å; D376-I384 HydrophobicContact CB-CD1 4.47Å; D376-I384 WeakPolarHBondContact OD1-CD1 3.23Å
377Q68Low74.1Confident162 Ų16284.4 Ų84.476%0.75740%0.399SS*.Hα-helixtrans-69.9-34.8175-74.4177.63.900112R373 L374 L375R373-Q377 WeakPolarHBondContact O-CG 3.17Å; R373-Q377 PolarHBondContact O-N 2.8Å; L374-Q377 PolarHBondContact O-N 2.93Å; L375-Q377 PolarHBondContact O-N 2.95Å
378R65.8Low73.7Confident136 Ų13686.4 Ų86.451%0.51341%0.408SS..Hα-helixtrans-75.6-52.1-175.8-172.2178.3-79.4-174.5-4.9112.4L339 L374 L375L339-R378 HydrophobicContact CD1-CG 4.23Å; L339-R378 WeakPolarHBondContact CD1-O 3.12Å; L339-R378 HydrophobicContact CD2-CG 3.52Å; L339-R378 HydrophobicContact CG-CG 4.44Å; L374-R378 WeakPolarHBondContact O-CB 3.49Å; L374-R378 PolarHBondContact O-N 3.05Å; L375-R378 PolarHBondContact O-N 3.09Å; L375-R378 VanDerWaalsContact O-N 3.14Å
379Y66.2Low73Confident62 Ų6285 Ų8524%0.24340%0.397CS..Hα-helixtrans-100.2-14.3-174.5-64.7-78.7000113.4L360 L375 V383L360-Y379 HydrophobicContact CD1-CD2 3.45Å; L360-Y379 VanDerWaalsContact CD1-CD2 3.45Å; L360-Y379 HydrophobicContact CD1-CE2 3.38Å; L360-Y379 HydrophobicContact CD1-CG 4.06Å; L360-Y379 HydrophobicContact CD2-CD1 4.13Å; L360-Y379 HydrophobicContact CD2-CD2 4.15Å; L360-Y379 HydrophobicContact CD2-CG 3.89Å; L360-Y379 HydrophobicContact CG-CD2 4.46Å; L375-Y379 HydrophobicContact CD2-CD2 4.06Å; L375-Y379 HydrophobicContact CD2-CE2 3.78Å; L375-Y379 PolarHBondContact O-N 2.94Å; Y379-V383 WeakPolarHBondContact O-CB 3.32Å; Y379-V383 VanDerWaalsContact O-CG2 3.27Å; Y379-V383 WeakPolarHBondContact O-CG2 3.22Å
380G68.1Low72.3Confident30 Ų3082.7 Ų82.731%0.30939%0.387SS..  trans79.4137.6-174.500000111.7D376 R382 V383 I384D376-G380 WeakPolarHBondContact O-CA 3.24Å; D376-G380 PolarHBondContact O-N 3.13Å; G380-R382 PolarHBondContact O-N 3.1Å; G380-V383 PolarHBondContact O-N 3.16Å; G380-I384 PolarHBondContact O-N 3.33Å
381K71.4Confident71.3Confident145 Ų14581.9 Ų81.963%0.6337%0.372SS*.Hα-helixtrans-51.3-36.1-176.7-64.6-169.5172.6-168.50114.2D376 V383 Q385D376-K381 HydrophobicContact CB-CG 4.31Å; D376-K381 WeakPolarHBondContact OD2-CE 3.48Å; K381-V383 PolarHBondContact O-N 3.13Å; K381-Q385 WeakPolarHBondContact O-CB 3.18Å; K381-Q385 PolarHBondContact O-N 3.37Å
382R67.7Low70.4Confident224 Ų22484.5 Ų84.585%0.84538%0.382SS*.Hα-helixtrans-65.5-35.5179.2-78.5-179.7133.4174.7-2.9113.9G380 K386G380-R382 PolarHBondContact O-N 3.1Å; R382-K386 WeakPolarHBondContact O-CB 3.45Å; R382-K386 PolarHBondContact O-N 2.95Å
383V70.4Confident69.7Low20 Ų2085.3 Ų85.312%0.12139%0.394CS..Hα-helixtrans-76.1-39.4-178.9178.70000110.1P349 V352 L357 L360 Y379 G380 K381 K386 A387P349-V383 HydrophobicContact CB-CG2 4.21Å; V352-V383 HydrophobicContact CG2-CG1 4.05Å; L357-V383 HydrophobicContact CD2-CG1 4.1Å; L360-V383 HydrophobicContact CD2-CG1 4.42Å; Y379-V383 WeakPolarHBondContact O-CB 3.32Å; Y379-V383 VanDerWaalsContact O-CG2 3.27Å; Y379-V383 WeakPolarHBondContact O-CG2 3.22Å; G380-V383 PolarHBondContact O-N 3.16Å; K381-V383 PolarHBondContact O-N 3.13Å; V383-K386 PolarHBondContact O-N 3.19Å; V383-A387 WeakPolarHBondContact O-CB 3.21Å; V383-A387 PolarHBondContact O-N 2.65Å
384I75.6Confident69.2Low5 Ų582.5 Ų82.53%0.02639%0.387CS..Hα-helixtrans-65.6-45.4175-68.8165.1000110.5L360 Y364 L375 D376 G380 K386 A387 L388L360-I384 HydrophobicContact CD2-CG1 4.37Å; Y364-I384 HydrophobicContact CD1-CG2 4.01Å; Y364-I384 HydrophobicContact CD2-CD1 4.05Å; Y364-I384 HydrophobicContact CD2-CG1 4.48Å; Y364-I384 HydrophobicContact CD2-CG2 3.78Å; Y364-I384 HydrophobicContact CE1-CG2 3.99Å; Y364-I384 HydrophobicContact CE2-CD1 3.93Å; Y364-I384 HydrophobicContact CE2-CG2 3.77Å; Y364-I384 HydrophobicContact CG-CG2 3.92Å; L375-I384 VanDerWaalsContact C-CD1 3.49Å; L375-I384 HydrophobicContact CB-CD1 4.16Å; L375-I384 WeakPolarHBondContact O-CD1 3.38Å; D376-I384 HydrophobicContact CB-CD1 4.47Å; D376-I384 WeakPolarHBondContact OD1-CD1 3.23Å; G380-I384 PolarHBondContact O-N 3.33Å; I384-K386 VanDerWaalsContact C-N 3.32Å; I384-K386 PolarHBondContact O-N 3.08Å; I384-A387 WeakPolarHBondContact O-CB 3.45Å; I384-A387 PolarHBondContact O-N 2.93Å; I384-A387 VanDerWaalsContact O-N 3.08Å; I384-L388 HydrophobicContact CG2-CD1 4.12Å; I384-L388 WeakPolarHBondContact O-CG 3.28Å; I384-L388 PolarHBondContact O-N 3.03Å
385Q75.6Confident68.8Low104 Ų10482.1 Ų82.149%0.48638%0.382SS..Hα-helixtrans-58.8-45175.5-179.8162.75.500111.5K381 A387 L388 E389K381-Q385 WeakPolarHBondContact O-CB 3.18Å; K381-Q385 PolarHBondContact O-N 3.37Å; Q385-A387 VanDerWaalsContact C-N 3.32Å; Q385-A387 PolarHBondContact O-N 2.83Å; Q385-L388 PolarHBondContact O-N 2.88Å; Q385-L388 VanDerWaalsContact O-N 3.16Å; Q385-E389 HydrophobicContact CG-CG 4.26Å; Q385-E389 WeakPolarHBondContact CG-OE1 3.48Å; Q385-E389 PolarHBondContact NE2-OE1 3.38Å; Q385-E389 WeakPolarHBondContact O-CB 3.34Å; Q385-E389 VanDerWaalsContact O-CG 3.29Å; Q385-E389 WeakPolarHBondContact O-CG 2.96Å; Q385-E389 PolarHBondContact O-N 3.18Å
386K72.5Confident68.8Low121 Ų12187.8 Ų87.853%0.52640%0.403SS..Hα-helixtrans-59.9-40.5173.5-174.2179.8177.1-173.80112.6R382 V383 I384 L388 E389 E390R382-K386 WeakPolarHBondContact O-CB 3.45Å; R382-K386 PolarHBondContact O-N 2.95Å; V383-K386 PolarHBondContact O-N 3.19Å; I384-K386 VanDerWaalsContact C-N 3.32Å; I384-K386 PolarHBondContact O-N 3.08Å; K386-L388 VanDerWaalsContact C-N 3.28Å; K386-L388 PolarHBondContact O-N 3.05Å; K386-E389 PolarHBondContact O-N 2.85Å; K386-E390 WeakPolarHBondContact O-CB 3.26Å; K386-E390 PolarHBondContact O-N 3.25Å
387A73.3Confident68.6Low6 Ų689.3 Ų89.35%0.0541%0.411CS..Hα-helixtrans-64.4-32.4177.500000112.8L357 V383 I384 Q385L357-A387 HydrophobicContact CB-CB 4.33Å; L357-A387 HydrophobicContact CD2-CB 3.96Å; V383-A387 WeakPolarHBondContact O-CB 3.21Å; V383-A387 PolarHBondContact O-N 2.65Å; I384-A387 WeakPolarHBondContact O-CB 3.45Å; I384-A387 PolarHBondContact O-N 2.93Å; I384-A387 VanDerWaalsContact O-N 3.08Å; Q385-A387 VanDerWaalsContact C-N 3.32Å; Q385-A387 PolarHBondContact O-N 2.83Å
388L73.3Confident68.6Low56 Ų5689.3 Ų89.329%0.29341%0.411SS..Hα-helixtrans-74.6-46.7174.5-66.3166.2000111.3R361 Y364 L365 I384 Q385 K386 E390R361-L388 HydrophobicContact CG-CD2 4Å; Y364-L388 HydrophobicContact CE1-CD1 4.48Å; L365-L388 HydrophobicContact CD2-CD2 4.31Å; I384-L388 HydrophobicContact CG2-CD1 4.12Å; I384-L388 WeakPolarHBondContact O-CG 3.28Å; I384-L388 PolarHBondContact O-N 3.03Å; Q385-L388 PolarHBondContact O-N 2.88Å; Q385-L388 VanDerWaalsContact O-N 3.16Å; K386-L388 VanDerWaalsContact C-N 3.28Å; K386-L388 PolarHBondContact O-N 3.05Å; L388-E390 PolarHBondContact O-N 3.1Å
389E70.6Confident68.9Low93 Ų9390.1 Ų90.144%0.43542%0.418SS..Hα-helixtrans-68.4-31.4-176.4-71.5170.9178.600113.6Q385 K386 M391 E392 S393Q385-E389 HydrophobicContact CG-CG 4.26Å; Q385-E389 WeakPolarHBondContact CG-OE1 3.48Å; Q385-E389 PolarHBondContact NE2-OE1 3.38Å; Q385-E389 WeakPolarHBondContact O-CB 3.34Å; Q385-E389 VanDerWaalsContact O-CG 3.29Å; Q385-E389 WeakPolarHBondContact O-CG 2.96Å; Q385-E389 PolarHBondContact O-N 3.18Å; K386-E389 PolarHBondContact O-N 2.85Å; E389-M391 PolarHBondContact O-N 3.49Å; E389-E392 PolarHBondContact O-N 2.91Å; E389-E392 VanDerWaalsContact O-N 3.14Å; E389-S393 PolarHBondContact O-N 3.42Å; E389-S393 VanDerWaalsContact O-N 3.13Å
390E67.1Low69.5Low70 Ų7090.7 Ų90.733%0.32743%0.425SS..Hα-helixtrans-66.4-19-175.5-163.9162.8168.800113.3K386 L388K386-E390 WeakPolarHBondContact O-CB 3.26Å; K386-E390 PolarHBondContact O-N 3.25Å; L388-E390 PolarHBondContact O-N 3.1Å
391M58.7Low70.2Confident49 Ų4990.1 Ų90.124%0.24142%0.417CS..Hα-helixtrans-85.7-40.8168.6-72.2-150.2-43.400113.8R361 E389 S393 K394 E395R361-M391 VanDerWaalsContact NE-CE 3.31Å; R361-M391 PolarHBondContact NH1-SD 2.75Å; E389-M391 PolarHBondContact O-N 3.49Å; M391-S393 PolarHBondContact O-N 2.95Å; M391-K394 PolarHBondContact O-N 3.37Å; M391-E395 PolarHBondContact O-N 2.9Å
392E56.8Low71Confident139 Ų13987 Ų8765%0.6540%0.403SS*.Hα-helixtrans-57.1-40.4179.3-69.4-177.916900109.7E389 W396E389-E392 PolarHBondContact O-N 2.91Å; E389-E392 VanDerWaalsContact O-N 3.14Å; E392-W396 WeakPolarHBondContact O-CB 3.22Å; E392-W396 PolarHBondContact O-N 2.89Å
393S63.9Low71.9Confident72 Ų7280 Ų8050%0.50339%0.389SS..Hα-helixtrans-63-43.1174.5-173.50000113E389 M391 L397E389-S393 PolarHBondContact O-N 3.42Å; E389-S393 VanDerWaalsContact O-N 3.13Å; M391-S393 PolarHBondContact O-N 2.95Å; S393-L397 VanDerWaalsContact O-CB 3.3Å; S393-L397 WeakPolarHBondContact O-CB 3.41Å; S393-L397 VanDerWaalsContact O-CD1 3.27Å; S393-L397 WeakPolarHBondContact O-CD1 3.42Å; S393-L397 VanDerWaalsContact O-CG 3.32Å; S393-L397 WeakPolarHBondContact O-CG 3.44Å; S393-L397 PolarHBondContact O-N 3.2Å
394K66.8Low72.8Confident104 Ų10479.2 Ų79.245%0.45238%0.384SS..Hα-helixtrans-75.3-47.8-177.2-76.8-179-178.1170.90113.3M391 W396 L397 E398M391-K394 PolarHBondContact O-N 3.37Å; K394-W396 VanDerWaalsContact C-N 3.3Å; K394-W396 PolarHBondContact O-N 3.17Å; K394-L397 WeakPolarHBondContact O-CB 3.28Å; K394-L397 PolarHBondContact O-N 2.56Å; K394-E398 WeakPolarHBondContact O-CG 3.39Å; K394-E398 PolarHBondContact O-N 3.09Å
395E67.3Low73.4Confident87 Ų8781.7 Ų81.741%0.40740%0.4SS..Hα-helixtrans-63.9-38.5177.3-74.8-165.4-163.900111.4M391 E398 K399M391-E395 PolarHBondContact O-N 2.9Å; E395-E398 PolarHBondContact O-N 3.17Å; E395-K399 WeakPolarHBondContact O-CB 3.27Å; E395-K399 WeakPolarHBondContact O-CG 3.35Å; E395-K399 PolarHBondContact O-N 3.19Å; E395-K399 IonicContact OE2-NZ 3.04Å; E395-K399 PolarHBondContact OE2-NZ 2.9Å
396W70.1Confident74Confident126 Ų12680.5 Ų80.548%0.47740%0.403SS..Hα-helixtrans-65.3-42.5175.3-172.197.5000111.3E392 K394 E398 K399 N400E392-W396 WeakPolarHBondContact O-CB 3.22Å; E392-W396 PolarHBondContact O-N 2.89Å; K394-W396 VanDerWaalsContact C-N 3.3Å; K394-W396 PolarHBondContact O-N 3.17Å; W396-E398 VanDerWaalsContact C-N 3.34Å; W396-E398 PolarHBondContact O-N 2.88Å; W396-K399 PolarHBondContact O-N 2.82Å; W396-N400 HydrophobicContact CD2-CB 4.17Å; W396-N400 HydrophobicContact CE3-CB 4.4Å; W396-N400 HydrophobicContact CH2-CB 4.18Å; W396-N400 HydrophobicContact CZ2-CB 3.96Å; W396-N400 HydrophobicContact CZ3-CB 4.4Å; W396-N400 PolarHBondContact NE1-ND2 2.91Å; W396-N400 WeakPolarHBondContact O-CB 3.36Å; W396-N400 PolarHBondContact O-N 2.99Å; W396-N400 PolarHBondContact O-ND2 3.17Å
397L70.9Confident74.7Confident65 Ų6577.6 Ų77.634%0.3440%0.397SS..Hα-helixtrans-59.3-41.3173.9-89.3157.6000111.9S393 K394 S401 P410S393-L397 VanDerWaalsContact O-CB 3.3Å; S393-L397 WeakPolarHBondContact O-CB 3.41Å; S393-L397 VanDerWaalsContact O-CD1 3.27Å; S393-L397 WeakPolarHBondContact O-CD1 3.42Å; S393-L397 VanDerWaalsContact O-CG 3.32Å; S393-L397 WeakPolarHBondContact O-CG 3.44Å; S393-L397 PolarHBondContact O-N 3.2Å; K394-L397 WeakPolarHBondContact O-CB 3.28Å; K394-L397 PolarHBondContact O-N 2.56Å; L397-S401 WeakPolarHBondContact O-CA 3.4Å; L397-S401 VanDerWaalsContact O-CB 3.28Å; L397-S401 WeakPolarHBondContact O-CB 3.33Å; L397-S401 PolarHBondContact O-N 3.04Å; L397-S401 VanDerWaalsContact O-N 3.09Å; L397-S401 PolarHBondContact O-OG 3.36Å; L397-P410 HydrophobicContact CD2-CB 3.91Å; L397-P410 HydrophobicContact CD2-CG 4.02Å
398E68.4Low75.2Confident162 Ų16279.4 Ų79.476%0.75742%0.416SS*.Hα-helixtrans-71.8-35.9179.2-73.9179.317800113.4K394 E395 W396K394-E398 WeakPolarHBondContact O-CG 3.39Å; K394-E398 PolarHBondContact O-N 3.09Å; E395-E398 PolarHBondContact O-N 3.17Å; W396-E398 VanDerWaalsContact C-N 3.34Å; W396-E398 PolarHBondContact O-N 2.88Å
399K72.4Confident75.9Confident153 Ų15379 Ų7967%0.66542%0.416SS*.Hα-helixtrans-80.7-39.4-178.8-71.4170.8-176.1160.70112.8E395 W396E395-K399 WeakPolarHBondContact O-CB 3.27Å; E395-K399 WeakPolarHBondContact O-CG 3.35Å; E395-K399 PolarHBondContact O-N 3.19Å; E395-K399 IonicContact OE2-NZ 3.04Å; E395-K399 PolarHBondContact OE2-NZ 2.9Å; W396-K399 PolarHBondContact O-N 2.82Å
400N77.9Confident76.6Confident73 Ų7377.7 Ų77.739%0.3942%0.415SS..Hα-helixtrans-105.8-9.8-170.4-60.9-70.4000114.2W396W396-N400 HydrophobicContact CD2-CB 4.17Å; W396-N400 HydrophobicContact CE3-CB 4.4Å; W396-N400 HydrophobicContact CH2-CB 4.18Å; W396-N400 HydrophobicContact CZ2-CB 3.96Å; W396-N400 HydrophobicContact CZ3-CB 4.4Å; W396-N400 PolarHBondContact NE1-ND2 2.91Å; W396-N400 WeakPolarHBondContact O-CB 3.36Å; W396-N400 PolarHBondContact O-N 2.99Å; W396-N400 PolarHBondContact O-ND2 3.17Å
401S84.4Confident77.6Confident19 Ų1974.8 Ų74.813%0.13340%0.402CS..EExtended strand (participates in β ladder)trans-126151.2-178.590.50000113.2L397 P410 I411L397-S401 WeakPolarHBondContact O-CA 3.4Å; L397-S401 VanDerWaalsContact O-CB 3.28Å; L397-S401 WeakPolarHBondContact O-CB 3.33Å; L397-S401 PolarHBondContact O-N 3.04Å; L397-S401 VanDerWaalsContact O-N 3.09Å; L397-S401 PolarHBondContact O-OG 3.36Å; S401-P410 WeakPolarHBondContact OG-CB 3.23Å; S401-I411 WeakPolarHBondContact CA-O 3.5Å
402K86.4Confident78.9Confident80 Ų8076.8 Ų76.835%0.34841%0.411SS..EExtended strand (participates in β ladder)trans-124.2136.6173.4-78.7153.1140.3-165.40109.8I411 W431 M434K402-I411 PolarHBondContact N-O 2.94Å; K402-I411 PolarHBondContact O-N 3.27Å; K402-W431 HydrophobicContact CB-CE3 4.33Å; K402-W431 HydrophobicContact CB-CH2 3.76Å; K402-W431 HydrophobicContact CB-CZ2 4.28Å; K402-W431 HydrophobicContact CB-CZ3 3.78Å; K402-W431 HydrophobicContact CD-CD2 3.87Å; K402-W431 HydrophobicContact CD-CE3 4.18Å; K402-W431 HydrophobicContact CD-CH2 3.73Å; K402-W431 HydrophobicContact CD-CZ2 3.33Å; K402-W431 HydrophobicContact CD-CZ3 4.13Å; K402-W431 HydrophobicContact CG-CH2 4.15Å; K402-W431 HydrophobicContact CG-CZ2 4.18Å; K402-W431 PolarHBondContact NZ-O 2.98Å; K402-M434 HydrophobicContact CB-CE 3.4Å; K402-M434 VanDerWaalsContact CB-CE 3.4Å; K402-M434 HydrophobicContact CB-SD 4.32Å; K402-M434 HydrophobicContact CD-CE 3.25Å; K402-M434 HydrophobicContact CG-CE 3.46Å; K402-M434 VanDerWaalsContact CG-CE 3.46Å
403S88.4Confident80.2Confident76 Ų7672.2 Ų72.253%0.53139%0.389SS..EExtended strand (participates in β ladder)trans-73.9137.8-177.7-53.90000112.2
404C88.2Confident80.6Confident4 Ų476.1 Ų76.13%0.02740%0.403CS..  trans-62.4130.6174.9177.90000111.2C406 G408 T409 C422C404-C406 PolarHBondContact O-N 3.04Å; C404-C406 VanDerWaalsContact O-N 3.11Å; C404-C406 PolarHBondContact SG-N 2.71Å; C404-G408 WeakPolarHBondContact O-CA 3.36Å; C404-G408 PolarHBondContact O-N 3.27Å; C404-T409 WeakPolarHBondContact CB-O 3.47Å; C404-T409 PolarHBondContact N-O 3.38Å; C404-C422 HydrophobicContact CB-CB 4.26Å; C404-C422 VanDerWaalsContact SG-CB 3.6Å
405P88.4Confident80.8Confident56 Ų5676.4 Ų76.436%0.36441%0.41SS..THydrogen-bonded Turntrans-67-13.9-179.427.9-37.7000114.5F429 M434P405-F429 HydrophobicContact CG-CB 3.76Å; P405-F429 HydrophobicContact CG-CD2 4.35Å; P405-F429 HydrophobicContact CG-CG 4.11Å; P405-M434 WeakPolarHBondContact CB-O 3.5Å; P405-M434 VanDerWaalsContact CG-O 3.26Å; P405-M434 WeakPolarHBondContact CG-O 3.43Å
406C87.4Confident81.4Confident80 Ų8073.5 Ų73.554%0.54140%0.403SS..THydrogen-bonded Turntrans-98.6-37.2-178.6-176.80000113.2C404 Q427C404-C406 PolarHBondContact O-N 3.04Å; C404-C406 VanDerWaalsContact O-N 3.11Å; C404-C406 PolarHBondContact SG-N 2.71Å; C406-Q427 HydrophobicContact CB-CB 4.19Å; C406-Q427 HydrophobicContact CB-CG 4.13Å
407C88.3Confident82.2Confident60 Ų6069 Ų6941%0.40539%0.39SS..THydrogen-bonded Turntrans-134.70.1-171.867.50000114.8T409 C425C407-T409 PolarHBondContact O-N 2.86Å; C407-T409 VanDerWaalsContact O-N 3.17Å; C407-T409 PolarHBondContact SG-OG1 3.17Å; C407-C425 HydrophobicContact CB-CB 4.08Å
408G83.8Confident83Confident44 Ų4466.1 Ų66.145%0.45438%0.375SS..  trans74.6-3.5176.800000115.9C404C404-G408 WeakPolarHBondContact O-CA 3.36Å; C404-G408 PolarHBondContact O-N 3.27Å
409T86.9Confident84Confident46 Ų4660 Ų6028%0.28235%0.346SS..  trans-58.6126.7176.9-52.10000110.3C404 C407 I411C404-T409 WeakPolarHBondContact CB-O 3.47Å; C404-T409 PolarHBondContact N-O 3.38Å; C407-T409 PolarHBondContact O-N 2.86Å; C407-T409 VanDerWaalsContact O-N 3.17Å; C407-T409 PolarHBondContact SG-OG1 3.17Å; T409-I411 HydrophobicContact CG2-CD1 4.22Å; T409-I411 PolarHBondContact O-N 3.4Å
410P86.8Confident84.9Confident66 Ų6653.9 Ų53.943%0.42932%0.32SS..EExtended strand (participates in β ladder)trans-67.9129.9176.127-32.3000109.9L397 S401L397-P410 HydrophobicContact CD2-CB 3.91Å; L397-P410 HydrophobicContact CD2-CG 4.02Å; S401-P410 WeakPolarHBondContact OG-CB 3.23Å
411I86.8Confident85.5Confident10 Ų1053 Ų535%0.05132%0.318CS..EExtended strand (participates in β ladder)trans-122.6132.7-179.2-56.2-62.2000107.9S401 K402 T409 M420 T423 F429 W431S401-I411 WeakPolarHBondContact CA-O 3.5Å; K402-I411 PolarHBondContact N-O 2.94Å; K402-I411 PolarHBondContact O-N 3.27Å; T409-I411 HydrophobicContact CG2-CD1 4.22Å; T409-I411 PolarHBondContact O-N 3.4Å; I411-M420 HydrophobicContact CG2-CE 3.76Å; I411-T423 HydrophobicContact CD1-CG2 4.25Å; I411-T423 VanDerWaalsContact CD1-OG1 3.22Å; I411-T423 WeakPolarHBondContact CD1-OG1 3.37Å; I411-F429 HydrophobicContact CB-CZ 4.36Å; I411-F429 HydrophobicContact CG1-CZ 4.36Å; I411-F429 HydrophobicContact CG2-CZ 4.37Å; I411-W431 HydrophobicContact CB-CZ3 4.37Å; I411-W431 HydrophobicContact CG2-CZ3 4.25Å; I411-W431 WeakPolarHBondContact O-CH2 3.45Å; I411-W431 WeakPolarHBondContact O-CZ3 3.38Å
412E86.4Confident85.7Confident90 Ų9052.1 Ų52.142%0.42131%0.312SS..EExtended strand (participates in β ladder)trans-95.1144.5170.5-179177.3-164.100109.7L414E412-L414 HydrophobicContact CG-CD2 4.47Å
413K83.8Confident85.9Confident44 Ų4452.7 Ų52.719%0.19132%0.322CS..  trans-98.6110.1172.6176.2177.1179.7-80.30107.7G416 M420 W431K413-G416 WeakPolarHBondContact CE-O 3.15Å; K413-G416 PolarHBondContact NZ-O 2.93Å; K413-M420 HydrophobicContact CB-CE 4.11Å; K413-M420 HydrophobicContact CG-CE 4.49Å; K413-M420 HydrophobicContact CG-SD 4.33Å; K413-W431 HydrophobicContact CB-CD2 4.07Å; K413-W431 HydrophobicContact CB-CE3 4.4Å; K413-W431 HydrophobicContact CB-CH2 3.73Å; K413-W431 HydrophobicContact CB-CZ2 3.37Å; K413-W431 HydrophobicContact CB-CZ3 4.24Å; K413-W431 HydrophobicContact CD-CD2 4.13Å; K413-W431 HydrophobicContact CD-CG 3.95Å; K413-W431 HydrophobicContact CD-CZ2 4.5Å
414L73.5Confident85.9Confident153 Ų15351.6 Ų51.680%0.80132%0.322SS*.  trans-78.2-52.4179.7-66.6169.7000111.4E412E412-L414 HydrophobicContact CG-CD2 4.47Å
415D70.2Confident86Confident111 Ų11153.3 Ų53.359%0.59433%0.334SS*.SBendtrans-171.6168.6170-164.19.1000110.1V461D415-V461 VanDerWaalsContact OD1-CG1 3.22Å; D415-V461 WeakPolarHBondContact OD1-CG1 3.47Å
416G80.7Confident86Confident25 Ų2556.7 Ų56.726%0.25834%0.343SS..SBendtrans100.5-157.4170.700000114.8K413 V461K413-G416 WeakPolarHBondContact CE-O 3.15Å; K413-G416 PolarHBondContact NZ-O 2.93Å; G416-V461 VanDerWaalsContact O-CG2 3.28Å; G416-V461 WeakPolarHBondContact O-CG2 3.45Å
417C85.8Confident86.2Confident32 Ų3254.5 Ų54.522%0.21633%0.325CS..  trans-69.3152.6-169.575.30000113.6K419 L457 F458C417-K419 PolarHBondContact O-N 3.08Å; C417-L457 CarbonylContact C-O 3.53Å; C417-L457 WeakPolarHBondContact CA-O 3.35Å; C417-L457 HydrophobicContact CB-CD1 3.81Å; C417-L457 HydrophobicContact CB-CG 3.99Å; C417-F458 HydrophobicContact CB-CD1 3.9Å; C417-F458 HydrophobicContact CB-CE1 3.57Å; C417-F458 HydrophobicContact CB-CZ 4.22Å
418N87.4Confident86.3Confident4 Ų454.9 Ų54.92%0.02132%0.318CS..SBendtrans-68.92.6178.4-71.6-48.7000114.5M420 C430 W431 I432 F446 R456 L457 Y459N418-M420 PolarHBondContact O-N 3.3Å; N418-C430 CarbonylContact O-C 3.5Å; N418-C430 WeakPolarHBondContact O-CA 3.26Å; N418-W431 HydrophobicContact CB-CB 4.34Å; N418-W431 PolarHBondContact O-N 2.71Å; N418-I432 HydrophobicContact CB-CD1 4.21Å; N418-I432 HydrophobicContact CB-CG1 4.19Å; N418-F446 HydrophobicContact CB-CE1 3.9Å; N418-F446 HydrophobicContact CB-CZ 4.02Å; N418-R456 PolarHBondContact ND2-O 3.27Å; N418-L457 PolarHBondContact N-O 3.36Å; N418-Y459 PolarHBondContact ND2-O 2.7Å
419K90.2Very high86.7Confident33 Ų3352.8 Ų52.814%0.14330%0.296CS..EExtended strand (participates in β ladder)trans-86.798.4169.2177.3-108.1159-160.80109.1C417 T421 Y428 L437 P442 Y443 F446 L457C417-K419 PolarHBondContact O-N 3.08Å; K419-T421 PolarHBondContact NZ-OG1 2.99Å; K419-Y428 VanDerWaalsContact NZ-CE1 3.28Å; K419-L437 HydrophobicContact CB-CD1 4.31Å; K419-L437 HydrophobicContact CG-CD1 3.81Å; K419-P442 HydrophobicContact CD-CB 4.4Å; K419-P442 HydrophobicContact CG-CB 4.16Å; K419-Y443 HydrophobicContact CB-CE1 4.37Å; K419-Y443 HydrophobicContact CD-CE1 4.42Å; K419-F446 HydrophobicContact CB-CE2 4.04Å; K419-L457 HydrophobicContact CB-CD1 4.14Å
420M90.3Very high86.9Confident26 Ų2650.6 Ų50.613%0.12828%0.283CS..EExtended strand (participates in β ladder)trans-93.1156.3-178.2-67.2-64.2-74.400112I411 K413 N418 Y428 F429 W431I411-M420 HydrophobicContact CG2-CE 3.76Å; K413-M420 HydrophobicContact CB-CE 4.11Å; K413-M420 HydrophobicContact CG-CE 4.49Å; K413-M420 HydrophobicContact CG-SD 4.33Å; N418-M420 PolarHBondContact O-N 3.3Å; M420-Y428 WeakPolarHBondContact O-CA 3.44Å; M420-F429 HydrophobicContact CB-CD1 4.01Å; M420-F429 HydrophobicContact CB-CD2 4.31Å; M420-F429 HydrophobicContact CB-CE1 3.53Å; M420-F429 HydrophobicContact CB-CE2 3.86Å; M420-F429 HydrophobicContact CB-CG 4.38Å; M420-F429 HydrophobicContact CB-CZ 3.45Å; M420-F429 VanDerWaalsContact CB-CZ 3.45Å; M420-F429 HydrophobicContact CG-CE2 4.42Å; M420-F429 HydrophobicContact CG-CZ 4.23Å; M420-F429 PolarHBondContact N-O 3.08Å; M420-F429 PolarHBondContact O-N 3.33Å; M420-W431 HydrophobicContact CE-CE3 4.17Å; M420-W431 HydrophobicContact CE-CZ3 4.14Å; M420-W431 HydrophobicContact CG-CB 3.82Å; M420-W431 HydrophobicContact CG-CD2 4.22Å; M420-W431 HydrophobicContact CG-CE3 3.74Å; M420-W431 HydrophobicContact CG-CG 4.32Å
421T90.6Very high87.1Confident55 Ų5549 Ų4934%0.33727%0.268SS..EExtended strand (participates in β ladder)trans-124118.9174.9-50.30000108.4K419 T423 Y428K419-T421 PolarHBondContact NZ-OG1 2.99Å; T421-T423 PolarHBondContact O-N 3.16Å; T421-Y428 HydrophobicContact CG2-CD1 3.8Å; T421-Y428 HydrophobicContact CG2-CE1 3.62Å; T421-Y428 VanDerWaalsContact OG1-CD1 3.3Å; T421-Y428 WeakPolarHBondContact OG1-CD1 3.36Å; T421-Y428 WeakPolarHBondContact OG1-CE1 3.33Å
422C90.1Very high87.1Confident0 Ų051.5 Ų51.50%028%0.281CS..  trans-62.9133.5179.1178.90000111.1C404 G424 C425 K426 Q427 F429C404-C422 HydrophobicContact CB-CB 4.26Å; C404-C422 VanDerWaalsContact SG-CB 3.6Å; C422-G424 PolarHBondContact SG-N 2.94Å; C422-G424 VanDerWaalsContact SG-N 3.43Å; C422-C425 VanDerWaalsContact SG-SG 3.64Å; C422-K426 WeakPolarHBondContact O-CA 3.47Å; C422-K426 PolarHBondContact O-N 3.42Å; C422-K426 VanDerWaalsContact O-N 3.08Å; C422-Q427 PolarHBondContact N-O 2.76Å; C422-F429 HydrophobicContact CB-CE1 4.34Å
423T89.7Confident87.1Confident92 Ų9249.6 Ų49.656%0.56428%0.277SS*.THydrogen-bonded Turntrans-67.9-36.1178.1500000112.6I411 T421 K426I411-T423 HydrophobicContact CD1-CG2 4.25Å; I411-T423 VanDerWaalsContact CD1-OG1 3.22Å; I411-T423 WeakPolarHBondContact CD1-OG1 3.37Å; T421-T423 PolarHBondContact O-N 3.16Å; T423-K426 WeakPolarHBondContact O-CE 3.43Å; T423-K426 PolarHBondContact O-NZ 2.98Å; T423-K426 VanDerWaalsContact O-NZ 3.15Å
424G88.1Confident87.4Confident52 Ų5250 Ų5054%0.53628%0.281SS..THydrogen-bonded Turntrans-76.2-65.3179.900000113.9C422C422-G424 PolarHBondContact SG-N 2.94Å; C422-G424 VanDerWaalsContact SG-N 3.43Å
425C90.4Very high88Confident40 Ų4044 Ų4427%0.2726%0.255SS..THydrogen-bonded Turntrans-95.2-3.1-173.771.80000114.9C407 C422 Q427C407-C425 HydrophobicContact CB-CB 4.08Å; C422-C425 VanDerWaalsContact SG-SG 3.64Å; C425-Q427 PolarHBondContact O-N 3.3Å; C425-Q427 WeakPolarHBondContact SG-CB 3.13Å
426K89.8Confident88.9Confident127 Ų12742.2 Ų42.255%0.55225%0.252SS*.  trans57.816.3-177.3-53.4-60.7-175.2-164.90114.9C422 T423C422-K426 WeakPolarHBondContact O-CA 3.47Å; C422-K426 PolarHBondContact O-N 3.42Å; C422-K426 VanDerWaalsContact O-N 3.08Å; T423-K426 WeakPolarHBondContact O-CE 3.43Å; T423-K426 PolarHBondContact O-NZ 2.98Å; T423-K426 VanDerWaalsContact O-NZ 3.15Å
427Q89.9Confident89.3Confident35 Ų3541.5 Ų41.516%0.16424%0.242CC..  trans-71.9136.7174.4-175.950.73800110.6C406 C422 C425 L437C406-Q427 HydrophobicContact CB-CB 4.19Å; C406-Q427 HydrophobicContact CB-CG 4.13Å; C422-Q427 PolarHBondContact N-O 2.76Å; C425-Q427 PolarHBondContact O-N 3.3Å; C425-Q427 WeakPolarHBondContact SG-CB 3.13Å; Q427-L437 PolarHBondContact NE2-O 2.97Å
428Y91.8Very high89.3Confident68 Ų6843 Ų4327%0.26725%0.253SS..EExtended strand (participates in β ladder)trans-80.1137171.2-58.8-43.1000109.7K419 M420 T421 L437 R439 P442K419-Y428 VanDerWaalsContact NZ-CE1 3.28Å; M420-Y428 WeakPolarHBondContact O-CA 3.44Å; T421-Y428 HydrophobicContact CG2-CD1 3.8Å; T421-Y428 HydrophobicContact CG2-CE1 3.62Å; T421-Y428 VanDerWaalsContact OG1-CD1 3.3Å; T421-Y428 WeakPolarHBondContact OG1-CD1 3.36Å; T421-Y428 WeakPolarHBondContact OG1-CE1 3.33Å; Y428-L437 PolarHBondContact O-N 3.5Å; Y428-R439 HydrophobicContact CD2-CG 4.27Å; Y428-R439 HydrophobicContact CE2-CG 4.38Å; Y428-P442 HydrophobicContact CD2-CB 4.2Å; Y428-P442 HydrophobicContact CD2-CG 3.65Å; Y428-P442 HydrophobicContact CE2-CG 3.97Å; Y428-P442 HydrophobicContact CG-CG 4.45Å
429F92.4Very high89.1Confident0 Ų050.8 Ų50.80%028%0.282CS..EExtended strand (participates in β ladder)trans-147.3160.2177.971.4-82000111P405 I411 M420 C422 W431 M434 G435 L437P405-F429 HydrophobicContact CG-CB 3.76Å; P405-F429 HydrophobicContact CG-CD2 4.35Å; P405-F429 HydrophobicContact CG-CG 4.11Å; I411-F429 HydrophobicContact CB-CZ 4.36Å; I411-F429 HydrophobicContact CG1-CZ 4.36Å; I411-F429 HydrophobicContact CG2-CZ 4.37Å; M420-F429 HydrophobicContact CB-CD1 4.01Å; M420-F429 HydrophobicContact CB-CD2 4.31Å; M420-F429 HydrophobicContact CB-CE1 3.53Å; M420-F429 HydrophobicContact CB-CE2 3.86Å; M420-F429 HydrophobicContact CB-CG 4.38Å; M420-F429 HydrophobicContact CB-CZ 3.45Å; M420-F429 VanDerWaalsContact CB-CZ 3.45Å; M420-F429 HydrophobicContact CG-CE2 4.42Å; M420-F429 HydrophobicContact CG-CZ 4.23Å; M420-F429 PolarHBondContact N-O 3.08Å; M420-F429 PolarHBondContact O-N 3.33Å; C422-F429 HydrophobicContact CB-CE1 4.34Å; F429-W431 AromaticContact CE2-CE3 3.99Å; F429-W431 HydrophobicContact CE2-CE3 3.99Å; F429-W431 HydrophobicContact CZ-CE3 4.23Å; F429-W431 HydrophobicContact CZ-CZ3 4.47Å; F429-M434 HydrophobicContact CD2-SD 4.16Å; F429-M434 HydrophobicContact CE2-SD 4Å; F429-G435 CarbonylContact C-O 3.54Å; F429-G435 VanDerWaalsContact CA-O 3.23Å; F429-G435 WeakPolarHBondContact CA-O 3.28Å; F429-G435 WeakPolarHBondContact CB-O 3.48Å; F429-L437 VanDerWaalsContact C-CD1 3.47Å
430C90.5Very high88.8Confident0 Ų054.2 Ų54.20%032%0.316CS..EExtended strand (participates in β ladder)trans-89.6127.9176.1179.40000110.5N418 I432 C433 M434 G435 L437 F446N418-C430 CarbonylContact O-C 3.5Å; N418-C430 WeakPolarHBondContact O-CA 3.26Å; C430-I432 VanDerWaalsContact C-N 3.27Å; C430-I432 PolarHBondContact O-N 3.4Å; C430-C433 VanDerWaalsContact CB-SG 3.54Å; C430-C433 VanDerWaalsContact SG-SG 3.67Å; C430-M434 VanDerWaalsContact O-CA 3.24Å; C430-M434 WeakPolarHBondContact O-CA 3.5Å; C430-M434 PolarHBondContact O-N 2.89Å; C430-G435 PolarHBondContact N-O 3.05Å; C430-L437 HydrophobicContact CB-CD1 4.47Å; C430-L437 HydrophobicContact CB-CD2 4.32Å; C430-F446 HydrophobicContact CB-CZ 4.16Å; C430-F446 VanDerWaalsContact SG-CZ 3.57Å
431W89.9Confident88.6Confident32 Ų3257 Ų5712%0.12133%0.331CS..THydrogen-bonded Turntrans-68.6-22.9-179.9-171.9-108.2000114.2K402 I411 K413 N418 M420 F429 M434K402-W431 HydrophobicContact CB-CE3 4.33Å; K402-W431 HydrophobicContact CB-CH2 3.76Å; K402-W431 HydrophobicContact CB-CZ2 4.28Å; K402-W431 HydrophobicContact CB-CZ3 3.78Å; K402-W431 HydrophobicContact CD-CD2 3.87Å; K402-W431 HydrophobicContact CD-CE3 4.18Å; K402-W431 HydrophobicContact CD-CH2 3.73Å; K402-W431 HydrophobicContact CD-CZ2 3.33Å; K402-W431 HydrophobicContact CD-CZ3 4.13Å; K402-W431 HydrophobicContact CG-CH2 4.15Å; K402-W431 HydrophobicContact CG-CZ2 4.18Å; K402-W431 PolarHBondContact NZ-O 2.98Å; I411-W431 HydrophobicContact CB-CZ3 4.37Å; I411-W431 HydrophobicContact CG2-CZ3 4.25Å; I411-W431 WeakPolarHBondContact O-CH2 3.45Å; I411-W431 WeakPolarHBondContact O-CZ3 3.38Å; K413-W431 HydrophobicContact CB-CD2 4.07Å; K413-W431 HydrophobicContact CB-CE3 4.4Å; K413-W431 HydrophobicContact CB-CH2 3.73Å; K413-W431 HydrophobicContact CB-CZ2 3.37Å; K413-W431 HydrophobicContact CB-CZ3 4.24Å; K413-W431 HydrophobicContact CD-CD2 4.13Å; K413-W431 HydrophobicContact CD-CG 3.95Å; K413-W431 HydrophobicContact CD-CZ2 4.5Å; N418-W431 HydrophobicContact CB-CB 4.34Å; N418-W431 PolarHBondContact O-N 2.71Å; M420-W431 HydrophobicContact CE-CE3 4.17Å; M420-W431 HydrophobicContact CE-CZ3 4.14Å; M420-W431 HydrophobicContact CG-CB 3.82Å; M420-W431 HydrophobicContact CG-CD2 4.22Å; M420-W431 HydrophobicContact CG-CE3 3.74Å; M420-W431 HydrophobicContact CG-CG 4.32Å; F429-W431 AromaticContact CE2-CE3 3.99Å; F429-W431 HydrophobicContact CE2-CE3 3.99Å; F429-W431 HydrophobicContact CZ-CE3 4.23Å; F429-W431 HydrophobicContact CZ-CZ3 4.47Å; W431-M434 VanDerWaalsContact O-CE 3.25Å; W431-M434 WeakPolarHBondContact O-CE 3.37Å
432I87.4Confident88.2Confident62 Ų6255.2 Ų55.232%0.31832%0.321SS..THydrogen-bonded Turntrans-79.1-56.4-178.8-60.1171.7000109.9N418 C430 R456N418-I432 HydrophobicContact CB-CD1 4.21Å; N418-I432 HydrophobicContact CB-CG1 4.19Å; C430-I432 VanDerWaalsContact C-N 3.27Å; C430-I432 PolarHBondContact O-N 3.4Å; I432-R456 HydrophobicContact CD1-CB 3.56Å; I432-R456 WeakPolarHBondContact CD1-O 3.41Å
433C87.6Confident88Confident50 Ų5060 Ų6034%0.33834%0.34SS..THydrogen-bonded Turntrans-101.1-2-171.367.30000114.5C430 G435 H445C430-C433 VanDerWaalsContact CB-SG 3.54Å; C430-C433 VanDerWaalsContact SG-SG 3.67Å; C433-G435 PolarHBondContact O-N 3.16Å; C433-G435 VanDerWaalsContact O-N 3.07Å; C433-G435 PolarHBondContact SG-N 2.79Å; C433-G435 VanDerWaalsContact SG-N 3.41Å; C433-H445 VanDerWaalsContact SG-CE1 3.6Å; C433-H445 PolarHBondContact SG-NE2 3.45Å
434M89.2Confident87.9Confident54 Ų5461.8 Ų61.827%0.26634%0.34SS..  trans56.119.4-172-59.9-59.1159.500114.3K402 P405 F429 C430 W431K402-M434 HydrophobicContact CB-CE 3.4Å; K402-M434 VanDerWaalsContact CB-CE 3.4Å; K402-M434 HydrophobicContact CB-SD 4.32Å; K402-M434 HydrophobicContact CD-CE 3.25Å; K402-M434 HydrophobicContact CG-CE 3.46Å; K402-M434 VanDerWaalsContact CG-CE 3.46Å; P405-M434 WeakPolarHBondContact CB-O 3.5Å; P405-M434 VanDerWaalsContact CG-O 3.26Å; P405-M434 WeakPolarHBondContact CG-O 3.43Å; F429-M434 HydrophobicContact CD2-SD 4.16Å; F429-M434 HydrophobicContact CE2-SD 4Å; C430-M434 VanDerWaalsContact O-CA 3.24Å; C430-M434 WeakPolarHBondContact O-CA 3.5Å; C430-M434 PolarHBondContact O-N 2.89Å; W431-M434 VanDerWaalsContact O-CE 3.25Å; W431-M434 WeakPolarHBondContact O-CE 3.37Å
435G86.6Confident87.8Confident25 Ų2561.4 Ų61.426%0.25832%0.324SS..PPolyproline II helixtrans-75.9137.7177.100000112.2F429 C430 C433F429-G435 CarbonylContact C-O 3.54Å; F429-G435 VanDerWaalsContact CA-O 3.23Å; F429-G435 WeakPolarHBondContact CA-O 3.28Å; F429-G435 WeakPolarHBondContact CB-O 3.48Å; C430-G435 PolarHBondContact N-O 3.05Å; C433-G435 PolarHBondContact O-N 3.16Å; C433-G435 VanDerWaalsContact O-N 3.07Å; C433-G435 PolarHBondContact SG-N 2.79Å; C433-G435 VanDerWaalsContact SG-N 3.41Å
436S89.5Confident87.7Confident75 Ų7559.6 Ų59.652%0.52431%0.311SS..BIsolated β-bridgetrans-71130.6173.5-69.70000110.9
437L88.7Confident87.5Confident10 Ų1058.6 Ų58.65%0.05231%0.312CS..PPolyproline II helixtrans-97.9146.2-178.7-60.3174.9000111.6K419 Q427 Y428 F429 C430 P442 H445 F446K419-L437 HydrophobicContact CB-CD1 4.31Å; K419-L437 HydrophobicContact CG-CD1 3.81Å; Q427-L437 PolarHBondContact NE2-O 2.97Å; Y428-L437 PolarHBondContact O-N 3.5Å; F429-L437 VanDerWaalsContact C-CD1 3.47Å; C430-L437 HydrophobicContact CB-CD1 4.47Å; C430-L437 HydrophobicContact CB-CD2 4.32Å; L437-P442 HydrophobicContact CB-CB 4.5Å; L437-H445 HydrophobicContact CD2-CB 3.33Å; L437-F446 HydrophobicContact CD1-CE2 4.17Å
438S85.4Confident87.3Confident64 Ų6459.7 Ų59.745%0.44832%0.319SS..PPolyproline II helixtrans-66.5142.2176.582.40000111.3A440 N441 P442S438-A440 VanDerWaalsContact C-N 3.35Å; S438-N441 CarbonylContact O-C 3.55Å; S438-N441 VanDerWaalsContact OG-C 3.29Å; S438-N441 PolarHBondContact OG-N 3.3Å; S438-N441 VanDerWaalsContact OG-N 3.08Å; S438-N441 PolarHBondContact OG-O 2.7Å; S438-P442 WeakPolarHBondContact O-CA 3.44Å; S438-P442 WeakPolarHBondContact O-CG 3.41Å
439R83.4Confident86.9Confident167 Ų16761.4 Ų61.463%0.6334%0.338SS*.SBendtrans-70.3-31.1174.6-72.7-173.5179.6-177.2-1.5113Y428Y428-R439 HydrophobicContact CD2-CG 4.27Å; Y428-R439 HydrophobicContact CE2-CG 4.38Å
440A83.9Confident86.5Confident104 Ų10465.7 Ų65.786%0.8637%0.374SS*.SBendtrans-72.3-37.8-178.700000112.6S438S438-A440 VanDerWaalsContact C-N 3.35Å
441N84.6Confident86.2Confident84 Ų8466.5 Ų66.545%0.44938%0.38SS..  trans-146.685.7175.1-166.1-16.2000111.2S438 Y443 K444S438-N441 CarbonylContact O-C 3.55Å; S438-N441 VanDerWaalsContact OG-C 3.29Å; S438-N441 PolarHBondContact OG-N 3.3Å; S438-N441 VanDerWaalsContact OG-N 3.08Å; S438-N441 PolarHBondContact OG-O 2.7Å; N441-Y443 VanDerWaalsContact C-N 3.25Å; N441-Y443 PolarHBondContact O-N 3.04Å; N441-Y443 PolarHBondContact OD1-N 3.25Å; N441-K444 HydrophobicContact CB-CB 4.43Å; N441-K444 PolarHBondContact OD1-N 3.32Å
442P83.5Confident85.9Confident18 Ų1869.9 Ų69.912%0.11741%0.406CS..THydrogen-bonded Turntrans-66.7-24.7-177.4-20.231.6000113.7K419 Y428 L437 S438K419-P442 HydrophobicContact CD-CB 4.4Å; K419-P442 HydrophobicContact CG-CB 4.16Å; Y428-P442 HydrophobicContact CD2-CB 4.2Å; Y428-P442 HydrophobicContact CD2-CG 3.65Å; Y428-P442 HydrophobicContact CE2-CG 3.97Å; Y428-P442 HydrophobicContact CG-CG 4.45Å; L437-P442 HydrophobicContact CB-CB 4.5Å; S438-P442 WeakPolarHBondContact O-CA 3.44Å; S438-P442 WeakPolarHBondContact O-CG 3.41Å
443Y86.1Confident85.9Confident101 Ų10167 Ų6740%0.39639%0.391SS..THydrogen-bonded Turntrans-88.6-13.6-174.1-62.9-79.7000113.9K419 N441 H445 F446 N447 L457K419-Y443 HydrophobicContact CB-CE1 4.37Å; K419-Y443 HydrophobicContact CD-CE1 4.42Å; N441-Y443 VanDerWaalsContact C-N 3.25Å; N441-Y443 PolarHBondContact O-N 3.04Å; N441-Y443 PolarHBondContact OD1-N 3.25Å; Y443-H445 PolarHBondContact O-N 3.32Å; Y443-H445 VanDerWaalsContact O-N 3.14Å; Y443-F446 PolarHBondContact O-N 3.15Å; Y443-N447 PolarHBondContact O-N 2.99Å; Y443-L457 HydrophobicContact CD1-CD1 3.93Å; Y443-L457 HydrophobicContact CD1-CD2 3.73Å; Y443-L457 HydrophobicContact CE1-CD1 3.99Å; Y443-L457 HydrophobicContact CE1-CD2 3.92Å
444K87.3Confident85.9Confident130 Ų13068.3 Ų68.357%0.56539%0.391SS*.Hα-helixtrans-52.2-38.5177-175-179.6176.7-175.50112.2N441 F446 N447 D448N441-K444 HydrophobicContact CB-CB 4.43Å; N441-K444 PolarHBondContact OD1-N 3.32Å; K444-F446 PolarHBondContact O-N 3.01Å; K444-N447 PolarHBondContact O-N 3.13Å; K444-N447 VanDerWaalsContact O-N 3.09Å; K444-D448 WeakPolarHBondContact O-CB 3.3Å; K444-D448 PolarHBondContact O-N 3.47Å
445H86.1Confident85.7Confident44 Ų4471.5 Ų71.520%0.20441%0.409CS..Hα-helixtrans-58.9-26.8178.1178.570.8000114.1C433 L437 Y443 S451 C453C433-H445 VanDerWaalsContact SG-CE1 3.6Å; C433-H445 PolarHBondContact SG-NE2 3.45Å; L437-H445 HydrophobicContact CD2-CB 3.33Å; Y443-H445 PolarHBondContact O-N 3.32Å; Y443-H445 VanDerWaalsContact O-N 3.14Å; H445-S451 PolarHBondContact CE1-OG 3.27Å; H445-S451 PolarHBondContact ND1-OG 3.39Å; H445-S451 VanDerWaalsContact ND1-OG 3.08Å; H445-S451 WeakPolarHBondContact O-CB 3.48Å; H445-S451 PolarHBondContact O-OG 3.49Å; H445-C453 WeakPolarHBondContact NE2-CB 3.08Å; H445-C453 PolarHBondContact NE2-SG 3.04Å
446F87.6Confident85.6Confident1 Ų175.6 Ų75.60%0.00442%0.417CS..Hα-helixtrans-94.5-16.1178.3-60.3-83.7000112.9N418 K419 C430 L437 Y443 K444 C453 F454 N455 L457N418-F446 HydrophobicContact CB-CE1 3.9Å; N418-F446 HydrophobicContact CB-CZ 4.02Å; K419-F446 HydrophobicContact CB-CE2 4.04Å; C430-F446 HydrophobicContact CB-CZ 4.16Å; C430-F446 VanDerWaalsContact SG-CZ 3.57Å; L437-F446 HydrophobicContact CD1-CE2 4.17Å; Y443-F446 PolarHBondContact O-N 3.15Å; K444-F446 PolarHBondContact O-N 3.01Å; F446-C453 HydrophobicContact CD1-CB 4.25Å; F446-C453 WeakPolarHBondContact CD1-O 3.5Å; F446-C453 HydrophobicContact CE1-CB 4.25Å; F446-F454 CarbonylContact O-C 3.58Å; F446-F454 WeakPolarHBondContact O-CA 3.48Å; F446-F454 WeakPolarHBondContact O-CD2 3.34Å; F446-N455 PolarHBondContact O-N 3.02Å; F446-L457 HydrophobicContact CB-CB 4.06Å; F446-L457 HydrophobicContact CD1-CB 3.96Å; F446-L457 HydrophobicContact CD1-CD1 4.19Å; F446-L457 HydrophobicContact CD2-CD1 3.65Å; F446-L457 HydrophobicContact CE1-CD1 4.24Å; F446-L457 HydrophobicContact CE2-CD1 3.73Å; F446-L457 HydrophobicContact CG-CB 3.95Å; F446-L457 HydrophobicContact CG-CD1 3.88Å; F446-L457 HydrophobicContact CG-CG 4.48Å; F446-L457 HydrophobicContact CZ-CD1 4.02Å
447N86.4Confident85.4Confident106 Ų10673.3 Ų73.357%0.56740%0.398SS*.Hα-helixtrans-103.6-2.9-178.8-64.6-18.3000113.2Y443 K444 F454Y443-N447 PolarHBondContact O-N 2.99Å; K444-N447 PolarHBondContact O-N 3.13Å; K444-N447 VanDerWaalsContact O-N 3.09Å; N447-F454 WeakPolarHBondContact O-CE2 3.29Å
448D85.9Confident85.2Confident58 Ų5879.5 Ų79.531%0.3143%0.425SS..  trans-92.8117.3179.7-168.8-20.4000110.7K444 A450 S451 F454K444-D448 WeakPolarHBondContact O-CB 3.3Å; K444-D448 PolarHBondContact O-N 3.47Å; D448-A450 PolarHBondContact O-N 3.33Å; D448-A450 VanDerWaalsContact O-N 3.12Å; D448-A450 WeakPolarHBondContact OD1-CB 3.24Å; D448-A450 PolarHBondContact OD1-N 3.23Å; D448-S451 VanDerWaalsContact O-CB 3.27Å; D448-S451 WeakPolarHBondContact O-CB 3.17Å; D448-S451 PolarHBondContact O-N 3.04Å; D448-F454 WeakPolarHBondContact O-CB 3.4Å; D448-F454 VanDerWaalsContact O-CD2 3.29Å; D448-F454 WeakPolarHBondContact O-CD2 2.88Å
449P83.6Confident84.5Confident104 Ų10483.3 Ų83.368%0.67543%0.431SS*.THydrogen-bonded Turntrans-59.2-20.9177.5-23.534000114.1S451 F454P449-S451 VanDerWaalsContact C-N 3.3Å; P449-F454 HydrophobicContact CG-CD2 4.47Å; P449-F454 HydrophobicContact CG-CE2 4.03Å; P449-F454 HydrophobicContact CG-CZ 4.16Å
450A83.8Confident83.4Confident90 Ų9078.3 Ų78.374%0.74443%0.425SS*.THydrogen-bonded Turntrans-81.2-9.4176.300000113.3D448D448-A450 PolarHBondContact O-N 3.33Å; D448-A450 VanDerWaalsContact O-N 3.12Å; D448-A450 WeakPolarHBondContact OD1-CB 3.24Å; D448-A450 PolarHBondContact OD1-N 3.23Å
451S84.3Confident82.2Confident18 Ų1875.3 Ų75.313%0.12640%0.396CS..SBendtrans-84139.9-179.6177.30000111.7H445 D448 P449 C453 F454H445-S451 PolarHBondContact CE1-OG 3.27Å; H445-S451 PolarHBondContact ND1-OG 3.39Å; H445-S451 VanDerWaalsContact ND1-OG 3.08Å; H445-S451 WeakPolarHBondContact O-CB 3.48Å; H445-S451 PolarHBondContact O-OG 3.49Å; D448-S451 VanDerWaalsContact O-CB 3.27Å; D448-S451 WeakPolarHBondContact O-CB 3.17Å; D448-S451 PolarHBondContact O-N 3.04Å; P449-S451 VanDerWaalsContact C-N 3.3Å; S451-C453 PolarHBondContact O-N 3.36Å; S451-C453 PolarHBondContact OG-N 3.08Å; S451-F454 PolarHBondContact O-N 2.9Å
452P83.1Confident80.4Confident103 Ų10377.4 Ų77.467%0.66941%0.407SS*.THydrogen-bonded Turntrans-63.9-11.417428.5-36.1000113.4
453C87.6Confident78.5Confident1 Ų182.6 Ų82.61%0.00744%0.438CS..THydrogen-bonded Turntrans-113.821.8180-55.10000113.4H445 F446 S451 N455 R456H445-C453 WeakPolarHBondContact NE2-CB 3.08Å; H445-C453 PolarHBondContact NE2-SG 3.04Å; F446-C453 HydrophobicContact CD1-CB 4.25Å; F446-C453 WeakPolarHBondContact CD1-O 3.5Å; F446-C453 HydrophobicContact CE1-CB 4.25Å; S451-C453 PolarHBondContact O-N 3.36Å; S451-C453 PolarHBondContact OG-N 3.08Å; C453-N455 PolarHBondContact O-N 3.13Å; C453-R456 PolarHBondContact O-N 3.48Å; C453-R456 VanDerWaalsContact O-N 3.11Å
454F88.2Confident76.3Confident78 Ų7884.4 Ų84.434%0.34246%0.455SS..THydrogen-bonded Turntrans-54.8131175.9-178-115.9000112.1F446 N447 D448 P449 S451 R456F446-F454 CarbonylContact O-C 3.58Å; F446-F454 WeakPolarHBondContact O-CA 3.48Å; F446-F454 WeakPolarHBondContact O-CD2 3.34Å; N447-F454 WeakPolarHBondContact O-CE2 3.29Å; D448-F454 WeakPolarHBondContact O-CB 3.4Å; D448-F454 VanDerWaalsContact O-CD2 3.29Å; D448-F454 WeakPolarHBondContact O-CD2 2.88Å; P449-F454 HydrophobicContact CG-CD2 4.47Å; P449-F454 HydrophobicContact CG-CE2 4.03Å; P449-F454 HydrophobicContact CG-CZ 4.16Å; S451-F454 PolarHBondContact O-N 2.9Å; F454-R456 PolarHBondContact O-N 3.44Å; F454-R456 VanDerWaalsContact O-N 3.14Å
455N84.1Confident73.8Confident121 Ų12185.4 Ų85.465%0.64747%0.466SS*.THydrogen-bonded Turntrans56.119.4-175.5-79.7-17.6000115.8F446 C453F446-N455 PolarHBondContact O-N 3.02Å; C453-N455 PolarHBondContact O-N 3.13Å
456R84.6Confident71.5Confident110 Ų11089.5 Ų89.542%0.41549%0.49SS..  trans-106.825.5179.6-62.8-173.4-177.6-159.1-0.6114.2N418 I432 C453 F454 F458 Y459N418-R456 PolarHBondContact ND2-O 3.27Å; I432-R456 HydrophobicContact CD1-CB 3.56Å; I432-R456 WeakPolarHBondContact CD1-O 3.41Å; C453-R456 PolarHBondContact O-N 3.48Å; C453-R456 VanDerWaalsContact O-N 3.11Å; F454-R456 PolarHBondContact O-N 3.44Å; F454-R456 VanDerWaalsContact O-N 3.14Å; R456-F458 PolarHBondContact O-N 3.39Å; R456-Y459 HydrophobicContact CG-CG 4.33Å; R456-Y459 PolarHBondContact O-N 3.06Å
457L84.5Confident69.2Low27 Ų2796 Ų9614%0.14152%0.524CS..THydrogen-bonded Turntrans-61.5-34.3-179.9-177.861.6000112.5C417 N418 K419 Y443 F446C417-L457 CarbonylContact C-O 3.53Å; C417-L457 WeakPolarHBondContact CA-O 3.35Å; C417-L457 HydrophobicContact CB-CD1 3.81Å; C417-L457 HydrophobicContact CB-CG 3.99Å; N418-L457 PolarHBondContact N-O 3.36Å; K419-L457 HydrophobicContact CB-CD1 4.14Å; Y443-L457 HydrophobicContact CD1-CD1 3.93Å; Y443-L457 HydrophobicContact CD1-CD2 3.73Å; Y443-L457 HydrophobicContact CE1-CD1 3.99Å; Y443-L457 HydrophobicContact CE1-CD2 3.92Å; F446-L457 HydrophobicContact CB-CB 4.06Å; F446-L457 HydrophobicContact CD1-CB 3.96Å; F446-L457 HydrophobicContact CD1-CD1 4.19Å; F446-L457 HydrophobicContact CD2-CD1 3.65Å; F446-L457 HydrophobicContact CE1-CD1 4.24Å; F446-L457 HydrophobicContact CE2-CD1 3.73Å; F446-L457 HydrophobicContact CG-CB 3.95Å; F446-L457 HydrophobicContact CG-CD1 3.88Å; F446-L457 HydrophobicContact CG-CG 4.48Å; F446-L457 HydrophobicContact CZ-CD1 4.02Å
458F84.3Confident67Low141 Ų141100.5 Ų100.562%0.61853%0.532SS*.THydrogen-bonded Turntrans-12117.3179.6-58.1-78000113C417 R456 V461C417-F458 HydrophobicContact CB-CD1 3.9Å; C417-F458 HydrophobicContact CB-CE1 3.57Å; C417-F458 HydrophobicContact CB-CZ 4.22Å; R456-F458 PolarHBondContact O-N 3.39Å; F458-V461 HydrophobicContact CB-CG2 4.22Å; F458-V461 WeakPolarHBondContact O-CG2 3.47Å
459Y71.4Confident64.6Low144 Ų144106 Ų10657%0.56556%0.557SS**THydrogen-bonded Turntrans-72.3132.9177.1-175.4-98.6000110N418 R456N418-Y459 PolarHBondContact ND2-O 2.7Å; R456-Y459 HydrophobicContact CG-CG 4.33Å; R456-Y459 PolarHBondContact O-N 3.06Å
460A60.9Low62.5Low62 Ų62107.4 Ų107.451%0.51256%0.558SS.*THydrogen-bonded Turntrans6141.7-174.600000114.2D462A460-D462 PolarHBondContact O-N 3.44Å
461V57.9Low60.5Low40 Ų40112.5 Ų112.524%0.24257%0.566CS.*  trans-86.593.6158.8-177.20000105D415 G416 F458 V463D415-V461 VanDerWaalsContact OD1-CG1 3.22Å; D415-V461 WeakPolarHBondContact OD1-CG1 3.47Å; G416-V461 VanDerWaalsContact O-CG2 3.28Å; G416-V461 WeakPolarHBondContact O-CG2 3.45Å; F458-V461 HydrophobicContact CB-CG2 4.22Å; F458-V461 WeakPolarHBondContact O-CG2 3.47Å; V461-V463 PolarHBondContact O-N 2.96Å
462D47.4Very low58.7Low129 Ų129117.8 Ų117.869%0.6960%0.598SS**  trans-64.5113.3173.7-64.3-43.1000107A460 D464A460-D462 PolarHBondContact O-N 3.44Å; D462-D464 PolarHBondContact O-N 2.88Å
463V44.3Very low56.9Low126 Ų126121.6 Ų121.676%0.76461%0.607SS**  trans-78.7107.7164.1-178.10000103.7V461 D465V461-V463 PolarHBondContact O-N 2.96Å; V463-D465 PolarHBondContact O-N 3.47Å
464D39Very low54.9Low139 Ų139133 Ų13374%0.74367%0.668SS**  trans-54103173.6-76.5-44.2000109D462 D466D462-D464 PolarHBondContact O-N 2.88Å; D464-D466 VanDerWaalsContact C-N 3.3Å; D464-D466 PolarHBondContact O-N 2.96Å
465D34.6Very low53.2Low151 Ų151135.8 Ų135.881%0.80768%0.684SS**  trans-75.194.5157.1-102-23.6000105.6V463 I467V463-D465 PolarHBondContact O-N 3.47Å; D465-I467 PolarHBondContact O-N 3.39Å
466D39.1Very low51.6Low131 Ų131136.5 Ų136.570%0.70169%0.686SS**  trans-46.794.7164.3-89.1-41.5000110.6D464 W468D464-D466 VanDerWaalsContact C-N 3.3Å; D464-D466 PolarHBondContact O-N 2.96Å; D466-W468 VanDerWaalsContact C-N 3.32Å; D466-W468 PolarHBondContact O-N 3.02Å; D466-W468 VanDerWaalsContact O-N 3.14Å
467I37.8Very low49.8Very low138 Ų138138 Ų13871%0.70870%0.701SS**  trans-81.385.3164.4-59.7178.2000107.4D465 E469D465-I467 PolarHBondContact O-N 3.39Å; I467-E469 HydrophobicContact CG2-CB 4.33Å; I467-E469 HydrophobicContact CG2-CG 3.85Å; I467-E469 PolarHBondContact O-N 2.95Å
468W39.6Very low47.8Very low199 Ų199144.5 Ų144.575%0.75473%0.734SS**  trans-81.190.1152.1-6679000107D466 D470D466-W468 VanDerWaalsContact C-N 3.32Å; D466-W468 PolarHBondContact O-N 3.02Å; D466-W468 VanDerWaalsContact O-N 3.14Å; W468-D470 VanDerWaalsContact C-N 3.32Å; W468-D470 PolarHBondContact O-N 2.88Å
469E37.2Very low45.5Very low175 Ų175144.8 Ų144.882%0.81874%0.741SS**  trans-8091.4158.4-87.3-179.4177.800107.3I467 E471I467-E469 HydrophobicContact CG2-CB 4.33Å; I467-E469 HydrophobicContact CG2-CG 3.85Å; I467-E469 PolarHBondContact O-N 2.95Å; E469-E471 PolarHBondContact O-N 3.01Å
470D39.4Very low43.7Very low132 Ų132144.8 Ų144.871%0.70675%0.753SS**  trans-60.5117.8161.9-77.1-38000108.6W468 V472W468-D470 VanDerWaalsContact C-N 3.32Å; W468-D470 PolarHBondContact O-N 2.88Å; D470-V472 PolarHBondContact O-N 3.21Å; D470-V472 VanDerWaalsContact O-N 3.12Å
471E41.8Very low42.5Very low197 Ų197150.7 Ų150.792%0.92177%0.77SS**  trans-60.1108.1162.7-75-179.7156.100108.7E469E469-E471 PolarHBondContact O-N 3.01Å
472V45.4Very low41.3Very low130 Ų130159.2 Ų159.279%0.78881%0.811SS**  trans-90114.6164-179.30000107.5D470D470-V472 PolarHBondContact O-N 3.21Å; D470-V472 VanDerWaalsContact O-N 3.12Å
473E45.6Very low40.8Very low182 Ų182161.8 Ų161.885%0.8582%0.821SS**  trans-54.7135.7166.5-68.1176.114500111.3
474D46.1Very low40.5Very low241 Ų241165 Ų165100%1.28983%0.826SS**  trans-140.20150.4-101.8-23.1000109.6

Retrieved 474 of 474 residues in 83.5 ms (Link to these results)

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