A0A087Y7M2_POEFO Loading...

SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1

AlphaFold DB , UniProt , Accession A0A087Y7M2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 375 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
1H31.5Very low52.7Low243 Ų243131.1 Ų131.1100%1.12573%0.731SS**  0117.80-85.2-91000108.4T3H1-T3 PolarHBondContact O-N 2.92Å
2V28Very low55.4Low142 Ų142135.6 Ų135.686%0.86174%0.742SS**  trans-75.9106.1178.2178.50000107.1M4V2-M4 PolarHBondContact O-N 3.15Å
3T28.6Very low58Low128 Ų128133.2 Ų133.279%0.78572%0.72SS**  trans-53.3109.4166.4-35.60000106.7H1 A5H1-T3 PolarHBondContact O-N 2.92Å; T3-A5 PolarHBondContact O-N 3.32Å
4M30.5Very low60.3Low185 Ų185124.5 Ų124.591%0.91167%0.674SS**  trans-65.787.1167.6-85.8-161.4-171.300106.6V2 L6V2-M4 PolarHBondContact O-N 3.15Å; M4-L6 PolarHBondContact O-N 2.89Å
5A32Very low62.2Low87 Ų87119.2 Ų119.272%0.71965%0.647SS**  trans-56.6110.8164.300000106.1T3 S7T3-A5 PolarHBondContact O-N 3.32Å; A5-S7 PolarHBondContact O-N 3.03Å
6L41.4Very low64Low163 Ų163119.3 Ų119.385%0.85364%0.639SS**  trans-43.8113.5164.1-81.2156.4000106.7M4 K8M4-L6 PolarHBondContact O-N 2.89Å; L6-K8 PolarHBondContact O-N 2.87Å
7S53.5Low65.5Low79 Ų79113.5 Ų113.555%0.55261%0.607SS**  trans-56112.8-176.263.60000107.5A5 T9A5-S7 PolarHBondContact O-N 3.03Å; S7-T9 PolarHBondContact O-N 2.81Å
8K77.7Confident66.8Low188 Ų188111.3 Ų111.382%0.81759%0.593SS**SBendtrans-64-1.9178.4-69.1-179179.1173.20112.4L6L6-K8 PolarHBondContact O-N 2.87Å
9T86.6Confident67.8Low34 Ų34106.4 Ų106.421%0.20957%0.567CS.*  trans-106.6171-177.462.30000112.4S7 Y35 R37 L91S7-T9 PolarHBondContact O-N 2.81Å; T9-Y35 CarbonylContact C-O 3.48Å; T9-Y35 WeakPolarHBondContact CA-O 3.49Å; T9-Y35 VanDerWaalsContact CB-CZ 3.48Å; T9-Y35 WeakPolarHBondContact CB-O 3.41Å; T9-Y35 HydrophobicContact CG2-CD1 4.04Å; T9-Y35 HydrophobicContact CG2-CE1 3.44Å; T9-Y35 VanDerWaalsContact CG2-CE1 3.44Å; T9-Y35 HydrophobicContact CG2-CE2 4.25Å; T9-R37 PolarHBondContact O-NE 2.84Å; T9-R37 VanDerWaalsContact O-NE 3.17Å; T9-R37 PolarHBondContact O-NH2 2.94Å; T9-L91 HydrophobicContact CG2-CD2 4.41Å
10F85.9Confident68.7Low132 Ų132107.9 Ų107.958%0.57957%0.57SS**  trans-146.8129.2178.1-177.5-96000111.4Y35 R37F10-Y35 PolarHBondContact N-O 3.49Å; F10-Y35 WeakPolarHBondContact O-CA 2.96Å; F10-Y35 VanDerWaalsContact O-CD2 3.31Å; F10-Y35 WeakPolarHBondContact O-CD2 3.35Å; F10-R37 HydrophobicContact CB-CG 3.84Å
11G84.2Confident68.9Low61 Ų61111.8 Ų111.863%0.62959%0.585SS**SBendtrans79.3-164.9-179.900000113.6Y35G11-Y35 WeakPolarHBondContact O-CE2 3.33Å
12Q85.6Confident71.1Confident185 Ų185108.1 Ų108.186%0.86457%0.574SS**SBendtrans-76149.5177.5-66.6-174-1.600111.1Y35Q12-Y35 VanDerWaalsContact O-CD2 3.22Å; Q12-Y35 WeakPolarHBondContact O-CD2 3.35Å
13K88.4Confident73.6Confident105 Ų105102.3 Ų102.346%0.45754%0.543SS..PPolyproline II helixtrans-59.3133.6176.3-173.4177.3174-174.80109.2Y35 E88K13-Y35 HydrophobicContact CB-CE2 4.31Å; K13-Y35 HydrophobicContact CG-CE1 4.42Å; K13-E88 IonicContact NZ-OE1 3.92Å; K13-E88 PolarHBondContact NZ-OE1 3.22Å; K13-E88 VanDerWaalsContact NZ-OE1 3.09Å
14P90.3Very high76.5Confident11 Ų11101.3 Ų101.37%0.07153%0.529CS..PPolyproline II helixtrans-55.2141178.5-25.933.3000111.8M27 E31 V32 Y35P14-M27 HydrophobicContact CB-SD 4.19Å; P14-E31 HydrophobicContact CB-CB 4.04Å; P14-E31 HydrophobicContact CG-CB 4.27Å; P14-V32 HydrophobicContact CB-CG2 4Å; P14-V32 HydrophobicContact CG-CB 4.47Å; P14-V32 HydrophobicContact CG-CG2 3.97Å; P14-Y35 VanDerWaalsContact CD-CG 3.46Å; P14-Y35 HydrophobicContact CG-CD1 4.2Å; P14-Y35 HydrophobicContact CG-CG 4Å
15V89.4Confident79.4Confident45 Ų4596.4 Ų96.427%0.27350%0.503SS..PPolyproline II helixtrans-76.4132.8-175-177.40000109.5H70V15-H70 VanDerWaalsContact CG2-CD2 3.44Å; V15-H70 WeakPolarHBondContact CG2-CD2 3.48Å
16K91.1Very high82.3Confident120 Ų12094.3 Ų94.352%0.52248%0.476SS..PPolyproline II helixtrans-88.6135.2170.963-178.9-179.1178.10110.1F25 Y26 M27K16-F25 HydrophobicContact CB-CD1 4.18Å; K16-F25 HydrophobicContact CD-CD1 4.28Å; K16-F25 HydrophobicContact CG-CD1 4.24Å; K16-Y26 WeakPolarHBondContact CA-O 3.44Å; K16-M27 HydrophobicContact CB-CE 4.03Å
17F89.3Confident84.8Confident21 Ų2186.6 Ų86.69%0.09244%0.436CS..EExtended strand (participates in β ladder)trans-142.3157.5177.855.7-89.2000111.1L19 F25 Y26 I28 I63 L81F17-L19 HydrophobicContact CD2-CD2 4.32Å; F17-L19 HydrophobicContact CE2-CD2 4.22Å; F17-F25 WeakPolarHBondContact O-CA 3.44Å; F17-Y26 WeakPolarHBondContact CD1-O 3.15Å; F17-Y26 PolarHBondContact N-O 2.67Å; F17-Y26 PolarHBondContact O-N 3.22Å; F17-I28 HydrophobicContact CE1-CD1 4.48Å; F17-I28 HydrophobicContact CE1-CG1 3.81Å; F17-I28 HydrophobicContact CZ-CG1 3.94Å; F17-I63 HydrophobicContact CD2-CG1 4.14Å; F17-I63 HydrophobicContact CE2-CD1 3.82Å; F17-I63 HydrophobicContact CE2-CG1 3.61Å; F17-I63 HydrophobicContact CZ-CD1 4.06Å; F17-I63 HydrophobicContact CZ-CG1 4.14Å; F17-L81 HydrophobicContact CE2-CD2 4.12Å; F17-L81 HydrophobicContact CZ-CD2 3.75Å
18Q89.5Confident86.7Confident75 Ų7583 Ų8335%0.3541%0.411SS..EExtended strand (participates in β ladder)trans-107.8151.8172.8-69.3171.7-54.100109.8G23 F25Q18-G23 PolarHBondContact NE2-O 3.23Å; Q18-F25 HydrophobicContact CG-CD1 3.58Å; Q18-F25 HydrophobicContact CG-CD2 4.04Å; Q18-F25 HydrophobicContact CG-CE1 3.49Å; Q18-F25 VanDerWaalsContact CG-CE1 3.49Å; Q18-F25 HydrophobicContact CG-CE2 3.96Å; Q18-F25 HydrophobicContact CG-CG 3.85Å; Q18-F25 HydrophobicContact CG-CZ 3.69Å
19L85Confident87.3Confident18 Ų1874.1 Ų74.19%0.09437%0.373CS..SBendtrans-101.2-13.8176-64.3170.2000112.4F17 Y26 E59 K62 I63 L81F17-L19 HydrophobicContact CD2-CD2 4.32Å; F17-L19 HydrophobicContact CE2-CD2 4.22Å; L19-Y26 HydrophobicContact CD1-CD2 3.86Å; L19-Y26 HydrophobicContact CD1-CE2 4Å; L19-Y26 HydrophobicContact CG-CD2 4.14Å; L19-Y26 HydrophobicContact CG-CE2 4.48Å; L19-E59 HydrophobicContact CD1-CB 4.24Å; L19-E59 HydrophobicContact CD1-CG 3.94Å; L19-E59 HydrophobicContact CD2-CB 4.29Å; L19-K62 HydrophobicContact CD2-CB 4.32Å; L19-K62 WeakPolarHBondContact O-CD 3.3Å; L19-K62 PolarHBondContact O-NZ 2.93Å; L19-I63 HydrophobicContact CD2-CD1 4.3Å; L19-I63 HydrophobicContact CD2-CG1 3.81Å; L19-L81 HydrophobicContact CD1-CD1 3.96Å
20E85.4Confident87.4Confident136 Ų13676.1 Ų76.164%0.63639%0.388SS*.SBendtrans-143.4152.3-176.9-60.8-178.3173.700108.9D22 G23E20-D22 PolarHBondContact O-N 3.24Å; E20-D22 VanDerWaalsContact O-N 3.15Å; E20-G23 PolarHBondContact O-N 3.22Å
21E73.3Confident87.7Confident189 Ų18972.1 Ų72.188%0.88337%0.371SS*.THydrogen-bonded Turntrans-61.8-24-168.8-70.9-178.7159.200114.5
22D77.4Confident88Confident167 Ų16769.3 Ų69.389%0.89334%0.342SS*.THydrogen-bonded Turntrans-127.326.2172.5-71.7-46.3000112E20E20-D22 PolarHBondContact O-N 3.24Å; E20-D22 VanDerWaalsContact O-N 3.15Å
23G80.5Confident88.2Confident20 Ų2060.7 Ų60.721%0.20630%0.302CS..PPolyproline II helixtrans-81.5166.9-174.500000114.3Q18 E20Q18-G23 PolarHBondContact NE2-O 3.23Å; E20-G23 PolarHBondContact O-N 3.22Å
24E89.3Confident88.3Confident107 Ų10759.5 Ų59.550%0.530%0.301SS..PPolyproline II helixtrans-57.9147.1168-75.8-74.916700111.7Y26E24-Y26 HydrophobicContact CB-CE1 4.47Å; E24-Y26 HydrophobicContact CB-CE2 4Å; E24-Y26 VanDerWaalsContact O-CD2 3.26Å; E24-Y26 WeakPolarHBondContact O-CD2 3.4Å; E24-Y26 WeakPolarHBondContact O-CE2 3.48Å
25F92Very high88.3Confident81 Ų8160.8 Ų60.836%0.35530%0.304SS..EExtended strand (participates in β ladder)trans-83.3138.1173.9-75.7-92.4000110.6K16 F17 Q18 A84K16-F25 HydrophobicContact CB-CD1 4.18Å; K16-F25 HydrophobicContact CD-CD1 4.28Å; K16-F25 HydrophobicContact CG-CD1 4.24Å; F17-F25 WeakPolarHBondContact O-CA 3.44Å; Q18-F25 HydrophobicContact CG-CD1 3.58Å; Q18-F25 HydrophobicContact CG-CD2 4.04Å; Q18-F25 HydrophobicContact CG-CE1 3.49Å; Q18-F25 VanDerWaalsContact CG-CE1 3.49Å; Q18-F25 HydrophobicContact CG-CE2 3.96Å; Q18-F25 HydrophobicContact CG-CG 3.85Å; Q18-F25 HydrophobicContact CG-CZ 3.69Å; F25-A84 HydrophobicContact CB-CB 3.56Å; F25-A84 WeakPolarHBondContact O-CB 3.43Å; F25-A84 PolarHBondContact O-N 2.76Å
26Y93.6Very high88.4Confident43 Ų4359.8 Ų59.817%0.16930%0.297CS..EExtended strand (participates in β ladder)trans-123.4159.3177.8-59.5-77.7000111.7K16 F17 L19 E24 W51 L81 L82 K83K16-Y26 WeakPolarHBondContact CA-O 3.44Å; F17-Y26 WeakPolarHBondContact CD1-O 3.15Å; F17-Y26 PolarHBondContact N-O 2.67Å; F17-Y26 PolarHBondContact O-N 3.22Å; L19-Y26 HydrophobicContact CD1-CD2 3.86Å; L19-Y26 HydrophobicContact CD1-CE2 4Å; L19-Y26 HydrophobicContact CG-CD2 4.14Å; L19-Y26 HydrophobicContact CG-CE2 4.48Å; E24-Y26 HydrophobicContact CB-CE1 4.47Å; E24-Y26 HydrophobicContact CB-CE2 4Å; E24-Y26 VanDerWaalsContact O-CD2 3.26Å; E24-Y26 WeakPolarHBondContact O-CD2 3.4Å; E24-Y26 WeakPolarHBondContact O-CE2 3.48Å; Y26-W51 HydrophobicContact CD1-CH2 4.1Å; Y26-W51 AromaticContact CD1-CZ3 3.85Å; Y26-W51 HydrophobicContact CD1-CZ3 3.85Å; Y26-W51 AromaticContact CE1-CH2 3.47Å; Y26-W51 HydrophobicContact CE1-CH2 3.47Å; Y26-W51 VanDerWaalsContact CE1-CH2 3.47Å; Y26-W51 AromaticContact CE1-CZ3 3.61Å; Y26-W51 HydrophobicContact CE1-CZ3 3.61Å; Y26-L81 HydrophobicContact CD1-CB 4.47Å; Y26-L82 CarbonylContact C-O 3.56Å; Y26-L82 WeakPolarHBondContact CA-O 3.37Å; Y26-K83 HydrophobicContact CE1-CG 4.19Å
27M93.3Very high88.3Confident1 Ų160.3 Ų60.31%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-129.9151.6169.8-65.9-178.6-179.500109.8P14 K16 G29 V32 L82 A84 V87 E88P14-M27 HydrophobicContact CB-SD 4.19Å; K16-M27 HydrophobicContact CB-CE 4.03Å; M27-G29 PolarHBondContact O-N 3.26Å; M27-V32 HydrophobicContact CB-CG2 3.7Å; M27-V32 HydrophobicContact SD-CG2 4.11Å; M27-L82 PolarHBondContact N-O 3.04Å; M27-L82 PolarHBondContact O-N 2.94Å; M27-A84 HydrophobicContact CE-CB 4.08Å; M27-A84 HydrophobicContact CG-CB 4.19Å; M27-V87 HydrophobicContact SD-CB 4.01Å; M27-V87 HydrophobicContact SD-CG1 3.65Å; M27-E88 HydrophobicContact CE-CG 4.23Å
28I92.2Very high88.3Confident5 Ų560.5 Ų60.53%0.02630%0.298CS..EExtended strand (participates in β ladder)trans-75.1121.6176.4-64.1174.4000109.3F17 S30 E31 V32 I63 Y72 L75 V79F17-I28 HydrophobicContact CE1-CD1 4.48Å; F17-I28 HydrophobicContact CE1-CG1 3.81Å; F17-I28 HydrophobicContact CZ-CG1 3.94Å; I28-S30 VanDerWaalsContact C-N 3.28Å; I28-S30 WeakPolarHBondContact CG2-OG 3.24Å; I28-S30 PolarHBondContact O-N 3.32Å; I28-E31 HydrophobicContact CB-CB 4.39Å; I28-E31 HydrophobicContact CB-CG 3.97Å; I28-E31 HydrophobicContact CG2-CG 4.06Å; I28-E31 WeakPolarHBondContact O-CB 3.46Å; I28-E31 PolarHBondContact O-N 3.04Å; I28-V32 WeakPolarHBondContact O-CG2 3.4Å; I28-V32 PolarHBondContact O-N 3.35Å; I28-I63 HydrophobicContact CD1-CG2 4.29Å; I28-Y72 HydrophobicContact CD1-CE1 4.19Å; I28-Y72 HydrophobicContact CD1-CE2 4.1Å; I28-L75 HydrophobicContact CD1-CD2 4.15Å; I28-V79 HydrophobicContact CG1-CG1 4.4Å; I28-V79 HydrophobicContact CG2-CG1 4.15Å
29G91.1Very high88.1Confident1 Ų162 Ų621%0.0130%0.303CS..Hα-helixtrans-61.2-30-175.300000114.7M27 G33 T80M27-G29 PolarHBondContact O-N 3.26Å; G29-G33 PolarHBondContact O-N 3.04Å; G29-T80 PolarHBondContact N-O 3.06Å
30S89.8Confident88.1Confident75 Ų7573.6 Ų73.652%0.52435%0.346SS..Hα-helixtrans-69.4-35.4173.853.80000112.7I28 N34I28-S30 VanDerWaalsContact C-N 3.28Å; I28-S30 WeakPolarHBondContact CG2-OG 3.24Å; I28-S30 PolarHBondContact O-N 3.32Å; S30-N34 WeakPolarHBondContact O-CB 3.15Å; S30-N34 PolarHBondContact O-N 3.42Å; S30-N34 PolarHBondContact O-ND2 2.83Å
31E90.3Very high87.9Confident49 Ų4968.8 Ų68.823%0.22933%0.333CS..Hα-helixtrans-72.3-43.5177.3-60.5-166.6152.100111.2P14 I28 G33 N34 Y35 Y72P14-E31 HydrophobicContact CB-CB 4.04Å; P14-E31 HydrophobicContact CG-CB 4.27Å; I28-E31 HydrophobicContact CB-CB 4.39Å; I28-E31 HydrophobicContact CB-CG 3.97Å; I28-E31 HydrophobicContact CG2-CG 4.06Å; I28-E31 WeakPolarHBondContact O-CB 3.46Å; I28-E31 PolarHBondContact O-N 3.04Å; E31-G33 VanDerWaalsContact C-N 3.32Å; E31-G33 PolarHBondContact O-N 3.46Å; E31-N34 PolarHBondContact O-N 3.23Å; E31-Y35 VanDerWaalsContact O-CB 3.25Å; E31-Y35 WeakPolarHBondContact O-CB 3.48Å; E31-Y35 PolarHBondContact O-N 3.1Å; E31-Y72 WeakPolarHBondContact OE1-CE1 3.31Å; E31-Y72 PolarHBondContact OE1-OH 3.19Å; E31-Y72 PolarHBondContact OE2-OH 2.92Å; E31-Y72 VanDerWaalsContact OE2-OH 3.07Å
32V91.1Very high88.7Confident2 Ų262.1 Ų62.11%0.01231%0.307CS..Hα-helixtrans-59.5-45173.7176.90000110.8P14 M27 I28 N34 Y35 L36 L43 L82 V87P14-V32 HydrophobicContact CB-CG2 4Å; P14-V32 HydrophobicContact CG-CB 4.47Å; P14-V32 HydrophobicContact CG-CG2 3.97Å; M27-V32 HydrophobicContact CB-CG2 3.7Å; M27-V32 HydrophobicContact SD-CG2 4.11Å; I28-V32 WeakPolarHBondContact O-CG2 3.4Å; I28-V32 PolarHBondContact O-N 3.35Å; V32-N34 PolarHBondContact O-N 2.96Å; V32-Y35 PolarHBondContact O-N 3.25Å; V32-L36 HydrophobicContact CG1-CD1 3.88Å; V32-L36 WeakPolarHBondContact O-CB 3.21Å; V32-L36 WeakPolarHBondContact O-CG 3.26Å; V32-L36 PolarHBondContact O-N 3.25Å; V32-L43 HydrophobicContact CB-CD2 4.44Å; V32-L43 HydrophobicContact CG1-CD2 4.06Å; V32-L82 HydrophobicContact CB-CD1 3.93Å; V32-L82 HydrophobicContact CG1-CD1 3.93Å; V32-L82 HydrophobicContact CG2-CD1 4.14Å; V32-V87 HydrophobicContact CB-CG1 4.45Å; V32-V87 HydrophobicContact CG1-CG1 3.62Å; V32-V87 HydrophobicContact CG1-CG2 4.06Å; V32-V87 HydrophobicContact CG2-CG1 3.92Å; V32-V87 HydrophobicContact CG2-CG2 4.22Å
33G90.4Very high89.3Confident4 Ų454.2 Ų54.24%0.04127%0.265CS..Hα-helixtrans-59.5-46.8175.200000112.5G29 E31 L36 R37 M38G29-G33 PolarHBondContact O-N 3.04Å; E31-G33 VanDerWaalsContact C-N 3.32Å; E31-G33 PolarHBondContact O-N 3.46Å; G33-L36 PolarHBondContact O-N 3.45Å; G33-R37 PolarHBondContact O-N 3.44Å; G33-R37 VanDerWaalsContact O-N 3.15Å; G33-M38 CarbonylContact O-C 3.55Å; G33-M38 WeakPolarHBondContact O-CA 3.48Å; G33-M38 PolarHBondContact O-N 3.48Å
34N89.5Confident89.9Confident80 Ų8055.1 Ų55.143%0.42826%0.262SS..Hα-helixtrans-65.8-42.7178.2-71.2-14.8000112.2S30 E31 V32 L36 R37 F39S30-N34 WeakPolarHBondContact O-CB 3.15Å; S30-N34 PolarHBondContact O-N 3.42Å; S30-N34 PolarHBondContact O-ND2 2.83Å; E31-N34 PolarHBondContact O-N 3.23Å; V32-N34 PolarHBondContact O-N 2.96Å; N34-L36 VanDerWaalsContact C-N 3.31Å; N34-L36 PolarHBondContact O-N 3.05Å; N34-R37 PolarHBondContact O-N 2.62Å; N34-F39 HydrophobicContact CB-CE1 4.28Å; N34-F39 VanDerWaalsContact OD1-CD1 3.28Å; N34-F39 WeakPolarHBondContact OD1-CD1 3.37Å; N34-F39 WeakPolarHBondContact OD1-CE1 3.47Å
35Y91.6Very high89.9Confident37 Ų3758.8 Ų58.815%0.14528%0.277CS..Hα-helixtrans-62-39.8178.8-178.5-110000111.8T9 F10 G11 Q12 K13 P14 E31 V32 R37 L91T9-Y35 CarbonylContact C-O 3.48Å; T9-Y35 WeakPolarHBondContact CA-O 3.49Å; T9-Y35 VanDerWaalsContact CB-CZ 3.48Å; T9-Y35 WeakPolarHBondContact CB-O 3.41Å; T9-Y35 HydrophobicContact CG2-CD1 4.04Å; T9-Y35 HydrophobicContact CG2-CE1 3.44Å; T9-Y35 VanDerWaalsContact CG2-CE1 3.44Å; T9-Y35 HydrophobicContact CG2-CE2 4.25Å; F10-Y35 PolarHBondContact N-O 3.49Å; F10-Y35 WeakPolarHBondContact O-CA 2.96Å; F10-Y35 VanDerWaalsContact O-CD2 3.31Å; F10-Y35 WeakPolarHBondContact O-CD2 3.35Å; G11-Y35 WeakPolarHBondContact O-CE2 3.33Å; Q12-Y35 VanDerWaalsContact O-CD2 3.22Å; Q12-Y35 WeakPolarHBondContact O-CD2 3.35Å; K13-Y35 HydrophobicContact CB-CE2 4.31Å; K13-Y35 HydrophobicContact CG-CE1 4.42Å; P14-Y35 VanDerWaalsContact CD-CG 3.46Å; P14-Y35 HydrophobicContact CG-CD1 4.2Å; P14-Y35 HydrophobicContact CG-CG 4Å; E31-Y35 VanDerWaalsContact O-CB 3.25Å; E31-Y35 WeakPolarHBondContact O-CB 3.48Å; E31-Y35 PolarHBondContact O-N 3.1Å; V32-Y35 PolarHBondContact O-N 3.25Å; Y35-R37 VanDerWaalsContact C-N 3.26Å; Y35-R37 PolarHBondContact O-N 3.01Å; Y35-L91 HydrophobicContact CD1-CD2 3.99Å; Y35-L91 HydrophobicContact CE1-CD1 4.2Å; Y35-L91 HydrophobicContact CE1-CD2 3.57Å
36L90.2Very high89.7Confident24 Ų2461.3 Ų61.313%0.12628%0.284CS..THydrogen-bonded Turntrans-82.73.3175.6-69.2174.9000113.9V32 G33 N34 M38 L43 I90 L91V32-L36 HydrophobicContact CG1-CD1 3.88Å; V32-L36 WeakPolarHBondContact O-CB 3.21Å; V32-L36 WeakPolarHBondContact O-CG 3.26Å; V32-L36 PolarHBondContact O-N 3.25Å; G33-L36 PolarHBondContact O-N 3.45Å; N34-L36 VanDerWaalsContact C-N 3.31Å; N34-L36 PolarHBondContact O-N 3.05Å; L36-M38 HydrophobicContact CB-CB 4.48Å; L36-M38 HydrophobicContact CB-CE 4.31Å; L36-M38 HydrophobicContact CB-CG 4.06Å; L36-M38 HydrophobicContact CB-SD 4.4Å; L36-M38 WeakPolarHBondContact O-CG 3.32Å; L36-M38 PolarHBondContact O-N 3.49Å; L36-L43 HydrophobicContact CD1-CD1 3.76Å; L36-I90 HydrophobicContact CD1-CG2 4.15Å; L36-L91 HydrophobicContact CD2-CD2 3.54Å; L36-L91 HydrophobicContact CG-CD2 4.43Å
37R89.4Confident89.7Confident132 Ų13259.6 Ų59.650%0.49828%0.277SS..THydrogen-bonded Turntrans56.826.8-173.3-52.1-178.3-179-157-1.1113.7T9 F10 G33 N34 Y35 F39T9-R37 PolarHBondContact O-NE 2.84Å; T9-R37 VanDerWaalsContact O-NE 3.17Å; T9-R37 PolarHBondContact O-NH2 2.94Å; F10-R37 HydrophobicContact CB-CG 3.84Å; G33-R37 PolarHBondContact O-N 3.44Å; G33-R37 VanDerWaalsContact O-N 3.15Å; N34-R37 PolarHBondContact O-N 2.62Å; Y35-R37 VanDerWaalsContact C-N 3.26Å; Y35-R37 PolarHBondContact O-N 3.01Å; R37-F39 HydrophobicContact CB-CE2 4.12Å; R37-F39 HydrophobicContact CB-CZ 4.45Å; R37-F39 WeakPolarHBondContact O-CD2 3.22Å
38M89.1Confident89.6Confident25 Ų2562.7 Ų62.712%0.12330%0.297CS..  trans-103.777.6178.1-61.5-171.1-165.600110.6G33 L36 S42 L43 R46 Y47G33-M38 CarbonylContact O-C 3.55Å; G33-M38 WeakPolarHBondContact O-CA 3.48Å; G33-M38 PolarHBondContact O-N 3.48Å; L36-M38 HydrophobicContact CB-CB 4.48Å; L36-M38 HydrophobicContact CB-CE 4.31Å; L36-M38 HydrophobicContact CB-CG 4.06Å; L36-M38 HydrophobicContact CB-SD 4.4Å; L36-M38 WeakPolarHBondContact O-CG 3.32Å; L36-M38 PolarHBondContact O-N 3.49Å; M38-S42 WeakPolarHBondContact CA-OG 3.21Å; M38-S42 WeakPolarHBondContact CB-OG 3.35Å; M38-S42 PolarHBondContact O-OG 2.93Å; M38-L43 HydrophobicContact CB-CB 3.91Å; M38-L43 HydrophobicContact CB-CD1 4.39Å; M38-L43 HydrophobicContact SD-CB 4.47Å; M38-L43 HydrophobicContact SD-CD1 3.75Å; M38-R46 VanDerWaalsContact CE-CD 3.46Å; M38-R46 HydrophobicContact SD-CB 4.42Å; M38-Y47 HydrophobicContact CE-CE2 3.87Å; M38-Y47 HydrophobicContact SD-CD2 4.45Å; M38-Y47 HydrophobicContact SD-CE2 3.85Å
39F86.6Confident89.6Confident107 Ų10766.1 Ų66.147%0.46932%0.321SS..THydrogen-bonded Turntrans-76.1159.3-175.1-54.6-74.2000113.7N34 R37 G41 S42N34-F39 HydrophobicContact CB-CE1 4.28Å; N34-F39 VanDerWaalsContact OD1-CD1 3.28Å; N34-F39 WeakPolarHBondContact OD1-CD1 3.37Å; N34-F39 WeakPolarHBondContact OD1-CE1 3.47Å; R37-F39 HydrophobicContact CB-CE2 4.12Å; R37-F39 HydrophobicContact CB-CZ 4.45Å; R37-F39 WeakPolarHBondContact O-CD2 3.22Å; F39-G41 VanDerWaalsContact C-N 3.3Å; F39-G41 PolarHBondContact O-N 2.5Å; F39-S42 PolarHBondContact N-OG 3.07Å; F39-S42 VanDerWaalsContact N-OG 3.12Å; F39-S42 WeakPolarHBondContact O-CB 3.21Å; F39-S42 PolarHBondContact O-N 2.91Å; F39-S42 PolarHBondContact O-OG 2.84Å
40R83.3Confident89.7Confident260 Ų26066.4 Ų66.498%0.98132%0.323SS*.THydrogen-bonded Turntrans51.243.9166-61.1-179.7176.4149.3-0.8114.1S42R40-S42 VanDerWaalsContact C-N 3.33Å; R40-S42 PolarHBondContact O-N 3.4Å
41G83Confident89.9Confident35 Ų3566.7 Ų66.736%0.36131%0.312SS..THydrogen-bonded Turntrans82.70.4175.500000115.6F39 L43 Y44 K45F39-G41 VanDerWaalsContact C-N 3.3Å; F39-G41 PolarHBondContact O-N 2.5Å; G41-L43 PolarHBondContact O-N 3.49Å; G41-Y44 PolarHBondContact O-N 3.33Å; G41-Y44 VanDerWaalsContact O-N 3.14Å; G41-K45 PolarHBondContact O-N 2.86Å
42S89Confident90.1Very high49 Ų4970.8 Ų70.834%0.34333%0.326SS..Hα-helixtrans-59.7-29.2173.156.90000113M38 F39 R40 Y44 K45 R46M38-S42 WeakPolarHBondContact CA-OG 3.21Å; M38-S42 WeakPolarHBondContact CB-OG 3.35Å; M38-S42 PolarHBondContact O-OG 2.93Å; F39-S42 PolarHBondContact N-OG 3.07Å; F39-S42 VanDerWaalsContact N-OG 3.12Å; F39-S42 WeakPolarHBondContact O-CB 3.21Å; F39-S42 PolarHBondContact O-N 2.91Å; F39-S42 PolarHBondContact O-OG 2.84Å; R40-S42 VanDerWaalsContact C-N 3.33Å; R40-S42 PolarHBondContact O-N 3.4Å; S42-Y44 VanDerWaalsContact C-N 3.32Å; S42-Y44 PolarHBondContact O-N 3.34Å; S42-K45 PolarHBondContact O-N 2.86Å; S42-R46 WeakPolarHBondContact O-CB 3.39Å; S42-R46 PolarHBondContact O-N 3.05Å
43L90.4Very high90.2Very high2 Ų274.6 Ų74.61%0.0134%0.342CS..Hα-helixtrans-52.5-51172.2179.867.2000111.3V32 L36 M38 G41 K45 R46 Y47 L82V32-L43 HydrophobicContact CB-CD2 4.44Å; V32-L43 HydrophobicContact CG1-CD2 4.06Å; L36-L43 HydrophobicContact CD1-CD1 3.76Å; M38-L43 HydrophobicContact CB-CB 3.91Å; M38-L43 HydrophobicContact CB-CD1 4.39Å; M38-L43 HydrophobicContact SD-CB 4.47Å; M38-L43 HydrophobicContact SD-CD1 3.75Å; G41-L43 PolarHBondContact O-N 3.49Å; L43-K45 VanDerWaalsContact C-N 3.34Å; L43-K45 PolarHBondContact O-N 3.09Å; L43-R46 PolarHBondContact O-N 2.89Å; L43-Y47 HydrophobicContact CD1-CD2 3.88Å; L43-Y47 HydrophobicContact CD1-CE2 4.17Å; L43-Y47 WeakPolarHBondContact O-CD2 3.37Å; L43-Y47 PolarHBondContact O-N 3.34Å; L43-L82 HydrophobicContact CD2-CD1 3.89Å
44Y92.3Very high90.3Very high38 Ų3879.7 Ų79.715%0.14937%0.368CS..Hα-helixtrans-77.7-21.4-177.4-46.9-65.2000113.2G41 S42 Y47 P48 R52 T80 L82G41-Y44 PolarHBondContact O-N 3.33Å; G41-Y44 VanDerWaalsContact O-N 3.14Å; S42-Y44 VanDerWaalsContact C-N 3.32Å; S42-Y44 PolarHBondContact O-N 3.34Å; Y44-Y47 CarbonylContact O-C 3.56Å; Y44-P48 WeakPolarHBondContact O-CA 3.47Å; Y44-R52 VanDerWaalsContact CD2-NH1 3.28Å; Y44-R52 HydrophobicContact CE1-CB 4.49Å; Y44-T80 HydrophobicContact CE1-CG2 4.31Å; Y44-T80 WeakPolarHBondContact OH-CG2 3.07Å; Y44-L82 HydrophobicContact CE1-CD2 4.11Å
45K89Confident90.3Very high185 Ų18576.1 Ų76.180%0.80435%0.35SS*.Hα-helixtrans-74.5-36.4173.1-164.6179.6-177.3-178.80111G41 S42 L43G41-K45 PolarHBondContact O-N 2.86Å; S42-K45 PolarHBondContact O-N 2.86Å; L43-K45 VanDerWaalsContact C-N 3.34Å; L43-K45 PolarHBondContact O-N 3.09Å
46R88.4Confident90.2Very high134 Ų13477 Ų7751%0.50636%0.359SS..Hα-helixtrans-75.4-37.4176-173.8171176.7146.62.2112.1M38 S42 L43 P48M38-R46 VanDerWaalsContact CE-CD 3.46Å; M38-R46 HydrophobicContact SD-CB 4.42Å; S42-R46 WeakPolarHBondContact O-CB 3.39Å; S42-R46 PolarHBondContact O-N 3.05Å; L43-R46 PolarHBondContact O-N 2.89Å; R46-P48 VanDerWaalsContact C-CD 3.43Å; R46-P48 VanDerWaalsContact O-CD 3.3Å; R46-P48 WeakPolarHBondContact O-CD 3.49Å
47Y93.1Very high90Very high7 Ų780.3 Ų80.33%0.02738%0.38CS..  trans-119.673.2178.8-53.3-62.6000111.1M38 L43 Y44 S49 L50 I90 D95 Y98 K99M38-Y47 HydrophobicContact CE-CE2 3.87Å; M38-Y47 HydrophobicContact SD-CD2 4.45Å; M38-Y47 HydrophobicContact SD-CE2 3.85Å; L43-Y47 HydrophobicContact CD1-CD2 3.88Å; L43-Y47 HydrophobicContact CD1-CE2 4.17Å; L43-Y47 WeakPolarHBondContact O-CD2 3.37Å; L43-Y47 PolarHBondContact O-N 3.34Å; Y44-Y47 CarbonylContact O-C 3.56Å; Y47-S49 PolarHBondContact O-N 2.95Å; Y47-L50 VanDerWaalsContact O-CB 3.24Å; Y47-L50 WeakPolarHBondContact O-CB 3.36Å; Y47-L50 PolarHBondContact O-N 3.27Å; Y47-I90 HydrophobicContact CD1-CD1 4.42Å; Y47-I90 HydrophobicContact CD2-CD1 3.99Å; Y47-I90 HydrophobicContact CE2-CD1 4.23Å; Y47-I90 HydrophobicContact CE2-CG2 3.99Å; Y47-I90 HydrophobicContact CG-CD1 4.09Å; Y47-D95 HydrophobicContact CE1-CB 3.67Å; Y47-D95 WeakPolarHBondContact CE1-OD2 3.33Å; Y47-D95 VanDerWaalsContact CZ-OD2 3.26Å; Y47-D95 PolarHBondContact OH-OD2 3.47Å; Y47-Y98 CarbonylContact C-O 3.58Å; Y47-Y98 VanDerWaalsContact CA-O 3.24Å; Y47-Y98 WeakPolarHBondContact CA-O 3.24Å; Y47-K99 HydrophobicContact CD1-CG 3.97Å; Y47-K99 HydrophobicContact CE1-CG 3.85Å
48P91.6Very high89.8Confident66 Ų6680 Ų8043%0.42938%0.384SS..THydrogen-bonded Turntrans-66.6-26.1-177.925.3-32.9000113.1Y44 R46 L50 Y98 A100Y44-P48 WeakPolarHBondContact O-CA 3.47Å; R46-P48 VanDerWaalsContact C-CD 3.43Å; R46-P48 VanDerWaalsContact O-CD 3.3Å; R46-P48 WeakPolarHBondContact O-CD 3.49Å; P48-L50 VanDerWaalsContact C-N 3.29Å; P48-Y98 WeakPolarHBondContact CD-O 3.3Å; P48-A100 HydrophobicContact CG-CB 3.87Å
49S92.3Very high89.8Confident76 Ų7680.4 Ų80.453%0.53139%0.385SS..THydrogen-bonded Turntrans-86.22178.4-53.20000113.1Y47 W51 Y98Y47-S49 PolarHBondContact O-N 2.95Å; S49-W51 PolarHBondContact O-N 3.02Å; S49-Y98 PolarHBondContact N-O 2.99Å
50L93.4Very high89.7Confident8 Ų878.4 Ų78.44%0.04238%0.375CS..SBendtrans-69127177.5-169.265.5000110.3Y47 P48 R52 L82 E86 I90 Y98Y47-L50 VanDerWaalsContact O-CB 3.24Å; Y47-L50 WeakPolarHBondContact O-CB 3.36Å; Y47-L50 PolarHBondContact O-N 3.27Å; P48-L50 VanDerWaalsContact C-N 3.29Å; L50-R52 PolarHBondContact O-N 3.41Å; L50-L82 HydrophobicContact CD2-CD1 4.1Å; L50-L82 HydrophobicContact CD2-CD2 3.64Å; L50-L82 HydrophobicContact CG-CD2 3.91Å; L50-E86 HydrophobicContact CD1-CB 3.75Å; L50-E86 WeakPolarHBondContact CD1-OE2 3.49Å; L50-I90 HydrophobicContact CD1-CD1 3.66Å; L50-I90 HydrophobicContact CD2-CD1 4.26Å; L50-Y98 HydrophobicContact CD1-CD1 4.13Å; L50-Y98 HydrophobicContact CD1-CE1 4.34Å; L50-Y98 HydrophobicContact CD1-CG 4.46Å
51W93.9Very high89.7Confident81 Ų8172.4 Ų72.431%0.30736%0.356SS..  trans-65.4134.9176.917993.3000110.1Y26 S49 K53 L82 K83 E86Y26-W51 HydrophobicContact CD1-CH2 4.1Å; Y26-W51 AromaticContact CD1-CZ3 3.85Å; Y26-W51 HydrophobicContact CD1-CZ3 3.85Å; Y26-W51 AromaticContact CE1-CH2 3.47Å; Y26-W51 HydrophobicContact CE1-CH2 3.47Å; Y26-W51 VanDerWaalsContact CE1-CH2 3.47Å; Y26-W51 AromaticContact CE1-CZ3 3.61Å; Y26-W51 HydrophobicContact CE1-CZ3 3.61Å; S49-W51 PolarHBondContact O-N 3.02Å; W51-K53 HydrophobicContact CH2-CB 3.65Å; W51-K53 HydrophobicContact CH2-CD 4.44Å; W51-K53 HydrophobicContact CZ2-CB 3.72Å; W51-K53 HydrophobicContact CZ2-CD 4.39Å; W51-K53 HydrophobicContact CZ3-CB 4.35Å; W51-L82 WeakPolarHBondContact O-CD2 3.42Å; W51-K83 HydrophobicContact CB-CD 4.47Å; W51-K83 HydrophobicContact CD2-CD 4.2Å; W51-K83 HydrophobicContact CD2-CG 4.05Å; W51-K83 HydrophobicContact CE3-CB 4.28Å; W51-K83 HydrophobicContact CE3-CD 4.21Å; W51-K83 HydrophobicContact CE3-CG 3.55Å; W51-K83 HydrophobicContact CG-CD 4.34Å; W51-K83 HydrophobicContact CZ3-CG 3.87Å; W51-E86 WeakPolarHBondContact CB-OE1 3.47Å; W51-E86 VanDerWaalsContact CB-OE2 3.24Å; W51-E86 WeakPolarHBondContact CB-OE2 3.43Å; W51-E86 PolarHBondContact N-OE2 3.15Å
52R94.1Very high89.8Confident135 Ų13575 Ų7551%0.50936%0.357SS..EExtended strand (participates in β ladder)trans-150.4145.9176.163.7-173.2173.1168.2-2.9111.5Y44 L50 T80 L81 L82Y44-R52 VanDerWaalsContact CD2-NH1 3.28Å; Y44-R52 HydrophobicContact CE1-CB 4.49Å; L50-R52 PolarHBondContact O-N 3.41Å; R52-T80 HydrophobicContact CB-CG2 3.78Å; R52-T80 HydrophobicContact CG-CG2 4.49Å; R52-L81 VanDerWaalsContact CA-O 3.3Å; R52-L81 WeakPolarHBondContact CA-O 3.25Å; R52-L82 HydrophobicContact CB-CD2 3.85Å
53K93.1Very high89.5Confident81 Ų8172.8 Ų72.835%0.35234%0.341SS..EExtended strand (participates in β ladder)trans-136.5146.6176165.2178.8163-168.40109.8W51 E59 T80 L81W51-K53 HydrophobicContact CH2-CB 3.65Å; W51-K53 HydrophobicContact CH2-CD 4.44Å; W51-K53 HydrophobicContact CZ2-CB 3.72Å; W51-K53 HydrophobicContact CZ2-CD 4.39Å; W51-K53 HydrophobicContact CZ3-CB 4.35Å; K53-E59 WeakPolarHBondContact CE-OE2 3.41Å; K53-E59 IonicContact NZ-OE1 3.46Å; K53-E59 PolarHBondContact NZ-OE1 3.36Å; K53-E59 IonicContact NZ-OE2 3.2Å; K53-E59 PolarHBondContact NZ-OE2 3.24Å; K53-T80 CarbonylContact O-C 3.59Å; K53-T80 WeakPolarHBondContact O-CA 3.48Å; K53-L81 PolarHBondContact N-O 3.23Å; K53-L81 VanDerWaalsContact N-O 3.09Å; K53-L81 PolarHBondContact O-N 3Å
54L92.4Very high89.1Confident112 Ų11275.1 Ų75.159%0.58636%0.356SS*.EExtended strand (participates in β ladder)trans-78.1128.1166.5-73.2173000109.5
55A89.7Confident88.4Confident5 Ų578.3 Ų78.34%0.04137%0.372CS..PPolyproline II helixtrans-63.1133.9178.500000111E59 R60 V79 L81A55-E59 WeakPolarHBondContact CA-OE2 3.39Å; A55-E59 HydrophobicContact CB-CB 4.3Å; A55-R60 HydrophobicContact CB-CG 3.71Å; A55-R60 PolarHBondContact O-NH1 3.2Å; A55-V79 HydrophobicContact CB-CB 4.11Å; A55-V79 HydrophobicContact CB-CG1 4.45Å; A55-V79 PolarHBondContact N-O 2.8Å; A55-L81 HydrophobicContact CB-CD1 3.82Å; A55-L81 HydrophobicContact CB-CG 3.97Å
56T90Very high87.6Confident56 Ų5673 Ų7334%0.34436%0.359SS..PPolyproline II helixtrans-69.5172.5173.2770000111.6E58 E59 R60T56-E58 VanDerWaalsContact C-N 3.28Å; T56-E58 WeakPolarHBondContact CB-OE2 3.42Å; T56-E58 PolarHBondContact O-N 3.25Å; T56-E58 PolarHBondContact OG1-N 3.14Å; T56-E58 PolarHBondContact OG1-OE2 3.02Å; T56-E58 VanDerWaalsContact OG1-OE2 3.05Å; T56-E59 PolarHBondContact N-OE2 3.25Å; T56-E59 PolarHBondContact O-N 2.87Å; T56-E59 WeakPolarHBondContact OG1-CG 3.34Å; T56-E59 PolarHBondContact OG1-N 3.22Å; T56-R60 WeakPolarHBondContact O-CG 3.13Å; T56-R60 PolarHBondContact O-N 3.48Å; T56-R60 PolarHBondContact O-NH1 2.97Å
57V85.8Confident86.5Confident93 Ų9367 Ų6756%0.56434%0.337SS*.Hα-helixtrans-62.2-40.9178.8-177.40000110.5K61V57-K61 PolarHBondContact O-N 3.4Å; V57-K61 VanDerWaalsContact O-N 3.1Å
58E86.3Confident84.7Confident126 Ų12675 Ų7559%0.58937%0.374SS*.Hα-helixtrans-68.7-43.5179.7-59.470.6-153.200111.3T56 K61 K62T56-E58 VanDerWaalsContact C-N 3.28Å; T56-E58 WeakPolarHBondContact CB-OE2 3.42Å; T56-E58 PolarHBondContact O-N 3.25Å; T56-E58 PolarHBondContact OG1-N 3.14Å; T56-E58 PolarHBondContact OG1-OE2 3.02Å; T56-E58 VanDerWaalsContact OG1-OE2 3.05Å; E58-K61 WeakPolarHBondContact O-CB 3.41Å; E58-K61 PolarHBondContact O-N 3.09Å; E58-K62 PolarHBondContact O-N 3.43Å
59E87.7Confident82.8Confident32 Ų3279.3 Ų79.315%0.1539%0.394CS..Hα-helixtrans-63.5-41.8176.5-68.4173.216100111.2L19 K53 A55 T56 K61 K62 I63L19-E59 HydrophobicContact CD1-CB 4.24Å; L19-E59 HydrophobicContact CD1-CG 3.94Å; L19-E59 HydrophobicContact CD2-CB 4.29Å; K53-E59 WeakPolarHBondContact CE-OE2 3.41Å; K53-E59 IonicContact NZ-OE1 3.46Å; K53-E59 PolarHBondContact NZ-OE1 3.36Å; K53-E59 IonicContact NZ-OE2 3.2Å; K53-E59 PolarHBondContact NZ-OE2 3.24Å; A55-E59 WeakPolarHBondContact CA-OE2 3.39Å; A55-E59 HydrophobicContact CB-CB 4.3Å; T56-E59 PolarHBondContact N-OE2 3.25Å; T56-E59 PolarHBondContact O-N 2.87Å; T56-E59 WeakPolarHBondContact OG1-CG 3.34Å; T56-E59 PolarHBondContact OG1-N 3.22Å; E59-K61 VanDerWaalsContact C-N 3.3Å; E59-K61 PolarHBondContact O-N 2.77Å; E59-K62 PolarHBondContact O-N 2.55Å; E59-I63 VanDerWaalsContact O-CG1 3.24Å; E59-I63 WeakPolarHBondContact O-CG1 3.39Å; E59-I63 PolarHBondContact O-N 2.84Å
60R84.8Confident81.2Confident65 Ų6580.2 Ų80.225%0.24539%0.389CS..Hα-helixtrans-61.9-39174.7-71.9-168.3-49.4-89.97.2112.2A55 T56 I63 V64 L75 V79A55-R60 HydrophobicContact CB-CG 3.71Å; A55-R60 PolarHBondContact O-NH1 3.2Å; T56-R60 WeakPolarHBondContact O-CG 3.13Å; T56-R60 PolarHBondContact O-N 3.48Å; T56-R60 PolarHBondContact O-NH1 2.97Å; R60-I63 PolarHBondContact O-N 3.44Å; R60-V64 WeakPolarHBondContact O-CG2 3.47Å; R60-V64 PolarHBondContact O-N 2.96Å; R60-L75 HydrophobicContact CB-CD1 4.24Å; R60-L75 HydrophobicContact CG-CD1 4.44Å; R60-V79 HydrophobicContact CG-CB 4.47Å; R60-V79 HydrophobicContact CG-CG2 4.3Å
61K83.8Confident79.4Confident135 Ų13582.6 Ų82.659%0.58742%0.416SS*.Hα-helixtrans-61.7-45.5175.8-173.1179.5170.8-174.80111V57 E58 E59 I63 V64 E65V57-K61 PolarHBondContact O-N 3.4Å; V57-K61 VanDerWaalsContact O-N 3.1Å; E58-K61 WeakPolarHBondContact O-CB 3.41Å; E58-K61 PolarHBondContact O-N 3.09Å; E59-K61 VanDerWaalsContact C-N 3.3Å; E59-K61 PolarHBondContact O-N 2.77Å; K61-I63 PolarHBondContact O-N 2.82Å; K61-V64 PolarHBondContact O-N 3.43Å; K61-E65 WeakPolarHBondContact CE-OE1 3.43Å; K61-E65 IonicContact NZ-OE1 2.82Å; K61-E65 WeakPolarHBondContact O-CG 3.39Å; K61-E65 PolarHBondContact O-N 3.46Å
62K84.1Confident78Confident89 Ų8980.9 Ų80.939%0.38741%0.41SS..Hα-helixtrans-61-41175.5-70.9-178.4175-175.70113L19 E58 E59 V64 E65 S66L19-K62 HydrophobicContact CD2-CB 4.32Å; L19-K62 WeakPolarHBondContact O-CD 3.3Å; L19-K62 PolarHBondContact O-NZ 2.93Å; E58-K62 PolarHBondContact O-N 3.43Å; E59-K62 PolarHBondContact O-N 2.55Å; K62-V64 VanDerWaalsContact C-N 3.34Å; K62-E65 PolarHBondContact O-N 3.42Å; K62-S66 WeakPolarHBondContact O-CB 2.93Å; K62-S66 PolarHBondContact O-N 3.5Å; K62-S66 PolarHBondContact O-OG 2.79Å; K62-S66 VanDerWaalsContact O-OG 3.04Å
63I83.3Confident75.9Confident2 Ų280.6 Ų80.61%0.0142%0.423CS..Hα-helixtrans-63.4-41.3177.4-64.7163.2000110.7F17 L19 I28 E59 R60 K61 S66 S67 Y72 L75 L81F17-I63 HydrophobicContact CD2-CG1 4.14Å; F17-I63 HydrophobicContact CE2-CD1 3.82Å; F17-I63 HydrophobicContact CE2-CG1 3.61Å; F17-I63 HydrophobicContact CZ-CD1 4.06Å; F17-I63 HydrophobicContact CZ-CG1 4.14Å; L19-I63 HydrophobicContact CD2-CD1 4.3Å; L19-I63 HydrophobicContact CD2-CG1 3.81Å; I28-I63 HydrophobicContact CD1-CG2 4.29Å; E59-I63 VanDerWaalsContact O-CG1 3.24Å; E59-I63 WeakPolarHBondContact O-CG1 3.39Å; E59-I63 PolarHBondContact O-N 2.84Å; R60-I63 PolarHBondContact O-N 3.44Å; K61-I63 PolarHBondContact O-N 2.82Å; I63-S66 PolarHBondContact O-OG 3.26Å; I63-S67 WeakPolarHBondContact O-CB 3.24Å; I63-S67 PolarHBondContact O-N 2.98Å; I63-S67 PolarHBondContact O-OG 3.01Å; I63-Y72 HydrophobicContact CG2-CD2 4.41Å; I63-L75 HydrophobicContact CB-CD1 3.85Å; I63-L75 HydrophobicContact CG2-CD1 3.68Å; I63-L75 HydrophobicContact CG2-CD2 4.38Å; I63-L81 HydrophobicContact CD1-CD2 3.88Å
64V82.2Confident74.3Confident52 Ų5285.3 Ų85.332%0.31545%0.446SS..Hα-helixtrans-65.7-44.2175.61720000110.7R60 K61 K62 S67 L75R60-V64 WeakPolarHBondContact O-CG2 3.47Å; R60-V64 PolarHBondContact O-N 2.96Å; K61-V64 PolarHBondContact O-N 3.43Å; K62-V64 VanDerWaalsContact C-N 3.34Å; V64-S67 WeakPolarHBondContact CA-OG 3.42Å; V64-S67 PolarHBondContact O-N 3.06Å; V64-S67 PolarHBondContact O-OG 3.38Å; V64-L75 HydrophobicContact CG2-CD1 3.7Å; V64-L75 HydrophobicContact CG2-CG 3.85Å
65E78.3Confident73.1Confident105 Ų10581.8 Ų81.849%0.49143%0.428SS..Hα-helixtrans-64.2-42.7-180-74.4171.8172.800112.8K61 K62 S67 H68K61-E65 WeakPolarHBondContact CE-OE1 3.43Å; K61-E65 IonicContact NZ-OE1 2.82Å; K61-E65 WeakPolarHBondContact O-CG 3.39Å; K61-E65 PolarHBondContact O-N 3.46Å; K62-E65 PolarHBondContact O-N 3.42Å; E65-S67 PolarHBondContact O-N 3.4Å; E65-H68 PolarHBondContact O-ND1 3.23Å
66S72.4Confident72.1Confident74 Ų7484.7 Ų84.752%0.51745%0.452SS..Hα-helixtrans-73.6-10.8177.665.90000113.5K62 I63 H68K62-S66 WeakPolarHBondContact O-CB 2.93Å; K62-S66 PolarHBondContact O-N 3.5Å; K62-S66 PolarHBondContact O-OG 2.79Å; K62-S66 VanDerWaalsContact O-OG 3.04Å; I63-S66 PolarHBondContact O-OG 3.26Å; S66-H68 PolarHBondContact O-N 3.29Å
67S64.3Low71.2Confident7 Ų788.7 Ų88.75%0.04948%0.476CS..THydrogen-bonded Turntrans-93.919.8-175.872.90000115.9I63 V64 E65 D69 H70 G71I63-S67 WeakPolarHBondContact O-CB 3.24Å; I63-S67 PolarHBondContact O-N 2.98Å; I63-S67 PolarHBondContact O-OG 3.01Å; V64-S67 WeakPolarHBondContact CA-OG 3.42Å; V64-S67 PolarHBondContact O-N 3.06Å; V64-S67 PolarHBondContact O-OG 3.38Å; E65-S67 PolarHBondContact O-N 3.4Å; S67-D69 PolarHBondContact O-N 3.38Å; S67-H70 PolarHBondContact O-N 3.5Å; S67-G71 PolarHBondContact O-N 3.46Å
68H55.1Low71Confident176 Ų17688.1 Ų88.182%0.81548%0.476SS*.THydrogen-bonded Turntrans-51.5-24.5177.8-90.772.2000113.7E65 S66E65-H68 PolarHBondContact O-ND1 3.23Å; S66-H68 PolarHBondContact O-N 3.29Å
69D52.9Low71.1Confident156 Ų15682.5 Ų82.583%0.83445%0.45SS*.THydrogen-bonded Turntrans-96.8-13.3173.9-94.2-13.7000115.7S67S67-D69 PolarHBondContact O-N 3.38Å
70H58.1Low71.4Confident95 Ų9582.6 Ų82.644%0.4445%0.453SS..THydrogen-bonded Turntrans-1150.6-168.5-6090.9000114.2V15 S67 Y72V15-H70 VanDerWaalsContact CG2-CD2 3.44Å; V15-H70 WeakPolarHBondContact CG2-CD2 3.48Å; S67-H70 PolarHBondContact O-N 3.5Å; H70-Y72 HydrophobicContact CB-CE2 4.05Å; H70-Y72 PolarHBondContact O-N 2.94Å
71G56.2Low71.8Confident58 Ų5879.5 Ų79.560%0.59844%0.442SS*.  trans78.616.9163.700000116.5S67 T73S67-G71 PolarHBondContact O-N 3.46Å; G71-T73 VanDerWaalsContact C-N 3.3Å; G71-T73 PolarHBondContact O-N 3.22Å
72Y63.1Low72.3Confident45 Ų4573.1 Ų73.118%0.17641%0.414CS..  trans-76.780.5172.9-49.8-59.2000110.7I28 E31 I63 H70 Q74 L75I28-Y72 HydrophobicContact CD1-CE1 4.19Å; I28-Y72 HydrophobicContact CD1-CE2 4.1Å; E31-Y72 WeakPolarHBondContact OE1-CE1 3.31Å; E31-Y72 PolarHBondContact OE1-OH 3.19Å; E31-Y72 PolarHBondContact OE2-OH 2.92Å; E31-Y72 VanDerWaalsContact OE2-OH 3.07Å; I63-Y72 HydrophobicContact CG2-CD2 4.41Å; H70-Y72 HydrophobicContact CB-CE2 4.05Å; H70-Y72 PolarHBondContact O-N 2.94Å; Y72-Q74 VanDerWaalsContact C-N 3.33Å; Y72-L75 HydrophobicContact CD1-CD2 4.09Å; Y72-L75 HydrophobicContact CD2-CD2 4.48Å; Y72-L75 HydrophobicContact CG-CD2 3.93Å
73T50.1Low72.8Confident128 Ų12871.7 Ų71.779%0.78541%0.408SS*.SBendtrans-75.3-24.9174.856.40000112.4G71G71-T73 VanDerWaalsContact C-N 3.3Å; G71-T73 PolarHBondContact O-N 3.22Å
74Q59.8Low73.3Confident180 Ų18071.7 Ų71.784%0.84141%0.408SS*.SBendtrans-149119.3170.6-66.7-172.2-10.100110.4Y72Y72-Q74 VanDerWaalsContact C-N 3.33Å
75L67.1Low73.9Confident39 Ų3971.7 Ų71.720%0.20441%0.41CS..  trans-80.7152.5170.9-70.4171.7000110.9I28 R60 I63 V64 Y72 V79I28-L75 HydrophobicContact CD1-CD2 4.15Å; R60-L75 HydrophobicContact CB-CD1 4.24Å; R60-L75 HydrophobicContact CG-CD1 4.44Å; I63-L75 HydrophobicContact CB-CD1 3.85Å; I63-L75 HydrophobicContact CG2-CD1 3.68Å; I63-L75 HydrophobicContact CG2-CD2 4.38Å; V64-L75 HydrophobicContact CG2-CD1 3.7Å; V64-L75 HydrophobicContact CG2-CG 3.85Å; Y72-L75 HydrophobicContact CD1-CD2 4.09Å; Y72-L75 HydrophobicContact CD2-CD2 4.48Å; Y72-L75 HydrophobicContact CG-CD2 3.93Å; L75-V79 HydrophobicContact CB-CG2 3.81Å; L75-V79 HydrophobicContact CD1-CG2 4.3Å; L75-V79 HydrophobicContact CD2-CG2 4.42Å; L75-V79 HydrophobicContact CG-CG2 4.41Å
76A69.3Low74.6Confident66 Ų6668 Ų6855%0.54539%0.393SS..  trans-56.5152.5173.100000111.6S78 V79A76-S78 PolarHBondContact O-N 3.46Å; A76-S78 VanDerWaalsContact O-N 3.14Å; A76-V79 WeakPolarHBondContact O-CG2 3.41Å
77T70.6Confident75.5Confident139 Ų13964.6 Ų64.685%0.85337%0.369SS*.SBendtrans-58.9-27.6179.746.10000113
78S81.6Confident76.8Confident81 Ų8166.9 Ų66.957%0.56638%0.379SS*.SBendtrans-123.7101.9172.351.20000111.2A76A76-S78 PolarHBondContact O-N 3.46Å; A76-S78 VanDerWaalsContact O-N 3.14Å
79V88.8Confident78.4Confident8 Ų861.2 Ų61.25%0.04835%0.353CS..PPolyproline II helixtrans-98.3120.5173.7-177.90000109.2I28 A55 R60 L75 A76 L81I28-V79 HydrophobicContact CG1-CG1 4.4Å; I28-V79 HydrophobicContact CG2-CG1 4.15Å; A55-V79 HydrophobicContact CB-CB 4.11Å; A55-V79 HydrophobicContact CB-CG1 4.45Å; A55-V79 PolarHBondContact N-O 2.8Å; R60-V79 HydrophobicContact CG-CB 4.47Å; R60-V79 HydrophobicContact CG-CG2 4.3Å; L75-V79 HydrophobicContact CB-CG2 3.81Å; L75-V79 HydrophobicContact CD1-CG2 4.3Å; L75-V79 HydrophobicContact CD2-CG2 4.42Å; L75-V79 HydrophobicContact CG-CG2 4.41Å; A76-V79 WeakPolarHBondContact O-CG2 3.41Å; V79-L81 HydrophobicContact CG1-CD2 4.26Å
80T93.1Very high80.1Confident34 Ų3454.4 Ų54.421%0.20932%0.316CS..EExtended strand (participates in β ladder)trans-90.2129.9171-53.80000109.6G29 Y44 R52 K53G29-T80 PolarHBondContact N-O 3.06Å; Y44-T80 HydrophobicContact CE1-CG2 4.31Å; Y44-T80 WeakPolarHBondContact OH-CG2 3.07Å; R52-T80 HydrophobicContact CB-CG2 3.78Å; R52-T80 HydrophobicContact CG-CG2 4.49Å; K53-T80 CarbonylContact O-C 3.59Å; K53-T80 WeakPolarHBondContact O-CA 3.48Å
81L93.4Very high81.5Confident1 Ų152.3 Ų52.31%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-100.6139.5174.1-60.8177.7000110.3F17 L19 Y26 R52 K53 A55 I63 V79F17-L81 HydrophobicContact CE2-CD2 4.12Å; F17-L81 HydrophobicContact CZ-CD2 3.75Å; L19-L81 HydrophobicContact CD1-CD1 3.96Å; Y26-L81 HydrophobicContact CD1-CB 4.47Å; R52-L81 VanDerWaalsContact CA-O 3.3Å; R52-L81 WeakPolarHBondContact CA-O 3.25Å; K53-L81 PolarHBondContact N-O 3.23Å; K53-L81 VanDerWaalsContact N-O 3.09Å; K53-L81 PolarHBondContact O-N 3Å; A55-L81 HydrophobicContact CB-CD1 3.82Å; A55-L81 HydrophobicContact CB-CG 3.97Å; I63-L81 HydrophobicContact CD1-CD2 3.88Å; V79-L81 HydrophobicContact CG1-CD2 4.26Å
82L94.9Very high83Confident1 Ų156.4 Ų56.41%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-117.5147.8172.5-66.7175.5000109Y26 M27 V32 L43 Y44 L50 W51 R52 A84 V87Y26-L82 CarbonylContact C-O 3.56Å; Y26-L82 WeakPolarHBondContact CA-O 3.37Å; M27-L82 PolarHBondContact N-O 3.04Å; M27-L82 PolarHBondContact O-N 2.94Å; V32-L82 HydrophobicContact CB-CD1 3.93Å; V32-L82 HydrophobicContact CG1-CD1 3.93Å; V32-L82 HydrophobicContact CG2-CD1 4.14Å; L43-L82 HydrophobicContact CD2-CD1 3.89Å; Y44-L82 HydrophobicContact CE1-CD2 4.11Å; L50-L82 HydrophobicContact CD2-CD1 4.1Å; L50-L82 HydrophobicContact CD2-CD2 3.64Å; L50-L82 HydrophobicContact CG-CD2 3.91Å; W51-L82 WeakPolarHBondContact O-CD2 3.42Å; R52-L82 HydrophobicContact CB-CD2 3.85Å; L82-A84 PolarHBondContact O-N 2.92Å; L82-V87 HydrophobicContact CB-CG2 3.75Å; L82-V87 HydrophobicContact CD1-CG2 3.86Å; L82-V87 HydrophobicContact CG-CG2 4.42Å
83K95.1Very high84Confident58 Ų5856.7 Ų56.725%0.25233%0.328SS..EExtended strand (participates in β ladder)trans-67.7131.4169.4-76.9176.8-174.7-1770109.2Y26 W51 S85 E86 V87Y26-K83 HydrophobicContact CE1-CG 4.19Å; W51-K83 HydrophobicContact CB-CD 4.47Å; W51-K83 HydrophobicContact CD2-CD 4.2Å; W51-K83 HydrophobicContact CD2-CG 4.05Å; W51-K83 HydrophobicContact CE3-CB 4.28Å; W51-K83 HydrophobicContact CE3-CD 4.21Å; W51-K83 HydrophobicContact CE3-CG 3.55Å; W51-K83 HydrophobicContact CG-CD 4.34Å; W51-K83 HydrophobicContact CZ3-CG 3.87Å; K83-S85 VanDerWaalsContact C-N 3.27Å; K83-S85 PolarHBondContact O-N 2.9Å; K83-E86 HydrophobicContact CB-CB 4.42Å; K83-E86 HydrophobicContact CB-CG 4.04Å; K83-E86 HydrophobicContact CD-CG 4.38Å; K83-E86 PolarHBondContact O-N 3.17Å; K83-V87 WeakPolarHBondContact O-CG2 3.46Å; K83-V87 PolarHBondContact O-N 3.21Å
84A93.6Very high85.7Confident2 Ų255.1 Ų55.12%0.01732%0.315CS..Hα-helixtrans-61.5-38.7179.100000111.5F25 M27 L82 E86 V87 E88F25-A84 HydrophobicContact CB-CB 3.56Å; F25-A84 WeakPolarHBondContact O-CB 3.43Å; F25-A84 PolarHBondContact O-N 2.76Å; M27-A84 HydrophobicContact CE-CB 4.08Å; M27-A84 HydrophobicContact CG-CB 4.19Å; L82-A84 PolarHBondContact O-N 2.92Å; A84-E86 PolarHBondContact O-N 2.93Å; A84-V87 PolarHBondContact O-N 3.12Å; A84-E88 WeakPolarHBondContact O-CB 3.48Å; A84-E88 WeakPolarHBondContact O-CG 2.88Å; A84-E88 PolarHBondContact O-N 3.39Å
85S93.6Very high86.9Confident52 Ų5247.4 Ų47.436%0.36428%0.279SS..Hα-helixtrans-56.1-51.3177.2480000112.4K83 V87 E88 E89K83-S85 VanDerWaalsContact C-N 3.27Å; K83-S85 PolarHBondContact O-N 2.9Å; S85-V87 VanDerWaalsContact C-N 3.3Å; S85-V87 PolarHBondContact O-N 3.04Å; S85-E88 PolarHBondContact O-N 3.17Å; S85-E89 WeakPolarHBondContact O-CG 3.4Å; S85-E89 PolarHBondContact O-N 2.93Å
86E93.6Very high87.8Confident28 Ų2851.8 Ų51.813%0.13130%0.299CS..Hα-helixtrans-65-34.3-180-57.3-175.6-177.700112.5L50 W51 K83 A84 I90 Y98L50-E86 HydrophobicContact CD1-CB 3.75Å; L50-E86 WeakPolarHBondContact CD1-OE2 3.49Å; W51-E86 WeakPolarHBondContact CB-OE1 3.47Å; W51-E86 VanDerWaalsContact CB-OE2 3.24Å; W51-E86 WeakPolarHBondContact CB-OE2 3.43Å; W51-E86 PolarHBondContact N-OE2 3.15Å; K83-E86 HydrophobicContact CB-CB 4.42Å; K83-E86 HydrophobicContact CB-CG 4.04Å; K83-E86 HydrophobicContact CD-CG 4.38Å; K83-E86 PolarHBondContact O-N 3.17Å; A84-E86 PolarHBondContact O-N 2.93Å; E86-I90 WeakPolarHBondContact O-CG1 3.24Å; E86-I90 PolarHBondContact O-N 3.04Å; E86-Y98 WeakPolarHBondContact CA-OH 3.45Å; E86-Y98 HydrophobicContact CB-CE1 3.93Å; E86-Y98 WeakPolarHBondContact CB-OH 3.34Å; E86-Y98 HydrophobicContact CG-CE1 3.91Å; E86-Y98 WeakPolarHBondContact CG-OH 3.49Å
87V91.3Very high88.7Confident3 Ų354.6 Ų54.62%0.01830%0.299CS..Hα-helixtrans-71.3-39.3176.5175.40000111.5M27 V32 L82 K83 A84 S85 I90 L91M27-V87 HydrophobicContact SD-CB 4.01Å; M27-V87 HydrophobicContact SD-CG1 3.65Å; V32-V87 HydrophobicContact CB-CG1 4.45Å; V32-V87 HydrophobicContact CG1-CG1 3.62Å; V32-V87 HydrophobicContact CG1-CG2 4.06Å; V32-V87 HydrophobicContact CG2-CG1 3.92Å; V32-V87 HydrophobicContact CG2-CG2 4.22Å; L82-V87 HydrophobicContact CB-CG2 3.75Å; L82-V87 HydrophobicContact CD1-CG2 3.86Å; L82-V87 HydrophobicContact CG-CG2 4.42Å; K83-V87 WeakPolarHBondContact O-CG2 3.46Å; K83-V87 PolarHBondContact O-N 3.21Å; A84-V87 PolarHBondContact O-N 3.12Å; S85-V87 VanDerWaalsContact C-N 3.3Å; S85-V87 PolarHBondContact O-N 3.04Å; V87-I90 PolarHBondContact O-N 2.74Å; V87-L91 HydrophobicContact CG1-CD1 4.28Å; V87-L91 WeakPolarHBondContact O-CG 3.28Å; V87-L91 PolarHBondContact O-N 3.27Å
88E91.1Very high89.5Confident55 Ų5548.6 Ų48.626%0.25726%0.261SS..Hα-helixtrans-65.9-41177.2-73.3-170.4147.500111.5K13 M27 A84 S85 I90 L91 E92K13-E88 IonicContact NZ-OE1 3.92Å; K13-E88 PolarHBondContact NZ-OE1 3.22Å; K13-E88 VanDerWaalsContact NZ-OE1 3.09Å; M27-E88 HydrophobicContact CE-CG 4.23Å; A84-E88 WeakPolarHBondContact O-CB 3.48Å; A84-E88 WeakPolarHBondContact O-CG 2.88Å; A84-E88 PolarHBondContact O-N 3.39Å; S85-E88 PolarHBondContact O-N 3.17Å; E88-I90 VanDerWaalsContact C-N 3.29Å; E88-I90 PolarHBondContact O-N 2.56Å; E88-L91 WeakPolarHBondContact O-CB 3.18Å; E88-L91 PolarHBondContact O-N 3.07Å; E88-E92 WeakPolarHBondContact O-CG 3.45Å; E88-E92 PolarHBondContact O-N 2.82Å
89E90Very high89.8Confident56 Ų5647.1 Ų47.126%0.26224%0.244SC..Hα-helixtrans-58.6-39.7172.3-70.9-168.6-132.300112.6S85 L91 E92 G93 N94 K97 Y98S85-E89 WeakPolarHBondContact O-CG 3.4Å; S85-E89 PolarHBondContact O-N 2.93Å; E89-L91 VanDerWaalsContact C-N 3.34Å; E89-E92 PolarHBondContact O-N 3.49Å; E89-G93 PolarHBondContact O-N 3.21Å; E89-N94 HydrophobicContact CB-CB 4.46Å; E89-N94 PolarHBondContact O-N 3.14Å; E89-K97 IonicContact OE1-NZ 3.33Å; E89-K97 PolarHBondContact OE1-NZ 3.3Å; E89-K97 WeakPolarHBondContact OE2-CE 3.17Å; E89-K97 IonicContact OE2-NZ 2.62Å; E89-K97 PolarHBondContact OE2-NZ 3.33Å; E89-Y98 HydrophobicContact CB-CE2 4.23Å; E89-Y98 PolarHBondContact OE1-OH 3.26Å
90I88.9Confident88.8Confident13 Ų1350 Ų507%0.06727%0.269CS..Hα-helixtrans-64.1-40.3174.7-70.6169.3000111.3L36 Y47 L50 E86 V87 E88 E92 G93 D95 Y98L36-I90 HydrophobicContact CD1-CG2 4.15Å; Y47-I90 HydrophobicContact CD1-CD1 4.42Å; Y47-I90 HydrophobicContact CD2-CD1 3.99Å; Y47-I90 HydrophobicContact CE2-CD1 4.23Å; Y47-I90 HydrophobicContact CE2-CG2 3.99Å; Y47-I90 HydrophobicContact CG-CD1 4.09Å; L50-I90 HydrophobicContact CD1-CD1 3.66Å; L50-I90 HydrophobicContact CD2-CD1 4.26Å; E86-I90 WeakPolarHBondContact O-CG1 3.24Å; E86-I90 PolarHBondContact O-N 3.04Å; V87-I90 PolarHBondContact O-N 2.74Å; E88-I90 VanDerWaalsContact C-N 3.29Å; E88-I90 PolarHBondContact O-N 2.56Å; I90-E92 VanDerWaalsContact C-N 3.31Å; I90-E92 PolarHBondContact O-N 3.19Å; I90-G93 PolarHBondContact O-N 3.4Å; I90-D95 HydrophobicContact CB-CB 4.27Å; I90-D95 HydrophobicContact CG1-CB 3.92Å; I90-D95 HydrophobicContact CG2-CB 4.21Å; I90-Y98 HydrophobicContact CD1-CD2 4.17Å; I90-Y98 HydrophobicContact CD1-CG 4.48Å; I90-Y98 HydrophobicContact CG1-CD2 3.83Å; I90-Y98 HydrophobicContact CG1-CE2 4.17Å
91L87Confident86.9Confident52 Ų5254.5 Ų54.527%0.27230%0.296SS..Hα-helixtrans-68.6-30.7179.3-71.5173.5000113T9 Y35 L36 V87 E88 E89 G93T9-L91 HydrophobicContact CG2-CD2 4.41Å; Y35-L91 HydrophobicContact CD1-CD2 3.99Å; Y35-L91 HydrophobicContact CE1-CD1 4.2Å; Y35-L91 HydrophobicContact CE1-CD2 3.57Å; L36-L91 HydrophobicContact CD2-CD2 3.54Å; L36-L91 HydrophobicContact CG-CD2 4.43Å; V87-L91 HydrophobicContact CG1-CD1 4.28Å; V87-L91 WeakPolarHBondContact O-CG 3.28Å; V87-L91 PolarHBondContact O-N 3.27Å; E88-L91 WeakPolarHBondContact O-CB 3.18Å; E88-L91 PolarHBondContact O-N 3.07Å; E89-L91 VanDerWaalsContact C-N 3.34Å; L91-G93 VanDerWaalsContact C-N 3.26Å
92E86.9Confident84.5Confident144 Ų14459.5 Ų59.567%0.67333%0.331SS*.THydrogen-bonded Turntrans-78.8-7.9175.4-69.8173.5-18000113.1E88 E89 I90E88-E92 WeakPolarHBondContact O-CG 3.45Å; E88-E92 PolarHBondContact O-N 2.82Å; E89-E92 PolarHBondContact O-N 3.49Å; I90-E92 VanDerWaalsContact C-N 3.31Å; I90-E92 PolarHBondContact O-N 3.19Å
93G83.8Confident81.7Confident50 Ų5066 Ų6652%0.51536%0.364SS..THydrogen-bonded Turntrans91.77.7179.200000114.6E89 I90 L91 D95E89-G93 PolarHBondContact O-N 3.21Å; I90-G93 PolarHBondContact O-N 3.4Å; L91-G93 VanDerWaalsContact C-N 3.26Å; G93-D95 PolarHBondContact O-N 3.39Å
94N86.6Confident78.6Confident96 Ų9668 Ų6851%0.51339%0.385SS..  trans-89.344.7177.2-63.3-43.1000111.4E89E89-N94 HydrophobicContact CB-CB 4.46Å; E89-N94 PolarHBondContact O-N 3.14Å
95D85.9Confident75.7Confident17 Ų1774.1 Ų74.19%0.09142%0.423CS..  trans-93.2-7.6-166.773.8-28.8000114.9Y47 I90 G93 K97 Y98 K99Y47-D95 HydrophobicContact CE1-CB 3.67Å; Y47-D95 WeakPolarHBondContact CE1-OD2 3.33Å; Y47-D95 VanDerWaalsContact CZ-OD2 3.26Å; Y47-D95 PolarHBondContact OH-OD2 3.47Å; I90-D95 HydrophobicContact CB-CB 4.27Å; I90-D95 HydrophobicContact CG1-CB 3.92Å; I90-D95 HydrophobicContact CG2-CB 4.21Å; G93-D95 PolarHBondContact O-N 3.39Å; D95-K97 VanDerWaalsContact C-N 3.33Å; D95-K97 PolarHBondContact O-N 3.04Å; D95-Y98 PolarHBondContact O-N 3.35Å; D95-K99 PolarHBondContact O-N 3.39Å; D95-K99 WeakPolarHBondContact OD1-CE 3.35Å; D95-K99 IonicContact OD1-NZ 2.92Å; D95-K99 PolarHBondContact OD1-NZ 3.14Å; D95-K99 WeakPolarHBondContact OD2-CE 3.21Å; D95-K99 IonicContact OD2-NZ 2.78Å; D95-K99 PolarHBondContact OD2-NZ 3.11Å
96E85.7Confident72.8Confident132 Ų13279.6 Ų79.662%0.61744%0.443SS*.G310 helixtrans-55.4-42.1-175.7-74.5-57131.200113.4Y98 K99E96-Y98 PolarHBondContact O-N 3.3Å; E96-Y98 VanDerWaalsContact O-N 3.11Å; E96-K99 PolarHBondContact O-N 2.69Å; E96-K99 VanDerWaalsContact O-N 3.14Å; E96-K99 IonicContact OE1-NZ 3.09Å; E96-K99 PolarHBondContact OE1-NZ 3.07Å
97K88.3Confident69.9Low125 Ų12583.2 Ų83.254%0.54347%0.469SS..G310 helixtrans-65.3-17.3-179.670.2-177.5-173.3-178.30113.9E89 D95E89-K97 IonicContact OE1-NZ 3.33Å; E89-K97 PolarHBondContact OE1-NZ 3.3Å; E89-K97 WeakPolarHBondContact OE2-CE 3.17Å; E89-K97 IonicContact OE2-NZ 2.62Å; E89-K97 PolarHBondContact OE2-NZ 3.33Å; D95-K97 VanDerWaalsContact C-N 3.33Å; D95-K97 PolarHBondContact O-N 3.04Å
98Y87.4Confident67.1Low13 Ų1388.5 Ų88.55%0.05150%0.503CS..G310 helixtrans-96-15179.3-55.1-73.3000113.3Y47 P48 S49 L50 E86 E89 I90 D95 E96Y47-Y98 CarbonylContact C-O 3.58Å; Y47-Y98 VanDerWaalsContact CA-O 3.24Å; Y47-Y98 WeakPolarHBondContact CA-O 3.24Å; P48-Y98 WeakPolarHBondContact CD-O 3.3Å; S49-Y98 PolarHBondContact N-O 2.99Å; L50-Y98 HydrophobicContact CD1-CD1 4.13Å; L50-Y98 HydrophobicContact CD1-CE1 4.34Å; L50-Y98 HydrophobicContact CD1-CG 4.46Å; E86-Y98 WeakPolarHBondContact CA-OH 3.45Å; E86-Y98 HydrophobicContact CB-CE1 3.93Å; E86-Y98 WeakPolarHBondContact CB-OH 3.34Å; E86-Y98 HydrophobicContact CG-CE1 3.91Å; E86-Y98 WeakPolarHBondContact CG-OH 3.49Å; E89-Y98 HydrophobicContact CB-CE2 4.23Å; E89-Y98 PolarHBondContact OE1-OH 3.26Å; I90-Y98 HydrophobicContact CD1-CD2 4.17Å; I90-Y98 HydrophobicContact CD1-CG 4.48Å; I90-Y98 HydrophobicContact CG1-CD2 3.83Å; I90-Y98 HydrophobicContact CG1-CE2 4.17Å; D95-Y98 PolarHBondContact O-N 3.35Å; E96-Y98 PolarHBondContact O-N 3.3Å; E96-Y98 VanDerWaalsContact O-N 3.11Å
99K86.8Confident64.3Low50 Ų5091.7 Ų91.722%0.21753%0.526CS..SBendtrans-75.7152.3175.6-65.5174.8-169.81550109.9Y47 D95 E96 V101Y47-K99 HydrophobicContact CD1-CG 3.97Å; Y47-K99 HydrophobicContact CE1-CG 3.85Å; D95-K99 PolarHBondContact O-N 3.39Å; D95-K99 WeakPolarHBondContact OD1-CE 3.35Å; D95-K99 IonicContact OD1-NZ 2.92Å; D95-K99 PolarHBondContact OD1-NZ 3.14Å; D95-K99 WeakPolarHBondContact OD2-CE 3.21Å; D95-K99 IonicContact OD2-NZ 2.78Å; D95-K99 PolarHBondContact OD2-NZ 3.11Å; E96-K99 PolarHBondContact O-N 2.69Å; E96-K99 VanDerWaalsContact O-N 3.14Å; E96-K99 IonicContact OE1-NZ 3.09Å; E96-K99 PolarHBondContact OE1-NZ 3.07Å; K99-V101 PolarHBondContact O-N 3.43Å
100A68.3Low61.6Low69 Ų6999.1 Ų99.157%0.5755%0.553SS**  trans-64.8125.7170.600000109.4P48 S102P48-A100 HydrophobicContact CG-CB 3.87Å; A100-S102 PolarHBondContact O-N 3.15Å; A100-S102 VanDerWaalsContact O-N 3.09Å
101V52Low59Low127 Ų127106.8 Ų106.877%0.7759%0.594SS**  trans-63.2110.4161.3-175.50000106.3K99 I103K99-V101 PolarHBondContact O-N 3.43Å; V101-I103 HydrophobicContact CG1-CG1 4.37Å; V101-I103 PolarHBondContact O-N 2.97Å
102S43.5Very low56.3Low106 Ų106114.9 Ų114.974%0.74162%0.621SS**  trans-62.992.9161.438.50000107.4A100 S104A100-S102 PolarHBondContact O-N 3.15Å; A100-S102 VanDerWaalsContact O-N 3.09Å; S102-S104 PolarHBondContact O-N 3.38Å
103I36Very low53.7Low139 Ų139117.3 Ų117.371%0.71363%0.632SS**  trans-66.495.8159.6-63.4169.3000104.5V101 T105V101-I103 HydrophobicContact CG1-CG1 4.37Å; V101-I103 PolarHBondContact O-N 2.97Å; I103-T105 PolarHBondContact O-N 2.63Å
104S31.2Very low51.2Low98 Ų98123.4 Ų123.469%0.68565%0.647SS**  trans-57106.9161.9-640000106.7S102 E106S102-S104 PolarHBondContact O-N 3.38Å; S104-E106 PolarHBondContact O-N 3.37Å
105T31.1Very low48.5Very low131 Ų131128.6 Ų128.680%0.80467%0.665SS**  trans-72.773.516546.60000108.1I103I103-T105 PolarHBondContact O-N 2.63Å
106E33Very low46.2Very low168 Ų168132.8 Ų132.879%0.78570%0.702SS**  trans-94.5132.6151.2-73.9-169.5163.500107.4S104S104-E106 PolarHBondContact O-N 3.37Å
107P32.6Very low43.6Very low104 Ų104136.4 Ų136.468%0.67572%0.716SS**  trans-61.8145.3179.226.4-32.7000109.8T109P107-T109 PolarHBondContact O-N 3.12Å
108P32.3Very low40.9Very low113 Ų113142.1 Ų142.173%0.73473%0.734SS**  trans-63111.4-178.924.2-31.1000109.4Y110P108-Y110 PolarHBondContact O-N 3.02Å; P108-Y110 VanDerWaalsContact O-N 3.13Å
109T33Very low38.4Very low122 Ų122148.3 Ų148.375%0.74877%0.768SS**  trans-67.1110.8164.338.20000107.4P107 L111P107-T109 PolarHBondContact O-N 3.12Å; T109-L111 PolarHBondContact O-N 3.32Å
110Y32.8Very low35.8Very low212 Ų212150.7 Ų150.783%0.83179%0.791SS**  trans-42.1108172.4-9.9-87.4000110.2P108 R112P108-Y110 PolarHBondContact O-N 3.02Å; P108-Y110 VanDerWaalsContact O-N 3.13Å; Y110-R112 VanDerWaalsContact C-N 3.31Å; Y110-R112 PolarHBondContact O-N 2.66Å
111L34Very low34.2Very low175 Ų175154.9 Ų154.992%0.91680%0.799SS**  trans-64.996.2163.1-82.5162.4000107.4T109 E113T109-L111 PolarHBondContact O-N 3.32Å; L111-E113 PolarHBondContact O-N 2.92Å
112R30.8Very low33.3Very low222 Ų222159.6 Ų159.684%0.83880%0.803SS**  trans-75.8107.5169.4-167.1176.2-172.5176.32.6107.4Y110 Q114Y110-R112 VanDerWaalsContact C-N 3.31Å; Y110-R112 PolarHBondContact O-N 2.66Å; R112-Q114 PolarHBondContact O-N 3.09Å
113E33.7Very low32.9Very low194 Ų194159.2 Ų159.291%0.90780%0.796SS**  trans-51110166.7-77.6-177.5149.200109.6L111L111-E113 PolarHBondContact O-N 2.92Å
114Q31Very low32.7Very low179 Ų179157 Ų15784%0.83679%0.791SS**  trans-92116.2165-76.7-166.9-800108.6R112 A116R112-Q114 PolarHBondContact O-N 3.09Å; Q114-A116 PolarHBondContact O-N 2.86Å
115K28.9Very low32.8Very low204 Ų204159.1 Ų159.189%0.88780%0.799SS**  trans-41.3131.5171.7-91.7176.5168.5172.40112.1K117K115-K117 PolarHBondContact O-N 2.74Å
116A37.8Very low33.2Very low106 Ų106158.3 Ų158.388%0.87679%0.79SS**  trans-47.6119.416900000111.7Q114Q114-A116 PolarHBondContact O-N 2.86Å
117K30.8Very low33.5Very low207 Ų207154.5 Ų154.590%0.978%0.78SS**  trans-106.8134.3162.1-112.4-179.6178.6178.90108.6K115K115-K117 PolarHBondContact O-N 2.74Å
118R31Very low34.2Very low245 Ų245154.2 Ų154.293%0.92577%0.772SS**  trans-55.8141-167.9-71.5165.278.1177.54.5113S120R118-S120 PolarHBondContact O-N 3.46Å
119N36.2Very low35Very low143 Ų143149.3 Ų149.377%0.76574%0.741SS**  trans-45.9121.3165.8-164.321.3000112.7
120S31.6Very low36.2Very low101 Ų101144.7 Ų144.771%0.70671%0.714SS**  trans-154.9119.8150.967.90000109.9R118R118-S120 PolarHBondContact O-N 3.46Å
121Q34Very low37.7Very low157 Ų157136.5 Ų136.573%0.73468%0.683SS**  trans66.784.1165.7-123.7121.7-700116.7V123Q121-V123 PolarHBondContact O-N 3.33Å
122W34.1Very low39.2Very low225 Ų225128.7 Ų128.785%0.85264%0.642SS**  trans-78.992.5157.4-88.184000109.3
123V35.4Very low40.6Very low99 Ų99121.7 Ų121.760%0.662%0.62SS**  trans-120.6113.9149.4-167.90000104.8Q121 T125Q121-V123 PolarHBondContact O-N 3.33Å; V123-T125 PolarHBondContact O-N 3.13Å
124P31.5Very low42.3Very low93 Ų93113.5 Ų113.560%0.60458%0.583SS**  trans-58.1125.2173.8-17.629.6000107.9L126P124-L126 VanDerWaalsContact C-N 3.34Å; P124-L126 PolarHBondContact O-N 3.44Å
125T32.9Very low44Very low141 Ų141105.2 Ų105.287%0.86555%0.545SS*.  trans-60.9100.1171.145.60000108V123V123-T125 PolarHBondContact O-N 3.13Å
126L39.9Very low46.2Very low114 Ų11495.5 Ų95.560%0.59750%0.503SS*.  trans-58.3130.4-179.8-78.3151.8000109.4P124 N128P124-L126 VanDerWaalsContact C-N 3.34Å; P124-L126 PolarHBondContact O-N 3.44Å; L126-N128 PolarHBondContact O-N 3.19Å
127P39.7Very low47.7Very low89 Ų8991.3 Ų91.358%0.57847%0.466SS*.  trans-55.3137.7165-18.529.9000109S129P127-S129 PolarHBondContact O-N 2.92Å; P127-S129 PolarHBondContact O-OG 3.2Å; P127-S129 VanDerWaalsContact O-OG 3.13Å
128N46.1Very low49.9Very low97 Ų9783.4 Ų83.452%0.51944%0.437SS..SBendtrans-72.355.8-171.2-168.527.5000114L126 S130 H131 R369L126-N128 PolarHBondContact O-N 3.19Å; N128-S130 PolarHBondContact O-N 2.77Å; N128-S130 PolarHBondContact OD1-OG 2.7Å; N128-H131 PolarHBondContact O-ND1 3.17Å; N128-R369 PolarHBondContact ND2-NE 2.79Å; N128-R369 PolarHBondContact OD1-NE 2.72Å
129S50.3Low52.3Low11 Ų1173.1 Ų73.18%0.07740%0.402CS..G310 helixtrans-75.13172.456.40000113.3P127 H131 H132 R317P127-S129 PolarHBondContact O-N 2.92Å; P127-S129 PolarHBondContact O-OG 3.2Å; P127-S129 VanDerWaalsContact O-OG 3.13Å; S129-H131 PolarHBondContact O-N 3.3Å; S129-H131 VanDerWaalsContact O-N 3.11Å; S129-H132 PolarHBondContact O-CD2 2.87Å; S129-R317 PolarHBondContact OG-NH1 3.4Å; S129-R317 PolarHBondContact OG-NH2 3.33Å
130S57.6Low54.5Low25 Ų2568.2 Ų68.218%0.17538%0.378CS..G310 helixtrans-62.6-11.3172.570.40000113.4N128 H132 L133 R369N128-S130 PolarHBondContact O-N 2.77Å; N128-S130 PolarHBondContact OD1-OG 2.7Å; S130-H132 PolarHBondContact O-N 2.73Å; S130-L133 VanDerWaalsContact O-CB 3.27Å; S130-L133 WeakPolarHBondContact O-CB 3.42Å; S130-L133 WeakPolarHBondContact O-CG 3.22Å; S130-L133 PolarHBondContact O-N 2.92Å; S130-R369 PolarHBondContact OG-NE 2.94Å; S130-R369 PolarHBondContact OG-NH2 2.97Å
131H64.6Low56.7Low40 Ų4069.1 Ų69.119%0.18538%0.379CS..G310 helixtrans-65.6-18.6-179.268.9-94.4000114.2N128 S129 L133 D134 R181N128-H131 PolarHBondContact O-ND1 3.17Å; S129-H131 PolarHBondContact O-N 3.3Å; S129-H131 VanDerWaalsContact O-N 3.11Å; H131-L133 PolarHBondContact O-N 2.93Å; H131-D134 WeakPolarHBondContact O-CB 3.44Å; H131-D134 PolarHBondContact O-N 3.49Å; H131-R181 PolarHBondContact O-NH1 3.4Å
132H65.3Low58.7Low11 Ų1166.8 Ų66.85%0.05137%0.371CS..G310 helixtrans-71.6-17.5170.3-68.4-69.5000113.7S129 S130 D134 P179 Y306 G310S129-H132 PolarHBondContact O-CD2 2.87Å; S130-H132 PolarHBondContact O-N 2.73Å; H132-D134 VanDerWaalsContact C-N 3.3Å; H132-P179 PolarHBondContact CE1-O 3.17Å; H132-Y306 AromaticContact CE1-CE2 3.75Å; H132-Y306 AromaticContact CE1-CZ 3.93Å; H132-Y306 PolarHBondContact CE1-OH 3.4Å; H132-Y306 AromaticContact ND1-CE2 3.55Å; H132-Y306 AromaticContact ND1-CZ 3.36Å; H132-Y306 PolarHBondContact ND1-OH 3.34Å; H132-G310 VanDerWaalsContact CB-C 3.45Å; H132-G310 VanDerWaalsContact CB-CA 3.44Å; H132-G310 WeakPolarHBondContact CB-O 3.24Å; H132-G310 VanDerWaalsContact CG-CA 3.48Å
133L61Low60.3Low75 Ų7559.3 Ų59.339%0.39335%0.347SS..G310 helixtrans-83.8-10.2174.2-48.6-177.5000112S130 H131 Q311 W314S130-L133 VanDerWaalsContact O-CB 3.27Å; S130-L133 WeakPolarHBondContact O-CB 3.42Å; S130-L133 WeakPolarHBondContact O-CG 3.22Å; S130-L133 PolarHBondContact O-N 2.92Å; H131-L133 PolarHBondContact O-N 2.93Å; L133-Q311 HydrophobicContact CD2-CB 4.33Å; L133-Q311 HydrophobicContact CD2-CG 3.65Å; L133-W314 HydrophobicContact CD1-CD2 3.96Å; L133-W314 HydrophobicContact CD1-CE3 4.41Å; L133-W314 HydrophobicContact CD1-CG 4.23Å; L133-W314 HydrophobicContact CD1-CZ2 4.35Å; L133-W314 HydrophobicContact CD2-CB 4.23Å; L133-W314 HydrophobicContact CD2-CD2 4.23Å; L133-W314 HydrophobicContact CD2-CE3 4.35Å; L133-W314 HydrophobicContact CD2-CG 4.16Å; L133-W314 HydrophobicContact CG-CG 4.43Å
134D69.4Low61.7Low21 Ų2165.8 Ų65.811%0.11236%0.361CS..SBendtrans-79.3157.4177.2-63-28.3000110.8H131 H132 V136 T365 R369H131-D134 WeakPolarHBondContact O-CB 3.44Å; H131-D134 PolarHBondContact O-N 3.49Å; H132-D134 VanDerWaalsContact C-N 3.3Å; D134-V136 PolarHBondContact O-N 3.33Å; D134-T365 VanDerWaalsContact OD1-CB 3.31Å; D134-T365 WeakPolarHBondContact OD1-CB 3.22Å; D134-T365 WeakPolarHBondContact OD1-CG2 3.38Å; D134-T365 PolarHBondContact OD1-OG1 2.9Å; D134-T365 WeakPolarHBondContact OD2-CG2 3.48Å; D134-R369 IonicContact OD1-NH2 3.74Å; D134-R369 IonicContact OD2-CZ 3.19Å; D134-R369 IonicContact OD2-NH1 3.15Å; D134-R369 IonicContact OD2-NH2 3.28Å; D134-R369 PolarHBondContact OD2-NH2 2.93Å
135A66.8Low62.8Low5 Ų565.4 Ų65.44%0.04136%0.361CS..PPolyproline II helixtrans-55.6141.2170.300000110.3R181 N260 Q361A135-R181 PolarHBondContact O-NH1 2.95Å; A135-R181 VanDerWaalsContact O-NH1 3.17Å; A135-R181 PolarHBondContact O-NH2 3.25Å; A135-N260 WeakPolarHBondContact CA-O 3.35Å; A135-N260 HydrophobicContact CB-CB 4.43Å; A135-N260 WeakPolarHBondContact CB-O 3.32Å; A135-Q361 HydrophobicContact CB-CG 4.19Å; A135-Q361 VanDerWaalsContact CB-OE1 3.23Å; A135-Q361 VanDerWaalsContact N-NE2 3.15Å
136V74.3Confident64Low1 Ų164.7 Ų64.71%0.00634%0.342CS..BIsolated β-bridgetrans-83.7122.4178.9-165.30000108D134 A194 I261 T303 Y306D134-V136 PolarHBondContact O-N 3.33Å; V136-A194 HydrophobicContact CG1-CB 3.53Å; V136-I261 HydrophobicContact CG2-CG1 4.42Å; V136-T303 HydrophobicContact CB-CG2 3.36Å; V136-T303 HydrophobicContact CG1-CG2 3.49Å; V136-T303 VanDerWaalsContact CG1-CG2 3.49Å; V136-T303 HydrophobicContact CG2-CG2 3.71Å; V136-Y306 HydrophobicContact CG1-CD1 4.03Å; V136-Y306 HydrophobicContact CG1-CE1 4.03Å; V136-Y306 HydrophobicContact CG2-CD1 3.79Å; V136-Y306 HydrophobicContact CG2-CE1 3.77Å
137P69.3Low64.6Low17 Ų1767.7 Ų67.711%0.1136%0.358CS..PPolyproline II helixtrans-74.8155.3-17930.6-33.8000110.3S139 R181 R192P137-S139 PolarHBondContact O-N 3.06Å; P137-R181 VanDerWaalsContact CD-NH2 3.29Å; P137-R192 HydrophobicContact CG-CB 4.27Å; P137-R192 HydrophobicContact CG-CG 4.44Å
138C76.3Confident65.5Low41 Ų4166.1 Ų66.128%0.27736%0.358SS..PPolyproline II helixtrans-57.8132171-54.80000110.4H262C138-H262 PolarHBondContact SG-O 3.11Å
139S82.5Confident65.9Low29 Ų2973.1 Ų73.120%0.20338%0.377CS..PPolyproline II helixtrans-64.7150.9177.9-64.50000112P137 T141 R192 D193P137-S139 PolarHBondContact O-N 3.06Å; S139-T141 PolarHBondContact O-N 2.97Å; S139-R192 CarbonylContact C-O 3.56Å; S139-R192 WeakPolarHBondContact CA-O 3.47Å; S139-D193 WeakPolarHBondContact CB-OD1 2.84Å; S139-D193 PolarHBondContact OG-OD1 3.25Å
140T81.4Confident66.1Low40 Ų4080.1 Ų80.125%0.24541%0.413CS..PPolyproline II helixtrans-61.2124172.9-64.10000109.4K190 L191 R192 L219T140-K190 PolarHBondContact OG1-O 3.13Å; T140-L191 WeakPolarHBondContact OG1-CA 3.46Å; T140-R192 PolarHBondContact N-O 2.99Å; T140-R192 PolarHBondContact OG1-N 3.49Å; T140-L219 HydrophobicContact CG2-CD1 4.16Å; T140-L219 HydrophobicContact CG2-CD2 4.47Å
141T77.9Confident66.1Low121 Ų12186.7 Ų86.774%0.74244%0.439SS*.PPolyproline II helixtrans-71.4141.3-175.854.90000112.1S139 N143S139-T141 PolarHBondContact O-N 2.97Å; T141-N143 PolarHBondContact O-N 2.94Å
142I77.3Confident65.4Low107 Ų10793.5 Ų93.555%0.54947%0.468SS..PPolyproline II helixtrans-60.8131.6170.4-60.6173.8000110.1R144 L219I142-R144 PolarHBondContact O-N 3.4Å; I142-R144 VanDerWaalsContact O-N 3.09Å; I142-L219 HydrophobicContact CG1-CD2 4.04Å
143N67.3Low64.8Low68 Ų68100.6 Ų100.636%0.36450%0.495SS..  trans-74.2101.6174.9-172.73.1000110.5T141 S145 D220T141-N143 PolarHBondContact O-N 2.94Å; N143-S145 VanDerWaalsContact C-N 3.27Å; N143-S145 PolarHBondContact O-N 2.86Å; N143-S145 PolarHBondContact OD1-N 2.92Å; N143-S145 VanDerWaalsContact OD1-N 3.1Å; N143-D220 HydrophobicContact CB-CB 4.45Å; N143-D220 VanDerWaalsContact CB-OD2 3.28Å; N143-D220 WeakPolarHBondContact CB-OD2 3.31Å; N143-D220 PolarHBondContact ND2-OD2 3.43Å
144R63.5Low64.2Low235 Ų235103.5 Ų103.589%0.88752%0.515SS*.  trans-80.5-7.3179-61.4-175-177.7-164.70.7113.5I142I142-R144 PolarHBondContact O-N 3.4Å; I142-R144 VanDerWaalsContact O-N 3.09Å
145S55Low63.1Low86 Ų86106.3 Ų106.360%0.60153%0.527SS*.  trans-108.756.9-172.4-59.30000111.3N143 L147N143-S145 VanDerWaalsContact C-N 3.27Å; N143-S145 PolarHBondContact O-N 2.86Å; N143-S145 PolarHBondContact OD1-N 2.92Å; N143-S145 VanDerWaalsContact OD1-N 3.1Å; S145-L147 VanDerWaalsContact C-N 3.27Å; S145-L147 PolarHBondContact O-N 3.03Å
146R57.7Low62.4Low125 Ų125111.3 Ų111.347%0.47256%0.559SS.*  trans-6784.6173.8-71.9-171.1178-169.80.3110.3G148 D217 D220R146-G148 PolarHBondContact O-N 3Å; R146-G148 VanDerWaalsContact O-N 3.12Å; R146-D217 PolarHBondContact NH2-O 2.81Å; R146-D217 IonicContact NH2-OD2 2.75Å; R146-D217 PolarHBondContact NH2-OD2 3.09Å; R146-D220 IonicContact NE-OD1 3.04Å; R146-D220 IonicContact NH2-OD1 2.79Å
147L52.6Low61.3Low178 Ų178113.8 Ų113.893%0.93257%0.572SS**  trans-83.263.8170.4-69.4168000109.5S145S145-L147 VanDerWaalsContact C-N 3.27Å; S145-L147 PolarHBondContact O-N 3.03Å
148G59.3Low60.4Low56 Ų56116.4 Ų116.458%0.57759%0.59SS**SBendtrans-151.3162.6-179.400000111.3R146 D150R146-G148 PolarHBondContact O-N 3Å; R146-G148 VanDerWaalsContact O-N 3.12Å; G148-D150 PolarHBondContact O-N 3.06Å
149R54.7Low59.3Low244 Ų244119 Ų11992%0.92160%0.597SS**  trans-53.6135170.8-76.2-176.5-179.1-179.20.7108.3K151R149-K151 PolarHBondContact O-N 3.4Å
150D55.6Low57.9Low157 Ų157125.1 Ų125.184%0.8463%0.627SS**  trans-46.2104.5168.3-76.6-34.2000108.4G148 K152G148-D150 PolarHBondContact O-N 3.06Å; D150-K152 PolarHBondContact O-N 3.26Å
151K56.1Low56.9Low163 Ų163129.8 Ų129.871%0.70965%0.651SS**  trans-64.896.8159.5-74.3-178.1-177.3172.80103.1R149 R153R149-K151 PolarHBondContact O-N 3.4Å; K151-R153 PolarHBondContact O-N 3.1Å
152K50.7Low56.6Low184 Ų184126.6 Ų126.680%0.863%0.627SS**  trans-48.1114.3161.4-82.9-174.8175.6-177.60104.1D150 T154D150-K152 PolarHBondContact O-N 3.26Å; K152-T154 PolarHBondContact O-N 3.42Å
153R51.9Low56.8Low160 Ų160126.1 Ų126.160%0.60463%0.626SS**  trans-51.298.6170.5-93.8-170.9166.1-179.3-1.6105.3K151 F155 D218K151-R153 PolarHBondContact O-N 3.1Å; R153-F155 HydrophobicContact CB-CB 4.42Å; R153-F155 HydrophobicContact CB-CD2 4Å; R153-F155 HydrophobicContact CG-CD2 3.77Å; R153-F155 HydrophobicContact CG-CE2 4.37Å; R153-F155 PolarHBondContact O-N 2.96Å; R153-D218 IonicContact NH2-OD1 2.8Å
154T49.6Very low57.7Low135 Ų135126.9 Ų126.983%0.82863%0.634SS**  trans-79.556166.248.60000106K152K152-T154 PolarHBondContact O-N 3.42Å
155F45.8Very low58.8Low80 Ų80118.4 Ų118.435%0.35161%0.614SS.*  trans-87.4132.1168.9-100.2-74.7000106.5R153 L157 I214R153-F155 HydrophobicContact CB-CB 4.42Å; R153-F155 HydrophobicContact CB-CD2 4Å; R153-F155 HydrophobicContact CG-CD2 3.77Å; R153-F155 HydrophobicContact CG-CE2 4.37Å; R153-F155 PolarHBondContact O-N 2.96Å; F155-L157 HydrophobicContact CD1-CB 3.62Å; F155-L157 HydrophobicContact CD1-CD1 3.94Å; F155-L157 HydrophobicContact CD1-CG 3.59Å; F155-L157 HydrophobicContact CE1-CB 4.04Å; F155-L157 HydrophobicContact CE1-CD1 3.46Å; F155-L157 VanDerWaalsContact CE1-CD1 3.46Å; F155-L157 HydrophobicContact CE1-CG 3.65Å; F155-I214 HydrophobicContact CZ-CG1 4.17Å
156P51.1Low60.2Low111 Ų111116.4 Ų116.472%0.72160%0.598SS**  trans-109.974.3135.134.2-21.6000106.1
157L51.6Low61.5Low52 Ų52114 Ų11427%0.27259%0.594SS.*  trans-110.659.6146.1-67.9-176.3000105.6F155 F159 M210F155-L157 HydrophobicContact CD1-CB 3.62Å; F155-L157 HydrophobicContact CD1-CD1 3.94Å; F155-L157 HydrophobicContact CD1-CG 3.59Å; F155-L157 HydrophobicContact CE1-CB 4.04Å; F155-L157 HydrophobicContact CE1-CD1 3.46Å; F155-L157 VanDerWaalsContact CE1-CD1 3.46Å; F155-L157 HydrophobicContact CE1-CG 3.65Å; L157-F159 HydrophobicContact CB-CD2 4.48Å; L157-F159 HydrophobicContact CB-CE2 4.1Å; L157-F159 HydrophobicContact CB-CZ 4.27Å; L157-F159 HydrophobicContact CD1-CZ 4.11Å; L157-F159 WeakPolarHBondContact O-CD2 3.21Å; L157-F159 PolarHBondContact O-N 3.35Å; L157-M210 HydrophobicContact CD1-CE 3.75Å; L157-M210 HydrophobicContact CD2-CE 3.7Å; L157-M210 HydrophobicContact CG-CE 4.41Å
158C49.9Very low63.1Low73 Ų73111.7 Ų111.749%0.49358%0.578SS.*  trans-64.193.3155.3-73.70000104.9D160 D161C158-D160 HydrophobicContact CB-CB 4.49Å; C158-D160 PolarHBondContact O-N 3.31Å; C158-D161 PolarHBondContact O-N 3.44Å
159F53.7Low64.4Low95 Ų95114.4 Ų114.442%0.41758%0.576SS.*G310 helixtrans-55.4-18.1171.1-69.1-79.7000111.3L157 D161 H162 M206 M210L157-F159 HydrophobicContact CB-CD2 4.48Å; L157-F159 HydrophobicContact CB-CE2 4.1Å; L157-F159 HydrophobicContact CB-CZ 4.27Å; L157-F159 HydrophobicContact CD1-CZ 4.11Å; L157-F159 WeakPolarHBondContact O-CD2 3.21Å; L157-F159 PolarHBondContact O-N 3.35Å; F159-D161 VanDerWaalsContact C-N 3.29Å; F159-D161 PolarHBondContact O-N 3.05Å; F159-H162 WeakPolarHBondContact CA-ND1 3.43Å; F159-H162 AromaticContact CD1-CE1 3.89Å; F159-H162 PolarHBondContact O-N 3.49Å; F159-H162 PolarHBondContact O-ND1 2.84Å; F159-M206 HydrophobicContact CZ-CE 4.23Å; F159-M210 HydrophobicContact CE1-CE 4.48Å
160D52.9Low65.8Low157 Ų157104.9 Ų104.984%0.8454%0.543SS*.G310 helixtrans-66-15.5173.6-130.611000115.4C158C158-D160 HydrophobicContact CB-CB 4.49Å; C158-D160 PolarHBondContact O-N 3.31Å
161D60.7Low67.4Low139 Ų139101.1 Ų101.174%0.74353%0.534SS*.G310 helixtrans-94.91.5177-70.3-33.8000113.2C158 F159C158-D161 PolarHBondContact O-N 3.44Å; F159-D161 VanDerWaalsContact C-N 3.29Å; F159-D161 PolarHBondContact O-N 3.05Å
162H71.1Confident68.9Low53 Ų5398.4 Ų98.425%0.24553%0.531CS..SBendtrans-73.2141.6176.3-68.380.5000110.5F159 P164 I167 L205F159-H162 WeakPolarHBondContact CA-ND1 3.43Å; F159-H162 AromaticContact CD1-CE1 3.89Å; F159-H162 PolarHBondContact O-N 3.49Å; F159-H162 PolarHBondContact O-ND1 2.84Å; H162-P164 VanDerWaalsContact O-CD 3.32Å; H162-P164 WeakPolarHBondContact O-CD 3.45Å; H162-P164 VanDerWaalsContact O-N 3.14Å; H162-I167 HydrophobicContact CB-CD1 4.07Å; H162-I167 HydrophobicContact CB-CG1 4.1Å; H162-L205 HydrophobicContact CB-CD2 4.24Å; H162-L205 WeakPolarHBondContact CD2-CD2 3.47Å
163D81.6Confident70.6Confident98 Ų9893.8 Ų93.852%0.52451%0.513SS..  trans-54.3120.3174-177.3-9.8000109.8A165 V166 I167D163-A165 PolarHBondContact O-N 3.03Å; D163-A165 VanDerWaalsContact OD1-CB 3.31Å; D163-A165 WeakPolarHBondContact OD1-CB 3.33Å; D163-A165 PolarHBondContact OD1-N 3.23Å; D163-V166 HydrophobicContact CB-CG2 4.07Å; D163-V166 PolarHBondContact O-N 2.77Å; D163-I167 PolarHBondContact O-N 2.82Å
164P86.1Confident72.3Confident84 Ų8490.3 Ų90.355%0.54551%0.511SS..Hα-helixtrans-52-29.7177.3-28.335.6000113.1H162 I167 H168H162-P164 VanDerWaalsContact O-CD 3.32Å; H162-P164 WeakPolarHBondContact O-CD 3.45Å; H162-P164 VanDerWaalsContact O-N 3.14Å; P164-I167 PolarHBondContact O-N 3.47Å; P164-H168 WeakPolarHBondContact O-CB 3.41Å; P164-H168 PolarHBondContact O-CD2 3.01Å; P164-H168 PolarHBondContact O-N 3.48Å
165A86.5Confident74.2Confident56 Ų5690.4 Ų90.446%0.46350%0.502SS..Hα-helixtrans-61.9-42175.700000112.3D163 H168 E169D163-A165 PolarHBondContact O-N 3.03Å; D163-A165 VanDerWaalsContact OD1-CB 3.31Å; D163-A165 WeakPolarHBondContact OD1-CB 3.33Å; D163-A165 PolarHBondContact OD1-N 3.23Å; A165-H168 PolarHBondContact O-N 2.75Å; A165-E169 WeakPolarHBondContact O-CB 3.31Å; A165-E169 PolarHBondContact O-N 2.85Å
166V84.4Confident76.4Confident44 Ų4488.9 Ų88.927%0.26750%0.499SS..Hα-helixtrans-71.1-36.5179.2179.90000110.9D163 E169 N170 L205D163-V166 HydrophobicContact CB-CG2 4.07Å; D163-V166 PolarHBondContact O-N 2.77Å; V166-E169 PolarHBondContact O-N 3.07Å; V166-N170 WeakPolarHBondContact O-CB 3.41Å; V166-N170 PolarHBondContact O-N 3.22Å; V166-L205 HydrophobicContact CG1-CD1 4.44Å; V166-L205 HydrophobicContact CG1-CD2 4Å; V166-L205 HydrophobicContact CG1-CG 4.24Å
167I85.6Confident78.4Confident75 Ų7584.8 Ų84.839%0.38547%0.471SS..Hα-helixtrans-62.6-47.7174.3-59.5175.3000110.1H162 D163 P164 N170 A171H162-I167 HydrophobicContact CB-CD1 4.07Å; H162-I167 HydrophobicContact CB-CG1 4.1Å; D163-I167 PolarHBondContact O-N 2.82Å; P164-I167 PolarHBondContact O-N 3.47Å; I167-N170 PolarHBondContact O-N 3.11Å; I167-A171 WeakPolarHBondContact O-CB 3.13Å; I167-A171 PolarHBondContact O-N 2.9Å
168H86.6Confident80.3Confident130 Ų13082.4 Ų82.460%0.60246%0.459SS*.Hα-helixtrans-64.8-43.6177.5-80.4-59.4000112.3P164 A165 N170 A171 T172P164-H168 WeakPolarHBondContact O-CB 3.41Å; P164-H168 PolarHBondContact O-CD2 3.01Å; P164-H168 PolarHBondContact O-N 3.48Å; A165-H168 PolarHBondContact O-N 2.75Å; H168-N170 VanDerWaalsContact C-N 3.31Å; H168-N170 PolarHBondContact O-N 3.21Å; H168-A171 PolarHBondContact O-N 2.92Å; H168-T172 VanDerWaalsContact O-CG2 3.22Å; H168-T172 WeakPolarHBondContact O-CG2 3.5Å; H168-T172 PolarHBondContact O-N 3.35Å; H168-T172 VanDerWaalsContact O-N 3.1Å; H168-T172 PolarHBondContact O-OG1 3.13Å
169E85.9Confident82.4Confident113 Ų11379 Ų7953%0.52844%0.435SS..Hα-helixtrans-58.6-43.9176.4-174.9178.9-163.300111.1A165 V166 T172 Q173A165-E169 WeakPolarHBondContact O-CB 3.31Å; A165-E169 PolarHBondContact O-N 2.85Å; V166-E169 PolarHBondContact O-N 3.07Å; E169-T172 PolarHBondContact O-N 2.91Å; E169-T172 PolarHBondContact O-OG1 3.03Å; E169-Q173 PolarHBondContact O-NE2 3.3Å
170N85.5Confident84.3Confident43 Ų4374.5 Ų74.523%0.2342%0.416CS..Hα-helixtrans-61.5-50.5174.3177.926.6000112V166 I167 H168 T172 Q173 P202 L205V166-N170 WeakPolarHBondContact O-CB 3.41Å; V166-N170 PolarHBondContact O-N 3.22Å; I167-N170 PolarHBondContact O-N 3.11Å; H168-N170 VanDerWaalsContact C-N 3.31Å; H168-N170 PolarHBondContact O-N 3.21Å; N170-T172 PolarHBondContact O-N 2.98Å; N170-Q173 WeakPolarHBondContact O-CB 3.18Å; N170-Q173 PolarHBondContact O-N 3Å; N170-P202 HydrophobicContact CB-CG 3.83Å; N170-P202 WeakPolarHBondContact OD1-CD 3.39Å; N170-L205 HydrophobicContact CB-CD1 3.75Å; N170-L205 WeakPolarHBondContact ND2-CD1 3.47Å
171A87.4Confident86.2Confident79 Ų7968.5 Ų68.565%0.65338%0.381SS*.Hα-helixtrans-62.8-18-177.800000113.9I167 H168I167-A171 WeakPolarHBondContact O-CB 3.13Å; I167-A171 PolarHBondContact O-N 2.9Å; H168-A171 PolarHBondContact O-N 2.92Å
172T88.4Confident87.7Confident106 Ų10661.9 Ų61.965%0.6535%0.346SS*.THydrogen-bonded Turntrans-85.5-11.2176.1610000114.1H168 E169 N170H168-T172 VanDerWaalsContact O-CG2 3.22Å; H168-T172 WeakPolarHBondContact O-CG2 3.5Å; H168-T172 PolarHBondContact O-N 3.35Å; H168-T172 VanDerWaalsContact O-N 3.1Å; H168-T172 PolarHBondContact O-OG1 3.13Å; E169-T172 PolarHBondContact O-N 2.91Å; E169-T172 PolarHBondContact O-OG1 3.03Å; N170-T172 PolarHBondContact O-N 2.98Å
173Q87.4Confident88.6Confident87 Ų8764.2 Ų64.241%0.40736%0.36SS..SBendtrans-72.5145.7178.2-59.1-55.5-43.600110.9E169 N170E169-Q173 PolarHBondContact O-NE2 3.3Å; N170-Q173 WeakPolarHBondContact O-CB 3.18Å; N170-Q173 PolarHBondContact O-N 3Å
174P87.7Confident89.1Confident86 Ų8661 Ų6156%0.55834%0.342SS*.PPolyproline II helixtrans-65.4136.2173.327.1-32.7000110.5N200P174-N200 WeakPolarHBondContact O-CB 3.34Å; P174-N200 PolarHBondContact O-ND2 3.29Å
175E89Confident89.4Confident137 Ų13763 Ų6364%0.6434%0.344SS*.PPolyproline II helixtrans-78125177.2-174.5-175-134.300110.7L177E175-L177 HydrophobicContact CG-CD2 3.78Å; E175-L177 HydrophobicContact CG-CG 3.82Å
176V90.6Very high89.7Confident49 Ų4962.3 Ų62.330%0.29733%0.333SS..  trans-128.1105.9174.4174.90000109N198 M199 N200 Y241V176-N198 PolarHBondContact N-OD1 2.94Å; V176-N198 CarbonylContact O-C 3.53Å; V176-N198 WeakPolarHBondContact O-CA 3.36Å; V176-N198 PolarHBondContact O-OD1 2.86Å; V176-M199 PolarHBondContact O-N 2.8Å; V176-N200 WeakPolarHBondContact CG2-ND2 3.43Å; V176-Y241 HydrophobicContact CG1-CE1 4.12Å
177L93Very high89.9Confident25 Ų2567.4 Ų67.413%0.13135%0.353CS..EExtended strand (participates in β ladder)trans-94.1110.2-168.7-77.2-167.9000112.4E175 T196 W197 N198 R309E175-L177 HydrophobicContact CG-CD2 3.78Å; E175-L177 HydrophobicContact CG-CG 3.82Å; L177-T196 HydrophobicContact CB-CG2 3.46Å; L177-T196 VanDerWaalsContact CB-CG2 3.46Å; L177-T196 HydrophobicContact CD1-CG2 4.06Å; L177-T196 HydrophobicContact CD2-CG2 3.99Å; L177-T196 HydrophobicContact CG-CG2 4.01Å; L177-W197 WeakPolarHBondContact CA-O 3.13Å; L177-N198 HydrophobicContact CD2-CB 4.05Å; L177-R309 VanDerWaalsContact CB-CZ 3.43Å; L177-R309 PolarHBondContact O-NH1 3.49Å
178V92.4Very high90.1Very high2 Ų266.7 Ų66.71%0.01237%0.365CS..EExtended strand (participates in β ladder)trans-95.1127.6179.1-178.90000110.2I180 T196 W197 M199 Y241V178-I180 HydrophobicContact CB-CD1 4.49Å; V178-I180 HydrophobicContact CG1-CD1 3.85Å; V178-I180 PolarHBondContact O-N 3.44Å; V178-T196 CarbonylContact O-C 3.56Å; V178-T196 WeakPolarHBondContact O-CA 3.39Å; V178-T196 WeakPolarHBondContact O-CG2 3.22Å; V178-W197 PolarHBondContact N-O 3.23Å; V178-W197 PolarHBondContact O-N 3.41Å; V178-M199 HydrophobicContact CG2-CB 3.77Å; V178-M199 HydrophobicContact CG2-SD 4.38Å; V178-Y241 HydrophobicContact CB-CD2 4.19Å; V178-Y241 HydrophobicContact CB-CG 4.26Å; V178-Y241 HydrophobicContact CG1-CD2 3.67Å; V178-Y241 HydrophobicContact CG1-CE2 4.38Å; V178-Y241 HydrophobicContact CG1-CG 3.86Å; V178-Y241 HydrophobicContact CG2-CD1 3.69Å; V178-Y241 HydrophobicContact CG2-CD2 4.02Å; V178-Y241 HydrophobicContact CG2-CE1 4.1Å; V178-Y241 HydrophobicContact CG2-CE2 4.41Å; V178-Y241 HydrophobicContact CG2-CG 3.63Å
179P94.6Very high90.3Very high1 Ų163.9 Ų63.91%0.00635%0.352CS..EExtended strand (participates in β ladder)trans-72.6125.9173.830-32.5000110.2H132 Y306 R309H132-P179 PolarHBondContact CE1-O 3.17Å; P179-Y306 HydrophobicContact CB-CD2 3.66Å; P179-Y306 HydrophobicContact CB-CE2 3.77Å; P179-R309 HydrophobicContact CB-CB 3.93Å; P179-R309 HydrophobicContact CG-CB 4.03Å
180I93.4Very high90.4Very high0 Ų063.8 Ų63.80%035%0.35CS..EExtended strand (participates in β ladder)trans-116131.2179.8-56.4-60.8000110V178 L182 A194 F195 W197 I234 Q237 I238 Y306V178-I180 HydrophobicContact CB-CD1 4.49Å; V178-I180 HydrophobicContact CG1-CD1 3.85Å; V178-I180 PolarHBondContact O-N 3.44Å; I180-L182 HydrophobicContact CG2-CD2 4.32Å; I180-A194 WeakPolarHBondContact O-CA 3.41Å; I180-F195 HydrophobicContact CB-CD2 3.91Å; I180-F195 HydrophobicContact CB-CE1 4.45Å; I180-F195 HydrophobicContact CB-CE2 3.56Å; I180-F195 HydrophobicContact CB-CG 4.48Å; I180-F195 HydrophobicContact CB-CZ 3.87Å; I180-F195 HydrophobicContact CG1-CD2 4.32Å; I180-F195 HydrophobicContact CG1-CE2 3.88Å; I180-F195 HydrophobicContact CG2-CD2 4.41Å; I180-F195 HydrophobicContact CG2-CE1 4.03Å; I180-F195 HydrophobicContact CG2-CE2 3.66Å; I180-F195 HydrophobicContact CG2-CZ 3.43Å; I180-F195 VanDerWaalsContact CG2-CZ 3.43Å; I180-F195 PolarHBondContact N-O 2.67Å; I180-F195 PolarHBondContact O-N 2.95Å; I180-F195 VanDerWaalsContact O-O 3.12Å; I180-W197 HydrophobicContact CD1-CB 4.32Å; I180-W197 HydrophobicContact CG1-CB 3.61Å; I180-I234 HydrophobicContact CG2-CG1 4.06Å; I180-Q237 HydrophobicContact CD1-CB 3.64Å; I180-I238 HydrophobicContact CD1-CG1 4.25Å; I180-Y306 WeakPolarHBondContact O-CE2 3.18Å
181R92.2Very high90.7Very high31 Ų3161.7 Ų61.712%0.11734%0.339CS..EExtended strand (participates in β ladder)trans-117.7131.3171.7-163.6174.6169.6146.1-6.1110.7H131 A135 P137 Q237 Y306H131-R181 PolarHBondContact O-NH1 3.4Å; A135-R181 PolarHBondContact O-NH1 2.95Å; A135-R181 VanDerWaalsContact O-NH1 3.17Å; A135-R181 PolarHBondContact O-NH2 3.25Å; P137-R181 VanDerWaalsContact CD-NH2 3.29Å; R181-Q237 PolarHBondContact O-NE2 3.39Å; R181-Y306 HydrophobicContact CB-CE2 4.18Å; R181-Y306 VanDerWaalsContact CB-OH 3.3Å; R181-Y306 WeakPolarHBondContact CB-OH 3.49Å; R181-Y306 WeakPolarHBondContact CD-OH 3.5Å
182L92.8Very high90.8Very high1 Ų162.4 Ų62.41%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-110.4125.3168.8-56.9-178.7000108I180 M184 L191 R192 D193 F195 L215 I230 A233 I234I180-L182 HydrophobicContact CG2-CD2 4.32Å; L182-M184 HydrophobicContact CB-CE 4.3Å; L182-M184 HydrophobicContact CD2-CE 4.01Å; L182-L191 HydrophobicContact CB-CD2 4.48Å; L182-L191 HydrophobicContact CB-CG 4.37Å; L182-L191 HydrophobicContact CD1-CD2 4.04Å; L182-R192 CarbonylContact O-C 3.6Å; L182-R192 VanDerWaalsContact O-CA 3.28Å; L182-R192 WeakPolarHBondContact O-CA 3.45Å; L182-D193 HydrophobicContact CB-CB 4.38Å; L182-D193 PolarHBondContact N-O 3.28Å; L182-D193 PolarHBondContact O-N 3.08Å; L182-F195 HydrophobicContact CD1-CE1 3.73Å; L182-F195 HydrophobicContact CD1-CZ 4.24Å; L182-F195 HydrophobicContact CG-CE1 3.97Å; L182-F195 HydrophobicContact CG-CZ 4.45Å; L182-L215 HydrophobicContact CD1-CD2 3.96Å; L182-I230 HydrophobicContact CD1-CG1 4.34Å; L182-I230 HydrophobicContact CD1-CG2 3.79Å; L182-I230 HydrophobicContact CD2-CG2 4.36Å; L182-A233 HydrophobicContact CD2-CB 4.01Å; L182-I234 HydrophobicContact CD2-CG1 4.48Å
183D90Very high91Very high102 Ų10258.8 Ų58.855%0.54530%0.301SS..EExtended strand (participates in β ladder)trans-146.891.5173.4-165.6-7.3000107.6L191 R192D183-L191 WeakPolarHBondContact CA-O 3.38Å; D183-R192 WeakPolarHBondContact OD1-CG 3.36Å
184M91.4Very high91.2Very high30 Ų3054.9 Ų54.915%0.14828%0.284CS..EExtended strand (participates in β ladder)trans-139.8146.9-174.263.5-175.876.500111.8L182 I186 K190 L191 F226 A229 I230 A233L182-M184 HydrophobicContact CB-CE 4.3Å; L182-M184 HydrophobicContact CD2-CE 4.01Å; M184-I186 HydrophobicContact SD-CD1 4.18Å; M184-K190 WeakPolarHBondContact O-CA 3.48Å; M184-L191 HydrophobicContact CE-CD2 4.39Å; M184-L191 HydrophobicContact CG-CB 3.83Å; M184-L191 HydrophobicContact CG-CD2 4.26Å; M184-L191 HydrophobicContact CG-CG 4.38Å; M184-L191 PolarHBondContact N-O 3.39Å; M184-L191 PolarHBondContact O-N 2.84Å; M184-L191 HydrophobicContact SD-CD2 4.08Å; M184-F226 HydrophobicContact CG-CD1 4.24Å; M184-F226 HydrophobicContact CG-CE1 3.94Å; M184-F226 HydrophobicContact SD-CD1 3.8Å; M184-F226 HydrophobicContact SD-CE1 4.11Å; M184-A229 HydrophobicContact SD-CB 4.01Å; M184-I230 HydrophobicContact CE-CG1 3.86Å; M184-I230 HydrophobicContact SD-CG1 3.92Å; M184-A233 HydrophobicContact CE-CB 4.42Å
185E93.3Very high91.5Very high125 Ų12552.1 Ų52.158%0.58426%0.263SS*.EExtended strand (participates in β ladder)trans-127.9113.8176-177.9171.6-174.900108.5Q189 K190E185-Q189 CarbonylContact C-O 3.4Å; E185-Q189 VanDerWaalsContact CA-O 3.31Å; E185-Q189 WeakPolarHBondContact CA-O 3.43Å; E185-K190 HydrophobicContact CB-CG 4.16Å; E185-K190 HydrophobicContact CG-CG 3.86Å; E185-K190 WeakPolarHBondContact OE1-CE 3.32Å; E185-K190 IonicContact OE1-NZ 2.69Å; E185-K190 WeakPolarHBondContact OE2-CE 2.95Å; E185-K190 IonicContact OE2-NZ 3.84Å
186I91.7Very high91.7Very high43 Ų4347.6 Ų47.622%0.22125%0.245CC..EExtended strand (participates in β ladder)trans-130.9127.6-177.3-54.5174.6000107.7M184 G188 Q189 A225 F226 A229M184-I186 HydrophobicContact SD-CD1 4.18Å; I186-G188 PolarHBondContact O-N 2.9Å; I186-Q189 PolarHBondContact N-O 3.49Å; I186-Q189 PolarHBondContact O-N 3.14Å; I186-A225 HydrophobicContact CG2-CB 3.86Å; I186-F226 HydrophobicContact CB-CE1 4.3Å; I186-F226 HydrophobicContact CB-CE2 3.87Å; I186-F226 HydrophobicContact CB-CZ 3.75Å; I186-F226 HydrophobicContact CD1-CD1 4.12Å; I186-F226 HydrophobicContact CD1-CE1 4.16Å; I186-F226 HydrophobicContact CD1-CG 4.34Å; I186-F226 HydrophobicContact CD1-CZ 4.42Å; I186-F226 HydrophobicContact CG1-CE1 4.31Å; I186-F226 HydrophobicContact CG1-CZ 4.26Å; I186-A229 HydrophobicContact CD1-CB 3.79Å
187E90.2Very high91.9Very high150 Ų15046.9 Ų46.970%0.70124%0.237SC*.THydrogen-bonded Turntrans53.929.8178.9-62.1176.6165.400113.8Q189 N222E187-Q189 PolarHBondContact O-N 3.06Å; E187-N222 PolarHBondContact OE2-ND2 3Å
188G88.9Confident91.9Very high61 Ų6147.8 Ų47.863%0.62924%0.242SC*.THydrogen-bonded Turntrans79.8-3.4-178.200000114.9I186I186-G188 PolarHBondContact O-N 2.9Å
189Q89.9Confident91.7Very high70 Ų7050.6 Ų50.633%0.32726%0.256SS..EExtended strand (participates in β ladder)trans-86.1136.1168.8-63.6-173.7-38.500109.6E185 I186 E187 L221 F226E185-Q189 CarbonylContact C-O 3.4Å; E185-Q189 VanDerWaalsContact CA-O 3.31Å; E185-Q189 WeakPolarHBondContact CA-O 3.43Å; I186-Q189 PolarHBondContact N-O 3.49Å; I186-Q189 PolarHBondContact O-N 3.14Å; E187-Q189 PolarHBondContact O-N 3.06Å; Q189-L221 HydrophobicContact CB-CD2 4.16Å; Q189-F226 HydrophobicContact CB-CE2 3.85Å; Q189-F226 HydrophobicContact CB-CZ 3.73Å
190K89.5Confident91.1Very high111 Ų11153.3 Ų53.348%0.48327%0.27SS..EExtended strand (participates in β ladder)trans-110.5124.8179.5-67.6-179.9175-176.70110.3T140 M184 E185T140-K190 PolarHBondContact OG1-O 3.13Å; M184-K190 WeakPolarHBondContact O-CA 3.48Å; E185-K190 HydrophobicContact CB-CG 4.16Å; E185-K190 HydrophobicContact CG-CG 3.86Å; E185-K190 WeakPolarHBondContact OE1-CE 3.32Å; E185-K190 IonicContact OE1-NZ 2.69Å; E185-K190 WeakPolarHBondContact OE2-CE 2.95Å; E185-K190 IonicContact OE2-NZ 3.84Å
191L91.4Very high89.8Confident0 Ų054.5 Ų54.50%028%0.282CS..EExtended strand (participates in β ladder)trans-110.4114.8169.8173.760000108.8T140 L182 D183 M184 L215 L219 L221 F226 I230T140-L191 WeakPolarHBondContact OG1-CA 3.46Å; L182-L191 HydrophobicContact CB-CD2 4.48Å; L182-L191 HydrophobicContact CB-CG 4.37Å; L182-L191 HydrophobicContact CD1-CD2 4.04Å; D183-L191 WeakPolarHBondContact CA-O 3.38Å; M184-L191 HydrophobicContact CE-CD2 4.39Å; M184-L191 HydrophobicContact CG-CB 3.83Å; M184-L191 HydrophobicContact CG-CD2 4.26Å; M184-L191 HydrophobicContact CG-CG 4.38Å; M184-L191 PolarHBondContact N-O 3.39Å; M184-L191 PolarHBondContact O-N 2.84Å; M184-L191 HydrophobicContact SD-CD2 4.08Å; L191-L215 HydrophobicContact CD1-CD2 4.5Å; L191-L215 HydrophobicContact CD2-CD2 4.37Å; L191-L219 HydrophobicContact CD1-CD1 3.58Å; L191-L221 HydrophobicContact CB-CD1 4.21Å; L191-L221 HydrophobicContact CD1-CD1 4.13Å; L191-L221 HydrophobicContact CD2-CD1 4.17Å; L191-L221 HydrophobicContact CG-CD1 4.41Å; L191-F226 HydrophobicContact CB-CD1 4.16Å; L191-F226 HydrophobicContact CB-CE1 3.7Å; L191-F226 HydrophobicContact CD2-CD1 4.06Å; L191-F226 HydrophobicContact CD2-CE1 4.44Å; L191-I230 HydrophobicContact CD2-CD1 3.5Å; L191-I230 HydrophobicContact CD2-CG1 3.64Å
192R90.2Very high88.1Confident93 Ų9354.9 Ų54.935%0.35129%0.289SS..EExtended strand (participates in β ladder)trans-121.1126.8168.3-72.9-176.7-73.6-175-3.4108P137 S139 T140 L182 D183P137-R192 HydrophobicContact CG-CB 4.27Å; P137-R192 HydrophobicContact CG-CG 4.44Å; S139-R192 CarbonylContact C-O 3.56Å; S139-R192 WeakPolarHBondContact CA-O 3.47Å; T140-R192 PolarHBondContact N-O 2.99Å; T140-R192 PolarHBondContact OG1-N 3.49Å; L182-R192 CarbonylContact O-C 3.6Å; L182-R192 VanDerWaalsContact O-CA 3.28Å; L182-R192 WeakPolarHBondContact O-CA 3.45Å; D183-R192 WeakPolarHBondContact OD1-CG 3.36Å
193D91.7Very high86.4Confident31 Ų3160.2 Ų60.217%0.16631%0.314CS..EExtended strand (participates in β ladder)trans-156.8155.4174.7-157.310.8000111.4S139 L182 F195S139-D193 WeakPolarHBondContact CB-OD1 2.84Å; S139-D193 PolarHBondContact OG-OD1 3.25Å; L182-D193 HydrophobicContact CB-CB 4.38Å; L182-D193 PolarHBondContact N-O 3.28Å; L182-D193 PolarHBondContact O-N 3.08Å; D193-F195 HydrophobicContact CB-CD1 4.49Å
194A91.1Very high84.9Confident4 Ų462.9 Ų62.93%0.03332%0.32CS..EExtended strand (participates in β ladder)trans-143.3119.2177.100000110.3V136 I180 Y306V136-A194 HydrophobicContact CG1-CB 3.53Å; I180-A194 WeakPolarHBondContact O-CA 3.41Å; A194-Y306 HydrophobicContact CB-CD1 3.73Å; A194-Y306 HydrophobicContact CB-CD2 4.09Å; A194-Y306 HydrophobicContact CB-CE1 3.92Å; A194-Y306 HydrophobicContact CB-CE2 4.26Å; A194-Y306 HydrophobicContact CB-CG 3.84Å
195F94.2Very high84.3Confident28 Ų2862.4 Ų62.412%0.12332%0.319CS..EExtended strand (participates in β ladder)trans-145.4-178.1-176.357.6-94000110.6I180 L182 D193 W197 F211 I234 Y306I180-F195 HydrophobicContact CB-CD2 3.91Å; I180-F195 HydrophobicContact CB-CE1 4.45Å; I180-F195 HydrophobicContact CB-CE2 3.56Å; I180-F195 HydrophobicContact CB-CG 4.48Å; I180-F195 HydrophobicContact CB-CZ 3.87Å; I180-F195 HydrophobicContact CG1-CD2 4.32Å; I180-F195 HydrophobicContact CG1-CE2 3.88Å; I180-F195 HydrophobicContact CG2-CD2 4.41Å; I180-F195 HydrophobicContact CG2-CE1 4.03Å; I180-F195 HydrophobicContact CG2-CE2 3.66Å; I180-F195 HydrophobicContact CG2-CZ 3.43Å; I180-F195 VanDerWaalsContact CG2-CZ 3.43Å; I180-F195 PolarHBondContact N-O 2.67Å; I180-F195 PolarHBondContact O-N 2.95Å; I180-F195 VanDerWaalsContact O-O 3.12Å; L182-F195 HydrophobicContact CD1-CE1 3.73Å; L182-F195 HydrophobicContact CD1-CZ 4.24Å; L182-F195 HydrophobicContact CG-CE1 3.97Å; L182-F195 HydrophobicContact CG-CZ 4.45Å; D193-F195 HydrophobicContact CB-CD1 4.49Å; F195-W197 HydrophobicContact CE2-CE3 4.21Å; F195-F211 HydrophobicContact CD1-CZ 4.27Å; F195-F211 HydrophobicContact CD2-CZ 4.43Å; F195-F211 AromaticContact CE1-CE1 3.83Å; F195-F211 HydrophobicContact CE1-CE1 3.83Å; F195-F211 AromaticContact CE1-CZ 3.8Å; F195-F211 HydrophobicContact CE1-CZ 3.8Å; F195-F211 HydrophobicContact CE2-CE1 4.07Å; F195-F211 AromaticContact CE2-CZ 3.98Å; F195-F211 HydrophobicContact CE2-CZ 3.98Å; F195-F211 HydrophobicContact CZ-CD1 4.41Å; F195-F211 AromaticContact CZ-CE1 3.45Å; F195-F211 HydrophobicContact CZ-CE1 3.45Å; F195-F211 VanDerWaalsContact CZ-CE1 3.45Å; F195-F211 AromaticContact CZ-CZ 3.65Å; F195-F211 HydrophobicContact CZ-CZ 3.65Å; F195-I234 HydrophobicContact CZ-CD1 4.15Å; F195-I234 HydrophobicContact CZ-CG1 4.25Å; F195-Y306 WeakPolarHBondContact O-CD2 3.31Å
196T94.3Very high84Confident42 Ų4260.3 Ų60.326%0.25831%0.31SS..EExtended strand (participates in β ladder)trans-122.4137.4178.2-54.10000109.3L177 V178L177-T196 HydrophobicContact CB-CG2 3.46Å; L177-T196 VanDerWaalsContact CB-CG2 3.46Å; L177-T196 HydrophobicContact CD1-CG2 4.06Å; L177-T196 HydrophobicContact CD2-CG2 3.99Å; L177-T196 HydrophobicContact CG-CG2 4.01Å; V178-T196 CarbonylContact O-C 3.56Å; V178-T196 WeakPolarHBondContact O-CA 3.39Å; V178-T196 WeakPolarHBondContact O-CG2 3.22Å
197W94.2Very high84Confident34 Ų3459.5 Ų59.513%0.12931%0.307CS..EExtended strand (participates in β ladder)trans-120.9133.8-175.1-176.1-85.9000111L177 V178 I180 F195 M199 M206 P208 F211 I234 I238L177-W197 WeakPolarHBondContact CA-O 3.13Å; V178-W197 PolarHBondContact N-O 3.23Å; V178-W197 PolarHBondContact O-N 3.41Å; I180-W197 HydrophobicContact CD1-CB 4.32Å; I180-W197 HydrophobicContact CG1-CB 3.61Å; F195-W197 HydrophobicContact CE2-CE3 4.21Å; W197-M199 PolarHBondContact O-N 3.04Å; W197-M206 HydrophobicContact CH2-CG 4.11Å; W197-P208 HydrophobicContact CZ2-CG 4.42Å; W197-F211 HydrophobicContact CH2-CB 3.98Å; W197-F211 HydrophobicContact CH2-CG 4.43Å; W197-F211 HydrophobicContact CZ3-CB 3.78Å; W197-F211 HydrophobicContact CZ3-CD1 4.33Å; W197-F211 AromaticContact CZ3-CD2 3.91Å; W197-F211 HydrophobicContact CZ3-CD2 3.91Å; W197-F211 AromaticContact CZ3-CG 3.73Å; W197-F211 HydrophobicContact CZ3-CG 3.73Å; W197-I234 HydrophobicContact CD2-CG2 4.42Å; W197-I238 VanDerWaalsContact CD1-CD1 3.44Å; W197-I238 HydrophobicContact CG-CD1 4.2Å
198N92.4Very high84.2Confident44 Ų4452.7 Ų52.724%0.23528%0.275CS..EExtended strand (participates in β ladder)trans-78.7110.3173.3-177.811.4000110.5V176 L177 N200 G201V176-N198 PolarHBondContact N-OD1 2.94Å; V176-N198 CarbonylContact O-C 3.53Å; V176-N198 WeakPolarHBondContact O-CA 3.36Å; V176-N198 PolarHBondContact O-OD1 2.86Å; L177-N198 HydrophobicContact CD2-CB 4.05Å; N198-N200 VanDerWaalsContact C-N 3.29Å; N198-N200 PolarHBondContact O-N 2.69Å; N198-N200 PolarHBondContact OD1-N 3.29Å; N198-N200 VanDerWaalsContact OD1-N 3.13Å; N198-G201 PolarHBondContact O-N 3.13Å
199M87.9Confident84.4Confident62 Ų6252.8 Ų52.831%0.30526%0.26SS..THydrogen-bonded Turntrans-66-30.6179.6175172.2-173.200113.1V176 V178 W197 G201 I238 T243V176-M199 PolarHBondContact O-N 2.8Å; V178-M199 HydrophobicContact CG2-CB 3.77Å; V178-M199 HydrophobicContact CG2-SD 4.38Å; W197-M199 PolarHBondContact O-N 3.04Å; M199-G201 VanDerWaalsContact C-N 3.34Å; M199-I238 HydrophobicContact CB-CG2 4.26Å; M199-I238 HydrophobicContact CE-CG2 3.91Å; M199-I238 HydrophobicContact CG-CG2 3.65Å; M199-I238 HydrophobicContact SD-CG2 3.89Å; M199-T243 HydrophobicContact CE-CG2 3.93Å; M199-T243 HydrophobicContact SD-CG2 4.1Å
200N82.3Confident84.5Confident57 Ų5751.3 Ų51.331%0.30525%0.253SS..THydrogen-bonded Turntrans-89.2-3-176.4-67.5-13000113.3P174 V176 N198 P202P174-N200 WeakPolarHBondContact O-CB 3.34Å; P174-N200 PolarHBondContact O-ND2 3.29Å; V176-N200 WeakPolarHBondContact CG2-ND2 3.43Å; N198-N200 VanDerWaalsContact C-N 3.29Å; N198-N200 PolarHBondContact O-N 2.69Å; N198-N200 PolarHBondContact OD1-N 3.29Å; N198-N200 VanDerWaalsContact OD1-N 3.13Å; N200-P202 VanDerWaalsContact O-N 3.16Å
201G66.6Low84.7Confident26 Ų2648 Ų4827%0.26824%0.239SC..SBendtrans-56.8122.2166.400000107.3N198 M199 E203N198-G201 PolarHBondContact O-N 3.13Å; M199-G201 VanDerWaalsContact C-N 3.34Å; G201-E203 PolarHBondContact O-N 3.37Å; G201-E203 VanDerWaalsContact O-N 3.16Å
202P55.7Low84.8Confident39 Ų3948 Ų4825%0.25324%0.239SC..  trans-57.3131.6173.424.5-25.8000105.9N170 N200 K204 L205N170-P202 HydrophobicContact CB-CG 3.83Å; N170-P202 WeakPolarHBondContact OD1-CD 3.39Å; N200-P202 VanDerWaalsContact O-N 3.16Å; P202-K204 HydrophobicContact CB-CB 4.21Å; P202-K204 HydrophobicContact CB-CD 4.41Å; P202-K204 HydrophobicContact CB-CG 4.21Å; P202-K204 PolarHBondContact O-N 3.38Å; P202-L205 PolarHBondContact O-N 3.38Å
203E57.4Low84.9Confident112 Ų11248.4 Ų48.452%0.52325%0.245SC..THydrogen-bonded Turntrans-55.214.5169.5-164.8166.4-165.500112.7G201 T207 R235G201-E203 PolarHBondContact O-N 3.37Å; G201-E203 VanDerWaalsContact O-N 3.16Å; E203-T207 HydrophobicContact CG-CG2 4.01Å; E203-T207 WeakPolarHBondContact O-CG2 3.5Å; E203-R235 IonicContact OE1-CZ 3.78Å; E203-R235 IonicContact OE1-NE 2.63Å; E203-R235 PolarHBondContact OE1-NE 3.16Å; E203-R235 IonicContact OE1-NH2 2.63Å; E203-R235 PolarHBondContact OE1-NH2 3.41Å
204K57.7Low84.9Confident158 Ų15848.8 Ų48.869%0.68725%0.246SC*.THydrogen-bonded Turntrans-99.1-19.7-176.5-61-177.3-178.1175.10114.1P202P202-K204 HydrophobicContact CB-CB 4.21Å; P202-K204 HydrophobicContact CB-CD 4.41Å; P202-K204 HydrophobicContact CB-CG 4.21Å; P202-K204 PolarHBondContact O-N 3.38Å
205L79.6Confident84.9Confident21 Ų2149.5 Ų49.511%0.1125%0.249CC..THydrogen-bonded Turntrans-112.1-43.6-178.7-67.5177.6000113.8H162 V166 N170 P202 M210H162-L205 HydrophobicContact CB-CD2 4.24Å; H162-L205 WeakPolarHBondContact CD2-CD2 3.47Å; V166-L205 HydrophobicContact CG1-CD1 4.44Å; V166-L205 HydrophobicContact CG1-CD2 4Å; V166-L205 HydrophobicContact CG1-CG 4.24Å; N170-L205 HydrophobicContact CB-CD1 3.75Å; N170-L205 WeakPolarHBondContact ND2-CD1 3.47Å; P202-L205 PolarHBondContact O-N 3.38Å; L205-M210 WeakPolarHBondContact O-CE 3.36Å
206M87.3Confident84.8Confident81 Ų8148.2 Ų48.240%0.39924%0.244SC..SBendtrans-136.9104.2173.6-175.3173-72.500108.9F159 W197F159-M206 HydrophobicContact CZ-CE 4.23Å; W197-M206 HydrophobicContact CH2-CG 4.11Å
207T90.9Very high84.6Confident25 Ų2548.2 Ų48.215%0.15324%0.243CC..  trans-83.6160.9175.770.80000111E203 E209 M210 F211E203-T207 HydrophobicContact CG-CG2 4.01Å; E203-T207 WeakPolarHBondContact O-CG2 3.5Å; T207-E209 WeakPolarHBondContact CB-OE2 3.46Å; T207-E209 PolarHBondContact O-N 3.1Å; T207-E209 PolarHBondContact OG1-N 3.02Å; T207-E209 PolarHBondContact OG1-OE2 3Å; T207-M210 HydrophobicContact CG2-SD 4.15Å; T207-M210 PolarHBondContact O-N 3.16Å; T207-M210 VanDerWaalsContact O-N 3.14Å; T207-M210 WeakPolarHBondContact OG1-CG 3.29Å; T207-M210 PolarHBondContact OG1-N 3.34Å; T207-M210 VanDerWaalsContact OG1-N 3.08Å; T207-F211 PolarHBondContact O-N 2.96Å
208P93.9Very high84.3Confident7 Ų749.3 Ų49.35%0.04525%0.251CS..Hα-helixtrans-53.3-34.2168.8-28.637.3000113.6W197 A212 A231 I234 R235W197-P208 HydrophobicContact CZ2-CG 4.42Å; P208-A212 WeakPolarHBondContact O-CB 3.37Å; P208-A212 PolarHBondContact O-N 3.42Å; P208-A231 HydrophobicContact CB-CB 3.97Å; P208-I234 HydrophobicContact CB-CB 4.11Å; P208-I234 HydrophobicContact CB-CD1 4.21Å; P208-I234 HydrophobicContact CB-CG2 3.99Å; P208-I234 HydrophobicContact CG-CG2 3.92Å; P208-R235 HydrophobicContact CG-CG 4.08Å
209E93.7Very high84.1Confident64 Ų6448.1 Ų48.130%0.29924%0.244SC..Hα-helixtrans-65.7-49.1173.8-67.777.2-170.900112.1T207 F211 A212 E213 A231 R235T207-E209 WeakPolarHBondContact CB-OE2 3.46Å; T207-E209 PolarHBondContact O-N 3.1Å; T207-E209 PolarHBondContact OG1-N 3.02Å; T207-E209 PolarHBondContact OG1-OE2 3Å; E209-F211 VanDerWaalsContact C-N 3.28Å; E209-F211 PolarHBondContact O-N 2.78Å; E209-A212 PolarHBondContact O-N 2.85Å; E209-A212 VanDerWaalsContact O-N 3.13Å; E209-E213 WeakPolarHBondContact O-CG 3.28Å; E209-E213 PolarHBondContact O-N 2.87Å; E209-A231 HydrophobicContact CG-CB 4.03Å; E209-R235 IonicContact OE1-CZ 3.46Å; E209-R235 IonicContact OE1-NH1 3.81Å; E209-R235 PolarHBondContact OE1-NH1 3.22Å; E209-R235 IonicContact OE1-NH2 2.67Å; E209-R235 PolarHBondContact OE1-NH2 3.46Å; E209-R235 IonicContact OE2-CZ 2.9Å; E209-R235 IonicContact OE2-NH1 3.66Å; E209-R235 IonicContact OE2-NH2 2.77Å; E209-R235 PolarHBondContact OE2-NH2 3.28Å
210M91.9Very high84.1Confident38 Ų3847.9 Ų47.919%0.18724%0.244CC..Hα-helixtrans-60.3-43179.5-67168.773.700110.6L157 F159 L205 T207 E213 I214L157-M210 HydrophobicContact CD1-CE 3.75Å; L157-M210 HydrophobicContact CD2-CE 3.7Å; L157-M210 HydrophobicContact CG-CE 4.41Å; F159-M210 HydrophobicContact CE1-CE 4.48Å; L205-M210 WeakPolarHBondContact O-CE 3.36Å; T207-M210 HydrophobicContact CG2-SD 4.15Å; T207-M210 PolarHBondContact O-N 3.16Å; T207-M210 VanDerWaalsContact O-N 3.14Å; T207-M210 WeakPolarHBondContact OG1-CG 3.29Å; T207-M210 PolarHBondContact OG1-N 3.34Å; T207-M210 VanDerWaalsContact OG1-N 3.08Å; M210-E213 PolarHBondContact O-N 2.87Å; M210-I214 WeakPolarHBondContact O-CD1 3.38Å; M210-I214 VanDerWaalsContact O-CG1 3.25Å; M210-I214 WeakPolarHBondContact O-CG1 3.43Å; M210-I214 PolarHBondContact O-N 3.16Å; M210-I214 VanDerWaalsContact O-N 3.14Å
211F93.7Very high84.5Confident41 Ų4146 Ų4618%0.1823%0.234CC..Hα-helixtrans-60.3-48173.4174-94.6000111.6F195 W197 T207 E209 E213 I214 L215 I234F195-F211 HydrophobicContact CD1-CZ 4.27Å; F195-F211 HydrophobicContact CD2-CZ 4.43Å; F195-F211 AromaticContact CE1-CE1 3.83Å; F195-F211 HydrophobicContact CE1-CE1 3.83Å; F195-F211 AromaticContact CE1-CZ 3.8Å; F195-F211 HydrophobicContact CE1-CZ 3.8Å; F195-F211 HydrophobicContact CE2-CE1 4.07Å; F195-F211 AromaticContact CE2-CZ 3.98Å; F195-F211 HydrophobicContact CE2-CZ 3.98Å; F195-F211 HydrophobicContact CZ-CD1 4.41Å; F195-F211 AromaticContact CZ-CE1 3.45Å; F195-F211 HydrophobicContact CZ-CE1 3.45Å; F195-F211 VanDerWaalsContact CZ-CE1 3.45Å; F195-F211 AromaticContact CZ-CZ 3.65Å; F195-F211 HydrophobicContact CZ-CZ 3.65Å; W197-F211 HydrophobicContact CH2-CB 3.98Å; W197-F211 HydrophobicContact CH2-CG 4.43Å; W197-F211 HydrophobicContact CZ3-CB 3.78Å; W197-F211 HydrophobicContact CZ3-CD1 4.33Å; W197-F211 AromaticContact CZ3-CD2 3.91Å; W197-F211 HydrophobicContact CZ3-CD2 3.91Å; W197-F211 AromaticContact CZ3-CG 3.73Å; W197-F211 HydrophobicContact CZ3-CG 3.73Å; T207-F211 PolarHBondContact O-N 2.96Å; E209-F211 VanDerWaalsContact C-N 3.28Å; E209-F211 PolarHBondContact O-N 2.78Å; F211-E213 VanDerWaalsContact C-N 3.35Å; F211-E213 PolarHBondContact O-N 3.35Å; F211-I214 PolarHBondContact O-N 2.87Å; F211-L215 HydrophobicContact CE1-CD2 3.86Å; F211-L215 HydrophobicContact CZ-CD2 4.26Å; F211-L215 WeakPolarHBondContact O-CB 3.45Å; F211-L215 PolarHBondContact O-N 3.14Å; F211-I234 HydrophobicContact CD1-CD1 3.63Å; F211-I234 HydrophobicContact CE1-CD1 4.01Å
212A94.8Very high85.6Confident0 Ų047 Ų470%023%0.233CC..Hα-helixtrans-64-37.7-179.300000112.9P208 E209 L215 C216 V227 I230P208-A212 WeakPolarHBondContact O-CB 3.37Å; P208-A212 PolarHBondContact O-N 3.42Å; E209-A212 PolarHBondContact O-N 2.85Å; E209-A212 VanDerWaalsContact O-N 3.13Å; A212-L215 PolarHBondContact O-N 3.28Å; A212-C216 WeakPolarHBondContact O-CB 3.35Å; A212-C216 PolarHBondContact O-N 3.07Å; A212-C216 PolarHBondContact O-SG 3.34Å; A212-V227 HydrophobicContact CB-CB 4.35Å; A212-V227 HydrophobicContact CB-CG1 4.11Å; A212-V227 HydrophobicContact CB-CG2 4.36Å; A212-I230 HydrophobicContact CB-CB 3.68Å; A212-I230 HydrophobicContact CB-CD1 4.18Å; A212-I230 HydrophobicContact CB-CG2 3.58Å
213E92.3Very high87.3Confident102 Ų10248.4 Ų48.448%0.47724%0.243SC..Hα-helixtrans-62.3-47.2174.9-77.3-179.4-177.400111.4E209 M210 F211 C216 D217 V227E209-E213 WeakPolarHBondContact O-CG 3.28Å; E209-E213 PolarHBondContact O-N 2.87Å; M210-E213 PolarHBondContact O-N 2.87Å; F211-E213 VanDerWaalsContact C-N 3.35Å; F211-E213 PolarHBondContact O-N 3.35Å; E213-C216 PolarHBondContact O-N 2.9Å; E213-D217 PolarHBondContact O-N 3.33Å; E213-V227 HydrophobicContact CB-CG2 4.41Å; E213-V227 HydrophobicContact CG-CG1 3.92Å; E213-V227 HydrophobicContact CG-CG2 3.8Å
214I90.7Very high89Confident39 Ų3950.4 Ų50.420%0.226%0.256CS..Hα-helixtrans-61.9-47.5176.9-65.7164.3000110F155 M210 F211 C216 D217 D218F155-I214 HydrophobicContact CZ-CG1 4.17Å; M210-I214 WeakPolarHBondContact O-CD1 3.38Å; M210-I214 VanDerWaalsContact O-CG1 3.25Å; M210-I214 WeakPolarHBondContact O-CG1 3.43Å; M210-I214 PolarHBondContact O-N 3.16Å; M210-I214 VanDerWaalsContact O-N 3.14Å; F211-I214 PolarHBondContact O-N 2.87Å; I214-C216 VanDerWaalsContact C-N 3.33Å; I214-C216 PolarHBondContact O-N 3.23Å; I214-D217 PolarHBondContact O-N 3.5Å; I214-D218 PolarHBondContact O-N 2.84Å
215L92.1Very high90.7Very high19 Ų1944 Ų4410%0.09923%0.233CC..Hα-helixtrans-60.3-41.6178.8-177.162.7000112L182 L191 F211 A212 D218 L219 I230L182-L215 HydrophobicContact CD1-CD2 3.96Å; L191-L215 HydrophobicContact CD1-CD2 4.5Å; L191-L215 HydrophobicContact CD2-CD2 4.37Å; F211-L215 HydrophobicContact CE1-CD2 3.86Å; F211-L215 HydrophobicContact CZ-CD2 4.26Å; F211-L215 WeakPolarHBondContact O-CB 3.45Å; F211-L215 PolarHBondContact O-N 3.14Å; A212-L215 PolarHBondContact O-N 3.28Å; L215-D218 PolarHBondContact O-N 3.2Å; L215-L219 HydrophobicContact CD1-CD1 3.64Å; L215-L219 HydrophobicContact CD1-CG 4.01Å; L215-L219 HydrophobicContact CG-CD1 4.04Å; L215-L219 WeakPolarHBondContact O-CB 3.24Å; L215-L219 WeakPolarHBondContact O-CG 3.34Å; L215-L219 PolarHBondContact O-N 2.76Å; L215-I230 HydrophobicContact CD2-CD1 4.3Å
216C91.9Very high91.4Very high2 Ų243 Ų431%0.01423%0.227CC..Hα-helixtrans-66.4-38.6176.8-69.50000112.3A212 E213 I214 D220 L221 P223 F226 V227A212-C216 WeakPolarHBondContact O-CB 3.35Å; A212-C216 PolarHBondContact O-N 3.07Å; A212-C216 PolarHBondContact O-SG 3.34Å; E213-C216 PolarHBondContact O-N 2.9Å; I214-C216 VanDerWaalsContact C-N 3.33Å; I214-C216 PolarHBondContact O-N 3.23Å; C216-D220 WeakPolarHBondContact O-CA 3.38Å; C216-D220 PolarHBondContact O-N 3.01Å; C216-L221 HydrophobicContact CB-CB 4.19Å; C216-L221 PolarHBondContact O-N 2.85Å; C216-P223 HydrophobicContact CB-CB 4.34Å; C216-F226 WeakPolarHBondContact SG-CB 3.49Å; C216-V227 HydrophobicContact CB-CG2 4.42Å
217D89Confident91.8Very high42 Ų4239.9 Ų39.923%0.22521%0.213CC..Hα-helixtrans-66.5-43.4175-172.172.1000111.5R146 E213 I214 L219 D220R146-D217 PolarHBondContact NH2-O 2.81Å; R146-D217 IonicContact NH2-OD2 2.75Å; R146-D217 PolarHBondContact NH2-OD2 3.09Å; E213-D217 PolarHBondContact O-N 3.33Å; I214-D217 PolarHBondContact O-N 3.5Å; D217-L219 VanDerWaalsContact C-N 3.33Å; D217-L219 PolarHBondContact O-N 3.18Å; D217-D220 PolarHBondContact O-N 3.27Å
218D87.6Confident92.1Very high57 Ų5742.5 Ų42.531%0.30523%0.231SC..Hα-helixtrans-66.6-35.6-178.8-71.5-19.8000112R153 I214 L215R153-D218 IonicContact NH2-OD1 2.8Å; I214-D218 PolarHBondContact O-N 2.84Å; L215-D218 PolarHBondContact O-N 3.2Å
219L88.8Confident92.2Very high19 Ų1943.8 Ų43.810%0.09924%0.242CC..THydrogen-bonded Turntrans-942.3179.8-60.6-176000114.4T140 I142 L191 L215 D217 L221T140-L219 HydrophobicContact CG2-CD1 4.16Å; T140-L219 HydrophobicContact CG2-CD2 4.47Å; I142-L219 HydrophobicContact CG1-CD2 4.04Å; L191-L219 HydrophobicContact CD1-CD1 3.58Å; L215-L219 HydrophobicContact CD1-CD1 3.64Å; L215-L219 HydrophobicContact CD1-CG 4.01Å; L215-L219 HydrophobicContact CG-CD1 4.04Å; L215-L219 WeakPolarHBondContact O-CB 3.24Å; L215-L219 WeakPolarHBondContact O-CG 3.34Å; L215-L219 PolarHBondContact O-N 2.76Å; D217-L219 VanDerWaalsContact C-N 3.33Å; D217-L219 PolarHBondContact O-N 3.18Å; L219-L221 VanDerWaalsContact C-N 3.27Å; L219-L221 HydrophobicContact CB-CD1 3.98Å; L219-L221 HydrophobicContact CB-CG 3.83Å; L219-L221 HydrophobicContact CD1-CD1 4.12Å; L219-L221 PolarHBondContact O-N 2.84Å
220D88.3Confident92.3Very high56 Ų5640.8 Ų40.830%0.29923%0.227SC..THydrogen-bonded Turntrans52.141.1-174.1-68.4-36.2000113.6N143 R146 C216 D217N143-D220 HydrophobicContact CB-CB 4.45Å; N143-D220 VanDerWaalsContact CB-OD2 3.28Å; N143-D220 WeakPolarHBondContact CB-OD2 3.31Å; N143-D220 PolarHBondContact ND2-OD2 3.43Å; R146-D220 IonicContact NE-OD1 3.04Å; R146-D220 IonicContact NH2-OD1 2.79Å; C216-D220 WeakPolarHBondContact O-CA 3.38Å; C216-D220 PolarHBondContact O-N 3.01Å; D217-D220 PolarHBondContact O-N 3.27Å
221L90.1Very high92.6Very high18 Ų1839 Ų399%0.09422%0.219CC..  trans-87.4161.3176.2-61.6174.6000111.6Q189 L191 C216 L219 P223 F226Q189-L221 HydrophobicContact CB-CD2 4.16Å; L191-L221 HydrophobicContact CB-CD1 4.21Å; L191-L221 HydrophobicContact CD1-CD1 4.13Å; L191-L221 HydrophobicContact CD2-CD1 4.17Å; L191-L221 HydrophobicContact CG-CD1 4.41Å; C216-L221 HydrophobicContact CB-CB 4.19Å; C216-L221 PolarHBondContact O-N 2.85Å; L219-L221 VanDerWaalsContact C-N 3.27Å; L219-L221 HydrophobicContact CB-CD1 3.98Å; L219-L221 HydrophobicContact CB-CG 3.83Å; L219-L221 HydrophobicContact CD1-CD1 4.12Å; L219-L221 PolarHBondContact O-N 2.84Å; L221-P223 WeakPolarHBondContact O-CD 3.4Å; L221-F226 HydrophobicContact CB-CD2 4.03Å; L221-F226 HydrophobicContact CB-CE2 4.43Å; L221-F226 HydrophobicContact CB-CG 4.22Å; L221-F226 HydrophobicContact CD1-CD1 4.08Å; L221-F226 HydrophobicContact CD1-CE1 4.3Å; L221-F226 HydrophobicContact CD1-CG 4.28Å; L221-F226 HydrophobicContact CD2-CE2 4.37Å; L221-F226 HydrophobicContact CD2-CZ 4.31Å
222N90.6Very high92.7Very high46 Ų4640.6 Ų40.625%0.24624%0.235CC..  trans-70.8106.3173.7-179.93.3000111E187 L224 A225 F226E187-N222 PolarHBondContact OE2-ND2 3Å; N222-L224 VanDerWaalsContact C-N 3.29Å; N222-L224 PolarHBondContact O-N 3.19Å; N222-L224 PolarHBondContact OD1-N 3.39Å; N222-A225 HydrophobicContact CB-CB 4.32Å; N222-A225 PolarHBondContact O-N 3.29Å; N222-F226 HydrophobicContact CB-CD2 4.4Å; N222-F226 WeakPolarHBondContact O-CB 3.35Å; N222-F226 WeakPolarHBondContact O-CD2 3.17Å; N222-F226 PolarHBondContact O-N 3.5Å
223P91.7Very high92.7Very high70 Ų7041.6 Ų41.646%0.45524%0.244SC..Hα-helixtrans-66-31.8-173.827.8-34.8000112.4C216 L221 A225 V227C216-P223 HydrophobicContact CB-CB 4.34Å; L221-P223 WeakPolarHBondContact O-CD 3.4Å; P223-A225 PolarHBondContact O-N 3.42Å; P223-V227 HydrophobicContact CB-CG2 4Å; P223-V227 WeakPolarHBondContact O-CB 3.25Å; P223-V227 VanDerWaalsContact O-CG2 3.23Å; P223-V227 WeakPolarHBondContact O-CG2 3.3Å; P223-V227 PolarHBondContact O-N 3.25Å
224L92.4Very high92.8Very high153 Ų15336.8 Ų36.880%0.80122%0.221SC*.Hα-helixtrans-63.6-32-179.9-66.1174.2000112.3N222N222-L224 VanDerWaalsContact C-N 3.29Å; N222-L224 PolarHBondContact O-N 3.19Å; N222-L224 PolarHBondContact OD1-N 3.39Å
225A92.9Very high93Very high24 Ų2438 Ų3820%0.19822%0.223CC..Hα-helixtrans-94-42.8-17800000112I186 N222 P223I186-A225 HydrophobicContact CG2-CB 3.86Å; N222-A225 HydrophobicContact CB-CB 4.32Å; N222-A225 PolarHBondContact O-N 3.29Å; P223-A225 PolarHBondContact O-N 3.42Å
226F94.9Very high93Very high0 Ų043.5 Ų43.50%025%0.248CC..Hα-helixtrans-84.8-37-172.5-81.9-92000114.1M184 I186 Q189 L191 C216 L221 N222 A229 I230M184-F226 HydrophobicContact CG-CD1 4.24Å; M184-F226 HydrophobicContact CG-CE1 3.94Å; M184-F226 HydrophobicContact SD-CD1 3.8Å; M184-F226 HydrophobicContact SD-CE1 4.11Å; I186-F226 HydrophobicContact CB-CE1 4.3Å; I186-F226 HydrophobicContact CB-CE2 3.87Å; I186-F226 HydrophobicContact CB-CZ 3.75Å; I186-F226 HydrophobicContact CD1-CD1 4.12Å; I186-F226 HydrophobicContact CD1-CE1 4.16Å; I186-F226 HydrophobicContact CD1-CG 4.34Å; I186-F226 HydrophobicContact CD1-CZ 4.42Å; I186-F226 HydrophobicContact CG1-CE1 4.31Å; I186-F226 HydrophobicContact CG1-CZ 4.26Å; Q189-F226 HydrophobicContact CB-CE2 3.85Å; Q189-F226 HydrophobicContact CB-CZ 3.73Å; L191-F226 HydrophobicContact CB-CD1 4.16Å; L191-F226 HydrophobicContact CB-CE1 3.7Å; L191-F226 HydrophobicContact CD2-CD1 4.06Å; L191-F226 HydrophobicContact CD2-CE1 4.44Å; C216-F226 WeakPolarHBondContact SG-CB 3.49Å; L221-F226 HydrophobicContact CB-CD2 4.03Å; L221-F226 HydrophobicContact CB-CE2 4.43Å; L221-F226 HydrophobicContact CB-CG 4.22Å; L221-F226 HydrophobicContact CD1-CD1 4.08Å; L221-F226 HydrophobicContact CD1-CE1 4.3Å; L221-F226 HydrophobicContact CD1-CG 4.28Å; L221-F226 HydrophobicContact CD2-CE2 4.37Å; L221-F226 HydrophobicContact CD2-CZ 4.31Å; N222-F226 HydrophobicContact CB-CD2 4.4Å; N222-F226 WeakPolarHBondContact O-CB 3.35Å; N222-F226 WeakPolarHBondContact O-CD2 3.17Å; N222-F226 PolarHBondContact O-N 3.5Å; F226-A229 PolarHBondContact O-N 3.14Å; F226-A229 VanDerWaalsContact O-N 3.14Å; F226-I230 HydrophobicContact CB-CD1 3.94Å; F226-I230 HydrophobicContact CD1-CD1 4.45Å; F226-I230 WeakPolarHBondContact O-CB 3.3Å; F226-I230 WeakPolarHBondContact O-CD1 3.46Å; F226-I230 VanDerWaalsContact O-CG1 3.24Å; F226-I230 WeakPolarHBondContact O-CG1 3.4Å; F226-I230 PolarHBondContact O-N 3.41Å
227V95.9Very high93Very high15 Ų1544.5 Ų44.59%0.09125%0.253CS..Hα-helixtrans-57.3-49.5-175.3171.30000112.4A212 E213 C216 P223 A229 I230 A231A212-V227 HydrophobicContact CB-CB 4.35Å; A212-V227 HydrophobicContact CB-CG1 4.11Å; A212-V227 HydrophobicContact CB-CG2 4.36Å; E213-V227 HydrophobicContact CB-CG2 4.41Å; E213-V227 HydrophobicContact CG-CG1 3.92Å; E213-V227 HydrophobicContact CG-CG2 3.8Å; C216-V227 HydrophobicContact CB-CG2 4.42Å; P223-V227 HydrophobicContact CB-CG2 4Å; P223-V227 WeakPolarHBondContact O-CB 3.25Å; P223-V227 VanDerWaalsContact O-CG2 3.23Å; P223-V227 WeakPolarHBondContact O-CG2 3.3Å; P223-V227 PolarHBondContact O-N 3.25Å; V227-A229 VanDerWaalsContact C-N 3.31Å; V227-A229 PolarHBondContact O-N 3.03Å; V227-I230 PolarHBondContact O-N 2.65Å; V227-A231 WeakPolarHBondContact O-CB 3.41Å; V227-A231 PolarHBondContact O-N 2.97Å
228P96.8Very high93.1Very high81 Ų8143.7 Ų43.753%0.52625%0.248SC..Hα-helixtrans-64.5-36.5178.5-20.133.5000112.6S232P228-S232 WeakPolarHBondContact O-CB 3.36Å; P228-S232 PolarHBondContact O-N 3.38Å
229A96Very high93.2Very high34 Ų3448.4 Ų48.428%0.28127%0.268SS..Hα-helixtrans-68.8-44.8-179.300000111.9M184 I186 F226 V227 A233M184-A229 HydrophobicContact SD-CB 4.01Å; I186-A229 HydrophobicContact CD1-CB 3.79Å; F226-A229 PolarHBondContact O-N 3.14Å; F226-A229 VanDerWaalsContact O-N 3.14Å; V227-A229 VanDerWaalsContact C-N 3.31Å; V227-A229 PolarHBondContact O-N 3.03Å; A229-A233 VanDerWaalsContact O-CB 3.31Å; A229-A233 WeakPolarHBondContact O-CB 3.46Å; A229-A233 PolarHBondContact O-N 3.45Å
230I96.7Very high93Very high0 Ų050.1 Ų50.10%028%0.282CS..Hα-helixtrans-64.9-50.2177.2-64.4162.5000110.2L182 M184 L191 A212 L215 F226 V227 S232 A233 I234L182-I230 HydrophobicContact CD1-CG1 4.34Å; L182-I230 HydrophobicContact CD1-CG2 3.79Å; L182-I230 HydrophobicContact CD2-CG2 4.36Å; M184-I230 HydrophobicContact CE-CG1 3.86Å; M184-I230 HydrophobicContact SD-CG1 3.92Å; L191-I230 HydrophobicContact CD2-CD1 3.5Å; L191-I230 HydrophobicContact CD2-CG1 3.64Å; A212-I230 HydrophobicContact CB-CB 3.68Å; A212-I230 HydrophobicContact CB-CD1 4.18Å; A212-I230 HydrophobicContact CB-CG2 3.58Å; L215-I230 HydrophobicContact CD2-CD1 4.3Å; F226-I230 HydrophobicContact CB-CD1 3.94Å; F226-I230 HydrophobicContact CD1-CD1 4.45Å; F226-I230 WeakPolarHBondContact O-CB 3.3Å; F226-I230 WeakPolarHBondContact O-CD1 3.46Å; F226-I230 VanDerWaalsContact O-CG1 3.24Å; F226-I230 WeakPolarHBondContact O-CG1 3.4Å; F226-I230 PolarHBondContact O-N 3.41Å; V227-I230 PolarHBondContact O-N 2.65Å; I230-S232 VanDerWaalsContact C-N 3.31Å; I230-S232 PolarHBondContact O-N 3Å; I230-A233 PolarHBondContact O-N 2.97Å; I230-A233 VanDerWaalsContact O-N 3.17Å; I230-I234 HydrophobicContact CG2-CD1 3.71Å; I230-I234 HydrophobicContact CG2-CG1 4.34Å; I230-I234 VanDerWaalsContact O-CG1 3.32Å; I230-I234 WeakPolarHBondContact O-CG1 3.39Å; I230-I234 PolarHBondContact O-N 3.26Å
231A96.4Very high92.9Very high2 Ų249.2 Ų49.22%0.01728%0.275CS..Hα-helixtrans-60.1-42-178.900000111.9P208 E209 V227 I234 R235P208-A231 HydrophobicContact CB-CB 3.97Å; E209-A231 HydrophobicContact CG-CB 4.03Å; V227-A231 WeakPolarHBondContact O-CB 3.41Å; V227-A231 PolarHBondContact O-N 2.97Å; A231-I234 PolarHBondContact O-N 3.4Å; A231-R235 PolarHBondContact O-N 2.81Å
232S96.2Very high92.5Very high73 Ų7349.7 Ų49.751%0.5128%0.279SS..Hα-helixtrans-62.9-46.1174.5-175.90000112.1P228 I230 I234 R235 Q236P228-S232 WeakPolarHBondContact O-CB 3.36Å; P228-S232 PolarHBondContact O-N 3.38Å; I230-S232 VanDerWaalsContact C-N 3.31Å; I230-S232 PolarHBondContact O-N 3Å; S232-I234 VanDerWaalsContact C-N 3.32Å; S232-I234 PolarHBondContact O-N 3.39Å; S232-R235 PolarHBondContact O-N 2.8Å; S232-Q236 WeakPolarHBondContact O-CB 3.33Å; S232-Q236 PolarHBondContact O-N 3Å
233A95Very high91.8Very high22 Ų2252.2 Ų52.218%0.18230%0.296CS..Hα-helixtrans-63-37.317900000112.8L182 M184 A229 I230 Q237L182-A233 HydrophobicContact CD2-CB 4.01Å; M184-A233 HydrophobicContact CE-CB 4.42Å; A229-A233 VanDerWaalsContact O-CB 3.31Å; A229-A233 WeakPolarHBondContact O-CB 3.46Å; A229-A233 PolarHBondContact O-N 3.45Å; I230-A233 PolarHBondContact O-N 2.97Å; I230-A233 VanDerWaalsContact O-N 3.17Å; A233-Q237 WeakPolarHBondContact O-CB 3.32Å; A233-Q237 WeakPolarHBondContact O-CG 3.46Å; A233-Q237 PolarHBondContact O-N 3.43Å; A233-Q237 PolarHBondContact O-NE2 2.9Å; A233-Q237 VanDerWaalsContact O-NE2 3.09Å
234I94.8Very high90.7Very high0 Ų054.9 Ų54.90%031%0.307CS..Hα-helixtrans-64.8-52.8174.8-68.7168.4000109.9I180 L182 F195 W197 P208 F211 I230 A231 S232 Q236 Q237 I238I180-I234 HydrophobicContact CG2-CG1 4.06Å; L182-I234 HydrophobicContact CD2-CG1 4.48Å; F195-I234 HydrophobicContact CZ-CD1 4.15Å; F195-I234 HydrophobicContact CZ-CG1 4.25Å; W197-I234 HydrophobicContact CD2-CG2 4.42Å; P208-I234 HydrophobicContact CB-CB 4.11Å; P208-I234 HydrophobicContact CB-CD1 4.21Å; P208-I234 HydrophobicContact CB-CG2 3.99Å; P208-I234 HydrophobicContact CG-CG2 3.92Å; F211-I234 HydrophobicContact CD1-CD1 3.63Å; F211-I234 HydrophobicContact CE1-CD1 4.01Å; I230-I234 HydrophobicContact CG2-CD1 3.71Å; I230-I234 HydrophobicContact CG2-CG1 4.34Å; I230-I234 VanDerWaalsContact O-CG1 3.32Å; I230-I234 WeakPolarHBondContact O-CG1 3.39Å; I230-I234 PolarHBondContact O-N 3.26Å; A231-I234 PolarHBondContact O-N 3.4Å; S232-I234 VanDerWaalsContact C-N 3.32Å; S232-I234 PolarHBondContact O-N 3.39Å; I234-Q236 PolarHBondContact O-N 2.65Å; I234-Q237 PolarHBondContact O-N 3.18Å; I234-Q237 VanDerWaalsContact O-N 3.16Å; I234-I238 HydrophobicContact CG2-CD1 3.62Å; I234-I238 HydrophobicContact CG2-CG1 4.36Å; I234-I238 WeakPolarHBondContact O-CG1 3.45Å; I234-I238 PolarHBondContact O-N 2.81Å
235R94.3Very high89.4Confident66 Ų6650.6 Ų50.625%0.24929%0.29CS..Hα-helixtrans-59.4-45.2-179.4-74.4-164-178.183.20.1112.5E203 P208 E209 A231 S232 Q237 I238 E239E203-R235 IonicContact OE1-CZ 3.78Å; E203-R235 IonicContact OE1-NE 2.63Å; E203-R235 PolarHBondContact OE1-NE 3.16Å; E203-R235 IonicContact OE1-NH2 2.63Å; E203-R235 PolarHBondContact OE1-NH2 3.41Å; P208-R235 HydrophobicContact CG-CG 4.08Å; E209-R235 IonicContact OE1-CZ 3.46Å; E209-R235 IonicContact OE1-NH1 3.81Å; E209-R235 PolarHBondContact OE1-NH1 3.22Å; E209-R235 IonicContact OE1-NH2 2.67Å; E209-R235 PolarHBondContact OE1-NH2 3.46Å; E209-R235 IonicContact OE2-CZ 2.9Å; E209-R235 IonicContact OE2-NH1 3.66Å; E209-R235 IonicContact OE2-NH2 2.77Å; E209-R235 PolarHBondContact OE2-NH2 3.28Å; A231-R235 PolarHBondContact O-N 2.81Å; S232-R235 PolarHBondContact O-N 2.8Å; R235-Q237 VanDerWaalsContact C-N 3.27Å; R235-Q237 PolarHBondContact O-N 3.44Å; R235-I238 PolarHBondContact O-N 3.46Å; R235-E239 WeakPolarHBondContact O-CB 3.49Å; R235-E239 WeakPolarHBondContact O-CG 3.47Å; R235-E239 PolarHBondContact O-N 2.98Å
236Q92.7Very high87.9Confident134 Ų13455.1 Ų55.163%0.62631%0.31SS*.Hα-helixtrans-59.2-40.5178-174-178.711.900111.9S232 I234 S240S232-Q236 WeakPolarHBondContact O-CB 3.33Å; S232-Q236 PolarHBondContact O-N 3Å; I234-Q236 PolarHBondContact O-N 2.65Å; Q236-S240 VanDerWaalsContact O-CB 3.32Å; Q236-S240 WeakPolarHBondContact O-CB 3.49Å; Q236-S240 PolarHBondContact O-N 3.2Å; Q236-S240 PolarHBondContact O-OG 2.8Å
237Q91.1Very high86.4Confident23 Ų2356.2 Ų56.211%0.10732%0.315CS..Hα-helixtrans-69.6-40.4177.8-77.5175.782.300112I180 R181 A233 I234 R235 S240 Y241I180-Q237 HydrophobicContact CD1-CB 3.64Å; R181-Q237 PolarHBondContact O-NE2 3.39Å; A233-Q237 WeakPolarHBondContact O-CB 3.32Å; A233-Q237 WeakPolarHBondContact O-CG 3.46Å; A233-Q237 PolarHBondContact O-N 3.43Å; A233-Q237 PolarHBondContact O-NE2 2.9Å; A233-Q237 VanDerWaalsContact O-NE2 3.09Å; I234-Q237 PolarHBondContact O-N 3.18Å; I234-Q237 VanDerWaalsContact O-N 3.16Å; R235-Q237 VanDerWaalsContact C-N 3.27Å; R235-Q237 PolarHBondContact O-N 3.44Å; Q237-S240 WeakPolarHBondContact CA-OG 3.27Å; Q237-S240 PolarHBondContact O-N 3.49Å; Q237-S240 PolarHBondContact O-OG 3.15Å; Q237-Y241 PolarHBondContact O-N 2.92Å
238I91.1Very high85Confident24 Ų2461.4 Ų61.412%0.12334%0.339CS..Hα-helixtrans-60.1-49.9174-67.7168.2000110.9I180 W197 M199 I234 R235 S240 Y241I180-I238 HydrophobicContact CD1-CG1 4.25Å; W197-I238 VanDerWaalsContact CD1-CD1 3.44Å; W197-I238 HydrophobicContact CG-CD1 4.2Å; M199-I238 HydrophobicContact CB-CG2 4.26Å; M199-I238 HydrophobicContact CE-CG2 3.91Å; M199-I238 HydrophobicContact CG-CG2 3.65Å; M199-I238 HydrophobicContact SD-CG2 3.89Å; I234-I238 HydrophobicContact CG2-CD1 3.62Å; I234-I238 HydrophobicContact CG2-CG1 4.36Å; I234-I238 WeakPolarHBondContact O-CG1 3.45Å; I234-I238 PolarHBondContact O-N 2.81Å; R235-I238 PolarHBondContact O-N 3.46Å; I238-S240 PolarHBondContact O-N 2.81Å; I238-Y241 VanDerWaalsContact O-CB 3.29Å; I238-Y241 WeakPolarHBondContact O-CB 3.35Å; I238-Y241 PolarHBondContact O-N 2.82Å; I238-Y241 VanDerWaalsContact O-N 3.09Å
239E90.1Very high83.8Confident156 Ų15664.9 Ų64.973%0.72935%0.353SS*.Hα-helixtrans-62.2-29.9178.2-72.5173.5-168.100112.5R235 Y241R235-E239 WeakPolarHBondContact O-CB 3.49Å; R235-E239 WeakPolarHBondContact O-CG 3.47Å; R235-E239 PolarHBondContact O-N 2.98Å; E239-Y241 VanDerWaalsContact C-N 3.32Å
240S86Confident83Confident56 Ų5667.2 Ų67.239%0.39236%0.358SS..THydrogen-bonded Turntrans-81.4-10177.978.30000114.4Q236 Q237 I238Q236-S240 VanDerWaalsContact O-CB 3.32Å; Q236-S240 WeakPolarHBondContact O-CB 3.49Å; Q236-S240 PolarHBondContact O-N 3.2Å; Q236-S240 PolarHBondContact O-OG 2.8Å; Q237-S240 WeakPolarHBondContact CA-OG 3.27Å; Q237-S240 PolarHBondContact O-N 3.49Å; Q237-S240 PolarHBondContact O-OG 3.15Å; I238-S240 PolarHBondContact O-N 2.81Å
241Y86.1Confident82.4Confident36 Ų3673 Ų7314%0.14139%0.394CS..SBendtrans-73.7130.8-176.2-171.1-103.4000110.4V176 V178 Q237 I238 E239 T243V176-Y241 HydrophobicContact CG1-CE1 4.12Å; V178-Y241 HydrophobicContact CB-CD2 4.19Å; V178-Y241 HydrophobicContact CB-CG 4.26Å; V178-Y241 HydrophobicContact CG1-CD2 3.67Å; V178-Y241 HydrophobicContact CG1-CE2 4.38Å; V178-Y241 HydrophobicContact CG1-CG 3.86Å; V178-Y241 HydrophobicContact CG2-CD1 3.69Å; V178-Y241 HydrophobicContact CG2-CD2 4.02Å; V178-Y241 HydrophobicContact CG2-CE1 4.1Å; V178-Y241 HydrophobicContact CG2-CE2 4.41Å; V178-Y241 HydrophobicContact CG2-CG 3.63Å; Q237-Y241 PolarHBondContact O-N 2.92Å; I238-Y241 VanDerWaalsContact O-CB 3.29Å; I238-Y241 WeakPolarHBondContact O-CB 3.35Å; I238-Y241 PolarHBondContact O-N 2.82Å; I238-Y241 VanDerWaalsContact O-N 3.09Å; E239-Y241 VanDerWaalsContact C-N 3.32Å; Y241-T243 PolarHBondContact O-N 3.42Å
242P80.9Confident81.9Confident28 Ų2875.5 Ų75.518%0.18241%0.407CS..  trans-66.6119.6179.127.4-33.5000110.4Q316 R317P242-Q316 HydrophobicContact CG-CB 4.47Å; P242-R317 HydrophobicContact CB-CG 3.88Å; P242-R317 HydrophobicContact CG-CG 4.05Å
243T75.6Confident81.6Confident99 Ų9972.7 Ų72.761%0.60739%0.385SS*.  trans-96.2-22.1174.353.10000112.9M199 Y241 S245M199-T243 HydrophobicContact CE-CG2 3.93Å; M199-T243 HydrophobicContact SD-CG2 4.1Å; Y241-T243 PolarHBondContact O-N 3.42Å; T243-S245 PolarHBondContact O-N 2.8Å
244D69.3Low81.5Confident126 Ų12673 Ų7367%0.67438%0.382SS*.  trans-81115.2179.6-69.5-19.8000110L246D244-L246 HydrophobicContact CB-CD2 4.45Å; D244-L246 HydrophobicContact CB-CG 4.44Å; D244-L246 PolarHBondContact O-N 3.45Å
245S63.8Low81.3Confident64 Ų6473.4 Ų73.445%0.44838%0.384SS..  trans-77.473.5172.1-128.30000109.4T243 L247 E248T243-S245 PolarHBondContact O-N 2.8Å; S245-L247 PolarHBondContact O-N 3.05Å; S245-E248 VanDerWaalsContact CB-CD 3.5Å; S245-E248 VanDerWaalsContact CB-OE1 3.22Å; S245-E248 WeakPolarHBondContact CB-OE1 3.15Å; S245-E248 PolarHBondContact O-N 3.49Å
246L62.1Low81.3Confident118 Ų11873 Ų7362%0.61839%0.386SS*.THydrogen-bonded Turntrans-58.5-11.3176.9-65.1176000113.4D244D244-L246 HydrophobicContact CB-CD2 4.45Å; D244-L246 HydrophobicContact CB-CG 4.44Å; D244-L246 PolarHBondContact O-N 3.45Å
247L64.3Low81.4Confident23 Ų2366.6 Ų66.612%0.1236%0.356CS..THydrogen-bonded Turntrans-1097-177.4-52.5178.4000112.8S245 D249 Q250 M276 Y319S245-L247 PolarHBondContact O-N 3.05Å; L247-D249 PolarHBondContact O-N 3.25Å; L247-Q250 PolarHBondContact O-N 3.41Å; L247-Q250 VanDerWaalsContact O-N 3.12Å; L247-M276 HydrophobicContact CD1-CE 3.86Å; L247-Y319 HydrophobicContact CD2-CD1 4.16Å
248E65.9Low81.5Confident125 Ų12571.2 Ų71.258%0.58438%0.376SS*.THydrogen-bonded Turntrans-54.2132.5172.8-100.6165-156.400110S245 Q250S245-E248 VanDerWaalsContact CB-CD 3.5Å; S245-E248 VanDerWaalsContact CB-OE1 3.22Å; S245-E248 WeakPolarHBondContact CB-OE1 3.15Å; S245-E248 PolarHBondContact O-N 3.49Å; E248-Q250 VanDerWaalsContact C-N 3.31Å; E248-Q250 PolarHBondContact O-N 3.34Å
249D70.9Confident81.7Confident154 Ų15470.2 Ų70.282%0.82437%0.371SS*.THydrogen-bonded Turntrans70.68-177.4-51.7-35.8000117.2L247L247-D249 PolarHBondContact O-N 3.25Å
250Q79.1Confident81.7Confident83 Ų8365.3 Ų65.339%0.38835%0.35SS..  trans-84.6148.3169.7-59.2-168.225.400111.8L247 E248 Q253 S277L247-Q250 PolarHBondContact O-N 3.41Å; L247-Q250 VanDerWaalsContact O-N 3.12Å; E248-Q250 VanDerWaalsContact C-N 3.31Å; E248-Q250 PolarHBondContact O-N 3.34Å; Q250-Q253 HydrophobicContact CB-CG 3.85Å; Q250-Q253 VanDerWaalsContact OE1-CD 3.28Å; Q250-S277 WeakPolarHBondContact O-CB 3.37Å
251T84.3Confident82Confident122 Ų12262.6 Ų62.675%0.74833%0.331SS*.  trans-110.8153.3176.459.30000111Q253T251-Q253 PolarHBondContact O-NE2 2.84Å
252D87.3Confident82.1Confident54 Ų5461 Ų6129%0.28933%0.325SS..  trans53.659.8175.9-163.43.9000112.8R254D252-R254 VanDerWaalsContact C-N 3.27Å; D252-R254 PolarHBondContact O-N 2.95Å; D252-R254 WeakPolarHBondContact OD1-CG 3.24Å; D252-R254 IonicContact OD1-CZ 2.55Å; D252-R254 IonicContact OD1-NE 3.15Å; D252-R254 PolarHBondContact OD1-NE 3.25Å; D252-R254 IonicContact OD1-NH2 3.07Å; D252-R254 PolarHBondContact OD1-NH2 2.79Å; D252-R254 IonicContact OD2-NE 3.62Å; D252-R254 IonicContact OD2-NH2 3.61Å; D252-R254 PolarHBondContact OD2-NH2 3.43Å; D252-R254 VanDerWaalsContact OD2-NH2 3.15Å
253Q89.1Confident82.5Confident13 Ų1360.2 Ų60.26%0.06132%0.32CS..  trans-97.448.3-179.6-62-68.8-61.100110.3Q250 T251 D275 M276 Y319Q250-Q253 HydrophobicContact CB-CG 3.85Å; Q250-Q253 VanDerWaalsContact OE1-CD 3.28Å; T251-Q253 PolarHBondContact O-NE2 2.84Å; Q253-D275 PolarHBondContact N-OD1 2.9Å; Q253-D275 VanDerWaalsContact N-OD1 3.17Å; Q253-M276 HydrophobicContact CB-CB 4.22Å; Q253-M276 HydrophobicContact CB-CE 4.27Å; Q253-M276 PolarHBondContact O-N 3.2Å; Q253-M276 VanDerWaalsContact O-N 3.17Å; Q253-Y319 VanDerWaalsContact OE1-CZ 3.29Å
254R92.6Very high83Confident30 Ų3058 Ų5811%0.11332%0.316CS..EExtended strand (participates in β ladder)trans-72.6136.1-176.5-74.6-177-68.1127.79.2112.2D252 E273 W274 D275 L326 P327 V329D252-R254 VanDerWaalsContact C-N 3.27Å; D252-R254 PolarHBondContact O-N 2.95Å; D252-R254 WeakPolarHBondContact OD1-CG 3.24Å; D252-R254 IonicContact OD1-CZ 2.55Å; D252-R254 IonicContact OD1-NE 3.15Å; D252-R254 PolarHBondContact OD1-NE 3.25Å; D252-R254 IonicContact OD1-NH2 3.07Å; D252-R254 PolarHBondContact OD1-NH2 2.79Å; D252-R254 IonicContact OD2-NE 3.62Å; D252-R254 IonicContact OD2-NH2 3.61Å; D252-R254 PolarHBondContact OD2-NH2 3.43Å; D252-R254 VanDerWaalsContact OD2-NH2 3.15Å; R254-E273 IonicContact CZ-OE2 2.93Å; R254-E273 IonicContact NH1-OE2 2.82Å; R254-E273 PolarHBondContact NH1-OE2 3.17Å; R254-W274 CarbonylContact C-O 3.34Å; R254-W274 VanDerWaalsContact CA-O 3.31Å; R254-W274 WeakPolarHBondContact CA-O 3.39Å; R254-D275 HydrophobicContact CG-CB 3.81Å; R254-L326 HydrophobicContact CB-CD1 3.92Å; R254-P327 PolarHBondContact NH2-O 2.86Å; R254-V329 VanDerWaalsContact CZ-CG2 3.46Å
255V91.5Very high83.9Confident8 Ų855.5 Ų55.55%0.04830%0.302CS..EExtended strand (participates in β ladder)trans-129.2160.6173-64.90000110.2I257 E273 W274 M276 L312 H315 Y319V255-I257 HydrophobicContact CG2-CD1 4.19Å; V255-E273 CarbonylContact O-C 3.54Å; V255-E273 WeakPolarHBondContact O-CA 3.3Å; V255-W274 PolarHBondContact N-O 2.77Å; V255-W274 PolarHBondContact O-N 3.46Å; V255-M276 HydrophobicContact CG1-CE 3.61Å; V255-M276 HydrophobicContact CG1-SD 4Å; V255-M276 HydrophobicContact CG2-CG 3.95Å; V255-M276 HydrophobicContact CG2-SD 4Å; V255-L312 HydrophobicContact CG2-CD2 4.4Å; V255-H315 HydrophobicContact CG1-CB 4.14Å; V255-H315 HydrophobicContact CG2-CB 4.44Å; V255-Y319 HydrophobicContact CG1-CD2 3.7Å; V255-Y319 HydrophobicContact CG1-CE2 3.82Å
256I93Very high85.3Confident56 Ų5654.8 Ų54.829%0.28729%0.293SS..EExtended strand (participates in β ladder)trans-93.8118.3174.6-55.4-179.9000108.6K258 Q271 L326 W342I256-K258 HydrophobicContact CG2-CG 4.15Å; I256-Q271 HydrophobicContact CG2-CB 4.47Å; I256-L326 HydrophobicContact CD1-CD2 4.16Å; I256-L326 HydrophobicContact CG1-CD1 4.01Å; I256-L326 HydrophobicContact CG1-CD2 4.23Å; I256-W342 HydrophobicContact CD1-CH2 3.72Å; I256-W342 HydrophobicContact CD1-CZ2 4.29Å; I256-W342 HydrophobicContact CG1-CH2 3.89Å; I256-W342 HydrophobicContact CG2-CH2 4.05Å; I256-W342 HydrophobicContact CG2-CZ3 4.06Å
257I94.8Very high86.8Confident0 Ų049.1 Ų49.10%026%0.264CS..EExtended strand (participates in β ladder)trans-93.6134.9171.3-60-63.9000108.5V255 L259 Q271 F272 W274 I308 Q311 L312V255-I257 HydrophobicContact CG2-CD1 4.19Å; I257-L259 HydrophobicContact CG2-CD2 4.18Å; I257-Q271 VanDerWaalsContact O-CA 3.25Å; I257-Q271 WeakPolarHBondContact O-CA 3.39Å; I257-F272 HydrophobicContact CB-CD2 4.02Å; I257-F272 HydrophobicContact CB-CE2 3.6Å; I257-F272 HydrophobicContact CB-CZ 4.07Å; I257-F272 HydrophobicContact CG1-CE2 4.16Å; I257-F272 HydrophobicContact CG2-CE1 4.48Å; I257-F272 HydrophobicContact CG2-CE2 3.67Å; I257-F272 HydrophobicContact CG2-CZ 3.65Å; I257-F272 PolarHBondContact N-O 2.92Å; I257-F272 PolarHBondContact O-N 3.25Å; I257-W274 HydrophobicContact CG1-CB 3.63Å; I257-W274 HydrophobicContact CG1-CG 4.28Å; I257-I308 HydrophobicContact CG2-CG1 4.12Å; I257-Q311 HydrophobicContact CD1-CB 3.57Å; I257-L312 HydrophobicContact CD1-CD2 4.08Å; I257-L312 HydrophobicContact CD1-CG 4.35Å
258K94.3Very high88.2Confident121 Ų12148 Ų4853%0.52626%0.258SS..EExtended strand (participates in β ladder)trans-122.6116.3178.4-62.4-172.2176-174.40110.1I256 D270 Q271 Q311I256-K258 HydrophobicContact CG2-CG 4.15Å; K258-D270 CarbonylContact C-O 3.41Å; K258-D270 WeakPolarHBondContact CA-O 3.32Å; K258-Q271 HydrophobicContact CG-CB 3.99Å; K258-Q311 PolarHBondContact O-NE2 3.27Å; K258-Q311 PolarHBondContact O-OE1 3.24Å
259L94.1Very high89.6Confident2 Ų244.7 Ų44.71%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-87.9133.7175.4-57.1-175.2000109.6I257 I261 V269 D270 F272 L290 I304 I308I257-L259 HydrophobicContact CG2-CD2 4.18Å; L259-I261 HydrophobicContact CB-CD1 4.28Å; L259-I261 HydrophobicContact CD2-CD1 4.32Å; L259-V269 WeakPolarHBondContact O-CA 3.42Å; L259-D270 HydrophobicContact CB-CB 4.18Å; L259-D270 HydrophobicContact CD1-CB 4.36Å; L259-D270 HydrophobicContact CG-CB 4.49Å; L259-D270 PolarHBondContact N-O 3.24Å; L259-D270 PolarHBondContact O-N 2.91Å; L259-F272 HydrophobicContact CD1-CE1 3.68Å; L259-F272 HydrophobicContact CD1-CZ 4.13Å; L259-F272 HydrophobicContact CD2-CE1 4.46Å; L259-F272 HydrophobicContact CD2-CZ 4.3Å; L259-F272 HydrophobicContact CG-CE1 3.78Å; L259-F272 HydrophobicContact CG-CZ 4.12Å; L259-L290 HydrophobicContact CD1-CD2 3.94Å; L259-I304 HydrophobicContact CD1-CG1 4.31Å; L259-I304 HydrophobicContact CD1-CG2 3.81Å; L259-I304 HydrophobicContact CD2-CG2 4.49Å; L259-I308 HydrophobicContact CD2-CG1 3.94Å
260N91.2Very high90.8Very high53 Ų5337.9 Ų37.928%0.28321%0.209SC..EExtended strand (participates in β ladder)trans-142.994.4168.4-1748.8000107.7A135 H262 L268A135-N260 WeakPolarHBondContact CA-O 3.35Å; A135-N260 HydrophobicContact CB-CB 4.43Å; A135-N260 WeakPolarHBondContact CB-O 3.32Å; N260-H262 PolarHBondContact OD1-CE1 3.39Å; N260-H262 PolarHBondContact OD1-NE2 3.33Å; N260-L268 WeakPolarHBondContact CA-O 3.48Å
261I91.2Very high91.6Very high0 Ų035.6 Ų35.60%020%0.199CC..EExtended strand (participates in β ladder)trans-126134.2-165.4-66.5169000109V136 L259 V263 S267 L268 F300 T303 I304V136-I261 HydrophobicContact CG2-CG1 4.42Å; L259-I261 HydrophobicContact CB-CD1 4.28Å; L259-I261 HydrophobicContact CD2-CD1 4.32Å; I261-V263 HydrophobicContact CG2-CG2 4Å; I261-S267 WeakPolarHBondContact O-CA 3.36Å; I261-L268 HydrophobicContact CB-CB 4.41Å; I261-L268 PolarHBondContact N-O 3.43Å; I261-L268 PolarHBondContact O-N 2.97Å; I261-F300 HydrophobicContact CG2-CD1 3.98Å; I261-F300 HydrophobicContact CG2-CE1 4Å; I261-T303 HydrophobicContact CB-CG2 4.35Å; I261-T303 HydrophobicContact CD1-CG2 4.12Å; I261-T303 HydrophobicContact CG1-CG2 4.01Å; I261-T303 HydrophobicContact CG2-CG2 3.49Å; I261-T303 VanDerWaalsContact CG2-CG2 3.49Å; I261-I304 HydrophobicContact CD1-CB 4.05Å; I261-I304 HydrophobicContact CD1-CG1 3.36Å
262H89.3Confident92.2Very high3 Ų331 Ų311%0.01417%0.168CC..EExtended strand (participates in β ladder)trans-124.7121.8-179.7-55.7-37.9000108.5C138 N260 S267 M354C138-H262 PolarHBondContact SG-O 3.11Å; N260-H262 PolarHBondContact OD1-CE1 3.39Å; N260-H262 PolarHBondContact OD1-NE2 3.33Å; H262-S267 PolarHBondContact CE1-OG 2.91Å; H262-S267 VanDerWaalsContact CE1-OG 3.27Å; H262-S267 PolarHBondContact ND1-OG 2.99Å; H262-M354 HydrophobicContact CB-CE 3.74Å; H262-M354 HydrophobicContact CB-SD 4.07Å; H262-M354 WeakPolarHBondContact ND1-CE 3.45Å
263V88.5Confident92.7Very high11 Ų1131.3 Ų31.37%0.06717%0.168CC..EExtended strand (participates in β ladder)trans-138118.6-179.1165.90000107.8I261 N265 I266 E299 F300I261-V263 HydrophobicContact CG2-CG2 4Å; V263-N265 PolarHBondContact O-N 3.06Å; V263-N265 VanDerWaalsContact O-N 3.15Å; V263-I266 PolarHBondContact N-O 3.13Å; V263-I266 PolarHBondContact O-N 3.3Å; V263-E299 HydrophobicContact CB-CG 4.12Å; V263-E299 HydrophobicContact CG1-CG 3.43Å; V263-E299 VanDerWaalsContact CG1-CG 3.43Å; V263-E299 WeakPolarHBondContact CG1-OE1 3.34Å; V263-E299 HydrophobicContact CG2-CG 3.58Å; V263-F300 HydrophobicContact CB-CD1 4.32Å; V263-F300 HydrophobicContact CB-CD2 3.88Å; V263-F300 HydrophobicContact CB-CE1 3.94Å; V263-F300 HydrophobicContact CB-CE2 3.47Å; V263-F300 VanDerWaalsContact CB-CE2 3.47Å; V263-F300 HydrophobicContact CB-CG 4.29Å; V263-F300 HydrophobicContact CB-CZ 3.51Å; V263-F300 HydrophobicContact CG1-CD2 3.77Å; V263-F300 HydrophobicContact CG1-CE2 3.58Å; V263-F300 HydrophobicContact CG1-CG 4.5Å; V263-F300 HydrophobicContact CG1-CZ 4.16Å; V263-F300 HydrophobicContact CG2-CD1 4Å; V263-F300 HydrophobicContact CG2-CD2 4.16Å; V263-F300 HydrophobicContact CG2-CE1 3.98Å; V263-F300 HydrophobicContact CG2-CE2 4.16Å; V263-F300 HydrophobicContact CG2-CG 4.09Å; V263-F300 HydrophobicContact CG2-CZ 4.08Å
264G86.8Confident93Very high51 Ų5131.7 Ų31.753%0.52617%0.169SC..THydrogen-bonded Turntrans55-119.1-170.200000111
265N88.9Confident93.1Very high74 Ų7432 Ų3240%0.39617%0.173SC..THydrogen-bonded Turntrans-10511.1178.370-28.6000113.3V263 T348 L349V263-N265 PolarHBondContact O-N 3.06Å; V263-N265 VanDerWaalsContact O-N 3.15Å; N265-T348 VanDerWaalsContact ND2-CG2 3.31Å; N265-T348 WeakPolarHBondContact ND2-CG2 3.21Å; N265-T348 CarbonylContact O-C 3.45Å; N265-T348 WeakPolarHBondContact O-CA 3.23Å; N265-L349 WeakPolarHBondContact CB-O 3.21Å; N265-L349 PolarHBondContact O-N 3.02Å
266I92.8Very high93Very high49 Ų4933.2 Ų33.225%0.25118%0.179SC..EExtended strand (participates in β ladder)trans-107.6129.2-178.6-57.6174.8000109.1V263 F300 L346 E347V263-I266 PolarHBondContact N-O 3.13Å; V263-I266 PolarHBondContact O-N 3.3Å; I266-F300 HydrophobicContact CB-CE2 4.15Å; I266-F300 HydrophobicContact CB-CZ 3.76Å; I266-F300 HydrophobicContact CD1-CE2 4.49Å; I266-F300 HydrophobicContact CG2-CE2 4.2Å; I266-F300 HydrophobicContact CG2-CZ 3.6Å; I266-L346 HydrophobicContact CG2-CD2 3.89Å; I266-E347 WeakPolarHBondContact CA-O 3.44Å
267S92.6Very high92.9Very high0 Ų032.3 Ų32.30%018%0.177CC..EExtended strand (participates in β ladder)trans-109.1122.6174.81770000109.5I261 H262 L346 E347 K357I261-S267 WeakPolarHBondContact O-CA 3.36Å; H262-S267 PolarHBondContact CE1-OG 2.91Å; H262-S267 VanDerWaalsContact CE1-OG 3.27Å; H262-S267 PolarHBondContact ND1-OG 2.99Å; S267-L346 WeakPolarHBondContact O-CA 3.49Å; S267-E347 PolarHBondContact N-O 2.7Å; S267-E347 PolarHBondContact O-N 3.38Å; S267-K357 PolarHBondContact OG-NZ 2.9Å
268L94.3Very high92.7Very high0 Ų036.9 Ų36.90%020%0.199CC..EExtended strand (participates in β ladder)trans-105125.9171172.462.6000109.7N260 I261 L294 L296 F300 I304 P344 L345 L346N260-L268 WeakPolarHBondContact CA-O 3.48Å; I261-L268 HydrophobicContact CB-CB 4.41Å; I261-L268 PolarHBondContact N-O 3.43Å; I261-L268 PolarHBondContact O-N 2.97Å; L268-L294 HydrophobicContact CD1-CD1 4.01Å; L268-L296 HydrophobicContact CD2-CD1 4.24Å; L268-F300 HydrophobicContact CB-CE1 3.97Å; L268-F300 HydrophobicContact CD2-CD1 4.45Å; L268-I304 HydrophobicContact CD2-CD1 3.75Å; L268-I304 HydrophobicContact CD2-CG1 4.09Å; L268-P344 HydrophobicContact CD1-CB 4.05Å; L268-L345 WeakPolarHBondContact CA-O 3.24Å; L268-L346 HydrophobicContact CB-CD2 3.76Å; L268-L346 HydrophobicContact CD1-CD2 3.74Å; L268-L346 HydrophobicContact CD1-CG 4.13Å; L268-L346 HydrophobicContact CG-CD2 4.29Å
269V94.8Very high92.5Very high54 Ų5440.8 Ų40.833%0.32721%0.21SC..EExtended strand (participates in β ladder)trans-126.4128.7171-179.60000108.7L259 L345L259-V269 WeakPolarHBondContact O-CA 3.42Å; V269-L345 PolarHBondContact N-O 3.01Å; V269-L345 PolarHBondContact O-N 3.3Å
270D96.1Very high92.4Very high11 Ų1147.5 Ų47.56%0.05924%0.241CC..EExtended strand (participates in β ladder)trans-151.5162.2179.9-165.88.5000110.6K258 L259 P344K258-D270 CarbonylContact C-O 3.41Å; K258-D270 WeakPolarHBondContact CA-O 3.32Å; L259-D270 HydrophobicContact CB-CB 4.18Å; L259-D270 HydrophobicContact CD1-CB 4.36Å; L259-D270 HydrophobicContact CG-CB 4.49Å; L259-D270 PolarHBondContact N-O 3.24Å; L259-D270 PolarHBondContact O-N 2.91Å; D270-P344 HydrophobicContact CB-CB 4.09Å
271Q95.9Very high92.6Very high36 Ų3648.1 Ų48.117%0.16825%0.245CC..EExtended strand (participates in β ladder)trans-146.6139.1168.264.3178.510.100111.9I256 I257 K258 Q341 W342I256-Q271 HydrophobicContact CG2-CB 4.47Å; I257-Q271 VanDerWaalsContact O-CA 3.25Å; I257-Q271 WeakPolarHBondContact O-CA 3.39Å; K258-Q271 HydrophobicContact CG-CB 3.99Å; Q271-Q341 VanDerWaalsContact CG-O 3.3Å; Q271-Q341 WeakPolarHBondContact CG-O 3.49Å; Q271-Q341 PolarHBondContact NE2-O 3.15Å; Q271-W342 HydrophobicContact CG-CD2 4.11Å; Q271-W342 HydrophobicContact CG-CE3 3.99Å; Q271-W342 HydrophobicContact CG-CG 4.39Å; Q271-W342 VanDerWaalsContact O-CE3 3.3Å
272F97.3Very high92.9Very high25 Ų2549.6 Ų49.611%0.1126%0.255CS..EExtended strand (participates in β ladder)trans-150.6155.9-179.947.8-94.5000111.6I257 L259 W274 F286 I308I257-F272 HydrophobicContact CB-CD2 4.02Å; I257-F272 HydrophobicContact CB-CE2 3.6Å; I257-F272 HydrophobicContact CB-CZ 4.07Å; I257-F272 HydrophobicContact CG1-CE2 4.16Å; I257-F272 HydrophobicContact CG2-CE1 4.48Å; I257-F272 HydrophobicContact CG2-CE2 3.67Å; I257-F272 HydrophobicContact CG2-CZ 3.65Å; I257-F272 PolarHBondContact N-O 2.92Å; I257-F272 PolarHBondContact O-N 3.25Å; L259-F272 HydrophobicContact CD1-CE1 3.68Å; L259-F272 HydrophobicContact CD1-CZ 4.13Å; L259-F272 HydrophobicContact CD2-CE1 4.46Å; L259-F272 HydrophobicContact CD2-CZ 4.3Å; L259-F272 HydrophobicContact CG-CE1 3.78Å; L259-F272 HydrophobicContact CG-CZ 4.12Å; F272-W274 HydrophobicContact CD2-CE3 4.26Å; F272-W274 AromaticContact CE2-CE3 3.81Å; F272-W274 HydrophobicContact CE2-CE3 3.81Å; F272-W274 HydrophobicContact CE2-CZ3 4.39Å; F272-F286 HydrophobicContact CD1-CE1 4.27Å; F272-F286 AromaticContact CD1-CZ 3.73Å; F272-F286 HydrophobicContact CD1-CZ 3.73Å; F272-F286 HydrophobicContact CD2-CZ 4.19Å; F272-F286 AromaticContact CE1-CE1 3.5Å; F272-F286 HydrophobicContact CE1-CE1 3.5Å; F272-F286 AromaticContact CE1-CZ 3.44Å; F272-F286 HydrophobicContact CE1-CZ 3.44Å; F272-F286 VanDerWaalsContact CE1-CZ 3.44Å; F272-F286 AromaticContact CE2-CE1 3.94Å; F272-F286 HydrophobicContact CE2-CE1 3.94Å; F272-F286 AromaticContact CE2-CZ 3.93Å; F272-F286 HydrophobicContact CE2-CZ 3.93Å; F272-F286 HydrophobicContact CG-CZ 4.1Å; F272-F286 HydrophobicContact CZ-CD1 4.17Å; F272-F286 AromaticContact CZ-CE1 3.31Å; F272-F286 HydrophobicContact CZ-CE1 3.31Å; F272-F286 AromaticContact CZ-CZ 3.55Å; F272-F286 HydrophobicContact CZ-CZ 3.55Å; F272-I308 HydrophobicContact CE2-CD1 4.47Å; F272-I308 HydrophobicContact CZ-CD1 3.97Å; F272-I308 HydrophobicContact CZ-CG1 4.07Å
273E96.6Very high93.3Very high61 Ų6149.8 Ų49.829%0.28526%0.256SS..EExtended strand (participates in β ladder)trans-80139.5172.7-65.8172.4-150.700109.2R254 V255 L326 R334 W342R254-E273 IonicContact CZ-OE2 2.93Å; R254-E273 IonicContact NH1-OE2 2.82Å; R254-E273 PolarHBondContact NH1-OE2 3.17Å; V255-E273 CarbonylContact O-C 3.54Å; V255-E273 WeakPolarHBondContact O-CA 3.3Å; E273-L326 HydrophobicContact CG-CD1 4.08Å; E273-R334 IonicContact OE1-CZ 3.94Å; E273-R334 IonicContact OE1-NH2 2.66Å; E273-R334 PolarHBondContact OE1-NH2 2.92Å; E273-W342 HydrophobicContact CG-CH2 3.77Å; E273-W342 HydrophobicContact CG-CZ3 3.71Å
274W96.1Very high93.7Very high21 Ų2152 Ų528%0.0827%0.266CS..EExtended strand (participates in β ladder)trans-134.7125.7179.5-172.7-75.1000110.1R254 V255 I257 F272 N281 P283 F286 I308 L312R254-W274 CarbonylContact C-O 3.34Å; R254-W274 VanDerWaalsContact CA-O 3.31Å; R254-W274 WeakPolarHBondContact CA-O 3.39Å; V255-W274 PolarHBondContact N-O 2.77Å; V255-W274 PolarHBondContact O-N 3.46Å; I257-W274 HydrophobicContact CG1-CB 3.63Å; I257-W274 HydrophobicContact CG1-CG 4.28Å; F272-W274 HydrophobicContact CD2-CE3 4.26Å; F272-W274 AromaticContact CE2-CE3 3.81Å; F272-W274 HydrophobicContact CE2-CE3 3.81Å; F272-W274 HydrophobicContact CE2-CZ3 4.39Å; W274-N281 HydrophobicContact CH2-CB 4.47Å; W274-N281 HydrophobicContact CZ2-CB 3.69Å; W274-P283 HydrophobicContact CH2-CG 4.28Å; W274-P283 HydrophobicContact CZ2-CG 4.04Å; W274-F286 HydrophobicContact CH2-CB 4.05Å; W274-F286 HydrophobicContact CZ3-CB 3.83Å; W274-F286 HydrophobicContact CZ3-CD1 4.29Å; W274-F286 HydrophobicContact CZ3-CD2 4.21Å; W274-F286 AromaticContact CZ3-CG 3.85Å; W274-F286 HydrophobicContact CZ3-CG 3.85Å; W274-I308 HydrophobicContact CD2-CG2 4.45Å; W274-I308 HydrophobicContact CE3-CG2 4.36Å; W274-I308 HydrophobicContact CH2-CG2 4.33Å; W274-I308 HydrophobicContact CZ2-CG2 4.41Å; W274-I308 HydrophobicContact CZ3-CG2 4.3Å; W274-L312 VanDerWaalsContact CD1-CD2 3.4Å; W274-L312 HydrophobicContact CG-CD2 4.06Å; W274-L312 HydrophobicContact CZ2-CD1 4.42Å
275D94.1Very high94.2Very high36 Ų3656.1 Ų56.119%0.19327%0.269CS..EExtended strand (participates in β ladder)trans-85.9118.7174.5-163.9-19.1000110.5Q253 R254 S277 E278 N281Q253-D275 PolarHBondContact N-OD1 2.9Å; Q253-D275 VanDerWaalsContact N-OD1 3.17Å; R254-D275 HydrophobicContact CG-CB 3.81Å; D275-S277 VanDerWaalsContact C-N 3.33Å; D275-S277 VanDerWaalsContact CG-OG 3.27Å; D275-S277 WeakPolarHBondContact OD1-CB 3.48Å; D275-S277 PolarHBondContact OD1-N 2.93Å; D275-S277 PolarHBondContact OD1-OG 3.45Å; D275-S277 PolarHBondContact OD2-OG 3.41Å; D275-E278 HydrophobicContact CB-CB 4.34Å; D275-N281 PolarHBondContact O-ND2 3.24Å
276M90.8Very high94.7Very high34 Ų3455.4 Ų55.417%0.16726%0.263CS..SBendtrans-78.5-18.4177.9-57.5-172.8-6500113.1L247 Q253 V255 L312 H315 Y319L247-M276 HydrophobicContact CD1-CE 3.86Å; Q253-M276 HydrophobicContact CB-CB 4.22Å; Q253-M276 HydrophobicContact CB-CE 4.27Å; Q253-M276 PolarHBondContact O-N 3.2Å; Q253-M276 VanDerWaalsContact O-N 3.17Å; V255-M276 HydrophobicContact CG1-CE 3.61Å; V255-M276 HydrophobicContact CG1-SD 4Å; V255-M276 HydrophobicContact CG2-CG 3.95Å; V255-M276 HydrophobicContact CG2-SD 4Å; M276-L312 HydrophobicContact CG-CD2 3.77Å; M276-L312 HydrophobicContact SD-CD2 4.32Å; M276-H315 HydrophobicContact CE-CB 4.24Å; M276-H315 HydrophobicContact SD-CB 3.5Å; M276-H315 WeakPolarHBondContact SD-CB 3.33Å; M276-Y319 HydrophobicContact CE-CD2 3.42Å; M276-Y319 VanDerWaalsContact CE-CD2 3.42Å; M276-Y319 HydrophobicContact CE-CE2 3.94Å; M276-Y319 HydrophobicContact CE-CG 3.78Å
277S89.4Confident94.9Very high37 Ų3753 Ų5326%0.25925%0.251SS..SBendtrans-82.6-24-178.165.20000113.3Q250 D275 R279Q250-S277 WeakPolarHBondContact O-CB 3.37Å; D275-S277 VanDerWaalsContact C-N 3.33Å; D275-S277 VanDerWaalsContact CG-OG 3.27Å; D275-S277 WeakPolarHBondContact OD1-CB 3.48Å; D275-S277 PolarHBondContact OD1-N 2.93Å; D275-S277 PolarHBondContact OD1-OG 3.45Å; D275-S277 PolarHBondContact OD2-OG 3.41Å; S277-R279 PolarHBondContact O-N 2.87Å
278E91.8Very high95.2Very high96 Ų9658.4 Ų58.445%0.44928%0.279SS..  trans-77.7115.9-179.1179.354.6-100.800111D275 E280 N281D275-E278 HydrophobicContact CB-CB 4.34Å; E278-E280 VanDerWaalsContact C-N 3.32Å; E278-E280 PolarHBondContact O-N 2.9Å; E278-E280 PolarHBondContact OE1-N 3.24Å; E278-N281 HydrophobicContact CB-CB 4.46Å; E278-N281 WeakPolarHBondContact CB-ND2 2.86Å; E278-N281 HydrophobicContact CG-CB 4.45Å; E278-N281 WeakPolarHBondContact O-CB 3.38Å; E278-N281 PolarHBondContact O-N 2.97Å
279R88.9Confident95.4Very high202 Ų20263.8 Ų63.876%0.76230%0.302SS*.THydrogen-bonded Turntrans-73.8-24.6-172.8-64.7-175.6-179.7-170-0.8113S277 N281S277-R279 PolarHBondContact O-N 2.87Å; R279-N281 VanDerWaalsContact C-N 3.27Å
280E92.4Very high95.5Very high143 Ų14361.9 Ų61.967%0.66829%0.29SS*.THydrogen-bonded Turntrans-79.8-10.6178.3-67-61.1143.500113.1E278 S282E278-E280 VanDerWaalsContact C-N 3.32Å; E278-E280 PolarHBondContact O-N 2.9Å; E278-E280 PolarHBondContact OE1-N 3.24Å; E280-S282 PolarHBondContact O-N 2.93Å; E280-S282 VanDerWaalsContact O-N 3.13Å
281N95.5Very high95.6Very high67 Ų6761.4 Ų61.436%0.35829%0.288SS..  trans-68.9109176.7-76.8-8.9000110.7W274 D275 E278 R279W274-N281 HydrophobicContact CH2-CB 4.47Å; W274-N281 HydrophobicContact CZ2-CB 3.69Å; D275-N281 PolarHBondContact O-ND2 3.24Å; E278-N281 HydrophobicContact CB-CB 4.46Å; E278-N281 WeakPolarHBondContact CB-ND2 2.86Å; E278-N281 HydrophobicContact CG-CB 4.45Å; E278-N281 WeakPolarHBondContact O-CB 3.38Å; E278-N281 PolarHBondContact O-N 2.97Å; R279-N281 VanDerWaalsContact C-N 3.27Å
282S97.1Very high95.7Very high31 Ų3163.4 Ų63.422%0.21731%0.306CS..  trans-112.6118.8179.7165.40000111.3E280 E284 K285 F286E280-S282 PolarHBondContact O-N 2.93Å; E280-S282 VanDerWaalsContact O-N 3.13Å; S282-E284 PolarHBondContact O-N 3.17Å; S282-E284 PolarHBondContact OG-N 3.14Å; S282-E284 PolarHBondContact OG-OE2 3.08Å; S282-K285 PolarHBondContact O-N 2.87Å; S282-K285 PolarHBondContact OG-N 2.98Å; S282-F286 PolarHBondContact O-N 2.78Å; S282-F286 VanDerWaalsContact O-N 3.08Å
283P97.7Very high95.7Very high6 Ų668.3 Ų68.34%0.03933%0.329CS..Hα-helixtrans-54-38.3173.3-30.138.4000113.4W274 A287 I308 R309 L312W274-P283 HydrophobicContact CH2-CG 4.28Å; W274-P283 HydrophobicContact CZ2-CG 4.04Å; P283-A287 VanDerWaalsContact O-CB 3.22Å; P283-A287 WeakPolarHBondContact O-CB 3.31Å; P283-A287 PolarHBondContact O-N 2.85Å; P283-I308 HydrophobicContact CB-CB 4.08Å; P283-I308 HydrophobicContact CB-CG2 3.87Å; P283-I308 HydrophobicContact CG-CG2 3.88Å; P283-R309 HydrophobicContact CB-CG 4.04Å; P283-R309 HydrophobicContact CG-CG 3.85Å; P283-L312 HydrophobicContact CG-CD1 4.07Å
284E97.5Very high95.7Very high59 Ų5967.9 Ų67.928%0.27633%0.328SS..Hα-helixtrans-68.1-45179.8-66.771-155.300112.2S282 F286 A287 L288 A305 R309S282-E284 PolarHBondContact O-N 3.17Å; S282-E284 PolarHBondContact OG-N 3.14Å; S282-E284 PolarHBondContact OG-OE2 3.08Å; E284-F286 VanDerWaalsContact C-N 3.33Å; E284-F286 PolarHBondContact O-N 2.92Å; E284-A287 PolarHBondContact O-N 3.36Å; E284-L288 WeakPolarHBondContact O-CB 3.39Å; E284-L288 PolarHBondContact O-N 3.07Å; E284-A305 HydrophobicContact CG-CB 4.31Å; E284-R309 VanDerWaalsContact CD-NH2 3.29Å; E284-R309 IonicContact OE1-CZ 3.84Å; E284-R309 VanDerWaalsContact OE1-CZ 3.28Å; E284-R309 IonicContact OE1-NE 3.88Å; E284-R309 PolarHBondContact OE1-NE 3.44Å; E284-R309 IonicContact OE1-NH2 2.73Å; E284-R309 PolarHBondContact OE1-NH2 2.82Å; E284-R309 IonicContact OE2-CZ 3.4Å; E284-R309 IonicContact OE2-NE 2.7Å; E284-R309 IonicContact OE2-NH2 3.2Å; E284-R309 PolarHBondContact OE2-NH2 3.13Å
285K98.1Very high95.7Very high136 Ų13670.2 Ų70.259%0.59136%0.359SS*.Hα-helixtrans-62.4-43.4176.9-69.7-178.4-172.2166.80110.8S282 K289S282-K285 PolarHBondContact O-N 2.87Å; S282-K285 PolarHBondContact OG-N 2.98Å; K285-K289 WeakPolarHBondContact O-CB 3.44Å; K285-K289 PolarHBondContact O-N 3.4Å
286F98.3Very high95.7Very high59 Ų5969.6 Ų69.626%0.25936%0.356SS..Hα-helixtrans-63-49.3176.2175.5-91000111.7F272 W274 S282 E284 L288 K289 L290 I308F272-F286 HydrophobicContact CD1-CE1 4.27Å; F272-F286 AromaticContact CD1-CZ 3.73Å; F272-F286 HydrophobicContact CD1-CZ 3.73Å; F272-F286 HydrophobicContact CD2-CZ 4.19Å; F272-F286 AromaticContact CE1-CE1 3.5Å; F272-F286 HydrophobicContact CE1-CE1 3.5Å; F272-F286 AromaticContact CE1-CZ 3.44Å; F272-F286 HydrophobicContact CE1-CZ 3.44Å; F272-F286 VanDerWaalsContact CE1-CZ 3.44Å; F272-F286 AromaticContact CE2-CE1 3.94Å; F272-F286 HydrophobicContact CE2-CE1 3.94Å; F272-F286 AromaticContact CE2-CZ 3.93Å; F272-F286 HydrophobicContact CE2-CZ 3.93Å; F272-F286 HydrophobicContact CG-CZ 4.1Å; F272-F286 HydrophobicContact CZ-CD1 4.17Å; F272-F286 AromaticContact CZ-CE1 3.31Å; F272-F286 HydrophobicContact CZ-CE1 3.31Å; F272-F286 AromaticContact CZ-CZ 3.55Å; F272-F286 HydrophobicContact CZ-CZ 3.55Å; W274-F286 HydrophobicContact CH2-CB 4.05Å; W274-F286 HydrophobicContact CZ3-CB 3.83Å; W274-F286 HydrophobicContact CZ3-CD1 4.29Å; W274-F286 HydrophobicContact CZ3-CD2 4.21Å; W274-F286 AromaticContact CZ3-CG 3.85Å; W274-F286 HydrophobicContact CZ3-CG 3.85Å; S282-F286 PolarHBondContact O-N 2.78Å; S282-F286 VanDerWaalsContact O-N 3.08Å; E284-F286 VanDerWaalsContact C-N 3.33Å; E284-F286 PolarHBondContact O-N 2.92Å; F286-L288 VanDerWaalsContact C-N 3.33Å; F286-L288 PolarHBondContact O-N 2.63Å; F286-K289 PolarHBondContact O-N 3.16Å; F286-K289 VanDerWaalsContact O-N 3.14Å; F286-L290 HydrophobicContact CE1-CB 4.35Å; F286-L290 HydrophobicContact CE1-CD2 3.82Å; F286-L290 HydrophobicContact CZ-CD2 4.12Å; F286-L290 WeakPolarHBondContact O-CB 3.46Å; F286-L290 PolarHBondContact O-N 3.4Å; F286-I308 HydrophobicContact CD1-CD1 3.43Å; F286-I308 VanDerWaalsContact CD1-CD1 3.43Å; F286-I308 HydrophobicContact CE1-CD1 3.86Å; F286-I308 HydrophobicContact CG-CD1 4.43Å
287A97.8Very high95.6Very high0 Ų070 Ų700%037%0.369CS..Hα-helixtrans-58.9-43.9179.700000112.1P283 E284 K289 C291 V301 I304 A305P283-A287 VanDerWaalsContact O-CB 3.22Å; P283-A287 WeakPolarHBondContact O-CB 3.31Å; P283-A287 PolarHBondContact O-N 2.85Å; E284-A287 PolarHBondContact O-N 3.36Å; A287-K289 VanDerWaalsContact C-N 3.34Å; A287-K289 PolarHBondContact O-N 2.92Å; A287-C291 WeakPolarHBondContact O-CB 3.25Å; A287-C291 PolarHBondContact O-N 3.4Å; A287-C291 PolarHBondContact O-SG 3.09Å; A287-V301 HydrophobicContact CB-CG1 4.42Å; A287-V301 WeakPolarHBondContact CB-O 3.41Å; A287-I304 HydrophobicContact CB-CB 3.88Å; A287-I304 HydrophobicContact CB-CG2 3.64Å; A287-A305 HydrophobicContact CB-CB 4.04Å
288L97.9Very high95.5Very high112 Ų11271.2 Ų71.259%0.58639%0.386SS*.Hα-helixtrans-61.6-43.7176.3-176.665.6000111.4E284 F286 S292 V301E284-L288 WeakPolarHBondContact O-CB 3.39Å; E284-L288 PolarHBondContact O-N 3.07Å; F286-L288 VanDerWaalsContact C-N 3.33Å; F286-L288 PolarHBondContact O-N 2.63Å; L288-S292 WeakPolarHBondContact O-CB 3.42Å; L288-S292 PolarHBondContact O-N 3.32Å; L288-V301 HydrophobicContact CB-CG1 4.5Å; L288-V301 HydrophobicContact CD1-CG1 4.43Å
289K98.4Very high95.4Very high113 Ų11370.2 Ų70.249%0.49138%0.382SS..Hα-helixtrans-65.5-49.1179.4-175.556.6173.8142.70111.5K285 F286 A287 C291 S292 E293K285-K289 WeakPolarHBondContact O-CB 3.44Å; K285-K289 PolarHBondContact O-N 3.4Å; F286-K289 PolarHBondContact O-N 3.16Å; F286-K289 VanDerWaalsContact O-N 3.14Å; A287-K289 VanDerWaalsContact C-N 3.34Å; A287-K289 PolarHBondContact O-N 2.92Å; K289-C291 PolarHBondContact O-N 3.48Å; K289-S292 PolarHBondContact O-N 3.07Å; K289-S292 VanDerWaalsContact O-N 3.14Å; K289-S292 PolarHBondContact O-OG 2.63Å; K289-E293 HydrophobicContact CD-CG 4.43Å; K289-E293 WeakPolarHBondContact CE-OE1 3.48Å; K289-E293 IonicContact NZ-OE1 3.17Å; K289-E293 PolarHBondContact NZ-OE1 3.45Å; K289-E293 WeakPolarHBondContact O-CG 3.34Å; K289-E293 PolarHBondContact O-N 3.46Å
290L97.9Very high95.6Very high14 Ų1461 Ų617%0.07335%0.347CS..Hα-helixtrans-58.5-47.3178-177.361.9000111.4L259 F286 S292 E293 L294 I304 P344L259-L290 HydrophobicContact CD1-CD2 3.94Å; F286-L290 HydrophobicContact CE1-CB 4.35Å; F286-L290 HydrophobicContact CE1-CD2 3.82Å; F286-L290 HydrophobicContact CZ-CD2 4.12Å; F286-L290 WeakPolarHBondContact O-CB 3.46Å; F286-L290 PolarHBondContact O-N 3.4Å; L290-S292 VanDerWaalsContact C-N 3.33Å; L290-S292 PolarHBondContact O-N 2.92Å; L290-E293 PolarHBondContact O-N 2.63Å; L290-L294 HydrophobicContact CD1-CD1 3.75Å; L290-L294 HydrophobicContact CD1-CG 4.16Å; L290-L294 HydrophobicContact CG-CD1 3.94Å; L290-L294 WeakPolarHBondContact O-CB 3.41Å; L290-L294 WeakPolarHBondContact O-CG 3.35Å; L290-L294 PolarHBondContact O-N 2.97Å; L290-I304 HydrophobicContact CD2-CD1 4.27Å; L290-P344 HydrophobicContact CD1-CG 4.49Å
291C97.4Very high95.8Very high2 Ų256 Ų561%0.01433%0.326CS..Hα-helixtrans-61.3-40.4175.7-77.40000112.5A287 K289 E293 L294 G295 L296 V301 I304A287-C291 WeakPolarHBondContact O-CB 3.25Å; A287-C291 PolarHBondContact O-N 3.4Å; A287-C291 PolarHBondContact O-SG 3.09Å; K289-C291 PolarHBondContact O-N 3.48Å; C291-E293 VanDerWaalsContact C-N 3.3Å; C291-E293 PolarHBondContact O-N 3.28Å; C291-L294 PolarHBondContact O-N 3.2Å; C291-G295 PolarHBondContact O-N 3.24Å; C291-L296 HydrophobicContact CB-CB 4.21Å; C291-L296 PolarHBondContact O-N 3.17Å; C291-V301 HydrophobicContact CB-CG2 3.71Å; C291-V301 VanDerWaalsContact SG-CG2 3.59Å; C291-I304 VanDerWaalsContact SG-CD1 3.5Å
292S97.8Very high95.7Very high78 Ų7856.5 Ų56.555%0.54533%0.332SS..Hα-helixtrans-63.8-35.217876.30000113L288 K289 L290L288-S292 WeakPolarHBondContact O-CB 3.42Å; L288-S292 PolarHBondContact O-N 3.32Å; K289-S292 PolarHBondContact O-N 3.07Å; K289-S292 VanDerWaalsContact O-N 3.14Å; K289-S292 PolarHBondContact O-OG 2.63Å; L290-S292 VanDerWaalsContact C-N 3.33Å; L290-S292 PolarHBondContact O-N 2.92Å
293E97.9Very high95.5Very high128 Ų12855.2 Ų55.260%0.59832%0.323SS*.Hα-helixtrans-78.3-34.2179.8-70.4-178.5163.400112.3K289 L290 C291K289-E293 HydrophobicContact CD-CG 4.43Å; K289-E293 WeakPolarHBondContact CE-OE1 3.48Å; K289-E293 IonicContact NZ-OE1 3.17Å; K289-E293 PolarHBondContact NZ-OE1 3.45Å; K289-E293 WeakPolarHBondContact O-CG 3.34Å; K289-E293 PolarHBondContact O-N 3.46Å; L290-E293 PolarHBondContact O-N 2.63Å; C291-E293 VanDerWaalsContact C-N 3.3Å; C291-E293 PolarHBondContact O-N 3.28Å
294L96.8Very high95.4Very high51 Ų5155 Ų5527%0.26732%0.321SS..Hα-helixtrans-86.6-6.9178.5-65.1-179.6000113.9L268 L290 C291 L296 P344 L346L268-L294 HydrophobicContact CD1-CD1 4.01Å; L290-L294 HydrophobicContact CD1-CD1 3.75Å; L290-L294 HydrophobicContact CD1-CG 4.16Å; L290-L294 HydrophobicContact CG-CD1 3.94Å; L290-L294 WeakPolarHBondContact O-CB 3.41Å; L290-L294 WeakPolarHBondContact O-CG 3.35Å; L290-L294 PolarHBondContact O-N 2.97Å; C291-L294 PolarHBondContact O-N 3.2Å; L294-L296 VanDerWaalsContact C-N 3.31Å; L294-L296 HydrophobicContact CB-CD1 3.93Å; L294-L296 HydrophobicContact CB-CG 3.83Å; L294-L296 HydrophobicContact CD1-CD1 3.96Å; L294-P344 HydrophobicContact CD1-CB 3.97Å; L294-P344 HydrophobicContact CD1-CG 4.28Å; L294-P344 HydrophobicContact CD2-CB 4.35Å; L294-P344 HydrophobicContact CD2-CG 3.94Å; L294-L346 HydrophobicContact CB-CD1 3.98Å; L294-L346 HydrophobicContact CD1-CD1 4.13Å; L294-L346 HydrophobicContact CD2-CD1 4.19Å; L294-L346 HydrophobicContact CG-CD1 4.33Å
295G95.5Very high95.4Very high70 Ų7052.4 Ų52.472%0.72231%0.31SS*.THydrogen-bonded Turntrans68.828.5-175.400000113.5C291C291-G295 PolarHBondContact O-N 3.24Å
296L94.2Very high95.3Very high24 Ų2445.9 Ų45.913%0.12628%0.282CS..  trans-93.4150.2177.6-57174000110.7L268 C291 L294 F300 L346L268-L296 HydrophobicContact CD2-CD1 4.24Å; C291-L296 HydrophobicContact CB-CB 4.21Å; C291-L296 PolarHBondContact O-N 3.17Å; L294-L296 VanDerWaalsContact C-N 3.31Å; L294-L296 HydrophobicContact CB-CD1 3.93Å; L294-L296 HydrophobicContact CB-CG 3.83Å; L294-L296 HydrophobicContact CD1-CD1 3.96Å; L296-F300 HydrophobicContact CB-CB 4.18Å; L296-F300 HydrophobicContact CB-CD2 4.18Å; L296-F300 HydrophobicContact CB-CG 4.18Å; L296-F300 HydrophobicContact CD1-CD1 4.07Å; L296-F300 HydrophobicContact CD1-CE1 4.32Å; L296-F300 HydrophobicContact CD1-CG 4.2Å; L296-F300 HydrophobicContact CD2-CD2 4.31Å; L296-F300 HydrophobicContact CD2-CE2 4.12Å; L296-F300 HydrophobicContact CD2-CZ 4.39Å; L296-L346 HydrophobicContact CD1-CD1 4.27Å; L296-L346 HydrophobicContact CD1-CD2 3.96Å; L296-L346 HydrophobicContact CD2-CD1 4.07Å; L296-L346 HydrophobicContact CD2-CD2 4.12Å; L296-L346 HydrophobicContact CG-CD1 4.35Å
297G88.9Confident95.1Very high43 Ų4343.3 Ų43.344%0.44327%0.271SS..  trans-147-168.7177.700000111.8
298G88.6Confident95Very high61 Ų6143.3 Ų43.363%0.62927%0.271SS*.THydrogen-bonded Turntrans65.5-138.9-178.200000112.2F300G298-F300 PolarHBondContact O-N 3.32Å
299E88.9Confident94.8Very high76 Ų7639.9 Ų39.936%0.35525%0.25SS..Hα-helixtrans-68.7-14.4-175.762.8-93.5-128.900113.9V263 V301 T302 T303V263-E299 HydrophobicContact CB-CG 4.12Å; V263-E299 HydrophobicContact CG1-CG 3.43Å; V263-E299 VanDerWaalsContact CG1-CG 3.43Å; V263-E299 WeakPolarHBondContact CG1-OE1 3.34Å; V263-E299 HydrophobicContact CG2-CG 3.58Å; E299-V301 VanDerWaalsContact C-N 3.27Å; E299-V301 PolarHBondContact O-N 3.46Å; E299-T302 PolarHBondContact O-N 2.68Å; E299-T302 PolarHBondContact O-OG1 2.98Å; E299-T303 VanDerWaalsContact O-CB 3.24Å; E299-T303 WeakPolarHBondContact O-CB 3.44Å; E299-T303 PolarHBondContact O-N 3.03Å; E299-T303 PolarHBondContact O-OG1 3.42Å
300F93.1Very high94.4Very high7 Ų734.5 Ų34.53%0.03123%0.227CC..Hα-helixtrans-53.6-44.4176.9-88.3-73.4000112.5I261 V263 I266 L268 L296 G298 T302 T303 I304I261-F300 HydrophobicContact CG2-CD1 3.98Å; I261-F300 HydrophobicContact CG2-CE1 4Å; V263-F300 HydrophobicContact CB-CD1 4.32Å; V263-F300 HydrophobicContact CB-CD2 3.88Å; V263-F300 HydrophobicContact CB-CE1 3.94Å; V263-F300 HydrophobicContact CB-CE2 3.47Å; V263-F300 VanDerWaalsContact CB-CE2 3.47Å; V263-F300 HydrophobicContact CB-CG 4.29Å; V263-F300 HydrophobicContact CB-CZ 3.51Å; V263-F300 HydrophobicContact CG1-CD2 3.77Å; V263-F300 HydrophobicContact CG1-CE2 3.58Å; V263-F300 HydrophobicContact CG1-CG 4.5Å; V263-F300 HydrophobicContact CG1-CZ 4.16Å; V263-F300 HydrophobicContact CG2-CD1 4Å; V263-F300 HydrophobicContact CG2-CD2 4.16Å; V263-F300 HydrophobicContact CG2-CE1 3.98Å; V263-F300 HydrophobicContact CG2-CE2 4.16Å; V263-F300 HydrophobicContact CG2-CG 4.09Å; V263-F300 HydrophobicContact CG2-CZ 4.08Å; I266-F300 HydrophobicContact CB-CE2 4.15Å; I266-F300 HydrophobicContact CB-CZ 3.76Å; I266-F300 HydrophobicContact CD1-CE2 4.49Å; I266-F300 HydrophobicContact CG2-CE2 4.2Å; I266-F300 HydrophobicContact CG2-CZ 3.6Å; L268-F300 HydrophobicContact CB-CE1 3.97Å; L268-F300 HydrophobicContact CD2-CD1 4.45Å; L296-F300 HydrophobicContact CB-CB 4.18Å; L296-F300 HydrophobicContact CB-CD2 4.18Å; L296-F300 HydrophobicContact CB-CG 4.18Å; L296-F300 HydrophobicContact CD1-CD1 4.07Å; L296-F300 HydrophobicContact CD1-CE1 4.32Å; L296-F300 HydrophobicContact CD1-CG 4.2Å; L296-F300 HydrophobicContact CD2-CD2 4.31Å; L296-F300 HydrophobicContact CD2-CE2 4.12Å; L296-F300 HydrophobicContact CD2-CZ 4.39Å; G298-F300 PolarHBondContact O-N 3.32Å; F300-T302 PolarHBondContact O-N 3.43Å; F300-T303 PolarHBondContact O-N 2.89Å; F300-I304 WeakPolarHBondContact O-CB 3.47Å; F300-I304 WeakPolarHBondContact O-CD1 3.18Å; F300-I304 WeakPolarHBondContact O-CG1 3.32Å; F300-I304 PolarHBondContact O-N 3.44Å
301V95.6Very high94Very high38 Ų3834.4 Ų34.423%0.2323%0.226CC..Hα-helixtrans-61.8-46.4-177-176.70000110.8A287 L288 C291 E299 A305A287-V301 HydrophobicContact CB-CG1 4.42Å; A287-V301 WeakPolarHBondContact CB-O 3.41Å; L288-V301 HydrophobicContact CB-CG1 4.5Å; L288-V301 HydrophobicContact CD1-CG1 4.43Å; C291-V301 HydrophobicContact CB-CG2 3.71Å; C291-V301 VanDerWaalsContact SG-CG2 3.59Å; E299-V301 VanDerWaalsContact C-N 3.27Å; E299-V301 PolarHBondContact O-N 3.46Å; V301-A305 PolarHBondContact O-N 3.13Å
302T94.5Very high93.7Very high79 Ų7935.3 Ų35.349%0.48523%0.231SC..Hα-helixtrans-71.5-40.3-178.848.40000111.4E299 F300 A305 Y306E299-T302 PolarHBondContact O-N 2.68Å; E299-T302 PolarHBondContact O-OG1 2.98Å; F300-T302 PolarHBondContact O-N 3.43Å; T302-A305 PolarHBondContact O-N 3.24Å; T302-Y306 WeakPolarHBondContact O-CB 3.45Å; T302-Y306 PolarHBondContact O-N 3.24Å
303T92.9Very high93.2Very high4 Ų431.8 Ų31.83%0.02521%0.206CC..Hα-helixtrans-67.8-38.3-179.7-62.20000112.6V136 I261 E299 F300 S307V136-T303 HydrophobicContact CB-CG2 3.36Å; V136-T303 HydrophobicContact CG1-CG2 3.49Å; V136-T303 VanDerWaalsContact CG1-CG2 3.49Å; V136-T303 HydrophobicContact CG2-CG2 3.71Å; I261-T303 HydrophobicContact CB-CG2 4.35Å; I261-T303 HydrophobicContact CD1-CG2 4.12Å; I261-T303 HydrophobicContact CG1-CG2 4.01Å; I261-T303 HydrophobicContact CG2-CG2 3.49Å; I261-T303 VanDerWaalsContact CG2-CG2 3.49Å; E299-T303 VanDerWaalsContact O-CB 3.24Å; E299-T303 WeakPolarHBondContact O-CB 3.44Å; E299-T303 PolarHBondContact O-N 3.03Å; E299-T303 PolarHBondContact O-OG1 3.42Å; F300-T303 PolarHBondContact O-N 2.89Å; T303-S307 WeakPolarHBondContact O-CB 3.33Å; T303-S307 PolarHBondContact O-N 3.4Å
304I96.2Very high92.6Very high0 Ų029.4 Ų29.40%019%0.192CC..Hα-helixtrans-62.7-50.4173.3-68.5161.9000110L259 I261 L268 A287 L290 C291 F300 Y306 S307 I308L259-I304 HydrophobicContact CD1-CG1 4.31Å; L259-I304 HydrophobicContact CD1-CG2 3.81Å; L259-I304 HydrophobicContact CD2-CG2 4.49Å; I261-I304 HydrophobicContact CD1-CB 4.05Å; I261-I304 HydrophobicContact CD1-CG1 3.36Å; L268-I304 HydrophobicContact CD2-CD1 3.75Å; L268-I304 HydrophobicContact CD2-CG1 4.09Å; A287-I304 HydrophobicContact CB-CB 3.88Å; A287-I304 HydrophobicContact CB-CG2 3.64Å; L290-I304 HydrophobicContact CD2-CD1 4.27Å; C291-I304 VanDerWaalsContact SG-CD1 3.5Å; F300-I304 WeakPolarHBondContact O-CB 3.47Å; F300-I304 WeakPolarHBondContact O-CD1 3.18Å; F300-I304 WeakPolarHBondContact O-CG1 3.32Å; F300-I304 PolarHBondContact O-N 3.44Å; I304-Y306 VanDerWaalsContact C-N 3.34Å; I304-Y306 PolarHBondContact O-N 3.15Å; I304-S307 PolarHBondContact O-N 2.65Å; I304-S307 VanDerWaalsContact O-N 3.15Å; I304-I308 HydrophobicContact CG2-CD1 3.72Å; I304-I308 HydrophobicContact CG2-CG1 4.37Å; I304-I308 VanDerWaalsContact O-CG1 3.3Å; I304-I308 WeakPolarHBondContact O-CG1 3.38Å; I304-I308 PolarHBondContact O-N 2.82Å
305A96.9Very high92Very high5 Ų528.4 Ų28.44%0.04119%0.186CC..Hα-helixtrans-58.6-45.2179.100000111.9E284 A287 V301 T302 S307 I308 R309E284-A305 HydrophobicContact CG-CB 4.31Å; A287-A305 HydrophobicContact CB-CB 4.04Å; V301-A305 PolarHBondContact O-N 3.13Å; T302-A305 PolarHBondContact O-N 3.24Å; A305-S307 PolarHBondContact O-N 3.25Å; A305-I308 PolarHBondContact O-N 3.03Å; A305-R309 WeakPolarHBondContact O-CG 3.44Å; A305-R309 PolarHBondContact O-N 3.31Å
306Y95.3Very high91.4Very high0 Ų028 Ų280%017%0.165CC..Hα-helixtrans-57.5-47.7173.8161.6-91.6000112.1H132 V136 P179 I180 R181 A194 F195 T302 I304 I308 R309 G310H132-Y306 AromaticContact CE1-CE2 3.75Å; H132-Y306 AromaticContact CE1-CZ 3.93Å; H132-Y306 PolarHBondContact CE1-OH 3.4Å; H132-Y306 AromaticContact ND1-CE2 3.55Å; H132-Y306 AromaticContact ND1-CZ 3.36Å; H132-Y306 PolarHBondContact ND1-OH 3.34Å; V136-Y306 HydrophobicContact CG1-CD1 4.03Å; V136-Y306 HydrophobicContact CG1-CE1 4.03Å; V136-Y306 HydrophobicContact CG2-CD1 3.79Å; V136-Y306 HydrophobicContact CG2-CE1 3.77Å; P179-Y306 HydrophobicContact CB-CD2 3.66Å; P179-Y306 HydrophobicContact CB-CE2 3.77Å; I180-Y306 WeakPolarHBondContact O-CE2 3.18Å; R181-Y306 HydrophobicContact CB-CE2 4.18Å; R181-Y306 VanDerWaalsContact CB-OH 3.3Å; R181-Y306 WeakPolarHBondContact CB-OH 3.49Å; R181-Y306 WeakPolarHBondContact CD-OH 3.5Å; A194-Y306 HydrophobicContact CB-CD1 3.73Å; A194-Y306 HydrophobicContact CB-CD2 4.09Å; A194-Y306 HydrophobicContact CB-CE1 3.92Å; A194-Y306 HydrophobicContact CB-CE2 4.26Å; A194-Y306 HydrophobicContact CB-CG 3.84Å; F195-Y306 WeakPolarHBondContact O-CD2 3.31Å; T302-Y306 WeakPolarHBondContact O-CB 3.45Å; T302-Y306 PolarHBondContact O-N 3.24Å; I304-Y306 VanDerWaalsContact C-N 3.34Å; I304-Y306 PolarHBondContact O-N 3.15Å; Y306-I308 PolarHBondContact O-N 2.76Å; Y306-R309 PolarHBondContact O-N 3.14Å; Y306-G310 PolarHBondContact O-N 3.22Å
307S94.5Very high90.7Very high4 Ų429.2 Ų29.23%0.02817%0.168CC..Hα-helixtrans-62.9-42.4-177.8-176.60000111.7T303 I304 A305 G310 Q311T303-S307 WeakPolarHBondContact O-CB 3.33Å; T303-S307 PolarHBondContact O-N 3.4Å; I304-S307 PolarHBondContact O-N 2.65Å; I304-S307 VanDerWaalsContact O-N 3.15Å; A305-S307 PolarHBondContact O-N 3.25Å; S307-G310 PolarHBondContact O-N 3.18Å; S307-Q311 WeakPolarHBondContact O-CG 3.46Å; S307-Q311 PolarHBondContact O-N 3.39Å; S307-Q311 PolarHBondContact O-NE2 3.12Å; S307-Q311 PolarHBondContact OG-NE2 2.97Å
308I95.9Very high90.2Very high0 Ų028.4 Ų28.40%015%0.154CC..Hα-helixtrans-62.1-53175.7-63.3168000109.7I257 L259 F272 W274 P283 F286 I304 A305 Y306 G310 Q311 L312I257-I308 HydrophobicContact CG2-CG1 4.12Å; L259-I308 HydrophobicContact CD2-CG1 3.94Å; F272-I308 HydrophobicContact CE2-CD1 4.47Å; F272-I308 HydrophobicContact CZ-CD1 3.97Å; F272-I308 HydrophobicContact CZ-CG1 4.07Å; W274-I308 HydrophobicContact CD2-CG2 4.45Å; W274-I308 HydrophobicContact CE3-CG2 4.36Å; W274-I308 HydrophobicContact CH2-CG2 4.33Å; W274-I308 HydrophobicContact CZ2-CG2 4.41Å; W274-I308 HydrophobicContact CZ3-CG2 4.3Å; P283-I308 HydrophobicContact CB-CB 4.08Å; P283-I308 HydrophobicContact CB-CG2 3.87Å; P283-I308 HydrophobicContact CG-CG2 3.88Å; F286-I308 HydrophobicContact CD1-CD1 3.43Å; F286-I308 VanDerWaalsContact CD1-CD1 3.43Å; F286-I308 HydrophobicContact CE1-CD1 3.86Å; F286-I308 HydrophobicContact CG-CD1 4.43Å; I304-I308 HydrophobicContact CG2-CD1 3.72Å; I304-I308 HydrophobicContact CG2-CG1 4.37Å; I304-I308 VanDerWaalsContact O-CG1 3.3Å; I304-I308 WeakPolarHBondContact O-CG1 3.38Å; I304-I308 PolarHBondContact O-N 2.82Å; A305-I308 PolarHBondContact O-N 3.03Å; Y306-I308 PolarHBondContact O-N 2.76Å; I308-G310 VanDerWaalsContact C-N 3.28Å; I308-G310 PolarHBondContact O-N 3.47Å; I308-Q311 PolarHBondContact O-N 2.88Å; I308-Q311 VanDerWaalsContact O-N 3.14Å; I308-L312 HydrophobicContact CG2-CD1 3.76Å; I308-L312 HydrophobicContact CG2-CG 4.19Å; I308-L312 VanDerWaalsContact O-CG 3.28Å; I308-L312 WeakPolarHBondContact O-CG 3.48Å; I308-L312 PolarHBondContact O-N 2.82Å
309R94.1Very high89.6Confident41 Ų4127 Ų2716%0.15513%0.13CC..Hα-helixtrans-56.8-41.7179.6-77-173.1174.6-72.4-13.7113L177 P179 P283 E284 A305 Y306 L312 S313L177-R309 VanDerWaalsContact CB-CZ 3.43Å; L177-R309 PolarHBondContact O-NH1 3.49Å; P179-R309 HydrophobicContact CB-CB 3.93Å; P179-R309 HydrophobicContact CG-CB 4.03Å; P283-R309 HydrophobicContact CB-CG 4.04Å; P283-R309 HydrophobicContact CG-CG 3.85Å; E284-R309 VanDerWaalsContact CD-NH2 3.29Å; E284-R309 IonicContact OE1-CZ 3.84Å; E284-R309 VanDerWaalsContact OE1-CZ 3.28Å; E284-R309 IonicContact OE1-NE 3.88Å; E284-R309 PolarHBondContact OE1-NE 3.44Å; E284-R309 IonicContact OE1-NH2 2.73Å; E284-R309 PolarHBondContact OE1-NH2 2.82Å; E284-R309 IonicContact OE2-CZ 3.4Å; E284-R309 IonicContact OE2-NE 2.7Å; E284-R309 IonicContact OE2-NH2 3.2Å; E284-R309 PolarHBondContact OE2-NH2 3.13Å; A305-R309 WeakPolarHBondContact O-CG 3.44Å; A305-R309 PolarHBondContact O-N 3.31Å; Y306-R309 PolarHBondContact O-N 3.14Å; R309-L312 PolarHBondContact O-N 2.9Å; R309-S313 PolarHBondContact O-N 3.43Å
310G89.5Confident88.6Confident0 Ų026.7 Ų26.70%014%0.14CC..Hα-helixtrans-66.5-38.3179.100000113.1H132 Y306 S307 I308 S313 W314H132-G310 VanDerWaalsContact CB-C 3.45Å; H132-G310 VanDerWaalsContact CB-CA 3.44Å; H132-G310 WeakPolarHBondContact CB-O 3.24Å; H132-G310 VanDerWaalsContact CG-CA 3.48Å; Y306-G310 PolarHBondContact O-N 3.22Å; S307-G310 PolarHBondContact O-N 3.18Å; I308-G310 VanDerWaalsContact C-N 3.28Å; I308-G310 PolarHBondContact O-N 3.47Å; G310-S313 PolarHBondContact O-OG 3.18Å; G310-S313 VanDerWaalsContact O-OG 3.07Å; G310-W314 PolarHBondContact O-N 2.9Å
311Q90.4Very high87.6Confident11 Ų1134.5 Ų34.55%0.05118%0.175CC..Hα-helixtrans-67.9-41.9171.8-74179.173.600111.6L133 I257 K258 S307 I308 S313 W314 H315L133-Q311 HydrophobicContact CD2-CB 4.33Å; L133-Q311 HydrophobicContact CD2-CG 3.65Å; I257-Q311 HydrophobicContact CD1-CB 3.57Å; K258-Q311 PolarHBondContact O-NE2 3.27Å; K258-Q311 PolarHBondContact O-OE1 3.24Å; S307-Q311 WeakPolarHBondContact O-CG 3.46Å; S307-Q311 PolarHBondContact O-N 3.39Å; S307-Q311 PolarHBondContact O-NE2 3.12Å; S307-Q311 PolarHBondContact OG-NE2 2.97Å; I308-Q311 PolarHBondContact O-N 2.88Å; I308-Q311 VanDerWaalsContact O-N 3.14Å; Q311-S313 PolarHBondContact O-N 2.9Å; Q311-W314 WeakPolarHBondContact O-CB 3.43Å; Q311-W314 PolarHBondContact O-N 2.94Å; Q311-H315 PolarHBondContact O-CD2 3.27Å; Q311-H315 PolarHBondContact O-N 2.84Å
312L90.6Very high86.6Confident22 Ų2235.5 Ų35.512%0.11518%0.183CC..Hα-helixtrans-61.3-44.5176.7-67.1172.9000112.1V255 I257 W274 M276 P283 I308 R309 W314 H315 Q316V255-L312 HydrophobicContact CG2-CD2 4.4Å; I257-L312 HydrophobicContact CD1-CD2 4.08Å; I257-L312 HydrophobicContact CD1-CG 4.35Å; W274-L312 VanDerWaalsContact CD1-CD2 3.4Å; W274-L312 HydrophobicContact CG-CD2 4.06Å; W274-L312 HydrophobicContact CZ2-CD1 4.42Å; M276-L312 HydrophobicContact CG-CD2 3.77Å; M276-L312 HydrophobicContact SD-CD2 4.32Å; P283-L312 HydrophobicContact CG-CD1 4.07Å; I308-L312 HydrophobicContact CG2-CD1 3.76Å; I308-L312 HydrophobicContact CG2-CG 4.19Å; I308-L312 VanDerWaalsContact O-CG 3.28Å; I308-L312 WeakPolarHBondContact O-CG 3.48Å; I308-L312 PolarHBondContact O-N 2.82Å; R309-L312 PolarHBondContact O-N 2.9Å; L312-W314 PolarHBondContact O-N 3.39Å; L312-H315 PolarHBondContact O-N 3Å; L312-Q316 WeakPolarHBondContact O-CG 3.36Å; L312-Q316 PolarHBondContact O-N 3.48Å
313S87.3Confident85.2Confident4 Ų440.2 Ų40.23%0.02820%0.2CC..Hα-helixtrans-66.5-27.6178.176.90000113R309 G310 Q311 R317R309-S313 PolarHBondContact O-N 3.43Å; G310-S313 PolarHBondContact O-OG 3.18Å; G310-S313 VanDerWaalsContact O-OG 3.07Å; Q311-S313 PolarHBondContact O-N 2.9Å; S313-R317 PolarHBondContact O-NE 3.16Å
314W84.3Confident84.4Confident77 Ų7746.8 Ų46.829%0.29224%0.235SC..Hα-helixtrans-72.7-46170.8-177.685.2000111.4L133 G310 Q311 L312 R317 T318L133-W314 HydrophobicContact CD1-CD2 3.96Å; L133-W314 HydrophobicContact CD1-CE3 4.41Å; L133-W314 HydrophobicContact CD1-CG 4.23Å; L133-W314 HydrophobicContact CD1-CZ2 4.35Å; L133-W314 HydrophobicContact CD2-CB 4.23Å; L133-W314 HydrophobicContact CD2-CD2 4.23Å; L133-W314 HydrophobicContact CD2-CE3 4.35Å; L133-W314 HydrophobicContact CD2-CG 4.16Å; L133-W314 HydrophobicContact CG-CG 4.43Å; G310-W314 PolarHBondContact O-N 2.9Å; Q311-W314 WeakPolarHBondContact O-CB 3.43Å; Q311-W314 PolarHBondContact O-N 2.94Å; L312-W314 PolarHBondContact O-N 3.39Å; W314-R317 PolarHBondContact O-N 3.04Å; W314-T318 HydrophobicContact CD2-CG2 4.3Å; W314-T318 HydrophobicContact CH2-CG2 4.44Å; W314-T318 HydrophobicContact CZ2-CG2 3.93Å; W314-T318 PolarHBondContact O-N 3.17Å; W314-T318 PolarHBondContact O-OG1 3.03Å
315H85.2Confident83.7Confident31 Ų3150.6 Ų50.614%0.14426%0.259CS..Hα-helixtrans-62.7-43.8176.8-80.5-67.1000112V255 M276 Q311 L312 R317 T318 Y319V255-H315 HydrophobicContact CG1-CB 4.14Å; V255-H315 HydrophobicContact CG2-CB 4.44Å; M276-H315 HydrophobicContact CE-CB 4.24Å; M276-H315 HydrophobicContact SD-CB 3.5Å; M276-H315 WeakPolarHBondContact SD-CB 3.33Å; Q311-H315 PolarHBondContact O-CD2 3.27Å; Q311-H315 PolarHBondContact O-N 2.84Å; L312-H315 PolarHBondContact O-N 3Å; H315-R317 PolarHBondContact O-N 3.17Å; H315-R317 VanDerWaalsContact O-N 3.07Å; H315-T318 PolarHBondContact O-N 2.97Å; H315-T318 PolarHBondContact O-OG1 3.36Å; H315-Y319 WeakPolarHBondContact O-CA 3.29Å; H315-Y319 WeakPolarHBondContact O-CB 3.21Å; H315-Y319 PolarHBondContact O-N 2.85Å
316Q82.8Confident83.3Confident61 Ų6152.8 Ų52.829%0.28527%0.27SS..Hα-helixtrans-52.2-35.7176.7-78.3173.9-24.100113.4P242 L312P242-Q316 HydrophobicContact CG-CB 4.47Å; L312-Q316 WeakPolarHBondContact O-CG 3.36Å; L312-Q316 PolarHBondContact O-N 3.48Å
317R78.6Confident83.1Confident50 Ų5057.6 Ų57.619%0.18930%0.302CS..Hα-helixtrans-83.5-27.6179.1-74178.2-69.8155.47.7114.1S129 P242 S313 W314 H315S129-R317 PolarHBondContact OG-NH1 3.4Å; S129-R317 PolarHBondContact OG-NH2 3.33Å; P242-R317 HydrophobicContact CB-CG 3.88Å; P242-R317 HydrophobicContact CG-CG 4.05Å; S313-R317 PolarHBondContact O-NE 3.16Å; W314-R317 PolarHBondContact O-N 3.04Å; H315-R317 PolarHBondContact O-N 3.17Å; H315-R317 VanDerWaalsContact O-N 3.07Å
318T78.9Confident83Confident25 Ų2561.6 Ų61.615%0.15333%0.326CS..Hα-helixtrans-104.6-19-171.754.70000113.1W314 H315 A320 F321 S322W314-T318 HydrophobicContact CD2-CG2 4.3Å; W314-T318 HydrophobicContact CH2-CG2 4.44Å; W314-T318 HydrophobicContact CZ2-CG2 3.93Å; W314-T318 PolarHBondContact O-N 3.17Å; W314-T318 PolarHBondContact O-OG1 3.03Å; H315-T318 PolarHBondContact O-N 2.97Å; H315-T318 PolarHBondContact O-OG1 3.36Å; T318-A320 VanDerWaalsContact C-N 3.34Å; T318-A320 PolarHBondContact O-N 3.43Å; T318-F321 CarbonylContact O-C 3.45Å; T318-F321 WeakPolarHBondContact O-CA 3.48Å; T318-F321 PolarHBondContact O-N 2.85Å; T318-S322 PolarHBondContact O-N 3.14Å
319Y75.3Confident82.9Confident32 Ų3266 Ų6613%0.12535%0.352CS..G310 helixtrans-61.1-40.6-172.6-170.1-84.1000112.5L247 Q253 V255 M276 H315 F321 S322L247-Y319 HydrophobicContact CD2-CD1 4.16Å; Q253-Y319 VanDerWaalsContact OE1-CZ 3.29Å; V255-Y319 HydrophobicContact CG1-CD2 3.7Å; V255-Y319 HydrophobicContact CG1-CE2 3.82Å; M276-Y319 HydrophobicContact CE-CD2 3.42Å; M276-Y319 VanDerWaalsContact CE-CD2 3.42Å; M276-Y319 HydrophobicContact CE-CE2 3.94Å; M276-Y319 HydrophobicContact CE-CG 3.78Å; H315-Y319 WeakPolarHBondContact O-CA 3.29Å; H315-Y319 WeakPolarHBondContact O-CB 3.21Å; H315-Y319 PolarHBondContact O-N 2.85Å; Y319-F321 PolarHBondContact O-N 2.84Å; Y319-S322 WeakPolarHBondContact O-CB 3.36Å; Y319-S322 PolarHBondContact O-N 3Å
320A69.5Low83Confident69 Ų6972.3 Ų72.357%0.5738%0.384SS*.G310 helixtrans-60.1-18.9175.400000113.7T318T318-A320 VanDerWaalsContact C-N 3.34Å; T318-A320 PolarHBondContact O-N 3.43Å
321F71.9Confident83.2Confident172 Ų17278.8 Ų78.875%0.75442%0.417SS*.G310 helixtrans-106.85176.8-50.3-75.3000112.5T318 Y319 E323T318-F321 CarbonylContact O-C 3.45Å; T318-F321 WeakPolarHBondContact O-CA 3.48Å; T318-F321 PolarHBondContact O-N 2.85Å; Y319-F321 PolarHBondContact O-N 2.84Å; F321-E323 PolarHBondContact O-N 3.42Å
322S73.6Confident83.5Confident59 Ų5982.8 Ų82.841%0.41345%0.452SS..  trans-73.2118.5178.9-1750000110T318 Y319 N324T318-S322 PolarHBondContact O-N 3.14Å; Y319-S322 WeakPolarHBondContact O-CB 3.36Å; Y319-S322 PolarHBondContact O-N 3Å; S322-N324 VanDerWaalsContact C-N 3.29Å; S322-N324 PolarHBondContact O-N 3.46Å
323E66.4Low83.7Confident178 Ų17888.5 Ų88.583%0.83248%0.481SS*.SBendtrans-78.2-13.5178.3-63.5-172.7159.700113.1F321F321-E323 PolarHBondContact O-N 3.42Å
324N74.9Confident84.1Confident141 Ų14192.6 Ų92.675%0.75450%0.496SS*.  trans-136.978.4-175.3-68.3-54.2000111.5S322S322-N324 VanDerWaalsContact C-N 3.29Å; S322-N324 PolarHBondContact O-N 3.46Å
325P81.9Confident84.6Confident80 Ų8093.9 Ų93.952%0.51951%0.509SS..PPolyproline II helixtrans-65.6158.817029.1-34.2000111.3
326L88.9Confident84.9Confident51 Ų5197.8 Ų97.827%0.26754%0.535SS..PPolyproline II helixtrans-65.3141.1174.7-74.4174.6000110.6R254 I256 E273R254-L326 HydrophobicContact CB-CD1 3.92Å; I256-L326 HydrophobicContact CD1-CD2 4.16Å; I256-L326 HydrophobicContact CG1-CD1 4.01Å; I256-L326 HydrophobicContact CG1-CD2 4.23Å; E273-L326 HydrophobicContact CG-CD1 4.08Å
327P91.4Very high85.1Confident102 Ų10297.1 Ų97.166%0.66254%0.544SS*.PPolyproline II helixtrans-67.6152.8174.330.4-35000110.5R254R254-P327 PolarHBondContact NH2-O 2.86Å
328T92.1Very high85.6Confident88 Ų8899.8 Ų99.854%0.5456%0.559SS.*PPolyproline II helixtrans-59143.1172.9550000110.9E330T328-E330 PolarHBondContact O-N 2.99Å
329V94Very high86.2Confident91 Ų91100.4 Ų100.455%0.55257%0.566SS**  trans-7592.6178.9-173.60000110.2R254 I331R254-V329 VanDerWaalsContact CZ-CG2 3.46Å; V329-I331 WeakPolarHBondContact CG1-O 3.37Å
330E95.1Very high87Confident175 Ų175104.9 Ų104.982%0.81859%0.593SS**SBendtrans-79.3-32173.5-63-177.3179.900112.1T328T328-E330 PolarHBondContact O-N 2.99Å
331I95.1Very high88Confident135 Ų135108 Ų10869%0.69260%0.595SS**SBendtrans-122.5116.4179.9-57.4173.9000108.4V329 I333V329-I331 WeakPolarHBondContact CG1-O 3.37Å; I331-I333 PolarHBondContact O-N 2.92Å
332A95.3Very high89.1Confident96 Ų96102.1 Ų102.179%0.79357%0.568SS**SBendtrans-71.7-9.2-173.900000114.8
333I95.9Very high90.1Very high141 Ų141102.6 Ų102.672%0.72357%0.571SS**SBendtrans-109.9114.2-177.5-56.3176.3000108.5I331I331-I333 PolarHBondContact O-N 2.92Å
334R94.6Very high91.5Very high91 Ų9196.3 Ų96.334%0.34355%0.546SS..  trans-64.9142.5172.9-171171.6-68120.4-0.4110.2E273 T336 E338 W342E273-R334 IonicContact OE1-CZ 3.94Å; E273-R334 IonicContact OE1-NH2 2.66Å; E273-R334 PolarHBondContact OE1-NH2 2.92Å; R334-T336 PolarHBondContact O-N 2.9Å; R334-E338 HydrophobicContact CG-CB 4.07Å; R334-W342 VanDerWaalsContact CD-CD1 3.43Å
335N94.6Very high92.5Very high103 Ų10393.8 Ų93.855%0.55153%0.532SS*.  trans-57.6136.9176.1-176.2-26.5000110.3G337 E338 A339N335-G337 VanDerWaalsContact C-N 3.26Å; N335-G337 PolarHBondContact O-N 3.22Å; N335-G337 PolarHBondContact OD1-N 2.7Å; N335-G337 VanDerWaalsContact OD1-N 3.11Å; N335-E338 PolarHBondContact O-N 3.34Å; N335-A339 WeakPolarHBondContact O-CB 3.37Å; N335-A339 PolarHBondContact O-N 2.92Å
336T91.9Very high93.1Very high114 Ų11493.1 Ų93.170%0.69952%0.523SS*.Hα-helixtrans-54.9-38.6-178.551.60000113.2R334 E338 A339R334-T336 PolarHBondContact O-N 2.9Å; T336-E338 VanDerWaalsContact C-N 3.27Å; T336-E338 PolarHBondContact O-N 3.45Å; T336-A339 PolarHBondContact O-N 3.39Å
337G87.4Confident93.4Very high46 Ų4694.3 Ų94.347%0.47453%0.527SS..Hα-helixtrans-69.3-25.3179.500000113.9N335N335-G337 VanDerWaalsContact C-N 3.26Å; N335-G337 PolarHBondContact O-N 3.22Å; N335-G337 PolarHBondContact OD1-N 2.7Å; N335-G337 VanDerWaalsContact OD1-N 3.11Å
338E89.6Confident93.5Very high106 Ų10694.4 Ų94.450%0.49553%0.526SS..Hα-helixtrans-86.3-41.3173.3-66.8178168.400110.4R334 N335 T336 D340 Q341R334-E338 HydrophobicContact CG-CB 4.07Å; N335-E338 PolarHBondContact O-N 3.34Å; T336-E338 VanDerWaalsContact C-N 3.27Å; T336-E338 PolarHBondContact O-N 3.45Å; E338-D340 PolarHBondContact O-N 2.82Å; E338-D340 VanDerWaalsContact O-N 3.1Å; E338-Q341 WeakPolarHBondContact O-CA 3.28Å; E338-Q341 WeakPolarHBondContact O-CB 3.44Å; E338-Q341 PolarHBondContact O-N 2.97Å
339A91.8Very high93.4Very high38 Ų3891.4 Ų91.431%0.31451%0.507SS..Hα-helixtrans-51.3-38.1-175.200000113.5N335 T336 Q341 W342N335-A339 WeakPolarHBondContact O-CB 3.37Å; N335-A339 PolarHBondContact O-N 2.92Å; T336-A339 PolarHBondContact O-N 3.39Å; A339-Q341 PolarHBondContact O-N 3.19Å; A339-Q341 VanDerWaalsContact O-N 3.16Å; A339-W342 PolarHBondContact O-N 3.38Å
340D90.4Very high93.4Very high127 Ų12790.9 Ų90.968%0.67950%0.504SS*.THydrogen-bonded Turntrans-60-23.9176.2-67.7-15.8000113.4E338 C343E338-D340 PolarHBondContact O-N 2.82Å; E338-D340 VanDerWaalsContact O-N 3.1Å; D340-C343 PolarHBondContact O-SG 2.79Å
341Q91.2Very high93Very high133 Ų13389.1 Ų89.162%0.62150%0.5SS*.THydrogen-bonded Turntrans-89.2-7.9176.9-55.5177.416.800112.8Q271 E338 A339Q271-Q341 VanDerWaalsContact CG-O 3.3Å; Q271-Q341 WeakPolarHBondContact CG-O 3.49Å; Q271-Q341 PolarHBondContact NE2-O 3.15Å; E338-Q341 WeakPolarHBondContact O-CA 3.28Å; E338-Q341 WeakPolarHBondContact O-CB 3.44Å; E338-Q341 PolarHBondContact O-N 2.97Å; A339-Q341 PolarHBondContact O-N 3.19Å; A339-Q341 VanDerWaalsContact O-N 3.16Å
342W95.2Very high92.7Very high49 Ų4986.3 Ų86.319%0.18650%0.497CS..SBendtrans-107.218.5-179.7-67.882.4000112.3I256 Q271 E273 R334 A339I256-W342 HydrophobicContact CD1-CH2 3.72Å; I256-W342 HydrophobicContact CD1-CZ2 4.29Å; I256-W342 HydrophobicContact CG1-CH2 3.89Å; I256-W342 HydrophobicContact CG2-CH2 4.05Å; I256-W342 HydrophobicContact CG2-CZ3 4.06Å; Q271-W342 HydrophobicContact CG-CD2 4.11Å; Q271-W342 HydrophobicContact CG-CE3 3.99Å; Q271-W342 HydrophobicContact CG-CG 4.39Å; Q271-W342 VanDerWaalsContact O-CE3 3.3Å; E273-W342 HydrophobicContact CG-CH2 3.77Å; E273-W342 HydrophobicContact CG-CZ3 3.71Å; R334-W342 VanDerWaalsContact CD-CD1 3.43Å; A339-W342 PolarHBondContact O-N 3.38Å
343C94.3Very high92.5Very high69 Ų6986.4 Ų86.447%0.46648%0.481SS..SBendtrans-102.5151.4174.469.30000111.4D340 L345D340-C343 PolarHBondContact O-SG 2.79Å; C343-L345 PolarHBondContact O-N 3.39Å
344P96.4Very high92Very high47 Ų4780.3 Ų80.331%0.30545%0.45SS..  trans-67132.6172.627.1-34.4000110.9L268 D270 L290 L294L268-P344 HydrophobicContact CD1-CB 4.05Å; D270-P344 HydrophobicContact CB-CB 4.09Å; L290-P344 HydrophobicContact CD1-CG 4.49Å; L294-P344 HydrophobicContact CD1-CB 3.97Å; L294-P344 HydrophobicContact CD1-CG 4.28Å; L294-P344 HydrophobicContact CD2-CB 4.35Å; L294-P344 HydrophobicContact CD2-CG 3.94Å
345L95.7Very high91.5Very high88 Ų8880.2 Ų80.246%0.46145%0.453SS..EExtended strand (participates in β ladder)trans-110.7122.2172.7177.765.5000109.5L268 V269 C343 E347L268-L345 WeakPolarHBondContact CA-O 3.24Å; V269-L345 PolarHBondContact N-O 3.01Å; V269-L345 PolarHBondContact O-N 3.3Å; C343-L345 PolarHBondContact O-N 3.39Å; L345-E347 HydrophobicContact CD1-CG 4.34Å; L345-E347 HydrophobicContact CD2-CG 4.31Å; L345-E347 HydrophobicContact CG-CG 4.08Å
346L94.9Very high91.2Very high65 Ų6581.8 Ų81.834%0.3446%0.455SS..EExtended strand (participates in β ladder)trans-109.6127.1173.3-74.5170.5000110.6I266 S267 L268 L294 L296I266-L346 HydrophobicContact CG2-CD2 3.89Å; S267-L346 WeakPolarHBondContact O-CA 3.49Å; L268-L346 HydrophobicContact CB-CD2 3.76Å; L268-L346 HydrophobicContact CD1-CD2 3.74Å; L268-L346 HydrophobicContact CD1-CG 4.13Å; L268-L346 HydrophobicContact CG-CD2 4.29Å; L294-L346 HydrophobicContact CB-CD1 3.98Å; L294-L346 HydrophobicContact CD1-CD1 4.13Å; L294-L346 HydrophobicContact CD2-CD1 4.19Å; L294-L346 HydrophobicContact CG-CD1 4.33Å; L296-L346 HydrophobicContact CD1-CD1 4.27Å; L296-L346 HydrophobicContact CD1-CD2 3.96Å; L296-L346 HydrophobicContact CD2-CD1 4.07Å; L296-L346 HydrophobicContact CD2-CD2 4.12Å; L296-L346 HydrophobicContact CG-CD1 4.35Å
347E94Very high90.8Very high76 Ų7679 Ų7936%0.35543%0.433SS..EExtended strand (participates in β ladder)trans-128.6134.1177.2-61.1179.3137.900110I266 S267 L345 L349 K357I266-E347 WeakPolarHBondContact CA-O 3.44Å; S267-E347 PolarHBondContact N-O 2.7Å; S267-E347 PolarHBondContact O-N 3.38Å; L345-E347 HydrophobicContact CD1-CG 4.34Å; L345-E347 HydrophobicContact CD2-CG 4.31Å; L345-E347 HydrophobicContact CG-CG 4.08Å; E347-L349 HydrophobicContact CB-CD2 4.3Å; E347-K357 IonicContact OE2-NZ 3.38Å; E347-K357 PolarHBondContact OE2-NZ 2.88Å
348T93.8Very high90.5Very high104 Ų10478.9 Ų78.964%0.63842%0.421SS*.EExtended strand (participates in β ladder)trans-89.1124.3165.6-51.50000108.7N265N265-T348 VanDerWaalsContact ND2-CG2 3.31Å; N265-T348 WeakPolarHBondContact ND2-CG2 3.21Å; N265-T348 CarbonylContact O-C 3.45Å; N265-T348 WeakPolarHBondContact O-CA 3.23Å
349L91.2Very high90Very high25 Ų2581.5 Ų81.513%0.13143%0.426CS..  trans-113.5148.5-177.5-60.2176.4000109.9N265 E347 E353 M354 K357N265-L349 WeakPolarHBondContact CB-O 3.21Å; N265-L349 PolarHBondContact O-N 3.02Å; E347-L349 HydrophobicContact CB-CD2 4.3Å; L349-E353 HydrophobicContact CB-CB 4.08Å; L349-E353 HydrophobicContact CD2-CB 4.32Å; L349-M354 HydrophobicContact CB-CB 4.38Å; L349-M354 HydrophobicContact CB-SD 4.48Å; L349-M354 HydrophobicContact CD1-CE 3.86Å; L349-M354 HydrophobicContact CD1-SD 3.96Å; L349-K357 HydrophobicContact CD1-CD 3.48Å; L349-K357 VanDerWaalsContact CD1-CD 3.48Å
350T92.8Very high89.5Confident80 Ų8082.4 Ų82.449%0.49143%0.426SS..  trans-71.3160.6166.160.30000110.7A352 E353 M354T350-A352 PolarHBondContact O-N 3.1Å; T350-A352 VanDerWaalsContact O-N 3.15Å; T350-E353 WeakPolarHBondContact CB-OE2 3.39Å; T350-E353 WeakPolarHBondContact CG2-OE2 3.21Å; T350-E353 PolarHBondContact N-OE2 3.29Å; T350-E353 PolarHBondContact O-N 3.06Å; T350-E353 VanDerWaalsContact OG1-CD 3.22Å; T350-E353 VanDerWaalsContact OG1-CG 3.26Å; T350-E353 WeakPolarHBondContact OG1-CG 3.33Å; T350-E353 PolarHBondContact OG1-N 2.98Å; T350-E353 PolarHBondContact OG1-OE2 2.99Å; T350-M354 WeakPolarHBondContact O-CB 3.4Å; T350-M354 PolarHBondContact O-N 2.84Å
351D86.9Confident88.7Confident138 Ų13878 Ų7874%0.73840%0.402SS*.Hα-helixtrans-53.6-38.3177.4-64.3-11.1000112.6M354 E355D351-M354 PolarHBondContact O-N 3.15Å; D351-E355 VanDerWaalsContact O-CB 3.27Å; D351-E355 WeakPolarHBondContact O-CB 3.33Å; D351-E355 PolarHBondContact O-N 3.04Å
352A89.4Confident87.7Confident76 Ų7674.4 Ų74.463%0.62839%0.387SS*.Hα-helixtrans-68.6-41.4178.500000112.5T350 K356T350-A352 PolarHBondContact O-N 3.1Å; T350-A352 VanDerWaalsContact O-N 3.15Å; A352-K356 VanDerWaalsContact O-CB 3.26Å; A352-K356 WeakPolarHBondContact O-CB 3.38Å; A352-K356 PolarHBondContact O-N 3.15Å
353E90.3Very high86.8Confident99 Ų9979.9 Ų79.946%0.46341%0.407SS..Hα-helixtrans-68.1-39.4175.1-71.4164.1147.300111.1L349 T350 K356 K357L349-E353 HydrophobicContact CB-CB 4.08Å; L349-E353 HydrophobicContact CD2-CB 4.32Å; T350-E353 WeakPolarHBondContact CB-OE2 3.39Å; T350-E353 WeakPolarHBondContact CG2-OE2 3.21Å; T350-E353 PolarHBondContact N-OE2 3.29Å; T350-E353 PolarHBondContact O-N 3.06Å; T350-E353 VanDerWaalsContact OG1-CD 3.22Å; T350-E353 VanDerWaalsContact OG1-CG 3.26Å; T350-E353 WeakPolarHBondContact OG1-CG 3.33Å; T350-E353 PolarHBondContact OG1-N 2.98Å; T350-E353 PolarHBondContact OG1-OE2 2.99Å; E353-K356 PolarHBondContact O-N 2.75Å; E353-K357 WeakPolarHBondContact O-CB 3.37Å; E353-K357 PolarHBondContact O-N 2.86Å
354M86.1Confident85.6Confident13 Ų1380.7 Ų80.76%0.06441%0.407CS..Hα-helixtrans-63.8-51.1179.2-168.872.4-92.300110.8H262 L349 T350 D351 K356 K357 I358H262-M354 HydrophobicContact CB-CE 3.74Å; H262-M354 HydrophobicContact CB-SD 4.07Å; H262-M354 WeakPolarHBondContact ND1-CE 3.45Å; L349-M354 HydrophobicContact CB-CB 4.38Å; L349-M354 HydrophobicContact CB-SD 4.48Å; L349-M354 HydrophobicContact CD1-CE 3.86Å; L349-M354 HydrophobicContact CD1-SD 3.96Å; T350-M354 WeakPolarHBondContact O-CB 3.4Å; T350-M354 PolarHBondContact O-N 2.84Å; D351-M354 PolarHBondContact O-N 3.15Å; M354-K356 VanDerWaalsContact C-N 3.3Å; M354-K356 PolarHBondContact O-N 2.91Å; M354-K357 HydrophobicContact CE-CB 4.1Å; M354-K357 HydrophobicContact CE-CD 4.28Å; M354-K357 PolarHBondContact O-N 3.31Å; M354-K357 VanDerWaalsContact O-N 3.15Å; M354-I358 HydrophobicContact CE-CD1 4.19Å; M354-I358 HydrophobicContact CE-CG1 3.96Å; M354-I358 HydrophobicContact CG-CD1 4.03Å; M354-I358 WeakPolarHBondContact O-CG1 3.28Å; M354-I358 PolarHBondContact O-N 3.45Å
355E84Confident84.2Confident88 Ų8879.2 Ų79.241%0.41140%0.397SS..Hα-helixtrans-60.2-40.9176.8-178.965.7-168.600111.2D351 R359D351-E355 VanDerWaalsContact O-CB 3.27Å; D351-E355 WeakPolarHBondContact O-CB 3.33Å; D351-E355 PolarHBondContact O-N 3.04Å; E355-R359 WeakPolarHBondContact O-CB 3.5Å; E355-R359 VanDerWaalsContact O-CG 3.26Å; E355-R359 WeakPolarHBondContact O-CG 3.48Å; E355-R359 PolarHBondContact O-N 3.38Å; E355-R359 IonicContact OE1-CZ 2.72Å; E355-R359 IonicContact OE1-NE 3.97Å; E355-R359 PolarHBondContact OE1-NE 2.93Å; E355-R359 IonicContact OE1-NH2 3.71Å; E355-R359 PolarHBondContact OE1-NH2 3.14Å
356K87.4Confident82.9Confident136 Ų13681.6 Ų81.659%0.59140%0.4SS*.Hα-helixtrans-61.9-46.7174.5-177.3-175173.9-167.90111.3A352 E353 M354 R359 D360A352-K356 VanDerWaalsContact O-CB 3.26Å; A352-K356 WeakPolarHBondContact O-CB 3.38Å; A352-K356 PolarHBondContact O-N 3.15Å; E353-K356 PolarHBondContact O-N 2.75Å; M354-K356 VanDerWaalsContact C-N 3.3Å; M354-K356 PolarHBondContact O-N 2.91Å; K356-R359 PolarHBondContact O-N 3.01Å; K356-D360 WeakPolarHBondContact O-CB 3.39Å; K356-D360 PolarHBondContact O-N 2.95Å
357K83.9Confident81.7Confident57 Ų5786.2 Ų86.225%0.24841%0.412CS..Hα-helixtrans-62.3-44.6-179.4-161.4170.5-170.1176.80110.9S267 E347 L349 E353 M354 Q361S267-K357 PolarHBondContact OG-NZ 2.9Å; E347-K357 IonicContact OE2-NZ 3.38Å; E347-K357 PolarHBondContact OE2-NZ 2.88Å; L349-K357 HydrophobicContact CD1-CD 3.48Å; L349-K357 VanDerWaalsContact CD1-CD 3.48Å; E353-K357 WeakPolarHBondContact O-CB 3.37Å; E353-K357 PolarHBondContact O-N 2.86Å; M354-K357 HydrophobicContact CE-CB 4.1Å; M354-K357 HydrophobicContact CE-CD 4.28Å; M354-K357 PolarHBondContact O-N 3.31Å; M354-K357 VanDerWaalsContact O-N 3.15Å; K357-Q361 WeakPolarHBondContact O-CB 3.49Å; K357-Q361 PolarHBondContact O-N 3.48Å
358I80.7Confident79.7Confident42 Ų4287.8 Ų87.822%0.21542%0.421CS..Hα-helixtrans-62.2-46175.6-66.8167.4000111.1M354 Q361 D362M354-I358 HydrophobicContact CE-CD1 4.19Å; M354-I358 HydrophobicContact CE-CG1 3.96Å; M354-I358 HydrophobicContact CG-CD1 4.03Å; M354-I358 WeakPolarHBondContact O-CG1 3.28Å; M354-I358 PolarHBondContact O-N 3.45Å; I358-Q361 PolarHBondContact O-N 2.89Å; I358-D362 WeakPolarHBondContact O-CB 3.31Å; I358-D362 PolarHBondContact O-N 3.38Å
359R80.7Confident78.2Confident161 Ų16185.4 Ų85.461%0.60840%0.4SS*.Hα-helixtrans-65.2-45.2178.9-76.4-179.5-172-160.15.7113.1E355 K356 Q361 D362 R363E355-R359 WeakPolarHBondContact O-CB 3.5Å; E355-R359 VanDerWaalsContact O-CG 3.26Å; E355-R359 WeakPolarHBondContact O-CG 3.48Å; E355-R359 PolarHBondContact O-N 3.38Å; E355-R359 IonicContact OE1-CZ 2.72Å; E355-R359 IonicContact OE1-NE 3.97Å; E355-R359 PolarHBondContact OE1-NE 2.93Å; E355-R359 IonicContact OE1-NH2 3.71Å; E355-R359 PolarHBondContact OE1-NH2 3.14Å; K356-R359 PolarHBondContact O-N 3.01Å; R359-Q361 VanDerWaalsContact C-N 3.25Å; R359-Q361 PolarHBondContact O-N 2.85Å; R359-D362 PolarHBondContact O-N 3.45Å; R359-R363 WeakPolarHBondContact O-CB 3.44Å; R359-R363 PolarHBondContact O-N 3.4Å
360D81.1Confident76.8Confident57 Ų5792.9 Ų92.931%0.30543%0.427SS..Hα-helixtrans-63.8-36.7178.7-80.8-31.9000110.7K356 R363 N364K356-D360 WeakPolarHBondContact O-CB 3.39Å; K356-D360 PolarHBondContact O-N 2.95Å; D360-R363 IonicContact OD1-CZ 2.69Å; D360-R363 IonicContact OD1-NH1 3.11Å; D360-R363 PolarHBondContact OD1-NH1 2.96Å; D360-R363 VanDerWaalsContact OD1-NH1 3.15Å; D360-R363 IonicContact OD1-NH2 2.96Å; D360-R363 PolarHBondContact OD1-NH2 2.96Å; D360-N364 WeakPolarHBondContact O-CB 3.45Å; D360-N364 PolarHBondContact O-N 2.69Å
361Q72.5Confident74.7Confident36 Ų3692.9 Ų92.917%0.16842%0.424CS..Hα-helixtrans-68.4-49.6175.6-177.4-96.4-41.200112.3A135 K357 I358 R359 R363 N364 T365A135-Q361 HydrophobicContact CB-CG 4.19Å; A135-Q361 VanDerWaalsContact CB-OE1 3.23Å; A135-Q361 VanDerWaalsContact N-NE2 3.15Å; K357-Q361 WeakPolarHBondContact O-CB 3.49Å; K357-Q361 PolarHBondContact O-N 3.48Å; I358-Q361 PolarHBondContact O-N 2.89Å; R359-Q361 VanDerWaalsContact C-N 3.25Å; R359-Q361 PolarHBondContact O-N 2.85Å; Q361-R363 VanDerWaalsContact C-N 3.27Å; Q361-R363 PolarHBondContact O-N 3.09Å; Q361-N364 WeakPolarHBondContact O-CA 3.13Å; Q361-N364 WeakPolarHBondContact O-CB 3.42Å; Q361-N364 PolarHBondContact O-N 3.44Å; Q361-T365 PolarHBondContact NE2-OG1 3.2Å; Q361-T365 VanDerWaalsContact NE2-OG1 3.16Å; Q361-T365 PolarHBondContact O-N 2.81Å; Q361-T365 PolarHBondContact O-OG1 2.95Å
362D70.9Confident72.7Confident57 Ų5789.7 Ų89.731%0.30542%0.416SS..Hα-helixtrans-58-40.5175177.840.6000111.4I358 R359 N364 T365 R366I358-D362 WeakPolarHBondContact O-CB 3.31Å; I358-D362 PolarHBondContact O-N 3.38Å; R359-D362 PolarHBondContact O-N 3.45Å; D362-N364 VanDerWaalsContact C-N 3.34Å; D362-N364 PolarHBondContact O-N 3.37Å; D362-T365 PolarHBondContact O-N 2.92Å; D362-R366 VanDerWaalsContact CG-NE 3.29Å; D362-R366 WeakPolarHBondContact O-CB 3.26Å; D362-R366 VanDerWaalsContact O-CG 3.24Å; D362-R366 WeakPolarHBondContact O-CG 3.39Å; D362-R366 PolarHBondContact O-N 3.35Å; D362-R366 IonicContact OD1-CZ 3.79Å; D362-R366 IonicContact OD1-NE 3.2Å; D362-R366 PolarHBondContact OD1-NE 2.88Å; D362-R366 IonicContact OD1-NH2 3.97Å; D362-R366 IonicContact OD2-CZ 3.72Å; D362-R366 IonicContact OD2-NE 2.96Å; D362-R366 PolarHBondContact OD2-NE 3.05Å; D362-R366 IonicContact OD2-NH2 3.58Å; D362-R366 PolarHBondContact OD2-NH2 2.74Å
363R75.5Confident70.4Confident164 Ų16492.8 Ų92.862%0.61942%0.422SS*.Hα-helixtrans-59.7-43.8172.9-172.7-178.669.3-144-10.9111.7R359 D360 Q361 R367R359-R363 WeakPolarHBondContact O-CB 3.44Å; R359-R363 PolarHBondContact O-N 3.4Å; D360-R363 IonicContact OD1-CZ 2.69Å; D360-R363 IonicContact OD1-NH1 3.11Å; D360-R363 PolarHBondContact OD1-NH1 2.96Å; D360-R363 VanDerWaalsContact OD1-NH1 3.15Å; D360-R363 IonicContact OD1-NH2 2.96Å; D360-R363 PolarHBondContact OD1-NH2 2.96Å; Q361-R363 VanDerWaalsContact C-N 3.27Å; Q361-R363 PolarHBondContact O-N 3.09Å; R363-R367 WeakPolarHBondContact O-CB 3.27Å; R363-R367 PolarHBondContact O-N 2.82Å
364N70.3Confident67.9Low86 Ų8693 Ų9346%0.4643%0.43SS..Hα-helixtrans-68.5-43.5179.9-166.847.4000112.1D360 Q361 D362 R366 R367 M368D360-N364 WeakPolarHBondContact O-CB 3.45Å; D360-N364 PolarHBondContact O-N 2.69Å; Q361-N364 WeakPolarHBondContact O-CA 3.13Å; Q361-N364 WeakPolarHBondContact O-CB 3.42Å; Q361-N364 PolarHBondContact O-N 3.44Å; D362-N364 VanDerWaalsContact C-N 3.34Å; D362-N364 PolarHBondContact O-N 3.37Å; N364-R366 PolarHBondContact O-N 3.46Å; N364-R367 WeakPolarHBondContact O-CB 3.45Å; N364-R367 PolarHBondContact O-N 2.8Å; N364-R367 VanDerWaalsContact O-N 3.14Å; N364-M368 WeakPolarHBondContact O-CG 3.36Å; N364-M368 PolarHBondContact O-N 3.06Å
365T65.9Low65.3Low15 Ų15104.6 Ų104.69%0.09247%0.474CS..Hα-helixtrans-54.2-51.4171.9-73.90000111.1D134 Q361 D362 R367 M368 R369D134-T365 VanDerWaalsContact OD1-CB 3.31Å; D134-T365 WeakPolarHBondContact OD1-CB 3.22Å; D134-T365 WeakPolarHBondContact OD1-CG2 3.38Å; D134-T365 PolarHBondContact OD1-OG1 2.9Å; D134-T365 WeakPolarHBondContact OD2-CG2 3.48Å; Q361-T365 PolarHBondContact NE2-OG1 3.2Å; Q361-T365 VanDerWaalsContact NE2-OG1 3.16Å; Q361-T365 PolarHBondContact O-N 2.81Å; Q361-T365 PolarHBondContact O-OG1 2.95Å; D362-T365 PolarHBondContact O-N 2.92Å; T365-R367 VanDerWaalsContact C-N 3.26Å; T365-R367 PolarHBondContact O-N 3.15Å; T365-M368 PolarHBondContact O-N 2.86Å; T365-R369 VanDerWaalsContact CG2-CZ 3.45Å; T365-R369 WeakPolarHBondContact O-CG 3.08Å; T365-R369 PolarHBondContact O-N 3.24Å
366R67.8Low64.4Low139 Ų139105.4 Ų105.453%0.52548%0.477SS..Hα-helixtrans-60.7-37.7178.3-70.2175-166.2-149.98.4111.5D362 N364 R370D362-R366 VanDerWaalsContact CG-NE 3.29Å; D362-R366 WeakPolarHBondContact O-CB 3.26Å; D362-R366 VanDerWaalsContact O-CG 3.24Å; D362-R366 WeakPolarHBondContact O-CG 3.39Å; D362-R366 PolarHBondContact O-N 3.35Å; D362-R366 IonicContact OD1-CZ 3.79Å; D362-R366 IonicContact OD1-NE 3.2Å; D362-R366 PolarHBondContact OD1-NE 2.88Å; D362-R366 IonicContact OD1-NH2 3.97Å; D362-R366 IonicContact OD2-CZ 3.72Å; D362-R366 IonicContact OD2-NE 2.96Å; D362-R366 PolarHBondContact OD2-NE 3.05Å; D362-R366 IonicContact OD2-NH2 3.58Å; D362-R366 PolarHBondContact OD2-NH2 2.74Å; N364-R366 PolarHBondContact O-N 3.46Å; R366-R370 VanDerWaalsContact O-CG 3.29Å; R366-R370 WeakPolarHBondContact O-CG 3.18Å; R366-R370 PolarHBondContact O-N 3.05Å; R366-R370 VanDerWaalsContact O-N 3.13Å
367R70.8Confident63.2Low161 Ų161103.8 Ų103.861%0.60847%0.471SS*.Hα-helixtrans-64.1-48.2174.9-176.5-173.9178.5-155.60.1111.6R363 N364 T365 R370 L371R363-R367 WeakPolarHBondContact O-CB 3.27Å; R363-R367 PolarHBondContact O-N 2.82Å; N364-R367 WeakPolarHBondContact O-CB 3.45Å; N364-R367 PolarHBondContact O-N 2.8Å; N364-R367 VanDerWaalsContact O-N 3.14Å; T365-R367 VanDerWaalsContact C-N 3.26Å; T365-R367 PolarHBondContact O-N 3.15Å; R367-R370 WeakPolarHBondContact O-CB 3.26Å; R367-R370 PolarHBondContact O-N 3.34Å; R367-L371 HydrophobicContact CG-CD1 4.25Å; R367-L371 WeakPolarHBondContact O-CG 3.26Å; R367-L371 PolarHBondContact O-N 2.79Å
368M52.3Low62.1Low109 Ų109106.4 Ų106.454%0.53748%0.483SS..Hα-helixtrans-63.8-41.2179.7-71.6-57.5-65.900112N364 T365 R370 L371 A372N364-M368 WeakPolarHBondContact O-CG 3.36Å; N364-M368 PolarHBondContact O-N 3.06Å; T365-M368 PolarHBondContact O-N 2.86Å; M368-R370 VanDerWaalsContact C-N 3.33Å; M368-R370 PolarHBondContact O-N 3.28Å; M368-L371 PolarHBondContact O-N 3.1Å; M368-L371 HydrophobicContact SD-CD1 4.21Å; M368-A372 WeakPolarHBondContact O-CB 3.31Å; M368-A372 PolarHBondContact O-N 3.38Å
369R61.7Low61Low54 Ų54110.2 Ų110.220%0.20450%0.499CS..Hα-helixtrans-60.1-40173.1-73.9-179.4177.8141.711.8113N128 S130 D134 T365 N373N128-R369 PolarHBondContact ND2-NE 2.79Å; N128-R369 PolarHBondContact OD1-NE 2.72Å; S130-R369 PolarHBondContact OG-NE 2.94Å; S130-R369 PolarHBondContact OG-NH2 2.97Å; D134-R369 IonicContact OD1-NH2 3.74Å; D134-R369 IonicContact OD2-CZ 3.19Å; D134-R369 IonicContact OD2-NH1 3.15Å; D134-R369 IonicContact OD2-NH2 3.28Å; D134-R369 PolarHBondContact OD2-NH2 2.93Å; T365-R369 VanDerWaalsContact CG2-CZ 3.45Å; T365-R369 WeakPolarHBondContact O-CG 3.08Å; T365-R369 PolarHBondContact O-N 3.24Å; R369-N373 PolarHBondContact O-N 3.03Å; R369-N373 VanDerWaalsContact O-N 3.15Å
370R62.2Low59.7Low182 Ų182107 Ų10769%0.68749%0.492SS*.Hα-helixtrans-62.8-48.4174.9-73.1171.8-173.7-176.31.7110.7R366 R367 M368 A372 N373 T374R366-R370 VanDerWaalsContact O-CG 3.29Å; R366-R370 WeakPolarHBondContact O-CG 3.18Å; R366-R370 PolarHBondContact O-N 3.05Å; R366-R370 VanDerWaalsContact O-N 3.13Å; R367-R370 WeakPolarHBondContact O-CB 3.26Å; R367-R370 PolarHBondContact O-N 3.34Å; M368-R370 VanDerWaalsContact C-N 3.33Å; M368-R370 PolarHBondContact O-N 3.28Å; R370-A372 VanDerWaalsContact C-N 3.34Å; R370-A372 PolarHBondContact O-N 2.79Å; R370-N373 PolarHBondContact O-N 2.78Å; R370-T374 PolarHBondContact O-N 2.93Å; R370-T374 PolarHBondContact O-OG1 3.38Å
371L49Very low58.3Low81 Ų81110.3 Ų110.342%0.42450%0.504SS..Hα-helixtrans-60.4-41.9178.9-70.4169.1000112R367 M368 N373 T374 W375R367-L371 HydrophobicContact CG-CD1 4.25Å; R367-L371 WeakPolarHBondContact O-CG 3.26Å; R367-L371 PolarHBondContact O-N 2.79Å; M368-L371 PolarHBondContact O-N 3.1Å; M368-L371 HydrophobicContact SD-CD1 4.21Å; L371-N373 VanDerWaalsContact C-N 3.3Å; L371-N373 PolarHBondContact O-N 3.47Å; L371-T374 PolarHBondContact O-N 3.12Å; L371-W375 VanDerWaalsContact O-CD1 3.31Å
372A44.9Very low57.3Low70 Ų70115.6 Ų115.658%0.57953%0.528SS*.Hα-helixtrans-65-30.417700000113.6M368 R370M368-A372 WeakPolarHBondContact O-CB 3.31Å; M368-A372 PolarHBondContact O-N 3.38Å; R370-A372 VanDerWaalsContact C-N 3.34Å; R370-A372 PolarHBondContact O-N 2.79Å
373N41.3Very low56.2Low142 Ų142120.2 Ų120.276%0.75955%0.546SS*.THydrogen-bonded Turntrans-87.6-0.1177.2-70.2-8.3000113.8R369 R370 L371R369-N373 PolarHBondContact O-N 3.03Å; R369-N373 VanDerWaalsContact O-N 3.15Å; R370-N373 PolarHBondContact O-N 2.78Å; L371-N373 VanDerWaalsContact C-N 3.3Å; L371-N373 PolarHBondContact O-N 3.47Å
374T37.8Very low54.6Low103 Ų103116.5 Ų116.563%0.63254%0.54SS*.THydrogen-bonded Turntrans-97.2-0.2179.8-26.70000113R370 L371R370-T374 PolarHBondContact O-N 2.93Å; R370-T374 PolarHBondContact O-OG1 3.38Å; L371-T374 PolarHBondContact O-N 3.12Å
375W31.6Very low53.2Low256 Ų256119.3 Ų119.397%0.9755%0.547SS*.  trans-118.20-179.2-69.1101.3000111.7L371L371-W375 VanDerWaalsContact O-CD1 3.31Å

Retrieved 375 of 375 residues in 131.6 ms (Link to these results)

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