A0A2K6AMF7_MACNE Loading...

Abhydrolase domain containing 16B

AlphaFold DB , UniProt , Accession A0A2K6AMF7, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene ABHD16B, Length 469 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
1M42.7Very low39.1Very low218 Ų218106.3 Ų106.3100%1.07458%0.584SS**  0123.30-77.7170.870.300108.6
2C31Very low39.8Very low75 Ų75107.3 Ų107.351%0.50758%0.581SS.*  trans-72.3136.7-174.6-169.80000111.1I4 C5 F6C2-I4 PolarHBondContact O-N 2.91Å; C2-I4 VanDerWaalsContact O-N 3.09Å; C2-C5 WeakPolarHBondContact O-CA 3.38Å; C2-C5 WeakPolarHBondContact O-CB 3.28Å; C2-C5 PolarHBondContact O-N 3.47Å; C2-F6 PolarHBondContact O-N 2.71Å
3V32.1Very low40.9Very low114 Ų114104.7 Ų104.769%0.69157%0.571SS**Hα-helixtrans-51.8-34-179.9175.10000111.9F6 V7V3-F6 PolarHBondContact O-N 2.93Å; V3-V7 WeakPolarHBondContact O-CG2 3.42Å; V3-V7 PolarHBondContact O-N 2.88Å
4I37.8Very low41.8Very low108 Ų108104.1 Ų104.155%0.55456%0.561SS**Hα-helixtrans-68.1-35.8177.5-61171.2000111.8C2 K8C2-I4 PolarHBondContact O-N 2.91Å; C2-I4 VanDerWaalsContact O-N 3.09Å; I4-K8 HydrophobicContact CG2-CD 4.45Å; I4-K8 WeakPolarHBondContact O-CB 3.4Å; I4-K8 WeakPolarHBondContact O-CG 3.36Å; I4-K8 PolarHBondContact O-N 3.48Å
5C30.1Very low42.4Very low77 Ų77105.9 Ų105.952%0.5256%0.561SS.*Hα-helixtrans-72.7-34.5176.7-60.70000111.6C2 A9C2-C5 WeakPolarHBondContact O-CA 3.38Å; C2-C5 WeakPolarHBondContact O-CB 3.28Å; C2-C5 PolarHBondContact O-N 3.47Å; C5-A9 VanDerWaalsContact O-CB 3.31Å; C5-A9 WeakPolarHBondContact O-CB 3.17Å; C5-A9 PolarHBondContact O-N 3.27Å
6F37Very low43.2Very low124 Ų124105.3 Ų105.354%0.54456%0.557SS.*Hα-helixtrans-67.6-45.6174.4-176.4-99.9000111.7C2 V3 K8 A9 L10C2-F6 PolarHBondContact O-N 2.71Å; V3-F6 PolarHBondContact O-N 2.93Å; F6-K8 PolarHBondContact O-N 3.28Å; F6-A9 PolarHBondContact O-N 3.06Å; F6-L10 HydrophobicContact CE1-CD1 4.1Å; F6-L10 HydrophobicContact CZ-CD1 4Å; F6-L10 WeakPolarHBondContact O-CB 3.41Å; F6-L10 PolarHBondContact O-N 3.41Å
7V39.8Very low43.7Very low79 Ų79104.6 Ų104.648%0.47955%0.546SS..Hα-helixtrans-63.8-40.8176.1174.10000111.3V3 L10 V11V3-V7 WeakPolarHBondContact O-CG2 3.42Å; V3-V7 PolarHBondContact O-N 2.88Å; V7-L10 PolarHBondContact O-N 3.13Å; V7-V11 HydrophobicContact CG1-CG2 4.37Å; V7-V11 WeakPolarHBondContact O-CB 3.46Å; V7-V11 VanDerWaalsContact O-CG2 3.23Å; V7-V11 WeakPolarHBondContact O-CG2 3.38Å; V7-V11 PolarHBondContact O-N 2.93Å
8K38Very low44.2Very low148 Ų148102.9 Ų102.964%0.64354%0.537SS*.Hα-helixtrans-64.2-40.8174.1-80.2-179176.4179.70112.4I4 F6 V11 H12I4-K8 HydrophobicContact CG2-CD 4.45Å; I4-K8 WeakPolarHBondContact O-CB 3.4Å; I4-K8 WeakPolarHBondContact O-CG 3.36Å; I4-K8 PolarHBondContact O-N 3.48Å; F6-K8 PolarHBondContact O-N 3.28Å; K8-V11 PolarHBondContact O-N 3.38Å; K8-H12 VanDerWaalsContact O-CB 3.31Å; K8-H12 WeakPolarHBondContact O-CB 3.43Å; K8-H12 PolarHBondContact O-N 3.28Å
9A41.2Very low44.3Very low52 Ų52102.6 Ų102.643%0.4354%0.54SS..Hα-helixtrans-64-43.6175.100000111.3C5 F6 H12 V13C5-A9 VanDerWaalsContact O-CB 3.31Å; C5-A9 WeakPolarHBondContact O-CB 3.17Å; C5-A9 PolarHBondContact O-N 3.27Å; F6-A9 PolarHBondContact O-N 3.06Å; A9-H12 PolarHBondContact O-N 3.32Å; A9-V13 WeakPolarHBondContact O-CB 3.34Å; A9-V13 VanDerWaalsContact O-CG2 3.23Å; A9-V13 WeakPolarHBondContact O-CG2 3.42Å; A9-V13 PolarHBondContact O-N 3.27Å
10L43.7Very low44.3Very low82 Ų8299.5 Ų99.543%0.42953%0.529SS..Hα-helixtrans-61.7-46.9176.4-145.193.3000111.1F6 V7 H12 V13 F14F6-L10 HydrophobicContact CE1-CD1 4.1Å; F6-L10 HydrophobicContact CZ-CD1 4Å; F6-L10 WeakPolarHBondContact O-CB 3.41Å; F6-L10 PolarHBondContact O-N 3.41Å; V7-L10 PolarHBondContact O-N 3.13Å; L10-H12 VanDerWaalsContact C-N 3.29Å; L10-H12 PolarHBondContact O-N 3.04Å; L10-V13 PolarHBondContact O-N 3.23Å; L10-F14 HydrophobicContact CD2-CD2 4.24Å; L10-F14 HydrophobicContact CD2-CE2 3.98Å; L10-F14 HydrophobicContact CG-CD2 4.15Å; L10-F14 HydrophobicContact CG-CE2 4.17Å; L10-F14 WeakPolarHBondContact O-CB 3.33Å; L10-F14 VanDerWaalsContact O-CD2 3.32Å; L10-F14 WeakPolarHBondContact O-CD2 3.45Å; L10-F14 PolarHBondContact O-N 3.44Å
11V56.6Low44.1Very low92 Ų92100.2 Ų100.256%0.55854%0.543SS*.Hα-helixtrans-62.1-37175.9169.80000111.2V7 K8 K15V7-V11 HydrophobicContact CG1-CG2 4.37Å; V7-V11 WeakPolarHBondContact O-CB 3.46Å; V7-V11 VanDerWaalsContact O-CG2 3.23Å; V7-V11 WeakPolarHBondContact O-CG2 3.38Å; V7-V11 PolarHBondContact O-N 2.93Å; K8-V11 PolarHBondContact O-N 3.38Å; V11-K15 WeakPolarHBondContact O-CB 3.3Å; V11-K15 PolarHBondContact O-N 3.29Å
12H47.3Very low44.4Very low118 Ų11893.9 Ų93.955%0.54651%0.507SS..Hα-helixtrans-70.4-41.4177.9-147.549.7000111.9K8 A9 L10 K15 I16K8-H12 VanDerWaalsContact O-CB 3.31Å; K8-H12 WeakPolarHBondContact O-CB 3.43Å; K8-H12 PolarHBondContact O-N 3.28Å; A9-H12 PolarHBondContact O-N 3.32Å; L10-H12 VanDerWaalsContact C-N 3.29Å; L10-H12 PolarHBondContact O-N 3.04Å; H12-K15 PolarHBondContact O-N 3.21Å; H12-I16 WeakPolarHBondContact O-CB 3.45Å; H12-I16 WeakPolarHBondContact O-CD1 3.29Å; H12-I16 VanDerWaalsContact O-CG1 3.22Å; H12-I16 WeakPolarHBondContact O-CG1 3.42Å; H12-I16 PolarHBondContact O-N 2.86Å
13V54.4Low45.2Very low74 Ų7495.9 Ų95.945%0.44852%0.518SS..Hα-helixtrans-62.4-48.8173.4170.70000110.5A9 L10 K15 I16 Y17A9-V13 WeakPolarHBondContact O-CB 3.34Å; A9-V13 VanDerWaalsContact O-CG2 3.23Å; A9-V13 WeakPolarHBondContact O-CG2 3.42Å; A9-V13 PolarHBondContact O-N 3.27Å; L10-V13 PolarHBondContact O-N 3.23Å; V13-K15 VanDerWaalsContact C-N 3.31Å; V13-K15 PolarHBondContact O-N 2.88Å; V13-I16 PolarHBondContact O-N 3.35Å; V13-Y17 HydrophobicContact CG1-CD2 3.55Å; V13-Y17 HydrophobicContact CG1-CE2 3.48Å; V13-Y17 VanDerWaalsContact CG1-CE2 3.48Å; V13-Y17 WeakPolarHBondContact O-CD2 3.39Å; V13-Y17 PolarHBondContact O-N 2.77Å
14F52.8Low46.2Very low97 Ų9793 Ų9343%0.42549%0.494SS..Hα-helixtrans-59.9-40.3173.8-93.5-81.6000112.1L10 Y17 L18 A122L10-F14 HydrophobicContact CD2-CD2 4.24Å; L10-F14 HydrophobicContact CD2-CE2 3.98Å; L10-F14 HydrophobicContact CG-CD2 4.15Å; L10-F14 HydrophobicContact CG-CE2 4.17Å; L10-F14 WeakPolarHBondContact O-CB 3.33Å; L10-F14 VanDerWaalsContact O-CD2 3.32Å; L10-F14 WeakPolarHBondContact O-CD2 3.45Å; L10-F14 PolarHBondContact O-N 3.44Å; F14-Y17 PolarHBondContact O-N 3.33Å; F14-L18 VanDerWaalsContact O-CB 3.25Å; F14-L18 WeakPolarHBondContact O-CB 3.38Å; F14-L18 WeakPolarHBondContact O-CD1 3.49Å; F14-L18 WeakPolarHBondContact O-CG 3.35Å; F14-L18 PolarHBondContact O-N 3.42Å; F14-A122 HydrophobicContact CD1-CB 4.45Å; F14-A122 HydrophobicContact CE1-CB 3.83Å
15K51.3Low47.4Very low131 Ų13192.5 Ų92.557%0.5750%0.497SS*.Hα-helixtrans-63.5-46.4177.1-172177.6-179.8-179.20111.1V11 H12 V13 L18 T19V11-K15 WeakPolarHBondContact O-CB 3.3Å; V11-K15 PolarHBondContact O-N 3.29Å; H12-K15 PolarHBondContact O-N 3.21Å; V13-K15 VanDerWaalsContact C-N 3.31Å; V13-K15 PolarHBondContact O-N 2.88Å; K15-L18 PolarHBondContact O-N 3.29Å; K15-T19 WeakPolarHBondContact O-CB 3.27Å; K15-T19 WeakPolarHBondContact O-CG2 3.44Å; K15-T19 PolarHBondContact O-N 3.42Å; K15-T19 PolarHBondContact O-OG1 3.48Å
16I55.8Low49.6Very low95 Ų9589 Ų8949%0.48747%0.473SS..Hα-helixtrans-59.8-47.2176.9-69.7163.7000110.4H12 V13 L18 T19 A20H12-I16 WeakPolarHBondContact O-CB 3.45Å; H12-I16 WeakPolarHBondContact O-CD1 3.29Å; H12-I16 VanDerWaalsContact O-CG1 3.22Å; H12-I16 WeakPolarHBondContact O-CG1 3.42Å; H12-I16 PolarHBondContact O-N 2.86Å; V13-I16 PolarHBondContact O-N 3.35Å; I16-L18 PolarHBondContact O-N 3.44Å; I16-T19 WeakPolarHBondContact CA-OG1 3.48Å; I16-T19 PolarHBondContact O-N 3.37Å; I16-T19 PolarHBondContact O-OG1 2.93Å; I16-A20 PolarHBondContact O-N 3.23Å; I16-A20 VanDerWaalsContact O-N 3.07Å
17Y51.7Low51.4Low95 Ų9593.6 Ų93.637%0.37349%0.486SS..Hα-helixtrans-67.8-33.6179-78.6-60.8000113.7V13 F14 Y22 P125V13-Y17 HydrophobicContact CG1-CD2 3.55Å; V13-Y17 HydrophobicContact CG1-CE2 3.48Å; V13-Y17 VanDerWaalsContact CG1-CE2 3.48Å; V13-Y17 WeakPolarHBondContact O-CD2 3.39Å; V13-Y17 PolarHBondContact O-N 2.77Å; F14-Y17 PolarHBondContact O-N 3.33Å; Y17-Y22 HydrophobicContact CD1-CE2 4.45Å; Y17-P125 HydrophobicContact CD1-CB 4.35Å; Y17-P125 HydrophobicContact CD1-CG 3.26Å; Y17-P125 HydrophobicContact CE1-CB 3.79Å; Y17-P125 HydrophobicContact CE1-CG 3.17Å; Y17-P125 HydrophobicContact CG-CG 4.35Å
18L51.3Low53.3Low73 Ų7393.5 Ų93.538%0.38250%0.501SS..Hα-helixtrans-75.6-24.8175.3-71.2168.1000113.2F14 K15 I16 L118 R121F14-L18 VanDerWaalsContact O-CB 3.25Å; F14-L18 WeakPolarHBondContact O-CB 3.38Å; F14-L18 WeakPolarHBondContact O-CD1 3.49Å; F14-L18 WeakPolarHBondContact O-CG 3.35Å; F14-L18 PolarHBondContact O-N 3.42Å; K15-L18 PolarHBondContact O-N 3.29Å; I16-L18 PolarHBondContact O-N 3.44Å; L18-L118 HydrophobicContact CD1-CD1 4.24Å; L18-L118 HydrophobicContact CD2-CD1 3.57Å; L18-R121 HydrophobicContact CD2-CB 4.36Å
19T46.3Very low55.6Low98 Ų9891.2 Ų91.260%0.60149%0.488SS*.Hα-helixtrans-88.9-15.4176.650.10000114.3K15 I16 S21K15-T19 WeakPolarHBondContact O-CB 3.27Å; K15-T19 WeakPolarHBondContact O-CG2 3.44Å; K15-T19 PolarHBondContact O-N 3.42Å; K15-T19 PolarHBondContact O-OG1 3.48Å; I16-T19 WeakPolarHBondContact CA-OG1 3.48Å; I16-T19 PolarHBondContact O-N 3.37Å; I16-T19 PolarHBondContact O-OG1 2.93Å; T19-S21 PolarHBondContact O-N 2.88Å
20A45.2Very low58Low39 Ų3993.2 Ų93.232%0.32250%0.497SS..SBendtrans-73120.6176.500000110.2I16 Y22I16-A20 PolarHBondContact O-N 3.23Å; I16-A20 VanDerWaalsContact O-N 3.07Å; A20-Y22 VanDerWaalsContact C-N 3.29Å; A20-Y22 HydrophobicContact CB-CD2 3.7Å; A20-Y22 HydrophobicContact CB-CE2 3.2Å; A20-Y22 WeakPolarHBondContact O-CD2 3.09Å; A20-Y22 PolarHBondContact O-N 3.02Å
21S40.8Very low60.5Low116 Ų11692.6 Ų92.681%0.81150%0.497SS*.  trans-79.978178.8-60.10000109.6T19 T23T19-S21 PolarHBondContact O-N 2.88Å; S21-T23 PolarHBondContact O-N 2.94Å
22Y48.7Very low62.4Low84 Ų8490.1 Ų90.133%0.32949%0.486SS..  trans-81.1103.1172.4-65.3-76000108.9Y17 A20 Y24 L124 P125 Q128Y17-Y22 HydrophobicContact CD1-CE2 4.45Å; A20-Y22 VanDerWaalsContact C-N 3.29Å; A20-Y22 HydrophobicContact CB-CD2 3.7Å; A20-Y22 HydrophobicContact CB-CE2 3.2Å; A20-Y22 WeakPolarHBondContact O-CD2 3.09Å; A20-Y22 PolarHBondContact O-N 3.02Å; Y22-Y24 PolarHBondContact O-N 2.98Å; Y22-L124 HydrophobicContact CD2-CD2 4.14Å; Y22-L124 HydrophobicContact CD2-CG 4.35Å; Y22-L124 HydrophobicContact CG-CD2 3.96Å; Y22-L124 HydrophobicContact CG-CG 4.14Å; Y22-P125 HydrophobicContact CE2-CG 4.12Å; Y22-Q128 VanDerWaalsContact CD1-OE1 3.23Å
23T47Very low64.8Low118 Ų11885 Ų8572%0.72446%0.462SS*.  trans-78.8106.5172.736.80000109.2S21 T25S21-T23 PolarHBondContact O-N 2.94Å; T23-T25 PolarHBondContact O-N 3.48Å
24Y52.6Low66.8Low52 Ų5286 Ų8620%0.20446%0.457CS..  trans-69.6101.7171.5-146.7-90.3000108.1Y22 F26 L124 R142 D154 E185 G209Y22-Y24 PolarHBondContact O-N 2.98Å; Y24-F26 HydrophobicContact CD1-CB 3.37Å; Y24-F26 HydrophobicContact CD1-CG 4.4Å; Y24-F26 HydrophobicContact CE1-CB 3.61Å; Y24-F26 HydrophobicContact CE1-CG 4.27Å; Y24-F26 PolarHBondContact O-N 2.92Å; Y24-L124 HydrophobicContact CD2-CD1 3.51Å; Y24-L124 HydrophobicContact CE2-CD1 3.78Å; Y24-R142 VanDerWaalsContact CZ-NH2 3.28Å; Y24-R142 PolarHBondContact OH-NH2 2.97Å; Y24-D154 PolarHBondContact OH-OD2 2.79Å; Y24-E185 PolarHBondContact OH-OE1 3.44Å; Y24-G209 PolarHBondContact OH-N 2.98Å
25T63.7Low68.7Low98 Ų9884.1 Ų84.160%0.60145%0.448SS*.G310 helixtrans-64.5-1.6-175.936.20000114.1T23 R27 G28T23-T25 PolarHBondContact O-N 3.48Å; T25-R27 VanDerWaalsContact C-N 3.29Å; T25-R27 PolarHBondContact O-N 3.21Å; T25-G28 PolarHBondContact O-N 3.43Å
26F76.6Confident70.6Confident4 Ų480.5 Ų80.52%0.01843%0.434CS..G310 helixtrans-59-33.8-177.9-172-107.3000114Y24 G28 W29 K144 E152 D154 G209Y24-F26 HydrophobicContact CD1-CB 3.37Å; Y24-F26 HydrophobicContact CD1-CG 4.4Å; Y24-F26 HydrophobicContact CE1-CB 3.61Å; Y24-F26 HydrophobicContact CE1-CG 4.27Å; Y24-F26 PolarHBondContact O-N 2.92Å; F26-G28 PolarHBondContact O-N 3.15Å; F26-W29 HydrophobicContact CD2-CB 4.33Å; F26-W29 WeakPolarHBondContact O-CB 3.42Å; F26-W29 PolarHBondContact O-N 3.18Å; F26-K144 HydrophobicContact CE1-CD 4.45Å; F26-K144 HydrophobicContact CE1-CG 4.26Å; F26-K144 HydrophobicContact CE2-CB 3.8Å; F26-K144 HydrophobicContact CE2-CG 4.14Å; F26-K144 HydrophobicContact CZ-CB 3.82Å; F26-K144 HydrophobicContact CZ-CD 4.24Å; F26-K144 HydrophobicContact CZ-CG 3.64Å; F26-K144 WeakPolarHBondContact O-CE 3.34Å; F26-K144 PolarHBondContact O-NZ 2.8Å; F26-E152 HydrophobicContact CE1-CB 3.9Å; F26-E152 HydrophobicContact CZ-CB 4.46Å; F26-D154 HydrophobicContact CD2-CB 4.12Å; F26-D154 HydrophobicContact CE1-CB 4.26Å; F26-D154 HydrophobicContact CE2-CB 3.52Å; F26-D154 WeakPolarHBondContact CE2-OD1 3.36Å; F26-D154 HydrophobicContact CZ-CB 3.6Å; F26-G209 WeakPolarHBondContact CD1-O 3.34Å; F26-G209 WeakPolarHBondContact CE1-O 3.36Å
27R74Confident72.1Confident221 Ų22178.9 Ų78.983%0.83443%0.427SS*.G310 helixtrans-57-37.3-179.5-127.2-176.2-172.2-1722112.5T25 K144T25-R27 VanDerWaalsContact C-N 3.29Å; T25-R27 PolarHBondContact O-N 3.21Å; R27-K144 PolarHBondContact O-NZ 2.96Å; R27-K144 VanDerWaalsContact O-NZ 3.16Å
28G79.9Confident73.2Confident76 Ų7676.2 Ų76.278%0.78442%0.42SS*.G310 helixtrans-88.2-2.9176.300000114.7T25 F26T25-G28 PolarHBondContact O-N 3.43Å; F26-G28 PolarHBondContact O-N 3.15Å
29W85.9Confident73.8Confident100 Ų10080 Ų8038%0.37943%0.43SS..SBendtrans-68136-179.3-159.3-90.3000110.7F26 R142 K144F26-W29 HydrophobicContact CD2-CB 4.33Å; F26-W29 WeakPolarHBondContact O-CB 3.42Å; F26-W29 PolarHBondContact O-N 3.18Å; W29-R142 HydrophobicContact CZ2-CB 4.13Å; W29-K144 WeakPolarHBondContact O-CE 3.49Å; W29-K144 PolarHBondContact O-NZ 3.36Å
30P93.1Very high74.3Confident95 Ų9579.8 Ų79.862%0.61744%0.438SS*.PPolyproline II helixtrans-64.6142.1-178.626.4-34.9000111.4A32P30-A32 PolarHBondContact O-N 3.09Å
31V96Very high74.6Confident69 Ų6981.9 Ų81.942%0.41846%0.455SS..EExtended strand (participates in β ladder)trans-68.2123.5172.1175.50000108.7R34 K144 V146V31-R34 HydrophobicContact CG1-CG 3.74Å; V31-K144 HydrophobicContact CG2-CD 3.86Å; V31-K144 HydrophobicContact CG2-CG 4.44Å; V31-V146 HydrophobicContact CB-CG2 4.41Å; V31-V146 HydrophobicContact CG1-CG2 3.7Å; V31-V146 HydrophobicContact CG2-CG2 3.75Å
32A95.5Very high74.6Confident39 Ų3979.7 Ų79.732%0.32245%0.451SS..EExtended strand (participates in β ladder)trans-92.7-28.6-179.200000112.9P30 A143 K144P30-A32 PolarHBondContact O-N 3.09Å; A32-A143 HydrophobicContact CB-CB 3.81Å; A32-K144 PolarHBondContact N-O 3.47Å
33F97.2Very high74.2Confident12 Ų1278.3 Ų78.35%0.05346%0.462CS..EExtended strand (participates in β ladder)trans-163149.3-178.3-172.4-100.8000110.9D37 V38 L145 V146 V225 Q228 Y229 H232 R233F33-D37 WeakPolarHBondContact CA-OD2 3.35Å; F33-D37 HydrophobicContact CD2-CB 4.24Å; F33-D37 HydrophobicContact CE2-CB 3.92Å; F33-D37 HydrophobicContact CZ-CB 4.35Å; F33-V38 HydrophobicContact CZ-CG2 3.88Å; F33-L145 HydrophobicContact CB-CD2 3.85Å; F33-L145 CarbonylContact O-C 3.49Å; F33-L145 WeakPolarHBondContact O-CA 3.36Å; F33-V146 PolarHBondContact O-N 2.89Å; F33-V225 HydrophobicContact CD1-CG2 3.81Å; F33-V225 HydrophobicContact CE1-CG2 4.15Å; F33-Q228 HydrophobicContact CE1-CB 3.72Å; F33-Q228 HydrophobicContact CZ-CB 4.05Å; F33-Y229 HydrophobicContact CB-CD2 3.5Å; F33-Y229 HydrophobicContact CB-CE2 4.04Å; F33-Y229 HydrophobicContact CB-CG 4.45Å; F33-Y229 HydrophobicContact CD1-CD2 4.18Å; F33-Y229 HydrophobicContact CD2-CD2 4.29Å; F33-Y229 AromaticContact CG-CD2 3.76Å; F33-Y229 HydrophobicContact CG-CD2 3.76Å; F33-H232 HydrophobicContact CE2-CB 4.38Å; F33-H232 HydrophobicContact CZ-CB 4.32Å; F33-R233 HydrophobicContact CD2-CB 3.92Å; F33-R233 HydrophobicContact CD2-CG 4.39Å; F33-R233 HydrophobicContact CE2-CB 4.2Å
34R97.1Very high73.7Confident93 Ų9378.8 Ų78.835%0.35147%0.47SS..EExtended strand (participates in β ladder)trans-127.4151177.2-50.8174.458.183.10.5110.4V31 D36 D37 V146V31-R34 HydrophobicContact CG1-CG 3.74Å; R34-D36 WeakPolarHBondContact CB-OD1 3.45Å; R34-D36 IonicContact CZ-OD1 2.91Å; R34-D36 IonicContact NE-OD1 3.47Å; R34-D36 PolarHBondContact NE-OD1 2.92Å; R34-D36 VanDerWaalsContact NE-OD1 3.1Å; R34-D36 PolarHBondContact O-N 3.22Å; R34-D36 VanDerWaalsContact O-N 3.09Å; R34-D37 PolarHBondContact N-OD2 2.85Å; R34-D37 WeakPolarHBondContact O-CB 3.37Å; R34-D37 PolarHBondContact O-N 2.93Å; R34-D37 VanDerWaalsContact O-N 3.11Å; R34-V146 HydrophobicContact CB-CB 4.47Å; R34-V146 HydrophobicContact CG-CB 4.22Å
35W93.4Very high73Confident58 Ų5879.2 Ų79.222%0.2248%0.481CS..THydrogen-bonded Turntrans-57-23.417776.7-80.6000114V146 A147 C148 V225 Q228W35-V146 PolarHBondContact N-O 3.28Å; W35-A147 VanDerWaalsContact CD1-C 3.48Å; W35-C148 HydrophobicContact CB-CB 4.41Å; W35-C148 VanDerWaalsContact CD1-CA 3.42Å; W35-C148 HydrophobicContact CD2-CB 3.48Å; W35-C148 VanDerWaalsContact CD2-CB 3.48Å; W35-C148 HydrophobicContact CE3-CB 3.85Å; W35-C148 HydrophobicContact CG-CB 3.72Å; W35-C148 HydrophobicContact CZ2-CB 4.23Å; W35-C148 HydrophobicContact CZ3-CB 4.36Å; W35-V225 HydrophobicContact CB-CB 4.28Å; W35-V225 HydrophobicContact CB-CG2 4.25Å; W35-Q228 PolarHBondContact O-OE1 3.17Å; W35-Q228 VanDerWaalsContact O-OE1 3.13Å
36D91Very high71.7Confident55 Ų5580 Ų8029%0.29449%0.49SS..THydrogen-bonded Turntrans-94.8-6.7-17954.3-18000114.3R34 V38 R39 A40R34-D36 WeakPolarHBondContact CB-OD1 3.45Å; R34-D36 IonicContact CZ-OD1 2.91Å; R34-D36 IonicContact NE-OD1 3.47Å; R34-D36 PolarHBondContact NE-OD1 2.92Å; R34-D36 VanDerWaalsContact NE-OD1 3.1Å; R34-D36 PolarHBondContact O-N 3.22Å; R34-D36 VanDerWaalsContact O-N 3.09Å; D36-V38 VanDerWaalsContact C-N 3.25Å; D36-V38 PolarHBondContact O-N 3.16Å; D36-R39 PolarHBondContact O-N 3.09Å; D36-R39 VanDerWaalsContact O-N 3.13Å; D36-A40 PolarHBondContact O-N 3.24Å
37D86.1Confident70Confident62 Ų6286.2 Ų86.233%0.33252%0.519SS..Hα-helixtrans-60.1-34.4-178.2-73.4-15.4000112.3F33 R34 R39 A40 A41F33-D37 WeakPolarHBondContact CA-OD2 3.35Å; F33-D37 HydrophobicContact CD2-CB 4.24Å; F33-D37 HydrophobicContact CE2-CB 3.92Å; F33-D37 HydrophobicContact CZ-CB 4.35Å; R34-D37 PolarHBondContact N-OD2 2.85Å; R34-D37 WeakPolarHBondContact O-CB 3.37Å; R34-D37 PolarHBondContact O-N 2.93Å; R34-D37 VanDerWaalsContact O-N 3.11Å; D37-R39 VanDerWaalsContact C-N 3.35Å; D37-R39 PolarHBondContact O-N 3.25Å; D37-A40 PolarHBondContact O-N 3.14Å; D37-A41 PolarHBondContact O-N 3.01Å
38V75.3Confident68.3Low38 Ų3887.2 Ų87.223%0.2352%0.523CS..Hα-helixtrans-67.5-35.5-179.8-174.10000111.8F33 D36 H232F33-V38 HydrophobicContact CZ-CG2 3.88Å; D36-V38 VanDerWaalsContact C-N 3.25Å; D36-V38 PolarHBondContact O-N 3.16Å; V38-H232 HydrophobicContact CG2-CB 4.25Å; V38-H232 VanDerWaalsContact CG2-CD2 3.4Å; V38-H232 WeakPolarHBondContact CG2-CD2 3.28Å
39R64.6Low66.5Low154 Ų15485.5 Ų85.558%0.58150%0.502SS*.Hα-helixtrans-74.9-34.9179.9-67.8-177178.8177.61.9111.9D36 D37 A41D36-R39 PolarHBondContact O-N 3.09Å; D36-R39 VanDerWaalsContact O-N 3.13Å; D37-R39 VanDerWaalsContact C-N 3.35Å; D37-R39 PolarHBondContact O-N 3.25Å; R39-A41 PolarHBondContact O-N 3.12Å
40A55.7Low64.3Low93 Ų9385 Ų8577%0.76951%0.505SS*.Hα-helixtrans-67.7-25.117800000112.9D36 D37 G42D36-A40 PolarHBondContact O-N 3.24Å; D37-A40 PolarHBondContact O-N 3.14Å; A40-G42 VanDerWaalsContact C-N 3.34Å; A40-G42 PolarHBondContact O-N 3.31Å
41A52.5Low61.9Low83 Ų8384 Ų8469%0.68650%0.498SS*.THydrogen-bonded Turntrans-83.84.5-177.100000115.3D37 R39 G43D37-A41 PolarHBondContact O-N 3.01Å; R39-A41 PolarHBondContact O-N 3.12Å; A41-G43 PolarHBondContact O-N 3.35Å; A41-G43 VanDerWaalsContact O-N 3.16Å
42G40.6Very low59.2Low70 Ų7082.3 Ų82.372%0.72249%0.489SS*.THydrogen-bonded Turntrans67.61317400000115.8A40 S44A40-G42 VanDerWaalsContact C-N 3.34Å; A40-G42 PolarHBondContact O-N 3.31Å; G42-S44 PolarHBondContact O-N 3.18Å
43G39.8Very low56.3Low55 Ų5584 Ų8457%0.56750%0.503SS*.  trans-72.7109-179.500000112.5A41 S45A41-G43 PolarHBondContact O-N 3.35Å; A41-G43 VanDerWaalsContact O-N 3.16Å; G43-S45 PolarHBondContact O-N 2.99Å
44S37.5Very low53.5Low127 Ų12785 Ų8589%0.88851%0.513SS*.  trans-63.796.4159170.70000108.5G42G42-S44 PolarHBondContact O-N 3.18Å
45S38.3Very low50.8Low61 Ų6180.9 Ų80.943%0.42750%0.499SS..  trans-90.5117.7173.1172.50000109.5G43 H47G43-S45 PolarHBondContact O-N 2.99Å; S45-H47 PolarHBondContact O-N 3.45Å; S45-H47 PolarHBondContact OG-N 3.49Å; S45-H47 VanDerWaalsContact OG-N 3.12Å; S45-H47 PolarHBondContact OG-O 3.19Å
46S36.6Very low48.3Very low115 Ų11579.1 Ų79.180%0.80450%0.497SS*.SBendtrans-66.9-9.516750.80000113R48S46-R48 PolarHBondContact O-N 3.04Å
47H41Very low45.9Very low135 Ų13578.4 Ų78.463%0.62550%0.498SS*.SBendtrans-88.994.4167-60-69.1000108.8S45 A49S45-H47 PolarHBondContact O-N 3.45Å; S45-H47 PolarHBondContact OG-N 3.49Å; S45-H47 VanDerWaalsContact OG-N 3.12Å; S45-H47 PolarHBondContact OG-O 3.19Å; H47-A49 PolarHBondContact O-N 2.94Å
48R38.3Very low43.9Very low241 Ų24176.4 Ų76.491%0.90949%0.493SS*.  trans-67.484.2167.9-84-175.9176.3176.50.8109S46 L50S46-R48 PolarHBondContact O-N 3.04Å; R48-L50 PolarHBondContact O-N 3.4Å
49A41.3Very low42.5Very low41 Ų4175.8 Ų75.834%0.33949%0.489SS..PPolyproline II helixtrans-55.2127.2155.500000107H47 T51 Y260H47-A49 PolarHBondContact O-N 2.94Å; A49-T51 PolarHBondContact O-N 2.81Å; A49-T51 VanDerWaalsContact O-N 3.12Å; A49-Y260 HydrophobicContact CB-CE1 3.82Å
50L39.7Very low41.1Very low88 Ų8875.4 Ų75.446%0.46149%0.488SS..PPolyproline II helixtrans-52.7124.2174.4-76.6157.1000107.3R48 A54 A55 T259R48-L50 PolarHBondContact O-N 3.4Å; L50-A54 HydrophobicContact CB-CB 4.05Å; L50-A54 HydrophobicContact CD2-CB 3.68Å; L50-A54 HydrophobicContact CG-CB 4.5Å; L50-A55 HydrophobicContact CB-CB 4.33Å; L50-T259 HydrophobicContact CB-CG2 4.44Å
51T41.5Very low40Very low74 Ų7476.4 Ų76.445%0.45448%0.479SS..PPolyproline II helixtrans-53.8150.5176.7580000109.1A49 A53 A54 A55A49-T51 PolarHBondContact O-N 2.81Å; A49-T51 VanDerWaalsContact O-N 3.12Å; T51-A53 CarbonylContact O-C 3.43Å; T51-A53 PolarHBondContact O-N 3.22Å; T51-A54 CarbonylContact O-C 3.48Å; T51-A54 WeakPolarHBondContact O-CA 3.26Å; T51-A54 WeakPolarHBondContact O-CB 3.37Å; T51-A54 PolarHBondContact O-N 3.1Å; T51-A54 PolarHBondContact OG1-N 2.96Å; T51-A55 PolarHBondContact O-N 3.39Å
52C41.3Very low39.4Very low35 Ų3573.8 Ų73.824%0.23645%0.454CS..Hα-helixtrans-51.5-29.6-179.6-51.60000112.9A56C52-A56 WeakPolarHBondContact O-CB 3.38Å; C52-A56 PolarHBondContact O-N 3.45Å
53A34.6Very low39.3Very low74 Ų7473.3 Ų73.361%0.61243%0.43SS*.Hα-helixtrans-68.4-39.1171.600000113.3T51 A57T51-A53 CarbonylContact O-C 3.43Å; T51-A53 PolarHBondContact O-N 3.22Å; A53-A57 WeakPolarHBondContact O-CB 3.45Å; A53-A57 PolarHBondContact O-N 3.15Å
54A37.4Very low38.8Very low33 Ų3376.3 Ų76.327%0.27343%0.433SS..Hα-helixtrans-76-32.6175.400000112.9L50 T51 A57 G58L50-A54 HydrophobicContact CB-CB 4.05Å; L50-A54 HydrophobicContact CD2-CB 3.68Å; L50-A54 HydrophobicContact CG-CB 4.5Å; T51-A54 CarbonylContact O-C 3.48Å; T51-A54 WeakPolarHBondContact O-CA 3.26Å; T51-A54 WeakPolarHBondContact O-CB 3.37Å; T51-A54 PolarHBondContact O-N 3.1Å; T51-A54 PolarHBondContact OG1-N 2.96Å; A54-A57 CarbonylContact O-C 3.13Å; A54-A57 PolarHBondContact O-N 3.05Å; A54-G58 PolarHBondContact O-N 2.88Å
55A40Very low38.8Very low6 Ų677.3 Ų77.35%0.0542%0.424CS..Hα-helixtrans-74.1-39.8173.500000111.8L50 T51 G58 V59 W255L50-A55 HydrophobicContact CB-CB 4.33Å; T51-A55 PolarHBondContact O-N 3.39Å; A55-G58 PolarHBondContact O-N 3.01Å; A55-V59 WeakPolarHBondContact O-CG2 3.41Å; A55-V59 PolarHBondContact O-N 3.32Å; A55-V59 VanDerWaalsContact O-N 3.07Å; A55-W255 HydrophobicContact CB-CZ2 3.75Å
56A41.2Very low38.6Very low21 Ų2176.2 Ų76.217%0.17442%0.418CS..Hα-helixtrans-59.9-49.1165.600000109.9C52 G58 V59 W60C52-A56 WeakPolarHBondContact O-CB 3.38Å; C52-A56 PolarHBondContact O-N 3.45Å; A56-G58 PolarHBondContact O-N 2.87Å; A56-V59 WeakPolarHBondContact O-CB 3.37Å; A56-V59 PolarHBondContact O-N 3.49Å; A56-W60 PolarHBondContact O-N 3.27Å
57A39.9Very low38.5Very low40 Ų4076.6 Ų76.633%0.33141%0.411SS..Hα-helixtrans-58.9-33.6176.100000112.4A53 A54 W60 L61A53-A57 WeakPolarHBondContact O-CB 3.45Å; A53-A57 PolarHBondContact O-N 3.15Å; A54-A57 CarbonylContact O-C 3.13Å; A54-A57 PolarHBondContact O-N 3.05Å; A57-W60 CarbonylContact O-C 3.55Å; A57-W60 PolarHBondContact O-N 3.43Å; A57-L61 WeakPolarHBondContact O-CA 3.45Å; A57-L61 WeakPolarHBondContact O-CB 3.31Å; A57-L61 WeakPolarHBondContact O-CD1 3.43Å; A57-L61 WeakPolarHBondContact O-CG 3.36Å; A57-L61 PolarHBondContact O-N 3.03Å
58G44.2Very low38.3Very low21 Ų2173 Ų7322%0.21641%0.41CS..Hα-helixtrans-64.9-42.1172.600000112.7A54 A55 A56 W60 L61 L62A54-G58 PolarHBondContact O-N 2.88Å; A55-G58 PolarHBondContact O-N 3.01Å; A56-G58 PolarHBondContact O-N 2.87Å; G58-W60 VanDerWaalsContact C-N 3.34Å; G58-L61 PolarHBondContact O-N 2.96Å; G58-L62 WeakPolarHBondContact O-CB 3.44Å; G58-L62 WeakPolarHBondContact O-CD1 3.38Å; G58-L62 VanDerWaalsContact O-CG 3.25Å; G58-L62 WeakPolarHBondContact O-CG 3.38Å; G58-L62 PolarHBondContact O-N 3.11Å
59V47.3Very low37.9Very low24 Ų2465.1 Ų65.115%0.14540%0.404CS..Hα-helixtrans-65.4-36.9172.51760000111.4A55 A56 R63A55-V59 WeakPolarHBondContact O-CG2 3.41Å; A55-V59 PolarHBondContact O-N 3.32Å; A55-V59 VanDerWaalsContact O-N 3.07Å; A56-V59 WeakPolarHBondContact O-CB 3.37Å; A56-V59 PolarHBondContact O-N 3.49Å; V59-R63 WeakPolarHBondContact O-CB 3.43Å; V59-R63 PolarHBondContact O-N 3.49Å
60W34.1Very low37.6Very low146 Ų14670.8 Ų70.855%0.55343%0.429SS*.Hα-helixtrans-75.6-34.5175.9-73.2104000113.5A56 A57 G58 R63 D64A56-W60 PolarHBondContact O-N 3.27Å; A57-W60 CarbonylContact O-C 3.55Å; A57-W60 PolarHBondContact O-N 3.43Å; G58-W60 VanDerWaalsContact C-N 3.34Å; W60-R63 VanDerWaalsContact O-CB 3.31Å; W60-R63 WeakPolarHBondContact O-CB 3.35Å; W60-R63 PolarHBondContact O-N 3.1Å; W60-D64 PolarHBondContact O-N 3.48Å; W60-D64 VanDerWaalsContact O-N 3.1Å
61L32.8Very low37.1Very low114 Ų11469.8 Ų69.860%0.59743%0.433SS*.Hα-helixtrans-69.4-41.8176.5-82160.5000110.7A57 G58 R63 D64 E65A57-L61 WeakPolarHBondContact O-CA 3.45Å; A57-L61 WeakPolarHBondContact O-CB 3.31Å; A57-L61 WeakPolarHBondContact O-CD1 3.43Å; A57-L61 WeakPolarHBondContact O-CG 3.36Å; A57-L61 PolarHBondContact O-N 3.03Å; G58-L61 PolarHBondContact O-N 2.96Å; L61-R63 VanDerWaalsContact C-N 3.27Å; L61-R63 PolarHBondContact O-N 3Å; L61-D64 PolarHBondContact O-N 3.19Å; L61-E65 PolarHBondContact O-N 3.46Å
62L39.6Very low36.7Very low29 Ų2975.6 Ų75.615%0.15246%0.46CS..Hα-helixtrans-65.9-30.8172.1-68167.5000111.7G58 D64 A66 M258 N302 E305G58-L62 WeakPolarHBondContact O-CB 3.44Å; G58-L62 WeakPolarHBondContact O-CD1 3.38Å; G58-L62 VanDerWaalsContact O-CG 3.25Å; G58-L62 WeakPolarHBondContact O-CG 3.38Å; G58-L62 PolarHBondContact O-N 3.11Å; L62-D64 VanDerWaalsContact C-N 3.35Å; L62-A66 VanDerWaalsContact O-CB 3.25Å; L62-A66 WeakPolarHBondContact O-CB 3.32Å; L62-A66 PolarHBondContact O-N 2.82Å; L62-M258 HydrophobicContact CD1-SD 4.39Å; L62-N302 WeakPolarHBondContact CB-ND2 3.37Å; L62-N302 WeakPolarHBondContact CD1-ND2 3.38Å; L62-E305 HydrophobicContact CD2-CB 4.31Å
63R38.3Very low36.3Very low59 Ų5977.4 Ų77.422%0.22349%0.485CS..Hα-helixtrans-64.6-36.7171.6-177.8-175.8176.6159.55.9112.2V59 W60 L61 L67 E297V59-R63 WeakPolarHBondContact O-CB 3.43Å; V59-R63 PolarHBondContact O-N 3.49Å; W60-R63 VanDerWaalsContact O-CB 3.31Å; W60-R63 WeakPolarHBondContact O-CB 3.35Å; W60-R63 PolarHBondContact O-N 3.1Å; L61-R63 VanDerWaalsContact C-N 3.27Å; L61-R63 PolarHBondContact O-N 3Å; R63-L67 WeakPolarHBondContact O-CD1 3.47Å; R63-L67 WeakPolarHBondContact O-CG 3.38Å; R63-L67 PolarHBondContact O-N 3.12Å; R63-E297 PolarHBondContact NH1-O 3.41Å; R63-E297 VanDerWaalsContact NH1-O 3.16Å; R63-E297 PolarHBondContact NH2-O 3.09Å
64D30.1Very low36.1Very low118 Ų11883.1 Ų83.163%0.63149%0.491SS*.Hα-helixtrans-73.7-36.9176.5-90.4-9.4000112.7W60 L61 L62 L67W60-D64 PolarHBondContact O-N 3.48Å; W60-D64 VanDerWaalsContact O-N 3.1Å; L61-D64 PolarHBondContact O-N 3.19Å; L62-D64 VanDerWaalsContact C-N 3.35Å; D64-L67 PolarHBondContact O-N 2.86Å
65E36.4Very low35.7Very low149 Ų14986.6 Ų86.670%0.69651%0.511SS*.Hα-helixtrans-69.6-39.5172.7-74.1-148152.300112.8L61 L67 G68L61-E65 PolarHBondContact O-N 3.46Å; E65-L67 PolarHBondContact O-N 3.38Å; E65-G68 CarbonylContact O-C 3.59Å; E65-G68 WeakPolarHBondContact O-CA 3.25Å; E65-G68 PolarHBondContact O-N 3.42Å
66A34.3Very low35.4Very low37 Ų3792.4 Ų92.431%0.30655%0.548SS..Hα-helixtrans-65.5-21176.900000113.3L62 G68L62-A66 VanDerWaalsContact O-CB 3.25Å; L62-A66 WeakPolarHBondContact O-CB 3.32Å; L62-A66 PolarHBondContact O-N 2.82Å; A66-G68 VanDerWaalsContact C-N 3.33Å
67L35Very low35.3Very low123 Ų123102.2 Ų102.264%0.64458%0.581SS**THydrogen-bonded Turntrans-86.3-1.3170.9-72.8167.2000113R63 D64 E65R63-L67 WeakPolarHBondContact O-CD1 3.47Å; R63-L67 WeakPolarHBondContact O-CG 3.38Å; R63-L67 PolarHBondContact O-N 3.12Å; D64-L67 PolarHBondContact O-N 2.86Å; E65-L67 PolarHBondContact O-N 3.38Å
68G36.4Very low35.4Very low59 Ų59103.3 Ų103.361%0.60860%0.596SS**  trans-134.643.7-168.300000115.4E65 A66E65-G68 CarbonylContact O-C 3.59Å; E65-G68 WeakPolarHBondContact O-CA 3.25Å; E65-G68 PolarHBondContact O-N 3.42Å; A66-G68 VanDerWaalsContact C-N 3.33Å
69G29.5Very low35.4Very low76 Ų76109.6 Ų109.678%0.78463%0.63SS**  trans-103.265.9177.300000115.2
70D35.7Very low35.7Very low160 Ų160117.1 Ų117.186%0.85666%0.655SS**  trans-179.7107.6142.2-131.2-5.9000110.3
71A30.2Very low37Very low68 Ų68113 Ų11356%0.56265%0.649SS**  trans-175.971.2158.100000113G73A71-G73 VanDerWaalsContact C-N 3.32Å; A71-G73 PolarHBondContact O-N 2.94Å
72L33.4Very low38.1Very low195 Ų195115.7 Ų115.7100%1.02166%0.659SS**THydrogen-bonded Turntrans-76.992.9146.8-99.6156.5000107.1
73G32.4Very low39.2Very low74 Ų74117.1 Ų117.176%0.76367%0.674SS**THydrogen-bonded Turntrans132.841.3171.500000117.5A71A71-G73 VanDerWaalsContact C-N 3.32Å; A71-G73 PolarHBondContact O-N 2.94Å
74R30.6Very low40.3Very low193 Ų193119.9 Ų119.973%0.72869%0.69SS**  trans-108.1134.1167.8-100.1-178.2172.6160.7-0.8112.1
75P28.5Very low41.9Very low106 Ų106117.4 Ų117.469%0.68868%0.681SS**  trans-68.1162.317531.3-33.1000110.2R77P75-R77 PolarHBondContact O-N 3.47Å
76P32.8Very low43.5Very low129 Ų129115 Ų11584%0.83867%0.672SS**  trans-55.8129.4-172.821.4-32.4000111.2G78P76-G78 PolarHBondContact O-N 3.28Å; P76-G78 VanDerWaalsContact O-N 3.08Å
77R40.1Very low45.4Very low227 Ų227119.1 Ų119.186%0.85769%0.688SS**  trans-61.5110.8179.9-82.7179.5172.5164.5-1.3109.4P75P75-R77 PolarHBondContact O-N 3.47Å
78G42.6Very low47Very low62 Ų62117.3 Ų117.364%0.63968%0.677SS**  trans-57.5145.6166.700000111.3P76 R80P76-G78 PolarHBondContact O-N 3.28Å; P76-G78 VanDerWaalsContact O-N 3.08Å; G78-R80 PolarHBondContact O-N 3.48Å
79V44.2Very low48.7Very low154 Ų154119.5 Ų119.593%0.93367%0.671SS**  trans-56.8103.1178.9-174.70000109.2
80R52.5Low51Low182 Ų182121.4 Ų121.469%0.68766%0.663SS**  trans-70136.8173.9-82-180170.4-175.2-5.2109.3G78G78-R80 PolarHBondContact O-N 3.48Å
81S61.6Low53.1Low60 Ų60124.3 Ų124.342%0.4266%0.662SS.*  trans-68.1142.3178.5740000111.1A83 Q84 C85S81-A83 PolarHBondContact O-N 3.13Å; S81-A83 VanDerWaalsContact O-N 3.14Å; S81-Q84 PolarHBondContact O-N 3.33Å; S81-Q84 WeakPolarHBondContact OG-CG 3.49Å; S81-C85 PolarHBondContact O-N 2.93Å
82Q56.6Low55.6Low170 Ų170124.4 Ų124.479%0.79465%0.65SS**Hα-helixtrans-53.5-34.4179.5-81.9176-17.100113Q84 C85 L86Q82-Q84 PolarHBondContact O-N 2.99Å; Q82-C85 WeakPolarHBondContact O-CB 3.46Å; Q82-C85 PolarHBondContact O-N 2.94Å; Q82-L86 PolarHBondContact O-N 3.34Å
83A61.2Low58.1Low58 Ų58118.8 Ų118.848%0.47962%0.621SS.*Hα-helixtrans-65-36.8177.600000113.2S81 C85 L86 L87S81-A83 PolarHBondContact O-N 3.13Å; S81-A83 VanDerWaalsContact O-N 3.14Å; A83-C85 VanDerWaalsContact C-N 3.32Å; A83-L86 PolarHBondContact O-N 3.4Å; A83-L87 WeakPolarHBondContact O-CB 3.39Å; A83-L87 WeakPolarHBondContact O-CG 3.33Å; A83-L87 PolarHBondContact O-N 2.74Å
84Q61.9Low60.8Low118 Ų118119.4 Ų119.455%0.55161%0.611SS**Hα-helixtrans-70-32.4175.1-71.9175.2-5.300111.6S81 Q82 Q88S81-Q84 PolarHBondContact O-N 3.33Å; S81-Q84 WeakPolarHBondContact OG-CG 3.49Å; Q82-Q84 PolarHBondContact O-N 2.99Å; Q84-Q88 WeakPolarHBondContact O-CB 3.48Å; Q84-Q88 PolarHBondContact O-N 2.95Å; Q84-Q88 VanDerWaalsContact O-N 3.12Å
85C64.9Low63.5Low65 Ų65111.4 Ų111.444%0.43959%0.589SS.*Hα-helixtrans-68.2-44.8174.1-165.30000111.6S81 Q82 A83 Q88 Q89S81-C85 PolarHBondContact O-N 2.93Å; Q82-C85 WeakPolarHBondContact O-CB 3.46Å; Q82-C85 PolarHBondContact O-N 2.94Å; A83-C85 VanDerWaalsContact C-N 3.32Å; C85-Q88 PolarHBondContact O-N 3.43Å; C85-Q89 WeakPolarHBondContact O-CG 3.38Å; C85-Q89 PolarHBondContact O-N 3.39Å
86L69.8Low66.3Low100 Ų100109.9 Ų109.952%0.52457%0.573SS.*Hα-helixtrans-62.7-44.7176-82.4157.4000112.9Q82 A83 Q88 Q89 L90Q82-L86 PolarHBondContact O-N 3.34Å; A83-L86 PolarHBondContact O-N 3.4Å; L86-Q88 VanDerWaalsContact C-N 3.28Å; L86-Q88 PolarHBondContact O-N 3Å; L86-Q89 PolarHBondContact O-N 3Å; L86-L90 WeakPolarHBondContact O-CG 3.48Å; L86-L90 PolarHBondContact O-N 3.14Å
87L73Confident69.1Low122 Ų122108.8 Ų108.864%0.63956%0.559SS**Hα-helixtrans-61.9-38175.5-82.6162000112A83 R91A83-L87 WeakPolarHBondContact O-CB 3.39Å; A83-L87 WeakPolarHBondContact O-CG 3.33Å; A83-L87 PolarHBondContact O-N 2.74Å; L87-R91 WeakPolarHBondContact O-CB 3.38Å; L87-R91 PolarHBondContact O-N 3.09Å; L87-R91 VanDerWaalsContact O-N 3.1Å
88Q70.2Confident71.6Confident86 Ų86100 Ų10040%0.40254%0.535SS..Hα-helixtrans-67.1-43.1175.5-170.8177-15.200111.4Q84 C85 L86 L90 R91 E92Q84-Q88 WeakPolarHBondContact O-CB 3.48Å; Q84-Q88 PolarHBondContact O-N 2.95Å; Q84-Q88 VanDerWaalsContact O-N 3.12Å; C85-Q88 PolarHBondContact O-N 3.43Å; L86-Q88 VanDerWaalsContact C-N 3.28Å; L86-Q88 PolarHBondContact O-N 3Å; Q88-L90 PolarHBondContact O-N 3.27Å; Q88-R91 PolarHBondContact O-N 3.39Å; Q88-E92 WeakPolarHBondContact CG-OE1 3.46Å; Q88-E92 PolarHBondContact NE2-OE1 3.12Å; Q88-E92 WeakPolarHBondContact O-CG 3.43Å; Q88-E92 PolarHBondContact O-N 2.86Å
89Q70.3Confident73.9Confident104 Ų10497 Ų9749%0.48651%0.505SS..Hα-helixtrans-60-45.6175.5-75.2177.7-29.600112.4C85 L86 R91 E92 L93C85-Q89 WeakPolarHBondContact O-CG 3.38Å; C85-Q89 PolarHBondContact O-N 3.39Å; L86-Q89 PolarHBondContact O-N 3Å; Q89-R91 VanDerWaalsContact C-N 3.31Å; Q89-R91 PolarHBondContact O-N 2.73Å; Q89-E92 PolarHBondContact O-N 2.87Å; Q89-L93 PolarHBondContact O-N 3.34Å
90L78.8Confident76.3Confident117 Ų11795.8 Ų95.861%0.61348%0.484SS*.Hα-helixtrans-63.5-36.9177.1-72.9171.7000112.4L86 Q88 E92 L93L86-L90 WeakPolarHBondContact O-CG 3.48Å; L86-L90 PolarHBondContact O-N 3.14Å; Q88-L90 PolarHBondContact O-N 3.27Å; L90-E92 VanDerWaalsContact C-N 3.34Å; L90-L93 WeakPolarHBondContact O-CB 3.41Å
91R78.7Confident78.3Confident221 Ų22189.8 Ų89.883%0.83447%0.473SS*.Hα-helixtrans-69.8-31.1177.8-169.9176.4179.9176.30.5112.6L87 Q88 Q89L87-R91 WeakPolarHBondContact O-CB 3.38Å; L87-R91 PolarHBondContact O-N 3.09Å; L87-R91 VanDerWaalsContact O-N 3.1Å; Q88-R91 PolarHBondContact O-N 3.39Å; Q89-R91 VanDerWaalsContact C-N 3.31Å; Q89-R91 PolarHBondContact O-N 2.73Å
92E84.1Confident79.7Confident69 Ų6988 Ų8832%0.32246%0.459SS..Hα-helixtrans-84.1-20.3179.2-70.5178.6-162.100113.3Q88 Q89 L90 G95 Q96Q88-E92 WeakPolarHBondContact CG-OE1 3.46Å; Q88-E92 PolarHBondContact NE2-OE1 3.12Å; Q88-E92 WeakPolarHBondContact O-CG 3.43Å; Q88-E92 PolarHBondContact O-N 2.86Å; Q89-E92 PolarHBondContact O-N 2.87Å; L90-E92 VanDerWaalsContact C-N 3.34Å; E92-G95 PolarHBondContact O-N 3.31Å; E92-G95 VanDerWaalsContact O-N 3.09Å; E92-Q96 PolarHBondContact O-N 2.89Å
93L85.6Confident81.5Confident78 Ų7879.9 Ų79.941%0.40842%0.421SS..Hα-helixtrans-55.3-44.3-174.2-153.4116.9000114.7Q89 L90 G95 Q96 L97Q89-L93 PolarHBondContact O-N 3.34Å; L90-L93 WeakPolarHBondContact O-CB 3.41Å; L93-G95 VanDerWaalsContact C-N 3.28Å; L93-G95 PolarHBondContact O-N 3.09Å; L93-Q96 WeakPolarHBondContact O-CB 3.45Å; L93-Q96 PolarHBondContact O-N 3.35Å; L93-L97 HydrophobicContact CD2-CD1 3.84Å; L93-L97 HydrophobicContact CD2-CG 4.46Å; L93-L97 WeakPolarHBondContact O-CG 3.38Å; L93-L97 PolarHBondContact O-N 2.9Å
94P89.1Confident83Confident86 Ų8680.2 Ų80.256%0.55841%0.413SS*.Hα-helixtrans-61.7-38.2177.6-22.634.3000112.4A98P94-A98 WeakPolarHBondContact O-CB 3.42Å; P94-A98 PolarHBondContact O-N 3.01Å
95G86.6Confident84.3Confident25 Ų2577 Ų7726%0.25840%0.404SS..Hα-helixtrans-69-37.5176.600000112.5E92 L93 S99E92-G95 PolarHBondContact O-N 3.31Å; E92-G95 VanDerWaalsContact O-N 3.09Å; L93-G95 VanDerWaalsContact C-N 3.28Å; L93-G95 PolarHBondContact O-N 3.09Å; G95-S99 WeakPolarHBondContact O-CB 3.35Å; G95-S99 PolarHBondContact O-N 3.18Å
96Q88.3Confident85.5Confident74 Ų7477.7 Ų77.735%0.34640%0.402SS..Hα-helixtrans-63.2-46.4173.6-71.1173.8-8.100111.4E92 L93 S99 Y100 R293E92-Q96 PolarHBondContact O-N 2.89Å; L93-Q96 WeakPolarHBondContact O-CB 3.45Å; L93-Q96 PolarHBondContact O-N 3.35Å; Q96-S99 WeakPolarHBondContact O-CB 3.27Å; Q96-S99 PolarHBondContact O-N 2.82Å; Q96-Y100 VanDerWaalsContact O-CB 3.31Å; Q96-Y100 WeakPolarHBondContact O-CB 3.34Å; Q96-Y100 PolarHBondContact O-N 3.35Å; Q96-R293 VanDerWaalsContact CG-CZ 3.5Å
97L91.4Very high86.4Confident107 Ų10773.4 Ų73.456%0.5638%0.382SS*.Hα-helixtrans-65-41.9178.6-68.8174.5000111.8L93 Y100 A101L93-L97 HydrophobicContact CD2-CD1 3.84Å; L93-L97 HydrophobicContact CD2-CG 4.46Å; L93-L97 WeakPolarHBondContact O-CG 3.38Å; L93-L97 PolarHBondContact O-N 2.9Å; L97-Y100 PolarHBondContact O-N 3.05Å; L97-A101 VanDerWaalsContact O-CB 3.3Å; L97-A101 WeakPolarHBondContact O-CB 3.46Å; L97-A101 PolarHBondContact O-N 2.87Å
98A91.6Very high87.4Confident42 Ų4269.6 Ų69.635%0.34736%0.36SS..Hα-helixtrans-64.5-42.4175.200000112.1P94 A101 L102 L290P94-A98 WeakPolarHBondContact O-CB 3.42Å; P94-A98 PolarHBondContact O-N 3.01Å; A98-A101 PolarHBondContact O-N 2.79Å; A98-L102 WeakPolarHBondContact O-CB 3.43Å; A98-L102 PolarHBondContact O-N 3.25Å; A98-L290 HydrophobicContact CB-CD1 3.9Å
99S92.6Very high88.4Confident0 Ų071.7 Ų71.70%036%0.364CS..Hα-helixtrans-58.7-50.2175178.90000110.7G95 Q96 L102 A103 T294 E297G95-S99 WeakPolarHBondContact O-CB 3.35Å; G95-S99 PolarHBondContact O-N 3.18Å; Q96-S99 WeakPolarHBondContact O-CB 3.27Å; Q96-S99 PolarHBondContact O-N 2.82Å; S99-L102 PolarHBondContact O-N 3.08Å; S99-A103 WeakPolarHBondContact O-CB 3.45Å; S99-A103 PolarHBondContact O-N 3.2Å; S99-T294 VanDerWaalsContact OG-CA 3.28Å; S99-T294 WeakPolarHBondContact OG-CA 3.37Å; S99-E297 WeakPolarHBondContact CB-OE2 3.18Å; S99-E297 PolarHBondContact OG-OE2 3.25Å
100Y93.4Very high89.4Confident127 Ų12770.8 Ų70.850%0.49836%0.362SS..Hα-helixtrans-60.2-48.4176.4-177.6-90.1000112.1Q96 L97 L102 A103 H104 H298Q96-Y100 VanDerWaalsContact O-CB 3.31Å; Q96-Y100 WeakPolarHBondContact O-CB 3.34Å; Q96-Y100 PolarHBondContact O-N 3.35Å; L97-Y100 PolarHBondContact O-N 3.05Å; Y100-L102 VanDerWaalsContact C-N 3.34Å; Y100-L102 PolarHBondContact O-N 3.36Å; Y100-A103 PolarHBondContact O-N 3.2Å; Y100-H104 AromaticContact CD2-CD2 3.61Å; Y100-H104 AromaticContact CD2-NE2 3.65Å; Y100-H104 AromaticContact CE1-CD2 3.98Å; Y100-H104 AromaticContact CE2-CD2 3.43Å; Y100-H104 VanDerWaalsContact CE2-CD2 3.43Å; Y100-H104 WeakPolarHBondContact CE2-CD2 3.46Å; Y100-H104 AromaticContact CE2-CE1 3.85Å; Y100-H104 AromaticContact CE2-NE2 3.18Å; Y100-H104 WeakPolarHBondContact CE2-NE2 3.4Å; Y100-H104 AromaticContact CG-CD2 3.95Å; Y100-H104 AromaticContact CZ-CD2 3.62Å; Y100-H104 AromaticContact CZ-CE1 3.96Å; Y100-H104 AromaticContact CZ-CG 3.97Å; Y100-H104 AromaticContact CZ-NE2 3.64Å; Y100-H104 PolarHBondContact O-CD2 2.69Å; Y100-H104 VanDerWaalsContact O-CD2 3.25Å; Y100-H104 PolarHBondContact O-N 3.11Å; Y100-H298 AromaticContact CD2-CE1 3.83Å
101A93.9Very high90.1Very high56 Ų5666.1 Ų66.146%0.46334%0.338SS..Hα-helixtrans-60.7-43.917900000111.6L97 A98 S105L97-A101 VanDerWaalsContact O-CB 3.3Å; L97-A101 WeakPolarHBondContact O-CB 3.46Å; L97-A101 PolarHBondContact O-N 2.87Å; A98-A101 PolarHBondContact O-N 2.79Å; A101-S105 WeakPolarHBondContact O-CB 3.46Å; A101-S105 PolarHBondContact O-N 3.23Å; A101-S105 PolarHBondContact O-OG 3.19Å
102L92.4Very high90.8Very high22 Ų2255.6 Ų55.612%0.11530%0.299CS..Hα-helixtrans-63.2-45.3175.5-177.760.9000110.8A98 S99 Y100 H104 S105 L106 G107 L290 T294A98-L102 WeakPolarHBondContact O-CB 3.43Å; A98-L102 PolarHBondContact O-N 3.25Å; S99-L102 PolarHBondContact O-N 3.08Å; Y100-L102 VanDerWaalsContact C-N 3.34Å; Y100-L102 PolarHBondContact O-N 3.36Å; L102-H104 PolarHBondContact O-N 2.97Å; L102-S105 PolarHBondContact O-N 3.1Å; L102-L106 HydrophobicContact CD1-CB 4.32Å; L102-G107 VanDerWaalsContact O-CA 3.3Å; L102-G107 WeakPolarHBondContact O-CA 3.49Å; L102-G107 PolarHBondContact O-N 3.2Å; L102-L290 HydrophobicContact CD2-CD2 4.18Å; L102-L290 HydrophobicContact CD2-CG 4.15Å; L102-T294 HydrophobicContact CB-CG2 4.28Å; L102-T294 HydrophobicContact CD2-CG2 4.19Å; L102-T294 HydrophobicContact CG-CG2 4.18Å
103A92.9Very high91.3Very high0 Ų054 Ų540%029%0.294CS..Iπ-helixtrans-60.9-44.8-179.500000112.4S99 Y100 S105 R108 T294 H298 F299S99-A103 WeakPolarHBondContact O-CB 3.45Å; S99-A103 PolarHBondContact O-N 3.2Å; Y100-A103 PolarHBondContact O-N 3.2Å; A103-S105 VanDerWaalsContact C-N 3.27Å; A103-S105 PolarHBondContact O-N 3.16Å; A103-R108 WeakPolarHBondContact O-CB 3.46Å; A103-R108 PolarHBondContact O-N 2.99Å; A103-T294 HydrophobicContact CB-CG2 3.81Å; A103-H298 HydrophobicContact CB-CB 3.56Å; A103-H298 VanDerWaalsContact CB-CG 3.45Å; A103-F299 HydrophobicContact CB-CE2 3.81Å
104H92.7Very high91.4Very high65 Ų6550.2 Ų50.230%0.30127%0.274SS..Iπ-helixtrans-842.5-176.6-72.8-99000114.1Y100 L102 R108 F215Y100-H104 AromaticContact CD2-CD2 3.61Å; Y100-H104 AromaticContact CD2-NE2 3.65Å; Y100-H104 AromaticContact CE1-CD2 3.98Å; Y100-H104 AromaticContact CE2-CD2 3.43Å; Y100-H104 VanDerWaalsContact CE2-CD2 3.43Å; Y100-H104 WeakPolarHBondContact CE2-CD2 3.46Å; Y100-H104 AromaticContact CE2-CE1 3.85Å; Y100-H104 AromaticContact CE2-NE2 3.18Å; Y100-H104 WeakPolarHBondContact CE2-NE2 3.4Å; Y100-H104 AromaticContact CG-CD2 3.95Å; Y100-H104 AromaticContact CZ-CD2 3.62Å; Y100-H104 AromaticContact CZ-CE1 3.96Å; Y100-H104 AromaticContact CZ-CG 3.97Å; Y100-H104 AromaticContact CZ-NE2 3.64Å; Y100-H104 PolarHBondContact O-CD2 2.69Å; Y100-H104 VanDerWaalsContact O-CD2 3.25Å; Y100-H104 PolarHBondContact O-N 3.11Å; L102-H104 PolarHBondContact O-N 2.97Å; H104-R108 PolarHBondContact O-NH2 2.75Å; H104-R108 VanDerWaalsContact O-NH2 3.07Å; H104-F215 AromaticContact CE1-CZ 3.54Å; H104-F215 AromaticContact ND1-CZ 3.62Å; H104-F215 AromaticContact NE2-CZ 3.96Å
105S90.8Very high91.5Very high52 Ų5247.3 Ų47.336%0.36426%0.256SS..Iπ-helixtrans-124.6-111177.564.50000112.1A101 L102 A103 G107 R108 W109A101-S105 WeakPolarHBondContact O-CB 3.46Å; A101-S105 PolarHBondContact O-N 3.23Å; A101-S105 PolarHBondContact O-OG 3.19Å; L102-S105 PolarHBondContact O-N 3.1Å; A103-S105 VanDerWaalsContact C-N 3.27Å; A103-S105 PolarHBondContact O-N 3.16Å; S105-G107 VanDerWaalsContact C-N 3.33Å; S105-G107 PolarHBondContact O-N 3.32Å; S105-R108 PolarHBondContact O-N 3.48Å; S105-W109 PolarHBondContact O-N 3.47Å
106L89Confident91.7Very high79 Ų7948 Ų4841%0.41426%0.255SS..Iπ-helixtrans-62.4-37-175.3-179.664.6000112.4L102 R108 W109 L110L102-L106 HydrophobicContact CD1-CB 4.32Å; L106-R108 PolarHBondContact O-N 3.32Å; L106-W109 HydrophobicContact CD1-CE3 4.43Å; L106-W109 PolarHBondContact O-N 2.88Å; L106-W109 VanDerWaalsContact O-N 3.17Å; L106-L110 HydrophobicContact CD1-CD1 4.38Å; L106-L110 HydrophobicContact CD1-CG 4.24Å; L106-L110 HydrophobicContact CD2-CD1 4.48Å; L106-L110 HydrophobicContact CG-CD1 3.98Å; L106-L110 HydrophobicContact CG-CG 4.29Å; L106-L110 WeakPolarHBondContact O-CG 3.32Å; L106-L110 PolarHBondContact O-N 3.44Å
107G90.1Very high91.5Very high10 Ų1047.7 Ų47.710%0.10326%0.261CS..Iπ-helixtrans-57.4-50.5-18000000111.8L102 S105 W109 L110 V111L102-G107 VanDerWaalsContact O-CA 3.3Å; L102-G107 WeakPolarHBondContact O-CA 3.49Å; L102-G107 PolarHBondContact O-N 3.2Å; S105-G107 VanDerWaalsContact C-N 3.33Å; S105-G107 PolarHBondContact O-N 3.32Å; G107-W109 VanDerWaalsContact C-N 3.31Å; G107-W109 PolarHBondContact O-N 3.05Å; G107-L110 PolarHBondContact O-N 3.12Å; G107-V111 WeakPolarHBondContact O-CG2 3.45Å; G107-V111 PolarHBondContact O-N 3.25Å
108R94.1Very high91.2Very high42 Ų4247.7 Ų47.716%0.15826%0.261CS..Hα-helixtrans-58.6-41175.1-177.217255-176-4.3112.7A103 H104 S105 L106 L110 V111 Y112 V213 P214 F299A103-R108 WeakPolarHBondContact O-CB 3.46Å; A103-R108 PolarHBondContact O-N 2.99Å; H104-R108 PolarHBondContact O-NH2 2.75Å; H104-R108 VanDerWaalsContact O-NH2 3.07Å; S105-R108 PolarHBondContact O-N 3.48Å; L106-R108 PolarHBondContact O-N 3.32Å; R108-L110 VanDerWaalsContact C-N 3.32Å; R108-L110 PolarHBondContact O-N 3.3Å; R108-V111 PolarHBondContact O-N 2.83Å; R108-Y112 PolarHBondContact O-N 3.46Å; R108-V213 VanDerWaalsContact NH1-CB 3.34Å; R108-P214 HydrophobicContact CG-CG 4.17Å; R108-F299 HydrophobicContact CB-CZ 3.82Å; R108-F299 HydrophobicContact CG-CZ 4.33Å
109W91.2Very high90.8Very high129 Ų12948.7 Ų48.749%0.48926%0.259SS..Hα-helixtrans-68-31.7-179.9-61.4-17.6000113.1S105 L106 G107 P113 V116S105-W109 PolarHBondContact O-N 3.47Å; L106-W109 HydrophobicContact CD1-CE3 4.43Å; L106-W109 PolarHBondContact O-N 2.88Å; L106-W109 VanDerWaalsContact O-N 3.17Å; G107-W109 VanDerWaalsContact C-N 3.31Å; G107-W109 PolarHBondContact O-N 3.05Å; W109-P113 WeakPolarHBondContact O-CA 3.31Å; W109-P113 WeakPolarHBondContact O-CB 3.37Å; W109-P113 WeakPolarHBondContact O-CD 3.26Å; W109-P113 VanDerWaalsContact O-N 3.11Å; W109-V116 HydrophobicContact CB-CG2 3.89Å; W109-V116 HydrophobicContact CD2-CG2 4.39Å; W109-V116 HydrophobicContact CG-CG2 3.73Å
110L90.7Very high90.3Very high86 Ų8649.9 Ų49.945%0.4527%0.267SS..Hα-helixtrans-74.6-38.3174.6-68.5172.7000111.9L106 G107 R108 M283L106-L110 HydrophobicContact CD1-CD1 4.38Å; L106-L110 HydrophobicContact CD1-CG 4.24Å; L106-L110 HydrophobicContact CD2-CD1 4.48Å; L106-L110 HydrophobicContact CG-CD1 3.98Å; L106-L110 HydrophobicContact CG-CG 4.29Å; L106-L110 WeakPolarHBondContact O-CG 3.32Å; L106-L110 PolarHBondContact O-N 3.44Å; G107-L110 PolarHBondContact O-N 3.12Å; R108-L110 VanDerWaalsContact C-N 3.32Å; R108-L110 PolarHBondContact O-N 3.3Å; L110-M283 HydrophobicContact CD1-SD 3.79Å
111V92.7Very high89.8Confident19 Ų1950.5 Ų50.512%0.11527%0.268CS..Hα-helixtrans-74.6-37.7178.7-178.10000111.2G107 R108 N180 L275 F299 L301G107-V111 WeakPolarHBondContact O-CG2 3.45Å; G107-V111 PolarHBondContact O-N 3.25Å; R108-V111 PolarHBondContact O-N 2.83Å; V111-N180 WeakPolarHBondContact O-CB 3.43Å; V111-N180 PolarHBondContact O-ND2 3.07Å; V111-L275 HydrophobicContact CG1-CD2 4.17Å; V111-L275 HydrophobicContact CG2-CD2 4.13Å; V111-F299 HydrophobicContact CB-CD1 4.33Å; V111-F299 HydrophobicContact CB-CE1 4.5Å; V111-F299 HydrophobicContact CG1-CD1 4.08Å; V111-F299 HydrophobicContact CG2-CD1 4.37Å; V111-F299 HydrophobicContact CG2-CD2 4.38Å; V111-F299 HydrophobicContact CG2-CG 4.2Å; V111-L301 HydrophobicContact CG1-CD1 4.44Å
112Y94.8Very high89.4Confident0 Ų049.1 Ų49.10%026%0.257CS..  trans-134.467-176.9-63.4-82.5000112.9R108 G114 S115 N180 F207 P214 D219 V248 F299R108-Y112 PolarHBondContact O-N 3.46Å; Y112-G114 PolarHBondContact O-N 2.91Å; Y112-S115 PolarHBondContact O-N 2.76Å; Y112-S115 PolarHBondContact O-OG 3.18Å; Y112-N180 CarbonylContact C-O 3.54Å; Y112-N180 HydrophobicContact CD1-CB 4.49Å; Y112-F207 HydrophobicContact CD1-CE2 4.24Å; Y112-F207 HydrophobicContact CD1-CZ 4.1Å; Y112-P214 VanDerWaalsContact CB-CG 3.41Å; Y112-P214 HydrophobicContact CD1-CB 3.82Å; Y112-P214 HydrophobicContact CD1-CG 4.34Å; Y112-P214 HydrophobicContact CD2-CB 3.74Å; Y112-P214 HydrophobicContact CD2-CG 3.92Å; Y112-P214 HydrophobicContact CE1-CB 4.18Å; Y112-P214 HydrophobicContact CE2-CB 4.15Å; Y112-P214 HydrophobicContact CG-CB 3.55Å; Y112-P214 HydrophobicContact CG-CG 3.67Å; Y112-D219 WeakPolarHBondContact CE1-OD2 3.34Å; Y112-D219 VanDerWaalsContact CZ-OD2 3.29Å; Y112-D219 PolarHBondContact OH-OD2 3.26Å; Y112-V248 HydrophobicContact CD1-CG1 4.48Å; Y112-V248 HydrophobicContact CE1-CG1 3.73Å; Y112-F299 HydrophobicContact CD2-CE1 4.22Å; Y112-F299 HydrophobicContact CE2-CD1 4.03Å; Y112-F299 HydrophobicContact CE2-CE1 4.04Å
113P92.5Very high89.2Confident34 Ų3449.8 Ų49.822%0.22126%0.26CS..G310 helixtrans-60-28.9-178.823.7-35.3000113.7W109 S115 V116 M119 N180 A181W109-P113 WeakPolarHBondContact O-CA 3.31Å; W109-P113 WeakPolarHBondContact O-CB 3.37Å; W109-P113 WeakPolarHBondContact O-CD 3.26Å; W109-P113 VanDerWaalsContact O-N 3.11Å; P113-S115 PolarHBondContact O-N 3Å; P113-S115 VanDerWaalsContact O-N 3.12Å; P113-V116 VanDerWaalsContact O-CB 3.31Å; P113-V116 WeakPolarHBondContact O-CB 3.4Å; P113-V116 WeakPolarHBondContact O-CG2 3.31Å; P113-V116 PolarHBondContact O-N 3.32Å; P113-M119 VanDerWaalsContact C-SD 3.56Å; P113-M119 HydrophobicContact CB-SD 3.93Å; P113-N180 VanDerWaalsContact CD-O 3.25Å; P113-N180 WeakPolarHBondContact CD-O 3.43Å; P113-A181 HydrophobicContact CG-CB 4.19Å
114G89.8Confident88.8Confident0 Ų050.7 Ų50.70%027%0.265CS..G310 helixtrans-62.1-19.5178.800000114.9Y112 V116 T120 N180Y112-G114 PolarHBondContact O-N 2.91Å; G114-V116 VanDerWaalsContact C-N 3.34Å; G114-T120 PolarHBondContact O-OG1 3Å; G114-N180 PolarHBondContact N-O 2.9Å; G114-N180 VanDerWaalsContact N-O 3.08Å
115S90.8Very high88.6Confident25 Ų2548.6 Ų48.618%0.17526%0.257CS..G310 helixtrans-82-7.7174.268.50000114.6Y112 P113 S117 G206 P214Y112-S115 PolarHBondContact O-N 2.76Å; Y112-S115 PolarHBondContact O-OG 3.18Å; P113-S115 PolarHBondContact O-N 3Å; P113-S115 VanDerWaalsContact O-N 3.12Å; S115-S117 PolarHBondContact O-N 3.31Å; S115-G206 WeakPolarHBondContact CA-O 3.24Å; S115-P214 WeakPolarHBondContact OG-CG 3.48Å
116V89.9Confident88.5Confident38 Ų3850.1 Ų50.123%0.2326%0.261CS..  trans-73.8115.2179.7178.50000108.5W109 P113 G114 L118 M119 T120W109-V116 HydrophobicContact CB-CG2 3.89Å; W109-V116 HydrophobicContact CD2-CG2 4.39Å; W109-V116 HydrophobicContact CG-CG2 3.73Å; P113-V116 VanDerWaalsContact O-CB 3.31Å; P113-V116 WeakPolarHBondContact O-CB 3.4Å; P113-V116 WeakPolarHBondContact O-CG2 3.31Å; P113-V116 PolarHBondContact O-N 3.32Å; G114-V116 VanDerWaalsContact C-N 3.34Å; V116-L118 HydrophobicContact CG1-CB 4.33Å; V116-L118 PolarHBondContact O-N 3.11Å; V116-M119 HydrophobicContact CB-CB 4.29Å; V116-M119 WeakPolarHBondContact O-CA 3.36Å; V116-M119 WeakPolarHBondContact O-CB 3.4Å; V116-M119 PolarHBondContact O-N 3.24Å; V116-T120 PolarHBondContact O-N 2.9Å; V116-T120 PolarHBondContact O-OG1 2.83Å; V116-T120 VanDerWaalsContact O-OG1 3.13Å
117S84.4Confident88.7Confident68 Ų6846.4 Ų46.448%0.47624%0.241SC..Hα-helixtrans-45.4-38.5-177.3-174.70000114.3S115 R121S115-S117 PolarHBondContact O-N 3.31Å; S117-R121 WeakPolarHBondContact O-CB 3.33Å; S117-R121 WeakPolarHBondContact O-CG 3.42Å; S117-R121 PolarHBondContact O-N 3.37Å
118L84.4Confident88.7Confident108 Ų10848.2 Ų48.257%0.56525%0.247SC*.Hα-helixtrans-65.1-45176.5-174.967.7000112.6L18 V116 A122L18-L118 HydrophobicContact CD1-CD1 4.24Å; L18-L118 HydrophobicContact CD2-CD1 3.57Å; V116-L118 HydrophobicContact CG1-CB 4.33Å; V116-L118 PolarHBondContact O-N 3.11Å; L118-A122 WeakPolarHBondContact O-CB 3.42Å; L118-A122 PolarHBondContact O-N 2.98Å; L118-A122 VanDerWaalsContact O-N 3.09Å
119M83.9Confident88.6Confident63 Ų6352.2 Ų52.231%0.3127%0.267SS..Hα-helixtrans-66-47176.9-178.7171.1178.600110.6P113 V116 R121 A122 L123 A181P113-M119 VanDerWaalsContact C-SD 3.56Å; P113-M119 HydrophobicContact CB-SD 3.93Å; V116-M119 HydrophobicContact CB-CB 4.29Å; V116-M119 WeakPolarHBondContact O-CA 3.36Å; V116-M119 WeakPolarHBondContact O-CB 3.4Å; V116-M119 PolarHBondContact O-N 3.24Å; M119-R121 VanDerWaalsContact C-N 3.32Å; M119-R121 PolarHBondContact O-N 3.46Å; M119-A122 PolarHBondContact O-N 3.49Å; M119-A122 VanDerWaalsContact O-N 3.12Å; M119-L123 HydrophobicContact CE-CD1 3.87Å; M119-L123 HydrophobicContact CG-CD1 3.95Å; M119-L123 WeakPolarHBondContact O-CG 3.39Å; M119-L123 PolarHBondContact O-N 3.11Å; M119-A181 HydrophobicContact CE-CB 3.73Å
120T81.7Confident88.7Confident25 Ų2546.6 Ų46.615%0.15325%0.25CC..Hα-helixtrans-58.1-43.7177.7-40.40000111.4G114 V116 A122 L123 L124G114-T120 PolarHBondContact O-OG1 3Å; V116-T120 PolarHBondContact O-N 2.9Å; V116-T120 PolarHBondContact O-OG1 2.83Å; V116-T120 VanDerWaalsContact O-OG1 3.13Å; T120-A122 PolarHBondContact O-N 3.23Å; T120-L123 PolarHBondContact O-N 3.35Å; T120-L124 PolarHBondContact O-N 3.49Å
121R83.6Confident88.8Confident140 Ų14044 Ų4453%0.52824%0.235SC..Hα-helixtrans-63.5-39.6176-75.4174.4-170.7-169.71.7112.8L18 S117 M119 L123 L124L18-R121 HydrophobicContact CD2-CB 4.36Å; S117-R121 WeakPolarHBondContact O-CB 3.33Å; S117-R121 WeakPolarHBondContact O-CG 3.42Å; S117-R121 PolarHBondContact O-N 3.37Å; M119-R121 VanDerWaalsContact C-N 3.32Å; M119-R121 PolarHBondContact O-N 3.46Å; R121-L123 VanDerWaalsContact C-N 3.31Å; R121-L124 WeakPolarHBondContact O-CB 3.4Å; R121-L124 PolarHBondContact O-N 3.26Å
122A85.3Confident88.9Confident27 Ų2748.3 Ų48.322%0.22325%0.254CS..Hα-helixtrans-67.1-33.7178.200000112.4F14 L118 M119 T120F14-A122 HydrophobicContact CD1-CB 4.45Å; F14-A122 HydrophobicContact CE1-CB 3.83Å; L118-A122 WeakPolarHBondContact O-CB 3.42Å; L118-A122 PolarHBondContact O-N 2.98Å; L118-A122 VanDerWaalsContact O-N 3.09Å; M119-A122 PolarHBondContact O-N 3.49Å; M119-A122 VanDerWaalsContact O-N 3.12Å; T120-A122 PolarHBondContact O-N 3.23Å
123L87.9Confident88.9Confident35 Ų3553.8 Ų53.818%0.18328%0.275CS..Hα-helixtrans-85.4-14.6179.3-67175000113.7M119 T120 R121 L126 L127 F183M119-L123 HydrophobicContact CE-CD1 3.87Å; M119-L123 HydrophobicContact CG-CD1 3.95Å; M119-L123 WeakPolarHBondContact O-CG 3.39Å; M119-L123 PolarHBondContact O-N 3.11Å; T120-L123 PolarHBondContact O-N 3.35Å; R121-L123 VanDerWaalsContact C-N 3.31Å; L123-L126 HydrophobicContact CD2-CD1 4.12Å; L123-L126 WeakPolarHBondContact O-CA 3.37Å; L123-L126 WeakPolarHBondContact O-CB 3.45Å; L123-L126 PolarHBondContact O-N 2.96Å; L123-L127 HydrophobicContact CB-CD1 4.46Å; L123-L127 HydrophobicContact CB-CG 4.34Å; L123-L127 WeakPolarHBondContact O-CG 3.33Å; L123-L127 PolarHBondContact O-N 2.95Å; L123-F183 HydrophobicContact CD1-CD2 4.35Å; L123-F183 HydrophobicContact CD1-CE2 3.52Å; L123-F183 HydrophobicContact CD1-CZ 4.14Å
124L85.8Confident89.1Confident19 Ų1952.6 Ų52.610%0.09927%0.267CS..Hα-helixtrans-50.5-42.7-171.9-177.150.2000115.8Y22 Y24 T120 R121 L126 L127 Q128Y22-L124 HydrophobicContact CD2-CD2 4.14Å; Y22-L124 HydrophobicContact CD2-CG 4.35Å; Y22-L124 HydrophobicContact CG-CD2 3.96Å; Y22-L124 HydrophobicContact CG-CG 4.14Å; Y24-L124 HydrophobicContact CD2-CD1 3.51Å; Y24-L124 HydrophobicContact CE2-CD1 3.78Å; T120-L124 PolarHBondContact O-N 3.49Å; R121-L124 WeakPolarHBondContact O-CB 3.4Å; R121-L124 PolarHBondContact O-N 3.26Å; L124-L126 VanDerWaalsContact C-N 3.32Å; L124-L126 PolarHBondContact O-N 2.94Å; L124-L127 PolarHBondContact O-N 2.9Å; L124-Q128 HydrophobicContact CD1-CG 4.13Å; L124-Q128 WeakPolarHBondContact O-CG 3.49Å; L124-Q128 PolarHBondContact O-N 3.32Å
125P87.5Confident89.4Confident22 Ų2255.6 Ų55.614%0.14329%0.285CS..Hα-helixtrans-61.8-39.1175.1-15.125000113Y17 Y22 Q128 Q129Y17-P125 HydrophobicContact CD1-CB 4.35Å; Y17-P125 HydrophobicContact CD1-CG 3.26Å; Y17-P125 HydrophobicContact CE1-CB 3.79Å; Y17-P125 HydrophobicContact CE1-CG 3.17Å; Y17-P125 HydrophobicContact CG-CG 4.35Å; Y22-P125 HydrophobicContact CE2-CG 4.12Å; P125-Q128 PolarHBondContact O-N 3.34Å; P125-Q129 WeakPolarHBondContact O-CB 3.36Å; P125-Q129 PolarHBondContact O-N 3.46Å
126L89.4Confident89.6Confident84 Ų8461.5 Ų61.544%0.4431%0.31SS..Hα-helixtrans-68.6-39.3177.5-62.8173.9000111L123 L124 Q129 G130 M186L123-L126 HydrophobicContact CD2-CD1 4.12Å; L123-L126 WeakPolarHBondContact O-CA 3.37Å; L123-L126 WeakPolarHBondContact O-CB 3.45Å; L123-L126 PolarHBondContact O-N 2.96Å; L124-L126 VanDerWaalsContact C-N 3.32Å; L124-L126 PolarHBondContact O-N 2.94Å; L126-Q129 PolarHBondContact O-N 3.2Å; L126-G130 PolarHBondContact O-N 2.91Å; L126-M186 HydrophobicContact CB-SD 4.39Å
127L91.8Very high89.8Confident1 Ų167.7 Ų67.71%0.00533%0.329CS..Hα-helixtrans-64.3-44.4175.6-59.4-178000111.1L123 L124 Q129 G130 Q131 F183 E185 M186L123-L127 HydrophobicContact CB-CD1 4.46Å; L123-L127 HydrophobicContact CB-CG 4.34Å; L123-L127 WeakPolarHBondContact O-CG 3.33Å; L123-L127 PolarHBondContact O-N 2.95Å; L124-L127 PolarHBondContact O-N 2.9Å; L127-Q129 PolarHBondContact O-N 3.03Å; L127-G130 PolarHBondContact O-N 3.42Å; L127-Q131 WeakPolarHBondContact O-CB 3.48Å; L127-Q131 PolarHBondContact O-N 3.23Å; L127-F183 HydrophobicContact CD1-CD1 3.8Å; L127-F183 HydrophobicContact CD1-CE1 3.94Å; L127-F183 HydrophobicContact CD1-CG 4.16Å; L127-F183 HydrophobicContact CD1-CZ 4.41Å; L127-F183 HydrophobicContact CD2-CB 3.49Å; L127-F183 VanDerWaalsContact CD2-CB 3.49Å; L127-F183 HydrophobicContact CD2-CD1 4Å; L127-F183 HydrophobicContact CD2-CD2 3.84Å; L127-F183 HydrophobicContact CD2-CG 3.51Å; L127-F183 HydrophobicContact CG-CG 4.49Å; L127-E185 HydrophobicContact CB-CB 4.47Å; L127-E185 HydrophobicContact CB-CG 4.38Å; L127-E185 HydrophobicContact CD2-CB 4.09Å; L127-E185 WeakPolarHBondContact O-CG 3.4Å; L127-M186 HydrophobicContact CD2-CG 4.13Å; L127-M186 HydrophobicContact CD2-SD 3.94Å
128Q90.8Very high90.3Very high47 Ų4766 Ų6622%0.2231%0.312CS..Hα-helixtrans-60-48175.8-75178.4-22.100111.6Y22 L124 P125 G130 Q131 E132Y22-Q128 VanDerWaalsContact CD1-OE1 3.23Å; L124-Q128 HydrophobicContact CD1-CG 4.13Å; L124-Q128 WeakPolarHBondContact O-CG 3.49Å; L124-Q128 PolarHBondContact O-N 3.32Å; P125-Q128 PolarHBondContact O-N 3.34Å; Q128-G130 VanDerWaalsContact C-N 3.33Å; Q128-G130 PolarHBondContact O-N 3.04Å; Q128-Q131 PolarHBondContact O-N 3.05Å; Q128-E132 WeakPolarHBondContact O-CB 3.35Å; Q128-E132 WeakPolarHBondContact O-CG 3.45Å; Q128-E132 PolarHBondContact O-N 3.44Å
129Q91.4Very high90.8Very high126 Ų12668.2 Ų68.259%0.58932%0.319SS*.Hα-helixtrans-61.2-41.2176.9-173.3-177.15.800112.2P125 L126 L127 R133P125-Q129 WeakPolarHBondContact O-CB 3.36Å; P125-Q129 PolarHBondContact O-N 3.46Å; L126-Q129 PolarHBondContact O-N 3.2Å; L127-Q129 PolarHBondContact O-N 3.03Å; Q129-R133 WeakPolarHBondContact O-CB 3.4Å; Q129-R133 PolarHBondContact O-N 2.93Å
130G93.7Very high91.5Very high11 Ų1165.6 Ų65.611%0.11331%0.308CS..Hα-helixtrans-63.1-44.517600000111.9L126 L127 Q128 R133 L134 E185L126-G130 PolarHBondContact O-N 2.91Å; L127-G130 PolarHBondContact O-N 3.42Å; Q128-G130 VanDerWaalsContact C-N 3.33Å; Q128-G130 PolarHBondContact O-N 3.04Å; G130-R133 PolarHBondContact O-N 3.14Å; G130-L134 WeakPolarHBondContact O-CG 3.12Å; G130-L134 PolarHBondContact O-N 3.47Å; G130-E185 WeakPolarHBondContact CA-O 3.48Å
131Q93.6Very high92.2Very high32 Ų3270.5 Ų70.515%0.1532%0.324CS..Hα-helixtrans-61.8-47.4176.2-162.8-160.4-37.300111.8L127 Q128 R133 L134 V135 R142 M156 E185L127-Q131 WeakPolarHBondContact O-CB 3.48Å; L127-Q131 PolarHBondContact O-N 3.23Å; Q128-Q131 PolarHBondContact O-N 3.05Å; Q131-R133 PolarHBondContact O-N 3.46Å; Q131-L134 PolarHBondContact O-N 3.23Å; Q131-V135 WeakPolarHBondContact O-CG2 3.3Å; Q131-V135 PolarHBondContact O-N 3.13Å; Q131-R142 VanDerWaalsContact NE2-NH1 3.15Å; Q131-M156 HydrophobicContact CG-CE 3.57Å; Q131-E185 HydrophobicContact CB-CG 4.04Å
132E93.8Very high92.7Very high110 Ų11065.2 Ų65.251%0.51430%0.304SS..Hα-helixtrans-58.5-46.6175.9-74.4168.8-177.500110.9Q128 L134 V135 E136Q128-E132 WeakPolarHBondContact O-CB 3.35Å; Q128-E132 WeakPolarHBondContact O-CG 3.45Å; Q128-E132 PolarHBondContact O-N 3.44Å; E132-L134 VanDerWaalsContact C-N 3.31Å; E132-L134 PolarHBondContact O-N 3.48Å; E132-V135 PolarHBondContact O-N 2.53Å; E132-V135 VanDerWaalsContact O-N 3.16Å; E132-E136 WeakPolarHBondContact O-CB 3.43Å; E132-E136 WeakPolarHBondContact O-CG 3.23Å; E132-E136 PolarHBondContact O-N 3.17Å
133R94.9Very high93.3Very high114 Ų11464 Ų6443%0.4330%0.295SS..Hα-helixtrans-56.2-44.4175178.3-176.6170.2-166.9-7.2111.7Q129 G130 Q131 R137 Y138 E194Q129-R133 WeakPolarHBondContact O-CB 3.4Å; Q129-R133 PolarHBondContact O-N 2.93Å; G130-R133 PolarHBondContact O-N 3.14Å; Q131-R133 PolarHBondContact O-N 3.46Å; R133-R137 VanDerWaalsContact O-CB 3.24Å; R133-R137 WeakPolarHBondContact O-CB 3.31Å; R133-R137 PolarHBondContact O-N 3.42Å; R133-Y138 HydrophobicContact CG-CE2 4.3Å; R133-Y138 PolarHBondContact NH2-OH 2.9Å; R133-Y138 VanDerWaalsContact NH2-OH 3.1Å; R133-E194 IonicContact NH2-OE1 2.86Å; R133-E194 PolarHBondContact NH2-OE1 3.45Å; R133-E194 VanDerWaalsContact NH2-OE1 3.09Å
134L96.3Very high93.7Very high10 Ų1062.6 Ų62.65%0.05229%0.287CS..Hα-helixtrans-64.1-41179.3-69.7173.9000111.8G130 Q131 E132 Y138 H139 G140 M156 M158 Y184 L189 L193G130-L134 WeakPolarHBondContact O-CG 3.12Å; G130-L134 PolarHBondContact O-N 3.47Å; Q131-L134 PolarHBondContact O-N 3.23Å; E132-L134 VanDerWaalsContact C-N 3.31Å; E132-L134 PolarHBondContact O-N 3.48Å; L134-Y138 HydrophobicContact CD2-CD2 4.25Å; L134-Y138 CarbonylContact O-C 3.58Å; L134-Y138 WeakPolarHBondContact O-CA 3.17Å; L134-Y138 WeakPolarHBondContact O-CB 3.24Å; L134-Y138 PolarHBondContact O-N 2.79Å; L134-H139 PolarHBondContact O-N 3.02Å; L134-G140 PolarHBondContact O-N 3.13Å; L134-M156 HydrophobicContact CB-CG 4.21Å; L134-M156 HydrophobicContact CD1-CG 4.08Å; L134-M158 HydrophobicContact CD2-CE 4.34Å; L134-M158 HydrophobicContact CD2-SD 4.34Å; L134-Y184 HydrophobicContact CD1-CD2 3.95Å; L134-Y184 HydrophobicContact CD1-CE2 4.14Å; L134-L189 HydrophobicContact CD1-CD2 4.25Å; L134-L189 HydrophobicContact CD2-CD2 3.65Å; L134-L193 HydrophobicContact CD2-CD2 3.74Å
135V95.6Very high94.3Very high62 Ų6261.7 Ų61.738%0.37628%0.282SS..Hα-helixtrans-69.5-52.5178.5174.40000111.3Q131 E132 H139 M156Q131-V135 WeakPolarHBondContact O-CG2 3.3Å; Q131-V135 PolarHBondContact O-N 3.13Å; E132-V135 PolarHBondContact O-N 2.53Å; E132-V135 VanDerWaalsContact O-N 3.16Å; V135-H139 VanDerWaalsContact O-CA 3.22Å; V135-H139 WeakPolarHBondContact O-CA 3.42Å; V135-H139 PolarHBondContact O-N 3.28Å; V135-H139 VanDerWaalsContact O-N 3.14Å; V135-M156 HydrophobicContact CG2-CE 3.86Å; V135-M156 HydrophobicContact CG2-SD 4.23Å
136E95.1Very high94.8Very high150 Ų15061 Ų6170%0.70128%0.278SS*.Hα-helixtrans-73.8-44.3-171.5-67-177.3168.900112.6E132E132-E136 WeakPolarHBondContact O-CB 3.43Å; E132-E136 WeakPolarHBondContact O-CG 3.23Å; E132-E136 PolarHBondContact O-N 3.17Å
137R94.8Very high95.2Very high168 Ų16857 Ų5763%0.63426%0.257SS*.Hα-helixtrans-90.2-31-173.6-175173.9175.1178.9-3.9113.5R133R133-R137 VanDerWaalsContact O-CB 3.24Å; R133-R137 WeakPolarHBondContact O-CB 3.31Å; R133-R137 PolarHBondContact O-N 3.42Å
138Y94.8Very high95.4Very high32 Ų3258.7 Ų58.713%0.12527%0.268CS..Hα-helixtrans-118.310.6-173.8-57-87.4000113.1R133 L134 G140 L193 E194R133-Y138 HydrophobicContact CG-CE2 4.3Å; R133-Y138 PolarHBondContact NH2-OH 2.9Å; R133-Y138 VanDerWaalsContact NH2-OH 3.1Å; L134-Y138 HydrophobicContact CD2-CD2 4.25Å; L134-Y138 CarbonylContact O-C 3.58Å; L134-Y138 WeakPolarHBondContact O-CA 3.17Å; L134-Y138 WeakPolarHBondContact O-CB 3.24Å; L134-Y138 PolarHBondContact O-N 2.79Å; Y138-G140 PolarHBondContact O-N 3.28Å; Y138-L193 HydrophobicContact CD1-CD1 4.22Å; Y138-L193 HydrophobicContact CD1-CD2 3.75Å; Y138-L193 HydrophobicContact CD1-CG 3.95Å; Y138-L193 HydrophobicContact CD2-CD2 3.99Å; Y138-L193 HydrophobicContact CE1-CD2 3.98Å; Y138-L193 HydrophobicContact CE1-CG 4.13Å; Y138-L193 HydrophobicContact CE2-CD2 4.21Å; Y138-L193 HydrophobicContact CG-CD2 3.74Å; Y138-L193 HydrophobicContact CG-CG 4.4Å; Y138-E194 PolarHBondContact OH-OE1 3.22Å
139H95.9Very high95.7Very high154 Ų15459.1 Ų59.171%0.71327%0.272SS*.  trans53.136.1179.9-53.9-60.8000112.8L134 V135L134-H139 PolarHBondContact O-N 3.02Å; V135-H139 VanDerWaalsContact O-CA 3.22Å; V135-H139 WeakPolarHBondContact O-CA 3.42Å; V135-H139 PolarHBondContact O-N 3.28Å; V135-H139 VanDerWaalsContact O-N 3.14Å
140G97Very high95.9Very high8 Ų855.4 Ų55.48%0.08227%0.268CS..  trans-59.6135179.500000112L134 Y138 F157L134-G140 PolarHBondContact O-N 3.13Å; Y138-G140 PolarHBondContact O-N 3.28Å; G140-F157 WeakPolarHBondContact CA-O 3.21Å
141R96.4Very high96.1Very high129 Ų12955.8 Ų55.849%0.48727%0.267SS..EExtended strand (participates in β ladder)trans-108.1111.4175.4-66.5-175.9-67.2-171.1-9.4109.4M156 F157 D159R141-M156 VanDerWaalsContact C-SD 3.56Å; R141-F157 PolarHBondContact N-O 2.93Å; R141-F157 VanDerWaalsContact NH2-CD1 3.29Å; R141-F157 PolarHBondContact O-N 2.71Å; R141-D159 VanDerWaalsContact NH2-CB 3.34Å; R141-D159 IonicContact NH2-OD2 3.3Å; R141-D159 PolarHBondContact NH2-OD2 3.44Å
142R95.6Very high96.3Very high28 Ų2856.5 Ų56.511%0.10627%0.27CS..EExtended strand (participates in β ladder)trans-75.7137.1176.3-165.8-170.8-170.6159.718.9111.1Y24 W29 Q131 D154 T155 M156Y24-R142 VanDerWaalsContact CZ-NH2 3.28Å; Y24-R142 PolarHBondContact OH-NH2 2.97Å; W29-R142 HydrophobicContact CZ2-CB 4.13Å; Q131-R142 VanDerWaalsContact NE2-NH1 3.15Å; R142-D154 IonicContact CZ-OD1 3.52Å; R142-D154 IonicContact CZ-OD2 3.25Å; R142-D154 IonicContact NE-OD1 3.25Å; R142-D154 PolarHBondContact NE-OD1 2.99Å; R142-D154 IonicContact NE-OD2 3.7Å; R142-D154 VanDerWaalsContact NH2-CG 3.29Å; R142-D154 IonicContact NH2-OD1 3.67Å; R142-D154 PolarHBondContact NH2-OD1 3.05Å; R142-D154 IonicContact NH2-OD2 3.53Å; R142-D154 PolarHBondContact NH2-OD2 2.86Å; R142-T155 CarbonylContact C-O 2.87Å; R142-T155 VanDerWaalsContact CA-O 3.3Å; R142-T155 WeakPolarHBondContact CA-O 3.4Å; R142-T155 WeakPolarHBondContact CG-O 3.33Å; R142-M156 HydrophobicContact CB-CE 3.83Å; R142-M156 HydrophobicContact CB-SD 4.16Å; R142-M156 HydrophobicContact CG-CE 4.16Å
143A96.3Very high96.5Very high3 Ų351.3 Ų51.33%0.02525%0.246CC..EExtended strand (participates in β ladder)trans-136.8141.3175.400000111.5A32 L145 T155 Y229A32-A143 HydrophobicContact CB-CB 3.81Å; A143-L145 HydrophobicContact CB-CD2 4.32Å; A143-T155 WeakPolarHBondContact CB-OG1 3.45Å; A143-T155 PolarHBondContact N-O 3.06Å; A143-T155 PolarHBondContact O-N 3.43Å; A143-T155 PolarHBondContact O-OG1 2.84Å; A143-Y229 HydrophobicContact CB-CE1 4.32Å
144K97.8Very high96.6Very high4 Ų445.9 Ų45.92%0.01723%0.225CC..EExtended strand (participates in β ladder)trans-95.2122.9167.9174.7-176.2-66.2-168.60108.9F26 R27 W29 V31 A32 E152F26-K144 HydrophobicContact CE1-CD 4.45Å; F26-K144 HydrophobicContact CE1-CG 4.26Å; F26-K144 HydrophobicContact CE2-CB 3.8Å; F26-K144 HydrophobicContact CE2-CG 4.14Å; F26-K144 HydrophobicContact CZ-CB 3.82Å; F26-K144 HydrophobicContact CZ-CD 4.24Å; F26-K144 HydrophobicContact CZ-CG 3.64Å; F26-K144 WeakPolarHBondContact O-CE 3.34Å; F26-K144 PolarHBondContact O-NZ 2.8Å; R27-K144 PolarHBondContact O-NZ 2.96Å; R27-K144 VanDerWaalsContact O-NZ 3.16Å; W29-K144 WeakPolarHBondContact O-CE 3.49Å; W29-K144 PolarHBondContact O-NZ 3.36Å; V31-K144 HydrophobicContact CG2-CD 3.86Å; V31-K144 HydrophobicContact CG2-CG 4.44Å; A32-K144 PolarHBondContact N-O 3.47Å; K144-E152 HydrophobicContact CD-CB 4.13Å; K144-E152 HydrophobicContact CD-CG 4.18Å; K144-E152 VanDerWaalsContact CE-OE2 3.3Å; K144-E152 WeakPolarHBondContact CE-OE2 3.1Å; K144-E152 HydrophobicContact CG-CB 4.17Å; K144-E152 IonicContact NZ-OE1 2.8Å; K144-E152 IonicContact NZ-OE2 2.87Å; K144-E152 PolarHBondContact NZ-OE2 3.2Å
145L98.3Very high96.7Very high0 Ų045.4 Ų45.40%022%0.223CC..EExtended strand (participates in β ladder)trans-106.8149.8173.9-44.9-177.6000109.9F33 A143 E152 I153 T155 V225 V226 Y229F33-L145 HydrophobicContact CB-CD2 3.85Å; F33-L145 CarbonylContact O-C 3.49Å; F33-L145 WeakPolarHBondContact O-CA 3.36Å; A143-L145 HydrophobicContact CB-CD2 4.32Å; L145-E152 CarbonylContact O-C 3.51Å; L145-E152 WeakPolarHBondContact O-CA 3.46Å; L145-I153 HydrophobicContact CB-CB 4.37Å; L145-I153 PolarHBondContact N-O 3.1Å; L145-I153 PolarHBondContact O-N 3.37Å; L145-T155 HydrophobicContact CD1-CG2 3.59Å; L145-T155 HydrophobicContact CG-CG2 3.85Å; L145-V225 HydrophobicContact CB-CG1 4.08Å; L145-V225 HydrophobicContact CB-CG2 4Å; L145-V226 HydrophobicContact CD1-CB 4.47Å; L145-V226 HydrophobicContact CD1-CG2 3.87Å; L145-Y229 HydrophobicContact CD1-CD1 4.12Å; L145-Y229 HydrophobicContact CD1-CG 4.07Å; L145-Y229 HydrophobicContact CD2-CD1 3.94Å; L145-Y229 HydrophobicContact CD2-CD2 3.63Å; L145-Y229 HydrophobicContact CD2-CE1 4.25Å; L145-Y229 HydrophobicContact CD2-CE2 3.94Å; L145-Y229 HydrophobicContact CD2-CG 3.62Å
146V98.2Very high96.8Very high8 Ų842.4 Ų42.45%0.04821%0.205CC..EExtended strand (participates in β ladder)trans-115.4113.8175.1-178.70000110.1V31 F33 R34 W35V31-V146 HydrophobicContact CB-CG2 4.41Å; V31-V146 HydrophobicContact CG1-CG2 3.7Å; V31-V146 HydrophobicContact CG2-CG2 3.75Å; F33-V146 PolarHBondContact O-N 2.89Å; R34-V146 HydrophobicContact CB-CB 4.47Å; R34-V146 HydrophobicContact CG-CB 4.22Å; W35-V146 PolarHBondContact N-O 3.28Å
147A97.6Very high96.9Very high0 Ų035.3 Ų35.30%017%0.172CC..  trans-74.9169178.300000112.3W35 D149 G150 N151 I153 N221 V225W35-A147 VanDerWaalsContact CD1-C 3.48Å; A147-D149 VanDerWaalsContact C-N 3.25Å; A147-D149 WeakPolarHBondContact CB-OD1 3.16Å; A147-D149 PolarHBondContact O-N 3.18Å; A147-G150 WeakPolarHBondContact O-CA 3.31Å; A147-G150 PolarHBondContact O-N 3.29Å; A147-N151 HydrophobicContact CB-CB 4.48Å; A147-N151 PolarHBondContact N-O 3.29Å; A147-I153 HydrophobicContact CB-CG1 4.32Å; A147-N221 HydrophobicContact CB-CB 4.32Å; A147-V225 HydrophobicContact CB-CG1 4Å
148C96.6Very high97.1Very high37 Ų3727.3 Ų27.325%0.2514%0.142CC..THydrogen-bonded Turntrans-68.6-20.6-174.967.70000115W35 G150 N221W35-C148 HydrophobicContact CB-CB 4.41Å; W35-C148 VanDerWaalsContact CD1-CA 3.42Å; W35-C148 HydrophobicContact CD2-CB 3.48Å; W35-C148 VanDerWaalsContact CD2-CB 3.48Å; W35-C148 HydrophobicContact CE3-CB 3.85Å; W35-C148 HydrophobicContact CG-CB 3.72Å; W35-C148 HydrophobicContact CZ2-CB 4.23Å; W35-C148 HydrophobicContact CZ3-CB 4.36Å; C148-G150 VanDerWaalsContact C-N 3.27Å; C148-N221 PolarHBondContact SG-OD1 3.49Å; C148-N221 VanDerWaalsContact SG-OD1 3.38Å
149D95.4Very high97.2Very high56 Ų5628.4 Ų28.430%0.29915%0.149SC..THydrogen-bonded Turntrans-87.55.6171.356.216000113.1A147 N151 H218 N221A147-D149 VanDerWaalsContact C-N 3.25Å; A147-D149 WeakPolarHBondContact CB-OD1 3.16Å; A147-D149 PolarHBondContact O-N 3.18Å; D149-N151 VanDerWaalsContact C-N 3.29Å; D149-N151 PolarHBondContact O-N 2.97Å; D149-N151 VanDerWaalsContact OD1-CB 3.29Å; D149-N151 WeakPolarHBondContact OD1-CB 3.34Å; D149-N151 PolarHBondContact OD1-N 3.5Å; D149-N151 PolarHBondContact OD1-ND2 3.23Å; D149-N151 PolarHBondContact OD2-ND2 2.83Å; D149-H218 IonicContact OD2-CD2 2.94Å; D149-H218 PolarHBondContact OD2-CD2 3.05Å; D149-H218 VanDerWaalsContact OD2-CD2 3.24Å; D149-H218 IonicContact OD2-CG 3.54Å; D149-N221 PolarHBondContact OD2-ND2 3.46Å
150G96.2Very high97.3Very high48 Ų4823.7 Ų23.750%0.49513%0.125SC..SBendtrans81.71.7-179.800000114.3A147 C148 E152A147-G150 WeakPolarHBondContact O-CA 3.31Å; A147-G150 PolarHBondContact O-N 3.29Å; C148-G150 VanDerWaalsContact C-N 3.27Å; G150-E152 PolarHBondContact O-N 3.31Å
151N97.2Very high97.2Very high19 Ų1927 Ų2710%0.10214%0.136CC..  trans-66.1131.4174.8-70.7-45.1000110.8A147 D149 I153 G212A147-N151 HydrophobicContact CB-CB 4.48Å; A147-N151 PolarHBondContact N-O 3.29Å; D149-N151 VanDerWaalsContact C-N 3.29Å; D149-N151 PolarHBondContact O-N 2.97Å; D149-N151 VanDerWaalsContact OD1-CB 3.29Å; D149-N151 WeakPolarHBondContact OD1-CB 3.34Å; D149-N151 PolarHBondContact OD1-N 3.5Å; D149-N151 PolarHBondContact OD1-ND2 3.23Å; D149-N151 PolarHBondContact OD2-ND2 2.83Å; N151-I153 HydrophobicContact CB-CD1 3.99Å; N151-G212 WeakPolarHBondContact OD1-CA 3.39Å
152E97.8Very high97.1Very high47 Ų4729.9 Ų29.922%0.2215%0.154CC..EExtended strand (participates in β ladder)trans-83.6121.2169.9-55-176.7164.400108.6F26 K144 L145 G150 S210 T211F26-E152 HydrophobicContact CE1-CB 3.9Å; F26-E152 HydrophobicContact CZ-CB 4.46Å; K144-E152 HydrophobicContact CD-CB 4.13Å; K144-E152 HydrophobicContact CD-CG 4.18Å; K144-E152 VanDerWaalsContact CE-OE2 3.3Å; K144-E152 WeakPolarHBondContact CE-OE2 3.1Å; K144-E152 HydrophobicContact CG-CB 4.17Å; K144-E152 IonicContact NZ-OE1 2.8Å; K144-E152 IonicContact NZ-OE2 2.87Å; K144-E152 PolarHBondContact NZ-OE2 3.2Å; L145-E152 CarbonylContact O-C 3.51Å; L145-E152 WeakPolarHBondContact O-CA 3.46Å; G150-E152 PolarHBondContact O-N 3.31Å; E152-S210 CarbonylContact O-C 3.55Å; E152-S210 WeakPolarHBondContact O-CA 3.4Å; E152-T211 HydrophobicContact CB-CG2 3.98Å; E152-T211 HydrophobicContact CG-CG2 4.29Å; E152-T211 PolarHBondContact N-OG1 3.18Å; E152-T211 PolarHBondContact O-N 3.2Å
153I98.1Very high96.9Very high0 Ų034.6 Ų34.60%018%0.182CC..EExtended strand (participates in β ladder)trans-108124.1-175.7-52-55.3000109.1L145 A147 N151 T155 W202 P205 A222 V225 V226L145-I153 HydrophobicContact CB-CB 4.37Å; L145-I153 PolarHBondContact N-O 3.1Å; L145-I153 PolarHBondContact O-N 3.37Å; A147-I153 HydrophobicContact CB-CG1 4.32Å; N151-I153 HydrophobicContact CB-CD1 3.99Å; I153-T155 HydrophobicContact CG2-CG2 4.1Å; I153-W202 HydrophobicContact CG2-CB 4.37Å; I153-W202 HydrophobicContact CG2-CE3 4.02Å; I153-P205 HydrophobicContact CD1-CG 4.08Å; I153-A222 HydrophobicContact CD1-CB 3.61Å; I153-A222 HydrophobicContact CG1-CB 3.82Å; I153-V225 HydrophobicContact CG1-CG1 4.44Å; I153-V226 HydrophobicContact CG2-CG2 4.41Å
154D97.3Very high96.6Very high0 Ų036.4 Ų36.40%019%0.193CC..EExtended strand (participates in β ladder)trans-84.8129.1177-17229.3000111Y24 F26 R142 Y184 W202 N203 S210Y24-D154 PolarHBondContact OH-OD2 2.79Å; F26-D154 HydrophobicContact CD2-CB 4.12Å; F26-D154 HydrophobicContact CE1-CB 4.26Å; F26-D154 HydrophobicContact CE2-CB 3.52Å; F26-D154 WeakPolarHBondContact CE2-OD1 3.36Å; F26-D154 HydrophobicContact CZ-CB 3.6Å; R142-D154 IonicContact CZ-OD1 3.52Å; R142-D154 IonicContact CZ-OD2 3.25Å; R142-D154 IonicContact NE-OD1 3.25Å; R142-D154 PolarHBondContact NE-OD1 2.99Å; R142-D154 IonicContact NE-OD2 3.7Å; R142-D154 VanDerWaalsContact NH2-CG 3.29Å; R142-D154 IonicContact NH2-OD1 3.67Å; R142-D154 PolarHBondContact NH2-OD1 3.05Å; R142-D154 IonicContact NH2-OD2 3.53Å; R142-D154 PolarHBondContact NH2-OD2 2.86Å; D154-Y184 HydrophobicContact CB-CE1 4.4Å; D154-Y184 PolarHBondContact OD2-OH 2.85Å; D154-W202 WeakPolarHBondContact O-CA 2.92Å; D154-N203 PolarHBondContact O-N 3.37Å; D154-S210 PolarHBondContact N-OG 3.33Å
155T98Very high96.3Very high0 Ų038.4 Ų38.40%022%0.215CC..EExtended strand (participates in β ladder)trans-138.4154.9-17567.50000112R142 A143 L145 I153 G201 W202 V226R142-T155 CarbonylContact C-O 2.87Å; R142-T155 VanDerWaalsContact CA-O 3.3Å; R142-T155 WeakPolarHBondContact CA-O 3.4Å; R142-T155 WeakPolarHBondContact CG-O 3.33Å; A143-T155 WeakPolarHBondContact CB-OG1 3.45Å; A143-T155 PolarHBondContact N-O 3.06Å; A143-T155 PolarHBondContact O-N 3.43Å; A143-T155 PolarHBondContact O-OG1 2.84Å; L145-T155 HydrophobicContact CD1-CG2 3.59Å; L145-T155 HydrophobicContact CG-CG2 3.85Å; I153-T155 HydrophobicContact CG2-CG2 4.1Å; T155-G201 CarbonylContact C-O 3.58Å; T155-G201 WeakPolarHBondContact CA-O 3.42Å; T155-G201 WeakPolarHBondContact CB-O 3.22Å; T155-W202 HydrophobicContact CG2-CB 3.68Å; T155-V226 HydrophobicContact CG2-CG2 4.29Å
156M97.9Very high95.5Very high0 Ų044 Ų440%025%0.254CS..EExtended strand (participates in β ladder)trans-135.7123.7177.1-174.567.769.500110.4Q131 L134 V135 R141 R142 M158 Y184 L200 G201Q131-M156 HydrophobicContact CG-CE 3.57Å; L134-M156 HydrophobicContact CB-CG 4.21Å; L134-M156 HydrophobicContact CD1-CG 4.08Å; V135-M156 HydrophobicContact CG2-CE 3.86Å; V135-M156 HydrophobicContact CG2-SD 4.23Å; R141-M156 VanDerWaalsContact C-SD 3.56Å; R142-M156 HydrophobicContact CB-CE 3.83Å; R142-M156 HydrophobicContact CB-SD 4.16Å; R142-M156 HydrophobicContact CG-CE 4.16Å; M156-M158 HydrophobicContact CG-SD 3.61Å; M156-Y184 HydrophobicContact CB-CD2 3.67Å; M156-Y184 HydrophobicContact CB-CE2 3.36Å; M156-Y184 HydrophobicContact CE-CE2 4.22Å; M156-Y184 HydrophobicContact CG-CE2 4.14Å; M156-L200 WeakPolarHBondContact O-CA 3.31Å; M156-G201 PolarHBondContact N-O 3.28Å; M156-G201 PolarHBondContact O-N 3.49Å
157F98.6Very high95Very high1 Ų150.2 Ų50.20%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-113.1125.3-179176.9-136.4000112.4G140 R141 D159 L173 V199 L200 L234 F236G140-F157 WeakPolarHBondContact CA-O 3.21Å; R141-F157 PolarHBondContact N-O 2.93Å; R141-F157 VanDerWaalsContact NH2-CD1 3.29Å; R141-F157 PolarHBondContact O-N 2.71Å; F157-D159 HydrophobicContact CD1-CB 4.36Å; F157-D159 HydrophobicContact CE1-CB 3.57Å; F157-D159 HydrophobicContact CE2-CB 4.27Å; F157-D159 HydrophobicContact CZ-CB 3.46Å; F157-D159 VanDerWaalsContact CZ-CB 3.46Å; F157-L173 HydrophobicContact CD2-CD1 4.13Å; F157-L173 HydrophobicContact CE2-CD1 3.74Å; F157-V199 WeakPolarHBondContact CA-O 3.43Å; F157-V199 WeakPolarHBondContact CD2-O 3.21Å; F157-L200 HydrophobicContact CB-CD1 4.1Å; F157-L200 HydrophobicContact CD2-CB 4.5Å; F157-L234 HydrophobicContact CB-CD1 4.39Å; F157-L234 HydrophobicContact CD1-CD1 3.73Å; F157-L234 HydrophobicContact CD1-CD2 3.56Å; F157-L234 HydrophobicContact CD1-CG 4.26Å; F157-L234 HydrophobicContact CD2-CD1 3.9Å; F157-L234 HydrophobicContact CE1-CB 4.49Å; F157-L234 HydrophobicContact CE1-CD1 3.91Å; F157-L234 HydrophobicContact CE1-CD2 3.72Å; F157-L234 HydrophobicContact CE1-CG 4.26Å; F157-L234 HydrophobicContact CE2-CD1 4.16Å; F157-L234 HydrophobicContact CG-CD1 3.74Å; F157-L234 HydrophobicContact CG-CD2 4.34Å; F157-L234 HydrophobicContact CZ-CD1 4.19Å; F157-F236 HydrophobicContact CE1-CE2 4.48Å; F157-F236 AromaticContact CE2-CE2 3.93Å; F157-F236 HydrophobicContact CE2-CE2 3.93Å; F157-F236 HydrophobicContact CE2-CZ 4.19Å; F157-F236 AromaticContact CZ-CE2 3.57Å; F157-F236 HydrophobicContact CZ-CE2 3.57Å; F157-F236 AromaticContact CZ-CZ 3.91Å; F157-F236 HydrophobicContact CZ-CZ 3.91Å
158M98.1Very high94.8Very high0 Ų051 Ų510%029%0.291CS..EExtended strand (participates in β ladder)trans-108.7114171-72.168.46200109.1L134 M156 L189 L193 S198 V199L134-M158 HydrophobicContact CD2-CE 4.34Å; L134-M158 HydrophobicContact CD2-SD 4.34Å; M156-M158 HydrophobicContact CG-SD 3.61Å; M158-L189 HydrophobicContact CE-CD1 3.69Å; M158-L189 HydrophobicContact CE-CD2 3.75Å; M158-L189 HydrophobicContact CE-CG 4.02Å; M158-L193 HydrophobicContact CB-CD1 3.68Å; M158-L193 HydrophobicContact CE-CD1 4.17Å; M158-L193 HydrophobicContact CE-CD2 4.24Å; M158-L193 HydrophobicContact CG-CD1 3.81Å; M158-L193 HydrophobicContact CG-CD2 4.48Å; M158-S198 VanDerWaalsContact O-CA 3.31Å; M158-S198 WeakPolarHBondContact O-CA 3.3Å; M158-V199 HydrophobicContact CE-CB 3.95Å; M158-V199 HydrophobicContact CE-CG1 4.23Å; M158-V199 PolarHBondContact N-O 3.33Å; M158-V199 PolarHBondContact O-N 3.08Å
159D97.8Very high94.7Very high54 Ų5451.8 Ų51.829%0.28929%0.291SS..  trans-97.7115.4-176.1-162-17.9000110.7R141 F157 R161R141-D159 VanDerWaalsContact NH2-CB 3.34Å; R141-D159 IonicContact NH2-OD2 3.3Å; R141-D159 PolarHBondContact NH2-OD2 3.44Å; F157-D159 HydrophobicContact CD1-CB 4.36Å; F157-D159 HydrophobicContact CE1-CB 3.57Å; F157-D159 HydrophobicContact CE2-CB 4.27Å; F157-D159 HydrophobicContact CZ-CB 3.46Å; F157-D159 VanDerWaalsContact CZ-CB 3.46Å; D159-R161 WeakPolarHBondContact OD1-CB 3.36Å; D159-R161 WeakPolarHBondContact OD1-CG 3.41Å; D159-R161 IonicContact OD1-CZ 3.79Å; D159-R161 PolarHBondContact OD1-N 3.23Å; D159-R161 IonicContact OD1-NE 3.84Å; D159-R161 PolarHBondContact OD1-NE 3.48Å; D159-R161 IonicContact OD1-NH2 2.7Å; D159-R161 IonicContact OD2-CZ 2.96Å; D159-R161 IonicContact OD2-NE 3.39Å; D159-R161 PolarHBondContact OD2-NE 3.28Å; D159-R161 IonicContact OD2-NH2 2.88Å; D159-R161 PolarHBondContact OD2-NH2 3.08Å
160R96.6Very high94.7Very high55 Ų5549.1 Ų49.121%0.20828%0.276CS..  trans-111.312.5-178.8-67.9-130.9179.999.7-14.2113.5Q162 D163 P164 G170 L193 G196 Y197 S198R160-Q162 PolarHBondContact O-N 2.9Å; R160-D163 CarbonylContact O-C 3.44Å; R160-D163 PolarHBondContact O-N 2.89Å; R160-D163 VanDerWaalsContact O-O 3.13Å; R160-P164 WeakPolarHBondContact O-CA 3.23Å; R160-G170 CarbonylContact C-O 3.44Å; R160-L193 PolarHBondContact NH1-O 3.38Å; R160-L193 PolarHBondContact NH2-O 2.9Å; R160-G196 VanDerWaalsContact NH1-C 3.32Å; R160-Y197 PolarHBondContact NH1-O 3.49Å; R160-S198 PolarHBondContact N-OG 2.76Å
161R96.4Very high94.8Very high79 Ų7950.6 Ų50.630%0.29827%0.273SS..THydrogen-bonded Turntrans-64.6-26.6-178.7-69.7177.9-70.5-170.9-3.4113.6D159 G170 L234 F236D159-R161 WeakPolarHBondContact OD1-CB 3.36Å; D159-R161 WeakPolarHBondContact OD1-CG 3.41Å; D159-R161 IonicContact OD1-CZ 3.79Å; D159-R161 PolarHBondContact OD1-N 3.23Å; D159-R161 IonicContact OD1-NE 3.84Å; D159-R161 PolarHBondContact OD1-NE 3.48Å; D159-R161 IonicContact OD1-NH2 2.7Å; D159-R161 IonicContact OD2-CZ 2.96Å; D159-R161 IonicContact OD2-NE 3.39Å; D159-R161 PolarHBondContact OD2-NE 3.28Å; D159-R161 IonicContact OD2-NH2 2.88Å; D159-R161 PolarHBondContact OD2-NH2 3.08Å; R161-G170 WeakPolarHBondContact CG-O 3.37Å; R161-L234 PolarHBondContact NH1-O 3.4Å; R161-L234 PolarHBondContact NH2-O 3.09Å; R161-F236 HydrophobicContact CG-CE1 4.22Å; R161-F236 HydrophobicContact CG-CZ 4.21Å
162Q94.3Very high94.8Very high189 Ų18953.8 Ų53.888%0.88328%0.283SS*.THydrogen-bonded Turntrans-78.1-22.4178.4-62.6-61.3-31.700113.3R160R160-Q162 PolarHBondContact O-N 2.9Å
163D91.1Very high94.9Very high126 Ų12651.6 Ų51.667%0.67427%0.273SS*.SBendtrans-136.875.8174.3-177.116.7000109.1R160 G165R160-D163 CarbonylContact O-C 3.44Å; R160-D163 PolarHBondContact O-N 2.89Å; R160-D163 VanDerWaalsContact O-O 3.13Å; D163-G165 PolarHBondContact O-N 3.23Å
164P88.9Confident94.9Very high41 Ų4151.6 Ų51.627%0.26627%0.273SS..  trans-76.4-3.4-168.131.5-36.7000114.2R160 G168 H169 G170 L171R160-P164 WeakPolarHBondContact O-CA 3.23Å; P164-G168 CarbonylContact O-C 3.36Å; P164-G168 VanDerWaalsContact O-C 3.3Å; P164-G168 WeakPolarHBondContact O-CA 3.48Å; P164-H169 PolarHBondContact O-N 2.72Å; P164-G170 PolarHBondContact O-N 3.1Å; P164-G170 VanDerWaalsContact O-N 3.11Å; P164-L171 HydrophobicContact CB-CD2 4.03Å; P164-L171 HydrophobicContact CB-CG 3.81Å
165G91.6Very high95Very high47 Ų4751.6 Ų51.649%0.48527%0.273SS..THydrogen-bonded Turntrans69.4171.3-173.700000113.8D163 H167 G168D163-G165 PolarHBondContact O-N 3.23Å; G165-H167 PolarHBondContact O-N 3.36Å; G165-G168 PolarHBondContact O-N 3.29Å; G165-G168 VanDerWaalsContact O-N 3.08Å
166S81.8Confident95Very high116 Ų11651.6 Ų51.681%0.81127%0.273SS*.THydrogen-bonded Turntrans-60.4-28.6-176.252.90000114.3
167H87.7Confident95.1Very high139 Ų13951.6 Ų51.664%0.64427%0.273SS*.THydrogen-bonded Turntrans-973.6179.8-62.3-67.9000113.6G165 H169G165-H167 PolarHBondContact O-N 3.36Å; H167-H169 WeakPolarHBondContact CB-NE2 3.34Å; H167-H169 PolarHBondContact O-N 2.86Å
168G93.1Very high95Very high18 Ų1851.5 Ų51.519%0.18627%0.273CS..THydrogen-bonded Turntrans67.120.8-179.100000114.2P164 G165 G170 L171P164-G168 CarbonylContact O-C 3.36Å; P164-G168 VanDerWaalsContact O-C 3.3Å; P164-G168 WeakPolarHBondContact O-CA 3.48Å; G165-G168 PolarHBondContact O-N 3.29Å; G165-G168 VanDerWaalsContact O-N 3.08Å; G168-G170 VanDerWaalsContact C-N 3.27Å; G168-G170 PolarHBondContact O-N 2.82Å; G168-L171 WeakPolarHBondContact O-CB 3.42Å; G168-L171 PolarHBondContact O-N 3.1Å; G168-L171 VanDerWaalsContact O-N 3.16Å
169H95.2Very high94.8Very high52 Ų5251.5 Ų51.524%0.24127%0.273CS..G310 helixtrans-57.8-39-177.8-70.4177.5000112.1P164 H167 L171 R172 A195 G196 Y197P164-H169 PolarHBondContact O-N 2.72Å; H167-H169 WeakPolarHBondContact CB-NE2 3.34Å; H167-H169 PolarHBondContact O-N 2.86Å; H169-L171 PolarHBondContact O-N 2.83Å; H169-L171 VanDerWaalsContact O-N 3.1Å; H169-R172 PolarHBondContact O-N 2.92Å; H169-A195 PolarHBondContact ND1-O 3.48Å; H169-G196 CarbonylContact C-O 3.39Å; H169-Y197 HydrophobicContact CB-CD1 3.96Å; H169-Y197 HydrophobicContact CB-CD2 4.24Å; H169-Y197 HydrophobicContact CB-CE1 3.97Å; H169-Y197 HydrophobicContact CB-CE2 4.24Å; H169-Y197 HydrophobicContact CB-CG 4.1Å; H169-Y197 AromaticContact CD2-CZ 3.78Å; H169-Y197 AromaticContact CG-CE1 3.97Å; H169-Y197 AromaticContact CG-CE2 3.9Å; H169-Y197 AromaticContact CG-CZ 3.67Å; H169-Y197 AromaticContact ND1-CE2 3.72Å; H169-Y197 AromaticContact ND1-CZ 3.86Å; H169-Y197 PolarHBondContact NE2-OH 3.02Å; H169-Y197 WeakPolarHBondContact O-CD1 3.41Å
170G96.1Very high94.4Very high0 Ų050.7 Ų50.70%027%0.268CS..G310 helixtrans-65-15.5-179.100000114.7R160 R161 P164 G168 R172 G196 S198R160-G170 CarbonylContact C-O 3.44Å; R161-G170 WeakPolarHBondContact CG-O 3.37Å; P164-G170 PolarHBondContact O-N 3.1Å; P164-G170 VanDerWaalsContact O-N 3.11Å; G168-G170 VanDerWaalsContact C-N 3.27Å; G168-G170 PolarHBondContact O-N 2.82Å; G170-R172 VanDerWaalsContact C-N 3.28Å; G170-G196 WeakPolarHBondContact CA-O 3.4Å; G170-G196 PolarHBondContact N-O 3.19Å; G170-S198 PolarHBondContact O-OG 2.63Å
171L97.3Very high94.1Very high80 Ų8049.5 Ų49.542%0.41927%0.27SS..G310 helixtrans-76.4-16.3173.9-58.6178.6000113.2P164 G168 H169P164-L171 HydrophobicContact CB-CD2 4.03Å; P164-L171 HydrophobicContact CB-CG 3.81Å; G168-L171 WeakPolarHBondContact O-CB 3.42Å; G168-L171 PolarHBondContact O-N 3.1Å; G168-L171 VanDerWaalsContact O-N 3.16Å; H169-L171 PolarHBondContact O-N 2.83Å; H169-L171 VanDerWaalsContact O-N 3.1Å
172R97.9Very high93.7Very high86 Ų8646 Ų4633%0.32526%0.259SS..SBendtrans-100.5139.6176.6-65-178.7179.798.5-1.3110.1H169 G170 Y197 S198 H240H169-R172 PolarHBondContact O-N 2.92Å; G170-R172 VanDerWaalsContact C-N 3.28Å; R172-Y197 HydrophobicContact CB-CD1 4Å; R172-Y197 HydrophobicContact CB-CE1 4.31Å; R172-S198 WeakPolarHBondContact O-CB 3.07Å; R172-S198 PolarHBondContact O-N 2.88Å; R172-H240 CarbonylContact C-O 3.59Å; R172-H240 VanDerWaalsContact CA-O 3.27Å; R172-H240 WeakPolarHBondContact CA-O 3.44Å
173L98.8Very high93.7Very high0 Ų037 Ų370%022%0.217CC..EExtended strand (participates in β ladder)trans-96.6127.7173179.265.7000109.5F157 I175 S198 L200 A230 F236 H240 V241 V242F157-L173 HydrophobicContact CD2-CD1 4.13Å; F157-L173 HydrophobicContact CE2-CD1 3.74Å; L173-I175 HydrophobicContact CD2-CD1 4.45Å; L173-I175 HydrophobicContact CD2-CG1 4.01Å; L173-I175 HydrophobicContact CG-CG1 4.22Å; L173-S198 CarbonylContact C-O 3.3Å; L173-S198 WeakPolarHBondContact CA-O 3.15Å; L173-L200 HydrophobicContact CD1-CB 3.89Å; L173-L200 HydrophobicContact CD2-CB 4.38Å; L173-L200 HydrophobicContact CG-CB 4.45Å; L173-A230 HydrophobicContact CD2-CB 3.48Å; L173-A230 VanDerWaalsContact CD2-CB 3.48Å; L173-F236 HydrophobicContact CB-CB 4.47Å; L173-F236 HydrophobicContact CB-CD1 3.6Å; L173-F236 HydrophobicContact CB-CD2 4.02Å; L173-F236 HydrophobicContact CB-CE1 3.71Å; L173-F236 HydrophobicContact CB-CE2 4.11Å; L173-F236 HydrophobicContact CB-CG 3.76Å; L173-F236 HydrophobicContact CB-CZ 3.96Å; L173-F236 HydrophobicContact CD1-CE2 4.18Å; L173-F236 HydrophobicContact CD1-CZ 4.3Å; L173-F236 HydrophobicContact CD2-CD2 3.81Å; L173-F236 HydrophobicContact CD2-CE2 4.17Å; L173-F236 HydrophobicContact CD2-CG 4.14Å; L173-F236 HydrophobicContact CG-CD2 4.38Å; L173-F236 HydrophobicContact CG-CE2 4.4Å; L173-H240 PolarHBondContact N-O 2.85Å; L173-V241 HydrophobicContact CB-CG2 4.44Å; L173-V241 HydrophobicContact CD2-CG2 4.43Å; L173-V241 CarbonylContact O-C 3.54Å; L173-V241 WeakPolarHBondContact O-CA 3.48Å; L173-V242 PolarHBondContact O-N 2.77Å
174V98.9Very high94Very high0 Ų031.1 Ų31.10%019%0.185CC..EExtended strand (participates in β ladder)trans-100.3117.6166.1-1750000108.5P192 Y197 S198 V199 L200 V242 Y244 F463V174-P192 HydrophobicContact CB-CB 3.94Å; V174-P192 HydrophobicContact CB-CG 4.38Å; V174-P192 HydrophobicContact CG1-CB 3.89Å; V174-P192 HydrophobicContact CG1-CG 3.99Å; V174-P192 HydrophobicContact CG2-CB 3.88Å; V174-Y197 HydrophobicContact CG2-CD1 3.93Å; V174-Y197 HydrophobicContact CG2-CD2 4.49Å; V174-Y197 HydrophobicContact CG2-CG 3.8Å; V174-S198 PolarHBondContact N-O 2.84Å; V174-V199 HydrophobicContact CB-CG2 4.45Å; V174-V199 CarbonylContact O-C 3.51Å; V174-V199 WeakPolarHBondContact O-CA 3.49Å; V174-L200 PolarHBondContact O-N 3.33Å; V174-V242 CarbonylContact C-O 3.59Å; V174-V242 WeakPolarHBondContact CA-O 3.46Å; V174-V242 HydrophobicContact CG2-CB 4.28Å; V174-Y244 HydrophobicContact CG1-CD1 4.46Å; V174-Y244 HydrophobicContact CG1-CG 4.43Å; V174-F463 HydrophobicContact CB-CZ 4.48Å; V174-F463 HydrophobicContact CG1-CE2 4.32Å; V174-F463 HydrophobicContact CG1-CZ 3.79Å; V174-F463 HydrophobicContact CG2-CE1 3.94Å; V174-F463 HydrophobicContact CG2-CZ 3.83Å
175I98.9Very high94.2Very high0 Ų029.7 Ų29.70%018%0.175CC..EExtended strand (participates in β ladder)trans-89.3118.6169.7-55.5177000107.8L173 L200 M223 V226 V227 A230 V241 V242 Y244L173-I175 HydrophobicContact CD2-CD1 4.45Å; L173-I175 HydrophobicContact CD2-CG1 4.01Å; L173-I175 HydrophobicContact CG-CG1 4.22Å; I175-L200 WeakPolarHBondContact CA-O 3.44Å; I175-L200 HydrophobicContact CG1-CB 4.39Å; I175-L200 HydrophobicContact CG1-CD2 4.34Å; I175-M223 HydrophobicContact CD1-CE 4.33Å; I175-M223 HydrophobicContact CG2-CE 3.77Å; I175-V226 HydrophobicContact CD1-CG1 4.46Å; I175-V226 HydrophobicContact CG2-CG1 3.66Å; I175-V227 HydrophobicContact CD1-CG2 4.38Å; I175-A230 HydrophobicContact CD1-CB 4.01Å; I175-V241 HydrophobicContact CD1-CG1 3.63Å; I175-V241 HydrophobicContact CG1-CG1 4Å; I175-V242 PolarHBondContact N-O 2.91Å; I175-Y244 PolarHBondContact O-N 2.94Å
176C98.8Very high94.2Very high0 Ų032.4 Ų32.40%018%0.176CC..EExtended strand (participates in β ladder)trans-96.5116.5-174.6-67.50000110.8L189 V199 L200 W202C176-L189 HydrophobicContact CB-CB 4.27Å; C176-V199 WeakPolarHBondContact SG-CG1 3.25Å; C176-L200 PolarHBondContact N-O 2.99Å; C176-W202 PolarHBondContact O-NE1 3.24Å
177C98.5Very high94.6Very high0 Ų027.7 Ų27.70%015%0.146CC..EExtended strand (participates in β ladder)trans-102.4114.5176.4-63.30000109.5Y244 W246 G249 T252 A253C177-Y244 PolarHBondContact N-O 2.89Å; C177-W246 PolarHBondContact O-N 2.95Å; C177-G249 WeakPolarHBondContact CB-O 3.36Å; C177-T252 VanDerWaalsContact CB-OG1 3.29Å; C177-T252 WeakPolarHBondContact CB-OG1 3.46Å; C177-T252 PolarHBondContact SG-OG1 3.49Å; C177-A253 HydrophobicContact CB-CB 4.46Å
178E96.8Very high94.9Very high0 Ų021.6 Ų21.60%012%0.119CC..  trans-79.9164.6-171.6-69.3-64.5168.900113.9G187 C188 H204 G249E178-G187 WeakPolarHBondContact OE1-CA 3.35Å; E178-G187 WeakPolarHBondContact OE2-CA 3.3Å; E178-C188 VanDerWaalsContact CD-N 3.32Å; E178-C188 VanDerWaalsContact CD-SG 3.6Å; E178-C188 PolarHBondContact OE1-N 3.48Å; E178-C188 PolarHBondContact OE1-SG 3.25Å; E178-C188 PolarHBondContact OE2-N 3.03Å; E178-H204 PolarHBondContact O-NE2 3.09Å; E178-G249 WeakPolarHBondContact O-CA 3.37Å; E178-G249 PolarHBondContact O-N 3Å
179G94.3Very high95Very high0 Ų021 Ų210%011%0.111CC..  trans-78.1179.4173.700000112.8A181 G182 W246G179-A181 PolarHBondContact O-N 2.87Å; G179-A181 VanDerWaalsContact O-N 3.08Å; G179-G182 PolarHBondContact O-N 3.45Å; G179-W246 WeakPolarHBondContact CA-O 3.17Å; G179-W246 VanDerWaalsContact N-CE3 3.3Å
180N90.1Very high95Very high36 Ų3620.3 Ų20.319%0.19311%0.113CC..THydrogen-bonded Turntrans-68.3-10.7-174.465.5-9.8000117.1V111 Y112 P113 G114 F207 V248V111-N180 WeakPolarHBondContact O-CB 3.43Å; V111-N180 PolarHBondContact O-ND2 3.07Å; Y112-N180 CarbonylContact C-O 3.54Å; Y112-N180 HydrophobicContact CD1-CB 4.49Å; P113-N180 VanDerWaalsContact CD-O 3.25Å; P113-N180 WeakPolarHBondContact CD-O 3.43Å; G114-N180 PolarHBondContact N-O 2.9Å; G114-N180 VanDerWaalsContact N-O 3.08Å; N180-F207 WeakPolarHBondContact O-CE1 3.45Å; N180-F207 VanDerWaalsContact O-CZ 3.24Å; N180-F207 WeakPolarHBondContact O-CZ 3.23Å; N180-V248 HydrophobicContact CB-CB 4.11Å; N180-V248 HydrophobicContact CB-CG1 4.5Å; N180-V248 HydrophobicContact CB-CG2 3.84Å
181A89.6Confident95Very high31 Ų3120.4 Ų20.426%0.25611%0.113SC..THydrogen-bonded Turntrans-127.811.9170.100000111.2P113 M119 G179 F183P113-A181 HydrophobicContact CG-CB 4.19Å; M119-A181 HydrophobicContact CE-CB 3.73Å; G179-A181 PolarHBondContact O-N 2.87Å; G179-A181 VanDerWaalsContact O-N 3.08Å; A181-F183 WeakPolarHBondContact O-CD2 3.49Å; A181-F183 WeakPolarHBondContact O-CE2 3.23Å
182G88.6Confident95Very high5 Ų516.6 Ų16.65%0.0529%0.093CC..  trans-87.3150.5-178.800000111.4G179 F207G179-G182 PolarHBondContact O-N 3.45Å; G182-F207 WeakPolarHBondContact O-CD1 3.44Å
183F95.1Very high95Very high1 Ų112.6 Ų12.60%0.0048%0.078CC..  trans-138.1141.1176.9-60.5-94000107.2L123 L127 A181 E185 M186 G187 N203 F207L123-F183 HydrophobicContact CD1-CD2 4.35Å; L123-F183 HydrophobicContact CD1-CE2 3.52Å; L123-F183 HydrophobicContact CD1-CZ 4.14Å; L127-F183 HydrophobicContact CD1-CD1 3.8Å; L127-F183 HydrophobicContact CD1-CE1 3.94Å; L127-F183 HydrophobicContact CD1-CG 4.16Å; L127-F183 HydrophobicContact CD1-CZ 4.41Å; L127-F183 HydrophobicContact CD2-CB 3.49Å; L127-F183 VanDerWaalsContact CD2-CB 3.49Å; L127-F183 HydrophobicContact CD2-CD1 4Å; L127-F183 HydrophobicContact CD2-CD2 3.84Å; L127-F183 HydrophobicContact CD2-CG 3.51Å; L127-F183 HydrophobicContact CG-CG 4.49Å; A181-F183 WeakPolarHBondContact O-CD2 3.49Å; A181-F183 WeakPolarHBondContact O-CE2 3.23Å; F183-E185 WeakPolarHBondContact CB-OE2 3.42Å; F183-E185 PolarHBondContact O-N 2.91Å; F183-M186 HydrophobicContact CB-CG 4.42Å; F183-M186 PolarHBondContact O-N 2.79Å; F183-G187 WeakPolarHBondContact O-CA 3.45Å; F183-G187 PolarHBondContact O-N 3.11Å; F183-N203 VanDerWaalsContact CA-OD1 3.29Å; F183-N203 WeakPolarHBondContact CA-OD1 3.3Å; F183-F207 HydrophobicContact CD1-CB 4.16Å; F183-F207 HydrophobicContact CD1-CD1 4.13Å; F183-F207 HydrophobicContact CE1-CB 3.85Å; F183-F207 AromaticContact CE1-CD1 3.73Å; F183-F207 HydrophobicContact CE1-CD1 3.73Å; F183-F207 HydrophobicContact CE1-CG 4.14Å; F183-F207 AromaticContact CZ-CD1 3.98Å; F183-F207 HydrophobicContact CZ-CD1 3.98Å
184Y95.6Very high94.8Very high1 Ų117 Ų170%0.00410%0.099CC..THydrogen-bonded Turntrans-59.2-26-176.574.5-104.8000112.3L134 D154 M156 M186 N203L134-Y184 HydrophobicContact CD1-CD2 3.95Å; L134-Y184 HydrophobicContact CD1-CE2 4.14Å; D154-Y184 HydrophobicContact CB-CE1 4.4Å; D154-Y184 PolarHBondContact OD2-OH 2.85Å; M156-Y184 HydrophobicContact CB-CD2 3.67Å; M156-Y184 HydrophobicContact CB-CE2 3.36Å; M156-Y184 HydrophobicContact CE-CE2 4.22Å; M156-Y184 HydrophobicContact CG-CE2 4.14Å; Y184-M186 PolarHBondContact O-N 3.29Å; Y184-N203 HydrophobicContact CD1-CB 4.24Å; Y184-N203 VanDerWaalsContact CD1-ND2 3.32Å; Y184-N203 WeakPolarHBondContact CD1-ND2 3.17Å; Y184-N203 WeakPolarHBondContact CD1-OD1 3.47Å; Y184-N203 HydrophobicContact CE1-CB 4.49Å; Y184-N203 WeakPolarHBondContact CE1-ND2 3.29Å; Y184-N203 PolarHBondContact N-OD1 2.94Å
185E94.8Very high94.7Very high11 Ų1118 Ų185%0.05111%0.107CC..THydrogen-bonded Turntrans-63.2-24.6-179.6-64.493.6143.100113.2Y24 L127 G130 Q131 F183 N203Y24-E185 PolarHBondContact OH-OE1 3.44Å; L127-E185 HydrophobicContact CB-CB 4.47Å; L127-E185 HydrophobicContact CB-CG 4.38Å; L127-E185 HydrophobicContact CD2-CB 4.09Å; L127-E185 WeakPolarHBondContact O-CG 3.4Å; G130-E185 WeakPolarHBondContact CA-O 3.48Å; Q131-E185 HydrophobicContact CB-CG 4.04Å; F183-E185 WeakPolarHBondContact CB-OE2 3.42Å; F183-E185 PolarHBondContact O-N 2.91Å; E185-N203 PolarHBondContact OE1-ND2 2.88Å; E185-N203 PolarHBondContact OE2-ND2 2.93Å; E185-N203 PolarHBondContact OE2-OD1 2.8Å
186M90.3Very high94.6Very high105 Ų10519.1 Ų19.152%0.51712%0.118SC..THydrogen-bonded Turntrans-147.710.3-172.961.5177.3-74.800114.7L126 L127 F183 Y184L126-M186 HydrophobicContact CB-SD 4.39Å; L127-M186 HydrophobicContact CD2-CG 4.13Å; L127-M186 HydrophobicContact CD2-SD 3.94Å; F183-M186 HydrophobicContact CB-CG 4.42Å; F183-M186 PolarHBondContact O-N 2.79Å; Y184-M186 PolarHBondContact O-N 3.29Å
187G90.2Very high94.6Very high17 Ų1719.4 Ų19.418%0.17512%0.12CC..SBendtrans-102.2-142-170.500000114.8E178 F183 L189 S190E178-G187 WeakPolarHBondContact OE1-CA 3.35Å; E178-G187 WeakPolarHBondContact OE2-CA 3.3Å; F183-G187 WeakPolarHBondContact O-CA 3.45Å; F183-G187 PolarHBondContact O-N 3.11Å; G187-L189 PolarHBondContact O-N 3.09Å; G187-L189 VanDerWaalsContact O-N 3.16Å; G187-S190 PolarHBondContact O-OG 3.09Å
188C93.9Very high94.6Very high11 Ų1119.4 Ų19.47%0.07412%0.12CC..THydrogen-bonded Turntrans-67.7-13.1-17375.50000113.6E178 S190 P192 Y244 W246E178-C188 VanDerWaalsContact CD-N 3.32Å; E178-C188 VanDerWaalsContact CD-SG 3.6Å; E178-C188 PolarHBondContact OE1-N 3.48Å; E178-C188 PolarHBondContact OE1-SG 3.25Å; E178-C188 PolarHBondContact OE2-N 3.03Å; C188-S190 PolarHBondContact O-N 3.36Å; C188-P192 VanDerWaalsContact O-CD 3.27Å; C188-P192 WeakPolarHBondContact O-CD 3.37Å; C188-Y244 HydrophobicContact CB-CD1 4.39Å; C188-Y244 HydrophobicContact CB-CE1 3.67Å; C188-Y244 WeakPolarHBondContact O-CE1 3.41Å; C188-W246 HydrophobicContact CB-CB 3.74Å; C188-W246 HydrophobicContact CB-CG 4.31Å
189L95.6Very high94.7Very high4 Ų419.4 Ų19.42%0.02112%0.12CC..THydrogen-bonded Turntrans-56.6-31.1177-179.4143000115.1L134 M158 C176 G187 A191 P192 L193 V199 G201L134-L189 HydrophobicContact CD1-CD2 4.25Å; L134-L189 HydrophobicContact CD2-CD2 3.65Å; M158-L189 HydrophobicContact CE-CD1 3.69Å; M158-L189 HydrophobicContact CE-CD2 3.75Å; M158-L189 HydrophobicContact CE-CG 4.02Å; C176-L189 HydrophobicContact CB-CB 4.27Å; G187-L189 PolarHBondContact O-N 3.09Å; G187-L189 VanDerWaalsContact O-N 3.16Å; L189-A191 PolarHBondContact O-N 2.97Å; L189-P192 WeakPolarHBondContact O-CD 3.43Å; L189-P192 WeakPolarHBondContact O-CG 3.45Å; L189-L193 HydrophobicContact CD2-CB 4.36Å; L189-L193 HydrophobicContact CD2-CD2 3.87Å; L189-L193 VanDerWaalsContact O-CB 3.24Å; L189-L193 WeakPolarHBondContact O-CB 3.49Å; L189-L193 PolarHBondContact O-N 3.26Å; L189-V199 HydrophobicContact CD1-CG1 3.93Å; L189-V199 HydrophobicContact CG-CG1 3.72Å; L189-G201 VanDerWaalsContact CD1-CA 3.49Å
190S94.8Very high94.9Very high39 Ų3919.4 Ų19.427%0.27312%0.12SC..Hα-helixtrans-62.3-44.6-173.655.80000113.3G187 C188 L193 E194G187-S190 PolarHBondContact O-OG 3.09Å; C188-S190 PolarHBondContact O-N 3.36Å; S190-L193 CarbonylContact O-C 3.51Å; S190-L193 PolarHBondContact O-N 3.41Å; S190-E194 WeakPolarHBondContact O-CB 3.14Å; S190-E194 WeakPolarHBondContact O-CG 3.46Å; S190-E194 PolarHBondContact O-N 3.5Å
191A96.5Very high95.3Very high1 Ų117.7 Ų17.71%0.00811%0.111CC..Hα-helixtrans-60.7-55.8-175.700000113.8L189 L193 E194 A195 L458 F463L189-A191 PolarHBondContact O-N 2.97Å; A191-L193 VanDerWaalsContact C-N 3.27Å; A191-L193 PolarHBondContact O-N 3.37Å; A191-E194 PolarHBondContact O-N 3.48Å; A191-A195 VanDerWaalsContact O-CB 3.3Å; A191-A195 WeakPolarHBondContact O-CB 3.49Å; A191-A195 PolarHBondContact O-N 2.89Å; A191-L458 HydrophobicContact CB-CB 3.9Å; A191-L458 HydrophobicContact CB-CD2 4.14Å; A191-L458 HydrophobicContact CB-CG 4.24Å; A191-L458 VanDerWaalsContact CB-O 3.23Å; A191-L458 WeakPolarHBondContact CB-O 3.11Å; A191-F463 HydrophobicContact CB-CB 4.33Å
192P97.6Very high95.7Very high0 Ų016.3 Ų16.30%010%0.099CC..Hα-helixtrans-65.3-31.5175.925.9-34.3000112.4V174 C188 L189 A195 G196 Y197 V199 Y244 F463V174-P192 HydrophobicContact CB-CB 3.94Å; V174-P192 HydrophobicContact CB-CG 4.38Å; V174-P192 HydrophobicContact CG1-CB 3.89Å; V174-P192 HydrophobicContact CG1-CG 3.99Å; V174-P192 HydrophobicContact CG2-CB 3.88Å; C188-P192 VanDerWaalsContact O-CD 3.27Å; C188-P192 WeakPolarHBondContact O-CD 3.37Å; L189-P192 WeakPolarHBondContact O-CD 3.43Å; L189-P192 WeakPolarHBondContact O-CG 3.45Å; P192-A195 PolarHBondContact O-N 3.49Å; P192-G196 PolarHBondContact O-N 2.95Å; P192-Y197 HydrophobicContact CB-CD2 4.39Å; P192-Y197 WeakPolarHBondContact O-CB 3.25Å; P192-Y197 WeakPolarHBondContact O-CD2 3.44Å; P192-Y197 PolarHBondContact O-N 3.36Å; P192-Y197 VanDerWaalsContact O-N 3.1Å; P192-V199 HydrophobicContact CB-CG2 4.08Å; P192-V199 HydrophobicContact CG-CG1 4.46Å; P192-V199 HydrophobicContact CG-CG2 4.22Å; P192-Y244 HydrophobicContact CG-CD1 4.26Å; P192-F463 HydrophobicContact CB-CD1 3.95Å; P192-F463 HydrophobicContact CB-CD2 4.34Å; P192-F463 HydrophobicContact CB-CE1 3.78Å; P192-F463 HydrophobicContact CB-CE2 4.18Å; P192-F463 HydrophobicContact CB-CG 4.24Å; P192-F463 HydrophobicContact CB-CZ 3.9Å
193L97.1Very high96.1Very high2 Ų216 Ų161%0.0110%0.096CC..Hα-helixtrans-67-43.7176.4-176.968000110.5L134 Y138 M158 R160 L189 S190 A191 A195 G196 V199L134-L193 HydrophobicContact CD2-CD2 3.74Å; Y138-L193 HydrophobicContact CD1-CD1 4.22Å; Y138-L193 HydrophobicContact CD1-CD2 3.75Å; Y138-L193 HydrophobicContact CD1-CG 3.95Å; Y138-L193 HydrophobicContact CD2-CD2 3.99Å; Y138-L193 HydrophobicContact CE1-CD2 3.98Å; Y138-L193 HydrophobicContact CE1-CG 4.13Å; Y138-L193 HydrophobicContact CE2-CD2 4.21Å; Y138-L193 HydrophobicContact CG-CD2 3.74Å; Y138-L193 HydrophobicContact CG-CG 4.4Å; M158-L193 HydrophobicContact CB-CD1 3.68Å; M158-L193 HydrophobicContact CE-CD1 4.17Å; M158-L193 HydrophobicContact CE-CD2 4.24Å; M158-L193 HydrophobicContact CG-CD1 3.81Å; M158-L193 HydrophobicContact CG-CD2 4.48Å; R160-L193 PolarHBondContact NH1-O 3.38Å; R160-L193 PolarHBondContact NH2-O 2.9Å; L189-L193 HydrophobicContact CD2-CB 4.36Å; L189-L193 HydrophobicContact CD2-CD2 3.87Å; L189-L193 VanDerWaalsContact O-CB 3.24Å; L189-L193 WeakPolarHBondContact O-CB 3.49Å; L189-L193 PolarHBondContact O-N 3.26Å; S190-L193 CarbonylContact O-C 3.51Å; S190-L193 PolarHBondContact O-N 3.41Å; A191-L193 VanDerWaalsContact C-N 3.27Å; A191-L193 PolarHBondContact O-N 3.37Å; L193-A195 VanDerWaalsContact C-N 3.31Å; L193-A195 PolarHBondContact O-N 2.91Å; L193-G196 PolarHBondContact O-N 3.32Å; L193-V199 HydrophobicContact CB-CG2 3.98Å; L193-V199 HydrophobicContact CD1-CB 4.44Å; L193-V199 HydrophobicContact CD1-CG2 4.21Å
194E95.9Very high96.2Very high92 Ų9216 Ų1643%0.4310%0.096SC..Hα-helixtrans-75.3-24.9179.2-70.2-178.8-177.400111.7R133 Y138 S190 A191 G196 P460R133-E194 IonicContact NH2-OE1 2.86Å; R133-E194 PolarHBondContact NH2-OE1 3.45Å; R133-E194 VanDerWaalsContact NH2-OE1 3.09Å; Y138-E194 PolarHBondContact OH-OE1 3.22Å; S190-E194 WeakPolarHBondContact O-CB 3.14Å; S190-E194 WeakPolarHBondContact O-CG 3.46Å; S190-E194 PolarHBondContact O-N 3.5Å; A191-E194 PolarHBondContact O-N 3.48Å; E194-G196 PolarHBondContact O-N 3.01Å; E194-P460 HydrophobicContact CB-CB 4.02Å; E194-P460 HydrophobicContact CB-CG 3.55Å
195A96.2Very high96.3Very high22 Ų2216 Ų1618%0.18210%0.096CC..THydrogen-bonded Turntrans-73.7-0.6171.300000114.6H169 A191 P192 L193 Y197 P460H169-A195 PolarHBondContact ND1-O 3.48Å; A191-A195 VanDerWaalsContact O-CB 3.3Å; A191-A195 WeakPolarHBondContact O-CB 3.49Å; A191-A195 PolarHBondContact O-N 2.89Å; P192-A195 PolarHBondContact O-N 3.49Å; L193-A195 VanDerWaalsContact C-N 3.31Å; L193-A195 PolarHBondContact O-N 2.91Å; A195-Y197 HydrophobicContact CB-CD2 3.93Å; A195-Y197 HydrophobicContact CB-CE2 3.92Å; A195-P460 HydrophobicContact CB-CB 4.24Å
196G96.6Very high96.3Very high23 Ų2316.3 Ų16.324%0.23710%0.102CC..THydrogen-bonded Turntrans93.59171.600000116.3R160 H169 G170 P192 L193 E194R160-G196 VanDerWaalsContact NH1-C 3.32Å; H169-G196 CarbonylContact C-O 3.39Å; G170-G196 WeakPolarHBondContact CA-O 3.4Å; G170-G196 PolarHBondContact N-O 3.19Å; P192-G196 PolarHBondContact O-N 2.95Å; L193-G196 PolarHBondContact O-N 3.32Å; E194-G196 PolarHBondContact O-N 3.01Å
197Y98.3Very high96.5Very high7 Ų711.3 Ų11.33%0.0278%0.078CC..  trans-76.8159.7178.1-66.8-91.2000112.8R160 H169 R172 V174 P192 A195 F463 L465R160-Y197 PolarHBondContact NH1-O 3.49Å; H169-Y197 HydrophobicContact CB-CD1 3.96Å; H169-Y197 HydrophobicContact CB-CD2 4.24Å; H169-Y197 HydrophobicContact CB-CE1 3.97Å; H169-Y197 HydrophobicContact CB-CE2 4.24Å; H169-Y197 HydrophobicContact CB-CG 4.1Å; H169-Y197 AromaticContact CD2-CZ 3.78Å; H169-Y197 AromaticContact CG-CE1 3.97Å; H169-Y197 AromaticContact CG-CE2 3.9Å; H169-Y197 AromaticContact CG-CZ 3.67Å; H169-Y197 AromaticContact ND1-CE2 3.72Å; H169-Y197 AromaticContact ND1-CZ 3.86Å; H169-Y197 PolarHBondContact NE2-OH 3.02Å; H169-Y197 WeakPolarHBondContact O-CD1 3.41Å; R172-Y197 HydrophobicContact CB-CD1 4Å; R172-Y197 HydrophobicContact CB-CE1 4.31Å; V174-Y197 HydrophobicContact CG2-CD1 3.93Å; V174-Y197 HydrophobicContact CG2-CD2 4.49Å; V174-Y197 HydrophobicContact CG2-CG 3.8Å; P192-Y197 HydrophobicContact CB-CD2 4.39Å; P192-Y197 WeakPolarHBondContact O-CB 3.25Å; P192-Y197 WeakPolarHBondContact O-CD2 3.44Å; P192-Y197 PolarHBondContact O-N 3.36Å; P192-Y197 VanDerWaalsContact O-N 3.1Å; A195-Y197 HydrophobicContact CB-CD2 3.93Å; A195-Y197 HydrophobicContact CB-CE2 3.92Å; Y197-F463 HydrophobicContact CD2-CD1 4.14Å; Y197-F463 HydrophobicContact CD2-CE1 4Å; Y197-F463 AromaticContact CE2-CD1 3.78Å; Y197-F463 HydrophobicContact CE2-CD1 3.78Å; Y197-F463 AromaticContact CE2-CE1 3.79Å; Y197-F463 HydrophobicContact CE2-CE1 3.79Å; Y197-L465 HydrophobicContact CE1-CD1 4.24Å; Y197-L465 HydrophobicContact CE1-CD2 4.22Å; Y197-L465 HydrophobicContact CE1-CG 4.34Å
198S98.6Very high96.5Very high0 Ų011.4 Ų11.40%08%0.078CC..EExtended strand (participates in β ladder)trans-70.8141.4156.2-69.10000108.1M158 R160 G170 R172 L173 V174M158-S198 VanDerWaalsContact O-CA 3.31Å; M158-S198 WeakPolarHBondContact O-CA 3.3Å; R160-S198 PolarHBondContact N-OG 2.76Å; G170-S198 PolarHBondContact O-OG 2.63Å; R172-S198 WeakPolarHBondContact O-CB 3.07Å; R172-S198 PolarHBondContact O-N 2.88Å; L173-S198 CarbonylContact C-O 3.3Å; L173-S198 WeakPolarHBondContact CA-O 3.15Å; V174-S198 PolarHBondContact N-O 2.84Å
199V98.6Very high96.3Very high0 Ų011.2 Ų11.20%08%0.079CC..EExtended strand (participates in β ladder)trans-136.6136.3-174.1-174.70000111.8F157 M158 V174 C176 L189 P192 L193F157-V199 WeakPolarHBondContact CA-O 3.43Å; F157-V199 WeakPolarHBondContact CD2-O 3.21Å; M158-V199 HydrophobicContact CE-CB 3.95Å; M158-V199 HydrophobicContact CE-CG1 4.23Å; M158-V199 PolarHBondContact N-O 3.33Å; M158-V199 PolarHBondContact O-N 3.08Å; V174-V199 HydrophobicContact CB-CG2 4.45Å; V174-V199 CarbonylContact O-C 3.51Å; V174-V199 WeakPolarHBondContact O-CA 3.49Å; C176-V199 WeakPolarHBondContact SG-CG1 3.25Å; L189-V199 HydrophobicContact CD1-CG1 3.93Å; L189-V199 HydrophobicContact CG-CG1 3.72Å; P192-V199 HydrophobicContact CB-CG2 4.08Å; P192-V199 HydrophobicContact CG-CG1 4.46Å; P192-V199 HydrophobicContact CG-CG2 4.22Å; L193-V199 HydrophobicContact CB-CG2 3.98Å; L193-V199 HydrophobicContact CD1-CB 4.44Å; L193-V199 HydrophobicContact CD1-CG2 4.21Å
200L98.8Very high96.3Very high0 Ų011.4 Ų11.40%08%0.08CC..EExtended strand (participates in β ladder)trans-117.9109.6171.8176.362.1000109.3M156 F157 L173 V174 I175 C176 V226 Y229 A230 L234M156-L200 WeakPolarHBondContact O-CA 3.31Å; F157-L200 HydrophobicContact CB-CD1 4.1Å; F157-L200 HydrophobicContact CD2-CB 4.5Å; L173-L200 HydrophobicContact CD1-CB 3.89Å; L173-L200 HydrophobicContact CD2-CB 4.38Å; L173-L200 HydrophobicContact CG-CB 4.45Å; V174-L200 PolarHBondContact O-N 3.33Å; I175-L200 WeakPolarHBondContact CA-O 3.44Å; I175-L200 HydrophobicContact CG1-CB 4.39Å; I175-L200 HydrophobicContact CG1-CD2 4.34Å; C176-L200 PolarHBondContact N-O 2.99Å; L200-V226 HydrophobicContact CD2-CG1 3.76Å; L200-V226 HydrophobicContact CG-CG1 4.34Å; L200-Y229 HydrophobicContact CD1-CD1 4.46Å; L200-Y229 HydrophobicContact CD1-CE1 4.39Å; L200-Y229 HydrophobicContact CD2-CD1 4.2Å; L200-A230 HydrophobicContact CD2-CB 4.21Å; L200-L234 HydrophobicContact CD2-CD1 4.36Å
201G98.4Very high96.4Very high0 Ų011.8 Ų11.80%08%0.081CC..EExtended strand (participates in β ladder)trans-93.4149.7170.900000111.8T155 M156 L189T155-G201 CarbonylContact C-O 3.58Å; T155-G201 WeakPolarHBondContact CA-O 3.42Å; T155-G201 WeakPolarHBondContact CB-O 3.22Å; M156-G201 PolarHBondContact N-O 3.28Å; M156-G201 PolarHBondContact O-N 3.49Å; L189-G201 VanDerWaalsContact CD1-CA 3.49Å
202W98.4Very high96.3Very high1 Ų113.6 Ų13.60%0.00410%0.1CC..EExtended strand (participates in β ladder)trans-148.8153.5175.567.7-77.5000111.2I153 D154 T155 C176 A222 M223 V226 T252I153-W202 HydrophobicContact CG2-CB 4.37Å; I153-W202 HydrophobicContact CG2-CE3 4.02Å; D154-W202 WeakPolarHBondContact O-CA 2.92Å; T155-W202 HydrophobicContact CG2-CB 3.68Å; C176-W202 PolarHBondContact O-NE1 3.24Å; W202-A222 HydrophobicContact CE3-CB 4.23Å; W202-A222 HydrophobicContact CH2-CB 4.26Å; W202-A222 HydrophobicContact CZ3-CB 3.59Å; W202-M223 HydrophobicContact CZ2-CB 4.41Å; W202-M223 HydrophobicContact CZ2-SD 3.76Å; W202-V226 HydrophobicContact CB-CG2 3.95Å; W202-V226 HydrophobicContact CD2-CG2 4.11Å; W202-V226 HydrophobicContact CE3-CG2 4.45Å; W202-V226 HydrophobicContact CG-CG1 4.31Å; W202-V226 HydrophobicContact CG-CG2 3.88Å; W202-T252 HydrophobicContact CH2-CG2 3.89Å; W202-T252 HydrophobicContact CZ2-CG2 4.02Å
203N97.4Very high96.1Very high0 Ų016.2 Ų16.20%012%0.116CC..PPolyproline II helixtrans-104135.5177.1-80.2-26.8000111.2D154 F183 Y184 E185 F207 S210D154-N203 PolarHBondContact O-N 3.37Å; F183-N203 VanDerWaalsContact CA-OD1 3.29Å; F183-N203 WeakPolarHBondContact CA-OD1 3.3Å; Y184-N203 HydrophobicContact CD1-CB 4.24Å; Y184-N203 VanDerWaalsContact CD1-ND2 3.32Å; Y184-N203 WeakPolarHBondContact CD1-ND2 3.17Å; Y184-N203 WeakPolarHBondContact CD1-OD1 3.47Å; Y184-N203 HydrophobicContact CE1-CB 4.49Å; Y184-N203 WeakPolarHBondContact CE1-ND2 3.29Å; Y184-N203 PolarHBondContact N-OD1 2.94Å; E185-N203 PolarHBondContact OE1-ND2 2.88Å; E185-N203 PolarHBondContact OE2-ND2 2.93Å; E185-N203 PolarHBondContact OE2-OD1 2.8Å; N203-F207 HydrophobicContact CB-CB 4.11Å; N203-S210 PolarHBondContact O-OG 3.1Å
204H97.3Very high96Very high1 Ų116.1 Ų16.11%0.00512%0.115CC..PPolyproline II helixtrans-50.1153.2173.2-67.2-84.7000112.4E178 G206 F207 S210 D219E178-H204 PolarHBondContact O-NE2 3.09Å; H204-G206 PolarHBondContact O-N 2.69Å; H204-F207 HydrophobicContact CB-CB 4.25Å; H204-F207 HydrophobicContact CB-CD1 4.39Å; H204-F207 HydrophobicContact CB-CD2 3.54Å; H204-F207 HydrophobicContact CB-CE2 3.85Å; H204-F207 HydrophobicContact CB-CG 3.84Å; H204-F207 HydrophobicContact CB-CZ 4.41Å; H204-F207 WeakPolarHBondContact O-CB 3.27Å; H204-F207 PolarHBondContact O-N 2.9Å; H204-S210 WeakPolarHBondContact O-CB 3.4Å; H204-D219 IonicContact CE1-OD1 3.1Å; H204-D219 IonicContact CE1-OD2 2.7Å; H204-D219 IonicContact CG-OD1 2.9Å; H204-D219 IonicContact ND1-OD1 3.16Å; H204-D219 PolarHBondContact ND1-OD1 3Å; H204-D219 IonicContact ND1-OD2 2.7Å; H204-D219 PolarHBondContact ND1-OD2 3.28Å
205P96.8Very high96Very high0 Ų012.8 Ų12.80%010%0.099CC..THydrogen-bonded Turntrans-51.9126.9169.7-26.636.5000111.7I153 T211 V213 P214 H218 D219 A222I153-P205 HydrophobicContact CD1-CG 4.08Å; P205-T211 CarbonylContact C-O 3.57Å; P205-T211 WeakPolarHBondContact CA-O 3.46Å; P205-V213 CarbonylContact O-C 3.48Å; P205-P214 VanDerWaalsContact O-CD 3.28Å; P205-P214 WeakPolarHBondContact O-CD 3.48Å; P205-H218 HydrophobicContact CB-CB 4.11Å; P205-H218 HydrophobicContact CG-CB 3.8Å; P205-D219 VanDerWaalsContact CD-OD1 3.26Å; P205-D219 WeakPolarHBondContact CD-OD1 3.48Å; P205-A222 HydrophobicContact CG-CB 4.02Å
206G94.4Very high96Very high18 Ų1812.2 Ų12.219%0.1869%0.094CC..THydrogen-bonded Turntrans81.85.3-175.900000115.8S115 H204 S210 T211 G212S115-G206 WeakPolarHBondContact CA-O 3.24Å; H204-G206 PolarHBondContact O-N 2.69Å; G206-S210 WeakPolarHBondContact CA-O 3.32Å; G206-S210 PolarHBondContact N-O 3.46Å; G206-T211 PolarHBondContact N-O 2.98Å; G206-G212 VanDerWaalsContact CA-O 3.26Å; G206-G212 WeakPolarHBondContact CA-O 3.34Å
207F94.6Very high96Very high0 Ų013.5 Ų13.50%09%0.094CC..SBendtrans-104.5138.4175.5-76.8-130.8000111Y112 N180 G182 F183 N203 H204 G209 S210 P214Y112-F207 HydrophobicContact CD1-CE2 4.24Å; Y112-F207 HydrophobicContact CD1-CZ 4.1Å; N180-F207 WeakPolarHBondContact O-CE1 3.45Å; N180-F207 VanDerWaalsContact O-CZ 3.24Å; N180-F207 WeakPolarHBondContact O-CZ 3.23Å; G182-F207 WeakPolarHBondContact O-CD1 3.44Å; F183-F207 HydrophobicContact CD1-CB 4.16Å; F183-F207 HydrophobicContact CD1-CD1 4.13Å; F183-F207 HydrophobicContact CE1-CB 3.85Å; F183-F207 AromaticContact CE1-CD1 3.73Å; F183-F207 HydrophobicContact CE1-CD1 3.73Å; F183-F207 HydrophobicContact CE1-CG 4.14Å; F183-F207 AromaticContact CZ-CD1 3.98Å; F183-F207 HydrophobicContact CZ-CD1 3.98Å; N203-F207 HydrophobicContact CB-CB 4.11Å; H204-F207 HydrophobicContact CB-CB 4.25Å; H204-F207 HydrophobicContact CB-CD1 4.39Å; H204-F207 HydrophobicContact CB-CD2 3.54Å; H204-F207 HydrophobicContact CB-CE2 3.85Å; H204-F207 HydrophobicContact CB-CG 3.84Å; H204-F207 HydrophobicContact CB-CZ 4.41Å; H204-F207 WeakPolarHBondContact O-CB 3.27Å; H204-F207 PolarHBondContact O-N 2.9Å; F207-G209 PolarHBondContact O-N 3.14Å; F207-G209 VanDerWaalsContact O-N 3.13Å; F207-S210 WeakPolarHBondContact O-CB 3.41Å; F207-S210 PolarHBondContact O-N 2.85Å; F207-P214 HydrophobicContact CE2-CB 4.15Å; F207-P214 HydrophobicContact CE2-CG 4.1Å
208G90.7Very high96Very high18 Ų1815.6 Ų15.619%0.18610%0.104CC..THydrogen-bonded Turntrans54.9-119.9173.600000111
209G90.4Very high96Very high8 Ų815.6 Ų15.68%0.08210%0.104CC..THydrogen-bonded Turntrans-74.8-24.9173.900000116.3Y24 F26 F207Y24-G209 PolarHBondContact OH-N 2.98Å; F26-G209 WeakPolarHBondContact CD1-O 3.34Å; F26-G209 WeakPolarHBondContact CE1-O 3.36Å; F207-G209 PolarHBondContact O-N 3.14Å; F207-G209 VanDerWaalsContact O-N 3.13Å
210S95.5Very high95.9Very high7 Ų715.6 Ų15.65%0.04910%0.104CC..  trans-67.1136.9-172.1-62.20000111.7E152 D154 N203 H204 G206 F207E152-S210 CarbonylContact O-C 3.55Å; E152-S210 WeakPolarHBondContact O-CA 3.4Å; D154-S210 PolarHBondContact N-OG 3.33Å; N203-S210 PolarHBondContact O-OG 3.1Å; H204-S210 WeakPolarHBondContact O-CB 3.4Å; G206-S210 WeakPolarHBondContact CA-O 3.32Å; G206-S210 PolarHBondContact N-O 3.46Å; F207-S210 WeakPolarHBondContact O-CB 3.41Å; F207-S210 PolarHBondContact O-N 2.85Å
211T95.6Very high95.9Very high48 Ų4816.4 Ų16.429%0.29411%0.108SC..  trans-81.1175.2176.865.90000111.5E152 P205 G206E152-T211 HydrophobicContact CB-CG2 3.98Å; E152-T211 HydrophobicContact CG-CG2 4.29Å; E152-T211 PolarHBondContact N-OG1 3.18Å; E152-T211 PolarHBondContact O-N 3.2Å; P205-T211 CarbonylContact C-O 3.57Å; P205-T211 WeakPolarHBondContact CA-O 3.46Å; G206-T211 PolarHBondContact N-O 2.98Å
212G94.6Very high95.9Very high39 Ų3916.4 Ų16.440%0.40211%0.108SC..SBendtrans87-156.3174.600000113.5N151 G206N151-G212 WeakPolarHBondContact OD1-CA 3.39Å; G206-G212 VanDerWaalsContact CA-O 3.26Å; G206-G212 WeakPolarHBondContact CA-O 3.34Å
213V94.6Very high95.9Very high55 Ų5516.4 Ų16.433%0.33311%0.108SC..  trans-142.4146-179.4-68.40000109.9R108 P205 F215 H218R108-V213 VanDerWaalsContact NH1-CB 3.34Å; P205-V213 CarbonylContact O-C 3.48Å; V213-F215 HydrophobicContact CG2-CD2 3.97Å; V213-F215 HydrophobicContact CG2-CE2 3.89Å; V213-F215 PolarHBondContact O-N 3.22Å; V213-H218 PolarHBondContact O-ND1 3.5Å
214P94.8Very high96Very high0 Ų016.9 Ų16.90%011%0.11CC..  trans-78.7127.6-174.132.4-37.6000111R108 Y112 S115 P205 F207R108-P214 HydrophobicContact CG-CG 4.17Å; Y112-P214 VanDerWaalsContact CB-CG 3.41Å; Y112-P214 HydrophobicContact CD1-CB 3.82Å; Y112-P214 HydrophobicContact CD1-CG 4.34Å; Y112-P214 HydrophobicContact CD2-CB 3.74Å; Y112-P214 HydrophobicContact CD2-CG 3.92Å; Y112-P214 HydrophobicContact CE1-CB 4.18Å; Y112-P214 HydrophobicContact CE2-CB 4.15Å; Y112-P214 HydrophobicContact CG-CB 3.55Å; Y112-P214 HydrophobicContact CG-CG 3.67Å; S115-P214 WeakPolarHBondContact OG-CG 3.48Å; P205-P214 VanDerWaalsContact O-CD 3.28Å; P205-P214 WeakPolarHBondContact O-CD 3.48Å; F207-P214 HydrophobicContact CE2-CB 4.15Å; F207-P214 HydrophobicContact CE2-CG 4.1Å
215F96.1Very high96Very high21 Ų2116.8 Ų16.89%0.09211%0.11CC..  trans-149.9155.2167.4-78.1-79.7000107.5H104 V213 Q217 H218 D219 F299H104-F215 AromaticContact CE1-CZ 3.54Å; H104-F215 AromaticContact ND1-CZ 3.62Å; H104-F215 AromaticContact NE2-CZ 3.96Å; V213-F215 HydrophobicContact CG2-CD2 3.97Å; V213-F215 HydrophobicContact CG2-CE2 3.89Å; V213-F215 PolarHBondContact O-N 3.22Å; F215-Q217 PolarHBondContact O-N 3.5Å; F215-Q217 VanDerWaalsContact O-N 3.08Å; F215-H218 AromaticContact CD2-CE1 3.84Å; F215-H218 AromaticContact CD2-ND1 3.8Å; F215-H218 PolarHBondContact O-N 3.48Å; F215-D219 PolarHBondContact O-N 2.9Å; F215-F299 HydrophobicContact CD1-CD1 4.41Å; F215-F299 AromaticContact CD1-CE1 3.62Å; F215-F299 HydrophobicContact CD1-CE1 3.62Å; F215-F299 AromaticContact CD1-CZ 3.82Å; F215-F299 HydrophobicContact CD1-CZ 3.82Å; F215-F299 AromaticContact CE1-CE1 3.83Å; F215-F299 HydrophobicContact CE1-CE1 3.83Å; F215-F299 HydrophobicContact CE1-CE2 4.32Å; F215-F299 AromaticContact CE1-CZ 3.5Å; F215-F299 HydrophobicContact CE1-CZ 3.5Å; F215-F299 HydrophobicContact CZ-CZ 4.44Å
216P96.6Very high96.1Very high11 Ų1116.8 Ų16.87%0.07111%0.11CC..Hα-helixtrans-51.4-39.3-177.9-26.432.1000113.7A220 F251 H298 F299 L301P216-A220 WeakPolarHBondContact O-CB 3.48Å; P216-A220 PolarHBondContact O-N 3.03Å; P216-F251 HydrophobicContact CB-CE1 3.87Å; P216-F251 HydrophobicContact CB-CE2 4.36Å; P216-F251 HydrophobicContact CB-CZ 3.6Å; P216-F251 WeakPolarHBondContact O-CE1 3.43Å; P216-H298 VanDerWaalsContact CD-O 3.26Å; P216-H298 WeakPolarHBondContact CD-O 3.18Å; P216-F299 HydrophobicContact CG-CD1 4.43Å; P216-L301 HydrophobicContact CB-CD2 4.23Å; P216-L301 HydrophobicContact CG-CD2 3.85Å
217Q96.4Very high96.3Very high50 Ų5016 Ų1623%0.23410%0.101CC..Hα-helixtrans-69.6-39178.1-172.160.860.100113F215 A220 N221F215-Q217 PolarHBondContact O-N 3.5Å; F215-Q217 VanDerWaalsContact O-N 3.08Å; Q217-A220 WeakPolarHBondContact O-CB 3.4Å; Q217-A220 PolarHBondContact O-N 2.86Å; Q217-N221 PolarHBondContact NE2-OD1 3.18Å; Q217-N221 PolarHBondContact O-N 3.07Å; Q217-N221 PolarHBondContact O-ND2 2.9Å; Q217-N221 PolarHBondContact O-OD1 2.77Å
218H97.6Very high96.5Very high51 Ų5116.9 Ų16.924%0.23611%0.105CC..Hα-helixtrans-70.4-36.6177.1-55.6153.3000111.1D149 P205 V213 F215 N221 A222D149-H218 IonicContact OD2-CD2 2.94Å; D149-H218 PolarHBondContact OD2-CD2 3.05Å; D149-H218 VanDerWaalsContact OD2-CD2 3.24Å; D149-H218 IonicContact OD2-CG 3.54Å; P205-H218 HydrophobicContact CB-CB 4.11Å; P205-H218 HydrophobicContact CG-CB 3.8Å; V213-H218 PolarHBondContact O-ND1 3.5Å; F215-H218 AromaticContact CD2-CE1 3.84Å; F215-H218 AromaticContact CD2-ND1 3.8Å; F215-H218 PolarHBondContact O-N 3.48Å; H218-N221 PolarHBondContact O-N 3.29Å; H218-A222 WeakPolarHBondContact O-CB 3.49Å; H218-A222 PolarHBondContact O-N 3.11Å
219D97.7Very high96.9Very high0 Ų017 Ų170%010%0.1CC..Hα-helixtrans-61.2-43.5172.3-86.3-17.7000111.5Y112 H204 P205 F215 A222 M223 F251 T252Y112-D219 WeakPolarHBondContact CE1-OD2 3.34Å; Y112-D219 VanDerWaalsContact CZ-OD2 3.29Å; Y112-D219 PolarHBondContact OH-OD2 3.26Å; H204-D219 IonicContact CE1-OD1 3.1Å; H204-D219 IonicContact CE1-OD2 2.7Å; H204-D219 IonicContact CG-OD1 2.9Å; H204-D219 IonicContact ND1-OD1 3.16Å; H204-D219 PolarHBondContact ND1-OD1 3Å; H204-D219 IonicContact ND1-OD2 2.7Å; H204-D219 PolarHBondContact ND1-OD2 3.28Å; P205-D219 VanDerWaalsContact CD-OD1 3.26Å; P205-D219 WeakPolarHBondContact CD-OD1 3.48Å; F215-D219 PolarHBondContact O-N 2.9Å; D219-A222 PolarHBondContact O-N 2.7Å; D219-M223 VanDerWaalsContact O-CB 3.28Å; D219-M223 WeakPolarHBondContact O-CB 3.38Å; D219-M223 PolarHBondContact O-N 3.47Å; D219-F251 HydrophobicContact CB-CE1 4.44Å; D219-T252 HydrophobicContact CB-CG2 3.63Å
220A98Very high97.3Very high0 Ų016.6 Ų16.60%010%0.096CC..Hα-helixtrans-60.8-46.3173.400000112.1P216 Q217 A222 M223 D224 W255P216-A220 WeakPolarHBondContact O-CB 3.48Å; P216-A220 PolarHBondContact O-N 3.03Å; Q217-A220 WeakPolarHBondContact O-CB 3.4Å; Q217-A220 PolarHBondContact O-N 2.86Å; A220-A222 VanDerWaalsContact C-N 3.34Å; A220-A222 PolarHBondContact O-N 2.79Å; A220-M223 PolarHBondContact O-N 2.68Å; A220-D224 WeakPolarHBondContact O-CB 3.49Å; A220-D224 PolarHBondContact O-N 3.32Å; A220-W255 HydrophobicContact CB-CD2 3.86Å; A220-W255 VanDerWaalsContact CB-CE2 3.48Å; A220-W255 HydrophobicContact CB-CE3 4.46Å; A220-W255 HydrophobicContact CB-CG 4.22Å; A220-W255 HydrophobicContact CB-CH2 4.44Å; A220-W255 HydrophobicContact CB-CZ2 3.78Å; A220-W255 WeakPolarHBondContact O-CH2 3.43Å; A220-W255 WeakPolarHBondContact O-CZ3 3.46Å
221N98.3Very high97.4Very high17 Ų1717.6 Ų17.69%0.09110%0.101CC..Hα-helixtrans-63.2-38.9177.9-63.4-16.2000112.4A147 C148 D149 Q217 H218 D224 V225A147-N221 HydrophobicContact CB-CB 4.32Å; C148-N221 PolarHBondContact SG-OD1 3.49Å; C148-N221 VanDerWaalsContact SG-OD1 3.38Å; D149-N221 PolarHBondContact OD2-ND2 3.46Å; Q217-N221 PolarHBondContact NE2-OD1 3.18Å; Q217-N221 PolarHBondContact O-N 3.07Å; Q217-N221 PolarHBondContact O-ND2 2.9Å; Q217-N221 PolarHBondContact O-OD1 2.77Å; H218-N221 PolarHBondContact O-N 3.29Å; N221-D224 WeakPolarHBondContact O-CB 3.37Å; N221-V225 PolarHBondContact O-N 3.19Å
222A98.6Very high97.5Very high0 Ų019 Ų190%010%0.104CC..Hα-helixtrans-67.3-45.7175.400000111.2I153 W202 P205 H218 D219 A220 D224 V225 V226I153-A222 HydrophobicContact CD1-CB 3.61Å; I153-A222 HydrophobicContact CG1-CB 3.82Å; W202-A222 HydrophobicContact CE3-CB 4.23Å; W202-A222 HydrophobicContact CH2-CB 4.26Å; W202-A222 HydrophobicContact CZ3-CB 3.59Å; P205-A222 HydrophobicContact CG-CB 4.02Å; H218-A222 WeakPolarHBondContact O-CB 3.49Å; H218-A222 PolarHBondContact O-N 3.11Å; D219-A222 PolarHBondContact O-N 2.7Å; A220-A222 VanDerWaalsContact C-N 3.34Å; A220-A222 PolarHBondContact O-N 2.79Å; A222-D224 VanDerWaalsContact C-N 3.28Å; A222-D224 PolarHBondContact O-N 2.86Å; A222-V225 WeakPolarHBondContact O-CG1 3.44Å; A222-V225 PolarHBondContact O-N 3.05Å; A222-V226 VanDerWaalsContact O-CG2 3.24Å; A222-V226 WeakPolarHBondContact O-CG2 3.3Å; A222-V226 PolarHBondContact O-N 3.03Å; A222-V226 VanDerWaalsContact O-N 3.09Å
223M98.6Very high97.6Very high0 Ų024.5 Ų24.50%011%0.113CC..Hα-helixtrans-60.6-39.3177.2-171.367.4-130.700111.7I175 W202 D219 A220 V226 V227 V243 W255 A256I175-M223 HydrophobicContact CD1-CE 4.33Å; I175-M223 HydrophobicContact CG2-CE 3.77Å; W202-M223 HydrophobicContact CZ2-CB 4.41Å; W202-M223 HydrophobicContact CZ2-SD 3.76Å; D219-M223 VanDerWaalsContact O-CB 3.28Å; D219-M223 WeakPolarHBondContact O-CB 3.38Å; D219-M223 PolarHBondContact O-N 3.47Å; A220-M223 PolarHBondContact O-N 2.68Å; M223-V226 HydrophobicContact CE-CB 4.49Å; M223-V226 HydrophobicContact CE-CG1 4.17Å; M223-V226 PolarHBondContact O-N 3.26Å; M223-V227 HydrophobicContact CE-CG2 3.37Å; M223-V227 WeakPolarHBondContact O-CG2 3.24Å; M223-V227 PolarHBondContact O-N 3.27Å; M223-V243 HydrophobicContact CE-CG1 4.44Å; M223-W255 HydrophobicContact CB-CE3 4.1Å; M223-W255 HydrophobicContact CB-CZ3 4.24Å; M223-W255 HydrophobicContact CG-CE3 4.05Å; M223-W255 HydrophobicContact CG-CZ3 4.36Å; M223-A256 HydrophobicContact CE-CB 3.83Å; M223-A256 HydrophobicContact CG-CB 3.73Å; M223-A256 HydrophobicContact SD-CB 4.23Å
224D98.6Very high97.7Very high10 Ų1022.3 Ų22.35%0.05310%0.099CC..Hα-helixtrans-55.3-54.4176.3-17340.9000112.1A220 N221 A222 V226 V227 Q228 W255 Y260A220-D224 WeakPolarHBondContact O-CB 3.49Å; A220-D224 PolarHBondContact O-N 3.32Å; N221-D224 WeakPolarHBondContact O-CB 3.37Å; A222-D224 VanDerWaalsContact C-N 3.28Å; A222-D224 PolarHBondContact O-N 2.86Å; D224-V226 VanDerWaalsContact C-N 3.28Å; D224-V226 PolarHBondContact O-N 3.44Å; D224-V227 PolarHBondContact O-N 2.94Å; D224-Q228 WeakPolarHBondContact O-CG 3.29Å; D224-Q228 PolarHBondContact O-N 3.17Å; D224-Q228 PolarHBondContact OD1-NE2 3.47Å; D224-Q228 PolarHBondContact OD2-NE2 2.97Å; D224-W255 HydrophobicContact CB-CH2 3.82Å; D224-W255 HydrophobicContact CB-CZ3 4.1Å; D224-Y260 PolarHBondContact OD1-OH 3.37Å
225V98.6Very high97.9Very high0 Ų029 Ų290%013%0.13CC..Hα-helixtrans-66.9-30.5179.868.40000112.1F33 W35 L145 A147 I153 N221 A222 Y229F33-V225 HydrophobicContact CD1-CG2 3.81Å; F33-V225 HydrophobicContact CE1-CG2 4.15Å; W35-V225 HydrophobicContact CB-CB 4.28Å; W35-V225 HydrophobicContact CB-CG2 4.25Å; L145-V225 HydrophobicContact CB-CG1 4.08Å; L145-V225 HydrophobicContact CB-CG2 4Å; A147-V225 HydrophobicContact CB-CG1 4Å; I153-V225 HydrophobicContact CG1-CG1 4.44Å; N221-V225 PolarHBondContact O-N 3.19Å; A222-V225 WeakPolarHBondContact O-CG1 3.44Å; A222-V225 PolarHBondContact O-N 3.05Å; V225-Y229 VanDerWaalsContact O-CB 3.23Å; V225-Y229 WeakPolarHBondContact O-CB 3.47Å; V225-Y229 PolarHBondContact O-N 2.76Å
226V98.8Very high98Very high0 Ų028.5 Ų28.50%013%0.128CC..Hα-helixtrans-65.3-45.7174.5169.80000111.4L145 I153 T155 I175 L200 W202 A222 M223 D224 Y229 A230L145-V226 HydrophobicContact CD1-CB 4.47Å; L145-V226 HydrophobicContact CD1-CG2 3.87Å; I153-V226 HydrophobicContact CG2-CG2 4.41Å; T155-V226 HydrophobicContact CG2-CG2 4.29Å; I175-V226 HydrophobicContact CD1-CG1 4.46Å; I175-V226 HydrophobicContact CG2-CG1 3.66Å; L200-V226 HydrophobicContact CD2-CG1 3.76Å; L200-V226 HydrophobicContact CG-CG1 4.34Å; W202-V226 HydrophobicContact CB-CG2 3.95Å; W202-V226 HydrophobicContact CD2-CG2 4.11Å; W202-V226 HydrophobicContact CE3-CG2 4.45Å; W202-V226 HydrophobicContact CG-CG1 4.31Å; W202-V226 HydrophobicContact CG-CG2 3.88Å; A222-V226 VanDerWaalsContact O-CG2 3.24Å; A222-V226 WeakPolarHBondContact O-CG2 3.3Å; A222-V226 PolarHBondContact O-N 3.03Å; A222-V226 VanDerWaalsContact O-N 3.09Å; M223-V226 HydrophobicContact CE-CB 4.49Å; M223-V226 HydrophobicContact CE-CG1 4.17Å; M223-V226 PolarHBondContact O-N 3.26Å; D224-V226 VanDerWaalsContact C-N 3.28Å; D224-V226 PolarHBondContact O-N 3.44Å; V226-Y229 PolarHBondContact O-N 2.62Å; V226-A230 PolarHBondContact O-N 3.49Å; V226-A230 VanDerWaalsContact O-N 3.07Å
227V98.7Very high98Very high0 Ų031 Ų310%015%0.146CC..Hα-helixtrans-63.8-47.3175.2176.70000110.4I175 M223 D224 Y229 A230 L231 A256 Y260 L263I175-V227 HydrophobicContact CD1-CG2 4.38Å; M223-V227 HydrophobicContact CE-CG2 3.37Å; M223-V227 WeakPolarHBondContact O-CG2 3.24Å; M223-V227 PolarHBondContact O-N 3.27Å; D224-V227 PolarHBondContact O-N 2.94Å; V227-Y229 VanDerWaalsContact C-N 3.29Å; V227-Y229 PolarHBondContact O-N 3.1Å; V227-A230 WeakPolarHBondContact O-CB 3.34Å; V227-A230 PolarHBondContact O-N 3.06Å; V227-A230 VanDerWaalsContact O-N 3.11Å; V227-L231 HydrophobicContact CG1-CD1 3.82Å; V227-L231 HydrophobicContact CG1-CG 4.16Å; V227-L231 WeakPolarHBondContact O-CG 3.48Å; V227-L231 PolarHBondContact O-N 3.45Å; V227-A256 HydrophobicContact CG2-CB 4.18Å; V227-Y260 HydrophobicContact CB-CD2 4.23Å; V227-Y260 HydrophobicContact CB-CE2 3.98Å; V227-Y260 HydrophobicContact CG1-CD1 3.88Å; V227-Y260 HydrophobicContact CG1-CD2 3.81Å; V227-Y260 HydrophobicContact CG1-CE1 3.92Å; V227-Y260 HydrophobicContact CG1-CE2 3.89Å; V227-Y260 HydrophobicContact CG1-CG 3.82Å; V227-Y260 HydrophobicContact CG2-CD2 4.25Å; V227-Y260 HydrophobicContact CG2-CE2 4.3Å; V227-L263 HydrophobicContact CG1-CD1 4.5Å; V227-L263 HydrophobicContact CG1-CD2 4.32Å
228Q98.3Very high98Very high19 Ų1930.4 Ų30.49%0.08915%0.146CC..Hα-helixtrans-60.5-40.1179.1-71.2-179.94000112.1F33 W35 D224 A230 L231 H232 Y260F33-Q228 HydrophobicContact CE1-CB 3.72Å; F33-Q228 HydrophobicContact CZ-CB 4.05Å; W35-Q228 PolarHBondContact O-OE1 3.17Å; W35-Q228 VanDerWaalsContact O-OE1 3.13Å; D224-Q228 WeakPolarHBondContact O-CG 3.29Å; D224-Q228 PolarHBondContact O-N 3.17Å; D224-Q228 PolarHBondContact OD1-NE2 3.47Å; D224-Q228 PolarHBondContact OD2-NE2 2.97Å; Q228-A230 PolarHBondContact O-N 2.87Å; Q228-L231 PolarHBondContact O-N 2.94Å; Q228-H232 VanDerWaalsContact O-CB 3.31Å; Q228-H232 WeakPolarHBondContact O-CB 3.21Å; Q228-H232 PolarHBondContact O-CD2 3.23Å; Q228-H232 VanDerWaalsContact O-CD2 3.23Å; Q228-H232 PolarHBondContact O-N 3.31Å; Q228-Y260 WeakPolarHBondContact CG-OH 3.35Å
229Y98.6Very high97.9Very high20 Ų2030.9 Ų30.98%0.07816%0.159CC..Iπ-helixtrans-59.8-45.8174.1178.9-115.8000111.6F33 A143 L145 L200 V225 V226 V227 L231 R233 L234F33-Y229 HydrophobicContact CB-CD2 3.5Å; F33-Y229 HydrophobicContact CB-CE2 4.04Å; F33-Y229 HydrophobicContact CB-CG 4.45Å; F33-Y229 HydrophobicContact CD1-CD2 4.18Å; F33-Y229 HydrophobicContact CD2-CD2 4.29Å; F33-Y229 AromaticContact CG-CD2 3.76Å; F33-Y229 HydrophobicContact CG-CD2 3.76Å; A143-Y229 HydrophobicContact CB-CE1 4.32Å; L145-Y229 HydrophobicContact CD1-CD1 4.12Å; L145-Y229 HydrophobicContact CD1-CG 4.07Å; L145-Y229 HydrophobicContact CD2-CD1 3.94Å; L145-Y229 HydrophobicContact CD2-CD2 3.63Å; L145-Y229 HydrophobicContact CD2-CE1 4.25Å; L145-Y229 HydrophobicContact CD2-CE2 3.94Å; L145-Y229 HydrophobicContact CD2-CG 3.62Å; L200-Y229 HydrophobicContact CD1-CD1 4.46Å; L200-Y229 HydrophobicContact CD1-CE1 4.39Å; L200-Y229 HydrophobicContact CD2-CD1 4.2Å; V225-Y229 VanDerWaalsContact O-CB 3.23Å; V225-Y229 WeakPolarHBondContact O-CB 3.47Å; V225-Y229 PolarHBondContact O-N 2.76Å; V226-Y229 PolarHBondContact O-N 2.62Å; V227-Y229 VanDerWaalsContact C-N 3.29Å; V227-Y229 PolarHBondContact O-N 3.1Å; Y229-L231 PolarHBondContact O-N 2.78Å; Y229-R233 HydrophobicContact CD2-CB 3.56Å; Y229-R233 HydrophobicContact CD2-CG 3.75Å; Y229-R233 HydrophobicContact CE2-CB 3.79Å; Y229-R233 HydrophobicContact CE2-CG 3.43Å; Y229-R233 VanDerWaalsContact CE2-CG 3.43Å; Y229-R233 HydrophobicContact CG-CB 4.48Å; Y229-R233 WeakPolarHBondContact O-CA 3.21Å; Y229-R233 WeakPolarHBondContact O-CB 3.28Å; Y229-R233 PolarHBondContact O-N 3.22Å; Y229-L234 HydrophobicContact CD1-CD1 3.9Å; Y229-L234 HydrophobicContact CD1-CG 4.01Å; Y229-L234 HydrophobicContact CE1-CD1 3.64Å; Y229-L234 HydrophobicContact CE1-CD2 3.79Å; Y229-L234 HydrophobicContact CE1-CG 3.71Å; Y229-L234 HydrophobicContact CE2-CD2 4.37Å; Y229-L234 PolarHBondContact O-N 3.35Å
230A98.6Very high97.9Very high0 Ų035 Ų350%018%0.178CC..Iπ-helixtrans-59.7-44.417700000113.1L173 I175 L200 V226 V227 Q228 L234 H235 F236L173-A230 HydrophobicContact CD2-CB 3.48Å; L173-A230 VanDerWaalsContact CD2-CB 3.48Å; I175-A230 HydrophobicContact CD1-CB 4.01Å; L200-A230 HydrophobicContact CD2-CB 4.21Å; V226-A230 PolarHBondContact O-N 3.49Å; V226-A230 VanDerWaalsContact O-N 3.07Å; V227-A230 WeakPolarHBondContact O-CB 3.34Å; V227-A230 PolarHBondContact O-N 3.06Å; V227-A230 VanDerWaalsContact O-N 3.11Å; Q228-A230 PolarHBondContact O-N 2.87Å; A230-L234 CarbonylContact O-C 3.59Å; A230-L234 WeakPolarHBondContact O-CB 3.24Å; A230-H235 PolarHBondContact O-N 2.89Å; A230-F236 PolarHBondContact O-N 3.26Å; A230-F236 VanDerWaalsContact O-N 3.12Å
231L98Very high97.9Very high28 Ų2835 Ų3515%0.14718%0.178CC..Iπ-helixtrans-77-47-176.6-61.5-178.3000112.3V227 Q228 Y229 H235 F236 P238 V241 Y260 L263V227-L231 HydrophobicContact CG1-CD1 3.82Å; V227-L231 HydrophobicContact CG1-CG 4.16Å; V227-L231 WeakPolarHBondContact O-CG 3.48Å; V227-L231 PolarHBondContact O-N 3.45Å; Q228-L231 PolarHBondContact O-N 2.94Å; Y229-L231 PolarHBondContact O-N 2.78Å; L231-H235 WeakPolarHBondContact O-CA 3.35Å; L231-F236 WeakPolarHBondContact CD2-O 3.32Å; L231-P238 HydrophobicContact CD1-CG 4.49Å; L231-P238 HydrophobicContact CD2-CB 4.33Å; L231-P238 HydrophobicContact CD2-CG 3.95Å; L231-V241 HydrophobicContact CD2-CG2 3.93Å; L231-Y260 HydrophobicContact CD1-CD1 4.39Å; L231-L263 HydrophobicContact CD2-CD2 4.45Å
232H97.2Very high98Very high79 Ų7934.3 Ų34.337%0.36618%0.175SC..Iπ-helixtrans-96.9-28.9-167-59.7-64000114F33 V38 Q228 H235F33-H232 HydrophobicContact CE2-CB 4.38Å; F33-H232 HydrophobicContact CZ-CB 4.32Å; V38-H232 HydrophobicContact CG2-CB 4.25Å; V38-H232 VanDerWaalsContact CG2-CD2 3.4Å; V38-H232 WeakPolarHBondContact CG2-CD2 3.28Å; Q228-H232 VanDerWaalsContact O-CB 3.31Å; Q228-H232 WeakPolarHBondContact O-CB 3.21Å; Q228-H232 PolarHBondContact O-CD2 3.23Å; Q228-H232 VanDerWaalsContact O-CD2 3.23Å; Q228-H232 PolarHBondContact O-N 3.31Å; H232-H235 PolarHBondContact O-CE1 3.27Å; H232-H235 PolarHBondContact O-ND1 3.37Å
233R97.2Very high98Very high153 Ų15334.3 Ų34.358%0.57718%0.175SC*.Iπ-helixtrans-107.5-37-177.9-174.857.9173-160-0.1113F33 Y229 H235F33-R233 HydrophobicContact CD2-CB 3.92Å; F33-R233 HydrophobicContact CD2-CG 4.39Å; F33-R233 HydrophobicContact CE2-CB 4.2Å; Y229-R233 HydrophobicContact CD2-CB 3.56Å; Y229-R233 HydrophobicContact CD2-CG 3.75Å; Y229-R233 HydrophobicContact CE2-CB 3.79Å; Y229-R233 HydrophobicContact CE2-CG 3.43Å; Y229-R233 VanDerWaalsContact CE2-CG 3.43Å; Y229-R233 HydrophobicContact CG-CB 4.48Å; Y229-R233 WeakPolarHBondContact O-CA 3.21Å; Y229-R233 WeakPolarHBondContact O-CB 3.28Å; Y229-R233 PolarHBondContact O-N 3.22Å; R233-H235 PolarHBondContact O-CD2 2.87Å
234L97.7Very high98Very high10 Ų1034.4 Ų34.45%0.05218%0.175CC..SBendtrans-87.4-12.5174.1-56.1-175.8000112.8F157 R161 L200 Y229 A230 F236F157-L234 HydrophobicContact CB-CD1 4.39Å; F157-L234 HydrophobicContact CD1-CD1 3.73Å; F157-L234 HydrophobicContact CD1-CD2 3.56Å; F157-L234 HydrophobicContact CD1-CG 4.26Å; F157-L234 HydrophobicContact CD2-CD1 3.9Å; F157-L234 HydrophobicContact CE1-CB 4.49Å; F157-L234 HydrophobicContact CE1-CD1 3.91Å; F157-L234 HydrophobicContact CE1-CD2 3.72Å; F157-L234 HydrophobicContact CE1-CG 4.26Å; F157-L234 HydrophobicContact CE2-CD1 4.16Å; F157-L234 HydrophobicContact CG-CD1 3.74Å; F157-L234 HydrophobicContact CG-CD2 4.34Å; F157-L234 HydrophobicContact CZ-CD1 4.19Å; R161-L234 PolarHBondContact NH1-O 3.4Å; R161-L234 PolarHBondContact NH2-O 3.09Å; L200-L234 HydrophobicContact CD2-CD1 4.36Å; Y229-L234 HydrophobicContact CD1-CD1 3.9Å; Y229-L234 HydrophobicContact CD1-CG 4.01Å; Y229-L234 HydrophobicContact CE1-CD1 3.64Å; Y229-L234 HydrophobicContact CE1-CD2 3.79Å; Y229-L234 HydrophobicContact CE1-CG 3.71Å; Y229-L234 HydrophobicContact CE2-CD2 4.37Å; Y229-L234 PolarHBondContact O-N 3.35Å; A230-L234 CarbonylContact O-C 3.59Å; A230-L234 WeakPolarHBondContact O-CB 3.24Å; L234-F236 HydrophobicContact CB-CD2 3.84Å; L234-F236 HydrophobicContact CB-CE2 4.07Å; L234-F236 PolarHBondContact O-N 2.8Å
235H97.4Very high98Very high141 Ų14133.9 Ų33.965%0.65317%0.172SC*.  trans59.639.4175.5-53.9-64.5000113.9A230 L231 H232 R233A230-H235 PolarHBondContact O-N 2.89Å; L231-H235 WeakPolarHBondContact O-CA 3.35Å; H232-H235 PolarHBondContact O-CE1 3.27Å; H232-H235 PolarHBondContact O-ND1 3.37Å; R233-H235 PolarHBondContact O-CD2 2.87Å
236F97.9Very high98Very high9 Ų935.2 Ų35.24%0.03918%0.177CC..  trans-81.9134.7165.8-75.2-90.8000110F157 R161 L173 A230 L231 L234 V241F157-F236 HydrophobicContact CE1-CE2 4.48Å; F157-F236 AromaticContact CE2-CE2 3.93Å; F157-F236 HydrophobicContact CE2-CE2 3.93Å; F157-F236 HydrophobicContact CE2-CZ 4.19Å; F157-F236 AromaticContact CZ-CE2 3.57Å; F157-F236 HydrophobicContact CZ-CE2 3.57Å; F157-F236 AromaticContact CZ-CZ 3.91Å; F157-F236 HydrophobicContact CZ-CZ 3.91Å; R161-F236 HydrophobicContact CG-CE1 4.22Å; R161-F236 HydrophobicContact CG-CZ 4.21Å; L173-F236 HydrophobicContact CB-CB 4.47Å; L173-F236 HydrophobicContact CB-CD1 3.6Å; L173-F236 HydrophobicContact CB-CD2 4.02Å; L173-F236 HydrophobicContact CB-CE1 3.71Å; L173-F236 HydrophobicContact CB-CE2 4.11Å; L173-F236 HydrophobicContact CB-CG 3.76Å; L173-F236 HydrophobicContact CB-CZ 3.96Å; L173-F236 HydrophobicContact CD1-CE2 4.18Å; L173-F236 HydrophobicContact CD1-CZ 4.3Å; L173-F236 HydrophobicContact CD2-CD2 3.81Å; L173-F236 HydrophobicContact CD2-CE2 4.17Å; L173-F236 HydrophobicContact CD2-CG 4.14Å; L173-F236 HydrophobicContact CG-CD2 4.38Å; L173-F236 HydrophobicContact CG-CE2 4.4Å; A230-F236 PolarHBondContact O-N 3.26Å; A230-F236 VanDerWaalsContact O-N 3.12Å; L231-F236 WeakPolarHBondContact CD2-O 3.32Å; L234-F236 HydrophobicContact CB-CD2 3.84Å; L234-F236 HydrophobicContact CB-CE2 4.07Å; L234-F236 PolarHBondContact O-N 2.8Å; F236-V241 HydrophobicContact CB-CG2 3.75Å
237S96.8Very high97.9Very high63 Ų6335.4 Ų35.444%0.44118%0.179SC..  trans-64140.6168173.90000109.6A239 H240 V241S237-A239 PolarHBondContact O-N 3.46Å; S237-A239 VanDerWaalsContact O-N 3.15Å; S237-H240 WeakPolarHBondContact O-CA 3.43Å; S237-H240 PolarHBondContact O-N 3Å; S237-V241 PolarHBondContact O-N 2.98Å
238P96.8Very high97.8Very high39 Ų3935.7 Ų35.725%0.25318%0.18SC..G310 helixtrans-49.1-42.2177.1-28.334.4000113.4L231 H240 V241 G262 L263 G264L231-P238 HydrophobicContact CD1-CG 4.49Å; L231-P238 HydrophobicContact CD2-CB 4.33Å; L231-P238 HydrophobicContact CD2-CG 3.95Å; P238-H240 PolarHBondContact O-N 3.3Å; P238-H240 VanDerWaalsContact O-N 3.11Å; P238-V241 PolarHBondContact O-N 3.4Å; P238-G262 CarbonylContact C-O 3.57Å; P238-G262 VanDerWaalsContact CB-O 3.26Å; P238-G262 WeakPolarHBondContact CB-O 3.49Å; P238-L263 HydrophobicContact CB-CD2 4.48Å; P238-L263 CarbonylContact O-C 3.54Å; P238-L263 WeakPolarHBondContact O-CA 3.32Å; P238-G264 PolarHBondContact O-N 2.72Å
239A96.1Very high97.8Very high61 Ų6134.8 Ų34.850%0.50418%0.176SC..G310 helixtrans-63.9-17.5179.100000114.3S237 G264S237-A239 PolarHBondContact O-N 3.46Å; S237-A239 VanDerWaalsContact O-N 3.15Å; A239-G264 WeakPolarHBondContact O-CA 3.19Å
240H97.6Very high97.8Very high85 Ų8533.8 Ų33.839%0.39417%0.172SC..G310 helixtrans-100.61.4176.5-69.7175000113.3R172 L173 S237 P238R172-H240 CarbonylContact C-O 3.59Å; R172-H240 VanDerWaalsContact CA-O 3.27Å; R172-H240 WeakPolarHBondContact CA-O 3.44Å; L173-H240 PolarHBondContact N-O 2.85Å; S237-H240 WeakPolarHBondContact O-CA 3.43Å; S237-H240 PolarHBondContact O-N 3Å; P238-H240 PolarHBondContact O-N 3.3Å; P238-H240 VanDerWaalsContact O-N 3.11Å
241V98.8Very high97.8Very high0 Ų033.9 Ų33.90%017%0.173CC..EExtended strand (participates in β ladder)trans-96.1124.9175.61800000109.6L173 I175 L231 F236 S237 P238 L263 G264 A265L173-V241 HydrophobicContact CB-CG2 4.44Å; L173-V241 HydrophobicContact CD2-CG2 4.43Å; L173-V241 CarbonylContact O-C 3.54Å; L173-V241 WeakPolarHBondContact O-CA 3.48Å; I175-V241 HydrophobicContact CD1-CG1 3.63Å; I175-V241 HydrophobicContact CG1-CG1 4Å; L231-V241 HydrophobicContact CD2-CG2 3.93Å; F236-V241 HydrophobicContact CB-CG2 3.75Å; S237-V241 PolarHBondContact O-N 2.98Å; P238-V241 PolarHBondContact O-N 3.4Å; V241-L263 HydrophobicContact CB-CD2 3.83Å; V241-L263 HydrophobicContact CG1-CD2 3.89Å; V241-L263 HydrophobicContact CG2-CD2 4.49Å; V241-G264 WeakPolarHBondContact O-CA 3.27Å; V241-G264 PolarHBondContact O-N 2.86Å; V241-A265 PolarHBondContact O-N 2.92Å
242V98.8Very high97.8Very high4 Ų432.5 Ų32.52%0.02417%0.166CC..EExtended strand (participates in β ladder)trans-110.8131.4175.2-179.10000107.3L173 V174 I175 A265 V267 L465L173-V242 PolarHBondContact O-N 2.77Å; V174-V242 CarbonylContact C-O 3.59Å; V174-V242 WeakPolarHBondContact CA-O 3.46Å; V174-V242 HydrophobicContact CG2-CB 4.28Å; I175-V242 PolarHBondContact N-O 2.91Å; V242-A265 WeakPolarHBondContact CA-O 3.49Å; V242-A265 HydrophobicContact CG1-CB 4.07Å; V242-A265 HydrophobicContact CG2-CB 4.09Å; V242-V267 HydrophobicContact CG1-CG2 4.17Å; V242-L465 HydrophobicContact CB-CD2 4.44Å; V242-L465 HydrophobicContact CG1-CD2 4.03Å; V242-L465 HydrophobicContact CG2-CD2 3.7Å
243V98.9Very high97.9Very high0 Ų028.8 Ų28.80%015%0.148CC..EExtended strand (participates in β ladder)trans-101.4127.2173.9-163.80000108.6M223 A253 A256 T257 L263 A265 L266 V267M223-V243 HydrophobicContact CE-CG1 4.44Å; V243-A253 HydrophobicContact CG1-CB 3.68Å; V243-A256 HydrophobicContact CG1-CB 4.35Å; V243-A256 HydrophobicContact CG2-CB 4.33Å; V243-T257 HydrophobicContact CB-CG2 4.12Å; V243-T257 HydrophobicContact CG2-CG2 3.82Å; V243-L263 HydrophobicContact CG2-CD1 3.64Å; V243-A265 PolarHBondContact N-O 3.28Å; V243-L266 HydrophobicContact CB-CD1 4.27Å; V243-L266 WeakPolarHBondContact O-CA 3.34Å; V243-V267 PolarHBondContact O-N 2.9Å
244Y98.9Very high98Very high1 Ų121.5 Ų21.50%0.00412%0.121CC..EExtended strand (participates in β ladder)trans-119.2112.6-177.6175-139.4000110V174 I175 C177 C188 P192 V267 D269 L458 F463V174-Y244 HydrophobicContact CG1-CD1 4.46Å; V174-Y244 HydrophobicContact CG1-CG 4.43Å; I175-Y244 PolarHBondContact O-N 2.94Å; C177-Y244 PolarHBondContact N-O 2.89Å; C188-Y244 HydrophobicContact CB-CD1 4.39Å; C188-Y244 HydrophobicContact CB-CE1 3.67Å; C188-Y244 WeakPolarHBondContact O-CE1 3.41Å; P192-Y244 HydrophobicContact CG-CD1 4.26Å; Y244-V267 WeakPolarHBondContact CA-O 3.43Å; Y244-V267 HydrophobicContact CD2-CB 3.85Å; Y244-V267 HydrophobicContact CD2-CG1 3.76Å; Y244-V267 WeakPolarHBondContact CD2-O 3.5Å; Y244-V267 HydrophobicContact CE2-CG1 4Å; Y244-D269 HydrophobicContact CE2-CB 3.58Å; Y244-D269 WeakPolarHBondContact OH-CB 3.48Å; Y244-D269 PolarHBondContact OH-OD2 3.06Å; Y244-D269 VanDerWaalsContact OH-OD2 3.06Å; Y244-L458 WeakPolarHBondContact OH-CD2 3.4Å; Y244-F463 HydrophobicContact CD1-CD2 4.32Å; Y244-F463 AromaticContact CD1-CE2 3.83Å; Y244-F463 HydrophobicContact CD1-CE2 3.83Å; Y244-F463 HydrophobicContact CD2-CD2 4.46Å; Y244-F463 AromaticContact CD2-CE2 3.88Å; Y244-F463 HydrophobicContact CD2-CE2 3.88Å; Y244-F463 HydrophobicContact CE1-CD2 4.25Å; Y244-F463 HydrophobicContact CE1-CE2 4.21Å; Y244-F463 HydrophobicContact CE2-CD2 4.4Å; Y244-F463 HydrophobicContact CE2-CE2 4.27Å; Y244-F463 HydrophobicContact CG-CD2 4.43Å; Y244-F463 AromaticContact CG-CE2 3.66Å; Y244-F463 HydrophobicContact CG-CE2 3.66Å
245G98.5Very high98Very high0 Ų021.2 Ų21.20%012%0.119CC..EExtended strand (participates in β ladder)trans-110.1126.5-18000000112.5V267 L268 D269G245-V267 PolarHBondContact N-O 3.21Å; G245-L268 WeakPolarHBondContact O-CA 3.19Å; G245-D269 PolarHBondContact O-N 2.83Å
246W98.3Very high98.1Very high27 Ų2714.5 Ų14.510%0.1029%0.088CC..EExtended strand (participates in β ladder)trans-106.1128.9171.9172.759.8000110.9C177 G179 C188 V248 G249 D269 H454 F455C177-W246 PolarHBondContact O-N 2.95Å; G179-W246 WeakPolarHBondContact CA-O 3.17Å; G179-W246 VanDerWaalsContact N-CE3 3.3Å; C188-W246 HydrophobicContact CB-CB 3.74Å; C188-W246 HydrophobicContact CB-CG 4.31Å; W246-V248 PolarHBondContact O-N 2.87Å; W246-G249 WeakPolarHBondContact O-CA 3.47Å; W246-G249 PolarHBondContact O-N 2.71Å; W246-D269 WeakPolarHBondContact CA-O 3.36Å; W246-H454 AromaticContact CZ2-CD2 3.96Å; W246-H454 AromaticContact CZ2-NE2 3.98Å; W246-H454 PolarHBondContact NE1-O 3.16Å; W246-F455 HydrophobicContact CH2-CD1 4.26Å; W246-F455 HydrophobicContact CZ2-CD1 4.19Å
247S97.3Very high98.1Very high4 Ų414 Ų143%0.0289%0.086CC..THydrogen-bonded Turntrans54.2-122.1176.4-169.80000112.1G249 G250 D269 A270 T271 H454S247-G249 PolarHBondContact O-N 3.16Å; S247-G250 PolarHBondContact O-N 3.33Å; S247-D269 PolarHBondContact N-O 3.14Å; S247-A270 WeakPolarHBondContact CA-O 3.3Å; S247-T271 WeakPolarHBondContact O-CB 3.49Å; S247-T271 PolarHBondContact O-OG1 3.35Å; S247-H454 WeakPolarHBondContact CB-NE2 3.34Å; S247-H454 PolarHBondContact OG-CE1 2.82Å; S247-H454 VanDerWaalsContact OG-CE1 3.25Å; S247-H454 PolarHBondContact OG-NE2 2.85Å
248V97.3Very high98.1Very high6 Ų612.5 Ų12.54%0.0367%0.072CC..THydrogen-bonded Turntrans-58-29.2174.8168.20000113.2Y112 N180 W246 G250 F251 F272 L301Y112-V248 HydrophobicContact CD1-CG1 4.48Å; Y112-V248 HydrophobicContact CE1-CG1 3.73Å; N180-V248 HydrophobicContact CB-CB 4.11Å; N180-V248 HydrophobicContact CB-CG1 4.5Å; N180-V248 HydrophobicContact CB-CG2 3.84Å; W246-V248 PolarHBondContact O-N 2.87Å; V248-G250 PolarHBondContact O-N 3.38Å; V248-G250 VanDerWaalsContact O-N 3.07Å; V248-F251 WeakPolarHBondContact O-CB 3.46Å; V248-F251 PolarHBondContact O-N 2.94Å; V248-F272 HydrophobicContact CG2-CE1 3.99Å; V248-F272 HydrophobicContact CG2-CZ 4.13Å; V248-L301 HydrophobicContact CG1-CD1 4.12Å; V248-L301 HydrophobicContact CG2-CD1 4.46Å
249G98.1Very high98.1Very high0 Ų010.8 Ų10.80%06%0.061CC..Hα-helixtrans-62.2-12.8172.600000113.9C177 E178 W246 S247 F251 T252 A253C177-G249 WeakPolarHBondContact CB-O 3.36Å; E178-G249 WeakPolarHBondContact O-CA 3.37Å; E178-G249 PolarHBondContact O-N 3Å; W246-G249 WeakPolarHBondContact O-CA 3.47Å; W246-G249 PolarHBondContact O-N 2.71Å; S247-G249 PolarHBondContact O-N 3.16Å; G249-F251 PolarHBondContact O-N 3.25Å; G249-T252 PolarHBondContact O-N 3.48Å; G249-T252 PolarHBondContact O-OG1 2.85Å; G249-A253 WeakPolarHBondContact O-CB 3.45Å; G249-A253 PolarHBondContact O-N 2.77Å
250G98.4Very high98.1Very high0 Ų09 Ų90%04%0.041CC..Hα-helixtrans-57.2-36.3167.600000112.7S247 V248 A253 T254S247-G250 PolarHBondContact O-N 3.33Å; V248-G250 PolarHBondContact O-N 3.38Å; V248-G250 VanDerWaalsContact O-N 3.07Å; G250-A253 PolarHBondContact O-N 3Å; G250-T254 WeakPolarHBondContact O-CG2 3.24Å; G250-T254 PolarHBondContact O-N 2.84Å; G250-T254 PolarHBondContact O-OG1 2.85Å
251F98.6Very high98Very high1 Ų17.8 Ų7.80%0.0044%0.041CC..Hα-helixtrans-62.7-49.1176.7170.4-96000112.3P216 D219 V248 G249 A253 T254 W255 L301 V303 Q306P216-F251 HydrophobicContact CB-CE1 3.87Å; P216-F251 HydrophobicContact CB-CE2 4.36Å; P216-F251 HydrophobicContact CB-CZ 3.6Å; P216-F251 WeakPolarHBondContact O-CE1 3.43Å; D219-F251 HydrophobicContact CB-CE1 4.44Å; V248-F251 WeakPolarHBondContact O-CB 3.46Å; V248-F251 PolarHBondContact O-N 2.94Å; G249-F251 PolarHBondContact O-N 3.25Å; F251-A253 VanDerWaalsContact C-N 3.31Å; F251-A253 PolarHBondContact O-N 2.75Å; F251-T254 PolarHBondContact O-N 2.81Å; F251-T254 PolarHBondContact O-OG1 2.7Å; F251-W255 VanDerWaalsContact O-CB 3.23Å; F251-W255 WeakPolarHBondContact O-CB 3.48Å; F251-W255 PolarHBondContact O-N 2.94Å; F251-L301 HydrophobicContact CB-CB 4.38Å; F251-L301 HydrophobicContact CB-CD2 4.16Å; F251-L301 HydrophobicContact CD1-CD2 3.99Å; F251-L301 HydrophobicContact CD2-CB 4.06Å; F251-L301 HydrophobicContact CD2-CD2 3.79Å; F251-L301 HydrophobicContact CE1-CD2 4.37Å; F251-L301 HydrophobicContact CE2-CD2 4.12Å; F251-L301 HydrophobicContact CG-CB 4.4Å; F251-L301 HydrophobicContact CG-CD2 3.7Å; F251-L301 HydrophobicContact CZ-CD2 4.43Å; F251-V303 HydrophobicContact CB-CG2 4.18Å; F251-Q306 PolarHBondContact O-OE1 3.02Å
252T98.3Very high97.8Very high0 Ų08.5 Ų8.50%05%0.048CC..Hα-helixtrans-68.2-35.3179.146.60000111.4C177 W202 D219 G249 W255 A256C177-T252 VanDerWaalsContact CB-OG1 3.29Å; C177-T252 WeakPolarHBondContact CB-OG1 3.46Å; C177-T252 PolarHBondContact SG-OG1 3.49Å; W202-T252 HydrophobicContact CH2-CG2 3.89Å; W202-T252 HydrophobicContact CZ2-CG2 4.02Å; D219-T252 HydrophobicContact CB-CG2 3.63Å; G249-T252 PolarHBondContact O-N 3.48Å; G249-T252 PolarHBondContact O-OG1 2.85Å; T252-W255 PolarHBondContact O-N 2.78Å; T252-A256 WeakPolarHBondContact O-CB 3.43Å; T252-A256 PolarHBondContact O-N 3.48Å
253A98.8Very high97.7Very high0 Ų08.3 Ų8.30%05%0.047CC..Hα-helixtrans-65.4-45.2176.400000113C177 V243 G249 G250 F251 A256 T257 L266 L268C177-A253 HydrophobicContact CB-CB 4.46Å; V243-A253 HydrophobicContact CG1-CB 3.68Å; G249-A253 WeakPolarHBondContact O-CB 3.45Å; G249-A253 PolarHBondContact O-N 2.77Å; G250-A253 PolarHBondContact O-N 3Å; F251-A253 VanDerWaalsContact C-N 3.31Å; F251-A253 PolarHBondContact O-N 2.75Å; A253-A256 PolarHBondContact O-N 3.11Å; A253-T257 PolarHBondContact O-N 3.32Å; A253-T257 VanDerWaalsContact O-N 3.17Å; A253-T257 PolarHBondContact O-OG1 3Å; A253-L266 HydrophobicContact CB-CD1 3.77Å; A253-L268 HydrophobicContact CB-CD2 3.98Å
254T98.8Very high97.6Very high0 Ų09 Ų90%06%0.055CC..Hα-helixtrans-69.4-36.2175510000112G250 F251 A256 T257 M258 L266 L268 V303 Q306 L307G250-T254 WeakPolarHBondContact O-CG2 3.24Å; G250-T254 PolarHBondContact O-N 2.84Å; G250-T254 PolarHBondContact O-OG1 2.85Å; F251-T254 PolarHBondContact O-N 2.81Å; F251-T254 PolarHBondContact O-OG1 2.7Å; T254-A256 PolarHBondContact O-N 3.1Å; T254-T257 WeakPolarHBondContact CA-OG1 3.42Å; T254-T257 PolarHBondContact O-N 2.87Å; T254-T257 PolarHBondContact O-OG1 3.41Å; T254-M258 VanDerWaalsContact O-CB 3.23Å; T254-M258 WeakPolarHBondContact O-CB 3.4Å; T254-M258 PolarHBondContact O-N 3Å; T254-L266 HydrophobicContact CG2-CD2 4.02Å; T254-L268 HydrophobicContact CG2-CD1 3.9Å; T254-L268 HydrophobicContact CG2-CD2 4.3Å; T254-V303 HydrophobicContact CG2-CG1 3.69Å; T254-Q306 PolarHBondContact OG1-OE1 2.98Å; T254-L307 HydrophobicContact CG2-CB 3.9Å; T254-L307 HydrophobicContact CG2-CD1 4.44Å
255W98.6Very high97.6Very high4 Ų49.3 Ų9.32%0.0156%0.057CC..Hα-helixtrans-62.6-43.6175-176.394.7000111.6A55 A220 M223 D224 F251 T252 T259A55-W255 HydrophobicContact CB-CZ2 3.75Å; A220-W255 HydrophobicContact CB-CD2 3.86Å; A220-W255 VanDerWaalsContact CB-CE2 3.48Å; A220-W255 HydrophobicContact CB-CE3 4.46Å; A220-W255 HydrophobicContact CB-CG 4.22Å; A220-W255 HydrophobicContact CB-CH2 4.44Å; A220-W255 HydrophobicContact CB-CZ2 3.78Å; A220-W255 WeakPolarHBondContact O-CH2 3.43Å; A220-W255 WeakPolarHBondContact O-CZ3 3.46Å; M223-W255 HydrophobicContact CB-CE3 4.1Å; M223-W255 HydrophobicContact CB-CZ3 4.24Å; M223-W255 HydrophobicContact CG-CE3 4.05Å; M223-W255 HydrophobicContact CG-CZ3 4.36Å; D224-W255 HydrophobicContact CB-CH2 3.82Å; D224-W255 HydrophobicContact CB-CZ3 4.1Å; F251-W255 VanDerWaalsContact O-CB 3.23Å; F251-W255 WeakPolarHBondContact O-CB 3.48Å; F251-W255 PolarHBondContact O-N 2.94Å; T252-W255 PolarHBondContact O-N 2.78Å; W255-T259 HydrophobicContact CH2-CG2 4.05Å; W255-T259 HydrophobicContact CZ2-CG2 4.4Å; W255-T259 HydrophobicContact CZ3-CG2 4.41Å; W255-T259 VanDerWaalsContact O-CB 3.3Å; W255-T259 WeakPolarHBondContact O-CB 3.34Å; W255-T259 PolarHBondContact O-N 3.47Å; W255-T259 PolarHBondContact O-OG1 3.37Å
256A98.6Very high97.6Very high0 Ų09.3 Ų9.30%06%0.057CC..Hα-helixtrans-60.6-47.8177.800000111.3M223 V227 V243 T252 A253 T254 T259 Y260M223-A256 HydrophobicContact CE-CB 3.83Å; M223-A256 HydrophobicContact CG-CB 3.73Å; M223-A256 HydrophobicContact SD-CB 4.23Å; V227-A256 HydrophobicContact CG2-CB 4.18Å; V243-A256 HydrophobicContact CG1-CB 4.35Å; V243-A256 HydrophobicContact CG2-CB 4.33Å; T252-A256 WeakPolarHBondContact O-CB 3.43Å; T252-A256 PolarHBondContact O-N 3.48Å; A253-A256 PolarHBondContact O-N 3.11Å; T254-A256 PolarHBondContact O-N 3.1Å; A256-T259 PolarHBondContact O-N 2.91Å; A256-Y260 WeakPolarHBondContact O-CA 3.4Å; A256-Y260 WeakPolarHBondContact O-CB 3.3Å; A256-Y260 WeakPolarHBondContact O-CD2 3.21Å; A256-Y260 PolarHBondContact O-N 3Å
257T97.9Very high97.6Very high0 Ų08 Ų80%05%0.052CC..Hα-helixtrans-75.7-28.8-176.349.70000113.4V243 A253 T254 Y260 P261 L263 L266 Y310V243-T257 HydrophobicContact CB-CG2 4.12Å; V243-T257 HydrophobicContact CG2-CG2 3.82Å; A253-T257 PolarHBondContact O-N 3.32Å; A253-T257 VanDerWaalsContact O-N 3.17Å; A253-T257 PolarHBondContact O-OG1 3Å; T254-T257 WeakPolarHBondContact CA-OG1 3.42Å; T254-T257 PolarHBondContact O-N 2.87Å; T254-T257 PolarHBondContact O-OG1 3.41Å; T257-Y260 CarbonylContact O-C 3.59Å; T257-P261 WeakPolarHBondContact O-CA 3.2Å; T257-L263 HydrophobicContact CG2-CD1 4.28Å; T257-L266 HydrophobicContact CG2-CB 4.19Å; T257-L266 HydrophobicContact CG2-CD1 4.04Å; T257-Y310 HydrophobicContact CG2-CD2 4.35Å; T257-Y310 HydrophobicContact CG2-CE1 4.47Å; T257-Y310 HydrophobicContact CG2-CE2 4.27Å; T257-Y310 HydrophobicContact CG2-CG 4.5Å; T257-Y310 WeakPolarHBondContact O-CD2 3.41Å
258M96.9Very high97.7Very high30 Ų307.9 Ų7.915%0.1485%0.051CC..Hα-helixtrans-64.7-43.1166.5174.1-179.176.200111.8L62 T254 Q306 C309L62-M258 HydrophobicContact CD1-SD 4.39Å; T254-M258 VanDerWaalsContact O-CB 3.23Å; T254-M258 WeakPolarHBondContact O-CB 3.4Å; T254-M258 PolarHBondContact O-N 3Å; M258-Q306 HydrophobicContact CE-CG 4.13Å; M258-Q306 HydrophobicContact SD-CB 4.14Å; M258-Q306 HydrophobicContact SD-CG 3.99Å; M258-C309 HydrophobicContact CB-CB 4.08Å; M258-C309 HydrophobicContact CG-CB 3.55Å; M258-C309 HydrophobicContact SD-CB 4.1Å
259T97Very high97.8Very high4 Ų47.6 Ų7.63%0.0255%0.05CC..Hα-helixtrans-78.6-32.8-176-56.10000112.5L50 W255 A256 P261L50-T259 HydrophobicContact CB-CG2 4.44Å; W255-T259 HydrophobicContact CH2-CG2 4.05Å; W255-T259 HydrophobicContact CZ2-CG2 4.4Å; W255-T259 HydrophobicContact CZ3-CG2 4.41Å; W255-T259 VanDerWaalsContact O-CB 3.3Å; W255-T259 WeakPolarHBondContact O-CB 3.34Å; W255-T259 PolarHBondContact O-N 3.47Å; W255-T259 PolarHBondContact O-OG1 3.37Å; A256-T259 PolarHBondContact O-N 2.91Å; T259-P261 VanDerWaalsContact C-CD 3.47Å; T259-P261 VanDerWaalsContact O-CD 3.32Å; T259-P261 WeakPolarHBondContact O-CD 3.42Å
260Y96.7Very high97.7Very high23 Ų237.7 Ų7.79%0.095%0.05CC..SBendtrans-119.174.8178.8-62.2-90.7000109.4A49 D224 V227 Q228 L231 A256 T257 G262 L263A49-Y260 HydrophobicContact CB-CE1 3.82Å; D224-Y260 PolarHBondContact OD1-OH 3.37Å; V227-Y260 HydrophobicContact CB-CD2 4.23Å; V227-Y260 HydrophobicContact CB-CE2 3.98Å; V227-Y260 HydrophobicContact CG1-CD1 3.88Å; V227-Y260 HydrophobicContact CG1-CD2 3.81Å; V227-Y260 HydrophobicContact CG1-CE1 3.92Å; V227-Y260 HydrophobicContact CG1-CE2 3.89Å; V227-Y260 HydrophobicContact CG1-CG 3.82Å; V227-Y260 HydrophobicContact CG2-CD2 4.25Å; V227-Y260 HydrophobicContact CG2-CE2 4.3Å; Q228-Y260 WeakPolarHBondContact CG-OH 3.35Å; L231-Y260 HydrophobicContact CD1-CD1 4.39Å; A256-Y260 WeakPolarHBondContact O-CA 3.4Å; A256-Y260 WeakPolarHBondContact O-CB 3.3Å; A256-Y260 WeakPolarHBondContact O-CD2 3.21Å; A256-Y260 PolarHBondContact O-N 3Å; T257-Y260 CarbonylContact O-C 3.59Å; Y260-G262 PolarHBondContact O-N 3.01Å; Y260-L263 VanDerWaalsContact O-CG 3.31Å; Y260-L263 WeakPolarHBondContact O-CG 3.33Å; Y260-L263 PolarHBondContact O-N 2.92Å; Y260-L263 VanDerWaalsContact O-N 3.1Å
261P94Very high97.7Very high59 Ų598 Ų838%0.3835%0.052SC..THydrogen-bonded Turntrans-68.2-5.6-172.227.7-36.7000114.6T257 T259 P311 H418T257-P261 WeakPolarHBondContact O-CA 3.2Å; T259-P261 VanDerWaalsContact C-CD 3.47Å; T259-P261 VanDerWaalsContact O-CD 3.32Å; T259-P261 WeakPolarHBondContact O-CD 3.42Å; P261-P311 HydrophobicContact CB-CG 4.05Å; P261-H418 PolarHBondContact O-CD2 2.92Å; P261-H418 PolarHBondContact O-NE2 2.89Å; P261-H418 VanDerWaalsContact O-NE2 3.12Å
262G94.8Very high97.6Very high15 Ų158.1 Ų8.116%0.1555%0.053CC..THydrogen-bonded Turntrans-95.54.9173.900000115.3P238 Y260 P417P238-G262 CarbonylContact C-O 3.57Å; P238-G262 VanDerWaalsContact CB-O 3.26Å; P238-G262 WeakPolarHBondContact CB-O 3.49Å; Y260-G262 PolarHBondContact O-N 3.01Å; G262-P417 VanDerWaalsContact CA-CG 3.48Å
263L97.8Very high97.6Very high1 Ų18.8 Ų8.81%0.0056%0.056CC..SBendtrans-64.1143.8170.6-63.3178.4000110.1V227 L231 P238 V241 V243 T257 Y260 A265 Y310 H418V227-L263 HydrophobicContact CG1-CD1 4.5Å; V227-L263 HydrophobicContact CG1-CD2 4.32Å; L231-L263 HydrophobicContact CD2-CD2 4.45Å; P238-L263 HydrophobicContact CB-CD2 4.48Å; P238-L263 CarbonylContact O-C 3.54Å; P238-L263 WeakPolarHBondContact O-CA 3.32Å; V241-L263 HydrophobicContact CB-CD2 3.83Å; V241-L263 HydrophobicContact CG1-CD2 3.89Å; V241-L263 HydrophobicContact CG2-CD2 4.49Å; V243-L263 HydrophobicContact CG2-CD1 3.64Å; T257-L263 HydrophobicContact CG2-CD1 4.28Å; Y260-L263 VanDerWaalsContact O-CG 3.31Å; Y260-L263 WeakPolarHBondContact O-CG 3.33Å; Y260-L263 PolarHBondContact O-N 2.92Å; Y260-L263 VanDerWaalsContact O-N 3.1Å; L263-A265 PolarHBondContact O-N 3.07Å; L263-Y310 PolarHBondContact O-OH 2.97Å; L263-H418 PolarHBondContact O-CE1 3.16Å; L263-H418 PolarHBondContact O-NE2 3.35Å
264G97.1Very high97.4Very high15 Ų159.7 Ų9.716%0.1556%0.061CC..SBendtrans-67.9-35.7-16600000116.1P238 A239 V241 P313P238-G264 PolarHBondContact O-N 2.72Å; A239-G264 WeakPolarHBondContact O-CA 3.19Å; V241-G264 WeakPolarHBondContact O-CA 3.27Å; V241-G264 PolarHBondContact O-N 2.86Å; G264-P313 WeakPolarHBondContact O-CD 3.48Å
265A98Very high97.3Very high7 Ų710.5 Ų10.56%0.0587%0.066CC..EExtended strand (participates in β ladder)trans-162.2158.1-178.300000113.2V241 V242 V243 L263 Y310 P466V241-A265 PolarHBondContact O-N 2.92Å; V242-A265 WeakPolarHBondContact CA-O 3.49Å; V242-A265 HydrophobicContact CG1-CB 4.07Å; V242-A265 HydrophobicContact CG2-CB 4.09Å; V243-A265 PolarHBondContact N-O 3.28Å; L263-A265 PolarHBondContact O-N 3.07Å; A265-Y310 VanDerWaalsContact CA-OH 3.26Å; A265-Y310 WeakPolarHBondContact CA-OH 3.41Å; A265-Y310 PolarHBondContact N-OH 3.16Å; A265-P466 HydrophobicContact CB-CG 3.85Å
266L98.8Very high97.1Very high0 Ų011 Ų110%07%0.069CC..EExtended strand (participates in β ladder)trans-122.9126.1172.8-179.162.1000110.4V243 A253 T254 T257 L268 L307 Y310 P313 V314 L315 P466V243-L266 HydrophobicContact CB-CD1 4.27Å; V243-L266 WeakPolarHBondContact O-CA 3.34Å; A253-L266 HydrophobicContact CB-CD1 3.77Å; T254-L266 HydrophobicContact CG2-CD2 4.02Å; T257-L266 HydrophobicContact CG2-CB 4.19Å; T257-L266 HydrophobicContact CG2-CD1 4.04Å; L266-L268 HydrophobicContact CD1-CD2 3.9Å; L266-L268 HydrophobicContact CD1-CG 4.19Å; L266-L268 HydrophobicContact CD2-CD1 4.06Å; L266-L268 HydrophobicContact CD2-CD2 4.48Å; L266-L268 HydrophobicContact CD2-CG 4.17Å; L266-L268 HydrophobicContact CG-CD1 4.42Å; L266-L268 HydrophobicContact CG-CD2 4.25Å; L266-L268 HydrophobicContact CG-CG 3.98Å; L266-L307 HydrophobicContact CD2-CD1 3.57Å; L266-Y310 HydrophobicContact CB-CD1 3.96Å; L266-Y310 HydrophobicContact CB-CE1 3.61Å; L266-Y310 HydrophobicContact CD2-CD1 4.15Å; L266-P313 PolarHBondContact N-O 3.05Å; L266-V314 HydrophobicContact CB-CG2 4.27Å; L266-V314 HydrophobicContact CD2-CG2 4.3Å; L266-V314 WeakPolarHBondContact O-CA 3.4Å; L266-L315 PolarHBondContact O-N 3.43Å; L266-P466 WeakPolarHBondContact O-CG 3.38Å
267V98.9Very high96.8Very high0 Ų012.5 Ų12.50%08%0.079CC..EExtended strand (participates in β ladder)trans-117.6126.9170.9-176.50000108.2V242 V243 Y244 G245 L315 L317 F463 P466V242-V267 HydrophobicContact CG1-CG2 4.17Å; V243-V267 PolarHBondContact O-N 2.9Å; Y244-V267 WeakPolarHBondContact CA-O 3.43Å; Y244-V267 HydrophobicContact CD2-CB 3.85Å; Y244-V267 HydrophobicContact CD2-CG1 3.76Å; Y244-V267 WeakPolarHBondContact CD2-O 3.5Å; Y244-V267 HydrophobicContact CE2-CG1 4Å; G245-V267 PolarHBondContact N-O 3.21Å; V267-L315 WeakPolarHBondContact CA-O 3.22Å; V267-L317 HydrophobicContact CG1-CD1 4.07Å; V267-L317 HydrophobicContact CG1-CG 4.22Å; V267-F463 HydrophobicContact CB-CE2 4.38Å; V267-F463 HydrophobicContact CG1-CE2 4.27Å; V267-F463 HydrophobicContact CG2-CE2 4.44Å; V267-F463 HydrophobicContact CG2-CZ 4.5Å; V267-P466 HydrophobicContact CG2-CG 4.18Å
268L98.8Very high96.6Very high1 Ų113.4 Ų13.41%0.0058%0.083CC..EExtended strand (participates in β ladder)trans-121.6114.6-179.8-67.1178.9000109.8G245 A253 T254 L266 T271 L307 L315 L316 L317 L347G245-L268 WeakPolarHBondContact O-CA 3.19Å; A253-L268 HydrophobicContact CB-CD2 3.98Å; T254-L268 HydrophobicContact CG2-CD1 3.9Å; T254-L268 HydrophobicContact CG2-CD2 4.3Å; L266-L268 HydrophobicContact CD1-CD2 3.9Å; L266-L268 HydrophobicContact CD1-CG 4.19Å; L266-L268 HydrophobicContact CD2-CD1 4.06Å; L266-L268 HydrophobicContact CD2-CD2 4.48Å; L266-L268 HydrophobicContact CD2-CG 4.17Å; L266-L268 HydrophobicContact CG-CD1 4.42Å; L266-L268 HydrophobicContact CG-CD2 4.25Å; L266-L268 HydrophobicContact CG-CG 3.98Å; L268-T271 HydrophobicContact CB-CG2 3.71Å; L268-T271 HydrophobicContact CD1-CG2 4.19Å; L268-T271 HydrophobicContact CD2-CG2 4.43Å; L268-T271 HydrophobicContact CG-CG2 4.33Å; L268-L307 HydrophobicContact CD1-CD1 4.27Å; L268-L307 HydrophobicContact CD1-CD2 4.4Å; L268-L315 PolarHBondContact N-O 2.77Å; L268-L316 HydrophobicContact CB-CD2 3.8Å; L268-L316 HydrophobicContact CD1-CD2 3.76Å; L268-L316 HydrophobicContact CG-CD2 4.23Å; L268-L316 CarbonylContact O-C 3.59Å; L268-L316 WeakPolarHBondContact O-CA 3.38Å; L268-L317 PolarHBondContact O-N 3.37Å; L268-L347 HydrophobicContact CD1-CD2 4.03Å
269D98.5Very high96.3Very high0 Ų012.8 Ų12.80%08%0.083CC..EExtended strand (participates in β ladder)trans-109.5130.1-179.6177.422.2000111.6Y244 G245 W246 S247 T271 L317 R319Y244-D269 HydrophobicContact CE2-CB 3.58Å; Y244-D269 WeakPolarHBondContact OH-CB 3.48Å; Y244-D269 PolarHBondContact OH-OD2 3.06Å; Y244-D269 VanDerWaalsContact OH-OD2 3.06Å; G245-D269 PolarHBondContact O-N 2.83Å; W246-D269 WeakPolarHBondContact CA-O 3.36Å; S247-D269 PolarHBondContact N-O 3.14Å; D269-T271 PolarHBondContact O-N 3.31Å; D269-L317 HydrophobicContact CB-CB 4.03Å; D269-L317 HydrophobicContact CB-CD1 4.18Å; D269-R319 IonicContact OD1-CZ 2.63Å; D269-R319 IonicContact OD1-NE 3.98Å; D269-R319 PolarHBondContact OD1-NE 3.27Å; D269-R319 IonicContact OD1-NH2 3.75Å; D269-R319 IonicContact OD2-CZ 2.92Å; D269-R319 IonicContact OD2-NE 2.76Å; D269-R319 PolarHBondContact OD2-NE 3.46Å; D269-R319 IonicContact OD2-NH2 3.99Å; D269-R319 PolarHBondContact OD2-NH2 3.08Å
270A97.1Very high96.1Very high2 Ų214.5 Ų14.52%0.0179%0.092CC..SBendtrans50.834.5173.700000113.4S247 L317 R319 D322 V325 H454S247-A270 WeakPolarHBondContact CA-O 3.3Å; A270-L317 PolarHBondContact N-O 2.78Å; A270-R319 HydrophobicContact CB-CG 4.02Å; A270-D322 WeakPolarHBondContact CB-OD2 3.08Å; A270-V325 WeakPolarHBondContact O-CG1 3.36Å; A270-H454 PolarHBondContact O-CE1 3.31Å
271T97.6Very high95.7Very high7 Ų715.6 Ų15.64%0.04310%0.097CC..  trans-99.3-175.8-179.2-162.10000111.7S247 L268 D269 L347S247-T271 WeakPolarHBondContact O-CB 3.49Å; S247-T271 PolarHBondContact O-OG1 3.35Å; L268-T271 HydrophobicContact CB-CG2 3.71Å; L268-T271 HydrophobicContact CD1-CG2 4.19Å; L268-T271 HydrophobicContact CD2-CG2 4.43Å; L268-T271 HydrophobicContact CG-CG2 4.33Å; D269-T271 PolarHBondContact O-N 3.31Å; T271-L347 HydrophobicContact CG2-CD2 3.5Å; T271-L347 VanDerWaalsContact CG2-CD2 3.5Å
272F97.6Very high95.4Very high3 Ų317.9 Ų17.91%0.01311%0.11CC..  trans-136.5167.3-174.252.6-91.3000110.7V248 D274 L275 L278 L301 V303 V325 R343V248-F272 HydrophobicContact CG2-CE1 3.99Å; V248-F272 HydrophobicContact CG2-CZ 4.13Å; F272-D274 WeakPolarHBondContact CD2-O 3.43Å; F272-L275 HydrophobicContact CE2-CB 4.08Å; F272-L275 HydrophobicContact CE2-CD1 4.43Å; F272-L275 HydrophobicContact CZ-CD1 4.3Å; F272-L278 HydrophobicContact CB-CD1 3.74Å; F272-L278 HydrophobicContact CD1-CD1 3.57Å; F272-L278 HydrophobicContact CD2-CD1 4.05Å; F272-L278 HydrophobicContact CE1-CD1 4.17Å; F272-L278 HydrophobicContact CG-CD1 3.5Å; F272-L301 HydrophobicContact CE2-CB 4.1Å; F272-L301 HydrophobicContact CE2-CD1 4.4Å; F272-L301 HydrophobicContact CZ-CB 4.43Å; F272-L301 HydrophobicContact CZ-CD1 3.96Å; F272-V303 HydrophobicContact CD2-CG2 4.38Å; F272-V303 HydrophobicContact CE2-CG2 4.16Å; F272-V303 WeakPolarHBondContact O-CB 3.47Å; F272-V303 WeakPolarHBondContact O-CG1 3.35Å; F272-V325 HydrophobicContact CB-CB 4.43Å; F272-V325 HydrophobicContact CD1-CG1 3.82Å; F272-R343 HydrophobicContact CB-CB 3.5Å; F272-R343 HydrophobicContact CB-CG 4.16Å
273D97.1Very high95.1Very high13 Ų1318.3 Ų18.37%0.0711%0.108CC..SBendtrans-84-38.9177.864.5-48.1000113.4V303 A304 R343 E346 L347D273-V303 PolarHBondContact O-N 3.02Å; D273-A304 HydrophobicContact CB-CB 3.79Å; D273-A304 PolarHBondContact O-N 2.91Å; D273-A304 VanDerWaalsContact O-N 3.1Å; D273-R343 IonicContact OD1-CZ 3.84Å; D273-R343 IonicContact OD1-NE 3.96Å; D273-R343 PolarHBondContact OD1-NE 2.94Å; D273-R343 IonicContact OD1-NH2 3.47Å; D273-R343 PolarHBondContact OD1-NH2 3.28Å; D273-R343 IonicContact OD2-CZ 3.75Å; D273-R343 IonicContact OD2-NE 3.21Å; D273-R343 IonicContact OD2-NH2 3.96Å; D273-R343 PolarHBondContact OD2-NH2 3.45Å; D273-E346 HydrophobicContact CB-CB 4.2Å; D273-L347 HydrophobicContact CB-CB 4.18Å; D273-L347 HydrophobicContact CB-CD1 4.3Å
274D95.2Very high94.6Very high19 Ų1921.3 Ų21.310%0.10213%0.127CC..  trans-150.9142.7-175.7-168.3-85.9000111.1F272 V276 P277 R296F272-D274 WeakPolarHBondContact CD2-O 3.43Å; D274-V276 WeakPolarHBondContact OD1-CB 3.33Å; D274-V276 WeakPolarHBondContact OD1-CG2 3.49Å; D274-V276 PolarHBondContact OD1-N 2.96Å; D274-P277 WeakPolarHBondContact O-CD 3.32Å; D274-P277 WeakPolarHBondContact OD1-CD 3.18Å; D274-R296 IonicContact OD1-CZ 3.54Å; D274-R296 IonicContact OD1-NH1 3.67Å; D274-R296 IonicContact OD1-NH2 2.7Å; D274-R296 PolarHBondContact OD1-NH2 3.41Å; D274-R296 IonicContact OD2-CZ 2.77Å; D274-R296 IonicContact OD2-NH1 3.62Å; D274-R296 PolarHBondContact OD2-NH1 2.88Å; D274-R296 IonicContact OD2-NH2 3.24Å; D274-R296 PolarHBondContact OD2-NH2 3.33Å
275L95.4Very high94.2Very high18 Ų1827 Ų279%0.09415%0.15CC..Hα-helixtrans-74.4-28.5-179.4-177.762.1000113.5V111 F272 L278 A279 V295 F299 L301V111-L275 HydrophobicContact CG1-CD2 4.17Å; V111-L275 HydrophobicContact CG2-CD2 4.13Å; F272-L275 HydrophobicContact CE2-CB 4.08Å; F272-L275 HydrophobicContact CE2-CD1 4.43Å; F272-L275 HydrophobicContact CZ-CD1 4.3Å; L275-L278 HydrophobicContact CD1-CB 4.47Å; L275-L278 PolarHBondContact O-N 2.96Å; L275-L278 VanDerWaalsContact O-N 3.1Å; L275-A279 PolarHBondContact O-N 3.4Å; L275-V295 HydrophobicContact CB-CG1 4Å; L275-V295 HydrophobicContact CD2-CG1 4.01Å; L275-V295 HydrophobicContact CD2-CG2 4.48Å; L275-V295 HydrophobicContact CG-CG1 4.07Å; L275-F299 HydrophobicContact CD2-CB 3.97Å; L275-L301 HydrophobicContact CB-CB 4.07Å; L275-L301 HydrophobicContact CB-CD1 4.38Å; L275-L301 HydrophobicContact CB-CG 4.34Å; L275-L301 HydrophobicContact CD1-CD1 4.45Å; L275-L301 HydrophobicContact CD2-CD1 3.83Å; L275-L301 HydrophobicContact CD2-CG 4.01Å; L275-L301 HydrophobicContact CG-CD1 4.44Å
276V95.1Very high93.9Very high13 Ų1331.6 Ų31.68%0.07918%0.182CC..Hα-helixtrans-57.4-48.2-172.1172.90000112.7D274 L278 A279 L280 V292 V295 R296D274-V276 WeakPolarHBondContact OD1-CB 3.33Å; D274-V276 WeakPolarHBondContact OD1-CG2 3.49Å; D274-V276 PolarHBondContact OD1-N 2.96Å; V276-L278 VanDerWaalsContact C-N 3.25Å; V276-L278 PolarHBondContact O-N 3.26Å; V276-A279 PolarHBondContact O-N 3.22Å; V276-L280 HydrophobicContact CG1-CD1 3.79Å; V276-L280 HydrophobicContact CG1-CG 4.11Å; V276-L280 WeakPolarHBondContact O-CB 3.31Å; V276-L280 VanDerWaalsContact O-CG 3.3Å; V276-L280 WeakPolarHBondContact O-CG 3.29Å; V276-L280 PolarHBondContact O-N 2.7Å; V276-V292 HydrophobicContact CG1-CG2 3.89Å; V276-V295 HydrophobicContact CG2-CB 4.02Å; V276-V295 HydrophobicContact CG2-CG1 3.49Å; V276-V295 VanDerWaalsContact CG2-CG1 3.49Å; V276-R296 HydrophobicContact CG2-CG 4.23Å
277P93.1Very high93.5Very high33 Ų3337.3 Ų37.321%0.21420%0.203CC..Hα-helixtrans-58.6-36.5178-24.635.2000113.2D274 K281 T327D274-P277 WeakPolarHBondContact O-CD 3.32Å; D274-P277 WeakPolarHBondContact OD1-CD 3.18Å; P277-K281 PolarHBondContact O-N 3.26Å; P277-T327 HydrophobicContact CB-CG2 3.63Å
278L92.7Very high93.2Very high18 Ų1843.4 Ų43.49%0.09423%0.23CC..Hα-helixtrans-73.8-43.8178.9-60.4-179.5000111.6F272 L275 V276 L280 K281 V282 V325 T327 R343F272-L278 HydrophobicContact CB-CD1 3.74Å; F272-L278 HydrophobicContact CD1-CD1 3.57Å; F272-L278 HydrophobicContact CD2-CD1 4.05Å; F272-L278 HydrophobicContact CE1-CD1 4.17Å; F272-L278 HydrophobicContact CG-CD1 3.5Å; L275-L278 HydrophobicContact CD1-CB 4.47Å; L275-L278 PolarHBondContact O-N 2.96Å; L275-L278 VanDerWaalsContact O-N 3.1Å; V276-L278 VanDerWaalsContact C-N 3.25Å; V276-L278 PolarHBondContact O-N 3.26Å; L278-L280 VanDerWaalsContact C-N 3.29Å; L278-L280 PolarHBondContact O-N 2.9Å; L278-K281 WeakPolarHBondContact O-CA 3.26Å; L278-K281 VanDerWaalsContact O-CB 3.31Å; L278-K281 WeakPolarHBondContact O-CB 3.43Å; L278-K281 PolarHBondContact O-N 3.14Å; L278-V282 PolarHBondContact O-N 3.49Å; L278-V325 HydrophobicContact CD1-CB 4.38Å; L278-V325 HydrophobicContact CD1-CG1 4.21Å; L278-T327 HydrophobicContact CD2-CG2 4.3Å; L278-R343 HydrophobicContact CD2-CG 3.74Å; L278-R343 HydrophobicContact CG-CG 4.21Å
279A92.1Very high92.9Very high17 Ų1746.1 Ų46.114%0.1426%0.258CS..Hα-helixtrans-60.5-41.817400000111.4L275 V276 K281 V282 M283 V291 V295L275-A279 PolarHBondContact O-N 3.4Å; V276-A279 PolarHBondContact O-N 3.22Å; A279-K281 PolarHBondContact O-N 2.8Å; A279-V282 PolarHBondContact O-N 3.28Å; A279-V282 VanDerWaalsContact O-N 3.16Å; A279-M283 WeakPolarHBondContact O-CB 3.04Å; A279-M283 WeakPolarHBondContact O-CG 3.37Å; A279-M283 PolarHBondContact O-N 3.38Å; A279-V291 HydrophobicContact CB-CG1 3.87Å; A279-V295 HydrophobicContact CB-CG2 3.78Å
280L91.8Very high92.6Very high41 Ų4148.7 Ų48.722%0.21527%0.272CS..Hα-helixtrans-70.6-14174.2-69.6-177.8000113.6V276 L278 K288 V291 V292 R330V276-L280 HydrophobicContact CG1-CD1 3.79Å; V276-L280 HydrophobicContact CG1-CG 4.11Å; V276-L280 WeakPolarHBondContact O-CB 3.31Å; V276-L280 VanDerWaalsContact O-CG 3.3Å; V276-L280 WeakPolarHBondContact O-CG 3.29Å; V276-L280 PolarHBondContact O-N 2.7Å; L278-L280 VanDerWaalsContact C-N 3.29Å; L278-L280 PolarHBondContact O-N 2.9Å; L280-K288 HydrophobicContact CD1-CG 4.4Å; L280-K288 HydrophobicContact CD2-CB 4.25Å; L280-K288 HydrophobicContact CD2-CG 3.86Å; L280-V291 HydrophobicContact CD2-CB 4.21Å; L280-V291 HydrophobicContact CD2-CG1 4Å; L280-V292 HydrophobicContact CD1-CG2 3.98Å; L280-V292 HydrophobicContact CD2-CG2 4.16Å; L280-V292 HydrophobicContact CG-CG2 4.37Å; L280-R330 PolarHBondContact O-NH2 2.96Å
281K87.9Confident92.4Very high46 Ų4648.9 Ų48.920%0.227%0.273CS..Hα-helixtrans-77.2-32168.4174.7-178.7173.6-178.30111.8P277 L278 A279 D323 S326 S328 R330P277-K281 PolarHBondContact O-N 3.26Å; L278-K281 WeakPolarHBondContact O-CA 3.26Å; L278-K281 VanDerWaalsContact O-CB 3.31Å; L278-K281 WeakPolarHBondContact O-CB 3.43Å; L278-K281 PolarHBondContact O-N 3.14Å; A279-K281 PolarHBondContact O-N 2.8Å; K281-D323 PolarHBondContact NZ-O 3.07Å; K281-S326 WeakPolarHBondContact CD-O 3.38Å; K281-S326 WeakPolarHBondContact CE-O 3.45Å; K281-S326 PolarHBondContact NZ-O 2.89Å; K281-S328 PolarHBondContact NZ-O 2.67Å; K281-R330 PolarHBondContact O-NE 2.87Å; K281-R330 PolarHBondContact O-NH2 2.83Å
282V87.2Confident92.3Very high106 Ų10650.7 Ų50.764%0.64228%0.284SS*.Hα-helixtrans-91.1-42-176.5179.30000112.5L278 A279L278-V282 PolarHBondContact O-N 3.49Å; A279-V282 PolarHBondContact O-N 3.28Å; A279-V282 VanDerWaalsContact O-N 3.16Å
283M88.8Confident92.1Very high24 Ų2453.3 Ų53.312%0.11829%0.294CS..SBendtrans-82.9149.2-168.2-65.2-62-69.800114.3L110 A279 H285 W287 V291 R330L110-M283 HydrophobicContact CD1-SD 3.79Å; A279-M283 WeakPolarHBondContact O-CB 3.04Å; A279-M283 WeakPolarHBondContact O-CG 3.37Å; A279-M283 PolarHBondContact O-N 3.38Å; M283-H285 PolarHBondContact O-N 2.98Å; M283-W287 HydrophobicContact CE-CE3 3.74Å; M283-W287 HydrophobicContact CE-CZ3 4.03Å; M283-V291 HydrophobicContact CB-CG1 4.29Å; M283-V291 HydrophobicContact CB-CG2 3.62Å; M283-V291 HydrophobicContact CE-CG2 4.07Å; M283-V291 HydrophobicContact CG-CG1 4.07Å; M283-V291 HydrophobicContact CG-CG2 3.77Å; M283-R330 PolarHBondContact O-NH1 2.82Å; M283-R330 PolarHBondContact O-NH2 2.86Å
284P88.5Confident92Very high64 Ų6453 Ų5342%0.41629%0.292SS..  trans-52.6137.2177.8-26.334.7000113.4S286 W287P284-S286 PolarHBondContact O-N 3.22Å; P284-W287 PolarHBondContact O-N 3.08Å
285H88.5Confident91.9Very high134 Ų13452.5 Ų52.562%0.6229%0.29SS*.G310 helixtrans-60.9-30.4-177.1-70.5-57.3000113.2M283 W287 K288 R330M283-H285 PolarHBondContact O-N 2.98Å; H285-W287 PolarHBondContact O-N 2.68Å; H285-K288 WeakPolarHBondContact O-CB 3.4Å; H285-K288 PolarHBondContact O-N 2.65Å; H285-R330 PolarHBondContact CD2-NH1 2.93Å; H285-R330 PolarHBondContact CE1-NE 3.21Å; H285-R330 PolarHBondContact CE1-NH1 3.08Å; H285-R330 VanDerWaalsContact CE1-NH1 3.28Å; H285-R330 WeakPolarHBondContact NE2-CD 3.17Å; H285-R330 PolarHBondContact NE2-NH1 2.79Å
286S91.4Very high91.8Very high105 Ų10554.2 Ų54.273%0.73430%0.295SS*.G310 helixtrans-61.5-20.3174.952.10000113.3P284P284-S286 PolarHBondContact O-N 3.22Å
287W91Very high91.7Very high119 Ų11955.4 Ų55.445%0.45130%0.3SS..G310 helixtrans-99.97.7-178.8-67.214.1000113.1M283 P284 H285 G289 L290 V291M283-W287 HydrophobicContact CE-CE3 3.74Å; M283-W287 HydrophobicContact CE-CZ3 4.03Å; P284-W287 PolarHBondContact O-N 3.08Å; H285-W287 PolarHBondContact O-N 2.68Å; W287-G289 VanDerWaalsContact C-N 3.3Å; W287-G289 PolarHBondContact O-N 2.8Å; W287-G289 VanDerWaalsContact O-N 3.13Å; W287-L290 PolarHBondContact O-N 3.35Å; W287-V291 HydrophobicContact CB-CG2 4.05Å; W287-V291 WeakPolarHBondContact O-CG2 3.24Å; W287-V291 PolarHBondContact O-N 2.97Å
288K92.2Very high91.8Very high128 Ų12855.9 Ų55.956%0.55730%0.299SS*.Hα-helixtrans-45.6-50.8-174.4178.6180178.8-176.90113L280 H285 V291 V292L280-K288 HydrophobicContact CD1-CG 4.4Å; L280-K288 HydrophobicContact CD2-CB 4.25Å; L280-K288 HydrophobicContact CD2-CG 3.86Å; H285-K288 WeakPolarHBondContact O-CB 3.4Å; H285-K288 PolarHBondContact O-N 2.65Å; K288-V291 PolarHBondContact O-N 3.03Å; K288-V292 HydrophobicContact CG-CG2 4.4Å; K288-V292 WeakPolarHBondContact O-CB 3.37Å; K288-V292 VanDerWaalsContact O-CG2 3.25Å; K288-V292 WeakPolarHBondContact O-CG2 3.18Å; K288-V292 PolarHBondContact O-N 3.31Å
289G92.4Very high91.9Very high59 Ų5955.1 Ų55.161%0.60830%0.295SS*.Hα-helixtrans-61.9-44.7-178.200000113.2W287 R293W287-G289 VanDerWaalsContact C-N 3.3Å; W287-G289 PolarHBondContact O-N 2.8Å; W287-G289 VanDerWaalsContact O-N 3.13Å; G289-R293 WeakPolarHBondContact O-CB 3.29Å; G289-R293 PolarHBondContact O-N 3.02Å
290L93.1Very high92.1Very high53 Ų5355 Ų5528%0.27729%0.291SS..Hα-helixtrans-66.7-42.2178-179.462.3000111.6A98 L102 W287 R293 T294A98-L290 HydrophobicContact CB-CD1 3.9Å; L102-L290 HydrophobicContact CD2-CD2 4.18Å; L102-L290 HydrophobicContact CD2-CG 4.15Å; W287-L290 PolarHBondContact O-N 3.35Å; L290-R293 PolarHBondContact O-N 2.99Å; L290-T294 WeakPolarHBondContact O-CB 3.47Å; L290-T294 PolarHBondContact O-N 2.92Å; L290-T294 PolarHBondContact O-OG1 3.14Å
291V92.9Very high92.3Very high6 Ų653 Ų534%0.03628%0.282CS..Hα-helixtrans-64-48.7179.2173.20000110.9A279 L280 M283 W287 K288 R293 T294 V295A279-V291 HydrophobicContact CB-CG1 3.87Å; L280-V291 HydrophobicContact CD2-CB 4.21Å; L280-V291 HydrophobicContact CD2-CG1 4Å; M283-V291 HydrophobicContact CB-CG1 4.29Å; M283-V291 HydrophobicContact CB-CG2 3.62Å; M283-V291 HydrophobicContact CE-CG2 4.07Å; M283-V291 HydrophobicContact CG-CG1 4.07Å; M283-V291 HydrophobicContact CG-CG2 3.77Å; W287-V291 HydrophobicContact CB-CG2 4.05Å; W287-V291 WeakPolarHBondContact O-CG2 3.24Å; W287-V291 PolarHBondContact O-N 2.97Å; K288-V291 PolarHBondContact O-N 3.03Å; V291-R293 VanDerWaalsContact C-N 3.3Å; V291-R293 PolarHBondContact O-N 3.48Å; V291-T294 PolarHBondContact O-N 3.22Å; V291-V295 HydrophobicContact CG1-CG2 4.36Å; V291-V295 WeakPolarHBondContact O-CB 3.34Å; V291-V295 WeakPolarHBondContact O-CG2 3.26Å; V291-V295 PolarHBondContact O-N 3.14Å
292V94.2Very high92.5Very high46 Ų4651 Ų5128%0.27927%0.273SS..Hα-helixtrans-57.4-47.5176.7171.90000110.1V276 L280 K288 V295 R296V276-V292 HydrophobicContact CG1-CG2 3.89Å; L280-V292 HydrophobicContact CD1-CG2 3.98Å; L280-V292 HydrophobicContact CD2-CG2 4.16Å; L280-V292 HydrophobicContact CG-CG2 4.37Å; K288-V292 HydrophobicContact CG-CG2 4.4Å; K288-V292 WeakPolarHBondContact O-CB 3.37Å; K288-V292 VanDerWaalsContact O-CG2 3.25Å; K288-V292 WeakPolarHBondContact O-CG2 3.18Å; K288-V292 PolarHBondContact O-N 3.31Å; V292-V295 PolarHBondContact O-N 3.35Å; V292-R296 HydrophobicContact CG1-CG 4.29Å; V292-R296 WeakPolarHBondContact O-CB 3.3Å; V292-R296 WeakPolarHBondContact O-CG 3.27Å; V292-R296 PolarHBondContact O-N 3.16Å
293R93.5Very high93.1Very high58 Ų5846 Ų4622%0.21924%0.242CC..Hα-helixtrans-57.8-51.3177.1-177.4179.1-172.1125.531.2111.9Q96 G289 L290 V291 V295 R296 E297Q96-R293 VanDerWaalsContact CG-CZ 3.5Å; G289-R293 WeakPolarHBondContact O-CB 3.29Å; G289-R293 PolarHBondContact O-N 3.02Å; L290-R293 PolarHBondContact O-N 2.99Å; V291-R293 VanDerWaalsContact C-N 3.3Å; V291-R293 PolarHBondContact O-N 3.48Å; R293-V295 PolarHBondContact O-N 2.82Å; R293-R296 PolarHBondContact O-N 3.03Å; R293-E297 VanDerWaalsContact CG-CD 3.43Å; R293-E297 HydrophobicContact CG-CG 4.23Å; R293-E297 VanDerWaalsContact CG-OE2 3.26Å; R293-E297 WeakPolarHBondContact CG-OE2 3.41Å; R293-E297 IonicContact CZ-OE1 2.8Å; R293-E297 VanDerWaalsContact CZ-OE1 3.25Å; R293-E297 IonicContact NE-OE1 2.71Å; R293-E297 PolarHBondContact NE-OE1 3.48Å; R293-E297 IonicContact NE-OE2 3.1Å; R293-E297 PolarHBondContact NE-OE2 3.49Å; R293-E297 VanDerWaalsContact NE-OE2 3.1Å; R293-E297 IonicContact NH2-OE1 3.77Å; R293-E297 PolarHBondContact NH2-OE1 3.32Å; R293-E297 VanDerWaalsContact O-CB 3.3Å; R293-E297 WeakPolarHBondContact O-CB 3.4Å; R293-E297 WeakPolarHBondContact O-CG 3.43Å; R293-E297 PolarHBondContact O-N 3.24Å
294T94.1Very high93.5Very high5 Ų545.3 Ų45.33%0.03124%0.24CC..Hα-helixtrans-60-46.8-178.1-54.90000111.6S99 L102 A103 L290 V291 H298S99-T294 VanDerWaalsContact OG-CA 3.28Å; S99-T294 WeakPolarHBondContact OG-CA 3.37Å; L102-T294 HydrophobicContact CB-CG2 4.28Å; L102-T294 HydrophobicContact CD2-CG2 4.19Å; L102-T294 HydrophobicContact CG-CG2 4.18Å; A103-T294 HydrophobicContact CB-CG2 3.81Å; L290-T294 WeakPolarHBondContact O-CB 3.47Å; L290-T294 PolarHBondContact O-N 2.92Å; L290-T294 PolarHBondContact O-OG1 3.14Å; V291-T294 PolarHBondContact O-N 3.22Å; T294-H298 WeakPolarHBondContact O-CB 3.22Å; T294-H298 PolarHBondContact O-N 2.92Å
295V94.5Very high93.9Very high9 Ų945.3 Ų45.36%0.05524%0.235CC..Hα-helixtrans-62.9-49.3177.8171.90000110.3L275 V276 A279 V291 V292 R293 E297 F299 N300L275-V295 HydrophobicContact CB-CG1 4Å; L275-V295 HydrophobicContact CD2-CG1 4.01Å; L275-V295 HydrophobicContact CD2-CG2 4.48Å; L275-V295 HydrophobicContact CG-CG1 4.07Å; V276-V295 HydrophobicContact CG2-CB 4.02Å; V276-V295 HydrophobicContact CG2-CG1 3.49Å; V276-V295 VanDerWaalsContact CG2-CG1 3.49Å; A279-V295 HydrophobicContact CB-CG2 3.78Å; V291-V295 HydrophobicContact CG1-CG2 4.36Å; V291-V295 WeakPolarHBondContact O-CB 3.34Å; V291-V295 WeakPolarHBondContact O-CG2 3.26Å; V291-V295 PolarHBondContact O-N 3.14Å; V292-V295 PolarHBondContact O-N 3.35Å; R293-V295 PolarHBondContact O-N 2.82Å; V295-E297 PolarHBondContact O-N 3.1Å; V295-F299 CarbonylContact O-C 3.5Å; V295-F299 VanDerWaalsContact O-CA 3.27Å; V295-F299 WeakPolarHBondContact O-CA 3.33Å; V295-F299 PolarHBondContact O-N 3.35Å; V295-N300 PolarHBondContact O-N 2.77Å
296R93.8Very high94.3Very high55 Ų5538.9 Ų38.921%0.20821%0.205CC..Hα-helixtrans-66.2-34.1-178.3-67.3-69.1176.7-157.9-4.8113.6D274 V276 V292 R293 N300D274-R296 IonicContact OD1-CZ 3.54Å; D274-R296 IonicContact OD1-NH1 3.67Å; D274-R296 IonicContact OD1-NH2 2.7Å; D274-R296 PolarHBondContact OD1-NH2 3.41Å; D274-R296 IonicContact OD2-CZ 2.77Å; D274-R296 IonicContact OD2-NH1 3.62Å; D274-R296 PolarHBondContact OD2-NH1 2.88Å; D274-R296 IonicContact OD2-NH2 3.24Å; D274-R296 PolarHBondContact OD2-NH2 3.33Å; V276-R296 HydrophobicContact CG2-CG 4.23Å; V292-R296 HydrophobicContact CG1-CG 4.29Å; V292-R296 WeakPolarHBondContact O-CB 3.3Å; V292-R296 WeakPolarHBondContact O-CG 3.27Å; V292-R296 PolarHBondContact O-N 3.16Å; R293-R296 PolarHBondContact O-N 3.03Å; R296-N300 PolarHBondContact NH1-OD1 3.16Å
297E92.4Very high94.7Very high38 Ų3834 Ų3418%0.17817%0.171CC..Hα-helixtrans-85.5-30.1-177.1-70.6177.9164.300113.7R63 S99 R293 V295R63-E297 PolarHBondContact NH1-O 3.41Å; R63-E297 VanDerWaalsContact NH1-O 3.16Å; R63-E297 PolarHBondContact NH2-O 3.09Å; S99-E297 WeakPolarHBondContact CB-OE2 3.18Å; S99-E297 PolarHBondContact OG-OE2 3.25Å; R293-E297 VanDerWaalsContact CG-CD 3.43Å; R293-E297 HydrophobicContact CG-CG 4.23Å; R293-E297 VanDerWaalsContact CG-OE2 3.26Å; R293-E297 WeakPolarHBondContact CG-OE2 3.41Å; R293-E297 IonicContact CZ-OE1 2.8Å; R293-E297 VanDerWaalsContact CZ-OE1 3.25Å; R293-E297 IonicContact NE-OE1 2.71Å; R293-E297 PolarHBondContact NE-OE1 3.48Å; R293-E297 IonicContact NE-OE2 3.1Å; R293-E297 PolarHBondContact NE-OE2 3.49Å; R293-E297 VanDerWaalsContact NE-OE2 3.1Å; R293-E297 IonicContact NH2-OE1 3.77Å; R293-E297 PolarHBondContact NH2-OE1 3.32Å; R293-E297 VanDerWaalsContact O-CB 3.3Å; R293-E297 WeakPolarHBondContact O-CB 3.4Å; R293-E297 WeakPolarHBondContact O-CG 3.43Å; R293-E297 PolarHBondContact O-N 3.24Å; V295-E297 PolarHBondContact O-N 3.1Å
298H94.6Very high94.9Very high42 Ų4229.4 Ų29.419%0.19416%0.157CC..Hα-helixtrans-127.1-22.2-169.8-61.2-77.7000114.9Y100 A103 P216 T294Y100-H298 AromaticContact CD2-CE1 3.83Å; A103-H298 HydrophobicContact CB-CB 3.56Å; A103-H298 VanDerWaalsContact CB-CG 3.45Å; P216-H298 VanDerWaalsContact CD-O 3.26Å; P216-H298 WeakPolarHBondContact CD-O 3.18Å; T294-H298 WeakPolarHBondContact O-CB 3.22Å; T294-H298 PolarHBondContact O-N 2.92Å
299F95.5Very high95.1Very high2 Ų226.5 Ų26.51%0.00915%0.152CC..  trans-135.644.8-176.7-61.7-74.2000111.7A103 R108 V111 Y112 F215 P216 L275 V295 L301A103-F299 HydrophobicContact CB-CE2 3.81Å; R108-F299 HydrophobicContact CB-CZ 3.82Å; R108-F299 HydrophobicContact CG-CZ 4.33Å; V111-F299 HydrophobicContact CB-CD1 4.33Å; V111-F299 HydrophobicContact CB-CE1 4.5Å; V111-F299 HydrophobicContact CG1-CD1 4.08Å; V111-F299 HydrophobicContact CG2-CD1 4.37Å; V111-F299 HydrophobicContact CG2-CD2 4.38Å; V111-F299 HydrophobicContact CG2-CG 4.2Å; Y112-F299 HydrophobicContact CD2-CE1 4.22Å; Y112-F299 HydrophobicContact CE2-CD1 4.03Å; Y112-F299 HydrophobicContact CE2-CE1 4.04Å; F215-F299 HydrophobicContact CD1-CD1 4.41Å; F215-F299 AromaticContact CD1-CE1 3.62Å; F215-F299 HydrophobicContact CD1-CE1 3.62Å; F215-F299 AromaticContact CD1-CZ 3.82Å; F215-F299 HydrophobicContact CD1-CZ 3.82Å; F215-F299 AromaticContact CE1-CE1 3.83Å; F215-F299 HydrophobicContact CE1-CE1 3.83Å; F215-F299 HydrophobicContact CE1-CE2 4.32Å; F215-F299 AromaticContact CE1-CZ 3.5Å; F215-F299 HydrophobicContact CE1-CZ 3.5Å; F215-F299 HydrophobicContact CZ-CZ 4.44Å; P216-F299 HydrophobicContact CG-CD1 4.43Å; L275-F299 HydrophobicContact CD2-CB 3.97Å; V295-F299 CarbonylContact O-C 3.5Å; V295-F299 VanDerWaalsContact O-CA 3.27Å; V295-F299 WeakPolarHBondContact O-CA 3.33Å; V295-F299 PolarHBondContact O-N 3.35Å; F299-L301 PolarHBondContact O-N 3.28Å
300N94.8Very high95.3Very high14 Ų1423.8 Ų23.88%0.07512%0.123CC..  trans-73.778-177.5-168.443.4000110.6V295 R296 N302V295-N300 PolarHBondContact O-N 2.77Å; R296-N300 PolarHBondContact NH1-OD1 3.16Å; N300-N302 VanDerWaalsContact C-N 3.31Å; N300-N302 PolarHBondContact O-N 3.45Å; N300-N302 VanDerWaalsContact O-N 3.08Å
301L96Very high95.3Very high1 Ų123.2 Ų23.21%0.00512%0.123CC..  trans-81.880.4175.2-49.4-176.2000109V111 P216 V248 F251 F272 L275 F299 V303V111-L301 HydrophobicContact CG1-CD1 4.44Å; P216-L301 HydrophobicContact CB-CD2 4.23Å; P216-L301 HydrophobicContact CG-CD2 3.85Å; V248-L301 HydrophobicContact CG1-CD1 4.12Å; V248-L301 HydrophobicContact CG2-CD1 4.46Å; F251-L301 HydrophobicContact CB-CB 4.38Å; F251-L301 HydrophobicContact CB-CD2 4.16Å; F251-L301 HydrophobicContact CD1-CD2 3.99Å; F251-L301 HydrophobicContact CD2-CB 4.06Å; F251-L301 HydrophobicContact CD2-CD2 3.79Å; F251-L301 HydrophobicContact CE1-CD2 4.37Å; F251-L301 HydrophobicContact CE2-CD2 4.12Å; F251-L301 HydrophobicContact CG-CB 4.4Å; F251-L301 HydrophobicContact CG-CD2 3.7Å; F251-L301 HydrophobicContact CZ-CD2 4.43Å; F272-L301 HydrophobicContact CE2-CB 4.1Å; F272-L301 HydrophobicContact CE2-CD1 4.4Å; F272-L301 HydrophobicContact CZ-CB 4.43Å; F272-L301 HydrophobicContact CZ-CD1 3.96Å; L275-L301 HydrophobicContact CB-CB 4.07Å; L275-L301 HydrophobicContact CB-CD1 4.38Å; L275-L301 HydrophobicContact CB-CG 4.34Å; L275-L301 HydrophobicContact CD1-CD1 4.45Å; L275-L301 HydrophobicContact CD2-CD1 3.83Å; L275-L301 HydrophobicContact CD2-CG 4.01Å; L275-L301 HydrophobicContact CG-CD1 4.44Å; F299-L301 PolarHBondContact O-N 3.28Å; L301-V303 VanDerWaalsContact C-N 3.33Å; L301-V303 PolarHBondContact O-N 2.7Å
302N93.8Very high95.4Very high3 Ų323 Ų232%0.01612%0.122CC..  trans-91.557-175.564-23.2000112.4L62 N300 A304 E305 Q306L62-N302 WeakPolarHBondContact CB-ND2 3.37Å; L62-N302 WeakPolarHBondContact CD1-ND2 3.38Å; N300-N302 VanDerWaalsContact C-N 3.31Å; N300-N302 PolarHBondContact O-N 3.45Å; N300-N302 VanDerWaalsContact O-N 3.08Å; N302-A304 VanDerWaalsContact C-N 3.29Å; N302-A304 PolarHBondContact O-N 2.91Å; N302-E305 HydrophobicContact CB-CB 4.25Å; N302-E305 HydrophobicContact CB-CG 4.43Å; N302-E305 WeakPolarHBondContact CB-OE2 3.3Å; N302-E305 PolarHBondContact ND2-OE2 2.85Å; N302-E305 PolarHBondContact O-N 3.42Å; N302-E305 VanDerWaalsContact O-N 3.11Å; N302-Q306 PolarHBondContact O-N 2.91Å; N302-Q306 PolarHBondContact OD1-NE2 3.01Å
303V98.4Very high95.6Very high0 Ų022.4 Ų22.40%012%0.119CC..Hα-helixtrans-53.8-43.1-173.2-176.50000112F251 T254 F272 D273 L301 E305 Q306 L307 L347F251-V303 HydrophobicContact CB-CG2 4.18Å; T254-V303 HydrophobicContact CG2-CG1 3.69Å; F272-V303 HydrophobicContact CD2-CG2 4.38Å; F272-V303 HydrophobicContact CE2-CG2 4.16Å; F272-V303 WeakPolarHBondContact O-CB 3.47Å; F272-V303 WeakPolarHBondContact O-CG1 3.35Å; D273-V303 PolarHBondContact O-N 3.02Å; L301-V303 VanDerWaalsContact C-N 3.33Å; L301-V303 PolarHBondContact O-N 2.7Å; V303-E305 PolarHBondContact O-N 3.28Å; V303-Q306 PolarHBondContact O-N 3.3Å; V303-L307 WeakPolarHBondContact O-CB 3.49Å; V303-L307 PolarHBondContact O-N 2.88Å; V303-L347 HydrophobicContact CG1-CD1 4.21Å
304A97.9Very high95.8Very high10 Ų1019.6 Ų19.68%0.08311%0.108CC..Hα-helixtrans-67.1-36.4-179.400000114D273 N302 C308 L347 R350D273-A304 HydrophobicContact CB-CB 3.79Å; D273-A304 PolarHBondContact O-N 2.91Å; D273-A304 VanDerWaalsContact O-N 3.1Å; N302-A304 VanDerWaalsContact C-N 3.29Å; N302-A304 PolarHBondContact O-N 2.91Å; A304-C308 PolarHBondContact O-N 2.99Å; A304-C308 PolarHBondContact O-SG 3Å; A304-L347 HydrophobicContact CB-CD1 3.76Å; A304-R350 HydrophobicContact CB-CB 4.16Å; A304-R350 HydrophobicContact CB-CG 4.18Å
305E96.7Very high96.1Very high64 Ų6420 Ų2030%0.29911%0.11SC..Hα-helixtrans-66.8-47.3177.6-70.2171.6-170.800110.3L62 N302 V303 L307 C308 C309L62-E305 HydrophobicContact CD2-CB 4.31Å; N302-E305 HydrophobicContact CB-CB 4.25Å; N302-E305 HydrophobicContact CB-CG 4.43Å; N302-E305 WeakPolarHBondContact CB-OE2 3.3Å; N302-E305 PolarHBondContact ND2-OE2 2.85Å; N302-E305 PolarHBondContact O-N 3.42Å; N302-E305 VanDerWaalsContact O-N 3.11Å; V303-E305 PolarHBondContact O-N 3.28Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 3.22Å; E305-C308 PolarHBondContact O-N 2.95Å; E305-C309 PolarHBondContact O-SG 3.49Å
306Q97.9Very high96.3Very high0 Ų019.8 Ų19.80%011%0.109CC..Hα-helixtrans-63.4-40.3176.6-63.3177.20.800112F251 T254 M258 N302 V303 C308 C309F251-Q306 PolarHBondContact O-OE1 3.02Å; T254-Q306 PolarHBondContact OG1-OE1 2.98Å; M258-Q306 HydrophobicContact CE-CG 4.13Å; M258-Q306 HydrophobicContact SD-CB 4.14Å; M258-Q306 HydrophobicContact SD-CG 3.99Å; N302-Q306 PolarHBondContact O-N 2.91Å; N302-Q306 PolarHBondContact OD1-NE2 3.01Å; V303-Q306 PolarHBondContact O-N 3.3Å; Q306-C308 VanDerWaalsContact C-N 3.29Å; Q306-C308 PolarHBondContact O-N 3.45Å; Q306-C309 WeakPolarHBondContact O-CB 3.46Å; Q306-C309 PolarHBondContact O-N 3.05Å; Q306-C309 VanDerWaalsContact O-N 3.1Å
307L98.3Very high96.5Very high1 Ų117.3 Ų17.31%0.00510%0.1CC..Hα-helixtrans-58.1-41.5177.3173.960.9000111.9T254 L266 L268 V303 E305 C309 Y310 V314 L347 L351T254-L307 HydrophobicContact CG2-CB 3.9Å; T254-L307 HydrophobicContact CG2-CD1 4.44Å; L266-L307 HydrophobicContact CD2-CD1 3.57Å; L268-L307 HydrophobicContact CD1-CD1 4.27Å; L268-L307 HydrophobicContact CD1-CD2 4.4Å; V303-L307 WeakPolarHBondContact O-CB 3.49Å; V303-L307 PolarHBondContact O-N 2.88Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 3.22Å; L307-C309 PolarHBondContact O-N 3.4Å; L307-Y310 PolarHBondContact O-N 3.45Å; L307-V314 HydrophobicContact CD1-CG1 3.87Å; L307-V314 HydrophobicContact CD1-CG2 3.87Å; L307-L347 HydrophobicContact CB-CD1 4.47Å; L307-L347 HydrophobicContact CD2-CD1 3.46Å; L307-L347 VanDerWaalsContact CD2-CD1 3.46Å; L307-L347 HydrophobicContact CD2-CD2 4.4Å; L307-L347 HydrophobicContact CD2-CG 3.75Å; L307-L351 HydrophobicContact CD1-CD1 4.29Å; L307-L351 HydrophobicContact CD2-CB 4.06Å; L307-L351 HydrophobicContact CD2-CD1 4.21Å; L307-L351 HydrophobicContact CD2-CD2 4.45Å; L307-L351 HydrophobicContact CD2-CG 4.48Å; L307-L351 HydrophobicContact CG-CD1 4.03Å
308C97Very high96.7Very high23 Ų2315.7 Ų15.716%0.1559%0.092CC..Hα-helixtrans-64.7-24.5179.3-71.50000112.7A304 E305 Q306 Y310 H354A304-C308 PolarHBondContact O-N 2.99Å; A304-C308 PolarHBondContact O-SG 3Å; E305-C308 PolarHBondContact O-N 2.95Å; Q306-C308 VanDerWaalsContact C-N 3.29Å; Q306-C308 PolarHBondContact O-N 3.45Å; C308-Y310 VanDerWaalsContact C-N 3.33Å; C308-H354 HydrophobicContact CB-CB 4.16Å; C308-H354 PolarHBondContact O-CD2 3.04Å; C308-H354 PolarHBondContact O-NE2 2.86Å; C308-H354 VanDerWaalsContact O-NE2 3.09Å; C308-H354 VanDerWaalsContact SG-CB 3.54Å
309C96.1Very high96.6Very high68 Ų6814 Ų1446%0.4598%0.084SC..Hα-helixtrans-78.1-15.5177.6-60.80000114M258 E305 Q306 L307 P311M258-C309 HydrophobicContact CB-CB 4.08Å; M258-C309 HydrophobicContact CG-CB 3.55Å; M258-C309 HydrophobicContact SD-CB 4.1Å; E305-C309 PolarHBondContact O-SG 3.49Å; Q306-C309 WeakPolarHBondContact O-CB 3.46Å; Q306-C309 PolarHBondContact O-N 3.05Å; Q306-C309 VanDerWaalsContact O-N 3.1Å; L307-C309 PolarHBondContact O-N 3.4Å; C309-P311 WeakPolarHBondContact O-CD 3.37Å
310Y95.9Very high96.5Very high1 Ų114.7 Ų14.70%0.0049%0.088CC..  trans-85.7119.5-179.9174.9-126.3000111.1T257 L263 A265 L266 L307 C308 G312 P313 V314 R355T257-Y310 HydrophobicContact CG2-CD2 4.35Å; T257-Y310 HydrophobicContact CG2-CE1 4.47Å; T257-Y310 HydrophobicContact CG2-CE2 4.27Å; T257-Y310 HydrophobicContact CG2-CG 4.5Å; T257-Y310 WeakPolarHBondContact O-CD2 3.41Å; L263-Y310 PolarHBondContact O-OH 2.97Å; A265-Y310 VanDerWaalsContact CA-OH 3.26Å; A265-Y310 WeakPolarHBondContact CA-OH 3.41Å; A265-Y310 PolarHBondContact N-OH 3.16Å; L266-Y310 HydrophobicContact CB-CD1 3.96Å; L266-Y310 HydrophobicContact CB-CE1 3.61Å; L266-Y310 HydrophobicContact CD2-CD1 4.15Å; L307-Y310 PolarHBondContact O-N 3.45Å; C308-Y310 VanDerWaalsContact C-N 3.33Å; Y310-G312 VanDerWaalsContact CE1-C 3.48Å; Y310-P313 WeakPolarHBondContact CE1-O 3.37Å; Y310-V314 HydrophobicContact CD1-CG2 3.7Å; Y310-V314 HydrophobicContact CE1-CG2 3.96Å; Y310-R355 PolarHBondContact O-NH2 3.21Å
311P93.6Very high96.3Very high41 Ų4119.3 Ų19.327%0.26611%0.109SC..  trans-81.6-15.6-178.131.4-35000113.8P261 C309 F422P261-P311 HydrophobicContact CB-CG 4.05Å; C309-P311 WeakPolarHBondContact O-CD 3.37Å; P311-F422 WeakPolarHBondContact O-CE2 3.48Å
312G95.3Very high96Very high2 Ų219.6 Ų19.62%0.02111%0.111CC..SBendtrans-81.1-173-172.500000115.7Y310 R355 H418Y310-G312 VanDerWaalsContact CE1-C 3.48Å; G312-R355 VanDerWaalsContact O-CZ 3.3Å; G312-R355 PolarHBondContact O-NH1 2.86Å; G312-R355 PolarHBondContact O-NH2 2.86Å; G312-H418 VanDerWaalsContact CA-CG 3.45Å
313P97.4Very high95.7Very high33 Ų3323.5 Ų23.521%0.21413%0.132CC..  trans-66.1134.1-179.9-2233.9000113.4G264 L266 Y310 P466G264-P313 WeakPolarHBondContact O-CD 3.48Å; L266-P313 PolarHBondContact N-O 3.05Å; Y310-P313 WeakPolarHBondContact CE1-O 3.37Å; P313-P466 HydrophobicContact CB-CB 3.66Å; P313-P466 HydrophobicContact CB-CG 4.21Å
314V98.6Very high95.4Very high0 Ų026.1 Ų26.10%015%0.148CC..EExtended strand (participates in β ladder)trans-129.4131.1-178177.50000111.1L266 L307 Y310 L316 L351 H446L266-V314 HydrophobicContact CB-CG2 4.27Å; L266-V314 HydrophobicContact CD2-CG2 4.3Å; L266-V314 WeakPolarHBondContact O-CA 3.4Å; L307-V314 HydrophobicContact CD1-CG1 3.87Å; L307-V314 HydrophobicContact CD1-CG2 3.87Å; Y310-V314 HydrophobicContact CD1-CG2 3.7Å; Y310-V314 HydrophobicContact CE1-CG2 3.96Å; V314-L316 HydrophobicContact CG1-CD2 3.86Å; V314-L316 HydrophobicContact CG1-CG 4.39Å; V314-L351 HydrophobicContact CB-CD2 4.19Å; V314-L351 HydrophobicContact CG1-CD2 3.9Å; V314-H446 PolarHBondContact O-ND1 3Å
315L98.8Very high95.1Very high12 Ų1225.8 Ų25.86%0.06314%0.144CC..EExtended strand (participates in β ladder)trans-121.7129.7168.6-179.663.1000110.3L266 V267 L268 L317 K448 Q464 P466L266-L315 PolarHBondContact O-N 3.43Å; V267-L315 WeakPolarHBondContact CA-O 3.22Å; L268-L315 PolarHBondContact N-O 2.77Å; L315-L317 HydrophobicContact CD2-CD2 3.76Å; L315-L317 HydrophobicContact CG-CD2 3.94Å; L315-K448 HydrophobicContact CD1-CB 4.17Å; L315-Q464 HydrophobicContact CD2-CB 4.27Å; L315-Q464 WeakPolarHBondContact CD2-O 3.38Å; L315-P466 HydrophobicContact CB-CB 3.91Å; L315-P466 HydrophobicContact CB-CG 3.75Å
316L98.7Very high94.8Very high5 Ų522.7 Ų22.73%0.02613%0.13CC..EExtended strand (participates in β ladder)trans-104.1121.4172.7-52.3-176.1000108.8L268 V314 L347 L348 H446 L447 K448L268-L316 HydrophobicContact CB-CD2 3.8Å; L268-L316 HydrophobicContact CD1-CD2 3.76Å; L268-L316 HydrophobicContact CG-CD2 4.23Å; L268-L316 CarbonylContact O-C 3.59Å; L268-L316 WeakPolarHBondContact O-CA 3.38Å; V314-L316 HydrophobicContact CG1-CD2 3.86Å; V314-L316 HydrophobicContact CG1-CG 4.39Å; L316-L347 HydrophobicContact CD1-CD2 4.41Å; L316-L347 HydrophobicContact CD1-CG 4.23Å; L316-L347 HydrophobicContact CD2-CD2 4Å; L316-L347 HydrophobicContact CD2-CG 4.44Å; L316-L348 HydrophobicContact CD1-CB 3.84Å; L316-L348 HydrophobicContact CD1-CD1 4.03Å; L316-H446 WeakPolarHBondContact CB-O 3.25Å; L316-H446 PolarHBondContact N-O 2.96Å; L316-L447 HydrophobicContact CB-CD1 3.52Å; L316-L447 HydrophobicContact CD1-CD1 4.28Å; L316-L447 CarbonylContact O-C 3.57Å; L316-L447 WeakPolarHBondContact O-CA 3.41Å; L316-K448 PolarHBondContact O-N 3.37Å
317L98.2Very high94.3Very high4 Ų425.4 Ų25.42%0.02115%0.147CC..EExtended strand (participates in β ladder)trans-96.3107.5170.6-53.9-178.3000108.4V267 L268 D269 A270 L315 K448 V450 L458V267-L317 HydrophobicContact CG1-CD1 4.07Å; V267-L317 HydrophobicContact CG1-CG 4.22Å; L268-L317 PolarHBondContact O-N 3.37Å; D269-L317 HydrophobicContact CB-CB 4.03Å; D269-L317 HydrophobicContact CB-CD1 4.18Å; A270-L317 PolarHBondContact N-O 2.78Å; L315-L317 HydrophobicContact CD2-CD2 3.76Å; L315-L317 HydrophobicContact CG-CD2 3.94Å; L317-K448 WeakPolarHBondContact CA-O 3.48Å; L317-K448 HydrophobicContact CD2-CB 3.87Å; L317-K448 HydrophobicContact CD2-CD 3.99Å; L317-K448 HydrophobicContact CD2-CG 4.3Å; L317-V450 HydrophobicContact CB-CG2 4.37Å; L317-L458 HydrophobicContact CD1-CD1 4.25Å; L317-L458 HydrophobicContact CD1-CD2 3.65Å
318R96.4Very high93.2Very high4 Ų427.3 Ų27.32%0.01516%0.16CC..EExtended strand (participates in β ladder)trans-98.4112.7178.4-174.7-176.970.8159.67.4109.8T320 N345 L372 L447 K448 N449 V450R318-T320 PolarHBondContact O-N 3.5Å; R318-N345 VanDerWaalsContact CD-OD1 3.24Å; R318-N345 WeakPolarHBondContact CD-OD1 3.38Å; R318-N345 PolarHBondContact NH1-OD1 2.89Å; R318-L372 PolarHBondContact NH1-O 3.03Å; R318-L447 HydrophobicContact CB-CD1 3.7Å; R318-L447 HydrophobicContact CB-CD2 4.36Å; R318-L447 HydrophobicContact CB-CG 4.23Å; R318-K448 PolarHBondContact N-O 3.07Å; R318-N449 PolarHBondContact NE-OD1 2.94Å; R318-N449 PolarHBondContact NH2-ND2 3.29Å; R318-N449 VanDerWaalsContact NH2-ND2 3.16Å; R318-N449 PolarHBondContact NH2-OD1 3.44Å; R318-N449 WeakPolarHBondContact O-CA 3.16Å; R318-V450 PolarHBondContact O-N 3.28Å
319R94.2Very high91.4Very high6 Ų628.3 Ų28.32%0.02317%0.174CC..EExtended strand (participates in β ladder)trans-75.5120174.4-63.3-170.6-174-150.9-0.2110.5D269 A270 Q321 D322 N342 V450 T453 H454 S456D269-R319 IonicContact OD1-CZ 2.63Å; D269-R319 IonicContact OD1-NE 3.98Å; D269-R319 PolarHBondContact OD1-NE 3.27Å; D269-R319 IonicContact OD1-NH2 3.75Å; D269-R319 IonicContact OD2-CZ 2.92Å; D269-R319 IonicContact OD2-NE 2.76Å; D269-R319 PolarHBondContact OD2-NE 3.46Å; D269-R319 IonicContact OD2-NH2 3.99Å; D269-R319 PolarHBondContact OD2-NH2 3.08Å; A270-R319 HydrophobicContact CB-CG 4.02Å; R319-Q321 VanDerWaalsContact C-N 3.32Å; R319-Q321 PolarHBondContact O-N 3.47Å; R319-D322 HydrophobicContact CB-CB 3.92Å; R319-D322 VanDerWaalsContact O-CB 3.31Å; R319-D322 WeakPolarHBondContact O-CB 3.36Å; R319-D322 PolarHBondContact O-N 2.77Å; R319-N342 PolarHBondContact O-ND2 3Å; R319-V450 WeakPolarHBondContact CA-O 3.31Å; R319-T453 VanDerWaalsContact CD-O 3.27Å; R319-T453 WeakPolarHBondContact CD-O 3.17Å; R319-T453 PolarHBondContact NH1-O 2.84Å; R319-H454 PolarHBondContact NH1-O 3.36Å; R319-S456 PolarHBondContact NH1-O 3.2Å; R319-S456 PolarHBondContact NH2-O 3.23Å
320T92.1Very high89.2Confident16 Ų1629.9 Ų29.910%0.09817%0.17CC..THydrogen-bonded Turntrans-77.7-17.4-170.660.70000113.5R318 V339 N449 V450 E451R318-T320 PolarHBondContact O-N 3.5Å; T320-V339 HydrophobicContact CG2-CG1 4.44Å; T320-N449 HydrophobicContact CG2-CB 3.84Å; T320-V450 PolarHBondContact N-O 2.88Å; T320-V450 PolarHBondContact OG1-O 3.35Å; T320-E451 WeakPolarHBondContact OG1-CA 3.23Å
321Q90.7Very high86.7Confident112 Ų11238 Ų3852%0.52321%0.213SC..THydrogen-bonded Turntrans-108.725.7177.7-48.3176.820.900111.8R319 A452 T453R319-Q321 VanDerWaalsContact C-N 3.32Å; R319-Q321 PolarHBondContact O-N 3.47Å; Q321-A452 WeakPolarHBondContact CB-O 3.4Å; Q321-A452 PolarHBondContact N-O 3.39Å; Q321-A452 VanDerWaalsContact N-O 3.16Å; Q321-T453 HydrophobicContact CB-CG2 4.27Å
322D90.5Very high84.3Confident7 Ų746.2 Ų46.24%0.03724%0.239CC..  trans-86.7114.3-178.5-164.5-39.2000112A270 R319 V324 V325 S326 H454A270-D322 WeakPolarHBondContact CB-OD2 3.08Å; R319-D322 HydrophobicContact CB-CB 3.92Å; R319-D322 VanDerWaalsContact O-CB 3.31Å; R319-D322 WeakPolarHBondContact O-CB 3.36Å; R319-D322 PolarHBondContact O-N 2.77Å; D322-V324 PolarHBondContact OD1-N 3.48Å; D322-V325 HydrophobicContact CB-CG2 4.5Å; D322-V325 PolarHBondContact OD1-N 3.49Å; D322-V325 WeakPolarHBondContact OD2-CG2 2.89Å; D322-S326 WeakPolarHBondContact O-CB 3.44Å; D322-H454 VanDerWaalsContact CG-ND1 3.3Å; D322-H454 IonicContact OD1-CG 2.65Å; D322-H454 IonicContact OD1-ND1 2.8Å; D322-H454 PolarHBondContact OD1-ND1 3.28Å; D322-H454 IonicContact OD2-CE1 3.17Å; D322-H454 IonicContact OD2-CG 3.64Å; D322-H454 IonicContact OD2-ND1 2.68Å; D322-H454 PolarHBondContact OD2-ND1 2.81Å
323D88.1Confident81.9Confident84 Ų8452 Ų5245%0.44928%0.276SS..  trans-99.4-12.1175.668.3-30.3000113.1K281 L334K281-D323 PolarHBondContact NZ-O 3.07Å; D323-L334 HydrophobicContact CB-CD1 3.69Å
324V90.3Very high79.7Confident56 Ų5653.3 Ų53.334%0.33928%0.281SS..SBendtrans-76.9-54.3-176.9177.60000110D322 S326 H454 F455D322-V324 PolarHBondContact OD1-N 3.48Å; V324-S326 PolarHBondContact O-N 3Å; V324-H454 HydrophobicContact CB-CB 3.92Å; V324-H454 HydrophobicContact CG2-CB 3.57Å; V324-F455 HydrophobicContact CG2-CE2 3.7Å; V324-F455 HydrophobicContact CG2-CZ 3.89Å
325V92.5Very high77.3Confident2 Ų257.8 Ų57.81%0.01231%0.312CS..SBendtrans-92.426.3178.4-59.70000112.4A270 F272 L278 D322 R343A270-V325 WeakPolarHBondContact O-CG1 3.36Å; F272-V325 HydrophobicContact CB-CB 4.43Å; F272-V325 HydrophobicContact CD1-CG1 3.82Å; L278-V325 HydrophobicContact CD1-CB 4.38Å; L278-V325 HydrophobicContact CD1-CG1 4.21Å; D322-V325 HydrophobicContact CB-CG2 4.5Å; D322-V325 PolarHBondContact OD1-N 3.49Å; D322-V325 WeakPolarHBondContact OD2-CG2 2.89Å; V325-R343 WeakPolarHBondContact O-CB 3.33Å; V325-R343 VanDerWaalsContact O-CG 3.24Å; V325-R343 WeakPolarHBondContact O-CG 3.29Å; V325-R343 PolarHBondContact O-N 3.01Å
326S90.7Very high74.8Confident0 Ų063.8 Ų63.80%035%0.352CS..BIsolated β-bridgetrans-109.5133.8174.4-179.80000110.9K281 D322 V324 S328 G341K281-S326 WeakPolarHBondContact CD-O 3.38Å; K281-S326 WeakPolarHBondContact CE-O 3.45Å; K281-S326 PolarHBondContact NZ-O 2.89Å; D322-S326 WeakPolarHBondContact O-CB 3.44Å; V324-S326 PolarHBondContact O-N 3Å; S326-S328 VanDerWaalsContact C-N 3.29Å; S326-S328 PolarHBondContact OG-N 3.24Å; S326-G341 CarbonylContact C-O 3.55Å; S326-G341 VanDerWaalsContact CA-O 3.26Å; S326-G341 WeakPolarHBondContact CA-O 3.41Å; S326-G341 PolarHBondContact OG-O 2.92Å
327T87.8Confident72.5Confident57 Ų5765.5 Ų65.535%0.3537%0.371SS..  trans-82.4-6.2172.746.30000113.7P277 L278 G341 R343P277-T327 HydrophobicContact CB-CG2 3.63Å; L278-T327 HydrophobicContact CD2-CG2 4.3Å; T327-G341 PolarHBondContact N-O 2.76Å; T327-G341 PolarHBondContact OG1-O 2.94Å; T327-R343 HydrophobicContact CG2-CG 4.37Å
328S74.2Confident71Confident41 Ų4166.7 Ų66.729%0.28738%0.384SS..  trans-73.2142.6173-70.20000110.7K281 S326 G341K281-S328 PolarHBondContact NZ-O 2.67Å; S326-S328 VanDerWaalsContact C-N 3.29Å; S326-S328 PolarHBondContact OG-N 3.24Å; S328-G341 WeakPolarHBondContact OG-CA 3.34Å; S328-G341 PolarHBondContact OG-N 3.3Å
329G58.8Low70.4Confident44 Ų4466.6 Ų66.645%0.45438%0.384SS..  trans100.646.9163.300000118.5
330R50.2Low70Confident100 Ų10071.9 Ų71.938%0.37741%0.409SS..SBendtrans-75.4-26.6161.7-90.7-165.3-179.4-132.2-5.3114.3L280 K281 M283 H285L280-R330 PolarHBondContact O-NH2 2.96Å; K281-R330 PolarHBondContact O-NE 2.87Å; K281-R330 PolarHBondContact O-NH2 2.83Å; M283-R330 PolarHBondContact O-NH1 2.82Å; M283-R330 PolarHBondContact O-NH2 2.86Å; H285-R330 PolarHBondContact CD2-NH1 2.93Å; H285-R330 PolarHBondContact CE1-NE 3.21Å; H285-R330 PolarHBondContact CE1-NH1 3.08Å; H285-R330 VanDerWaalsContact CE1-NH1 3.28Å; H285-R330 WeakPolarHBondContact NE2-CD 3.17Å; H285-R330 PolarHBondContact NE2-NH1 2.79Å
331L44Very low69.8Low171 Ų17171.5 Ų71.590%0.89541%0.408SS*.SBendtrans-136.92-165.8-73.9167.7000115.2
332R42.7Very low69.9Low214 Ų21466.4 Ų66.481%0.80838%0.384SS*.SBendtrans-144.8141.7170.8-79.3-173.3179162.5-0.3109L334R332-L334 PolarHBondContact O-N 3.16Å
333P45.7Very low70.2Confident123 Ų12367.9 Ų67.980%0.79939%0.389SS*.PPolyproline II helixtrans-48136.1161.2-19.930.3000108.3S335P333-S335 PolarHBondContact O-N 3.34Å; P333-S335 VanDerWaalsContact O-N 3.13Å
334L50.7Low70.6Confident62 Ų6264.2 Ų64.233%0.32537%0.371SS..PPolyproline II helixtrans-51.4124.1168.8-81.1152.8000107.4D323 R332 G338D323-L334 HydrophobicContact CB-CD1 3.69Å; R332-L334 PolarHBondContact O-N 3.16Å; L334-G338 WeakPolarHBondContact CD2-O 3.35Å
335S48.5Very low70.9Confident93 Ų9362 Ų6265%0.6536%0.357SS*.PPolyproline II helixtrans-55.7140.3162.2-60.30000107.2P333 G337 G338P333-S335 PolarHBondContact O-N 3.34Å; P333-S335 VanDerWaalsContact O-N 3.13Å; S335-G337 PolarHBondContact O-N 2.85Å; S335-G337 VanDerWaalsContact O-N 3.09Å; S335-G338 PolarHBondContact O-N 3.4Å
336P45.1Very low71.1Confident138 Ų13865 Ų6590%0.89637%0.371SS*.THydrogen-bonded Turntrans-46.7123.1170.7-24.831.9000109.6
337G52.3Low71.4Confident41 Ų4165 Ų6542%0.42337%0.372SS..THydrogen-bonded Turntrans91.413.4-177.300000116.9S335 V339S335-G337 PolarHBondContact O-N 2.85Å; S335-G337 VanDerWaalsContact O-N 3.09Å; G337-V339 PolarHBondContact O-N 2.97Å
338G66.4Low71.9Confident29 Ų2962.3 Ų62.330%0.29936%0.355SS..  trans-71.659.1176.800000115.6L334 S335 E340L334-G338 WeakPolarHBondContact CD2-O 3.35Å; S335-G338 PolarHBondContact O-N 3.4Å; G338-E340 VanDerWaalsContact C-N 3.34Å; G338-E340 PolarHBondContact O-N 2.87Å
339V83.5Confident73.1Confident3 Ų360.5 Ų60.52%0.01834%0.342CS..G310 helixtrans-78.8-11.1-178-640000114.5T320 G337 G341 N342 N345 L372 A374T320-V339 HydrophobicContact CG2-CG1 4.44Å; G337-V339 PolarHBondContact O-N 2.97Å; V339-G341 PolarHBondContact O-N 2.95Å; V339-N342 VanDerWaalsContact O-CB 3.3Å; V339-N342 WeakPolarHBondContact O-CB 3.24Å; V339-N342 PolarHBondContact O-N 2.93Å; V339-N342 VanDerWaalsContact O-N 3.08Å; V339-N345 PolarHBondContact O-ND2 3.01Å; V339-L372 VanDerWaalsContact CG2-O 3.29Å; V339-L372 WeakPolarHBondContact CG2-O 3.26Å; V339-A374 WeakPolarHBondContact CG2-O 3.39Å
340E84.8Confident75Confident117 Ų11765 Ų6555%0.54735%0.345SS..G310 helixtrans-59.7-35.5-174.4-175.5167.3-149.500112.5G338 N345 R373G338-E340 VanDerWaalsContact C-N 3.34Å; G338-E340 PolarHBondContact O-N 2.87Å; E340-N345 PolarHBondContact O-ND2 3.49Å; E340-N345 VanDerWaalsContact O-ND2 3.14Å; E340-R373 HydrophobicContact CG-CG 4.49Å; E340-R373 IonicContact OE1-CZ 3.72Å; E340-R373 IonicContact OE1-NE 2.9Å; E340-R373 PolarHBondContact OE1-NE 3.21Å; E340-R373 IonicContact OE1-NH2 3.68Å; E340-R373 PolarHBondContact OE1-NH2 2.92Å
341G88Confident77.3Confident7 Ų760.3 Ų60.37%0.07233%0.327CS..G310 helixtrans-82.9-5.8179.600000115.2S326 T327 S328 V339 R343S326-G341 CarbonylContact C-O 3.55Å; S326-G341 VanDerWaalsContact CA-O 3.26Å; S326-G341 WeakPolarHBondContact CA-O 3.41Å; S326-G341 PolarHBondContact OG-O 2.92Å; T327-G341 PolarHBondContact N-O 2.76Å; T327-G341 PolarHBondContact OG1-O 2.94Å; S328-G341 WeakPolarHBondContact OG-CA 3.34Å; S328-G341 PolarHBondContact OG-N 3.3Å; V339-G341 PolarHBondContact O-N 2.95Å; G341-R343 PolarHBondContact O-N 2.96Å
342N94.2Very high79.9Confident6 Ų652.1 Ų52.13%0.03229%0.285CS..BIsolated β-bridgetrans-65.2125.2-178.9-172.8-55.1000110.2R319 V339 G344 N345R319-N342 PolarHBondContact O-ND2 3Å; V339-N342 VanDerWaalsContact O-CB 3.3Å; V339-N342 WeakPolarHBondContact O-CB 3.24Å; V339-N342 PolarHBondContact O-N 2.93Å; V339-N342 VanDerWaalsContact O-N 3.08Å; N342-G344 PolarHBondContact O-N 3.42Å; N342-G344 WeakPolarHBondContact OD1-CA 3.43Å; N342-G344 PolarHBondContact OD1-N 2.92Å; N342-N345 WeakPolarHBondContact O-CB 3.25Å; N342-N345 PolarHBondContact O-N 3.27Å; N342-N345 PolarHBondContact O-ND2 3.33Å
343R95.9Very high82.5Confident38 Ų3844.7 Ų44.714%0.14326%0.259CS..THydrogen-bonded Turntrans-69.6-16.8-175.8-64.5-51.3-65.6179-0.2114F272 D273 L278 V325 T327 G341 N345 E346 L347F272-R343 HydrophobicContact CB-CB 3.5Å; F272-R343 HydrophobicContact CB-CG 4.16Å; D273-R343 IonicContact OD1-CZ 3.84Å; D273-R343 IonicContact OD1-NE 3.96Å; D273-R343 PolarHBondContact OD1-NE 2.94Å; D273-R343 IonicContact OD1-NH2 3.47Å; D273-R343 PolarHBondContact OD1-NH2 3.28Å; D273-R343 IonicContact OD2-CZ 3.75Å; D273-R343 IonicContact OD2-NE 3.21Å; D273-R343 IonicContact OD2-NH2 3.96Å; D273-R343 PolarHBondContact OD2-NH2 3.45Å; L278-R343 HydrophobicContact CD2-CG 3.74Å; L278-R343 HydrophobicContact CG-CG 4.21Å; V325-R343 WeakPolarHBondContact O-CB 3.33Å; V325-R343 VanDerWaalsContact O-CG 3.24Å; V325-R343 WeakPolarHBondContact O-CG 3.29Å; V325-R343 PolarHBondContact O-N 3.01Å; T327-R343 HydrophobicContact CG2-CG 4.37Å; G341-R343 PolarHBondContact O-N 2.96Å; R343-N345 PolarHBondContact O-N 3.12Å; R343-E346 PolarHBondContact O-N 3.26Å; R343-L347 PolarHBondContact O-N 2.99Å; R343-L347 VanDerWaalsContact O-N 3.14Å
344G96.4Very high85Confident7 Ų742.4 Ų42.47%0.07224%0.238CC..Hα-helixtrans-59.4-23.4167.200000113.4N342 L348N342-G344 PolarHBondContact O-N 3.42Å; N342-G344 WeakPolarHBondContact OD1-CA 3.43Å; N342-G344 PolarHBondContact OD1-N 2.92Å; G344-L348 PolarHBondContact O-N 3.36Å
345N96.7Very high87.3Confident9 Ų939.7 Ų39.75%0.04822%0.223CC..Hα-helixtrans-64.4-50.5173.8-63.4-13.2000111.6R318 V339 E340 N342 R343 L347 L348 L349 L372R318-N345 VanDerWaalsContact CD-OD1 3.24Å; R318-N345 WeakPolarHBondContact CD-OD1 3.38Å; R318-N345 PolarHBondContact NH1-OD1 2.89Å; V339-N345 PolarHBondContact O-ND2 3.01Å; E340-N345 PolarHBondContact O-ND2 3.49Å; E340-N345 VanDerWaalsContact O-ND2 3.14Å; N342-N345 WeakPolarHBondContact O-CB 3.25Å; N342-N345 PolarHBondContact O-N 3.27Å; N342-N345 PolarHBondContact O-ND2 3.33Å; R343-N345 PolarHBondContact O-N 3.12Å; N345-L347 VanDerWaalsContact C-N 3.29Å; N345-L347 PolarHBondContact O-N 3.2Å; N345-L348 PolarHBondContact O-N 3.49Å; N345-L349 VanDerWaalsContact O-CG 3.3Å; N345-L349 WeakPolarHBondContact O-CG 3.45Å; N345-L349 PolarHBondContact O-N 3.25Å; N345-L372 HydrophobicContact CB-CD1 4.01Å
346E96.8Very high89.6Confident65 Ų6535.7 Ų35.730%0.30419%0.194SC..Hα-helixtrans-65.5-37.7178.5-68.8-58.5142.800110.7D273 R343 L348 L349 R350D273-E346 HydrophobicContact CB-CB 4.2Å; R343-E346 PolarHBondContact O-N 3.26Å; E346-L348 PolarHBondContact O-N 2.88Å; E346-L349 PolarHBondContact O-N 2.88Å; E346-R350 WeakPolarHBondContact O-CB 3.28Å; E346-R350 VanDerWaalsContact O-CG 3.29Å; E346-R350 WeakPolarHBondContact O-CG 2.97Å; E346-R350 PolarHBondContact O-N 2.7Å
347L97.4Very high92.1Very high1 Ų131.5 Ų31.51%0.00517%0.166CC..Hα-helixtrans-60-46.3175.5-171.763.8000112.2L268 T271 D273 V303 A304 L307 L316 R343 N345 R350 L351L268-L347 HydrophobicContact CD1-CD2 4.03Å; T271-L347 HydrophobicContact CG2-CD2 3.5Å; T271-L347 VanDerWaalsContact CG2-CD2 3.5Å; D273-L347 HydrophobicContact CB-CB 4.18Å; D273-L347 HydrophobicContact CB-CD1 4.3Å; V303-L347 HydrophobicContact CG1-CD1 4.21Å; A304-L347 HydrophobicContact CB-CD1 3.76Å; L307-L347 HydrophobicContact CB-CD1 4.47Å; L307-L347 HydrophobicContact CD2-CD1 3.46Å; L307-L347 VanDerWaalsContact CD2-CD1 3.46Å; L307-L347 HydrophobicContact CD2-CD2 4.4Å; L307-L347 HydrophobicContact CD2-CG 3.75Å; L316-L347 HydrophobicContact CD1-CD2 4.41Å; L316-L347 HydrophobicContact CD1-CG 4.23Å; L316-L347 HydrophobicContact CD2-CD2 4Å; L316-L347 HydrophobicContact CD2-CG 4.44Å; R343-L347 PolarHBondContact O-N 2.99Å; R343-L347 VanDerWaalsContact O-N 3.14Å; N345-L347 VanDerWaalsContact C-N 3.29Å; N345-L347 PolarHBondContact O-N 3.2Å; L347-R350 PolarHBondContact O-N 2.93Å; L347-L351 WeakPolarHBondContact O-CB 3.36Å; L347-L351 PolarHBondContact O-N 3.38Å
348L98.6Very high94.3Very high0 Ų030.4 Ų30.40%015%0.154CC..Hα-helixtrans-61.9-45.3174.8-179.767.4000111.6L316 G344 N345 E346 R350 L351 L352 V368 W371 L372 A443 H446 L447L316-L348 HydrophobicContact CD1-CB 3.84Å; L316-L348 HydrophobicContact CD1-CD1 4.03Å; G344-L348 PolarHBondContact O-N 3.36Å; N345-L348 PolarHBondContact O-N 3.49Å; E346-L348 PolarHBondContact O-N 2.88Å; L348-R350 PolarHBondContact O-N 2.86Å; L348-L351 PolarHBondContact O-N 3.24Å; L348-L352 HydrophobicContact CD1-CD1 4.01Å; L348-L352 HydrophobicContact CD1-CG 4.01Å; L348-L352 HydrophobicContact CD2-CD1 4.35Å; L348-L352 HydrophobicContact CG-CD1 3.92Å; L348-L352 HydrophobicContact CG-CG 4.25Å; L348-L352 WeakPolarHBondContact O-CG 3.04Å; L348-L352 PolarHBondContact O-N 3.26Å; L348-V368 HydrophobicContact CD2-CG1 4.41Å; L348-W371 HydrophobicContact CD2-CZ3 3.99Å; L348-L372 HydrophobicContact CD2-CD2 3.91Å; L348-A443 HydrophobicContact CD2-CB 4.08Å; L348-H446 HydrophobicContact CD1-CB 3.7Å; L348-L447 HydrophobicContact CD1-CB 4.16Å; L348-L447 HydrophobicContact CD2-CB 3.82Å; L348-L447 HydrophobicContact CD2-CD2 4.02Å; L348-L447 HydrophobicContact CD2-CG 4.37Å
349L98.6Very high95.8Very high3 Ų329 Ų292%0.01614%0.14CC..Hα-helixtrans-60-47.2-179.4-70.2170.8000110.8N345 E346 L351 L352 E353 M360 V368 I369 L372N345-L349 VanDerWaalsContact O-CG 3.3Å; N345-L349 WeakPolarHBondContact O-CG 3.45Å; N345-L349 PolarHBondContact O-N 3.25Å; E346-L349 PolarHBondContact O-N 2.88Å; L349-L351 PolarHBondContact O-N 3.27Å; L349-L352 PolarHBondContact O-N 2.98Å; L349-E353 VanDerWaalsContact O-CB 3.24Å; L349-E353 WeakPolarHBondContact O-CB 3.34Å; L349-E353 WeakPolarHBondContact O-CG 3.26Å; L349-E353 PolarHBondContact O-N 3.26Å; L349-M360 HydrophobicContact CD2-CE 3.99Å; L349-V368 HydrophobicContact CD2-CB 4.25Å; L349-V368 HydrophobicContact CD2-CG1 3.78Å; L349-I369 HydrophobicContact CD1-CD1 4.26Å; L349-I369 HydrophobicContact CD1-CG1 3.83Å; L349-I369 HydrophobicContact CD2-CG1 4.02Å; L349-L372 HydrophobicContact CD1-CD1 4.31Å; L349-L372 HydrophobicContact CD2-CD1 4.18Å; L349-L372 HydrophobicContact CG-CD1 4.04Å
350R98.4Very high96.5Very high139 Ų13929.4 Ų29.453%0.52514%0.141SC..Hα-helixtrans-59-45.3176.5-71.3-67.5-168.4142.24.8112.2A304 E346 L347 L348 E353 H354A304-R350 HydrophobicContact CB-CB 4.16Å; A304-R350 HydrophobicContact CB-CG 4.18Å; E346-R350 WeakPolarHBondContact O-CB 3.28Å; E346-R350 VanDerWaalsContact O-CG 3.29Å; E346-R350 WeakPolarHBondContact O-CG 2.97Å; E346-R350 PolarHBondContact O-N 2.7Å; L347-R350 PolarHBondContact O-N 2.93Å; L348-R350 PolarHBondContact O-N 2.86Å; R350-E353 PolarHBondContact O-N 3.2Å; R350-H354 VanDerWaalsContact O-CB 3.31Å; R350-H354 WeakPolarHBondContact O-CB 3.38Å; R350-H354 PolarHBondContact O-N 2.94Å
351L98.6Very high96.9Very high0 Ų024.8 Ų24.80%012%0.123CC..Hα-helixtrans-58.7-49.9176.8177.266000111.6L307 V314 L347 L348 L349 H354 R355 H446L307-L351 HydrophobicContact CD1-CD1 4.29Å; L307-L351 HydrophobicContact CD2-CB 4.06Å; L307-L351 HydrophobicContact CD2-CD1 4.21Å; L307-L351 HydrophobicContact CD2-CD2 4.45Å; L307-L351 HydrophobicContact CD2-CG 4.48Å; L307-L351 HydrophobicContact CG-CD1 4.03Å; V314-L351 HydrophobicContact CB-CD2 4.19Å; V314-L351 HydrophobicContact CG1-CD2 3.9Å; L347-L351 WeakPolarHBondContact O-CB 3.36Å; L347-L351 PolarHBondContact O-N 3.38Å; L348-L351 PolarHBondContact O-N 3.24Å; L349-L351 PolarHBondContact O-N 3.27Å; L351-H354 PolarHBondContact O-N 3.45Å; L351-R355 HydrophobicContact CD1-CG 4.13Å; L351-R355 WeakPolarHBondContact O-CB 3.3Å; L351-R355 WeakPolarHBondContact O-CG 3.35Å; L351-R355 PolarHBondContact O-N 3.06Å; L351-H446 HydrophobicContact CD2-CB 4.28Å
352L98.6Very high97.3Very high0 Ų029.6 Ų29.60%015%0.153CC..Hα-helixtrans-70.8-38.3-177.3-65.8179.5000112.2L348 L349 H354 Y356 M360 V368 L442 A443L348-L352 HydrophobicContact CD1-CD1 4.01Å; L348-L352 HydrophobicContact CD1-CG 4.01Å; L348-L352 HydrophobicContact CD2-CD1 4.35Å; L348-L352 HydrophobicContact CG-CD1 3.92Å; L348-L352 HydrophobicContact CG-CG 4.25Å; L348-L352 WeakPolarHBondContact O-CG 3.04Å; L348-L352 PolarHBondContact O-N 3.26Å; L349-L352 PolarHBondContact O-N 2.98Å; L352-H354 VanDerWaalsContact C-N 3.32Å; L352-Y356 HydrophobicContact CD2-CD2 4.02Å; L352-Y356 HydrophobicContact CD2-CE2 4.17Å; L352-Y356 CarbonylContact O-C 3.55Å; L352-Y356 WeakPolarHBondContact O-CA 3.18Å; L352-Y356 PolarHBondContact O-N 3.04Å; L352-M360 HydrophobicContact CB-CE 3.92Å; L352-M360 HydrophobicContact CB-CG 3.71Å; L352-M360 HydrophobicContact CB-SD 3.82Å; L352-M360 HydrophobicContact CD1-CE 4.28Å; L352-M360 HydrophobicContact CD1-SD 4.15Å; L352-M360 WeakPolarHBondContact O-CG 3.38Å; L352-V368 HydrophobicContact CD1-CG1 4.38Å; L352-L442 HydrophobicContact CD2-CB 3.92Å; L352-A443 HydrophobicContact CD1-CB 3.95Å
353E98.3Very high97.3Very high58 Ų5832 Ų3227%0.27116%0.164SC..Hα-helixtrans-63.8-39.8176.7-75.6168.4-178.300111.1L349 R350 P357 M360 R365L349-E353 VanDerWaalsContact O-CB 3.24Å; L349-E353 WeakPolarHBondContact O-CB 3.34Å; L349-E353 WeakPolarHBondContact O-CG 3.26Å; L349-E353 PolarHBondContact O-N 3.26Å; R350-E353 PolarHBondContact O-N 3.2Å; E353-P357 WeakPolarHBondContact O-CA 3.39Å; E353-P357 WeakPolarHBondContact O-CB 3.32Å; E353-M360 HydrophobicContact CG-CB 3.97Å; E353-M360 HydrophobicContact CG-CE 4.23Å; E353-M360 HydrophobicContact CG-CG 4.43Å; E353-R365 WeakPolarHBondContact OE1-CD 3.26Å; E353-R365 IonicContact OE1-CZ 3.65Å; E353-R365 IonicContact OE1-NE 2.75Å; E353-R365 PolarHBondContact OE1-NE 3.16Å; E353-R365 IonicContact OE1-NH2 3.53Å
354H97.9Very high97.4Very high74 Ų7430.2 Ų30.234%0.34316%0.157SC..Hα-helixtrans-69.4-50.4174.4-179.178.4000111.9C308 R350 L351 L352 P423C308-H354 HydrophobicContact CB-CB 4.16Å; C308-H354 PolarHBondContact O-CD2 3.04Å; C308-H354 PolarHBondContact O-NE2 2.86Å; C308-H354 VanDerWaalsContact O-NE2 3.09Å; C308-H354 VanDerWaalsContact SG-CB 3.54Å; R350-H354 VanDerWaalsContact O-CB 3.31Å; R350-H354 WeakPolarHBondContact O-CB 3.38Å; R350-H354 PolarHBondContact O-N 2.94Å; L351-H354 PolarHBondContact O-N 3.45Å; L352-H354 VanDerWaalsContact C-N 3.32Å; H354-P423 VanDerWaalsContact O-CB 3.25Å; H354-P423 WeakPolarHBondContact O-CB 3.49Å
355R97.6Very high97.4Very high6 Ų634.3 Ų34.32%0.02317%0.171CC..Hα-helixtrans-73.7-33.3-174.9-70.1-168.9175.4-163.13.9113.8Y310 G312 L351 F422 W424Y310-R355 PolarHBondContact O-NH2 3.21Å; G312-R355 VanDerWaalsContact O-CZ 3.3Å; G312-R355 PolarHBondContact O-NH1 2.86Å; G312-R355 PolarHBondContact O-NH2 2.86Å; L351-R355 HydrophobicContact CD1-CG 4.13Å; L351-R355 WeakPolarHBondContact O-CB 3.3Å; L351-R355 WeakPolarHBondContact O-CG 3.35Å; L351-R355 PolarHBondContact O-N 3.06Å; R355-F422 HydrophobicContact CB-CB 4.48Å; R355-F422 HydrophobicContact CB-CD1 3.57Å; R355-F422 HydrophobicContact CB-CE1 3.86Å; R355-F422 HydrophobicContact CB-CG 3.94Å; R355-F422 HydrophobicContact CB-CZ 4.45Å; R355-F422 HydrophobicContact CG-CB 4.14Å; R355-F422 HydrophobicContact CG-CD1 3.76Å; R355-F422 HydrophobicContact CG-CD2 3.78Å; R355-F422 HydrophobicContact CG-CE1 4.09Å; R355-F422 HydrophobicContact CG-CE2 4.11Å; R355-F422 HydrophobicContact CG-CG 3.6Å; R355-F422 HydrophobicContact CG-CZ 4.26Å; R355-F422 WeakPolarHBondContact O-CD1 3.42Å; R355-W424 PolarHBondContact O-N 3.37Å
356Y98Very high97.5Very high8 Ų835.9 Ų35.93%0.03119%0.185CC..  trans-137.358.1-170.5-49-74.8000112.1L352 A358 V359 M360 L398 F422 W424 V426 L442L352-Y356 HydrophobicContact CD2-CD2 4.02Å; L352-Y356 HydrophobicContact CD2-CE2 4.17Å; L352-Y356 CarbonylContact O-C 3.55Å; L352-Y356 WeakPolarHBondContact O-CA 3.18Å; L352-Y356 PolarHBondContact O-N 3.04Å; Y356-A358 VanDerWaalsContact C-N 3.28Å; Y356-A358 PolarHBondContact O-N 2.64Å; Y356-V359 WeakPolarHBondContact O-CB 3.43Å; Y356-V359 PolarHBondContact O-N 3.42Å; Y356-M360 PolarHBondContact O-N 3.4Å; Y356-L398 HydrophobicContact CE1-CD2 4.44Å; Y356-F422 AromaticContact CE1-CE1 3.81Å; Y356-F422 HydrophobicContact CE1-CE1 3.81Å; Y356-F422 AromaticContact CZ-CE1 3.85Å; Y356-W424 HydrophobicContact CD1-CB 4.15Å; Y356-W424 HydrophobicContact CE1-CB 4.42Å; Y356-W424 HydrophobicContact CE1-CD2 4.41Å; Y356-W424 AromaticContact CE1-CE3 3.99Å; Y356-W424 HydrophobicContact CE1-CE3 3.99Å; Y356-V426 HydrophobicContact CD1-CG1 3.81Å; Y356-V426 HydrophobicContact CE1-CG1 4.47Å; Y356-L442 HydrophobicContact CD1-CD1 4.06Å; Y356-L442 HydrophobicContact CD2-CD1 3.65Å; Y356-L442 HydrophobicContact CD2-CD2 4.39Å; Y356-L442 HydrophobicContact CD2-CG 4.47Å; Y356-L442 HydrophobicContact CE1-CD1 4.34Å; Y356-L442 HydrophobicContact CE1-CD2 4.29Å; Y356-L442 HydrophobicContact CE2-CD1 3.95Å; Y356-L442 HydrophobicContact CE2-CD2 3.82Å; Y356-L442 HydrophobicContact CE2-CG 4.34Å; Y356-L442 HydrophobicContact CG-CD1 3.69Å
357P97.9Very high97.5Very high50 Ų5032.8 Ų32.833%0.32517%0.171SC..THydrogen-bonded Turntrans-58.4-37-171.122.1-34.6000113.3E353 M360 A361 P423 L425E353-P357 WeakPolarHBondContact O-CA 3.39Å; E353-P357 WeakPolarHBondContact O-CB 3.32Å; P357-M360 CarbonylContact O-C 3.53Å; P357-M360 PolarHBondContact O-N 3.24Å; P357-A361 PolarHBondContact O-N 3.03Å; P357-P423 HydrophobicContact CG-CB 3.9Å; P357-L425 HydrophobicContact CG-CD2 4.09Å
358A97.8Very high97.5Very high19 Ų1932.8 Ų32.816%0.15717%0.171CC..THydrogen-bonded Turntrans-70.8-32.4178.100000113Y356 A361 Q428 R435Y356-A358 VanDerWaalsContact C-N 3.28Å; Y356-A358 PolarHBondContact O-N 2.64Å; A358-A361 WeakPolarHBondContact O-CB 3.33Å; A358-Q428 HydrophobicContact CB-CG 3.87Å; A358-R435 WeakPolarHBondContact O-CD 3.23Å
359V98.2Very high97.5Very high0 Ų034.8 Ų34.80%018%0.181CC..THydrogen-bonded Turntrans-70.5-42172.1-176.20000110.6Y356 A361 G364 V426 L438 A439 L442Y356-V359 WeakPolarHBondContact O-CB 3.43Å; Y356-V359 PolarHBondContact O-N 3.42Å; V359-A361 PolarHBondContact O-N 2.79Å; V359-G364 WeakPolarHBondContact O-CA 3.28Å; V359-V426 HydrophobicContact CG2-CG1 3.97Å; V359-V426 WeakPolarHBondContact CG2-O 3.35Å; V359-L438 HydrophobicContact CG1-CB 4.06Å; V359-L438 HydrophobicContact CG1-CD2 4.25Å; V359-L438 HydrophobicContact CG1-CG 3.98Å; V359-L438 HydrophobicContact CG2-CD2 3.57Å; V359-L438 HydrophobicContact CG2-CG 4.12Å; V359-A439 HydrophobicContact CG1-CB 3.76Å; V359-L442 HydrophobicContact CG1-CD1 4.16Å; V359-L442 HydrophobicContact CG2-CD1 4.4Å
360M98Very high97.3Very high10 Ų1040 Ų405%0.04920%0.2CC..THydrogen-bonded Turntrans-8514.6-178.5-66.3-58.3-70.700114.3L349 L352 E353 Y356 P357 R365 V368 A439L349-M360 HydrophobicContact CD2-CE 3.99Å; L352-M360 HydrophobicContact CB-CE 3.92Å; L352-M360 HydrophobicContact CB-CG 3.71Å; L352-M360 HydrophobicContact CB-SD 3.82Å; L352-M360 HydrophobicContact CD1-CE 4.28Å; L352-M360 HydrophobicContact CD1-SD 4.15Å; L352-M360 WeakPolarHBondContact O-CG 3.38Å; E353-M360 HydrophobicContact CG-CB 3.97Å; E353-M360 HydrophobicContact CG-CE 4.23Å; E353-M360 HydrophobicContact CG-CG 4.43Å; Y356-M360 PolarHBondContact O-N 3.4Å; P357-M360 CarbonylContact O-C 3.53Å; P357-M360 PolarHBondContact O-N 3.24Å; M360-R365 HydrophobicContact CE-CB 4.32Å; M360-V368 HydrophobicContact CE-CB 4.34Å; M360-V368 HydrophobicContact CE-CG2 4.21Å; M360-V368 HydrophobicContact SD-CG2 4.13Å; M360-A439 HydrophobicContact SD-CB 4.14Å
361A93.4Very high97.2Very high21 Ų2133.4 Ų33.417%0.17418%0.175CC..SBendtrans-46.2161.516200000111.5P357 A358 V359 E363 G364 R365P357-A361 PolarHBondContact O-N 3.03Å; A358-A361 WeakPolarHBondContact O-CB 3.33Å; V359-A361 PolarHBondContact O-N 2.79Å; A361-E363 PolarHBondContact O-N 3.39Å; A361-G364 WeakPolarHBondContact O-CA 3.37Å; A361-G364 PolarHBondContact O-N 2.81Å; A361-R365 PolarHBondContact O-N 3.16Å
362P95.6Very high97Very high107 Ų10733.6 Ų33.670%0.69518%0.177SC*.Hα-helixtrans-46.9-37.4-165.5-32.336.2000115.7A366P362-A366 WeakPolarHBondContact O-CB 3.48Å; P362-A366 PolarHBondContact O-N 2.8Å
363E94.4Very high96.7Very high58 Ų5840 Ų4027%0.27120%0.201SC..Hα-helixtrans-73-36.3178.7-47.4100124.800113.9A361 V367 S432 R435 R436A361-E363 PolarHBondContact O-N 3.39Å; E363-V367 PolarHBondContact O-N 2.92Å; E363-S432 WeakPolarHBondContact OE1-CB 3.5Å; E363-S432 PolarHBondContact OE1-OG 3.35Å; E363-R435 IonicContact OE1-CZ 3.37Å; E363-R435 IonicContact OE1-NH1 3.64Å; E363-R435 IonicContact OE1-NH2 3.62Å; E363-R435 PolarHBondContact OE1-NH2 2.91Å; E363-R435 IonicContact OE2-CZ 3.51Å; E363-R435 IonicContact OE2-NH1 3.69Å; E363-R435 PolarHBondContact OE2-NH1 3.34Å; E363-R435 IonicContact OE2-NH2 2.77Å; E363-R436 HydrophobicContact CB-CG 4.26Å; E363-R436 WeakPolarHBondContact O-CG 3.44Å
364G97.3Very high96.3Very high0 Ų037.6 Ų37.60%019%0.191CC..Hα-helixtrans-66.7-50.5174.300000110.9V359 A361 A366 V367 V368V359-G364 WeakPolarHBondContact O-CA 3.28Å; A361-G364 WeakPolarHBondContact O-CA 3.37Å; A361-G364 PolarHBondContact O-N 2.81Å; G364-A366 VanDerWaalsContact C-N 3.34Å; G364-A366 PolarHBondContact O-N 2.76Å; G364-V367 WeakPolarHBondContact O-CG1 3.49Å; G364-V367 PolarHBondContact O-N 3.19Å; G364-V368 WeakPolarHBondContact O-CG2 3.44Å; G364-V368 PolarHBondContact O-N 2.84Å; G364-V368 VanDerWaalsContact O-N 3.09Å
365R97.9Very high95.3Very high92 Ų9234.8 Ų34.835%0.34718%0.182SC..Hα-helixtrans-55.3-48.4174.4-172.5-178.8-171.5-78.8-12.6112.2E353 M360 A361 V367 V368 I369E353-R365 WeakPolarHBondContact OE1-CD 3.26Å; E353-R365 IonicContact OE1-CZ 3.65Å; E353-R365 IonicContact OE1-NE 2.75Å; E353-R365 PolarHBondContact OE1-NE 3.16Å; E353-R365 IonicContact OE1-NH2 3.53Å; M360-R365 HydrophobicContact CE-CB 4.32Å; A361-R365 PolarHBondContact O-N 3.16Å; R365-V367 VanDerWaalsContact C-N 3.3Å; R365-V367 PolarHBondContact O-N 2.98Å; R365-V368 PolarHBondContact O-N 3.13Å; R365-I369 HydrophobicContact CG-CD1 4.02Å; R365-I369 WeakPolarHBondContact O-CG1 3.33Å; R365-I369 PolarHBondContact O-N 3.34Å
366A97.5Very high94.8Very high43 Ų4336.2 Ų36.236%0.35519%0.193SC..Hα-helixtrans-61.9-35.6-179.600000113.1P362 G364 R370P362-A366 WeakPolarHBondContact O-CB 3.48Å; P362-A366 PolarHBondContact O-N 2.8Å; G364-A366 VanDerWaalsContact C-N 3.34Å; G364-A366 PolarHBondContact O-N 2.76Å; A366-R370 WeakPolarHBondContact O-CG 3.49Å; A366-R370 PolarHBondContact O-N 2.71Å
367V97.7Very high94.4Very high0 Ų039.6 Ų39.60%021%0.211CC..Hα-helixtrans-73.7-37.8178.373.20000112.2E363 G364 R365 R370 W371 F383 Y387 R436 A439 L440E363-V367 PolarHBondContact O-N 2.92Å; G364-V367 WeakPolarHBondContact O-CG1 3.49Å; G364-V367 PolarHBondContact O-N 3.19Å; R365-V367 VanDerWaalsContact C-N 3.3Å; R365-V367 PolarHBondContact O-N 2.98Å; V367-R370 PolarHBondContact O-N 3.25Å; V367-W371 PolarHBondContact O-N 2.97Å; V367-F383 HydrophobicContact CG2-CE1 4.06Å; V367-F383 HydrophobicContact CG2-CZ 4.18Å; V367-Y387 HydrophobicContact CG2-CD1 4.25Å; V367-Y387 HydrophobicContact CG2-CE1 3.5Å; V367-Y387 HydrophobicContact CG2-CE2 4.07Å; V367-Y387 WeakPolarHBondContact CG2-OH 3.15Å; V367-R436 HydrophobicContact CB-CB 4.4Å; V367-R436 HydrophobicContact CB-CG 4.08Å; V367-R436 HydrophobicContact CG1-CB 3.84Å; V367-R436 HydrophobicContact CG1-CG 3.79Å; V367-A439 HydrophobicContact CG1-CB 4.26Å; V367-L440 HydrophobicContact CG1-CD2 4.43Å; V367-L440 HydrophobicContact CG1-CG 4.09Å; V367-L440 HydrophobicContact CG2-CD1 3.79Å; V367-L440 HydrophobicContact CG2-CD2 4.06Å; V367-L440 HydrophobicContact CG2-CG 3.96Å
368V98Very high94Very high0 Ų040.8 Ų40.80%023%0.225CC..Hα-helixtrans-64.9-43.3176.2175.80000110.5L348 L349 L352 M360 G364 R365 R370 W371 L372 A439 A443L348-V368 HydrophobicContact CD2-CG1 4.41Å; L349-V368 HydrophobicContact CD2-CB 4.25Å; L349-V368 HydrophobicContact CD2-CG1 3.78Å; L352-V368 HydrophobicContact CD1-CG1 4.38Å; M360-V368 HydrophobicContact CE-CB 4.34Å; M360-V368 HydrophobicContact CE-CG2 4.21Å; M360-V368 HydrophobicContact SD-CG2 4.13Å; G364-V368 WeakPolarHBondContact O-CG2 3.44Å; G364-V368 PolarHBondContact O-N 2.84Å; G364-V368 VanDerWaalsContact O-N 3.09Å; R365-V368 PolarHBondContact O-N 3.13Å; V368-R370 VanDerWaalsContact C-N 3.3Å; V368-R370 PolarHBondContact O-N 2.91Å; V368-W371 WeakPolarHBondContact O-CB 3.25Å; V368-W371 PolarHBondContact O-N 3.04Å; V368-W371 VanDerWaalsContact O-N 3.08Å; V368-L372 HydrophobicContact CG1-CD1 3.99Å; V368-L372 HydrophobicContact CG1-CG 4.27Å; V368-L372 WeakPolarHBondContact O-CG 3.47Å; V368-L372 PolarHBondContact O-N 3.25Å; V368-A439 HydrophobicContact CG2-CB 3.82Å; V368-A443 HydrophobicContact CG1-CB 3.99Å; V368-A443 HydrophobicContact CG2-CB 4.14Å
369I96.8Very high93.7Very high42 Ų4245.1 Ų45.122%0.21524%0.242CC..Hα-helixtrans-57.5-42.9174.3-72.2169.9000111.8L349 R365 W371 L372 R373L349-I369 HydrophobicContact CD1-CD1 4.26Å; L349-I369 HydrophobicContact CD1-CG1 3.83Å; L349-I369 HydrophobicContact CD2-CG1 4.02Å; R365-I369 HydrophobicContact CG-CD1 4.02Å; R365-I369 WeakPolarHBondContact O-CG1 3.33Å; R365-I369 PolarHBondContact O-N 3.34Å; I369-W371 VanDerWaalsContact C-N 3.33Å; I369-W371 PolarHBondContact O-N 2.9Å; I369-L372 PolarHBondContact O-N 3.09Å; I369-R373 WeakPolarHBondContact O-CG 3.48Å; I369-R373 PolarHBondContact O-N 3.36Å
370R95.6Very high93.4Very high112 Ų11246 Ų4642%0.42325%0.246SC..Hα-helixtrans-65.8-36.6176.6-73.3-170.2-58.1-126.93.1112.7A366 V367 V368 R373 F383 Y387A366-R370 WeakPolarHBondContact O-CG 3.49Å; A366-R370 PolarHBondContact O-N 2.71Å; V367-R370 PolarHBondContact O-N 3.25Å; V368-R370 VanDerWaalsContact C-N 3.3Å; V368-R370 PolarHBondContact O-N 2.91Å; R370-R373 PolarHBondContact O-N 2.93Å; R370-F383 HydrophobicContact CB-CE2 3.94Å; R370-F383 HydrophobicContact CB-CZ 3.72Å; R370-Y387 PolarHBondContact NH2-OH 2.95Å
371W95.8Very high93.2Very high1 Ų148 Ų480%0.00426%0.264CS..Hα-helixtrans-67.6-41.2175.3174.179.2000111.7L348 V367 V368 I369 R373 A374 E380 F383 L440 A443 R444 L447L348-W371 HydrophobicContact CD2-CZ3 3.99Å; V367-W371 PolarHBondContact O-N 2.97Å; V368-W371 WeakPolarHBondContact O-CB 3.25Å; V368-W371 PolarHBondContact O-N 3.04Å; V368-W371 VanDerWaalsContact O-N 3.08Å; I369-W371 VanDerWaalsContact C-N 3.33Å; I369-W371 PolarHBondContact O-N 2.9Å; W371-R373 PolarHBondContact O-N 3.01Å; W371-R373 VanDerWaalsContact O-N 3.11Å; W371-A374 WeakPolarHBondContact O-CB 3.39Å; W371-A374 PolarHBondContact O-N 3.08Å; W371-E380 HydrophobicContact CZ2-CG 3.72Å; W371-E380 VanDerWaalsContact CZ2-OE1 3.3Å; W371-E380 WeakPolarHBondContact CZ2-OE1 3.44Å; W371-F383 HydrophobicContact CB-CD1 3.91Å; W371-F383 HydrophobicContact CB-CE1 3.73Å; W371-F383 HydrophobicContact CB-CZ 4.34Å; W371-F383 AromaticContact CD1-CD1 3.75Å; W371-F383 HydrophobicContact CG-CD1 4.24Å; W371-F383 HydrophobicContact CG-CE1 4.49Å; W371-L440 HydrophobicContact CB-CD2 3.56Å; W371-L440 HydrophobicContact CG-CD2 3.81Å; W371-A443 HydrophobicContact CE3-CB 4.05Å; W371-A443 HydrophobicContact CH2-CB 4.41Å; W371-A443 HydrophobicContact CZ3-CB 3.87Å; W371-R444 HydrophobicContact CZ2-CB 4.38Å; W371-L447 HydrophobicContact CH2-CB 4.13Å; W371-L447 HydrophobicContact CH2-CD2 3.8Å; W371-L447 HydrophobicContact CH2-CG 4.47Å; W371-L447 HydrophobicContact CZ3-CB 4.4Å; W371-L447 HydrophobicContact CZ3-CD2 3.71Å
372L95.1Very high93.2Very high5 Ų550 Ų503%0.02628%0.281CS..Hα-helixtrans-61.1-21.4177-73.6169.9000113.6R318 V339 N345 L348 L349 V368 I369 A374 L447R318-L372 PolarHBondContact NH1-O 3.03Å; V339-L372 VanDerWaalsContact CG2-O 3.29Å; V339-L372 WeakPolarHBondContact CG2-O 3.26Å; N345-L372 HydrophobicContact CB-CD1 4.01Å; L348-L372 HydrophobicContact CD2-CD2 3.91Å; L349-L372 HydrophobicContact CD1-CD1 4.31Å; L349-L372 HydrophobicContact CD2-CD1 4.18Å; L349-L372 HydrophobicContact CG-CD1 4.04Å; V368-L372 HydrophobicContact CG1-CD1 3.99Å; V368-L372 HydrophobicContact CG1-CG 4.27Å; V368-L372 WeakPolarHBondContact O-CG 3.47Å; V368-L372 PolarHBondContact O-N 3.25Å; I369-L372 PolarHBondContact O-N 3.09Å; L372-A374 VanDerWaalsContact C-N 3.27Å; L372-A374 PolarHBondContact O-N 3.08Å; L372-L447 HydrophobicContact CD2-CD2 3.58Å
373R91.9Very high93.1Very high134 Ų13447 Ų4751%0.50626%0.257SS..THydrogen-bonded Turntrans-75.7-9.7173.6-69.7173.7171.8173.2-1.6114.1E340 I369 R370 W371 G375E340-R373 HydrophobicContact CG-CG 4.49Å; E340-R373 IonicContact OE1-CZ 3.72Å; E340-R373 IonicContact OE1-NE 2.9Å; E340-R373 PolarHBondContact OE1-NE 3.21Å; E340-R373 IonicContact OE1-NH2 3.68Å; E340-R373 PolarHBondContact OE1-NH2 2.92Å; I369-R373 WeakPolarHBondContact O-CG 3.48Å; I369-R373 PolarHBondContact O-N 3.36Å; R370-R373 PolarHBondContact O-N 2.93Å; W371-R373 PolarHBondContact O-N 3.01Å; W371-R373 VanDerWaalsContact O-N 3.11Å; R373-G375 PolarHBondContact O-N 3.3Å; R373-G375 VanDerWaalsContact O-N 3.16Å
374A89.8Confident93.1Very high8 Ų845 Ų457%0.06625%0.247CC..  trans-64.1115.3174.100000109.5V339 W371 L372 Q379 E380V339-A374 WeakPolarHBondContact CG2-O 3.39Å; W371-A374 WeakPolarHBondContact O-CB 3.39Å; W371-A374 PolarHBondContact O-N 3.08Å; L372-A374 VanDerWaalsContact C-N 3.27Å; L372-A374 PolarHBondContact O-N 3.08Å; A374-Q379 HydrophobicContact CB-CB 3.95Å; A374-E380 HydrophobicContact CB-CB 4.07Å
375G78.1Confident92.9Very high15 Ų1548.1 Ų48.116%0.15527%0.273CS..  trans-87.6-2.8-174.200000114.3R373R373-G375 PolarHBondContact O-N 3.3Å; R373-G375 VanDerWaalsContact O-N 3.16Å
376S85.9Confident92.8Very high36 Ų3653.8 Ų53.825%0.25229%0.294SS..SBendtrans-145.8159.2175.571.90000112A378 Q379 E380S376-A378 PolarHBondContact O-N 3.49Å; S376-Q379 PolarHBondContact O-N 2.76Å; S376-Q379 VanDerWaalsContact O-N 3.16Å; S376-Q379 WeakPolarHBondContact OG-CG 3.42Å; S376-Q379 PolarHBondContact OG-N 2.71Å; S376-E380 PolarHBondContact O-N 2.89Å
377L89.1Confident92.6Very high78 Ų7854 Ų5441%0.40829%0.286SS..Hα-helixtrans-58.9-36.2177.6-63.5176.3000112.3E380 A381 N449 E451L377-E380 WeakPolarHBondContact O-CB 3.35Å; L377-E380 PolarHBondContact O-N 3.34Å; L377-A381 WeakPolarHBondContact O-CB 3.5Å; L377-A381 PolarHBondContact O-N 3.32Å; L377-N449 HydrophobicContact CD2-CB 3.62Å; L377-E451 HydrophobicContact CD1-CG 4.2Å; L377-E451 HydrophobicContact CG-CG 4.3Å
378A90.9Very high92.4Very high75 Ų7563.4 Ų63.462%0.6232%0.322SS*.Hα-helixtrans-65.9-42.417700000112.4S376 E380 A382S376-A378 PolarHBondContact O-N 3.49Å; A378-E380 VanDerWaalsContact C-N 3.34Å; A378-A382 VanDerWaalsContact O-CB 3.32Å; A378-A382 WeakPolarHBondContact O-CB 3.49Å; A378-A382 PolarHBondContact O-N 3.44Å
379Q91.3Very high92.3Very high111 Ų11164.4 Ų64.452%0.51933%0.328SS..Hα-helixtrans-65.4-40.7176-72.8178.5-6.400111.3A374 S376 F383A374-Q379 HydrophobicContact CB-CB 3.95Å; S376-Q379 PolarHBondContact O-N 2.76Å; S376-Q379 VanDerWaalsContact O-N 3.16Å; S376-Q379 WeakPolarHBondContact OG-CG 3.42Å; S376-Q379 PolarHBondContact OG-N 2.71Å; Q379-F383 VanDerWaalsContact O-CB 3.3Å; Q379-F383 WeakPolarHBondContact O-CB 3.4Å; Q379-F383 PolarHBondContact O-N 3.32Å
380E91.8Very high92.2Very high17 Ų1766.2 Ų66.28%0.07934%0.338CS..Hα-helixtrans-60.5-50.8176.7-170.2-159.2135.600111.2W371 A374 S376 L377 A378 A382 F383 Y384 N449W371-E380 HydrophobicContact CZ2-CG 3.72Å; W371-E380 VanDerWaalsContact CZ2-OE1 3.3Å; W371-E380 WeakPolarHBondContact CZ2-OE1 3.44Å; A374-E380 HydrophobicContact CB-CB 4.07Å; S376-E380 PolarHBondContact O-N 2.89Å; L377-E380 WeakPolarHBondContact O-CB 3.35Å; L377-E380 PolarHBondContact O-N 3.34Å; A378-E380 VanDerWaalsContact C-N 3.34Å; E380-A382 PolarHBondContact O-N 2.88Å; E380-F383 PolarHBondContact O-N 3.1Å; E380-Y384 WeakPolarHBondContact O-CB 3.45Å; E380-Y384 PolarHBondContact O-N 3.27Å; E380-N449 PolarHBondContact OE2-ND2 3.49Å
381A92.5Very high92.2Very high52 Ų5264 Ų6443%0.4333%0.333SS..Hα-helixtrans-61.4-44.8178.900000111.9L377 F383 Y384 A385L377-A381 WeakPolarHBondContact O-CB 3.5Å; L377-A381 PolarHBondContact O-N 3.32Å; A381-F383 VanDerWaalsContact C-N 3.35Å; A381-F383 PolarHBondContact O-N 3.39Å; A381-Y384 PolarHBondContact O-N 2.99Å; A381-A385 WeakPolarHBondContact O-CB 3.37Å; A381-A385 PolarHBondContact O-N 3.25Å
382A94.3Very high92.3Very high65 Ų6571.5 Ų71.554%0.53737%0.368SS..Hα-helixtrans-63-40.8176.400000112A378 E380 R386A378-A382 VanDerWaalsContact O-CB 3.32Å; A378-A382 WeakPolarHBondContact O-CB 3.49Å; A378-A382 PolarHBondContact O-N 3.44Å; E380-A382 PolarHBondContact O-N 2.88Å; A382-R386 PolarHBondContact O-N 3.45Å; A382-R386 VanDerWaalsContact O-N 3.11Å
383F94.2Very high92.4Very high43 Ų4374.3 Ų74.319%0.18938%0.378CS..Hα-helixtrans-62.9-47.7175.5-170.1-79.3000110.8V367 R370 W371 Q379 E380 A381 R386 Y387 L440V367-F383 HydrophobicContact CG2-CE1 4.06Å; V367-F383 HydrophobicContact CG2-CZ 4.18Å; R370-F383 HydrophobicContact CB-CE2 3.94Å; R370-F383 HydrophobicContact CB-CZ 3.72Å; W371-F383 HydrophobicContact CB-CD1 3.91Å; W371-F383 HydrophobicContact CB-CE1 3.73Å; W371-F383 HydrophobicContact CB-CZ 4.34Å; W371-F383 AromaticContact CD1-CD1 3.75Å; W371-F383 HydrophobicContact CG-CD1 4.24Å; W371-F383 HydrophobicContact CG-CE1 4.49Å; Q379-F383 VanDerWaalsContact O-CB 3.3Å; Q379-F383 WeakPolarHBondContact O-CB 3.4Å; Q379-F383 PolarHBondContact O-N 3.32Å; E380-F383 PolarHBondContact O-N 3.1Å; A381-F383 VanDerWaalsContact C-N 3.35Å; A381-F383 PolarHBondContact O-N 3.39Å; F383-R386 WeakPolarHBondContact O-CB 3.31Å; F383-R386 PolarHBondContact O-N 3.48Å; F383-Y387 HydrophobicContact CD1-CD2 4.1Å; F383-Y387 AromaticContact CD1-CE2 3.92Å; F383-Y387 HydrophobicContact CD1-CE2 3.92Å; F383-Y387 AromaticContact CE1-CD2 3.86Å; F383-Y387 HydrophobicContact CE1-CD2 3.86Å; F383-Y387 AromaticContact CE1-CE2 3.33Å; F383-Y387 HydrophobicContact CE1-CE2 3.33Å; F383-Y387 HydrophobicContact CE2-CE2 4.22Å; F383-Y387 HydrophobicContact CZ-CD2 4.46Å; F383-Y387 AromaticContact CZ-CE2 3.52Å; F383-Y387 HydrophobicContact CZ-CE2 3.52Å; F383-Y387 WeakPolarHBondContact O-CD2 3.4Å; F383-L440 HydrophobicContact CD1-CD2 4.44Å; F383-L440 HydrophobicContact CE1-CD1 4.13Å; F383-L440 HydrophobicContact CE1-CD2 3.97Å
384Y93.7Very high92.7Very high16 Ų1667.9 Ų67.96%0.06335%0.354CS..Hα-helixtrans-61-46.3179.2-166-91.9000111.8E380 A381 R386 Y387 V389 L440 R444E380-Y384 WeakPolarHBondContact O-CB 3.45Å; E380-Y384 PolarHBondContact O-N 3.27Å; A381-Y384 PolarHBondContact O-N 2.99Å; Y384-R386 VanDerWaalsContact C-N 3.3Å; Y384-R386 PolarHBondContact O-N 3.29Å; Y384-Y387 PolarHBondContact O-N 3.05Å; Y384-V389 HydrophobicContact CD2-CG2 4.42Å; Y384-V389 HydrophobicContact CE1-CB 3.76Å; Y384-V389 HydrophobicContact CE1-CG1 4.32Å; Y384-V389 HydrophobicContact CE1-CG2 4.14Å; Y384-V389 HydrophobicContact CE2-CB 4.32Å; Y384-V389 HydrophobicContact CE2-CG1 4.45Å; Y384-V389 HydrophobicContact CE2-CG2 4.04Å; Y384-V389 VanDerWaalsContact OH-CG1 3.28Å; Y384-V389 WeakPolarHBondContact OH-CG1 3.42Å; Y384-L440 HydrophobicContact CD2-CB 4.35Å; Y384-L440 HydrophobicContact CE2-CB 4.2Å; Y384-R444 HydrophobicContact CD2-CB 4.48Å; Y384-R444 HydrophobicContact CE2-CB 4.02Å; Y384-R444 HydrophobicContact CE2-CG 4.46Å
385A93.9Very high93Very high66 Ų6669.3 Ų69.355%0.54536%0.36SS..Hα-helixtrans-58.9-38.3177.800000112.6A381 Y387 R388A381-A385 WeakPolarHBondContact O-CB 3.37Å; A381-A385 PolarHBondContact O-N 3.25Å; A385-Y387 VanDerWaalsContact C-N 3.25Å; A385-Y387 PolarHBondContact O-N 2.89Å; A385-R388 PolarHBondContact O-N 3.41Å
386R95Very high94Very high210 Ų21071 Ų7179%0.79237%0.373SS*.Hα-helixtrans-58.9-33.5178.5-177.9177.9176.1171.11.2113.3A382 F383 Y384 R388A382-R386 PolarHBondContact O-N 3.45Å; A382-R386 VanDerWaalsContact O-N 3.11Å; F383-R386 WeakPolarHBondContact O-CB 3.31Å; F383-R386 PolarHBondContact O-N 3.48Å; Y384-R386 VanDerWaalsContact C-N 3.3Å; Y384-R386 PolarHBondContact O-N 3.29Å; R386-R388 VanDerWaalsContact C-N 3.27Å; R386-R388 PolarHBondContact O-N 3.27Å
387Y93.9Very high94.5Very high47 Ų4771.1 Ų71.118%0.18437%0.37CS..Hα-helixtrans-80-10.6-179.9-78.9-99.3000113.3V367 R370 F383 Y384 A385 V389 R437 L440V367-Y387 HydrophobicContact CG2-CD1 4.25Å; V367-Y387 HydrophobicContact CG2-CE1 3.5Å; V367-Y387 HydrophobicContact CG2-CE2 4.07Å; V367-Y387 WeakPolarHBondContact CG2-OH 3.15Å; R370-Y387 PolarHBondContact NH2-OH 2.95Å; F383-Y387 HydrophobicContact CD1-CD2 4.1Å; F383-Y387 AromaticContact CD1-CE2 3.92Å; F383-Y387 HydrophobicContact CD1-CE2 3.92Å; F383-Y387 AromaticContact CE1-CD2 3.86Å; F383-Y387 HydrophobicContact CE1-CD2 3.86Å; F383-Y387 AromaticContact CE1-CE2 3.33Å; F383-Y387 HydrophobicContact CE1-CE2 3.33Å; F383-Y387 HydrophobicContact CE2-CE2 4.22Å; F383-Y387 HydrophobicContact CZ-CD2 4.46Å; F383-Y387 AromaticContact CZ-CE2 3.52Å; F383-Y387 HydrophobicContact CZ-CE2 3.52Å; F383-Y387 WeakPolarHBondContact O-CD2 3.4Å; Y384-Y387 PolarHBondContact O-N 3.05Å; A385-Y387 VanDerWaalsContact C-N 3.25Å; A385-Y387 PolarHBondContact O-N 2.89Å; Y387-V389 VanDerWaalsContact C-N 3.34Å; Y387-V389 PolarHBondContact O-N 2.83Å; Y387-R437 PolarHBondContact O-NE 3.09Å; Y387-R437 PolarHBondContact O-NH2 3.34Å; Y387-R437 VanDerWaalsContact O-NH2 3.13Å; Y387-L440 HydrophobicContact CD1-CD1 3.85Å; Y387-L440 HydrophobicContact CD2-CD1 3.69Å; Y387-L440 HydrophobicContact CE1-CD1 4.39Å; Y387-L440 HydrophobicContact CE2-CD1 4.24Å; Y387-L440 HydrophobicContact CG-CD1 3.47Å; Y387-L440 VanDerWaalsContact CG-CD1 3.47Å
388R94Very high94.9Very high198 Ų19867.4 Ų67.475%0.74735%0.351SS*.THydrogen-bonded Turntrans47.359.1-175.6-57.4-177.7-176-1770.1109.9A385 R386 D390 R437A385-R388 PolarHBondContact O-N 3.41Å; R386-R388 VanDerWaalsContact C-N 3.27Å; R386-R388 PolarHBondContact O-N 3.27Å; R388-D390 PolarHBondContact O-N 3.39Å; R388-R437 PolarHBondContact O-NE 2.85Å; R388-R437 PolarHBondContact O-NH2 3.1Å
389V94.5Very high95.1Very high21 Ų2170.2 Ų70.213%0.12735%0.346CS..  trans-70.5125177.4-176.60000107.5Y384 Y387 R437 L440 F441Y384-V389 HydrophobicContact CD2-CG2 4.42Å; Y384-V389 HydrophobicContact CE1-CB 3.76Å; Y384-V389 HydrophobicContact CE1-CG1 4.32Å; Y384-V389 HydrophobicContact CE1-CG2 4.14Å; Y384-V389 HydrophobicContact CE2-CB 4.32Å; Y384-V389 HydrophobicContact CE2-CG1 4.45Å; Y384-V389 HydrophobicContact CE2-CG2 4.04Å; Y384-V389 VanDerWaalsContact OH-CG1 3.28Å; Y384-V389 WeakPolarHBondContact OH-CG1 3.42Å; Y387-V389 VanDerWaalsContact C-N 3.34Å; Y387-V389 PolarHBondContact O-N 2.83Å; V389-R437 HydrophobicContact CG1-CB 4.49Å; V389-R437 HydrophobicContact CG2-CB 4.33Å; V389-R437 HydrophobicContact CG2-CG 4.35Å; V389-L440 HydrophobicContact CG2-CB 4.3Å; V389-L440 HydrophobicContact CG2-CD1 4.47Å; V389-F441 HydrophobicContact CG1-CB 3.96Å
390D95.3Very high95.3Very high80 Ų8067.8 Ų67.843%0.42834%0.341SS..  trans-93.4102.5176-180-20.5000107.2R388 E392 W393 C394R388-D390 PolarHBondContact O-N 3.39Å; D390-E392 PolarHBondContact OD1-N 3.01Å; D390-W393 HydrophobicContact CB-CB 3.91Å; D390-W393 VanDerWaalsContact CG-CB 3.41Å; D390-W393 PolarHBondContact OD1-N 3.07Å; D390-C394 PolarHBondContact O-N 3.26Å; D390-C394 VanDerWaalsContact O-N 3.09Å; D390-C394 PolarHBondContact O-SG 3.05Å
391E95.8Very high95.5Very high66 Ų6668.9 Ų68.931%0.30834%0.344SS..Hα-helixtrans-66.7-36.9-176-66.3-156.2-156.700111.8C394 L395 F441 R444 K445E391-C394 PolarHBondContact O-N 3.04Å; E391-L395 WeakPolarHBondContact O-CB 3.16Å; E391-L395 WeakPolarHBondContact O-CG 3.39Å; E391-L395 PolarHBondContact O-N 3.49Å; E391-F441 HydrophobicContact CB-CD2 4.28Å; E391-F441 HydrophobicContact CB-CE2 3.89Å; E391-F441 HydrophobicContact CG-CD2 3.96Å; E391-F441 HydrophobicContact CG-CE2 3.92Å; E391-R444 IonicContact OE1-NH1 3.39Å; E391-R444 PolarHBondContact OE1-NH1 2.69Å; E391-K445 IonicContact OE2-NZ 2.77Å; E391-K445 PolarHBondContact OE2-NZ 3.39Å
392E96.9Very high95.5Very high159 Ų15969.6 Ų69.674%0.74334%0.336SS*.Hα-helixtrans-65.3-45.1178.5-67.3-175.8173.900110.9D390 C394 L395 A396D390-E392 PolarHBondContact OD1-N 3.01Å; E392-C394 VanDerWaalsContact C-N 3.33Å; E392-C394 PolarHBondContact O-N 3.2Å; E392-L395 PolarHBondContact O-N 3.42Å; E392-A396 VanDerWaalsContact O-CB 3.3Å; E392-A396 WeakPolarHBondContact O-CB 3.41Å; E392-A396 PolarHBondContact O-N 3.29Å
393W97.1Very high95.4Very high63 Ų6368.4 Ų68.424%0.23933%0.326CS..Hα-helixtrans-60.6-42173.9171.475.8000112D390 L397 L430 R434 L438D390-W393 HydrophobicContact CB-CB 3.91Å; D390-W393 VanDerWaalsContact CG-CB 3.41Å; D390-W393 PolarHBondContact OD1-N 3.07Å; W393-L397 HydrophobicContact CH2-CD2 3.93Å; W393-L397 HydrophobicContact CZ2-CD2 3.78Å; W393-L397 VanDerWaalsContact O-CB 3.29Å; W393-L397 WeakPolarHBondContact O-CB 3.31Å; W393-L397 PolarHBondContact O-N 2.87Å; W393-L430 HydrophobicContact CH2-CD1 4.22Å; W393-L430 HydrophobicContact CZ2-CD1 4.41Å; W393-R434 HydrophobicContact CH2-CB 3.78Å; W393-R434 HydrophobicContact CH2-CG 3.95Å; W393-R434 HydrophobicContact CZ2-CB 4.2Å; W393-R434 HydrophobicContact CZ2-CG 4.01Å; W393-L438 HydrophobicContact CZ3-CB 4.47Å
394C97.9Very high95.2Very high0 Ų071.8 Ų71.80%034%0.338CS..Hα-helixtrans-62.6-46.6177.9-66.80000111.3D390 E391 E392 L397 L398 L438 F441D390-C394 PolarHBondContact O-N 3.26Å; D390-C394 VanDerWaalsContact O-N 3.09Å; D390-C394 PolarHBondContact O-SG 3.05Å; E391-C394 PolarHBondContact O-N 3.04Å; E392-C394 VanDerWaalsContact C-N 3.33Å; E392-C394 PolarHBondContact O-N 3.2Å; C394-L397 PolarHBondContact O-N 3.5Å; C394-L398 WeakPolarHBondContact O-CB 3.3Å; C394-L398 VanDerWaalsContact O-CG 3.27Å; C394-L398 WeakPolarHBondContact O-CG 3.39Å; C394-L398 PolarHBondContact O-N 3Å; C394-L438 HydrophobicContact CB-CD1 3.98Å; C394-F441 HydrophobicContact CB-CB 4.2Å; C394-F441 HydrophobicContact CB-CD1 3.64Å; C394-F441 HydrophobicContact CB-CD2 3.81Å; C394-F441 HydrophobicContact CB-CE1 3.89Å; C394-F441 HydrophobicContact CB-CE2 4.03Å; C394-F441 HydrophobicContact CB-CG 3.6Å; C394-F441 HydrophobicContact CB-CZ 4.07Å
395L97.5Very high95Very high38 Ų3871.9 Ų71.920%0.19934%0.341CS..Hα-helixtrans-63.3-46.7177.9-73.6170.5000111.8E391 E392 L397 L398 R399 F441 W467 L469E391-L395 WeakPolarHBondContact O-CB 3.16Å; E391-L395 WeakPolarHBondContact O-CG 3.39Å; E391-L395 PolarHBondContact O-N 3.49Å; E392-L395 PolarHBondContact O-N 3.42Å; L395-L397 VanDerWaalsContact C-N 3.32Å; L395-L397 PolarHBondContact O-N 3.25Å; L395-L398 PolarHBondContact O-N 3.1Å; L395-R399 WeakPolarHBondContact O-CB 3.32Å; L395-R399 WeakPolarHBondContact O-CG 3.41Å; L395-R399 PolarHBondContact O-N 3.41Å; L395-F441 HydrophobicContact CD2-CE1 4.4Å; L395-F441 HydrophobicContact CD2-CZ 3.74Å; L395-F441 HydrophobicContact CG-CE2 4.43Å; L395-F441 HydrophobicContact CG-CZ 3.8Å; L395-W467 HydrophobicContact CD2-CZ3 4.08Å; L395-L469 HydrophobicContact CD2-CD1 4.04Å
396A97.4Very high94.7Very high51 Ų5172.2 Ų72.242%0.42133%0.331SS..Hα-helixtrans-60.4-42.6178.500000111.6E392 S400E392-A396 VanDerWaalsContact O-CB 3.3Å; E392-A396 WeakPolarHBondContact O-CB 3.41Å; E392-A396 PolarHBondContact O-N 3.29Å; A396-S400 VanDerWaalsContact O-CB 3.28Å; A396-S400 WeakPolarHBondContact O-CB 3.42Å; A396-S400 PolarHBondContact O-N 3Å; A396-S400 PolarHBondContact O-OG 3.13Å
397L97.7Very high94.3Very high37 Ų3769.8 Ų69.819%0.19433%0.328CS..Hα-helixtrans-62.5-46.7176.5176.365.7000111.9W393 C394 L395 S400 Y401 V426 L430 L438W393-L397 HydrophobicContact CH2-CD2 3.93Å; W393-L397 HydrophobicContact CZ2-CD2 3.78Å; W393-L397 VanDerWaalsContact O-CB 3.29Å; W393-L397 WeakPolarHBondContact O-CB 3.31Å; W393-L397 PolarHBondContact O-N 2.87Å; C394-L397 PolarHBondContact O-N 3.5Å; L395-L397 VanDerWaalsContact C-N 3.32Å; L395-L397 PolarHBondContact O-N 3.25Å; L397-S400 PolarHBondContact O-N 2.91Å; L397-Y401 WeakPolarHBondContact O-CB 3.22Å; L397-Y401 PolarHBondContact O-N 3.46Å; L397-V426 HydrophobicContact CD2-CG2 4.24Å; L397-V426 HydrophobicContact CG-CG2 4.11Å; L397-L430 HydrophobicContact CD2-CD1 3.82Å; L397-L438 HydrophobicContact CD2-CD2 3.87Å
398L97.1Very high93.8Very high1 Ų174.8 Ų74.81%0.00535%0.353CS..Hα-helixtrans-66-44.3-179.7-71.4168.5000111.4Y356 C394 L395 Y401 R402 W424 V426 L438 F441 L442 W467 L469Y356-L398 HydrophobicContact CE1-CD2 4.44Å; C394-L398 WeakPolarHBondContact O-CB 3.3Å; C394-L398 VanDerWaalsContact O-CG 3.27Å; C394-L398 WeakPolarHBondContact O-CG 3.39Å; C394-L398 PolarHBondContact O-N 3Å; L395-L398 PolarHBondContact O-N 3.1Å; L398-Y401 PolarHBondContact O-N 3.48Å; L398-R402 WeakPolarHBondContact O-CB 3.35Å; L398-R402 PolarHBondContact O-N 2.91Å; L398-W424 HydrophobicContact CD2-CE3 4.45Å; L398-W424 HydrophobicContact CD2-CZ3 4.41Å; L398-V426 HydrophobicContact CD2-CG1 4.06Å; L398-V426 HydrophobicContact CD2-CG2 4.25Å; L398-L438 HydrophobicContact CD1-CD1 4.21Å; L398-L438 HydrophobicContact CD2-CD1 4.45Å; L398-L438 HydrophobicContact CG-CD1 4.26Å; L398-F441 HydrophobicContact CD1-CD1 4.21Å; L398-F441 HydrophobicContact CD1-CE1 3.77Å; L398-L442 HydrophobicContact CD1-CD2 3.93Å; L398-W467 HydrophobicContact CD1-CH2 4.07Å; L398-L469 HydrophobicContact CB-CD1 3.63Å; L398-L469 HydrophobicContact CB-CD2 3.75Å; L398-L469 HydrophobicContact CB-CG 4.35Å; L398-L469 HydrophobicContact CD1-CD1 4.31Å
399R95.9Very high93.1Very high134 Ų13467.8 Ų67.851%0.50633%0.331SS..Hα-helixtrans-62-43.6175.6-72.6176.5-176.5154.40.8112L395 Y401 R402 A403 L469L395-R399 WeakPolarHBondContact O-CB 3.32Å; L395-R399 WeakPolarHBondContact O-CG 3.41Å; L395-R399 PolarHBondContact O-N 3.41Å; R399-Y401 VanDerWaalsContact C-N 3.29Å; R399-Y401 PolarHBondContact O-N 3.01Å; R399-R402 PolarHBondContact O-N 3.32Å; R399-A403 WeakPolarHBondContact O-CB 3.36Å; R399-A403 PolarHBondContact O-N 3.21Å; R399-L469 HydrophobicContact CG-CD1 3.9Å; R399-L469 HydrophobicContact CG-CG 4.04Å; R399-L469 PolarHBondContact NE-OXT 3.28Å
400S95.3Very high91.6Very high60 Ų6075.2 Ų75.242%0.4236%0.364SS..Hα-helixtrans-64.7-35176.6-56.60000112A396 L397 R404A396-S400 VanDerWaalsContact O-CB 3.28Å; A396-S400 WeakPolarHBondContact O-CB 3.42Å; A396-S400 PolarHBondContact O-N 3Å; A396-S400 PolarHBondContact O-OG 3.13Å; L397-S400 PolarHBondContact O-N 2.91Å; S400-R404 WeakPolarHBondContact O-CG 3.3Å; S400-R404 PolarHBondContact O-N 2.66Å; S400-R404 PolarHBondContact O-NH1 2.8Å
401Y95.1Very high90.1Very high40 Ų4073.8 Ų73.816%0.15737%0.368CS..Hα-helixtrans-67.9-48.3174.7-173.3-88000111L397 L398 R399 A403 R404 C405 W424 L425 V426L397-Y401 WeakPolarHBondContact O-CB 3.22Å; L397-Y401 PolarHBondContact O-N 3.46Å; L398-Y401 PolarHBondContact O-N 3.48Å; R399-Y401 VanDerWaalsContact C-N 3.29Å; R399-Y401 PolarHBondContact O-N 3.01Å; Y401-A403 PolarHBondContact O-N 3.22Å; Y401-R404 PolarHBondContact O-N 3.36Å; Y401-C405 WeakPolarHBondContact CE1-SG 3.45Å; Y401-C405 PolarHBondContact O-N 3.37Å; Y401-C405 PolarHBondContact O-SG 2.98Å; Y401-W424 HydrophobicContact CD1-CB 4.25Å; Y401-W424 AromaticContact CD1-CD2 3.96Å; Y401-W424 HydrophobicContact CD1-CD2 3.96Å; Y401-W424 AromaticContact CD1-CE3 3.81Å; Y401-W424 HydrophobicContact CD1-CE3 3.81Å; Y401-W424 HydrophobicContact CD1-CG 4.15Å; Y401-W424 HydrophobicContact CE1-CB 3.61Å; Y401-W424 AromaticContact CE1-CD2 3.98Å; Y401-W424 HydrophobicContact CE1-CD2 3.98Å; Y401-W424 HydrophobicContact CE1-CE3 4.27Å; Y401-W424 AromaticContact CE1-CG 3.68Å; Y401-W424 HydrophobicContact CE1-CG 3.68Å; Y401-L425 PolarHBondContact OH-N 3.12Å; Y401-V426 HydrophobicContact CD1-CB 4.09Å; Y401-V426 HydrophobicContact CD2-CB 3.74Å; Y401-V426 HydrophobicContact CD2-CG2 4.09Å; Y401-V426 HydrophobicContact CE1-CB 4.35Å; Y401-V426 HydrophobicContact CE2-CB 4.06Å; Y401-V426 HydrophobicContact CG-CB 3.79Å; Y401-V426 HydrophobicContact CG-CG2 4.1Å
402R92.8Very high88.1Confident66 Ų6679.3 Ų79.325%0.24939%0.394CS..Hα-helixtrans-56.3-49.8177.3-178.4179.8174.5171.36.9112L398 R399 R404 C405 E406 P420 W424 L469L398-R402 WeakPolarHBondContact O-CB 3.35Å; L398-R402 PolarHBondContact O-N 2.91Å; R399-R402 PolarHBondContact O-N 3.32Å; R402-R404 VanDerWaalsContact C-N 3.32Å; R402-R404 PolarHBondContact O-N 3.13Å; R402-C405 PolarHBondContact O-N 3.47Å; R402-C405 VanDerWaalsContact O-N 3.13Å; R402-E406 HydrophobicContact CG-CG 4.4Å; R402-E406 WeakPolarHBondContact CG-OE1 3.39Å; R402-E406 IonicContact CZ-OE1 3.09Å; R402-E406 IonicContact NE-OE1 3.35Å; R402-E406 PolarHBondContact NE-OE1 3.44Å; R402-E406 IonicContact NH2-OE1 3.5Å; R402-E406 PolarHBondContact NH2-OE1 3.36Å; R402-E406 WeakPolarHBondContact O-CG 3.36Å; R402-E406 PolarHBondContact O-N 2.98Å; R402-P420 HydrophobicContact CG-CG 4.01Å; R402-W424 HydrophobicContact CB-CH2 3.79Å; R402-W424 HydrophobicContact CB-CZ2 4.39Å; R402-W424 HydrophobicContact CB-CZ3 4.27Å; R402-W424 HydrophobicContact CG-CH2 4.01Å; R402-W424 HydrophobicContact CG-CZ2 4.31Å; R402-L469 HydrophobicContact CB-CD2 4.23Å; R402-L469 PolarHBondContact NH1-O 3.19Å
403A91.6Very high86Confident40 Ų4079 Ų7933%0.33139%0.393SS..Hα-helixtrans-58.8-42.2179.700000112.2R399 Y401 E406 E407R399-A403 WeakPolarHBondContact O-CB 3.36Å; R399-A403 PolarHBondContact O-N 3.21Å; Y401-A403 PolarHBondContact O-N 3.22Å; A403-E406 PolarHBondContact O-N 3.26Å; A403-E407 WeakPolarHBondContact O-CG 3.2Å; A403-E407 PolarHBondContact O-N 3.17Å
404R91.4Very high83.9Confident114 Ų11477.1 Ų77.143%0.4339%0.39SS..Hα-helixtrans-63.8-42174.8-73.2-167-52.2-87-3.5112.6S400 Y401 R402 E406 E407 E408S400-R404 WeakPolarHBondContact O-CG 3.3Å; S400-R404 PolarHBondContact O-N 2.66Å; S400-R404 PolarHBondContact O-NH1 2.8Å; Y401-R404 PolarHBondContact O-N 3.36Å; R402-R404 VanDerWaalsContact C-N 3.32Å; R402-R404 PolarHBondContact O-N 3.13Å; R404-E406 VanDerWaalsContact C-N 3.3Å; R404-E406 PolarHBondContact O-N 3.07Å; R404-E407 PolarHBondContact O-N 3.46Å; R404-E408 WeakPolarHBondContact O-CB 3.37Å; R404-E408 WeakPolarHBondContact O-CG 3.31Å; R404-E408 PolarHBondContact O-N 2.74Å
405C89.6Confident82Confident19 Ų1984.5 Ų84.513%0.12843%0.425CS..Hα-helixtrans-64.2-37.8175.8-67.30000111.8Y401 R402 E407 E408 L409 P420Y401-C405 WeakPolarHBondContact CE1-SG 3.45Å; Y401-C405 PolarHBondContact O-N 3.37Å; Y401-C405 PolarHBondContact O-SG 2.98Å; R402-C405 PolarHBondContact O-N 3.47Å; R402-C405 VanDerWaalsContact O-N 3.13Å; C405-E407 VanDerWaalsContact C-N 3.33Å; C405-E408 PolarHBondContact O-N 3Å; C405-L409 WeakPolarHBondContact O-CB 3.37Å; C405-L409 WeakPolarHBondContact O-CD1 3.37Å; C405-L409 WeakPolarHBondContact O-CG 3.39Å; C405-L409 PolarHBondContact O-N 3.21Å; C405-P420 HydrophobicContact CB-CB 3.92Å; C405-P420 HydrophobicContact CB-CG 4.04Å
406E87.4Confident80.7Confident73 Ų7384.2 Ų84.234%0.34143%0.431SS..Hα-helixtrans-67.2-32.7175.3-71.7170.4172.400112.2R402 A403 R404 P420R402-E406 HydrophobicContact CG-CG 4.4Å; R402-E406 WeakPolarHBondContact CG-OE1 3.39Å; R402-E406 IonicContact CZ-OE1 3.09Å; R402-E406 IonicContact NE-OE1 3.35Å; R402-E406 PolarHBondContact NE-OE1 3.44Å; R402-E406 IonicContact NH2-OE1 3.5Å; R402-E406 PolarHBondContact NH2-OE1 3.36Å; R402-E406 WeakPolarHBondContact O-CG 3.36Å; R402-E406 PolarHBondContact O-N 2.98Å; A403-E406 PolarHBondContact O-N 3.26Å; R404-E406 VanDerWaalsContact C-N 3.3Å; R404-E406 PolarHBondContact O-N 3.07Å; E406-P420 HydrophobicContact CG-CG 4.2Å
407E86Confident79.8Confident158 Ų15886.1 Ų86.174%0.73844%0.439SS*.Hα-helixtrans-73.3-36172.9-73.5171.4-17400113A403 R404 C405A403-E407 WeakPolarHBondContact O-CG 3.2Å; A403-E407 PolarHBondContact O-N 3.17Å; R404-E407 PolarHBondContact O-N 3.46Å; C405-E407 VanDerWaalsContact C-N 3.33Å
408E84.2Confident79.4Confident152 Ų15286.4 Ų86.471%0.7144%0.439SS*.Hα-helixtrans-76.1-25.4179.6-74.8172.6-173.500113.1R404 C405R404-E408 WeakPolarHBondContact O-CB 3.37Å; R404-E408 WeakPolarHBondContact O-CG 3.31Å; R404-E408 PolarHBondContact O-N 2.74Å; C405-E408 PolarHBondContact O-N 3Å
409L79.3Confident78.8Confident51 Ų5187 Ų8727%0.26745%0.445SS..  trans-84.4121.1176.8-69.7165.6000109.9C405 E413 A414 P420C405-L409 WeakPolarHBondContact O-CB 3.37Å; C405-L409 WeakPolarHBondContact O-CD1 3.37Å; C405-L409 WeakPolarHBondContact O-CG 3.39Å; C405-L409 PolarHBondContact O-N 3.21Å; L409-E413 HydrophobicContact CD2-CB 4.26Å; L409-A414 HydrophobicContact CB-CB 3.69Å; L409-A414 WeakPolarHBondContact O-CB 3.45Å; L409-P420 HydrophobicContact CD1-CB 3.78Å
410E63.1Low78.4Confident178 Ų17881 Ų8183%0.83242%0.424SS*.  trans-99.3140.2171-66-175.3171.500110.6
411G63.3Low78Confident50 Ų5081.6 Ų81.652%0.51543%0.432SS..G310 helixtrans82.8-150.6171.100000116.2E413 A414G411-E413 VanDerWaalsContact C-N 3.27Å; G411-E413 PolarHBondContact O-N 3.2Å; G411-A414 WeakPolarHBondContact O-CB 3.4Å; G411-A414 PolarHBondContact O-N 3.48Å
412E53.8Low77.9Confident182 Ų18281.4 Ų81.485%0.8543%0.432SS*.G310 helixtrans-63.7-24.8-173.7-71.7-169.9157.600113.8A414 Q415E412-A414 VanDerWaalsContact C-N 3.3Å; E412-A414 PolarHBondContact O-N 3.4Å; E412-Q415 PolarHBondContact O-N 2.83Å
413E52.6Low78.1Confident153 Ų15381.8 Ų81.872%0.71544%0.443SS*.G310 helixtrans-69.9-25.3177.5-68.9-172.9166.400113L409 G411 Q415L409-E413 HydrophobicContact CD2-CB 4.26Å; G411-E413 VanDerWaalsContact C-N 3.27Å; G411-E413 PolarHBondContact O-N 3.2Å; E413-Q415 VanDerWaalsContact C-N 3.27Å; E413-Q415 PolarHBondContact O-N 2.84Å
414A53.4Low78.2Confident23 Ų2380.6 Ų80.619%0.1943%0.43CS..G310 helixtrans-75.3-15.9174.200000113.1L409 G411 E412L409-A414 HydrophobicContact CB-CB 3.69Å; L409-A414 WeakPolarHBondContact O-CB 3.45Å; G411-A414 WeakPolarHBondContact O-CB 3.4Å; G411-A414 PolarHBondContact O-N 3.48Å; E412-A414 VanDerWaalsContact C-N 3.3Å; E412-A414 PolarHBondContact O-N 3.4Å
415Q56.8Low78.5Confident155 Ų15578.7 Ų78.772%0.72443%0.429SS*.G310 helixtrans-116.519.5-165.6-71.7169.51.600113.8E412 E413E412-Q415 PolarHBondContact O-N 2.83Å; E413-Q415 VanDerWaalsContact C-N 3.27Å; E413-Q415 PolarHBondContact O-N 2.84Å
416G70.1Confident78.7Confident31 Ų3178 Ų7832%0.3242%0.423SS..  trans-51.8148.4168.600000111H418 G419G416-H418 PolarHBondContact O-N 2.64Å; G416-G419 PolarHBondContact O-N 2.63Å
417P80.1Confident79Confident92 Ų9274.8 Ų74.860%0.59741%0.41SS*.THydrogen-bonded Turntrans-59.8-13-172.522.7-33.1000114.2G262G262-P417 VanDerWaalsContact CA-CG 3.48Å
418H87.8Confident79.4Confident42 Ų4273.5 Ų73.519%0.19440%0.404CS..THydrogen-bonded Turntrans-12310.6-179.7-56.5-60.9000114.1P261 L263 G312 G416P261-H418 PolarHBondContact O-CD2 2.92Å; P261-H418 PolarHBondContact O-NE2 2.89Å; P261-H418 VanDerWaalsContact O-NE2 3.12Å; L263-H418 PolarHBondContact O-CE1 3.16Å; L263-H418 PolarHBondContact O-NE2 3.35Å; G312-H418 VanDerWaalsContact CA-CG 3.45Å; G416-H418 PolarHBondContact O-N 2.64Å
419G85.3Confident79.7Confident13 Ų1370.6 Ų70.613%0.13442%0.415CS..SBendtrans84.5-155.8-176.400000113.4G416G416-G419 PolarHBondContact O-N 2.63Å
420P87.2Confident80.5Confident8 Ų869.6 Ų69.65%0.05241%0.409CS..SBendtrans-66.4135.7-170.725-32.4000111.8R402 C405 E406 L409 W424R402-P420 HydrophobicContact CG-CG 4.01Å; C405-P420 HydrophobicContact CB-CB 3.92Å; C405-P420 HydrophobicContact CB-CG 4.04Å; E406-P420 HydrophobicContact CG-CG 4.2Å; L409-P420 HydrophobicContact CD1-CB 3.78Å; P420-W424 HydrophobicContact CG-CZ2 3.84Å; P420-W424 PolarHBondContact O-NE1 3.49Å
421A88.1Confident82.1Confident73 Ų7364.2 Ų64.260%0.60339%0.392SS*.PPolyproline II helixtrans-61.9152.6-178.200000112.7W424A421-W424 PolarHBondContact O-NE1 3.32Å
422F92.6Very high83.6Confident36 Ų3663.7 Ų63.716%0.15838%0.38CS..SBendtrans-80.2155.6168-67.3-68.9000110.1P311 R355 Y356 W424P311-F422 WeakPolarHBondContact O-CE2 3.48Å; R355-F422 HydrophobicContact CB-CB 4.48Å; R355-F422 HydrophobicContact CB-CD1 3.57Å; R355-F422 HydrophobicContact CB-CE1 3.86Å; R355-F422 HydrophobicContact CB-CG 3.94Å; R355-F422 HydrophobicContact CB-CZ 4.45Å; R355-F422 HydrophobicContact CG-CB 4.14Å; R355-F422 HydrophobicContact CG-CD1 3.76Å; R355-F422 HydrophobicContact CG-CD2 3.78Å; R355-F422 HydrophobicContact CG-CE1 4.09Å; R355-F422 HydrophobicContact CG-CE2 4.11Å; R355-F422 HydrophobicContact CG-CG 3.6Å; R355-F422 HydrophobicContact CG-CZ 4.26Å; R355-F422 WeakPolarHBondContact O-CD1 3.42Å; Y356-F422 AromaticContact CE1-CE1 3.81Å; Y356-F422 HydrophobicContact CE1-CE1 3.81Å; Y356-F422 AromaticContact CZ-CE1 3.85Å; F422-W424 HydrophobicContact CD1-CB 4.37Å; F422-W424 AromaticContact CD1-CD1 3.61Å; F422-W424 HydrophobicContact CD1-CD2 4.23Å; F422-W424 AromaticContact CD1-CG 3.82Å; F422-W424 HydrophobicContact CD1-CG 3.82Å; F422-W424 AromaticContact CD1-NE1 3.82Å; F422-W424 AromaticContact CE1-CD1 3.95Å; F422-W424 AromaticContact CE1-CD2 3.81Å; F422-W424 HydrophobicContact CE1-CD2 3.81Å; F422-W424 AromaticContact CE1-CE2 3.78Å; F422-W424 HydrophobicContact CE1-CE3 4.42Å; F422-W424 AromaticContact CE1-CG 3.9Å; F422-W424 HydrophobicContact CE1-CG 3.9Å; F422-W424 HydrophobicContact CE1-CZ2 4.32Å; F422-W424 AromaticContact CE1-NE1 3.85Å
423P95.5Very high85.6Confident74 Ų7462 Ų6248%0.48137%0.366SS..PPolyproline II helixcis-79.5145.16.331.5-36.6000114.4H354 P357H354-P423 VanDerWaalsContact O-CB 3.25Å; H354-P423 WeakPolarHBondContact O-CB 3.49Å; P357-P423 HydrophobicContact CG-CB 3.9Å
424W95.4Very high87.6Confident15 Ų1560.8 Ų60.86%0.05736%0.355CS..PPolyproline II helixtrans-94.8125.2169.2-70.38.8000110.7R355 Y356 L398 Y401 R402 P420 A421 F422 V426 L469R355-W424 PolarHBondContact O-N 3.37Å; Y356-W424 HydrophobicContact CD1-CB 4.15Å; Y356-W424 HydrophobicContact CE1-CB 4.42Å; Y356-W424 HydrophobicContact CE1-CD2 4.41Å; Y356-W424 AromaticContact CE1-CE3 3.99Å; Y356-W424 HydrophobicContact CE1-CE3 3.99Å; L398-W424 HydrophobicContact CD2-CE3 4.45Å; L398-W424 HydrophobicContact CD2-CZ3 4.41Å; Y401-W424 HydrophobicContact CD1-CB 4.25Å; Y401-W424 AromaticContact CD1-CD2 3.96Å; Y401-W424 HydrophobicContact CD1-CD2 3.96Å; Y401-W424 AromaticContact CD1-CE3 3.81Å; Y401-W424 HydrophobicContact CD1-CE3 3.81Å; Y401-W424 HydrophobicContact CD1-CG 4.15Å; Y401-W424 HydrophobicContact CE1-CB 3.61Å; Y401-W424 AromaticContact CE1-CD2 3.98Å; Y401-W424 HydrophobicContact CE1-CD2 3.98Å; Y401-W424 HydrophobicContact CE1-CE3 4.27Å; Y401-W424 AromaticContact CE1-CG 3.68Å; Y401-W424 HydrophobicContact CE1-CG 3.68Å; R402-W424 HydrophobicContact CB-CH2 3.79Å; R402-W424 HydrophobicContact CB-CZ2 4.39Å; R402-W424 HydrophobicContact CB-CZ3 4.27Å; R402-W424 HydrophobicContact CG-CH2 4.01Å; R402-W424 HydrophobicContact CG-CZ2 4.31Å; P420-W424 HydrophobicContact CG-CZ2 3.84Å; P420-W424 PolarHBondContact O-NE1 3.49Å; A421-W424 PolarHBondContact O-NE1 3.32Å; F422-W424 HydrophobicContact CD1-CB 4.37Å; F422-W424 AromaticContact CD1-CD1 3.61Å; F422-W424 HydrophobicContact CD1-CD2 4.23Å; F422-W424 AromaticContact CD1-CG 3.82Å; F422-W424 HydrophobicContact CD1-CG 3.82Å; F422-W424 AromaticContact CD1-NE1 3.82Å; F422-W424 AromaticContact CE1-CD1 3.95Å; F422-W424 AromaticContact CE1-CD2 3.81Å; F422-W424 HydrophobicContact CE1-CD2 3.81Å; F422-W424 AromaticContact CE1-CE2 3.78Å; F422-W424 HydrophobicContact CE1-CE3 4.42Å; F422-W424 AromaticContact CE1-CG 3.9Å; F422-W424 HydrophobicContact CE1-CG 3.9Å; F422-W424 HydrophobicContact CE1-CZ2 4.32Å; F422-W424 AromaticContact CE1-NE1 3.85Å; W424-V426 HydrophobicContact CB-CG1 4.08Å; W424-V426 PolarHBondContact O-N 3.46Å; W424-L469 HydrophobicContact CH2-CD2 3.7Å; W424-L469 HydrophobicContact CZ3-CD2 3.71Å
425L96.1Very high89.7Confident75 Ų7561.6 Ų61.639%0.39335%0.353SS..  trans-83.316176.5-59.5177000112.8P357 Y401 G427 Q428P357-L425 HydrophobicContact CG-CD2 4.09Å; Y401-L425 PolarHBondContact OH-N 3.12Å; L425-G427 PolarHBondContact O-N 3.26Å; L425-Q428 HydrophobicContact CB-CG 4.31Å; L425-Q428 WeakPolarHBondContact O-CG 3.14Å; L425-Q428 PolarHBondContact O-N 2.91Å
426V95.3Very high91.6Very high3 Ų357.6 Ų57.62%0.01833%0.331CS..THydrogen-bonded Turntrans-52.4133.8169.466.70000109.3Y356 V359 L397 L398 Y401 W424 L438Y356-V426 HydrophobicContact CD1-CG1 3.81Å; Y356-V426 HydrophobicContact CE1-CG1 4.47Å; V359-V426 HydrophobicContact CG2-CG1 3.97Å; V359-V426 WeakPolarHBondContact CG2-O 3.35Å; L397-V426 HydrophobicContact CD2-CG2 4.24Å; L397-V426 HydrophobicContact CG-CG2 4.11Å; L398-V426 HydrophobicContact CD2-CG1 4.06Å; L398-V426 HydrophobicContact CD2-CG2 4.25Å; Y401-V426 HydrophobicContact CD1-CB 4.09Å; Y401-V426 HydrophobicContact CD2-CB 3.74Å; Y401-V426 HydrophobicContact CD2-CG2 4.09Å; Y401-V426 HydrophobicContact CE1-CB 4.35Å; Y401-V426 HydrophobicContact CE2-CB 4.06Å; Y401-V426 HydrophobicContact CG-CB 3.79Å; Y401-V426 HydrophobicContact CG-CG2 4.1Å; W424-V426 HydrophobicContact CB-CG1 4.08Å; W424-V426 PolarHBondContact O-N 3.46Å; V426-L438 HydrophobicContact CG2-CD2 4.29Å
427G93.5Very high92.9Very high6 Ų658.3 Ų58.36%0.06232%0.324CS..THydrogen-bonded Turntrans104.9-15.5-17400000114.9L425 G429 L430L425-G427 PolarHBondContact O-N 3.26Å; G427-G429 PolarHBondContact O-N 2.83Å; G427-L430 WeakPolarHBondContact O-CB 3.36Å; G427-L430 PolarHBondContact O-N 2.62Å; G427-L430 VanDerWaalsContact O-N 3.09Å
428Q93.8Very high93.8Very high132 Ų13253.9 Ų53.962%0.61730%0.296SS*.THydrogen-bonded Turntrans-57.7136.4167-74.4-175.2-2.700110.6A358 L425 L430A358-Q428 HydrophobicContact CB-CG 3.87Å; L425-Q428 HydrophobicContact CB-CG 4.31Å; L425-Q428 WeakPolarHBondContact O-CG 3.14Å; L425-Q428 PolarHBondContact O-N 2.91Å; Q428-L430 PolarHBondContact O-N 3.21Å; Q428-L430 VanDerWaalsContact O-N 3.15Å
429G91.6Very high94.3Very high90 Ų9051.9 Ų51.993%0.92829%0.286SS*.THydrogen-bonded Turntrans72.4-5.1-175.400000115.5G427G427-G429 PolarHBondContact O-N 2.83Å
430L95.5Very high94.9Very high30 Ų3051.3 Ų51.316%0.15728%0.28CS..  trans-77.8140175.2-62.9-171000111.7W393 L397 G427 Q428 R434 R435 L438W393-L430 HydrophobicContact CH2-CD1 4.22Å; W393-L430 HydrophobicContact CZ2-CD1 4.41Å; L397-L430 HydrophobicContact CD2-CD1 3.82Å; G427-L430 WeakPolarHBondContact O-CB 3.36Å; G427-L430 PolarHBondContact O-N 2.62Å; G427-L430 VanDerWaalsContact O-N 3.09Å; Q428-L430 PolarHBondContact O-N 3.21Å; Q428-L430 VanDerWaalsContact O-N 3.15Å; L430-R434 HydrophobicContact CB-CB 4.13Å; L430-R434 HydrophobicContact CD1-CB 4.27Å; L430-R435 HydrophobicContact CB-CG 3.8Å; L430-R435 PolarHBondContact O-NE 2.89Å; L430-L438 HydrophobicContact CD1-CD2 4.37Å
431S95.6Very high95.4Very high66 Ų6650.9 Ų50.946%0.46228%0.278SS..  trans-58.2151.4170.870.80000111.6R433 R434 R435S431-R433 PolarHBondContact O-N 3.42Å; S431-R434 PolarHBondContact O-N 2.92Å; S431-R434 PolarHBondContact OG-N 2.86Å; S431-R435 PolarHBondContact O-N 2.84Å
432S95.1Very high95.9Very high39 Ų3947.5 Ų47.527%0.27325%0.249SC..Hα-helixtrans-56.8-28.6-179.7-49.30000112.6E363 R435 R436E363-S432 WeakPolarHBondContact OE1-CB 3.5Å; E363-S432 PolarHBondContact OE1-OG 3.35Å; S432-R435 PolarHBondContact OG-NH2 3.04Å; S432-R435 VanDerWaalsContact OG-NH2 3.1Å; S432-R436 VanDerWaalsContact O-CG 3.31Å; S432-R436 WeakPolarHBondContact O-CG 3.47Å; S432-R436 PolarHBondContact O-N 3.13Å; S432-R436 VanDerWaalsContact O-N 3.09Å; S432-R436 PolarHBondContact O-NH1 3.41Å
433R95.6Very high96.2Very high145 Ų14545.8 Ų45.855%0.54724%0.242SC..Hα-helixtrans-66.7-44.7174.2-177.6178.5177.7176.7-0.5112.3S431 R437S431-R433 PolarHBondContact O-N 3.42Å; R433-R437 WeakPolarHBondContact O-CG 3.49Å; R433-R437 PolarHBondContact O-N 3.19Å
434R95.8Very high96.2Very high128 Ų12847.3 Ų47.348%0.48324%0.238SC..Hα-helixtrans-68.3-42.2178.1-79-177.8173.7174.2-1.2111.1W393 L430 S431 R436 R437 L438W393-R434 HydrophobicContact CH2-CB 3.78Å; W393-R434 HydrophobicContact CH2-CG 3.95Å; W393-R434 HydrophobicContact CZ2-CB 4.2Å; W393-R434 HydrophobicContact CZ2-CG 4.01Å; L430-R434 HydrophobicContact CB-CB 4.13Å; L430-R434 HydrophobicContact CD1-CB 4.27Å; S431-R434 PolarHBondContact O-N 2.92Å; S431-R434 PolarHBondContact OG-N 2.86Å; R434-R436 PolarHBondContact O-N 3.42Å; R434-R437 PolarHBondContact O-N 3.47Å; R434-L438 PolarHBondContact O-N 3.42Å
435R96.3Very high96.3Very high40 Ų4049.3 Ų49.315%0.15125%0.247CC..Hα-helixtrans-57.2-47.4174.2-71.2-170.5-83.9133.65.8112.1A358 E363 L430 S431 S432 R437 L438 A439A358-R435 WeakPolarHBondContact O-CD 3.23Å; E363-R435 IonicContact OE1-CZ 3.37Å; E363-R435 IonicContact OE1-NH1 3.64Å; E363-R435 IonicContact OE1-NH2 3.62Å; E363-R435 PolarHBondContact OE1-NH2 2.91Å; E363-R435 IonicContact OE2-CZ 3.51Å; E363-R435 IonicContact OE2-NH1 3.69Å; E363-R435 PolarHBondContact OE2-NH1 3.34Å; E363-R435 IonicContact OE2-NH2 2.77Å; L430-R435 HydrophobicContact CB-CG 3.8Å; L430-R435 PolarHBondContact O-NE 2.89Å; S431-R435 PolarHBondContact O-N 2.84Å; S432-R435 PolarHBondContact OG-NH2 3.04Å; S432-R435 VanDerWaalsContact OG-NH2 3.1Å; R435-R437 VanDerWaalsContact C-N 3.33Å; R435-R437 PolarHBondContact O-N 3.18Å; R435-L438 PolarHBondContact O-N 2.91Å; R435-A439 WeakPolarHBondContact O-CB 3.22Å; R435-A439 PolarHBondContact O-N 3Å
436R97.5Very high96.4Very high71 Ų7145.9 Ų45.927%0.26823%0.229SC..Hα-helixtrans-57.9-41175.7-76.7-171.2-61.6-92.86.5113.7E363 V367 S432 R434 L440E363-R436 HydrophobicContact CB-CG 4.26Å; E363-R436 WeakPolarHBondContact O-CG 3.44Å; V367-R436 HydrophobicContact CB-CB 4.4Å; V367-R436 HydrophobicContact CB-CG 4.08Å; V367-R436 HydrophobicContact CG1-CB 3.84Å; V367-R436 HydrophobicContact CG1-CG 3.79Å; S432-R436 VanDerWaalsContact O-CG 3.31Å; S432-R436 WeakPolarHBondContact O-CG 3.47Å; S432-R436 PolarHBondContact O-N 3.13Å; S432-R436 VanDerWaalsContact O-N 3.09Å; S432-R436 PolarHBondContact O-NH1 3.41Å; R434-R436 PolarHBondContact O-N 3.42Å; R436-L440 WeakPolarHBondContact O-CG 3.42Å; R436-L440 PolarHBondContact O-N 3.32Å; R436-L440 VanDerWaalsContact O-N 3.14Å
437R97.5Very high96.5Very high46 Ų4645.9 Ų45.917%0.17423%0.229CC..Hα-helixtrans-68.3-45.1179.4-73.1169.4168.2-169.4-14.4111.8Y387 R388 V389 R433 R434 R435 A439 L440 F441Y387-R437 PolarHBondContact O-NE 3.09Å; Y387-R437 PolarHBondContact O-NH2 3.34Å; Y387-R437 VanDerWaalsContact O-NH2 3.13Å; R388-R437 PolarHBondContact O-NE 2.85Å; R388-R437 PolarHBondContact O-NH2 3.1Å; V389-R437 HydrophobicContact CG1-CB 4.49Å; V389-R437 HydrophobicContact CG2-CB 4.33Å; V389-R437 HydrophobicContact CG2-CG 4.35Å; R433-R437 WeakPolarHBondContact O-CG 3.49Å; R433-R437 PolarHBondContact O-N 3.19Å; R434-R437 PolarHBondContact O-N 3.47Å; R435-R437 VanDerWaalsContact C-N 3.33Å; R435-R437 PolarHBondContact O-N 3.18Å; R437-A439 VanDerWaalsContact C-N 3.35Å; R437-L440 PolarHBondContact O-N 2.98Å; R437-F441 PolarHBondContact O-N 2.92Å
438L98.2Very high96.7Very high0 Ų047.7 Ų47.70%024%0.235CC..Hα-helixtrans-64.7-39.3177-17559.4000111.6V359 W393 C394 L397 L398 V426 L430 R434 R435 L440 F441 L442V359-L438 HydrophobicContact CG1-CB 4.06Å; V359-L438 HydrophobicContact CG1-CD2 4.25Å; V359-L438 HydrophobicContact CG1-CG 3.98Å; V359-L438 HydrophobicContact CG2-CD2 3.57Å; V359-L438 HydrophobicContact CG2-CG 4.12Å; W393-L438 HydrophobicContact CZ3-CB 4.47Å; C394-L438 HydrophobicContact CB-CD1 3.98Å; L397-L438 HydrophobicContact CD2-CD2 3.87Å; L398-L438 HydrophobicContact CD1-CD1 4.21Å; L398-L438 HydrophobicContact CD2-CD1 4.45Å; L398-L438 HydrophobicContact CG-CD1 4.26Å; V426-L438 HydrophobicContact CG2-CD2 4.29Å; L430-L438 HydrophobicContact CD1-CD2 4.37Å; R434-L438 PolarHBondContact O-N 3.42Å; R435-L438 PolarHBondContact O-N 2.91Å; L438-L440 PolarHBondContact O-N 3.3Å; L438-F441 HydrophobicContact CD1-CD1 4.33Å; L438-F441 WeakPolarHBondContact O-CB 3.32Å; L438-F441 PolarHBondContact O-N 3.44Å; L438-L442 HydrophobicContact CD1-CD1 4.36Å; L438-L442 HydrophobicContact CD1-CG 4.39Å; L438-L442 HydrophobicContact CG-CD1 4.1Å; L438-L442 WeakPolarHBondContact O-CG 3.38Å; L438-L442 PolarHBondContact O-N 3Å
439A98.4Very high96.7Very high0 Ų041.9 Ų41.90%021%0.208CC..Hα-helixtrans-59.8-45.5174.900000111.9V359 M360 V367 V368 R435 R437 L442 A443V359-A439 HydrophobicContact CG1-CB 3.76Å; M360-A439 HydrophobicContact SD-CB 4.14Å; V367-A439 HydrophobicContact CG1-CB 4.26Å; V368-A439 HydrophobicContact CG2-CB 3.82Å; R435-A439 WeakPolarHBondContact O-CB 3.22Å; R435-A439 PolarHBondContact O-N 3Å; R437-A439 VanDerWaalsContact C-N 3.35Å; A439-L442 PolarHBondContact O-N 3.49Å; A439-A443 WeakPolarHBondContact O-CB 3.4Å; A439-A443 PolarHBondContact O-N 3.12Å
440L98.3Very high96.9Very high0 Ų038.1 Ų38.10%017%0.167CC..Hα-helixtrans-65.8-39.7175.9-73.5175.1000112.7V367 W371 F383 Y384 Y387 V389 R436 R437 L438 A443 R444V367-L440 HydrophobicContact CG1-CD2 4.43Å; V367-L440 HydrophobicContact CG1-CG 4.09Å; V367-L440 HydrophobicContact CG2-CD1 3.79Å; V367-L440 HydrophobicContact CG2-CD2 4.06Å; V367-L440 HydrophobicContact CG2-CG 3.96Å; W371-L440 HydrophobicContact CB-CD2 3.56Å; W371-L440 HydrophobicContact CG-CD2 3.81Å; F383-L440 HydrophobicContact CD1-CD2 4.44Å; F383-L440 HydrophobicContact CE1-CD1 4.13Å; F383-L440 HydrophobicContact CE1-CD2 3.97Å; Y384-L440 HydrophobicContact CD2-CB 4.35Å; Y384-L440 HydrophobicContact CE2-CB 4.2Å; Y387-L440 HydrophobicContact CD1-CD1 3.85Å; Y387-L440 HydrophobicContact CD2-CD1 3.69Å; Y387-L440 HydrophobicContact CE1-CD1 4.39Å; Y387-L440 HydrophobicContact CE2-CD1 4.24Å; Y387-L440 HydrophobicContact CG-CD1 3.47Å; Y387-L440 VanDerWaalsContact CG-CD1 3.47Å; V389-L440 HydrophobicContact CG2-CB 4.3Å; V389-L440 HydrophobicContact CG2-CD1 4.47Å; R436-L440 WeakPolarHBondContact O-CG 3.42Å; R436-L440 PolarHBondContact O-N 3.32Å; R436-L440 VanDerWaalsContact O-N 3.14Å; R437-L440 PolarHBondContact O-N 2.98Å; L438-L440 PolarHBondContact O-N 3.3Å; L440-A443 PolarHBondContact O-N 2.96Å; L440-R444 WeakPolarHBondContact O-CB 3.42Å; L440-R444 PolarHBondContact O-N 2.96Å
441F98.3Very high96.7Very high0 Ų042 Ų420%018%0.184CC..Hα-helixtrans-57.3-53.8174.3175.1-95.8000111V389 E391 C394 L395 L398 R437 L438 A443 R444 K445 W467V389-F441 HydrophobicContact CG1-CB 3.96Å; E391-F441 HydrophobicContact CB-CD2 4.28Å; E391-F441 HydrophobicContact CB-CE2 3.89Å; E391-F441 HydrophobicContact CG-CD2 3.96Å; E391-F441 HydrophobicContact CG-CE2 3.92Å; C394-F441 HydrophobicContact CB-CB 4.2Å; C394-F441 HydrophobicContact CB-CD1 3.64Å; C394-F441 HydrophobicContact CB-CD2 3.81Å; C394-F441 HydrophobicContact CB-CE1 3.89Å; C394-F441 HydrophobicContact CB-CE2 4.03Å; C394-F441 HydrophobicContact CB-CG 3.6Å; C394-F441 HydrophobicContact CB-CZ 4.07Å; L395-F441 HydrophobicContact CD2-CE1 4.4Å; L395-F441 HydrophobicContact CD2-CZ 3.74Å; L395-F441 HydrophobicContact CG-CE2 4.43Å; L395-F441 HydrophobicContact CG-CZ 3.8Å; L398-F441 HydrophobicContact CD1-CD1 4.21Å; L398-F441 HydrophobicContact CD1-CE1 3.77Å; R437-F441 PolarHBondContact O-N 2.92Å; L438-F441 HydrophobicContact CD1-CD1 4.33Å; L438-F441 WeakPolarHBondContact O-CB 3.32Å; L438-F441 PolarHBondContact O-N 3.44Å; F441-A443 PolarHBondContact O-N 3.37Å; F441-R444 PolarHBondContact O-N 3.23Å; F441-K445 HydrophobicContact CD1-CG 4.31Å; F441-K445 HydrophobicContact CE1-CG 3.93Å; F441-K445 HydrophobicContact CE2-CD 4.39Å; F441-K445 HydrophobicContact CE2-CG 4.25Å; F441-K445 HydrophobicContact CZ-CD 4.21Å; F441-K445 HydrophobicContact CZ-CG 3.9Å; F441-K445 WeakPolarHBondContact O-CG 3.12Å; F441-K445 PolarHBondContact O-N 2.8Å; F441-W467 HydrophobicContact CE1-CH2 4.3Å
442L98.4Very high96.5Very high1 Ų139.5 Ų39.51%0.00517%0.168CC..Hα-helixtrans-62.4-41.2-179.9-69.1167000112L352 Y356 V359 L398 L438 A439 R444 K445 H446 W467L352-L442 HydrophobicContact CD2-CB 3.92Å; Y356-L442 HydrophobicContact CD1-CD1 4.06Å; Y356-L442 HydrophobicContact CD2-CD1 3.65Å; Y356-L442 HydrophobicContact CD2-CD2 4.39Å; Y356-L442 HydrophobicContact CD2-CG 4.47Å; Y356-L442 HydrophobicContact CE1-CD1 4.34Å; Y356-L442 HydrophobicContact CE1-CD2 4.29Å; Y356-L442 HydrophobicContact CE2-CD1 3.95Å; Y356-L442 HydrophobicContact CE2-CD2 3.82Å; Y356-L442 HydrophobicContact CE2-CG 4.34Å; Y356-L442 HydrophobicContact CG-CD1 3.69Å; V359-L442 HydrophobicContact CG1-CD1 4.16Å; V359-L442 HydrophobicContact CG2-CD1 4.4Å; L398-L442 HydrophobicContact CD1-CD2 3.93Å; L438-L442 HydrophobicContact CD1-CD1 4.36Å; L438-L442 HydrophobicContact CD1-CG 4.39Å; L438-L442 HydrophobicContact CG-CD1 4.1Å; L438-L442 WeakPolarHBondContact O-CG 3.38Å; L438-L442 PolarHBondContact O-N 3Å; A439-L442 PolarHBondContact O-N 3.49Å; L442-R444 VanDerWaalsContact C-N 3.34Å; L442-R444 PolarHBondContact O-N 3.09Å; L442-K445 PolarHBondContact O-N 3.37Å; L442-H446 PolarHBondContact O-CD2 3.19Å; L442-H446 VanDerWaalsContact O-CD2 3.32Å; L442-H446 PolarHBondContact O-N 3.28Å; L442-W467 HydrophobicContact CD2-CH2 4.41Å; L442-W467 HydrophobicContact CD2-CZ2 4.06Å
443A98.1Very high96.4Very high0 Ų040.3 Ų40.30%017%0.171CC..Hα-helixtrans-57.3-45.9175.200000112.2L348 L352 V368 W371 A439 L440 F441 K445 H446 L447L348-A443 HydrophobicContact CD2-CB 4.08Å; L352-A443 HydrophobicContact CD1-CB 3.95Å; V368-A443 HydrophobicContact CG1-CB 3.99Å; V368-A443 HydrophobicContact CG2-CB 4.14Å; W371-A443 HydrophobicContact CE3-CB 4.05Å; W371-A443 HydrophobicContact CH2-CB 4.41Å; W371-A443 HydrophobicContact CZ3-CB 3.87Å; A439-A443 WeakPolarHBondContact O-CB 3.4Å; A439-A443 PolarHBondContact O-N 3.12Å; L440-A443 PolarHBondContact O-N 2.96Å; F441-A443 PolarHBondContact O-N 3.37Å; A443-K445 VanDerWaalsContact C-N 3.33Å; A443-K445 PolarHBondContact O-N 3.02Å; A443-H446 PolarHBondContact O-N 3.46Å; A443-L447 WeakPolarHBondContact O-CB 3.45Å; A443-L447 PolarHBondContact O-N 2.95Å
444R96.7Very high96.3Very high107 Ų10733.4 Ų33.440%0.40415%0.145SC..Hα-helixtrans-70.2-27178.6-168.5177.6-179.8-151.3-2.1113.4W371 Y384 E391 L440 F441 L442W371-R444 HydrophobicContact CZ2-CB 4.38Å; Y384-R444 HydrophobicContact CD2-CB 4.48Å; Y384-R444 HydrophobicContact CE2-CB 4.02Å; Y384-R444 HydrophobicContact CE2-CG 4.46Å; E391-R444 IonicContact OE1-NH1 3.39Å; E391-R444 PolarHBondContact OE1-NH1 2.69Å; L440-R444 WeakPolarHBondContact O-CB 3.42Å; L440-R444 PolarHBondContact O-N 2.96Å; F441-R444 PolarHBondContact O-N 3.23Å; L442-R444 VanDerWaalsContact C-N 3.34Å; L442-R444 PolarHBondContact O-N 3.09Å
445K97.5Very high96Very high57 Ų5733.8 Ų33.825%0.24815%0.151CC..Hα-helixtrans-77.5-28.2175.3-65.7-63.2179.5-1660112.7E391 F441 L442 A443 W467E391-K445 IonicContact OE2-NZ 2.77Å; E391-K445 PolarHBondContact OE2-NZ 3.39Å; F441-K445 HydrophobicContact CD1-CG 4.31Å; F441-K445 HydrophobicContact CE1-CG 3.93Å; F441-K445 HydrophobicContact CE2-CD 4.39Å; F441-K445 HydrophobicContact CE2-CG 4.25Å; F441-K445 HydrophobicContact CZ-CD 4.21Å; F441-K445 HydrophobicContact CZ-CG 3.9Å; F441-K445 WeakPolarHBondContact O-CG 3.12Å; F441-K445 PolarHBondContact O-N 2.8Å; L442-K445 PolarHBondContact O-N 3.37Å; A443-K445 VanDerWaalsContact C-N 3.33Å; A443-K445 PolarHBondContact O-N 3.02Å; K445-W467 HydrophobicContact CB-CD2 3.75Å; K445-W467 VanDerWaalsContact CB-CE2 3.49Å; K445-W467 HydrophobicContact CB-CG 3.82Å; K445-W467 HydrophobicContact CB-CZ2 4.06Å; K445-W467 HydrophobicContact CD-CD2 4.24Å; K445-W467 HydrophobicContact CD-CE3 4.37Å; K445-W467 HydrophobicContact CD-CG 4.37Å; K445-W467 HydrophobicContact CG-CD2 4.06Å; K445-W467 HydrophobicContact CG-CE3 4.36Å; K445-W467 HydrophobicContact CG-CG 4.42Å; K445-W467 HydrophobicContact CG-CZ2 4.4Å
446H98.2Very high95.8Very high2 Ų233.8 Ų33.81%0.00916%0.157CC..Hα-helixtrans-98.6-17.9-179.2-76.7-69.5000114.8V314 L316 L348 L351 L442 A443 W467V314-H446 PolarHBondContact O-ND1 3Å; L316-H446 WeakPolarHBondContact CB-O 3.25Å; L316-H446 PolarHBondContact N-O 2.96Å; L348-H446 HydrophobicContact CD1-CB 3.7Å; L351-H446 HydrophobicContact CD2-CB 4.28Å; L442-H446 PolarHBondContact O-CD2 3.19Å; L442-H446 VanDerWaalsContact O-CD2 3.32Å; L442-H446 PolarHBondContact O-N 3.28Å; A443-H446 PolarHBondContact O-N 3.46Å; H446-W467 AromaticContact CD2-NE1 3.78Å; H446-W467 AromaticContact CE1-NE1 3.42Å; H446-W467 PolarHBondContact CE1-NE1 2.86Å; H446-W467 AromaticContact ND1-NE1 3.79Å; H446-W467 AromaticContact NE2-NE1 3.38Å; H446-W467 PolarHBondContact NE2-NE1 3.09Å
447L97.6Very high95.5Very high4 Ų434.9 Ų34.92%0.02117%0.173CC..EExtended strand (participates in β ladder)trans-124.8128179.3-170.882.1000110.8L316 R318 L348 W371 L372 A443L316-L447 HydrophobicContact CB-CD1 3.52Å; L316-L447 HydrophobicContact CD1-CD1 4.28Å; L316-L447 CarbonylContact O-C 3.57Å; L316-L447 WeakPolarHBondContact O-CA 3.41Å; R318-L447 HydrophobicContact CB-CD1 3.7Å; R318-L447 HydrophobicContact CB-CD2 4.36Å; R318-L447 HydrophobicContact CB-CG 4.23Å; L348-L447 HydrophobicContact CD1-CB 4.16Å; L348-L447 HydrophobicContact CD2-CB 3.82Å; L348-L447 HydrophobicContact CD2-CD2 4.02Å; L348-L447 HydrophobicContact CD2-CG 4.37Å; W371-L447 HydrophobicContact CH2-CB 4.13Å; W371-L447 HydrophobicContact CH2-CD2 3.8Å; W371-L447 HydrophobicContact CH2-CG 4.47Å; W371-L447 HydrophobicContact CZ3-CB 4.4Å; W371-L447 HydrophobicContact CZ3-CD2 3.71Å; L372-L447 HydrophobicContact CD2-CD2 3.58Å; A443-L447 WeakPolarHBondContact O-CB 3.45Å; A443-L447 PolarHBondContact O-N 2.95Å
448K96.3Very high95.4Very high43 Ų4333.3 Ų33.319%0.18717%0.168CC..EExtended strand (participates in β ladder)trans-116129.5169.8-179.5-179175.1-164.20109.3L315 L316 L317 R318 E462 Q464L315-K448 HydrophobicContact CD1-CB 4.17Å; L316-K448 PolarHBondContact O-N 3.37Å; L317-K448 WeakPolarHBondContact CA-O 3.48Å; L317-K448 HydrophobicContact CD2-CB 3.87Å; L317-K448 HydrophobicContact CD2-CD 3.99Å; L317-K448 HydrophobicContact CD2-CG 4.3Å; R318-K448 PolarHBondContact N-O 3.07Å; K448-E462 WeakPolarHBondContact CE-OE2 3.31Å; K448-E462 PolarHBondContact NZ-O 2.95Å; K448-E462 VanDerWaalsContact NZ-O 3.1Å; K448-E462 IonicContact NZ-OE2 2.87Å; K448-E462 PolarHBondContact NZ-OE2 2.85Å; K448-Q464 VanDerWaalsContact NZ-CD 3.35Å
449N95.1Very high95.3Very high10 Ų1038.7 Ų38.75%0.05319%0.193CC..EExtended strand (participates in β ladder)trans-82.9137.3173.3-79.3-43.1000110.5R318 T320 L377 E380R318-N449 PolarHBondContact NE-OD1 2.94Å; R318-N449 PolarHBondContact NH2-ND2 3.29Å; R318-N449 VanDerWaalsContact NH2-ND2 3.16Å; R318-N449 PolarHBondContact NH2-OD1 3.44Å; R318-N449 WeakPolarHBondContact O-CA 3.16Å; T320-N449 HydrophobicContact CG2-CB 3.84Å; L377-N449 HydrophobicContact CD2-CB 3.62Å; E380-N449 PolarHBondContact OE2-ND2 3.49Å
450V94.4Very high95.1Very high12 Ų1239.6 Ų39.67%0.07320%0.199CC..EExtended strand (participates in β ladder)trans-122.7125.2174-176.80000108L317 R318 R319 T320 A452 L458 E462L317-V450 HydrophobicContact CB-CG2 4.37Å; R318-V450 PolarHBondContact O-N 3.28Å; R319-V450 WeakPolarHBondContact CA-O 3.31Å; T320-V450 PolarHBondContact N-O 2.88Å; T320-V450 PolarHBondContact OG1-O 3.35Å; V450-A452 HydrophobicContact CG1-CB 3.97Å; V450-A452 PolarHBondContact O-N 2.98Å; V450-L458 HydrophobicContact CG1-CD1 4.17Å; V450-L458 HydrophobicContact CG2-CD1 4.33Å; V450-E462 HydrophobicContact CG1-CG 4.39Å
451E92.3Very high95Very high110 Ų11046 Ų4651%0.51423%0.229SC..  trans-79.470-179.8-67.1-170.5164.300111.5T320 L377T320-E451 WeakPolarHBondContact OG1-CA 3.23Å; L377-E451 HydrophobicContact CD1-CG 4.2Å; L377-E451 HydrophobicContact CG-CG 4.3Å
452A91.5Very high94.8Very high14 Ų1449 Ų4912%0.11624%0.243CC..  trans-142.4160.8-176.100000112.1Q321 V450Q321-A452 WeakPolarHBondContact CB-O 3.4Å; Q321-A452 PolarHBondContact N-O 3.39Å; Q321-A452 VanDerWaalsContact N-O 3.16Å; V450-A452 HydrophobicContact CG1-CB 3.97Å; V450-A452 PolarHBondContact O-N 2.98Å
453T92.3Very high94.7Very high56 Ų5649.2 Ų49.234%0.34424%0.244SC..  trans-81.3169170.2740000110.8R319 Q321 F455 S456R319-T453 VanDerWaalsContact CD-O 3.27Å; R319-T453 WeakPolarHBondContact CD-O 3.17Å; R319-T453 PolarHBondContact NH1-O 2.84Å; Q321-T453 HydrophobicContact CB-CG2 4.27Å; T453-F455 VanDerWaalsContact C-N 3.27Å; T453-F455 PolarHBondContact O-N 3.39Å; T453-S456 PolarHBondContact N-OG 2.88Å; T453-S456 PolarHBondContact O-N 2.86Å; T453-S456 PolarHBondContact OG1-N 2.92Å; T453-S456 PolarHBondContact OG1-OG 3.47Å
454H92.7Very high94.6Very high1 Ų153.7 Ų53.71%0.00527%0.265CS..THydrogen-bonded Turntrans-56.9-37.6-179.5-167.277.7000113.9W246 S247 A270 R319 D322 V324W246-H454 AromaticContact CZ2-CD2 3.96Å; W246-H454 AromaticContact CZ2-NE2 3.98Å; W246-H454 PolarHBondContact NE1-O 3.16Å; S247-H454 WeakPolarHBondContact CB-NE2 3.34Å; S247-H454 PolarHBondContact OG-CE1 2.82Å; S247-H454 VanDerWaalsContact OG-CE1 3.25Å; S247-H454 PolarHBondContact OG-NE2 2.85Å; A270-H454 PolarHBondContact O-CE1 3.31Å; R319-H454 PolarHBondContact NH1-O 3.36Å; D322-H454 VanDerWaalsContact CG-ND1 3.3Å; D322-H454 IonicContact OD1-CG 2.65Å; D322-H454 IonicContact OD1-ND1 2.8Å; D322-H454 PolarHBondContact OD1-ND1 3.28Å; D322-H454 IonicContact OD2-CE1 3.17Å; D322-H454 IonicContact OD2-CG 3.64Å; D322-H454 IonicContact OD2-ND1 2.68Å; D322-H454 PolarHBondContact OD2-ND1 2.81Å; V324-H454 HydrophobicContact CB-CB 3.92Å; V324-H454 HydrophobicContact CG2-CB 3.57Å
455F90.5Very high94.5Very high135 Ų13551 Ų5159%0.59226%0.258SS*.THydrogen-bonded Turntrans-99.8-2.9-172.8-59.2-70.6000114.3W246 V324 T453W246-F455 HydrophobicContact CH2-CD1 4.26Å; W246-F455 HydrophobicContact CZ2-CD1 4.19Å; V324-F455 HydrophobicContact CG2-CE2 3.7Å; V324-F455 HydrophobicContact CG2-CZ 3.89Å; T453-F455 VanDerWaalsContact C-N 3.27Å; T453-F455 PolarHBondContact O-N 3.39Å
456S92.2Very high94.5Very high40 Ų4049 Ų4928%0.2825%0.251SS..SBendtrans-59.9138.8173.6-62.80000109.9R319 T453 L458R319-S456 PolarHBondContact NH1-O 3.2Å; R319-S456 PolarHBondContact NH2-O 3.23Å; T453-S456 PolarHBondContact N-OG 2.88Å; T453-S456 PolarHBondContact O-N 2.86Å; T453-S456 PolarHBondContact OG1-N 2.92Å; T453-S456 PolarHBondContact OG1-OG 3.47Å; S456-L458 PolarHBondContact O-N 2.87Å
457P90.8Very high94.3Very high95 Ų9551.3 Ų51.362%0.61726%0.26SS*.PPolyproline II helixtrans-55.8142.7166.6-24.735.4000110.2
458L95.3Very high93.8Very high12 Ų1253.9 Ų53.96%0.06329%0.288CS..PPolyproline II helixtrans-77.5128.9169.9-174.172.4000107.6A191 Y244 L317 V450 S456 E462 F463A191-L458 HydrophobicContact CB-CB 3.9Å; A191-L458 HydrophobicContact CB-CD2 4.14Å; A191-L458 HydrophobicContact CB-CG 4.24Å; A191-L458 VanDerWaalsContact CB-O 3.23Å; A191-L458 WeakPolarHBondContact CB-O 3.11Å; Y244-L458 WeakPolarHBondContact OH-CD2 3.4Å; L317-L458 HydrophobicContact CD1-CD1 4.25Å; L317-L458 HydrophobicContact CD1-CD2 3.65Å; V450-L458 HydrophobicContact CG1-CD1 4.17Å; V450-L458 HydrophobicContact CG2-CD1 4.33Å; S456-L458 PolarHBondContact O-N 2.87Å; L458-E462 HydrophobicContact CD1-CB 3.65Å; L458-E462 HydrophobicContact CG-CB 3.98Å; L458-F463 HydrophobicContact CD2-CB 4.12Å; L458-F463 HydrophobicContact CD2-CD2 4.36Å
459E96Very high93.3Very high114 Ų11454.1 Ų54.153%0.53329%0.291SS..PPolyproline II helixtrans-67.5147.2176.6-61.8-59.4143.400110.7E461 E462 F463E459-E461 PolarHBondContact O-N 3.48Å; E459-E462 HydrophobicContact CB-CG 4.08Å; E459-E462 WeakPolarHBondContact O-CB 3.47Å; E459-E462 PolarHBondContact O-N 3.37Å; E459-F463 PolarHBondContact O-N 3Å
460P95.2Very high93.2Very high19 Ų1956.4 Ų56.412%0.12330%0.303CS..THydrogen-bonded Turntrans-57.2-36.1-177.2-25.536000113.6E194 A195 E462 F463E194-P460 HydrophobicContact CB-CB 4.02Å; E194-P460 HydrophobicContact CB-CG 3.55Å; A195-P460 HydrophobicContact CB-CB 4.24Å; P460-E462 PolarHBondContact O-N 2.85Å; P460-F463 PolarHBondContact O-N 3.25Å
461E94.7Very high93.1Very high135 Ų13558.7 Ų58.763%0.63132%0.315SS*.THydrogen-bonded Turntrans-72.3-21.4-179.8-55.973.4-157.400112.5E459 Q464E459-E461 PolarHBondContact O-N 3.48Å; E461-Q464 PolarHBondContact O-NE2 3.01Å; E461-Q464 VanDerWaalsContact O-NE2 3.09Å
462E95.6Very high93.2Very high61 Ų6155.8 Ų55.829%0.28530%0.304SS..THydrogen-bonded Turntrans-78.7-27.7177.9-67.5-63.4154.600111.9K448 V450 L458 E459 P460 Q464K448-E462 WeakPolarHBondContact CE-OE2 3.31Å; K448-E462 PolarHBondContact NZ-O 2.95Å; K448-E462 VanDerWaalsContact NZ-O 3.1Å; K448-E462 IonicContact NZ-OE2 2.87Å; K448-E462 PolarHBondContact NZ-OE2 2.85Å; V450-E462 HydrophobicContact CG1-CG 4.39Å; L458-E462 HydrophobicContact CD1-CB 3.65Å; L458-E462 HydrophobicContact CG-CB 3.98Å; E459-E462 HydrophobicContact CB-CG 4.08Å; E459-E462 WeakPolarHBondContact O-CB 3.47Å; E459-E462 PolarHBondContact O-N 3.37Å; P460-E462 PolarHBondContact O-N 2.85Å; E462-Q464 PolarHBondContact O-N 3.36Å
463F96.5Very high93.3Very high7 Ų758.3 Ų58.33%0.03132%0.315CS..  trans-72.3105.4173.5-174.1-92.3000110.8V174 A191 P192 Y197 Y244 V267 L458 E459 P460V174-F463 HydrophobicContact CB-CZ 4.48Å; V174-F463 HydrophobicContact CG1-CE2 4.32Å; V174-F463 HydrophobicContact CG1-CZ 3.79Å; V174-F463 HydrophobicContact CG2-CE1 3.94Å; V174-F463 HydrophobicContact CG2-CZ 3.83Å; A191-F463 HydrophobicContact CB-CB 4.33Å; P192-F463 HydrophobicContact CB-CD1 3.95Å; P192-F463 HydrophobicContact CB-CD2 4.34Å; P192-F463 HydrophobicContact CB-CE1 3.78Å; P192-F463 HydrophobicContact CB-CE2 4.18Å; P192-F463 HydrophobicContact CB-CG 4.24Å; P192-F463 HydrophobicContact CB-CZ 3.9Å; Y197-F463 HydrophobicContact CD2-CD1 4.14Å; Y197-F463 HydrophobicContact CD2-CE1 4Å; Y197-F463 AromaticContact CE2-CD1 3.78Å; Y197-F463 HydrophobicContact CE2-CD1 3.78Å; Y197-F463 AromaticContact CE2-CE1 3.79Å; Y197-F463 HydrophobicContact CE2-CE1 3.79Å; Y244-F463 HydrophobicContact CD1-CD2 4.32Å; Y244-F463 AromaticContact CD1-CE2 3.83Å; Y244-F463 HydrophobicContact CD1-CE2 3.83Å; Y244-F463 HydrophobicContact CD2-CD2 4.46Å; Y244-F463 AromaticContact CD2-CE2 3.88Å; Y244-F463 HydrophobicContact CD2-CE2 3.88Å; Y244-F463 HydrophobicContact CE1-CD2 4.25Å; Y244-F463 HydrophobicContact CE1-CE2 4.21Å; Y244-F463 HydrophobicContact CE2-CD2 4.4Å; Y244-F463 HydrophobicContact CE2-CE2 4.27Å; Y244-F463 HydrophobicContact CG-CD2 4.43Å; Y244-F463 AromaticContact CG-CE2 3.66Å; Y244-F463 HydrophobicContact CG-CE2 3.66Å; V267-F463 HydrophobicContact CB-CE2 4.38Å; V267-F463 HydrophobicContact CG1-CE2 4.27Å; V267-F463 HydrophobicContact CG2-CE2 4.44Å; V267-F463 HydrophobicContact CG2-CZ 4.5Å; L458-F463 HydrophobicContact CD2-CB 4.12Å; L458-F463 HydrophobicContact CD2-CD2 4.36Å; E459-F463 PolarHBondContact O-N 3Å; P460-F463 PolarHBondContact O-N 3.25Å
464Q94.4Very high93.3Very high94 Ų9458.4 Ų58.444%0.43931%0.313SS..  trans-126.6147.4-178.3-64.4176.5700110L315 K448 E461 E462L315-Q464 HydrophobicContact CD2-CB 4.27Å; L315-Q464 WeakPolarHBondContact CD2-O 3.38Å; K448-Q464 VanDerWaalsContact NZ-CD 3.35Å; E461-Q464 PolarHBondContact O-NE2 3.01Å; E461-Q464 VanDerWaalsContact O-NE2 3.09Å; E462-Q464 PolarHBondContact O-N 3.36Å
465L96.1Very high93.4Very high50 Ų5062.3 Ų62.326%0.26233%0.334SS..PPolyproline II helixtrans-71.3149.1171.5-62.3-177.6000110.2Y197 V242Y197-L465 HydrophobicContact CE1-CD1 4.24Å; Y197-L465 HydrophobicContact CE1-CD2 4.22Å; Y197-L465 HydrophobicContact CE1-CG 4.34Å; V242-L465 HydrophobicContact CB-CD2 4.44Å; V242-L465 HydrophobicContact CG1-CD2 4.03Å; V242-L465 HydrophobicContact CG2-CD2 3.7Å
466P96.8Very high93.6Very high16 Ų1657.1 Ų57.110%0.10432%0.315CS..PPolyproline II helixtrans-58.8152.7174-19.931.3000112.4A265 L266 V267 P313 L315A265-P466 HydrophobicContact CB-CG 3.85Å; L266-P466 WeakPolarHBondContact O-CG 3.38Å; V267-P466 HydrophobicContact CG2-CG 4.18Å; P313-P466 HydrophobicContact CB-CB 3.66Å; P313-P466 HydrophobicContact CB-CG 4.21Å; L315-P466 HydrophobicContact CB-CB 3.91Å; L315-P466 HydrophobicContact CB-CG 3.75Å
467W93.7Very high93.7Very high49 Ų4958.4 Ų58.419%0.18632%0.318CS..PPolyproline II helixtrans-65.3146.1172.881.7-66.5000111.3L395 L398 F441 L442 K445 H446 L469L395-W467 HydrophobicContact CD2-CZ3 4.08Å; L398-W467 HydrophobicContact CD1-CH2 4.07Å; F441-W467 HydrophobicContact CE1-CH2 4.3Å; L442-W467 HydrophobicContact CD2-CH2 4.41Å; L442-W467 HydrophobicContact CD2-CZ2 4.06Å; K445-W467 HydrophobicContact CB-CD2 3.75Å; K445-W467 VanDerWaalsContact CB-CE2 3.49Å; K445-W467 HydrophobicContact CB-CG 3.82Å; K445-W467 HydrophobicContact CB-CZ2 4.06Å; K445-W467 HydrophobicContact CD-CD2 4.24Å; K445-W467 HydrophobicContact CD-CE3 4.37Å; K445-W467 HydrophobicContact CD-CG 4.37Å; K445-W467 HydrophobicContact CG-CD2 4.06Å; K445-W467 HydrophobicContact CG-CE3 4.36Å; K445-W467 HydrophobicContact CG-CG 4.42Å; K445-W467 HydrophobicContact CG-CZ2 4.4Å; H446-W467 AromaticContact CD2-NE1 3.78Å; H446-W467 AromaticContact CE1-NE1 3.42Å; H446-W467 PolarHBondContact CE1-NE1 2.86Å; H446-W467 AromaticContact ND1-NE1 3.79Å; H446-W467 AromaticContact NE2-NE1 3.38Å; H446-W467 PolarHBondContact NE2-NE1 3.09Å; W467-L469 HydrophobicContact CH2-CB 4.28Å; W467-L469 HydrophobicContact CH2-CD1 4.12Å; W467-L469 HydrophobicContact CZ3-CB 4.02Å; W467-L469 HydrophobicContact CZ3-CD1 3.84Å
468G86.7Confident93.9Very high59 Ų5955.3 Ų55.361%0.60829%0.293SS*.  trans-114.8145.9167.400000110.1
469L86.2Confident93.8Very high48 Ų4859.3 Ų59.325%0.25131%0.314SS..  trans-81.40179.617967.6000113.1L395 L398 R399 R402 W424 W467L395-L469 HydrophobicContact CD2-CD1 4.04Å; L398-L469 HydrophobicContact CB-CD1 3.63Å; L398-L469 HydrophobicContact CB-CD2 3.75Å; L398-L469 HydrophobicContact CB-CG 4.35Å; L398-L469 HydrophobicContact CD1-CD1 4.31Å; R399-L469 HydrophobicContact CG-CD1 3.9Å; R399-L469 HydrophobicContact CG-CG 4.04Å; R399-L469 PolarHBondContact NE-OXT 3.28Å; R402-L469 HydrophobicContact CB-CD2 4.23Å; R402-L469 PolarHBondContact NH1-O 3.19Å; W424-L469 HydrophobicContact CH2-CD2 3.7Å; W424-L469 HydrophobicContact CZ3-CD2 3.71Å; W467-L469 HydrophobicContact CH2-CB 4.28Å; W467-L469 HydrophobicContact CH2-CD1 4.12Å; W467-L469 HydrophobicContact CZ3-CB 4.02Å; W467-L469 HydrophobicContact CZ3-CD1 3.84Å

Retrieved 469 of 469 residues in 94 ms (Link to these results)

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