A0A077YZH7_TRITR Loading...

Mannosyltransferase

AlphaFold DB , UniProt , Accession A0A077YZH7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 448 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 low71.7Confident199 Ų199103.3 Ų103.398%0.9852%0.517SS*.  0101.20-129.3169.8-169.200107.3
2T52.1Low73.5Confident99 Ų9996.5 Ų96.561%0.60749%0.489SS*.PPolyproline II helixtrans-61.1141.1155.241.50000106.2
3L58.4Low75Confident53 Ų53101.4 Ų101.428%0.27750%0.5SS..PPolyproline II helixtrans-54.1127.9166.6-76.2166.8000106C116 W117L3-C116 HydrophobicContact CB-CB 3.89Å; L3-C116 HydrophobicContact CD1-CB 3.9Å; L3-W117 HydrophobicContact CD1-CD2 3.96Å; L3-W117 HydrophobicContact CD1-CE3 4.33Å; L3-W117 HydrophobicContact CD1-CG 4.36Å; L3-W117 HydrophobicContact CD1-CH2 4.16Å; L3-W117 HydrophobicContact CD1-CZ2 3.88Å; L3-W117 HydrophobicContact CD1-CZ3 4.44Å; L3-W117 HydrophobicContact CG-CH2 4.42Å; L3-W117 HydrophobicContact CG-CZ2 3.92Å
4P64.9Low76.3Confident93 Ų93100.5 Ų100.560%0.60449%0.492SS*.PPolyproline II helixtrans-55.2140.1172.725.1-32.1000106.9F6P4-F6 PolarHBondContact O-N 3.49Å; P4-F6 VanDerWaalsContact O-N 3.15Å
5P70.8Confident77.5Confident70 Ų7093.8 Ų93.846%0.45546%0.459SS..PPolyproline II helixtrans-50.6129.1176.721.9-33.1000109.4E7 Q112P5-E7 PolarHBondContact O-N 3.18Å; P5-Q112 HydrophobicContact CB-CG 3.7Å; P5-Q112 VanDerWaalsContact CB-OE1 3.31Å
6F72.7Confident78.6Confident55 Ų5593.8 Ų93.824%0.24146%0.461CS..  trans-61.7115.4172.1-66.8-56.6000107.4P4 T10 L11 Y103 C116P4-F6 PolarHBondContact O-N 3.49Å; P4-F6 VanDerWaalsContact O-N 3.15Å; F6-T10 HydrophobicContact CD1-CG2 3.98Å; F6-L11 HydrophobicContact CB-CB 4.06Å; F6-L11 HydrophobicContact CD2-CD1 4.42Å; F6-Y103 HydrophobicContact CB-CE2 4.28Å; F6-Y103 HydrophobicContact CD2-CD2 4.46Å; F6-Y103 AromaticContact CD2-CE2 3.87Å; F6-Y103 HydrophobicContact CD2-CE2 3.87Å; F6-Y103 PolarHBondContact N-OH 3.14Å; F6-Y103 PolarHBondContact O-OH 3.46Å; F6-C116 HydrophobicContact CD2-CB 4.12Å; F6-C116 HydrophobicContact CE2-CB 3.9Å
7E80Confident79.5Confident137 Ų13795.5 Ų95.564%0.6447%0.465SS*.  trans-54.6143.9161.8-66.5-173.9-176.800107.9P5 R9 T10 L11P5-E7 PolarHBondContact O-N 3.18Å; E7-R9 PolarHBondContact O-N 3.4Å; E7-T10 WeakPolarHBondContact O-CA 3.28Å; E7-T10 WeakPolarHBondContact O-CB 3.5Å; E7-T10 PolarHBondContact O-N 2.9Å; E7-L11 PolarHBondContact O-N 3.48Å
8K80.7Confident80.4Confident176 Ų17690.9 Ų90.977%0.76544%0.442SS*.Hα-helixtrans-51.5-35.6-177.7-170.3179.1-179.7179.40112.4A12K8-A12 WeakPolarHBondContact O-CB 3.39Å; K8-A12 PolarHBondContact O-N 2.95Å; K8-A12 VanDerWaalsContact O-N 3.13Å
9R87.5Confident81.2Confident184 Ų18486.6 Ų86.669%0.69442%0.421SS*.Hα-helixtrans-67.5-45.3175.8-68.7-177.6176.8-178.5-1.1112.3E7 L11 A12 Y13E7-R9 PolarHBondContact O-N 3.4Å; R9-L11 PolarHBondContact O-N 2.82Å; R9-A12 PolarHBondContact O-N 3.47Å; R9-Y13 HydrophobicContact CB-CE2 4.17Å; R9-Y13 WeakPolarHBondContact O-CD2 3.37Å; R9-Y13 PolarHBondContact O-N 3.2Å
10T88.9Confident81.7Confident66 Ų6684.5 Ų84.541%0.40542%0.418SS..Hα-helixtrans-60.7-44.7177.9-53.60000111.6F6 E7 A12 Y13 F14F6-T10 HydrophobicContact CD1-CG2 3.98Å; E7-T10 WeakPolarHBondContact O-CA 3.28Å; E7-T10 WeakPolarHBondContact O-CB 3.5Å; E7-T10 PolarHBondContact O-N 2.9Å; T10-A12 VanDerWaalsContact C-N 3.35Å; T10-A12 PolarHBondContact O-N 3.1Å; T10-Y13 PolarHBondContact O-N 2.94Å; T10-F14 WeakPolarHBondContact O-CB 3.48Å; T10-F14 PolarHBondContact O-N 3.2Å
11L90.5Very high82.4Confident4 Ų482.9 Ų82.92%0.02141%0.411CS..Hα-helixtrans-62-43175.8-17963.7000111.7F6 E7 R9 F14 A15 Y103 M119F6-L11 HydrophobicContact CB-CB 4.06Å; F6-L11 HydrophobicContact CD2-CD1 4.42Å; E7-L11 PolarHBondContact O-N 3.48Å; R9-L11 PolarHBondContact O-N 2.82Å; L11-F14 PolarHBondContact O-N 2.7Å; L11-A15 VanDerWaalsContact O-CB 3.29Å; L11-A15 WeakPolarHBondContact O-CB 3.31Å; L11-A15 PolarHBondContact O-N 3.16Å; L11-Y103 VanDerWaalsContact CD2-CB 3.48Å; L11-Y103 HydrophobicContact CD2-CD1 3.77Å; L11-Y103 HydrophobicContact CD2-CD2 4.06Å; L11-Y103 HydrophobicContact CD2-CE1 4.46Å; L11-Y103 HydrophobicContact CD2-CG 3.5Å; L11-M119 HydrophobicContact CD1-CE 4.3Å; L11-M119 HydrophobicContact CD1-CG 4.12Å
12A92.5Very high84.8Confident22 Ų2273.4 Ų73.418%0.18236%0.364CS..Hα-helixtrans-63.4-46.2178.500000112K8 R9 T10 A15 I16 F96K8-A12 WeakPolarHBondContact O-CB 3.39Å; K8-A12 PolarHBondContact O-N 2.95Å; K8-A12 VanDerWaalsContact O-N 3.13Å; R9-A12 PolarHBondContact O-N 3.47Å; T10-A12 VanDerWaalsContact C-N 3.35Å; T10-A12 PolarHBondContact O-N 3.1Å; A12-A15 PolarHBondContact O-N 3.17Å; A12-I16 VanDerWaalsContact O-CG1 3.29Å; A12-I16 WeakPolarHBondContact O-CG1 3.32Å; A12-I16 PolarHBondContact O-N 3.36Å; A12-F96 HydrophobicContact CB-CE2 4.23Å; A12-F96 HydrophobicContact CB-CZ 4.22Å
13Y93.7Very high86.7Confident160 Ų16070.9 Ų70.963%0.62735%0.347SS*.Hα-helixtrans-64.3-41.8177.8-65.8-42.5000112.5R9 T10 I16 F17R9-Y13 HydrophobicContact CB-CE2 4.17Å; R9-Y13 WeakPolarHBondContact O-CD2 3.37Å; R9-Y13 PolarHBondContact O-N 3.2Å; T10-Y13 PolarHBondContact O-N 2.94Å; Y13-I16 PolarHBondContact O-N 3.17Å; Y13-F17 WeakPolarHBondContact O-CB 3.25Å; Y13-F17 PolarHBondContact O-N 2.84Å
14F93Very high88.3Confident89 Ų8974 Ų7439%0.3936%0.363SS..Hα-helixtrans-62.6-44.8175.2-174.6-84.9000111.4T10 L11 I16 F17 Y18 Y123T10-F14 WeakPolarHBondContact O-CB 3.48Å; T10-F14 PolarHBondContact O-N 3.2Å; L11-F14 PolarHBondContact O-N 2.7Å; F14-I16 PolarHBondContact O-N 3.25Å; F14-F17 PolarHBondContact O-N 3.18Å; F14-Y18 HydrophobicContact CE1-CD2 4.24Å; F14-Y18 HydrophobicContact CE1-CG 4.43Å; F14-Y18 VanDerWaalsContact O-CB 3.29Å; F14-Y18 WeakPolarHBondContact O-CB 3.43Å; F14-Y18 PolarHBondContact O-N 2.95Å; F14-Y123 AromaticContact CD1-CD2 3.83Å; F14-Y123 HydrophobicContact CD1-CD2 3.83Å; F14-Y123 AromaticContact CD1-CE2 3.45Å; F14-Y123 HydrophobicContact CD1-CE2 3.45Å; F14-Y123 VanDerWaalsContact CD1-CE2 3.45Å; F14-Y123 AromaticContact CE1-CD2 3.27Å; F14-Y123 HydrophobicContact CE1-CD2 3.27Å; F14-Y123 AromaticContact CE1-CE2 3.42Å; F14-Y123 HydrophobicContact CE1-CE2 3.42Å; F14-Y123 VanDerWaalsContact CE1-CE2 3.42Å; F14-Y123 AromaticContact CE1-CG 3.88Å; F14-Y123 HydrophobicContact CE1-CG 3.88Å; F14-Y123 HydrophobicContact CZ-CD2 4.27Å
15A94.3Very high89.8Confident0 Ų071.9 Ų71.90%035%0.346CS..Hα-helixtrans-61-45.8177.900000111.2L11 A12 F17 Y18 R19 F96 D99 Y123L11-A15 VanDerWaalsContact O-CB 3.29Å; L11-A15 WeakPolarHBondContact O-CB 3.31Å; L11-A15 PolarHBondContact O-N 3.16Å; A12-A15 PolarHBondContact O-N 3.17Å; A15-F17 PolarHBondContact O-N 3.43Å; A15-Y18 PolarHBondContact O-N 2.99Å; A15-R19 WeakPolarHBondContact O-CB 3.21Å; A15-R19 VanDerWaalsContact O-CG 3.25Å; A15-R19 WeakPolarHBondContact O-CG 3.37Å; A15-R19 PolarHBondContact O-N 2.88Å; A15-F96 HydrophobicContact CB-CD2 3.62Å; A15-F96 HydrophobicContact CB-CE2 3.9Å; A15-D99 HydrophobicContact CB-CB 4.35Å; A15-Y123 WeakPolarHBondContact CB-OH 3.06Å
16I94.2Very high90.9Very high94 Ų9469.1 Ų69.148%0.48233%0.328SS..Hα-helixtrans-58-48.2176-69.3164.7000110.9A12 Y13 F14 Y18 R19 A20 F96A12-I16 VanDerWaalsContact O-CG1 3.29Å; A12-I16 WeakPolarHBondContact O-CG1 3.32Å; A12-I16 PolarHBondContact O-N 3.36Å; Y13-I16 PolarHBondContact O-N 3.17Å; F14-I16 PolarHBondContact O-N 3.25Å; I16-Y18 PolarHBondContact O-N 3.41Å; I16-R19 PolarHBondContact O-N 2.69Å; I16-A20 WeakPolarHBondContact O-CB 3.34Å; I16-A20 PolarHBondContact O-N 2.94Å; I16-F96 HydrophobicContact CD1-CE2 4.3Å; I16-F96 HydrophobicContact CG1-CD2 4.03Å; I16-F96 HydrophobicContact CG1-CE2 3.76Å
17F94.9Very high91.9Very high123 Ų12369.7 Ų69.754%0.53933%0.332SS..Hα-helixtrans-60.1-46.5177.3173.3-103.6000111.9Y13 F14 A15 R19 A20 L21Y13-F17 WeakPolarHBondContact O-CB 3.25Å; Y13-F17 PolarHBondContact O-N 2.84Å; F14-F17 PolarHBondContact O-N 3.18Å; A15-F17 PolarHBondContact O-N 3.43Å; F17-R19 PolarHBondContact O-N 2.76Å; F17-A20 WeakPolarHBondContact O-CB 3.5Å; F17-A20 PolarHBondContact O-N 2.84Å; F17-L21 HydrophobicContact CD1-CD1 4.09Å; F17-L21 HydrophobicContact CE1-CD1 3.44Å; F17-L21 VanDerWaalsContact CE1-CD1 3.44Å; F17-L21 HydrophobicContact CE1-CG 4.14Å; F17-L21 HydrophobicContact CE2-CD1 4.45Å; F17-L21 HydrophobicContact CE2-CD2 4.46Å; F17-L21 HydrophobicContact CE2-CG 4.35Å; F17-L21 HydrophobicContact CZ-CD1 3.66Å; F17-L21 HydrophobicContact CZ-CD2 4.23Å; F17-L21 HydrophobicContact CZ-CG 4.02Å; F17-L21 WeakPolarHBondContact O-CG 3.38Å; F17-L21 PolarHBondContact O-N 3.28Å
18Y95.4Very high92.7Very high13 Ų1363.3 Ų63.35%0.05130%0.302CS..Hα-helixtrans-62-42.8178.7-176-91.2000112.1F14 A15 I16 L21 N22 Y123 Q128 F129F14-Y18 HydrophobicContact CE1-CD2 4.24Å; F14-Y18 HydrophobicContact CE1-CG 4.43Å; F14-Y18 VanDerWaalsContact O-CB 3.29Å; F14-Y18 WeakPolarHBondContact O-CB 3.43Å; F14-Y18 PolarHBondContact O-N 2.95Å; A15-Y18 PolarHBondContact O-N 2.99Å; I16-Y18 PolarHBondContact O-N 3.41Å; Y18-L21 WeakPolarHBondContact O-CB 3.28Å; Y18-L21 PolarHBondContact O-N 3.27Å; Y18-N22 WeakPolarHBondContact CD1-OD1 3.29Å; Y18-N22 WeakPolarHBondContact CE1-OD1 3.29Å; Y18-N22 PolarHBondContact O-N 2.88Å; Y18-N22 PolarHBondContact O-OD1 3.27Å; Y18-Y123 AromaticContact CD1-CD1 3.5Å; Y18-Y123 HydrophobicContact CD1-CD1 3.5Å; Y18-Y123 AromaticContact CD1-CE1 3.58Å; Y18-Y123 HydrophobicContact CD1-CE1 3.58Å; Y18-Y123 HydrophobicContact CD1-CG 4.48Å; Y18-Y123 AromaticContact CD2-CD1 3.91Å; Y18-Y123 HydrophobicContact CD2-CD1 3.91Å; Y18-Y123 HydrophobicContact CD2-CG 4.13Å; Y18-Y123 AromaticContact CE1-CD1 3.41Å; Y18-Y123 HydrophobicContact CE1-CD1 3.41Å; Y18-Y123 VanDerWaalsContact CE1-CD1 3.41Å; Y18-Y123 AromaticContact CE1-CE1 3.87Å; Y18-Y123 HydrophobicContact CE1-CE1 3.87Å; Y18-Y123 HydrophobicContact CE1-CG 4.42Å; Y18-Y123 AromaticContact CE2-CD1 3.82Å; Y18-Y123 HydrophobicContact CE2-CD1 3.82Å; Y18-Y123 HydrophobicContact CE2-CG 4.04Å; Y18-Y123 VanDerWaalsContact CE2-O 3.3Å; Y18-Y123 WeakPolarHBondContact CE2-O 3.17Å; Y18-Y123 AromaticContact CG-CD1 3.75Å; Y18-Y123 HydrophobicContact CG-CD1 3.75Å; Y18-Y123 AromaticContact CG-CE1 3.94Å; Y18-Y123 HydrophobicContact CG-CE1 3.94Å; Y18-Y123 HydrophobicContact CG-CG 4.34Å; Y18-Y123 AromaticContact CZ-CD1 3.55Å; Y18-Y123 PolarHBondContact OH-O 3.34Å; Y18-Q128 PolarHBondContact OH-OE1 3.1Å; Y18-F129 HydrophobicContact CE1-CD2 4.33Å; Y18-F129 AromaticContact CE2-CD2 3.86Å; Y18-F129 HydrophobicContact CE2-CD2 3.86Å; Y18-F129 HydrophobicContact CE2-CE2 4.34Å; Y18-F129 AromaticContact CZ-CD2 3.61Å; Y18-F129 WeakPolarHBondContact OH-CB 3.21Å; Y18-F129 WeakPolarHBondContact OH-CD2 3.11Å
19R94.8Very high93.4Very high8 Ų855.6 Ų55.63%0.0327%0.268CS..Hα-helixtrans-67.6-36.3175.9-63-42.1172.8175.36.9112.5A15 I16 F17 L21 N22 L23 C92 F96 D99 Y122A15-R19 WeakPolarHBondContact O-CB 3.21Å; A15-R19 VanDerWaalsContact O-CG 3.25Å; A15-R19 WeakPolarHBondContact O-CG 3.37Å; A15-R19 PolarHBondContact O-N 2.88Å; I16-R19 PolarHBondContact O-N 2.69Å; F17-R19 PolarHBondContact O-N 2.76Å; R19-L21 VanDerWaalsContact C-N 3.33Å; R19-N22 WeakPolarHBondContact CD-OD1 3.47Å; R19-N22 PolarHBondContact NH1-OD1 3.43Å; R19-N22 VanDerWaalsContact NH1-OD1 3.14Å; R19-N22 WeakPolarHBondContact O-CB 3.41Å; R19-N22 PolarHBondContact O-N 3.07Å; R19-L23 WeakPolarHBondContact O-CG 3.35Å; R19-L23 PolarHBondContact O-N 2.92Å; R19-L23 VanDerWaalsContact O-N 3.12Å; R19-C92 HydrophobicContact CB-CB 4.18Å; R19-F96 HydrophobicContact CG-CB 4.38Å; R19-D99 IonicContact CZ-OD1 3.63Å; R19-D99 IonicContact CZ-OD2 2.91Å; R19-D99 VanDerWaalsContact CZ-OD2 3.23Å; R19-D99 IonicContact NE-OD2 3.77Å; R19-D99 PolarHBondContact NE-OD2 2.81Å; R19-D99 IonicContact NH2-OD1 3.47Å; R19-D99 PolarHBondContact NH2-OD1 3.45Å; R19-D99 IonicContact NH2-OD2 3.29Å; R19-D99 PolarHBondContact NH2-OD2 2.96Å; R19-Y122 PolarHBondContact NH2-OH 2.96Å
20A93Very high93.7Very high44 Ų4448.7 Ų48.736%0.36424%0.243SC..Hα-helixtrans-62.9-40.1171.300000111.7I16 F17 L23 L24I16-A20 WeakPolarHBondContact O-CB 3.34Å; I16-A20 PolarHBondContact O-N 2.94Å; F17-A20 WeakPolarHBondContact O-CB 3.5Å; F17-A20 PolarHBondContact O-N 2.84Å; A20-L23 PolarHBondContact O-N 2.78Å; A20-L24 WeakPolarHBondContact O-CG 3.22Å; A20-L24 PolarHBondContact O-N 3.36Å
21L94.8Very high94Very high52 Ų5246.2 Ų46.227%0.27223%0.228SC..Hα-helixtrans-62.3-40.7172.4-71179.2000112.2F17 Y18 R19 L23 L24 L25 F129F17-L21 HydrophobicContact CD1-CD1 4.09Å; F17-L21 HydrophobicContact CE1-CD1 3.44Å; F17-L21 VanDerWaalsContact CE1-CD1 3.44Å; F17-L21 HydrophobicContact CE1-CG 4.14Å; F17-L21 HydrophobicContact CE2-CD1 4.45Å; F17-L21 HydrophobicContact CE2-CD2 4.46Å; F17-L21 HydrophobicContact CE2-CG 4.35Å; F17-L21 HydrophobicContact CZ-CD1 3.66Å; F17-L21 HydrophobicContact CZ-CD2 4.23Å; F17-L21 HydrophobicContact CZ-CG 4.02Å; F17-L21 WeakPolarHBondContact O-CG 3.38Å; F17-L21 PolarHBondContact O-N 3.28Å; Y18-L21 WeakPolarHBondContact O-CB 3.28Å; Y18-L21 PolarHBondContact O-N 3.27Å; R19-L21 VanDerWaalsContact C-N 3.33Å; L21-L23 VanDerWaalsContact C-N 3.28Å; L21-L23 PolarHBondContact O-N 3.45Å; L21-L24 PolarHBondContact O-N 2.84Å; L21-L25 HydrophobicContact CB-CD1 4.39Å; L21-L25 HydrophobicContact CD2-CD1 4.32Å; L21-L25 VanDerWaalsContact O-CB 3.27Å; L21-L25 WeakPolarHBondContact O-CB 3.36Å; L21-L25 WeakPolarHBondContact O-CG 3.38Å; L21-L25 PolarHBondContact O-N 3.03Å; L21-F129 HydrophobicContact CB-CE2 4.36Å
22N94.3Very high94.2Very high0 Ų048.2 Ų48.20%024%0.241CC..Hα-helixtrans-56.7-45.3174.3-64.9132.6000111Y18 R19 L24 L25 V26 F129Y18-N22 WeakPolarHBondContact CD1-OD1 3.29Å; Y18-N22 WeakPolarHBondContact CE1-OD1 3.29Å; Y18-N22 PolarHBondContact O-N 2.88Å; Y18-N22 PolarHBondContact O-OD1 3.27Å; R19-N22 WeakPolarHBondContact CD-OD1 3.47Å; R19-N22 PolarHBondContact NH1-OD1 3.43Å; R19-N22 VanDerWaalsContact NH1-OD1 3.14Å; R19-N22 WeakPolarHBondContact O-CB 3.41Å; R19-N22 PolarHBondContact O-N 3.07Å; N22-L24 VanDerWaalsContact C-N 3.35Å; N22-L24 PolarHBondContact O-N 2.84Å; N22-L25 PolarHBondContact O-N 3.4Å; N22-V26 WeakPolarHBondContact O-CB 3.33Å; N22-V26 VanDerWaalsContact O-CG2 3.28Å; N22-V26 WeakPolarHBondContact O-CG2 3.46Å; N22-V26 PolarHBondContact O-N 3.37Å; N22-F129 WeakPolarHBondContact ND2-CD2 3.28Å; N22-F129 WeakPolarHBondContact ND2-CE2 3.44Å; N22-F129 VanDerWaalsContact ND2-CG 3.29Å; N22-F129 WeakPolarHBondContact ND2-CG 3.06Å; N22-F129 PolarHBondContact ND2-O 3.04Å
23L91.1Very high94.2Very high46 Ų4648.5 Ų48.524%0.24124%0.239CC..Hα-helixtrans-66.1-35.2-179.7-66.1173.4000113.4R19 A20 L21 Q27 V88 P89 C92R19-L23 WeakPolarHBondContact O-CG 3.35Å; R19-L23 PolarHBondContact O-N 2.92Å; R19-L23 VanDerWaalsContact O-N 3.12Å; A20-L23 PolarHBondContact O-N 2.78Å; L21-L23 VanDerWaalsContact C-N 3.28Å; L21-L23 PolarHBondContact O-N 3.45Å; L23-Q27 PolarHBondContact O-NE2 3.42Å; L23-V88 HydrophobicContact CD2-CB 4.42Å; L23-V88 HydrophobicContact CD2-CG1 3.89Å; L23-P89 HydrophobicContact CD1-CB 3.91Å; L23-P89 HydrophobicContact CD1-CG 4.02Å; L23-P89 HydrophobicContact CD2-CB 4.28Å; L23-P89 HydrophobicContact CD2-CG 4.15Å; L23-C92 HydrophobicContact CD1-CB 4.41Å; L23-C92 VanDerWaalsContact CD2-SG 3.53Å
24L92.5Very high94.1Very high119 Ų11941.2 Ų41.262%0.62321%0.211SC*.Hα-helixtrans-77.9-35.5178.8-67.1173.3000112.4A20 L21 N22 Q27A20-L24 WeakPolarHBondContact O-CG 3.22Å; A20-L24 PolarHBondContact O-N 3.36Å; L21-L24 PolarHBondContact O-N 2.84Å; N22-L24 VanDerWaalsContact C-N 3.35Å; N22-L24 PolarHBondContact O-N 2.84Å; L24-Q27 WeakPolarHBondContact O-CG 3.22Å; L24-Q27 PolarHBondContact O-NE2 3.42Å
25L95.5Very high94.2Very high48 Ų4837.4 Ų37.425%0.25119%0.194SC..Hα-helixtrans-103.7-12.7-168.7-56.9178.5000114.4L21 N22 F129 L303 G306 L307L21-L25 HydrophobicContact CB-CD1 4.39Å; L21-L25 HydrophobicContact CD2-CD1 4.32Å; L21-L25 VanDerWaalsContact O-CB 3.27Å; L21-L25 WeakPolarHBondContact O-CB 3.36Å; L21-L25 WeakPolarHBondContact O-CG 3.38Å; L21-L25 PolarHBondContact O-N 3.03Å; N22-L25 PolarHBondContact O-N 3.4Å; L25-F129 HydrophobicContact CB-CE1 4.1Å; L25-F129 HydrophobicContact CB-CZ 3.96Å; L25-F129 HydrophobicContact CD1-CZ 3.99Å; L25-L303 HydrophobicContact CD1-CD2 3.99Å; L25-G306 CarbonylContact O-C 3.56Å; L25-G306 VanDerWaalsContact O-CA 3.28Å; L25-G306 WeakPolarHBondContact O-CA 3.37Å; L25-L307 HydrophobicContact CB-CD2 4.48Å; L25-L307 HydrophobicContact CD2-CD1 4.29Å; L25-L307 HydrophobicContact CD2-CD2 4.36Å; L25-L307 VanDerWaalsContact O-CD2 3.3Å; L25-L307 WeakPolarHBondContact O-CD2 3.45Å; L25-L307 WeakPolarHBondContact O-CG 3.46Å
26V95.1Very high94.2Very high12 Ų1237.5 Ų37.57%0.07320%0.195CC..  trans-99100.1173.1-177.10000108.7N22 F129 F130 R134N22-V26 WeakPolarHBondContact O-CB 3.33Å; N22-V26 VanDerWaalsContact O-CG2 3.28Å; N22-V26 WeakPolarHBondContact O-CG2 3.46Å; N22-V26 PolarHBondContact O-N 3.37Å; V26-F129 HydrophobicContact CG2-CD1 4.2Å; V26-F129 HydrophobicContact CG2-CE1 3.92Å; V26-F130 HydrophobicContact CG1-CD2 4.42Å; V26-R134 HydrophobicContact CG1-CG 4.25Å; V26-R134 VanDerWaalsContact CG1-NH2 3.35Å
27Q94Very high94.2Very high67 Ų6733.8 Ų33.831%0.31318%0.175SC..  trans-138.422.5-167.8-63-73.2-27.500112.4L23 L24 G306 L307 R311L23-Q27 PolarHBondContact O-NE2 3.42Å; L24-Q27 WeakPolarHBondContact O-CG 3.22Å; L24-Q27 PolarHBondContact O-NE2 3.42Å; Q27-G306 PolarHBondContact N-O 3.43Å; Q27-L307 HydrophobicContact CG-CD2 4.47Å; Q27-R311 WeakPolarHBondContact O-CD 3.45Å
28T95.8Very high94.1Very high2 Ų228 Ų281%0.01215%0.15CC..SBendtrans-123.2164.7-173.148.50000111R134 T305 G306 H309 R311T28-R134 VanDerWaalsContact O-CZ 3.27Å; T28-R134 PolarHBondContact O-NH1 3.04Å; T28-R134 PolarHBondContact O-NH2 3.47Å; T28-R134 PolarHBondContact OG1-NH2 3.17Å; T28-R134 VanDerWaalsContact OG1-NH2 3.07Å; T28-T305 WeakPolarHBondContact CB-O 3.42Å; T28-T305 WeakPolarHBondContact CG2-O 3.21Å; T28-T305 PolarHBondContact OG1-O 3.33Å; T28-G306 WeakPolarHBondContact CG2-O 3.41Å; T28-G306 PolarHBondContact OG1-O 2.84Å; T28-H309 WeakPolarHBondContact CB-O 3.19Å; T28-H309 WeakPolarHBondContact CG2-O 3.49Å; T28-R311 HydrophobicContact CG2-CB 4.1Å
29W95Very high94.1Very high14 Ų1427.4 Ų27.45%0.05315%0.148CC..  trans-75.2155.4169.4175.2-96.3000111.7P32 Y35 Q310 V313 H338 P341W29-P32 HydrophobicContact CZ2-CB 4.41Å; W29-P32 HydrophobicContact CZ2-CG 4.09Å; W29-Y35 HydrophobicContact CD2-CE2 4.28Å; W29-Y35 AromaticContact CE3-CD2 3.7Å; W29-Y35 HydrophobicContact CE3-CD2 3.7Å; W29-Y35 AromaticContact CE3-CE2 3.29Å; W29-Y35 HydrophobicContact CE3-CE2 3.29Å; W29-Y35 AromaticContact CH2-CD2 3.63Å; W29-Y35 HydrophobicContact CH2-CD2 3.63Å; W29-Y35 HydrophobicContact CH2-CE2 4.09Å; W29-Y35 AromaticContact CZ3-CD2 3.03Å; W29-Y35 HydrophobicContact CZ3-CD2 3.03Å; W29-Y35 AromaticContact CZ3-CE2 3.19Å; W29-Y35 HydrophobicContact CZ3-CE2 3.19Å; W29-Y35 AromaticContact CZ3-CG 4Å; W29-Y35 HydrophobicContact CZ3-CG 4Å; W29-Q310 HydrophobicContact CB-CB 4.09Å; W29-Q310 VanDerWaalsContact CD1-OE1 3.25Å; W29-Q310 PolarHBondContact N-O 2.7Å; W29-Q310 VanDerWaalsContact N-O 3.17Å; W29-Q310 PolarHBondContact O-OE1 2.89Å; W29-V313 HydrophobicContact CB-CB 3.73Å; W29-V313 HydrophobicContact CB-CG1 3.72Å; W29-V313 HydrophobicContact CB-CG2 4.19Å; W29-V313 HydrophobicContact CD2-CG1 3.79Å; W29-V313 HydrophobicContact CE3-CG1 3.66Å; W29-V313 HydrophobicContact CG-CB 4.19Å; W29-V313 HydrophobicContact CG-CG1 3.82Å; W29-V313 HydrophobicContact CG-CG2 4.34Å; W29-V313 HydrophobicContact CZ3-CG1 4.47Å; W29-H338 WeakPolarHBondContact CH2-O 3.18Å; W29-H338 WeakPolarHBondContact CZ2-O 3.49Å; W29-P341 HydrophobicContact CE3-CG 3.99Å; W29-P341 VanDerWaalsContact CZ3-CD 3.46Å; W29-P341 HydrophobicContact CZ3-CG 3.78Å
30F95Very high94.1Very high40 Ų4027.1 Ų27.118%0.17515%0.146CC..  trans-134.9-65.9172.5178.1-145.6000112.9F127 F130 L136 R259F30-F127 HydrophobicContact CE1-CE2 4.44Å; F30-F127 AromaticContact CZ-CE2 3.91Å; F30-F127 HydrophobicContact CZ-CE2 3.91Å; F30-F127 HydrophobicContact CZ-CZ 4.14Å; F30-F130 HydrophobicContact CB-CE1 3.89Å; F30-F130 HydrophobicContact CB-CZ 3.78Å; F30-F130 AromaticContact CD1-CE1 3.92Å; F30-F130 HydrophobicContact CD1-CE1 3.92Å; F30-F130 AromaticContact CD2-CE1 3.53Å; F30-F130 HydrophobicContact CD2-CE1 3.53Å; F30-F130 HydrophobicContact CD2-CZ 4.07Å; F30-F130 HydrophobicContact CE1-CE1 4.33Å; F30-F130 AromaticContact CE2-CE1 3.98Å; F30-F130 HydrophobicContact CE2-CE1 3.98Å; F30-F130 AromaticContact CG-CE1 3.5Å; F30-F130 HydrophobicContact CG-CE1 3.5Å; F30-F130 VanDerWaalsContact CG-CE1 3.5Å; F30-F130 AromaticContact CG-CZ 3.92Å; F30-F130 HydrophobicContact CG-CZ 3.92Å; F30-F130 HydrophobicContact CZ-CE1 4.36Å; F30-L136 HydrophobicContact CD1-CD1 3.97Å; F30-L136 HydrophobicContact CE1-CD1 4.01Å; F30-R259 HydrophobicContact CE1-CB 4.06Å; F30-R259 HydrophobicContact CZ-CB 4.3Å
31V94.7Very high94.3Very high14 Ų1425 Ų259%0.08513%0.129CC..  trans-142.6150.5-178.1-66.80000111.9D33 E34 L136V31-D33 VanDerWaalsContact C-N 3.28Å; V31-D33 HydrophobicContact CG2-CB 4.46Å; V31-D33 PolarHBondContact O-N 3.2Å; V31-E34 WeakPolarHBondContact O-CB 3.24Å; V31-E34 PolarHBondContact O-N 2.98Å; V31-L136 HydrophobicContact CG2-CD2 3.4Å
32P94.3Very high94.3Very high46 Ų4622.5 Ų22.530%0.29912%0.116SC..THydrogen-bonded Turntrans-49.8-43.5175.8-32.538.2000114.9W29 E34 Y35 W36 H338W29-P32 HydrophobicContact CZ2-CB 4.41Å; W29-P32 HydrophobicContact CZ2-CG 4.09Å; P32-E34 PolarHBondContact O-N 2.96Å; P32-Y35 PolarHBondContact O-N 3.48Å; P32-W36 VanDerWaalsContact O-CD1 3.3Å; P32-W36 PolarHBondContact O-N 3.27Å; P32-H338 HydrophobicContact CB-CB 3.71Å; P32-H338 HydrophobicContact CG-CB 4.02Å
33D92.3Very high94.4Very high27 Ų2722.5 Ų22.514%0.14412%0.116CC..Hα-helixtrans-57.1-25.8-175.3-71-133.5000114V31 Y35 Q37 R61 R259V31-D33 VanDerWaalsContact C-N 3.28Å; V31-D33 HydrophobicContact CG2-CB 4.46Å; V31-D33 PolarHBondContact O-N 3.2Å; D33-Y35 PolarHBondContact O-N 3.44Å; D33-Q37 HydrophobicContact CB-CB 4.34Å; D33-Q37 HydrophobicContact CB-CG 4.12Å; D33-Q37 WeakPolarHBondContact O-CB 3.32Å; D33-Q37 PolarHBondContact O-N 2.9Å; D33-R61 IonicContact OD1-CZ 2.69Å; D33-R61 IonicContact OD1-NH2 3.3Å; D33-R61 PolarHBondContact OD1-NH2 2.87Å; D33-R259 VanDerWaalsContact CB-NH1 3.26Å; D33-R259 VanDerWaalsContact CG-CZ 3.42Å; D33-R259 IonicContact OD1-CZ 2.89Å; D33-R259 IonicContact OD1-NH1 3.07Å; D33-R259 PolarHBondContact OD1-NH1 3.1Å; D33-R259 IonicContact OD1-NH2 3.5Å; D33-R259 PolarHBondContact OD1-NH2 3.22Å; D33-R259 IonicContact OD2-CZ 3.39Å; D33-R259 IonicContact OD2-NH1 2.75Å; D33-R259 IonicContact OD2-NH2 3.41Å; D33-R259 PolarHBondContact OD2-NH2 2.88Å; D33-R259 VanDerWaalsContact OD2-NH2 3.09Å
34E93.1Very high94.6Very high7 Ų725.2 Ų25.23%0.03312%0.123CC..Hα-helixtrans-57.2-34.2176.8-176.7173.3-165.500112.3V31 P32 R134 T135 L136V31-E34 WeakPolarHBondContact O-CB 3.24Å; V31-E34 PolarHBondContact O-N 2.98Å; P32-E34 PolarHBondContact O-N 2.96Å; E34-R134 HydrophobicContact CG-CB 4.42Å; E34-R134 VanDerWaalsContact OE1-CB 3.24Å; E34-R134 WeakPolarHBondContact OE1-CB 3.34Å; E34-R134 VanDerWaalsContact OE1-CG 3.23Å; E34-R134 WeakPolarHBondContact OE1-CG 3.23Å; E34-R134 IonicContact OE1-NH1 3.49Å; E34-R134 PolarHBondContact OE1-NH1 2.78Å; E34-R134 VanDerWaalsContact OE1-NH1 3.07Å; E34-R134 IonicContact OE2-CZ 2.96Å; E34-R134 IonicContact OE2-NH1 2.72Å; E34-R134 PolarHBondContact OE2-NH1 3.25Å; E34-T135 WeakPolarHBondContact CG-OG1 3.24Å; E34-T135 PolarHBondContact O-OG1 3.05Å; E34-L136 HydrophobicContact CB-CD2 3.77Å; E34-L136 HydrophobicContact CB-CG 4.47Å; E34-L136 HydrophobicContact CG-CD2 4.47Å
35Y94.1Very high94.7Very high9 Ų923.4 Ų23.44%0.03511%0.114CC..Iπ-helixtrans-113.9-53.6-174.6-52.1-84.8000111.1W29 P32 D33 Q37 T38 L39 E40 P341 H345W29-Y35 HydrophobicContact CD2-CE2 4.28Å; W29-Y35 AromaticContact CE3-CD2 3.7Å; W29-Y35 HydrophobicContact CE3-CD2 3.7Å; W29-Y35 AromaticContact CE3-CE2 3.29Å; W29-Y35 HydrophobicContact CE3-CE2 3.29Å; W29-Y35 AromaticContact CH2-CD2 3.63Å; W29-Y35 HydrophobicContact CH2-CD2 3.63Å; W29-Y35 HydrophobicContact CH2-CE2 4.09Å; W29-Y35 AromaticContact CZ3-CD2 3.03Å; W29-Y35 HydrophobicContact CZ3-CD2 3.03Å; W29-Y35 AromaticContact CZ3-CE2 3.19Å; W29-Y35 HydrophobicContact CZ3-CE2 3.19Å; W29-Y35 AromaticContact CZ3-CG 4Å; W29-Y35 HydrophobicContact CZ3-CG 4Å; P32-Y35 PolarHBondContact O-N 3.48Å; D33-Y35 PolarHBondContact O-N 3.44Å; Y35-Q37 VanDerWaalsContact C-N 3.26Å; Y35-Q37 PolarHBondContact O-N 3.02Å; Y35-T38 PolarHBondContact O-N 2.87Å; Y35-L39 HydrophobicContact CD1-CD1 3.95Å; Y35-L39 HydrophobicContact CE1-CD1 4.29Å; Y35-L39 PolarHBondContact O-N 2.98Å; Y35-E40 WeakPolarHBondContact O-CB 3.24Å; Y35-E40 PolarHBondContact O-N 3.16Å; Y35-P341 HydrophobicContact CD1-CB 3.9Å; Y35-P341 HydrophobicContact CD1-CG 4.06Å; Y35-P341 HydrophobicContact CD2-CG 4.31Å; Y35-P341 HydrophobicContact CE1-CB 4.25Å; Y35-P341 HydrophobicContact CE1-CG 3.97Å; Y35-P341 HydrophobicContact CE2-CG 4.21Å; Y35-P341 HydrophobicContact CG-CB 4.11Å; Y35-P341 HydrophobicContact CG-CG 4.22Å; Y35-H345 AromaticContact CD1-CE1 3.28Å; Y35-H345 WeakPolarHBondContact CD1-CE1 3.35Å; Y35-H345 AromaticContact CD1-ND1 3.79Å; Y35-H345 AromaticContact CD1-NE2 3.99Å; Y35-H345 AromaticContact CE1-CE1 3.21Å; Y35-H345 WeakPolarHBondContact CE1-CE1 3.22Å; Y35-H345 AromaticContact CE1-NE2 3.45Å; Y35-H345 WeakPolarHBondContact CE1-NE2 3.41Å
36W94.9Very high94.7Very high3 Ų322.4 Ų22.41%0.01111%0.11CC..Iπ-helixtrans-70.9-21.5-171.1-66.987.9000113.7P32 P41 Y51 T53 W56 H338 T340 F342 F354P32-W36 VanDerWaalsContact O-CD1 3.3Å; P32-W36 PolarHBondContact O-N 3.27Å; W36-P41 WeakPolarHBondContact O-CD 3.46Å; W36-Y51 AromaticContact CE3-CD1 3.97Å; W36-Y51 HydrophobicContact CE3-CD1 3.97Å; W36-Y51 AromaticContact CZ3-CD1 3.45Å; W36-Y51 HydrophobicContact CZ3-CD1 3.45Å; W36-Y51 VanDerWaalsContact CZ3-CD1 3.45Å; W36-Y51 HydrophobicContact CZ3-CE1 4.09Å; W36-Y51 AromaticContact CZ3-CG 3.9Å; W36-Y51 HydrophobicContact CZ3-CG 3.9Å; W36-T53 HydrophobicContact CB-CG2 4.08Å; W36-T53 HydrophobicContact CD2-CG2 4.43Å; W36-T53 HydrophobicContact CE3-CG2 3.72Å; W36-W56 PolarHBondContact O-NE1 2.93Å; W36-H338 HydrophobicContact CD2-CB 4.08Å; W36-H338 AromaticContact CD2-CG 3.95Å; W36-H338 AromaticContact CD2-ND1 3.18Å; W36-H338 AromaticContact CE2-ND1 3.47Å; W36-H338 AromaticContact CE3-CE1 3.78Å; W36-H338 AromaticContact CE3-ND1 3.23Å; W36-H338 HydrophobicContact CG-CB 4Å; W36-H338 AromaticContact CG-ND1 3.75Å; W36-H338 AromaticContact CH2-ND1 3.83Å; W36-H338 HydrophobicContact CZ2-CB 4.47Å; W36-H338 AromaticContact CZ2-ND1 3.79Å; W36-H338 AromaticContact CZ3-ND1 3.56Å; W36-H338 PolarHBondContact NE1-O 2.68Å; W36-T340 WeakPolarHBondContact CZ2-O 3.44Å; W36-T340 PolarHBondContact NE1-O 3.35Å; W36-F342 HydrophobicContact CH2-CB 3.82Å; W36-F342 AromaticContact CH2-CD1 3.92Å; W36-F342 HydrophobicContact CH2-CD1 3.92Å; W36-F342 HydrophobicContact CH2-CD2 4.3Å; W36-F342 AromaticContact CH2-CG 3.8Å; W36-F342 HydrophobicContact CH2-CG 3.8Å; W36-F342 HydrophobicContact CZ2-CB 3.86Å; W36-F342 HydrophobicContact CZ2-CG 4.23Å; W36-F342 HydrophobicContact CZ3-CB 4.49Å; W36-F342 HydrophobicContact CZ3-CD1 4.31Å; W36-F354 AromaticContact CH2-CD1 3.63Å; W36-F354 HydrophobicContact CH2-CD1 3.63Å; W36-F354 HydrophobicContact CH2-CD2 4.2Å; W36-F354 AromaticContact CH2-CE1 3.36Å; W36-F354 HydrophobicContact CH2-CE1 3.36Å; W36-F354 AromaticContact CH2-CE2 3.97Å; W36-F354 HydrophobicContact CH2-CE2 3.97Å; W36-F354 HydrophobicContact CH2-CG 4.06Å; W36-F354 AromaticContact CH2-CZ 3.54Å; W36-F354 HydrophobicContact CH2-CZ 3.54Å; W36-F354 HydrophobicContact CZ2-CE1 4.5Å; W36-F354 HydrophobicContact CZ3-CD1 4.34Å; W36-F354 AromaticContact CZ3-CE1 3.6Å; W36-F354 HydrophobicContact CZ3-CE1 3.6Å; W36-F354 HydrophobicContact CZ3-CE2 4.32Å; W36-F354 AromaticContact CZ3-CZ 3.6Å; W36-F354 HydrophobicContact CZ3-CZ 3.6Å
37Q93.7Very high94.7Very high16 Ų1624 Ų248%0.07512%0.116CC..Iπ-helixtrans-109.58.7178.7-52.9-58-25.800112.3D33 Y35 T53D33-Q37 HydrophobicContact CB-CB 4.34Å; D33-Q37 HydrophobicContact CB-CG 4.12Å; D33-Q37 WeakPolarHBondContact O-CB 3.32Å; D33-Q37 PolarHBondContact O-N 2.9Å; Y35-Q37 VanDerWaalsContact C-N 3.26Å; Y35-Q37 PolarHBondContact O-N 3.02Å; Q37-T53 PolarHBondContact NE2-OG1 2.9Å; Q37-T53 VanDerWaalsContact NE2-OG1 3.08Å
38T94.1Very high94.8Very high1 Ų124.1 Ų24.11%0.00614%0.135CC..Iπ-helixtrans-145.6-76.1-176.1-57.10000112Y35 A42 Y65 F69 T135Y35-T38 PolarHBondContact O-N 2.87Å; T38-A42 WeakPolarHBondContact O-CB 3.42Å; T38-A42 PolarHBondContact O-N 2.93Å; T38-A42 VanDerWaalsContact O-N 3.15Å; T38-Y65 HydrophobicContact CG2-CD1 4.08Å; T38-Y65 HydrophobicContact CG2-CE1 3.52Å; T38-Y65 WeakPolarHBondContact OG1-CE1 3.44Å; T38-F69 HydrophobicContact CG2-CD2 3.42Å; T38-F69 VanDerWaalsContact CG2-CD2 3.42Å; T38-F69 HydrophobicContact CG2-CE2 3.3Å; T38-F69 HydrophobicContact CG2-CG 4.17Å; T38-F69 HydrophobicContact CG2-CZ 3.98Å; T38-T135 PolarHBondContact OG1-O 2.94Å
39L94.2Very high94.8Very high1 Ų126.8 Ų26.81%0.00515%0.145CC..Iπ-helixtrans-71.5-34.3-171.8-66.3-179000113.2Y35 H43 F69 Y73 M87 T135Y35-L39 HydrophobicContact CD1-CD1 3.95Å; Y35-L39 HydrophobicContact CE1-CD1 4.29Å; Y35-L39 PolarHBondContact O-N 2.98Å; L39-H43 WeakPolarHBondContact O-CB 3.32Å; L39-H43 PolarHBondContact O-N 2.8Å; L39-F69 HydrophobicContact CD2-CB 4.24Å; L39-F69 HydrophobicContact CD2-CD1 3.56Å; L39-F69 HydrophobicContact CD2-CE1 4.06Å; L39-F69 HydrophobicContact CD2-CG 3.94Å; L39-Y73 HydrophobicContact CD2-CE2 4.42Å; L39-M87 HydrophobicContact CD2-CB 4.17Å; L39-M87 HydrophobicContact CD2-CG 4.49Å; L39-T135 HydrophobicContact CD1-CG2 4.24Å; L39-T135 HydrophobicContact CD2-CG2 4.19Å; L39-T135 HydrophobicContact CG-CG2 4.35Å
40E95.7Very high94.8Very high1 Ų127 Ų271%0.00515%0.151CC..Hα-helixtrans-71.3-49.4-178.8-173.867.7-158.900112.3Y35 A42 H43 R44 G50 Y51 Y343 S344Y35-E40 WeakPolarHBondContact O-CB 3.24Å; Y35-E40 PolarHBondContact O-N 3.16Å; E40-A42 VanDerWaalsContact C-N 3.31Å; E40-A42 PolarHBondContact O-N 2.94Å; E40-H43 PolarHBondContact O-N 3.21Å; E40-R44 PolarHBondContact O-N 3.49Å; E40-G50 WeakPolarHBondContact OE1-CA 3.34Å; E40-Y51 WeakPolarHBondContact CG-O 3.07Å; E40-Y51 PolarHBondContact OE1-N 3.32Å; E40-Y343 WeakPolarHBondContact OE1-CB 3.43Å; E40-Y343 WeakPolarHBondContact OE1-CD2 3.43Å; E40-Y343 PolarHBondContact OE2-N 3.12Å; E40-S344 WeakPolarHBondContact OE2-CB 3.36Å; E40-S344 PolarHBondContact OE2-N 3.37Å; E40-S344 PolarHBondContact OE2-OG 3.5Å
41P96.3Very high94.8Very high0 Ų027.6 Ų27.60%015%0.153CC..Hα-helixtrans-57.9-41.6169.4-24.232.9000112.8W36 R44 L45 L52 W56 P66W36-P41 WeakPolarHBondContact O-CD 3.46Å; P41-R44 PolarHBondContact O-N 2.9Å; P41-L45 VanDerWaalsContact O-CG 3.3Å; P41-L45 WeakPolarHBondContact O-CG 3.35Å; P41-L45 PolarHBondContact O-N 3.48Å; P41-L52 HydrophobicContact CB-CD2 3.7Å; P41-L52 HydrophobicContact CG-CD2 3.96Å; P41-W56 HydrophobicContact CB-CZ2 4.06Å; P41-W56 HydrophobicContact CG-CD2 4.22Å; P41-W56 VanDerWaalsContact CG-CE2 3.41Å; P41-W56 HydrophobicContact CG-CH2 4.46Å; P41-W56 HydrophobicContact CG-CZ2 3.56Å; P41-P66 HydrophobicContact CB-CB 4.14Å; P41-P66 HydrophobicContact CB-CG 4.25Å
42A95.1Very high94.7Very high0 Ų028.3 Ų28.30%016%0.156CC..Hα-helixtrans-63.4-42.7178.700000112.8T38 E40 L45 T46 P66 F69 A70 Y73T38-A42 WeakPolarHBondContact O-CB 3.42Å; T38-A42 PolarHBondContact O-N 2.93Å; T38-A42 VanDerWaalsContact O-N 3.15Å; E40-A42 VanDerWaalsContact C-N 3.31Å; E40-A42 PolarHBondContact O-N 2.94Å; A42-L45 PolarHBondContact O-N 3.33Å; A42-T46 PolarHBondContact O-N 2.92Å; A42-T46 PolarHBondContact O-OG1 3.39Å; A42-P66 HydrophobicContact CB-CB 4.17Å; A42-P66 VanDerWaalsContact CB-O 3.27Å; A42-P66 WeakPolarHBondContact CB-O 3.21Å; A42-F69 HydrophobicContact CB-CB 3.62Å; A42-A70 HydrophobicContact CB-CB 4.26Å; A42-Y73 HydrophobicContact CB-CD2 4.03Å; A42-Y73 HydrophobicContact CB-CE2 3.94Å
43H95.3Very high94.7Very high0 Ų026.1 Ų26.10%014%0.142CC..Hα-helixtrans-60.8-49.4174.7177.8-70.7000110.1L39 E40 L45 T46 F47 Y49 Y73 H347L39-H43 WeakPolarHBondContact O-CB 3.32Å; L39-H43 PolarHBondContact O-N 2.8Å; E40-H43 PolarHBondContact O-N 3.21Å; H43-L45 VanDerWaalsContact C-N 3.34Å; H43-L45 PolarHBondContact O-N 3.31Å; H43-T46 PolarHBondContact O-N 2.98Å; H43-F47 HydrophobicContact CB-CD2 4.48Å; H43-F47 AromaticContact CD2-CD2 3.48Å; H43-F47 VanDerWaalsContact CD2-CD2 3.48Å; H43-F47 WeakPolarHBondContact CD2-CD2 3.5Å; H43-F47 AromaticContact CD2-CE2 3.71Å; H43-F47 AromaticContact CE1-CD2 3.61Å; H43-F47 AromaticContact CG-CD2 3.74Å; H43-F47 AromaticContact ND1-CD2 3.84Å; H43-F47 AromaticContact NE2-CD2 3.4Å; H43-F47 WeakPolarHBondContact NE2-CD2 3.4Å; H43-F47 AromaticContact NE2-CE2 3.92Å; H43-F47 VanDerWaalsContact O-CD2 3.3Å; H43-F47 WeakPolarHBondContact O-CD2 3.25Å; H43-F47 PolarHBondContact O-N 2.95Å; H43-Y49 AromaticContact CE1-CD2 3.84Å; H43-Y49 AromaticContact CE1-CE2 3.32Å; H43-Y49 WeakPolarHBondContact CE1-CE2 3.27Å; H43-Y49 AromaticContact CE1-CZ 3.45Å; H43-Y49 VanDerWaalsContact CE1-CZ 3.45Å; H43-Y49 PolarHBondContact CE1-O 2.92Å; H43-Y49 PolarHBondContact ND1-O 3.04Å; H43-Y49 AromaticContact NE2-CZ 3.93Å; H43-Y73 HydrophobicContact CB-CE2 4.05Å; H43-H347 AromaticContact CD2-ND1 3.54Å; H43-H347 AromaticContact NE2-CE1 3.84Å; H43-H347 AromaticContact NE2-ND1 3.32Å; H43-H347 PolarHBondContact NE2-ND1 3.47Å
44R96.2Very high94.6Very high103 Ų10325.9 Ų25.939%0.38914%0.139SC..Hα-helixtrans-57.7-44.2177.9-172.8-176.7174.8159.9-4.1113E40 P41 T46 G48 Y49 L52E40-R44 PolarHBondContact O-N 3.49Å; P41-R44 PolarHBondContact O-N 2.9Å; R44-T46 PolarHBondContact O-N 2.77Å; R44-G48 WeakPolarHBondContact O-CA 3.48Å; R44-G48 PolarHBondContact O-N 2.84Å; R44-Y49 VanDerWaalsContact CA-O 3.27Å; R44-Y49 WeakPolarHBondContact CA-O 3.3Å; R44-L52 VanDerWaalsContact NH1-CG 3.32Å
45L95.6Very high94.5Very high80 Ų8026.5 Ų26.542%0.41914%0.142SC..Hα-helixtrans-60.2-32.5176.7-73.7171.8000112.5P41 A42 H43 Y63 A70P41-L45 VanDerWaalsContact O-CG 3.3Å; P41-L45 WeakPolarHBondContact O-CG 3.35Å; P41-L45 PolarHBondContact O-N 3.48Å; A42-L45 PolarHBondContact O-N 3.33Å; H43-L45 VanDerWaalsContact C-N 3.34Å; H43-L45 PolarHBondContact O-N 3.31Å; L45-Y63 HydrophobicContact CD1-CD1 3.87Å; L45-Y63 HydrophobicContact CD1-CE1 4.15Å; L45-A70 HydrophobicContact CB-CB 4.17Å; L45-A70 HydrophobicContact CD1-CB 4.43Å
46T95.4Very high94.4Very high28 Ų2826.5 Ų26.517%0.17214%0.142CC..Hα-helixtrans-88.3-42.2-174-51.20000113.1A42 H43 R44 A70 K74A42-T46 PolarHBondContact O-N 2.92Å; A42-T46 PolarHBondContact O-OG1 3.39Å; H43-T46 PolarHBondContact O-N 2.98Å; R44-T46 PolarHBondContact O-N 2.77Å; T46-A70 VanDerWaalsContact OG1-CA 3.31Å; T46-A70 WeakPolarHBondContact OG1-CA 3.37Å; T46-A70 WeakPolarHBondContact OG1-CB 3.43Å; T46-A70 PolarHBondContact OG1-O 2.87Å; T46-K74 HydrophobicContact CG2-CB 4.04Å; T46-K74 HydrophobicContact CG2-CD 4.19Å
47F95.2Very high94.1Very high46 Ų4632.5 Ų32.520%0.20217%0.17CC..Hα-helixtrans-106.8-8-171.4-57.4-73.4000113.8H43 Y49 Y73 Y77 D82 H347H43-F47 HydrophobicContact CB-CD2 4.48Å; H43-F47 AromaticContact CD2-CD2 3.48Å; H43-F47 VanDerWaalsContact CD2-CD2 3.48Å; H43-F47 WeakPolarHBondContact CD2-CD2 3.5Å; H43-F47 AromaticContact CD2-CE2 3.71Å; H43-F47 AromaticContact CE1-CD2 3.61Å; H43-F47 AromaticContact CG-CD2 3.74Å; H43-F47 AromaticContact ND1-CD2 3.84Å; H43-F47 AromaticContact NE2-CD2 3.4Å; H43-F47 WeakPolarHBondContact NE2-CD2 3.4Å; H43-F47 AromaticContact NE2-CE2 3.92Å; H43-F47 VanDerWaalsContact O-CD2 3.3Å; H43-F47 WeakPolarHBondContact O-CD2 3.25Å; H43-F47 PolarHBondContact O-N 2.95Å; F47-Y49 VanDerWaalsContact C-N 3.25Å; F47-Y49 HydrophobicContact CB-CD1 3.96Å; F47-Y49 HydrophobicContact CB-CE1 3.65Å; F47-Y49 WeakPolarHBondContact O-CD1 3.48Å; F47-Y49 PolarHBondContact O-N 2.82Å; F47-Y73 AromaticContact CE2-CD1 3.56Å; F47-Y73 HydrophobicContact CE2-CD1 3.56Å; F47-Y73 HydrophobicContact CE2-CE1 4.3Å; F47-Y73 AromaticContact CE2-CG 3.79Å; F47-Y73 HydrophobicContact CE2-CG 3.79Å; F47-Y73 AromaticContact CZ-CD1 4Å; F47-Y73 HydrophobicContact CZ-CD1 4Å; F47-Y73 HydrophobicContact CZ-CG 4.33Å; F47-Y77 AromaticContact CE1-CD2 3.83Å; F47-Y77 HydrophobicContact CE1-CD2 3.83Å; F47-Y77 HydrophobicContact CE1-CG 4.1Å; F47-D82 HydrophobicContact CZ-CB 4.32Å; F47-H347 AromaticContact CE2-CE1 3.6Å; F47-H347 AromaticContact CZ-CE1 3.54Å
48G95.6Very high93.9Very high69 Ų6937.2 Ų37.271%0.71119%0.192SC*.SBendtrans81.8-5.817800000115R44R44-G48 WeakPolarHBondContact O-CA 3.48Å; R44-G48 PolarHBondContact O-N 2.84Å
49Y95.2Very high93.8Very high57 Ų5737.2 Ų37.222%0.22419%0.192CC..  trans-129.6150.6173.369.2-86.3000111.3H43 R44 F47 Y343 A348 P349H43-Y49 AromaticContact CE1-CD2 3.84Å; H43-Y49 AromaticContact CE1-CE2 3.32Å; H43-Y49 WeakPolarHBondContact CE1-CE2 3.27Å; H43-Y49 AromaticContact CE1-CZ 3.45Å; H43-Y49 VanDerWaalsContact CE1-CZ 3.45Å; H43-Y49 PolarHBondContact CE1-O 2.92Å; H43-Y49 PolarHBondContact ND1-O 3.04Å; H43-Y49 AromaticContact NE2-CZ 3.93Å; R44-Y49 VanDerWaalsContact CA-O 3.27Å; R44-Y49 WeakPolarHBondContact CA-O 3.3Å; F47-Y49 VanDerWaalsContact C-N 3.25Å; F47-Y49 HydrophobicContact CB-CD1 3.96Å; F47-Y49 HydrophobicContact CB-CE1 3.65Å; F47-Y49 WeakPolarHBondContact O-CD1 3.48Å; F47-Y49 PolarHBondContact O-N 2.82Å; Y49-Y343 AromaticContact CD2-CD1 3.56Å; Y49-Y343 HydrophobicContact CD2-CD1 3.56Å; Y49-Y343 HydrophobicContact CD2-CE1 4.02Å; Y49-Y343 HydrophobicContact CD2-CG 4.09Å; Y49-Y343 AromaticContact CE2-CD1 3.68Å; Y49-Y343 HydrophobicContact CE2-CD1 3.68Å; Y49-Y343 HydrophobicContact CE2-CE1 4.39Å; Y49-Y343 HydrophobicContact CE2-CG 4.34Å; Y49-A348 WeakPolarHBondContact CE2-O 3.36Å; Y49-P349 HydrophobicContact CD1-CB 4.23Å; Y49-P349 HydrophobicContact CD2-CB 4.4Å; Y49-P349 HydrophobicContact CE1-CB 4.07Å; Y49-P349 HydrophobicContact CE2-CB 4.25Å; Y49-P349 HydrophobicContact CG-CB 4.4Å
50G94.5Very high93.7Very high18 Ų1837.7 Ų37.719%0.18620%0.195CC..  trans146.2175.8-172.800000110.9E40E40-G50 WeakPolarHBondContact OE1-CA 3.34Å
51Y94.5Very high93.6Very high53 Ų5340.4 Ų40.421%0.20821%0.205CC..  trans-105.9143.7-179.2-165.1-91.8000112.1W36 E40 T53 F354 M358W36-Y51 AromaticContact CE3-CD1 3.97Å; W36-Y51 HydrophobicContact CE3-CD1 3.97Å; W36-Y51 AromaticContact CZ3-CD1 3.45Å; W36-Y51 HydrophobicContact CZ3-CD1 3.45Å; W36-Y51 VanDerWaalsContact CZ3-CD1 3.45Å; W36-Y51 HydrophobicContact CZ3-CE1 4.09Å; W36-Y51 AromaticContact CZ3-CG 3.9Å; W36-Y51 HydrophobicContact CZ3-CG 3.9Å; E40-Y51 WeakPolarHBondContact CG-O 3.07Å; E40-Y51 PolarHBondContact OE1-N 3.32Å; Y51-T53 HydrophobicContact CD1-CG2 4.25Å; Y51-T53 HydrophobicContact CE1-CG2 4.22Å; Y51-F354 HydrophobicContact CD1-CE1 4.2Å; Y51-F354 HydrophobicContact CD1-CZ 4.26Å; Y51-F354 HydrophobicContact CD2-CE1 4.04Å; Y51-F354 AromaticContact CE1-CE1 3.99Å; Y51-F354 HydrophobicContact CE1-CE1 3.99Å; Y51-F354 AromaticContact CE1-CZ 3.75Å; Y51-F354 HydrophobicContact CE1-CZ 3.75Å; Y51-F354 AromaticContact CE2-CE1 3.86Å; Y51-F354 HydrophobicContact CE2-CE1 3.86Å; Y51-F354 HydrophobicContact CE2-CZ 4.3Å; Y51-F354 HydrophobicContact CG-CE1 4.19Å; Y51-F354 AromaticContact CZ-CE1 3.82Å; Y51-F354 AromaticContact CZ-CZ 3.78Å; Y51-M358 WeakPolarHBondContact OH-CE 3.48Å
52L94.6Very high93.5Very high29 Ų2942 Ų4215%0.15222%0.216CC..  trans-118.7124.9167-71.6175.7000107.9P41 R44 W56P41-L52 HydrophobicContact CB-CD2 3.7Å; P41-L52 HydrophobicContact CG-CD2 3.96Å; R44-L52 VanDerWaalsContact NH1-CG 3.32Å; L52-W56 HydrophobicContact CB-CB 4.07Å; L52-W56 HydrophobicContact CB-CG 4.44Å; L52-W56 HydrophobicContact CD2-CB 4.18Å; L52-W56 HydrophobicContact CD2-CD2 4.31Å; L52-W56 HydrophobicContact CD2-CG 3.91Å; L52-W56 HydrophobicContact CG-CB 4.47Å
53T93.5Very high93.6Very high1 Ų142.6 Ų42.61%0.00622%0.218CC..  trans-69.4166.1175.569.30000111.1W36 Q37 Y51 E55 W56W36-T53 HydrophobicContact CB-CG2 4.08Å; W36-T53 HydrophobicContact CD2-CG2 4.43Å; W36-T53 HydrophobicContact CE3-CG2 3.72Å; Q37-T53 PolarHBondContact NE2-OG1 2.9Å; Q37-T53 VanDerWaalsContact NE2-OG1 3.08Å; Y51-T53 HydrophobicContact CD1-CG2 4.25Å; Y51-T53 HydrophobicContact CE1-CG2 4.22Å; T53-E55 WeakPolarHBondContact CB-OE2 3.42Å; T53-E55 PolarHBondContact O-N 2.81Å; T53-E55 PolarHBondContact OG1-OE2 3.06Å; T53-W56 WeakPolarHBondContact O-CB 3.41Å; T53-W56 PolarHBondContact O-N 3.1Å
54W89.5Confident93.5Very high22 Ų2244.5 Ų44.58%0.08323%0.232CC..G310 helixtrans-59.9-27.8-177.667.7-87.8000112.2W56 Q57 E58 L60 F192 F202 P359W54-W56 PolarHBondContact O-N 3.11Å; W54-Q57 WeakPolarHBondContact O-CA 3.45Å; W54-Q57 WeakPolarHBondContact O-CB 3.47Å; W54-Q57 PolarHBondContact O-N 3.22Å; W54-E58 HydrophobicContact CE3-CG 4.02Å; W54-E58 HydrophobicContact CZ3-CG 4.27Å; W54-E58 PolarHBondContact O-N 3.26Å; W54-L60 HydrophobicContact CE3-CD1 4.38Å; W54-L60 HydrophobicContact CH2-CD1 3.47Å; W54-L60 VanDerWaalsContact CH2-CD1 3.47Å; W54-L60 HydrophobicContact CZ3-CD1 3.39Å; W54-F192 HydrophobicContact CH2-CD1 4.08Å; W54-F192 HydrophobicContact CH2-CD2 4.16Å; W54-F192 AromaticContact CH2-CE1 3.48Å; W54-F192 HydrophobicContact CH2-CE1 3.48Å; W54-F192 VanDerWaalsContact CH2-CE1 3.48Å; W54-F192 AromaticContact CH2-CE2 3.56Å; W54-F192 HydrophobicContact CH2-CE2 3.56Å; W54-F192 HydrophobicContact CH2-CG 4.4Å; W54-F192 AromaticContact CH2-CZ 3.19Å; W54-F192 HydrophobicContact CH2-CZ 3.19Å; W54-F192 HydrophobicContact CZ2-CE1 4.28Å; W54-F192 HydrophobicContact CZ2-CZ 4.01Å; W54-F192 HydrophobicContact CZ3-CD2 4.08Å; W54-F192 HydrophobicContact CZ3-CE1 4.34Å; W54-F192 AromaticContact CZ3-CE2 3.63Å; W54-F192 HydrophobicContact CZ3-CE2 3.63Å; W54-F192 AromaticContact CZ3-CZ 3.79Å; W54-F192 HydrophobicContact CZ3-CZ 3.79Å; W54-F202 HydrophobicContact CZ2-CE2 4.28Å; W54-F202 AromaticContact CZ2-CZ 3.78Å; W54-F202 HydrophobicContact CZ2-CZ 3.78Å; W54-P359 HydrophobicContact CD2-CG 3.52Å; W54-P359 HydrophobicContact CE3-CG 3.73Å; W54-P359 HydrophobicContact CG-CG 4.1Å; W54-P359 HydrophobicContact CH2-CG 4.15Å; W54-P359 HydrophobicContact CZ2-CG 3.94Å; W54-P359 HydrophobicContact CZ3-CG 4.02Å
55E90.9Very high93.3Very high20 Ų2040.8 Ų40.89%0.09322%0.218CC..G310 helixtrans-59.7-33175.2-64.888.4158.100113T53 Q57 G59 L60 R61T53-E55 WeakPolarHBondContact CB-OE2 3.42Å; T53-E55 PolarHBondContact O-N 2.81Å; T53-E55 PolarHBondContact OG1-OE2 3.06Å; E55-Q57 VanDerWaalsContact C-N 3.32Å; E55-G59 PolarHBondContact O-N 3.31Å; E55-L60 HydrophobicContact CB-CB 4.16Å; E55-L60 HydrophobicContact CB-CD1 4.19Å; E55-L60 HydrophobicContact CG-CD1 4.03Å; E55-L60 PolarHBondContact O-N 3.34Å; E55-R61 HydrophobicContact CB-CG 4.25Å
56W93.2Very high93.3Very high8 Ų837 Ų373%0.0320%0.199CC..G310 helixtrans-79.7-14.9174.7-63.296.3000112.6W36 P41 L52 T53 W54 R61 Y63 P66 Y179W36-W56 PolarHBondContact O-NE1 2.93Å; P41-W56 HydrophobicContact CB-CZ2 4.06Å; P41-W56 HydrophobicContact CG-CD2 4.22Å; P41-W56 VanDerWaalsContact CG-CE2 3.41Å; P41-W56 HydrophobicContact CG-CH2 4.46Å; P41-W56 HydrophobicContact CG-CZ2 3.56Å; L52-W56 HydrophobicContact CB-CB 4.07Å; L52-W56 HydrophobicContact CB-CG 4.44Å; L52-W56 HydrophobicContact CD2-CB 4.18Å; L52-W56 HydrophobicContact CD2-CD2 4.31Å; L52-W56 HydrophobicContact CD2-CG 3.91Å; L52-W56 HydrophobicContact CG-CB 4.47Å; T53-W56 WeakPolarHBondContact O-CB 3.41Å; T53-W56 PolarHBondContact O-N 3.1Å; W54-W56 PolarHBondContact O-N 3.11Å; W56-R61 HydrophobicContact CD2-CB 4.37Å; W56-R61 HydrophobicContact CE3-CB 4.16Å; W56-R61 HydrophobicContact CH2-CB 3.58Å; W56-R61 HydrophobicContact CH2-CG 4.47Å; W56-R61 HydrophobicContact CZ2-CB 3.84Å; W56-R61 HydrophobicContact CZ2-CG 4.25Å; W56-R61 HydrophobicContact CZ3-CB 3.78Å; W56-Y63 HydrophobicContact CD2-CE1 4.46Å; W56-Y63 HydrophobicContact CE3-CD1 4.04Å; W56-Y63 HydrophobicContact CE3-CD2 4.15Å; W56-Y63 AromaticContact CE3-CE1 3.57Å; W56-Y63 HydrophobicContact CE3-CE1 3.57Å; W56-Y63 AromaticContact CE3-CE2 3.7Å; W56-Y63 HydrophobicContact CE3-CE2 3.7Å; W56-Y63 HydrophobicContact CE3-CG 4.31Å; W56-Y63 AromaticContact CE3-CZ 3.38Å; W56-Y63 HydrophobicContact CH2-CD1 4.4Å; W56-Y63 AromaticContact CZ3-CD1 3.59Å; W56-Y63 HydrophobicContact CZ3-CD1 3.59Å; W56-Y63 AromaticContact CZ3-CD2 3.92Å; W56-Y63 HydrophobicContact CZ3-CD2 3.92Å; W56-Y63 AromaticContact CZ3-CE1 3.63Å; W56-Y63 HydrophobicContact CZ3-CE1 3.63Å; W56-Y63 AromaticContact CZ3-CE2 3.96Å; W56-Y63 HydrophobicContact CZ3-CE2 3.96Å; W56-Y63 AromaticContact CZ3-CG 3.75Å; W56-Y63 HydrophobicContact CZ3-CG 3.75Å; W56-Y63 AromaticContact CZ3-CZ 3.81Å; W56-P66 HydrophobicContact CH2-CG 3.36Å; W56-P66 HydrophobicContact CZ2-CG 3.87Å; W56-P66 HydrophobicContact CZ3-CG 4.22Å; W56-Y179 WeakPolarHBondContact O-CE1 3.33Å
57Q88.3Confident93.2Very high129 Ų12937.3 Ų37.360%0.60320%0.201SC*.THydrogen-bonded Turntrans-83.1-38172.2-59.5176.60.900109.8W54 E55 G59W54-Q57 WeakPolarHBondContact O-CA 3.45Å; W54-Q57 WeakPolarHBondContact O-CB 3.47Å; W54-Q57 PolarHBondContact O-N 3.22Å; E55-Q57 VanDerWaalsContact C-N 3.32Å; Q57-G59 VanDerWaalsContact C-N 3.29Å; Q57-G59 PolarHBondContact O-N 3.43Å
58E88.1Confident93.1Very high115 Ų11539.8 Ų39.854%0.53722%0.22SC..THydrogen-bonded Turntrans-82.90.5178.5-66.3-60.9129.100114.2W54 L60W54-E58 HydrophobicContact CE3-CG 4.02Å; W54-E58 HydrophobicContact CZ3-CG 4.27Å; W54-E58 PolarHBondContact O-N 3.26Å; E58-L60 VanDerWaalsContact C-N 3.3Å; E58-L60 HydrophobicContact CB-CD1 4.29Å; E58-L60 HydrophobicContact CB-CG 3.94Å; E58-L60 PolarHBondContact O-N 3.04Å
59G92.4Very high93Very high1 Ų136.7 Ų36.71%0.0119%0.187CC..THydrogen-bonded Turntrans63.732.7179.500000113.9E55 Q57 R61 Y179 P185 N188E55-G59 PolarHBondContact O-N 3.31Å; Q57-G59 VanDerWaalsContact C-N 3.29Å; Q57-G59 PolarHBondContact O-N 3.43Å; G59-R61 VanDerWaalsContact C-N 3.34Å; G59-Y179 WeakPolarHBondContact CA-OH 3.41Å; G59-P185 WeakPolarHBondContact O-CA 3.45Å; G59-N188 PolarHBondContact O-ND2 3.49Å
60L91.9Very high92.9Very high11 Ų1134.6 Ų34.66%0.05818%0.181CC..  trans-80.1-14-177.8-65.8178.2000113.8W54 E55 E58 N188 F192W54-L60 HydrophobicContact CE3-CD1 4.38Å; W54-L60 HydrophobicContact CH2-CD1 3.47Å; W54-L60 VanDerWaalsContact CH2-CD1 3.47Å; W54-L60 HydrophobicContact CZ3-CD1 3.39Å; E55-L60 HydrophobicContact CB-CB 4.16Å; E55-L60 HydrophobicContact CB-CD1 4.19Å; E55-L60 HydrophobicContact CG-CD1 4.03Å; E55-L60 PolarHBondContact O-N 3.34Å; E58-L60 VanDerWaalsContact C-N 3.3Å; E58-L60 HydrophobicContact CB-CD1 4.29Å; E58-L60 HydrophobicContact CB-CG 3.94Å; E58-L60 PolarHBondContact O-N 3.04Å; L60-N188 HydrophobicContact CD2-CB 3.82Å; L60-N188 WeakPolarHBondContact CD2-O 3.49Å; L60-F192 HydrophobicContact CD1-CB 4.25Å; L60-F192 HydrophobicContact CD1-CD1 4.13Å; L60-F192 HydrophobicContact CD1-CD2 4.44Å; L60-F192 HydrophobicContact CD1-CG 4Å; L60-F192 HydrophobicContact CD2-CB 3.66Å; L60-F192 HydrophobicContact CD2-CG 4.31Å
61R94.2Very high92.9Very high58 Ų5836.3 Ų36.322%0.21919%0.193CC..SBendtrans-124.2146.9-175.1-56.6-63.3-169.9158.79.2110.5D33 E55 W56 G59 Y179D33-R61 IonicContact OD1-CZ 2.69Å; D33-R61 IonicContact OD1-NH2 3.3Å; D33-R61 PolarHBondContact OD1-NH2 2.87Å; E55-R61 HydrophobicContact CB-CG 4.25Å; W56-R61 HydrophobicContact CD2-CB 4.37Å; W56-R61 HydrophobicContact CE3-CB 4.16Å; W56-R61 HydrophobicContact CH2-CB 3.58Å; W56-R61 HydrophobicContact CH2-CG 4.47Å; W56-R61 HydrophobicContact CZ2-CB 3.84Å; W56-R61 HydrophobicContact CZ2-CG 4.25Å; W56-R61 HydrophobicContact CZ3-CB 3.78Å; G59-R61 VanDerWaalsContact C-N 3.34Å; R61-Y179 WeakPolarHBondContact O-CE2 3.46Å; R61-Y179 PolarHBondContact O-OH 3.26Å
62S94.9Very high92.7Very high34 Ų3435.9 Ų35.924%0.23820%0.195CC..  trans-84.9135.6171.4-1770000110.1S64 P66 D175S62-S64 WeakPolarHBondContact CB-OG 3.44Å; S62-S64 PolarHBondContact O-N 3.4Å; S62-S64 WeakPolarHBondContact OG-CB 3.36Å; S62-S64 PolarHBondContact OG-N 2.92Å; S62-S64 PolarHBondContact OG-OG 3.44Å; S62-P66 WeakPolarHBondContact O-CD 3.33Å; S62-D175 VanDerWaalsContact CA-OD1 3.27Å; S62-D175 WeakPolarHBondContact CA-OD1 3.48Å; S62-D175 WeakPolarHBondContact CB-OD2 3.46Å; S62-D175 VanDerWaalsContact OG-CG 3.3Å; S62-D175 PolarHBondContact OG-OD1 3.09Å; S62-D175 PolarHBondContact OG-OD2 3.48Å
63Y95.9Very high92.7Very high12 Ų1234.6 Ų34.65%0.04719%0.188CC..THydrogen-bonded Turntrans-71.6-14.2172.1-83.2-76.8000112.8L45 W56 Y65 P66 C67 D175 C178 Y179L45-Y63 HydrophobicContact CD1-CD1 3.87Å; L45-Y63 HydrophobicContact CD1-CE1 4.15Å; W56-Y63 HydrophobicContact CD2-CE1 4.46Å; W56-Y63 HydrophobicContact CE3-CD1 4.04Å; W56-Y63 HydrophobicContact CE3-CD2 4.15Å; W56-Y63 AromaticContact CE3-CE1 3.57Å; W56-Y63 HydrophobicContact CE3-CE1 3.57Å; W56-Y63 AromaticContact CE3-CE2 3.7Å; W56-Y63 HydrophobicContact CE3-CE2 3.7Å; W56-Y63 HydrophobicContact CE3-CG 4.31Å; W56-Y63 AromaticContact CE3-CZ 3.38Å; W56-Y63 HydrophobicContact CH2-CD1 4.4Å; W56-Y63 AromaticContact CZ3-CD1 3.59Å; W56-Y63 HydrophobicContact CZ3-CD1 3.59Å; W56-Y63 AromaticContact CZ3-CD2 3.92Å; W56-Y63 HydrophobicContact CZ3-CD2 3.92Å; W56-Y63 AromaticContact CZ3-CE1 3.63Å; W56-Y63 HydrophobicContact CZ3-CE1 3.63Å; W56-Y63 AromaticContact CZ3-CE2 3.96Å; W56-Y63 HydrophobicContact CZ3-CE2 3.96Å; W56-Y63 AromaticContact CZ3-CG 3.75Å; W56-Y63 HydrophobicContact CZ3-CG 3.75Å; W56-Y63 AromaticContact CZ3-CZ 3.81Å; Y63-Y65 PolarHBondContact O-N 3.02Å; Y63-Y65 VanDerWaalsContact O-N 3.1Å; Y63-P66 WeakPolarHBondContact O-CD 3.47Å; Y63-C67 VanDerWaalsContact O-CB 3.26Å; Y63-C67 WeakPolarHBondContact O-CB 3.42Å; Y63-C67 PolarHBondContact O-N 2.97Å; Y63-C67 PolarHBondContact O-SG 2.92Å; Y63-D175 PolarHBondContact N-OD1 2.71Å; Y63-C178 HydrophobicContact CD1-CB 3.89Å; Y63-C178 HydrophobicContact CD2-CB 3.21Å; Y63-C178 HydrophobicContact CE1-CB 4.23Å; Y63-C178 HydrophobicContact CE2-CB 3.6Å; Y63-C178 HydrophobicContact CG-CB 3.36Å; Y63-Y179 AromaticContact CD2-CD2 3.59Å; Y63-Y179 HydrophobicContact CD2-CD2 3.59Å; Y63-Y179 HydrophobicContact CD2-CE1 4.32Å; Y63-Y179 AromaticContact CD2-CE2 3.28Å; Y63-Y179 HydrophobicContact CD2-CE2 3.28Å; Y63-Y179 HydrophobicContact CD2-CG 4.23Å; Y63-Y179 AromaticContact CD2-CZ 3.68Å; Y63-Y179 AromaticContact CE2-CD1 3.84Å; Y63-Y179 HydrophobicContact CE2-CD1 3.84Å; Y63-Y179 AromaticContact CE2-CD2 3.68Å; Y63-Y179 HydrophobicContact CE2-CD2 3.68Å; Y63-Y179 AromaticContact CE2-CE1 3.58Å; Y63-Y179 HydrophobicContact CE2-CE1 3.58Å; Y63-Y179 AromaticContact CE2-CE2 3.42Å; Y63-Y179 HydrophobicContact CE2-CE2 3.42Å; Y63-Y179 VanDerWaalsContact CE2-CE2 3.42Å; Y63-Y179 AromaticContact CE2-CG 3.87Å; Y63-Y179 HydrophobicContact CE2-CG 3.87Å; Y63-Y179 AromaticContact CE2-CZ 3.34Å
64S93.4Very high92.7Very high41 Ų4139.3 Ų39.329%0.28721%0.208SC..Hα-helixtrans-49.9-38.9177.856.20000113S62S62-S64 WeakPolarHBondContact CB-OG 3.44Å; S62-S64 PolarHBondContact O-N 3.4Å; S62-S64 WeakPolarHBondContact OG-CB 3.36Å; S62-S64 PolarHBondContact OG-N 2.92Å; S62-S64 PolarHBondContact OG-OG 3.44Å
65Y92.9Very high92.9Very high25 Ų2542.8 Ų42.810%0.09823%0.227CC..Hα-helixtrans-76.1-55.5179-179-129.9000113.5T38 Y63 C67 V68 F69 T135 L136 L137 V140T38-Y65 HydrophobicContact CG2-CD1 4.08Å; T38-Y65 HydrophobicContact CG2-CE1 3.52Å; T38-Y65 WeakPolarHBondContact OG1-CE1 3.44Å; Y63-Y65 PolarHBondContact O-N 3.02Å; Y63-Y65 VanDerWaalsContact O-N 3.1Å; Y65-C67 PolarHBondContact O-N 2.95Å; Y65-V68 WeakPolarHBondContact O-CB 3.4Å; Y65-V68 PolarHBondContact O-N 2.75Å; Y65-V68 VanDerWaalsContact O-N 3.13Å; Y65-F69 HydrophobicContact CD2-CE2 4.08Å; Y65-F69 HydrophobicContact CE1-CE2 4.34Å; Y65-F69 HydrophobicContact CE2-CD2 4.38Å; Y65-F69 AromaticContact CE2-CE2 3.41Å; Y65-F69 HydrophobicContact CE2-CE2 3.41Å; Y65-F69 VanDerWaalsContact CE2-CE2 3.41Å; Y65-F69 HydrophobicContact CE2-CZ 4.16Å; Y65-F69 AromaticContact CZ-CE2 3.56Å; Y65-T135 PolarHBondContact OH-O 3.23Å; Y65-L136 PolarHBondContact OH-O 3.35Å; Y65-L137 HydrophobicContact CD1-CB 4.13Å; Y65-L137 HydrophobicContact CD1-CD1 3.69Å; Y65-L137 HydrophobicContact CD1-CG 4.46Å; Y65-L137 HydrophobicContact CD2-CD1 4.36Å; Y65-L137 HydrophobicContact CE1-CB 3.92Å; Y65-L137 HydrophobicContact CE1-CD1 4.1Å; Y65-L137 HydrophobicContact CG-CD1 3.82Å; Y65-V140 HydrophobicContact CD2-CG2 4.21Å; Y65-V140 HydrophobicContact CE2-CB 4.21Å; Y65-V140 HydrophobicContact CE2-CG2 3.34Å
66P94.8Very high92.9Very high1 Ų142.6 Ų42.61%0.00623%0.227CC..Hα-helixtrans-56-33173.3-23.427.4000114.5P41 A42 W56 S62 Y63 V68 F69 A70P41-P66 HydrophobicContact CB-CB 4.14Å; P41-P66 HydrophobicContact CB-CG 4.25Å; A42-P66 HydrophobicContact CB-CB 4.17Å; A42-P66 VanDerWaalsContact CB-O 3.27Å; A42-P66 WeakPolarHBondContact CB-O 3.21Å; W56-P66 HydrophobicContact CH2-CG 3.36Å; W56-P66 HydrophobicContact CZ2-CG 3.87Å; W56-P66 HydrophobicContact CZ3-CG 4.22Å; S62-P66 WeakPolarHBondContact O-CD 3.33Å; Y63-P66 WeakPolarHBondContact O-CD 3.47Å; P66-V68 PolarHBondContact O-N 2.9Å; P66-F69 CarbonylContact O-C 3.59Å; P66-F69 PolarHBondContact O-N 2.96Å; P66-A70 PolarHBondContact O-N 2.93Å
67C94.9Very high92.9Very high34 Ų3447.8 Ų47.823%0.2325%0.247CC..Hα-helixtrans-60.7-30.3178.9-78.50000113.1Y63 Y65 F69 A70 A71 I174Y63-C67 VanDerWaalsContact O-CB 3.26Å; Y63-C67 WeakPolarHBondContact O-CB 3.42Å; Y63-C67 PolarHBondContact O-N 2.97Å; Y63-C67 PolarHBondContact O-SG 2.92Å; Y65-C67 PolarHBondContact O-N 2.95Å; C67-F69 VanDerWaalsContact C-N 3.34Å; C67-A70 PolarHBondContact O-N 3.11Å; C67-A71 PolarHBondContact O-N 2.94Å; C67-I174 HydrophobicContact CB-CG2 4.38Å
68V92.3Very high93.2Very high97 Ų9747.7 Ų47.759%0.58825%0.25SS*.Hα-helixtrans-62.3-44.3173.1178.90000110.5Y65 P66 L72Y65-V68 WeakPolarHBondContact O-CB 3.4Å; Y65-V68 PolarHBondContact O-N 2.75Å; Y65-V68 VanDerWaalsContact O-N 3.13Å; P66-V68 PolarHBondContact O-N 2.9Å; V68-L72 PolarHBondContact O-N 3.38Å; V68-L72 VanDerWaalsContact O-N 3.15Å
69F92.8Very high93.4Very high5 Ų547.7 Ų47.72%0.02225%0.253CS..Hα-helixtrans-73.7-32176.7-66.2-86000112.6T38 L39 A42 Y65 P66 C67 A71 L72 Y73 M87 A90 T135T38-F69 HydrophobicContact CG2-CD2 3.42Å; T38-F69 VanDerWaalsContact CG2-CD2 3.42Å; T38-F69 HydrophobicContact CG2-CE2 3.3Å; T38-F69 HydrophobicContact CG2-CG 4.17Å; T38-F69 HydrophobicContact CG2-CZ 3.98Å; L39-F69 HydrophobicContact CD2-CB 4.24Å; L39-F69 HydrophobicContact CD2-CD1 3.56Å; L39-F69 HydrophobicContact CD2-CE1 4.06Å; L39-F69 HydrophobicContact CD2-CG 3.94Å; A42-F69 HydrophobicContact CB-CB 3.62Å; Y65-F69 HydrophobicContact CD2-CE2 4.08Å; Y65-F69 HydrophobicContact CE1-CE2 4.34Å; Y65-F69 HydrophobicContact CE2-CD2 4.38Å; Y65-F69 AromaticContact CE2-CE2 3.41Å; Y65-F69 HydrophobicContact CE2-CE2 3.41Å; Y65-F69 VanDerWaalsContact CE2-CE2 3.41Å; Y65-F69 HydrophobicContact CE2-CZ 4.16Å; Y65-F69 AromaticContact CZ-CE2 3.56Å; P66-F69 CarbonylContact O-C 3.59Å; P66-F69 PolarHBondContact O-N 2.96Å; C67-F69 VanDerWaalsContact C-N 3.34Å; F69-A71 VanDerWaalsContact C-N 3.34Å; F69-L72 CarbonylContact O-C 3.59Å; F69-L72 WeakPolarHBondContact O-CB 3.35Å; F69-L72 PolarHBondContact O-N 3.1Å; F69-Y73 VanDerWaalsContact O-CD2 3.24Å; F69-Y73 WeakPolarHBondContact O-CD2 3.4Å; F69-Y73 PolarHBondContact O-N 2.96Å; F69-M87 HydrophobicContact CD1-SD 4.24Å; F69-A90 HydrophobicContact CE1-CB 3.87Å; F69-T135 HydrophobicContact CD1-CG2 4.49Å; F69-T135 HydrophobicContact CE1-CG2 3.52Å; F69-T135 HydrophobicContact CZ-CG2 3.73Å
70A94.1Very high93.2Very high12 Ų1250.4 Ų50.410%0.09928%0.281CS..Hα-helixtrans-63.4-42.8174.900000110.8A42 L45 T46 P66 C67 L72 Y73 K74A42-A70 HydrophobicContact CB-CB 4.26Å; L45-A70 HydrophobicContact CB-CB 4.17Å; L45-A70 HydrophobicContact CD1-CB 4.43Å; T46-A70 VanDerWaalsContact OG1-CA 3.31Å; T46-A70 WeakPolarHBondContact OG1-CA 3.37Å; T46-A70 WeakPolarHBondContact OG1-CB 3.43Å; T46-A70 PolarHBondContact OG1-O 2.87Å; P66-A70 PolarHBondContact O-N 2.93Å; C67-A70 PolarHBondContact O-N 3.11Å; A70-L72 VanDerWaalsContact C-N 3.31Å; A70-L72 PolarHBondContact O-N 3.49Å; A70-Y73 PolarHBondContact O-N 3.22Å; A70-K74 PolarHBondContact O-N 3.46Å
71A93.3Very high93.1Very high54 Ų5453.5 Ų53.545%0.44630%0.298SS..Hα-helixtrans-60.4-42.2172.200000111.5C67 F69 K74 I75C67-A71 PolarHBondContact O-N 2.94Å; F69-A71 VanDerWaalsContact C-N 3.34Å; A71-K74 PolarHBondContact O-N 3.26Å; A71-I75 WeakPolarHBondContact O-CG1 3.37Å; A71-I75 PolarHBondContact O-N 2.95Å
72L91.9Very high92.5Very high45 Ų4552.6 Ų52.624%0.23630%0.297CS..Hα-helixtrans-64.3-42.4175.9-172.459.5000112.2V68 F69 A70 K74 I75 L76 M87 A90V68-L72 PolarHBondContact O-N 3.38Å; V68-L72 VanDerWaalsContact O-N 3.15Å; F69-L72 CarbonylContact O-C 3.59Å; F69-L72 WeakPolarHBondContact O-CB 3.35Å; F69-L72 PolarHBondContact O-N 3.1Å; A70-L72 VanDerWaalsContact C-N 3.31Å; A70-L72 PolarHBondContact O-N 3.49Å; L72-K74 VanDerWaalsContact C-N 3.26Å; L72-K74 PolarHBondContact O-N 3.03Å; L72-I75 PolarHBondContact O-N 3.4Å; L72-L76 HydrophobicContact CD1-CG 4.38Å; L72-L76 HydrophobicContact CG-CD1 4.27Å; L72-L76 HydrophobicContact CG-CG 4.49Å; L72-L76 WeakPolarHBondContact O-CB 3.36Å; L72-L76 WeakPolarHBondContact O-CG 3.24Å; L72-L76 PolarHBondContact O-N 2.81Å; L72-M87 HydrophobicContact CB-CE 4.02Å; L72-M87 HydrophobicContact CB-SD 4.26Å; L72-M87 HydrophobicContact CD2-CE 4.28Å; L72-M87 HydrophobicContact CD2-SD 3.73Å; L72-M87 HydrophobicContact CG-CE 3.85Å; L72-M87 HydrophobicContact CG-SD 3.97Å; L72-A90 HydrophobicContact CD2-CB 3.73Å
73Y92.9Very high91.8Very high1 Ų153.9 Ų53.90%0.00430%0.304CS..Hα-helixtrans-58.2-44.1174.9-86.2-61.9000109.6L39 A42 H43 F47 F69 A70 L76 Y77 M87L39-Y73 HydrophobicContact CD2-CE2 4.42Å; A42-Y73 HydrophobicContact CB-CD2 4.03Å; A42-Y73 HydrophobicContact CB-CE2 3.94Å; H43-Y73 HydrophobicContact CB-CE2 4.05Å; F47-Y73 AromaticContact CE2-CD1 3.56Å; F47-Y73 HydrophobicContact CE2-CD1 3.56Å; F47-Y73 HydrophobicContact CE2-CE1 4.3Å; F47-Y73 AromaticContact CE2-CG 3.79Å; F47-Y73 HydrophobicContact CE2-CG 3.79Å; F47-Y73 AromaticContact CZ-CD1 4Å; F47-Y73 HydrophobicContact CZ-CD1 4Å; F47-Y73 HydrophobicContact CZ-CG 4.33Å; F69-Y73 VanDerWaalsContact O-CD2 3.24Å; F69-Y73 WeakPolarHBondContact O-CD2 3.4Å; F69-Y73 PolarHBondContact O-N 2.96Å; A70-Y73 PolarHBondContact O-N 3.22Å; Y73-L76 PolarHBondContact O-N 2.84Å; Y73-Y77 VanDerWaalsContact O-CB 3.25Å; Y73-Y77 WeakPolarHBondContact O-CB 3.49Å; Y73-Y77 PolarHBondContact O-N 2.8Å; Y73-M87 HydrophobicContact CD1-CE 3.05Å; Y73-M87 HydrophobicContact CD1-CG 4.26Å; Y73-M87 HydrophobicContact CD1-SD 4.22Å; Y73-M87 HydrophobicContact CD2-CE 3.63Å; Y73-M87 HydrophobicContact CD2-SD 4.24Å; Y73-M87 HydrophobicContact CE1-CE 3.41Å; Y73-M87 VanDerWaalsContact CE1-CE 3.41Å; Y73-M87 HydrophobicContact CE1-CG 3.59Å; Y73-M87 HydrophobicContact CE1-SD 4.03Å; Y73-M87 HydrophobicContact CE2-CE 3.95Å; Y73-M87 HydrophobicContact CE2-CG 4.35Å; Y73-M87 HydrophobicContact CE2-SD 4.07Å; Y73-M87 HydrophobicContact CG-CE 3.15Å; Y73-M87 HydrophobicContact CG-SD 4.3Å
74K94.1Very high90.7Very high100 Ų10055 Ų5544%0.43531%0.308SS..Hα-helixtrans-64.6-42.9-179.8-169.361.8173.6-1770112T46 A70 A71 L72 Y77 L78T46-K74 HydrophobicContact CG2-CB 4.04Å; T46-K74 HydrophobicContact CG2-CD 4.19Å; A70-K74 PolarHBondContact O-N 3.46Å; A71-K74 PolarHBondContact O-N 3.26Å; L72-K74 VanDerWaalsContact C-N 3.26Å; L72-K74 PolarHBondContact O-N 3.03Å; K74-Y77 PolarHBondContact O-N 3.42Å; K74-L78 HydrophobicContact CG-CD1 4.45Å; K74-L78 VanDerWaalsContact O-CG 3.25Å; K74-L78 WeakPolarHBondContact O-CG 3.2Å; K74-L78 PolarHBondContact O-N 3.11Å
75I93Very high89.9Confident95 Ų9558.9 Ų58.949%0.48732%0.32SS..Hα-helixtrans-62.6-48.9176.8-68.5164.6000110.4A71 L72 Y77 L78 L79A71-I75 WeakPolarHBondContact O-CG1 3.37Å; A71-I75 PolarHBondContact O-N 2.95Å; L72-I75 PolarHBondContact O-N 3.4Å; I75-Y77 VanDerWaalsContact C-N 3.33Å; I75-Y77 PolarHBondContact O-N 3.34Å; I75-L78 PolarHBondContact O-N 3.4Å; I75-L79 HydrophobicContact CG2-CD1 4.04Å; I75-L79 WeakPolarHBondContact O-CG 3.41Å; I75-L79 PolarHBondContact O-N 3.38Å; I75-L79 VanDerWaalsContact O-N 3.1Å
76L92.2Very high89.1Confident16 Ų1662.3 Ų62.38%0.08434%0.335CS..Hα-helixtrans-62.6-40.2179.7-70.2177.5000112.1L72 Y73 L78 L79 G80 L81 D82 F86 M87L72-L76 HydrophobicContact CD1-CG 4.38Å; L72-L76 HydrophobicContact CG-CD1 4.27Å; L72-L76 HydrophobicContact CG-CG 4.49Å; L72-L76 WeakPolarHBondContact O-CB 3.36Å; L72-L76 WeakPolarHBondContact O-CG 3.24Å; L72-L76 PolarHBondContact O-N 2.81Å; Y73-L76 PolarHBondContact O-N 2.84Å; L76-L78 PolarHBondContact O-N 3.49Å; L76-L79 CarbonylContact O-C 3.56Å; L76-L79 PolarHBondContact O-N 2.96Å; L76-L79 VanDerWaalsContact O-N 3.11Å; L76-G80 PolarHBondContact O-N 3.29Å; L76-L81 HydrophobicContact CD2-CB 4.14Å; L76-L81 PolarHBondContact O-N 3.26Å; L76-D82 HydrophobicContact CB-CB 4.45Å; L76-D82 PolarHBondContact O-N 2.97Å; L76-F86 HydrophobicContact CD1-CB 3.51Å; L76-F86 HydrophobicContact CD2-CB 3.99Å; L76-F86 HydrophobicContact CD2-CG 4.4Å; L76-F86 HydrophobicContact CG-CB 4.42Å; L76-M87 HydrophobicContact CD1-CE 3.61Å
77Y92.1Very high88.1Confident118 Ų11862.2 Ų62.246%0.46334%0.335SS..Hα-helixtrans-60.2-44.5174.6173.6-101000112F47 Y73 K74 I75 L79 G80F47-Y77 AromaticContact CE1-CD2 3.83Å; F47-Y77 HydrophobicContact CE1-CD2 3.83Å; F47-Y77 HydrophobicContact CE1-CG 4.1Å; Y73-Y77 VanDerWaalsContact O-CB 3.25Å; Y73-Y77 WeakPolarHBondContact O-CB 3.49Å; Y73-Y77 PolarHBondContact O-N 2.8Å; K74-Y77 PolarHBondContact O-N 3.42Å; I75-Y77 VanDerWaalsContact C-N 3.33Å; I75-Y77 PolarHBondContact O-N 3.34Å; Y77-L79 PolarHBondContact O-N 3.28Å; Y77-G80 PolarHBondContact O-N 3.03Å
78L94.1Very high86.9Confident127 Ų12762.7 Ų62.767%0.66534%0.337SS*.Hα-helixtrans-64.8-24.6176.4-68.7172.7000113K74 I75 L76K74-L78 HydrophobicContact CG-CD1 4.45Å; K74-L78 VanDerWaalsContact O-CG 3.25Å; K74-L78 WeakPolarHBondContact O-CG 3.2Å; K74-L78 PolarHBondContact O-N 3.11Å; I75-L78 PolarHBondContact O-N 3.4Å; L76-L78 PolarHBondContact O-N 3.49Å
79L93.2Very high86.1Confident114 Ų11460 Ų6060%0.59732%0.322SS*.THydrogen-bonded Turntrans-89.5-3.9174.9-63.1173.9000113.3I75 L76 Y77 L81I75-L79 HydrophobicContact CG2-CD1 4.04Å; I75-L79 WeakPolarHBondContact O-CG 3.41Å; I75-L79 PolarHBondContact O-N 3.38Å; I75-L79 VanDerWaalsContact O-N 3.1Å; L76-L79 CarbonylContact O-C 3.56Å; L76-L79 PolarHBondContact O-N 2.96Å; L76-L79 VanDerWaalsContact O-N 3.11Å; Y77-L79 PolarHBondContact O-N 3.28Å; L79-L81 HydrophobicContact CB-CB 4.44Å; L79-L81 HydrophobicContact CB-CD1 4.22Å; L79-L81 HydrophobicContact CB-CG 4.22Å; L79-L81 PolarHBondContact O-N 3.17Å
80G89.3Confident85.5Confident58 Ų5861.1 Ų61.160%0.59833%0.331SS*.THydrogen-bonded Turntrans66.226.1-172.800000113.6L76 Y77L76-G80 PolarHBondContact O-N 3.29Å; Y77-G80 PolarHBondContact O-N 3.03Å
81L87.9Confident85.1Confident77 Ų7760.7 Ų60.740%0.40333%0.328SS..  trans-118.620.1-178.1-62.3177.8000111.9L76 L79 T83 F86L76-L81 HydrophobicContact CD2-CB 4.14Å; L76-L81 PolarHBondContact O-N 3.26Å; L79-L81 HydrophobicContact CB-CB 4.44Å; L79-L81 HydrophobicContact CB-CD1 4.22Å; L79-L81 HydrophobicContact CB-CG 4.22Å; L79-L81 PolarHBondContact O-N 3.17Å; L81-T83 PolarHBondContact O-N 3.4Å; L81-F86 HydrophobicContact CB-CD2 4.27Å; L81-F86 HydrophobicContact CB-CE2 4.19Å; L81-F86 HydrophobicContact CD2-CE2 4.36Å; L81-F86 VanDerWaalsContact O-CD2 3.23Å; L81-F86 WeakPolarHBondContact O-CD2 3.33Å
82D82.1Confident84.8Confident38 Ų3858.5 Ų58.520%0.20331%0.309CS..  trans-71.371.8175.560-53.1000110.9F47 L76 H347F47-D82 HydrophobicContact CZ-CB 4.32Å; L76-D82 HydrophobicContact CB-CB 4.45Å; L76-D82 PolarHBondContact O-N 2.97Å; D82-H347 PolarHBondContact O-CD2 3.02Å; D82-H347 VanDerWaalsContact O-CD2 3.26Å; D82-H347 PolarHBondContact O-NE2 3.36Å; D82-H347 IonicContact OD2-CD2 3.76Å; D82-H347 IonicContact OD2-CE1 2.7Å; D82-H347 IonicContact OD2-NE2 3.2Å; D82-H347 PolarHBondContact OD2-NE2 2.87Å
83T79.6Confident84.7Confident62 Ų6261.4 Ų61.438%0.3832%0.324SS..  trans-114.6148.6165.764.80000108.4L81 F85 F86L81-T83 PolarHBondContact O-N 3.4Å; T83-F85 PolarHBondContact O-N 3.28Å; T83-F86 PolarHBondContact O-N 2.85Å; T83-F86 WeakPolarHBondContact OG1-CD2 3.49Å; T83-F86 WeakPolarHBondContact OG1-CE2 3.31Å
84Y74.3Confident84.7Confident36 Ų3663.5 Ų63.514%0.14134%0.335CS..G310 helixtrans-57.6-24.3-178.371.7-93.5000113F86 M87 H345Y84-F86 VanDerWaalsContact C-N 3.28Å; Y84-F86 PolarHBondContact O-N 3.2Å; Y84-M87 PolarHBondContact O-N 3.13Å; Y84-H345 AromaticContact CD2-CD2 3.53Å; Y84-H345 AromaticContact CD2-NE2 3.96Å; Y84-H345 AromaticContact CG-CD2 3.91Å
85F76.1Confident84.7Confident122 Ų12259 Ų5954%0.53532%0.316SS..G310 helixtrans-58.7-34.1178.3-71.9-71.7000114.1T83 M87 P89T83-F85 PolarHBondContact O-N 3.28Å; F85-M87 VanDerWaalsContact C-N 3.32Å; F85-M87 PolarHBondContact O-N 2.75Å; F85-P89 WeakPolarHBondContact O-CD 3.3Å
86F75.1Confident84.8Confident96 Ų9656.6 Ų56.642%0.42130%0.302SS..G310 helixtrans-85.5-3.3-176-68.8-71.6000113.8L76 L81 T83 Y84 P89L76-F86 HydrophobicContact CD1-CB 3.51Å; L76-F86 HydrophobicContact CD2-CB 3.99Å; L76-F86 HydrophobicContact CD2-CG 4.4Å; L76-F86 HydrophobicContact CG-CB 4.42Å; L81-F86 HydrophobicContact CB-CD2 4.27Å; L81-F86 HydrophobicContact CB-CE2 4.19Å; L81-F86 HydrophobicContact CD2-CE2 4.36Å; L81-F86 VanDerWaalsContact O-CD2 3.23Å; L81-F86 WeakPolarHBondContact O-CD2 3.33Å; T83-F86 PolarHBondContact O-N 2.85Å; T83-F86 WeakPolarHBondContact OG1-CD2 3.49Å; T83-F86 WeakPolarHBondContact OG1-CE2 3.31Å; Y84-F86 VanDerWaalsContact C-N 3.28Å; Y84-F86 PolarHBondContact O-N 3.2Å; F86-P89 WeakPolarHBondContact O-CD 3.27Å
87M73.8Confident84.9Confident0 Ų061.3 Ų61.30%032%0.322CS..THydrogen-bonded Turntrans-81.9-34.7176.3-75.5-64.9163.300113.5L39 F69 L72 Y73 L76 Y84 F85 P89 A90L39-M87 HydrophobicContact CD2-CB 4.17Å; L39-M87 HydrophobicContact CD2-CG 4.49Å; F69-M87 HydrophobicContact CD1-SD 4.24Å; L72-M87 HydrophobicContact CB-CE 4.02Å; L72-M87 HydrophobicContact CB-SD 4.26Å; L72-M87 HydrophobicContact CD2-CE 4.28Å; L72-M87 HydrophobicContact CD2-SD 3.73Å; L72-M87 HydrophobicContact CG-CE 3.85Å; L72-M87 HydrophobicContact CG-SD 3.97Å; Y73-M87 HydrophobicContact CD1-CE 3.05Å; Y73-M87 HydrophobicContact CD1-CG 4.26Å; Y73-M87 HydrophobicContact CD1-SD 4.22Å; Y73-M87 HydrophobicContact CD2-CE 3.63Å; Y73-M87 HydrophobicContact CD2-SD 4.24Å; Y73-M87 HydrophobicContact CE1-CE 3.41Å; Y73-M87 VanDerWaalsContact CE1-CE 3.41Å; Y73-M87 HydrophobicContact CE1-CG 3.59Å; Y73-M87 HydrophobicContact CE1-SD 4.03Å; Y73-M87 HydrophobicContact CE2-CE 3.95Å; Y73-M87 HydrophobicContact CE2-CG 4.35Å; Y73-M87 HydrophobicContact CE2-SD 4.07Å; Y73-M87 HydrophobicContact CG-CE 3.15Å; Y73-M87 HydrophobicContact CG-SD 4.3Å; L76-M87 HydrophobicContact CD1-CE 3.61Å; Y84-M87 PolarHBondContact O-N 3.13Å; F85-M87 VanDerWaalsContact C-N 3.32Å; F85-M87 PolarHBondContact O-N 2.75Å; M87-P89 VanDerWaalsContact C-CD 3.48Å; M87-A90 PolarHBondContact O-N 3.03Å
88V71.2Confident85.1Confident44 Ų4455.9 Ų55.927%0.26730%0.301SS..THydrogen-bonded Turntrans-59.7-38.9-177.9-170.20000113.1L23 A90L23-V88 HydrophobicContact CD2-CB 4.42Å; L23-V88 HydrophobicContact CD2-CG1 3.89Å; V88-A90 VanDerWaalsContact C-N 3.27Å; V88-A90 PolarHBondContact O-N 3.05Å
89P75.1Confident85.2Confident41 Ų4149.8 Ų49.827%0.26627%0.27SS..Hα-helixtrans-63.6-18.4-179.6-25.436.2000117L23 F85 F86 M87 C91 C92 I93L23-P89 HydrophobicContact CD1-CB 3.91Å; L23-P89 HydrophobicContact CD1-CG 4.02Å; L23-P89 HydrophobicContact CD2-CB 4.28Å; L23-P89 HydrophobicContact CD2-CG 4.15Å; F85-P89 WeakPolarHBondContact O-CD 3.3Å; F86-P89 WeakPolarHBondContact O-CD 3.27Å; M87-P89 VanDerWaalsContact C-CD 3.48Å; P89-C91 PolarHBondContact O-N 2.83Å; P89-C92 VanDerWaalsContact O-CB 3.3Å; P89-C92 WeakPolarHBondContact O-CB 3.15Å; P89-C92 PolarHBondContact O-N 2.77Å; P89-I93 PolarHBondContact O-N 3.18Å
90A79.5Confident85.2Confident27 Ų2746 Ų4622%0.22325%0.249CC..Hα-helixtrans-59.4-44.1-171.800000113F69 L72 M87 V88 C92 I93F69-A90 HydrophobicContact CE1-CB 3.87Å; L72-A90 HydrophobicContact CD2-CB 3.73Å; M87-A90 PolarHBondContact O-N 3.03Å; V88-A90 VanDerWaalsContact C-N 3.27Å; V88-A90 PolarHBondContact O-N 3.05Å; A90-C92 VanDerWaalsContact C-N 3.27Å; A90-C92 PolarHBondContact O-N 3.38Å; A90-I93 PolarHBondContact O-N 2.99Å
91C85.7Confident85.5Confident4 Ų446.9 Ų46.93%0.02723%0.234CC..Hα-helixtrans-67.2-27.4177.6-72.10000112.7P89 I93 L94 A95 T139P89-C91 PolarHBondContact O-N 2.83Å; C91-I93 VanDerWaalsContact C-N 3.3Å; C91-I93 PolarHBondContact O-N 3.34Å; C91-L94 PolarHBondContact O-N 3.04Å; C91-A95 VanDerWaalsContact O-CB 3.3Å; C91-A95 WeakPolarHBondContact O-CB 3.37Å; C91-A95 PolarHBondContact O-N 3.29Å; C91-T139 HydrophobicContact CB-CG2 4.16Å
92C88.1Confident85.9Confident8 Ų843.2 Ų43.25%0.05422%0.215CC..Hα-helixtrans-65.8-32176.4-73.80000112.8R19 L23 P89 A90 A95 F96 S133R19-C92 HydrophobicContact CB-CB 4.18Å; L23-C92 HydrophobicContact CD1-CB 4.41Å; L23-C92 VanDerWaalsContact CD2-SG 3.53Å; P89-C92 VanDerWaalsContact O-CB 3.3Å; P89-C92 WeakPolarHBondContact O-CB 3.15Å; P89-C92 PolarHBondContact O-N 2.77Å; A90-C92 VanDerWaalsContact C-N 3.27Å; A90-C92 PolarHBondContact O-N 3.38Å; C92-A95 PolarHBondContact O-N 3.26Å; C92-F96 WeakPolarHBondContact O-CB 3.38Å; C92-F96 PolarHBondContact O-N 3.39Å; C92-S133 WeakPolarHBondContact SG-CB 3.46Å
93I90.2Very high86.6Confident106 Ų10642.5 Ų42.554%0.54421%0.21SC..Hα-helixtrans-65.8-48.6176.1-63.3172.7000109.9P89 A90 C91 A95 F96 F97P89-I93 PolarHBondContact O-N 3.18Å; A90-I93 PolarHBondContact O-N 2.99Å; C91-I93 VanDerWaalsContact C-N 3.3Å; C91-I93 PolarHBondContact O-N 3.34Å; I93-A95 VanDerWaalsContact C-N 3.34Å; I93-A95 PolarHBondContact O-N 3.03Å; I93-F96 WeakPolarHBondContact O-CB 3.27Å; I93-F96 PolarHBondContact O-N 2.83Å; I93-F97 HydrophobicContact CG2-CD2 4.14Å; I93-F97 HydrophobicContact CG2-CE2 3.74Å; I93-F97 WeakPolarHBondContact O-CD2 3.14Å; I93-F97 PolarHBondContact O-N 2.95Å
94L92.2Very high87.3Confident45 Ų4540.7 Ų40.724%0.23620%0.201CC..Hα-helixtrans-63.1-42.1177179.462.7000111.4C91 F96 F97 A98 V140 A143 I147C91-L94 PolarHBondContact O-N 3.04Å; L94-F96 VanDerWaalsContact C-N 3.33Å; L94-F96 PolarHBondContact O-N 3.28Å; L94-F97 PolarHBondContact O-N 3.15Å; L94-A98 PolarHBondContact O-N 3.37Å; L94-V140 HydrophobicContact CD2-CB 4.11Å; L94-V140 HydrophobicContact CD2-CG1 3.87Å; L94-V140 HydrophobicContact CD2-CG2 3.89Å; L94-A143 HydrophobicContact CD1-CB 4.24Å; L94-A143 HydrophobicContact CD2-CB 3.81Å; L94-A143 HydrophobicContact CG-CB 3.61Å; L94-I147 HydrophobicContact CD1-CD1 3.85Å
95A94.1Very high88.2Confident4 Ų439 Ų393%0.03319%0.194CC..Hα-helixtrans-62-39.9176.700000112C91 C92 I93 F97 A98 D99C91-A95 VanDerWaalsContact O-CB 3.3Å; C91-A95 WeakPolarHBondContact O-CB 3.37Å; C91-A95 PolarHBondContact O-N 3.29Å; C92-A95 PolarHBondContact O-N 3.26Å; I93-A95 VanDerWaalsContact C-N 3.34Å; I93-A95 PolarHBondContact O-N 3.03Å; A95-F97 VanDerWaalsContact C-N 3.34Å; A95-F97 PolarHBondContact O-N 2.92Å; A95-A98 CarbonylContact O-C 3.57Å; A95-A98 WeakPolarHBondContact O-CB 3.49Å; A95-A98 PolarHBondContact O-N 3.33Å; A95-A98 VanDerWaalsContact O-N 3.17Å; A95-D99 PolarHBondContact O-N 2.84Å
96F94.7Very high89.2Confident46 Ų4633.1 Ų33.120%0.20217%0.169CC..Hα-helixtrans-57.5-44.8172.9165.3-94.4000112.1A12 A15 I16 R19 C92 I93 L94 A98 D99 Q100A12-F96 HydrophobicContact CB-CE2 4.23Å; A12-F96 HydrophobicContact CB-CZ 4.22Å; A15-F96 HydrophobicContact CB-CD2 3.62Å; A15-F96 HydrophobicContact CB-CE2 3.9Å; I16-F96 HydrophobicContact CD1-CE2 4.3Å; I16-F96 HydrophobicContact CG1-CD2 4.03Å; I16-F96 HydrophobicContact CG1-CE2 3.76Å; R19-F96 HydrophobicContact CG-CB 4.38Å; C92-F96 WeakPolarHBondContact O-CB 3.38Å; C92-F96 PolarHBondContact O-N 3.39Å; I93-F96 WeakPolarHBondContact O-CB 3.27Å; I93-F96 PolarHBondContact O-N 2.83Å; L94-F96 VanDerWaalsContact C-N 3.33Å; L94-F96 PolarHBondContact O-N 3.28Å; F96-A98 VanDerWaalsContact C-N 3.35Å; F96-D99 WeakPolarHBondContact O-CB 3.5Å; F96-D99 PolarHBondContact O-N 2.97Å; F96-Q100 HydrophobicContact CZ-CG 4.36Å; F96-Q100 PolarHBondContact O-N 2.69Å
97F93.8Very high90Very high114 Ų11430.5 Ų30.550%0.516%0.162SC..Hα-helixtrans-65-40175.7-74.2-68.8000112.1I93 L94 A95 D99 Q100 R101I93-F97 HydrophobicContact CG2-CD2 4.14Å; I93-F97 HydrophobicContact CG2-CE2 3.74Å; I93-F97 WeakPolarHBondContact O-CD2 3.14Å; I93-F97 PolarHBondContact O-N 2.95Å; L94-F97 PolarHBondContact O-N 3.15Å; A95-F97 VanDerWaalsContact C-N 3.34Å; A95-F97 PolarHBondContact O-N 2.92Å; F97-D99 VanDerWaalsContact C-N 3.29Å; F97-D99 PolarHBondContact O-N 3.15Å; F97-Q100 PolarHBondContact O-N 2.81Å; F97-R101 WeakPolarHBondContact O-CG 3.15Å; F97-R101 PolarHBondContact O-N 3.36Å
98A96.1Very high90.9Very high4 Ų434.2 Ų34.23%0.03318%0.179CC..Hα-helixtrans-61.9-35.4174.600000112.2L94 A95 F96 Q100 R101 L102 A143 I146 I147L94-A98 PolarHBondContact O-N 3.37Å; A95-A98 CarbonylContact O-C 3.57Å; A95-A98 WeakPolarHBondContact O-CB 3.49Å; A95-A98 PolarHBondContact O-N 3.33Å; A95-A98 VanDerWaalsContact O-N 3.17Å; F96-A98 VanDerWaalsContact C-N 3.35Å; A98-Q100 PolarHBondContact O-N 2.88Å; A98-R101 CarbonylContact O-C 3.57Å; A98-R101 PolarHBondContact O-N 2.81Å; A98-R101 VanDerWaalsContact O-N 3.17Å; A98-L102 WeakPolarHBondContact O-CB 3.14Å; A98-L102 PolarHBondContact O-N 3.45Å; A98-A143 HydrophobicContact CB-CB 3.76Å; A98-I146 HydrophobicContact CB-CB 4.49Å; A98-I146 HydrophobicContact CB-CG2 4.4Å; A98-I146 WeakPolarHBondContact O-CG2 3.35Å; A98-I147 HydrophobicContact CB-CG1 4.41Å
99D96.4Very high91.9Very high0 Ų033.2 Ų33.20%017%0.173CC..Hα-helixtrans-61.3-45.1176.9-63.4-25.1000112.2A15 R19 A95 F96 F97 R101 L102 Y103 M119 Y122 Y123A15-D99 HydrophobicContact CB-CB 4.35Å; R19-D99 IonicContact CZ-OD1 3.63Å; R19-D99 IonicContact CZ-OD2 2.91Å; R19-D99 VanDerWaalsContact CZ-OD2 3.23Å; R19-D99 IonicContact NE-OD2 3.77Å; R19-D99 PolarHBondContact NE-OD2 2.81Å; R19-D99 IonicContact NH2-OD1 3.47Å; R19-D99 PolarHBondContact NH2-OD1 3.45Å; R19-D99 IonicContact NH2-OD2 3.29Å; R19-D99 PolarHBondContact NH2-OD2 2.96Å; A95-D99 PolarHBondContact O-N 2.84Å; F96-D99 WeakPolarHBondContact O-CB 3.5Å; F96-D99 PolarHBondContact O-N 2.97Å; F97-D99 VanDerWaalsContact C-N 3.29Å; F97-D99 PolarHBondContact O-N 3.15Å; D99-R101 VanDerWaalsContact C-N 3.25Å; D99-R101 PolarHBondContact O-N 2.85Å; D99-L102 PolarHBondContact O-N 3.31Å; D99-Y103 PolarHBondContact O-N 3.19Å; D99-Y103 VanDerWaalsContact O-N 3.12Å; D99-M119 HydrophobicContact CB-CE 4.02Å; D99-Y122 VanDerWaalsContact OD1-CE1 3.27Å; D99-Y122 WeakPolarHBondContact OD1-CE1 3.29Å; D99-Y123 WeakPolarHBondContact CB-OH 3.44Å; D99-Y123 PolarHBondContact OD2-OH 3.39Å
100Q94.8Very high92.8Very high35 Ų3533 Ų3316%0.16417%0.167CC..Hα-helixtrans-62.9-37.9177.2-54.8-51.7-61.900110.9F96 F97 A98 A104F96-Q100 HydrophobicContact CZ-CG 4.36Å; F96-Q100 PolarHBondContact O-N 2.69Å; F97-Q100 PolarHBondContact O-N 2.81Å; A98-Q100 PolarHBondContact O-N 2.88Å; Q100-A104 PolarHBondContact O-N 3.25Å; Q100-A104 VanDerWaalsContact O-N 3.16Å
101R94.6Very high93.5Very high75 Ų7534 Ų3428%0.28317%0.169SC..Hα-helixtrans-75.8-31.5179.2-65.8-56.5175.5173.7-5.8113.2F97 A98 D99 A104 L105 I146 I147 S150 Y151F97-R101 WeakPolarHBondContact O-CG 3.15Å; F97-R101 PolarHBondContact O-N 3.36Å; A98-R101 CarbonylContact O-C 3.57Å; A98-R101 PolarHBondContact O-N 2.81Å; A98-R101 VanDerWaalsContact O-N 3.17Å; D99-R101 VanDerWaalsContact C-N 3.25Å; D99-R101 PolarHBondContact O-N 2.85Å; R101-A104 PolarHBondContact O-N 3.32Å; R101-L105 WeakPolarHBondContact O-CB 3.4Å; R101-L105 PolarHBondContact O-N 3.03Å; R101-I146 HydrophobicContact CB-CG2 4.13Å; R101-I147 HydrophobicContact CB-CG1 4.3Å; R101-I147 HydrophobicContact CG-CG1 4.06Å; R101-S150 WeakPolarHBondContact CD-OG 3.22Å; R101-Y151 VanDerWaalsContact CZ-CZ 3.49Å; R101-Y151 PolarHBondContact NH2-OH 3.33Å
102L97.1Very high93.8Very high1 Ų138 Ų381%0.00519%0.187CC..Hα-helixtrans-63.8-45.2172.3-179.757.5000111A98 D99 L105 A106 T118 M119 Y122 I146 P266 I270A98-L102 WeakPolarHBondContact O-CB 3.14Å; A98-L102 PolarHBondContact O-N 3.45Å; D99-L102 PolarHBondContact O-N 3.31Å; L102-L105 PolarHBondContact O-N 3Å; L102-A106 WeakPolarHBondContact O-CB 3.09Å; L102-A106 PolarHBondContact O-N 2.81Å; L102-T118 HydrophobicContact CD1-CG2 4.23Å; L102-T118 HydrophobicContact CD2-CG2 4.36Å; L102-T118 HydrophobicContact CG-CG2 4.15Å; L102-M119 HydrophobicContact CB-SD 4.25Å; L102-M119 HydrophobicContact CD2-SD 4.09Å; L102-M119 HydrophobicContact CG-SD 4.08Å; L102-Y122 HydrophobicContact CD2-CD1 3.79Å; L102-Y122 HydrophobicContact CD2-CD2 3.82Å; L102-Y122 HydrophobicContact CD2-CE1 4.16Å; L102-Y122 HydrophobicContact CD2-CE2 4.17Å; L102-Y122 HydrophobicContact CD2-CG 3.59Å; L102-I146 HydrophobicContact CB-CG2 3.84Å; L102-I146 HydrophobicContact CD1-CD1 4.14Å; L102-P266 HydrophobicContact CD1-CB 4.06Å; L102-P266 HydrophobicContact CD2-CB 3.83Å; L102-I270 HydrophobicContact CD1-CD1 4.15Å; L102-I270 HydrophobicContact CD1-CG1 4.03Å
103Y96Very high94Very high22 Ų2238.9 Ų38.99%0.08619%0.194CC..Hα-helixtrans-61.2-46175.8-177.6-96.1000111.7F6 L11 D99 A106 S107 Q112 A115 M119F6-Y103 HydrophobicContact CB-CE2 4.28Å; F6-Y103 HydrophobicContact CD2-CD2 4.46Å; F6-Y103 AromaticContact CD2-CE2 3.87Å; F6-Y103 HydrophobicContact CD2-CE2 3.87Å; F6-Y103 PolarHBondContact N-OH 3.14Å; F6-Y103 PolarHBondContact O-OH 3.46Å; L11-Y103 VanDerWaalsContact CD2-CB 3.48Å; L11-Y103 HydrophobicContact CD2-CD1 3.77Å; L11-Y103 HydrophobicContact CD2-CD2 4.06Å; L11-Y103 HydrophobicContact CD2-CE1 4.46Å; L11-Y103 HydrophobicContact CD2-CG 3.5Å; D99-Y103 PolarHBondContact O-N 3.19Å; D99-Y103 VanDerWaalsContact O-N 3.12Å; Y103-A106 PolarHBondContact O-N 2.87Å; Y103-S107 WeakPolarHBondContact O-CB 3.17Å; Y103-S107 PolarHBondContact O-N 2.89Å; Y103-Q112 WeakPolarHBondContact OH-CG 3.44Å; Y103-Q112 PolarHBondContact OH-NE2 3.14Å; Y103-A115 HydrophobicContact CD2-CB 3.54Å; Y103-A115 HydrophobicContact CE2-CB 3.52Å; Y103-A115 HydrophobicContact CG-CB 4.08Å; Y103-A115 WeakPolarHBondContact O-CB 3.44Å; Y103-M119 HydrophobicContact CD2-CG 3.72Å; Y103-M119 HydrophobicContact CG-CG 4.44Å
104A93.6Very high94.1Very high24 Ų2433.9 Ų33.920%0.19817%0.168CC..Hα-helixtrans-59.7-47.8176.500000111.6Q100 R101 A106 S107 Q108Q100-A104 PolarHBondContact O-N 3.25Å; Q100-A104 VanDerWaalsContact O-N 3.16Å; R101-A104 PolarHBondContact O-N 3.32Å; A104-A106 PolarHBondContact O-N 3.33Å; A104-S107 PolarHBondContact O-N 2.84Å; A104-Q108 WeakPolarHBondContact O-CB 3.45Å; A104-Q108 VanDerWaalsContact O-CG 3.27Å; A104-Q108 WeakPolarHBondContact O-CG 3.21Å; A104-Q108 PolarHBondContact O-N 3.17Å
105L94.6Very high94.3Very high0 Ų031.7 Ų31.70%016%0.156CC..Hα-helixtrans-56.9-50177.4175.457.5000111.8R101 L102 S107 Q108 L109 I146 I153 F239 L267 I270R101-L105 WeakPolarHBondContact O-CB 3.4Å; R101-L105 PolarHBondContact O-N 3.03Å; L102-L105 PolarHBondContact O-N 3Å; L105-S107 VanDerWaalsContact C-N 3.32Å; L105-S107 PolarHBondContact O-N 3.24Å; L105-Q108 PolarHBondContact O-N 3.4Å; L105-L109 HydrophobicContact CD1-CD1 3.77Å; L105-L109 HydrophobicContact CD1-CG 4.08Å; L105-L109 HydrophobicContact CG-CD1 3.92Å; L105-L109 WeakPolarHBondContact O-CB 3.28Å; L105-L109 VanDerWaalsContact O-CG 3.25Å; L105-L109 WeakPolarHBondContact O-CG 3.47Å; L105-L109 PolarHBondContact O-N 3.28Å; L105-I146 HydrophobicContact CD2-CD1 4.42Å; L105-I153 HydrophobicContact CD1-CD1 3.28Å; L105-I153 HydrophobicContact CD1-CG1 4.24Å; L105-F239 HydrophobicContact CD1-CE2 3.82Å; L105-F239 HydrophobicContact CD1-CZ 3.98Å; L105-F239 HydrophobicContact CD2-CE2 4.4Å; L105-F239 HydrophobicContact CD2-CZ 4.31Å; L105-F239 HydrophobicContact CG-CE2 4.47Å; L105-L267 HydrophobicContact CD2-CD2 4.1Å; L105-I270 HydrophobicContact CD2-CD1 3.96Å; L105-I270 HydrophobicContact CG-CD1 4.03Å
106A95.7Very high94.2Very high0 Ų031.5 Ų31.50%016%0.155CC..Hα-helixtrans-64.1-37.4178.900000112.5L102 Y103 A104 Q108 F110 A115 T118 I270L102-A106 WeakPolarHBondContact O-CB 3.09Å; L102-A106 PolarHBondContact O-N 2.81Å; Y103-A106 PolarHBondContact O-N 2.87Å; A104-A106 PolarHBondContact O-N 3.33Å; A106-Q108 VanDerWaalsContact C-N 3.35Å; A106-F110 PolarHBondContact O-N 3.02Å; A106-A115 HydrophobicContact CB-CB 3.96Å; A106-T118 HydrophobicContact CB-CG2 4.09Å; A106-I270 HydrophobicContact CB-CG1 4.32Å; A106-I270 HydrophobicContact CB-CG2 4.26Å
107S93.7Very high94.1Very high40 Ų4029.9 Ų29.928%0.2815%0.147SC..Hα-helixtrans-67.9-35.2177.4-171.10000112.4Y103 A104 L105 D111Y103-S107 WeakPolarHBondContact O-CB 3.17Å; Y103-S107 PolarHBondContact O-N 2.89Å; A104-S107 PolarHBondContact O-N 2.84Å; L105-S107 VanDerWaalsContact C-N 3.32Å; L105-S107 PolarHBondContact O-N 3.24Å; S107-D111 PolarHBondContact O-N 3.17Å
108Q91.7Very high94.2Very high78 Ų7824.5 Ų24.536%0.36412%0.124SC..Hα-helixtrans-75.2-38177.7-72.9168.66.100112.3A104 L105 A106 I153 E154A104-Q108 WeakPolarHBondContact O-CB 3.45Å; A104-Q108 VanDerWaalsContact O-CG 3.27Å; A104-Q108 WeakPolarHBondContact O-CG 3.21Å; A104-Q108 PolarHBondContact O-N 3.17Å; L105-Q108 PolarHBondContact O-N 3.4Å; A106-Q108 VanDerWaalsContact C-N 3.35Å; Q108-I153 HydrophobicContact CB-CG2 4.34Å; Q108-E154 PolarHBondContact NE2-OE1 3.25Å
109L93Very high94.1Very high24 Ų2424.3 Ų24.313%0.12612%0.122CC..Hα-helixtrans-69.3-35.4-179.3-75.6167.6000113.2L105 I153 N236 F239 I270L105-L109 HydrophobicContact CD1-CD1 3.77Å; L105-L109 HydrophobicContact CD1-CG 4.08Å; L105-L109 HydrophobicContact CG-CD1 3.92Å; L105-L109 WeakPolarHBondContact O-CB 3.28Å; L105-L109 VanDerWaalsContact O-CG 3.25Å; L105-L109 WeakPolarHBondContact O-CG 3.47Å; L105-L109 PolarHBondContact O-N 3.28Å; L109-I153 HydrophobicContact CD1-CD1 4.49Å; L109-I153 HydrophobicContact CD2-CD1 3.52Å; L109-I153 HydrophobicContact CG-CD1 3.81Å; L109-N236 WeakPolarHBondContact CD2-ND2 3.44Å; L109-F239 HydrophobicContact CD1-CD2 3.71Å; L109-F239 HydrophobicContact CD1-CE2 3.64Å; L109-F239 HydrophobicContact CD2-CD2 4.32Å; L109-F239 HydrophobicContact CD2-CE2 3.96Å; L109-F239 HydrophobicContact CG-CE2 4.32Å; L109-I270 HydrophobicContact CD1-CD1 3.87Å; L109-I270 HydrophobicContact CD1-CG2 4.13Å
110F94Very high93.9Very high36 Ų3627.2 Ų27.216%0.15814%0.137CC..THydrogen-bonded Turntrans-135.1-75.9-173.5-63.4-66.4000112.1A106 T114 N236 I270 Y271 Y274A106-F110 PolarHBondContact O-N 3.02Å; F110-T114 HydrophobicContact CB-CG2 3.84Å; F110-T114 HydrophobicContact CD2-CG2 3.83Å; F110-T114 HydrophobicContact CG-CG2 4.19Å; F110-N236 HydrophobicContact CE1-CB 3.94Å; F110-N236 HydrophobicContact CZ-CB 4Å; F110-I270 HydrophobicContact CD2-CG2 3.96Å; F110-I270 HydrophobicContact CE2-CG2 3.79Å; F110-Y271 HydrophobicContact CZ-CE1 4.33Å; F110-Y274 HydrophobicContact CB-CD2 4.04Å; F110-Y274 HydrophobicContact CB-CE2 4.45Å; F110-Y274 AromaticContact CD1-CD2 3.31Å; F110-Y274 HydrophobicContact CD1-CD2 3.31Å; F110-Y274 AromaticContact CD1-CE2 3.31Å; F110-Y274 HydrophobicContact CD1-CE2 3.31Å; F110-Y274 HydrophobicContact CD1-CG 4.49Å; F110-Y274 AromaticContact CD2-CD2 3.83Å; F110-Y274 HydrophobicContact CD2-CD2 3.83Å; F110-Y274 AromaticContact CE1-CD2 3.55Å; F110-Y274 HydrophobicContact CE1-CD2 3.55Å; F110-Y274 AromaticContact CE1-CE2 3.54Å; F110-Y274 HydrophobicContact CE1-CE2 3.54Å; F110-Y274 HydrophobicContact CE1-CG 4.43Å; F110-Y274 HydrophobicContact CE2-CD2 4.05Å; F110-Y274 AromaticContact CG-CD2 3.45Å; F110-Y274 HydrophobicContact CG-CD2 3.45Å; F110-Y274 VanDerWaalsContact CG-CD2 3.45Å; F110-Y274 AromaticContact CG-CE2 3.92Å; F110-Y274 HydrophobicContact CG-CE2 3.92Å; F110-Y274 AromaticContact CZ-CD2 3.91Å; F110-Y274 HydrophobicContact CZ-CD2 3.91Å; F110-Y274 HydrophobicContact CZ-CE2 4.31Å; F110-Y274 HydrophobicContact CZ-CG 4.43Å
111D92.9Very high93.9Very high47 Ų4725.7 Ų25.725%0.25113%0.131SC..  trans-173.8167.2-177.552.972.4000110.6S107 S113 T114 A115 R278S107-D111 PolarHBondContact O-N 3.17Å; D111-S113 VanDerWaalsContact C-N 3.3Å; D111-S113 PolarHBondContact O-N 3.26Å; D111-S113 WeakPolarHBondContact OD1-CB 3.43Å; D111-S113 PolarHBondContact OD1-N 2.99Å; D111-T114 VanDerWaalsContact CG-OG1 3.22Å; D111-T114 WeakPolarHBondContact O-CB 3.37Å; D111-T114 PolarHBondContact O-N 2.9Å; D111-T114 WeakPolarHBondContact OD1-CB 3.27Å; D111-T114 PolarHBondContact OD1-N 2.73Å; D111-T114 PolarHBondContact OD1-OG1 3.07Å; D111-T114 PolarHBondContact OD2-OG1 3.49Å; D111-T114 VanDerWaalsContact OD2-OG1 3.13Å; D111-A115 PolarHBondContact O-N 3.46Å; D111-R278 IonicContact OD2-CZ 2.69Å; D111-R278 IonicContact OD2-NH1 2.79Å; D111-R278 PolarHBondContact OD2-NH1 3.46Å; D111-R278 IonicContact OD2-NH2 2.61Å; D111-R278 PolarHBondContact OD2-NH2 2.99Å
112Q92.7Very high94Very high90 Ų9022.8 Ų22.842%0.42112%0.12SC..Hα-helixtrans-66.8-29-177.1-161.7170.722.200113.8P5 Y103 A115 C116P5-Q112 HydrophobicContact CB-CG 3.7Å; P5-Q112 VanDerWaalsContact CB-OE1 3.31Å; Y103-Q112 WeakPolarHBondContact OH-CG 3.44Å; Y103-Q112 PolarHBondContact OH-NE2 3.14Å; Q112-A115 WeakPolarHBondContact O-CB 3.41Å; Q112-A115 PolarHBondContact O-N 3.46Å; Q112-C116 PolarHBondContact O-N 3.23Å; Q112-C116 VanDerWaalsContact O-N 3.12Å; Q112-C116 PolarHBondContact O-SG 3.38Å
113S91.5Very high93.9Very high26 Ų2623.7 Ų23.718%0.18212%0.124CC..Hα-helixtrans-65-47174.2-177.20000109.8D111 A115 C116 W117D111-S113 VanDerWaalsContact C-N 3.3Å; D111-S113 PolarHBondContact O-N 3.26Å; D111-S113 WeakPolarHBondContact OD1-CB 3.43Å; D111-S113 PolarHBondContact OD1-N 2.99Å; S113-A115 VanDerWaalsContact C-N 3.29Å; S113-A115 PolarHBondContact O-N 3.27Å; S113-C116 PolarHBondContact O-N 2.65Å; S113-C116 VanDerWaalsContact O-N 3.14Å; S113-W117 PolarHBondContact O-N 2.83Å; S113-W117 VanDerWaalsContact O-N 3.12Å
114T93.7Very high93.8Very high0 Ų023.4 Ų23.40%013%0.125CC..Hα-helixtrans-54.7-46.1173.7-59.90000110.7F110 D111 C116 W117 T118 R278F110-T114 HydrophobicContact CB-CG2 3.84Å; F110-T114 HydrophobicContact CD2-CG2 3.83Å; F110-T114 HydrophobicContact CG-CG2 4.19Å; D111-T114 VanDerWaalsContact CG-OG1 3.22Å; D111-T114 WeakPolarHBondContact O-CB 3.37Å; D111-T114 PolarHBondContact O-N 2.9Å; D111-T114 WeakPolarHBondContact OD1-CB 3.27Å; D111-T114 PolarHBondContact OD1-N 2.73Å; D111-T114 PolarHBondContact OD1-OG1 3.07Å; D111-T114 PolarHBondContact OD2-OG1 3.49Å; D111-T114 VanDerWaalsContact OD2-OG1 3.13Å; T114-C116 PolarHBondContact O-N 3.4Å; T114-W117 PolarHBondContact O-N 2.66Å; T114-T118 WeakPolarHBondContact O-CB 3.19Å; T114-T118 PolarHBondContact O-N 3.01Å; T114-T118 PolarHBondContact O-OG1 3.19Å; T114-R278 PolarHBondContact OG1-NH1 2.93Å; T114-R278 VanDerWaalsContact OG1-NH1 3.09Å
115A95Very high94Very high0 Ų022.3 Ų22.30%012%0.116CC..Hα-helixtrans-58.4-43.317700000113.4Y103 A106 D111 Q112 S113 W117 T118 M119Y103-A115 HydrophobicContact CD2-CB 3.54Å; Y103-A115 HydrophobicContact CE2-CB 3.52Å; Y103-A115 HydrophobicContact CG-CB 4.08Å; Y103-A115 WeakPolarHBondContact O-CB 3.44Å; A106-A115 HydrophobicContact CB-CB 3.96Å; D111-A115 PolarHBondContact O-N 3.46Å; Q112-A115 WeakPolarHBondContact O-CB 3.41Å; Q112-A115 PolarHBondContact O-N 3.46Å; S113-A115 VanDerWaalsContact C-N 3.29Å; S113-A115 PolarHBondContact O-N 3.27Å; A115-W117 PolarHBondContact O-N 2.84Å; A115-T118 WeakPolarHBondContact O-CB 3.34Å; A115-T118 PolarHBondContact O-N 3.15Å; A115-M119 WeakPolarHBondContact O-CG 3.26Å; A115-M119 PolarHBondContact O-N 3.27Å
116C92.4Very high94.2Very high0 Ų023.5 Ų23.50%012%0.12CC..Hα-helixtrans-62.3-44.6177.3-63.20000111.9L3 F6 Q112 S113 T114 M119 L120L3-C116 HydrophobicContact CB-CB 3.89Å; L3-C116 HydrophobicContact CD1-CB 3.9Å; F6-C116 HydrophobicContact CD2-CB 4.12Å; F6-C116 HydrophobicContact CE2-CB 3.9Å; Q112-C116 PolarHBondContact O-N 3.23Å; Q112-C116 VanDerWaalsContact O-N 3.12Å; Q112-C116 PolarHBondContact O-SG 3.38Å; S113-C116 PolarHBondContact O-N 2.65Å; S113-C116 VanDerWaalsContact O-N 3.14Å; T114-C116 PolarHBondContact O-N 3.4Å; C116-M119 PolarHBondContact O-N 3.4Å; C116-L120 PolarHBondContact O-N 3.03Å; C116-L120 VanDerWaalsContact O-N 3.16Å
117W92.4Very high94.3Very high12 Ų1223.6 Ų23.65%0.04512%0.12CC..Hα-helixtrans-70.1-32177.6-73.6103.6000113.1L3 S113 T114 A115 L120 A121 G273 L276 A277 A280 L284L3-W117 HydrophobicContact CD1-CD2 3.96Å; L3-W117 HydrophobicContact CD1-CE3 4.33Å; L3-W117 HydrophobicContact CD1-CG 4.36Å; L3-W117 HydrophobicContact CD1-CH2 4.16Å; L3-W117 HydrophobicContact CD1-CZ2 3.88Å; L3-W117 HydrophobicContact CD1-CZ3 4.44Å; L3-W117 HydrophobicContact CG-CH2 4.42Å; L3-W117 HydrophobicContact CG-CZ2 3.92Å; S113-W117 PolarHBondContact O-N 2.83Å; S113-W117 VanDerWaalsContact O-N 3.12Å; T114-W117 PolarHBondContact O-N 2.66Å; A115-W117 PolarHBondContact O-N 2.84Å; W117-L120 HydrophobicContact CE3-CD2 3.71Å; W117-L120 HydrophobicContact CH2-CD2 4.35Å; W117-L120 HydrophobicContact CZ3-CD2 3.41Å; W117-L120 VanDerWaalsContact CZ3-CD2 3.41Å; W117-L120 PolarHBondContact O-N 3.25Å; W117-A121 PolarHBondContact O-N 3.34Å; W117-G273 WeakPolarHBondContact CB-O 3.36Å; W117-L276 HydrophobicContact CB-CB 3.99Å; W117-L276 HydrophobicContact CD2-CB 3.8Å; W117-L276 HydrophobicContact CE3-CB 3.72Å; W117-L276 HydrophobicContact CE3-CD1 3.99Å; W117-L276 HydrophobicContact CE3-CG 4.38Å; W117-L276 HydrophobicContact CG-CB 3.92Å; W117-A277 HydrophobicContact CG-CB 4.34Å; W117-A280 HydrophobicContact CD2-CB 4.36Å; W117-A280 HydrophobicContact CH2-CB 3.89Å; W117-A280 HydrophobicContact CZ2-CB 3.38Å; W117-A280 HydrophobicContact CZ3-CB 4.46Å; W117-L284 HydrophobicContact CH2-CD1 3.08Å; W117-L284 HydrophobicContact CH2-CD2 3.95Å; W117-L284 HydrophobicContact CH2-CG 4.13Å; W117-L284 HydrophobicContact CZ2-CD1 3.78Å; W117-L284 HydrophobicContact CZ3-CD1 3.66Å; W117-L284 HydrophobicContact CZ3-CD2 4.42Å
118T95.5Very high94.4Very high0 Ų021.7 Ų21.70%011%0.107CC..Hα-helixtrans-60.4-47.3171.4-64.30000110.7L102 A106 T114 A115 L120 A121 Y122 I270L102-T118 HydrophobicContact CD1-CG2 4.23Å; L102-T118 HydrophobicContact CD2-CG2 4.36Å; L102-T118 HydrophobicContact CG-CG2 4.15Å; A106-T118 HydrophobicContact CB-CG2 4.09Å; T114-T118 WeakPolarHBondContact O-CB 3.19Å; T114-T118 PolarHBondContact O-N 3.01Å; T114-T118 PolarHBondContact O-OG1 3.19Å; A115-T118 WeakPolarHBondContact O-CB 3.34Å; A115-T118 PolarHBondContact O-N 3.15Å; T118-L120 VanDerWaalsContact C-N 3.29Å; T118-L120 PolarHBondContact O-N 3.13Å; T118-A121 PolarHBondContact O-N 3.12Å; T118-Y122 VanDerWaalsContact O-CB 3.22Å; T118-Y122 WeakPolarHBondContact O-CB 3.45Å; T118-Y122 PolarHBondContact O-N 3.2Å; T118-I270 HydrophobicContact CG2-CB 4.42Å; T118-I270 HydrophobicContact CG2-CG1 3.91Å; T118-I270 WeakPolarHBondContact OG1-CA 3.4Å
119M95.2Very high94.7Very high1 Ų119 Ų191%0.0059%0.094CC..Hα-helixtrans-62.2-39.7178.1-63.5-48.8-59.800111.4L11 D99 L102 Y103 A115 C116 Y122 Y123L11-M119 HydrophobicContact CD1-CE 4.3Å; L11-M119 HydrophobicContact CD1-CG 4.12Å; D99-M119 HydrophobicContact CB-CE 4.02Å; L102-M119 HydrophobicContact CB-SD 4.25Å; L102-M119 HydrophobicContact CD2-SD 4.09Å; L102-M119 HydrophobicContact CG-SD 4.08Å; Y103-M119 HydrophobicContact CD2-CG 3.72Å; Y103-M119 HydrophobicContact CG-CG 4.44Å; A115-M119 WeakPolarHBondContact O-CG 3.26Å; A115-M119 PolarHBondContact O-N 3.27Å; C116-M119 PolarHBondContact O-N 3.4Å; M119-Y122 HydrophobicContact CE-CD1 4.2Å; M119-Y122 PolarHBondContact O-N 3.36Å; M119-Y123 HydrophobicContact CB-CD2 4.09Å; M119-Y123 HydrophobicContact CB-CE2 4.06Å; M119-Y123 HydrophobicContact CE-CD2 4.13Å; M119-Y123 HydrophobicContact CE-CE1 4.09Å; M119-Y123 HydrophobicContact CE-CE2 3.36Å; M119-Y123 WeakPolarHBondContact CE-OH 3.48Å; M119-Y123 VanDerWaalsContact O-CB 3.27Å; M119-Y123 WeakPolarHBondContact O-CB 3.3Å; M119-Y123 WeakPolarHBondContact O-CD2 3.48Å; M119-Y123 VanDerWaalsContact O-CG 3.3Å; M119-Y123 PolarHBondContact O-N 2.82Å
120L92.1Very high94.8Very high60 Ų6018.1 Ų18.131%0.3149%0.089SC..Hα-helixtrans-62.1-48.5175.7-174.464.6000111.9C116 W117 T118 Y122 Y123 S124 F291C116-L120 PolarHBondContact O-N 3.03Å; C116-L120 VanDerWaalsContact O-N 3.16Å; W117-L120 HydrophobicContact CE3-CD2 3.71Å; W117-L120 HydrophobicContact CH2-CD2 4.35Å; W117-L120 HydrophobicContact CZ3-CD2 3.41Å; W117-L120 VanDerWaalsContact CZ3-CD2 3.41Å; W117-L120 PolarHBondContact O-N 3.25Å; T118-L120 VanDerWaalsContact C-N 3.29Å; T118-L120 PolarHBondContact O-N 3.13Å; L120-Y122 VanDerWaalsContact C-N 3.31Å; L120-Y122 PolarHBondContact O-N 3.22Å; L120-Y123 PolarHBondContact O-N 2.87Å; L120-S124 VanDerWaalsContact O-CB 3.26Å; L120-S124 WeakPolarHBondContact O-CB 3.28Å; L120-S124 PolarHBondContact O-N 3.22Å; L120-S124 PolarHBondContact O-OG 2.95Å; L120-F291 HydrophobicContact CD2-CE2 3.94Å; L120-F291 HydrophobicContact CD2-CZ 4.49Å
121A93.9Very high94.9Very high4 Ų416.4 Ų16.43%0.0338%0.082CC..Hα-helixtrans-64.8-35178.800000112.9W117 T118 S124 N125 H222 A272W117-A121 PolarHBondContact O-N 3.34Å; T118-A121 PolarHBondContact O-N 3.12Å; A121-S124 PolarHBondContact O-OG 3.13Å; A121-N125 PolarHBondContact O-N 2.86Å; A121-H222 PolarHBondContact O-CE1 3.14Å; A121-H222 PolarHBondContact O-ND1 2.99Å; A121-A272 HydrophobicContact CB-CB 3.77Å
122Y96.7Very high94.8Very high14 Ų1414.4 Ų14.46%0.0557%0.072CC..Hα-helixtrans-70.3-48.9177175.7-108.1000111.7R19 D99 L102 T118 M119 L120 S124 N125 Q128 V265 P266R19-Y122 PolarHBondContact NH2-OH 2.96Å; D99-Y122 VanDerWaalsContact OD1-CE1 3.27Å; D99-Y122 WeakPolarHBondContact OD1-CE1 3.29Å; L102-Y122 HydrophobicContact CD2-CD1 3.79Å; L102-Y122 HydrophobicContact CD2-CD2 3.82Å; L102-Y122 HydrophobicContact CD2-CE1 4.16Å; L102-Y122 HydrophobicContact CD2-CE2 4.17Å; L102-Y122 HydrophobicContact CD2-CG 3.59Å; T118-Y122 VanDerWaalsContact O-CB 3.22Å; T118-Y122 WeakPolarHBondContact O-CB 3.45Å; T118-Y122 PolarHBondContact O-N 3.2Å; M119-Y122 HydrophobicContact CE-CD1 4.2Å; M119-Y122 PolarHBondContact O-N 3.36Å; L120-Y122 VanDerWaalsContact C-N 3.31Å; L120-Y122 PolarHBondContact O-N 3.22Å; Y122-S124 VanDerWaalsContact C-N 3.31Å; Y122-S124 PolarHBondContact O-N 3.26Å; Y122-N125 WeakPolarHBondContact O-CB 3.3Å; Y122-N125 PolarHBondContact O-N 2.99Å; Y122-Q128 HydrophobicContact CD2-CG 3.87Å; Y122-Q128 HydrophobicContact CE1-CG 4.01Å; Y122-Q128 VanDerWaalsContact CE1-NE2 3.26Å; Y122-Q128 HydrophobicContact CE2-CB 4.37Å; Y122-Q128 HydrophobicContact CE2-CG 3.28Å; Y122-Q128 HydrophobicContact CG-CG 4.46Å; Y122-Q128 PolarHBondContact OH-NE2 3.41Å; Y122-V265 HydrophobicContact CD2-CG1 4.45Å; Y122-P266 HydrophobicContact CD2-CB 3.88Å; Y122-P266 HydrophobicContact CE2-CB 3.55Å; Y122-P266 HydrophobicContact CE2-CG 4.27Å
123Y95.6Very high94.7Very high20 Ų2010.1 Ų10.18%0.0785%0.052CC..Hα-helixtrans-73.3-20.4178.8-68.5-44.3000113.6F14 A15 Y18 D99 M119 L120 N125F14-Y123 AromaticContact CD1-CD2 3.83Å; F14-Y123 HydrophobicContact CD1-CD2 3.83Å; F14-Y123 AromaticContact CD1-CE2 3.45Å; F14-Y123 HydrophobicContact CD1-CE2 3.45Å; F14-Y123 VanDerWaalsContact CD1-CE2 3.45Å; F14-Y123 AromaticContact CE1-CD2 3.27Å; F14-Y123 HydrophobicContact CE1-CD2 3.27Å; F14-Y123 AromaticContact CE1-CE2 3.42Å; F14-Y123 HydrophobicContact CE1-CE2 3.42Å; F14-Y123 VanDerWaalsContact CE1-CE2 3.42Å; F14-Y123 AromaticContact CE1-CG 3.88Å; F14-Y123 HydrophobicContact CE1-CG 3.88Å; F14-Y123 HydrophobicContact CZ-CD2 4.27Å; A15-Y123 WeakPolarHBondContact CB-OH 3.06Å; Y18-Y123 AromaticContact CD1-CD1 3.5Å; Y18-Y123 HydrophobicContact CD1-CD1 3.5Å; Y18-Y123 AromaticContact CD1-CE1 3.58Å; Y18-Y123 HydrophobicContact CD1-CE1 3.58Å; Y18-Y123 HydrophobicContact CD1-CG 4.48Å; Y18-Y123 AromaticContact CD2-CD1 3.91Å; Y18-Y123 HydrophobicContact CD2-CD1 3.91Å; Y18-Y123 HydrophobicContact CD2-CG 4.13Å; Y18-Y123 AromaticContact CE1-CD1 3.41Å; Y18-Y123 HydrophobicContact CE1-CD1 3.41Å; Y18-Y123 VanDerWaalsContact CE1-CD1 3.41Å; Y18-Y123 AromaticContact CE1-CE1 3.87Å; Y18-Y123 HydrophobicContact CE1-CE1 3.87Å; Y18-Y123 HydrophobicContact CE1-CG 4.42Å; Y18-Y123 AromaticContact CE2-CD1 3.82Å; Y18-Y123 HydrophobicContact CE2-CD1 3.82Å; Y18-Y123 HydrophobicContact CE2-CG 4.04Å; Y18-Y123 VanDerWaalsContact CE2-O 3.3Å; Y18-Y123 WeakPolarHBondContact CE2-O 3.17Å; Y18-Y123 AromaticContact CG-CD1 3.75Å; Y18-Y123 HydrophobicContact CG-CD1 3.75Å; Y18-Y123 AromaticContact CG-CE1 3.94Å; Y18-Y123 HydrophobicContact CG-CE1 3.94Å; Y18-Y123 HydrophobicContact CG-CG 4.34Å; Y18-Y123 AromaticContact CZ-CD1 3.55Å; Y18-Y123 PolarHBondContact OH-O 3.34Å; D99-Y123 WeakPolarHBondContact CB-OH 3.44Å; D99-Y123 PolarHBondContact OD2-OH 3.39Å; M119-Y123 HydrophobicContact CB-CD2 4.09Å; M119-Y123 HydrophobicContact CB-CE2 4.06Å; M119-Y123 HydrophobicContact CE-CD2 4.13Å; M119-Y123 HydrophobicContact CE-CE1 4.09Å; M119-Y123 HydrophobicContact CE-CE2 3.36Å; M119-Y123 WeakPolarHBondContact CE-OH 3.48Å; M119-Y123 VanDerWaalsContact O-CB 3.27Å; M119-Y123 WeakPolarHBondContact O-CB 3.3Å; M119-Y123 WeakPolarHBondContact O-CD2 3.48Å; M119-Y123 VanDerWaalsContact O-CG 3.3Å; M119-Y123 PolarHBondContact O-N 2.82Å; L120-Y123 PolarHBondContact O-N 2.87Å; Y123-N125 VanDerWaalsContact C-N 3.31Å
124S94.5Very high94.8Very high16 Ų169.1 Ų9.111%0.1124%0.044CC..THydrogen-bonded Turntrans-86.41.2171.570.20000113L120 A121 Y122 H222 N298L120-S124 VanDerWaalsContact O-CB 3.26Å; L120-S124 WeakPolarHBondContact O-CB 3.28Å; L120-S124 PolarHBondContact O-N 3.22Å; L120-S124 PolarHBondContact O-OG 2.95Å; A121-S124 PolarHBondContact O-OG 3.13Å; Y122-S124 VanDerWaalsContact C-N 3.31Å; Y122-S124 PolarHBondContact O-N 3.26Å; S124-H222 PolarHBondContact OG-CE1 2.93Å; S124-H222 PolarHBondContact OG-NE2 3.5Å; S124-N298 WeakPolarHBondContact O-CB 3.39Å; S124-N298 PolarHBondContact O-OD1 3.46Å
125N97.5Very high94.8Very high1 Ų19.2 Ų9.21%0.0055%0.045CC..  trans-84.6123.5177.6-179.3-98.9000111.1A121 Y122 Y123 F127 Q128 F129 V218 V265A121-N125 PolarHBondContact O-N 2.86Å; Y122-N125 WeakPolarHBondContact O-CB 3.3Å; Y122-N125 PolarHBondContact O-N 2.99Å; Y123-N125 VanDerWaalsContact C-N 3.31Å; N125-F127 VanDerWaalsContact C-N 3.34Å; N125-F127 PolarHBondContact O-N 2.98Å; N125-F127 PolarHBondContact OD1-N 3.37Å; N125-Q128 HydrophobicContact CB-CB 4.07Å; N125-Q128 PolarHBondContact OD1-N 3.32Å; N125-F129 PolarHBondContact O-N 3.29Å; N125-F129 VanDerWaalsContact O-N 3.08Å; N125-V218 PolarHBondContact ND2-O 2.9Å; N125-V265 HydrophobicContact CB-CG1 4.3Å
126W97.9Very high94.7Very high25 Ų259.2 Ų9.210%0.0955%0.045CC..Hα-helixtrans-63.8-39.1-175.580.1-88.7000113.1F129 F130 S217 N298 L301 A302 T305W126-F129 WeakPolarHBondContact O-CB 3.38Å; W126-F129 PolarHBondContact O-N 3.33Å; W126-F130 HydrophobicContact CE3-CB 4.23Å; W126-F130 HydrophobicContact CZ3-CB 4.36Å; W126-F130 HydrophobicContact CZ3-CD1 4.1Å; W126-F130 HydrophobicContact CZ3-CG 4.36Å; W126-F130 VanDerWaalsContact O-CB 3.24Å; W126-F130 WeakPolarHBondContact O-CB 3.42Å; W126-F130 PolarHBondContact O-N 2.96Å; W126-S217 PolarHBondContact NE1-O 2.92Å; W126-N298 HydrophobicContact CB-CB 4.06Å; W126-N298 WeakPolarHBondContact CB-O 3.33Å; W126-N298 VanDerWaalsContact CD1-OD1 3.28Å; W126-N298 PolarHBondContact N-OD1 3.43Å; W126-L301 HydrophobicContact CB-CB 4.22Å; W126-L301 HydrophobicContact CD2-CB 4.31Å; W126-L301 HydrophobicContact CD2-CD2 3.47Å; W126-L301 VanDerWaalsContact CD2-CD2 3.47Å; W126-L301 HydrophobicContact CD2-CG 3.65Å; W126-L301 HydrophobicContact CE3-CD2 4.04Å; W126-L301 HydrophobicContact CE3-CG 3.78Å; W126-L301 HydrophobicContact CG-CB 4.14Å; W126-L301 HydrophobicContact CG-CD2 3.78Å; W126-L301 HydrophobicContact CG-CG 3.99Å; W126-L301 HydrophobicContact CH2-CD2 4.28Å; W126-L301 HydrophobicContact CZ2-CD2 3.78Å; W126-L301 HydrophobicContact CZ2-CG 4.48Å; W126-L301 HydrophobicContact CZ3-CD2 4.41Å; W126-L301 HydrophobicContact CZ3-CG 4.25Å; W126-A302 HydrophobicContact CB-CB 3.98Å; W126-T305 HydrophobicContact CE3-CG2 4.23Å; W126-T305 HydrophobicContact CH2-CG2 4.48Å; W126-T305 HydrophobicContact CZ3-CG2 3.72Å
127F98Very high94.8Very high1 Ų113.1 Ų13.10%0.0047%0.066CC..Hα-helixtrans-72.7-40.4-173.3-169.1-115.1000110.8F30 N125 F129 F130 C131 V218 F258 R259 L262 V265F30-F127 HydrophobicContact CE1-CE2 4.44Å; F30-F127 AromaticContact CZ-CE2 3.91Å; F30-F127 HydrophobicContact CZ-CE2 3.91Å; F30-F127 HydrophobicContact CZ-CZ 4.14Å; N125-F127 VanDerWaalsContact C-N 3.34Å; N125-F127 PolarHBondContact O-N 2.98Å; N125-F127 PolarHBondContact OD1-N 3.37Å; F127-F129 VanDerWaalsContact C-N 3.34Å; F127-F130 PolarHBondContact O-N 2.67Å; F127-C131 VanDerWaalsContact CE2-SG 3.56Å; F127-C131 VanDerWaalsContact CZ-SG 3.57Å; F127-C131 WeakPolarHBondContact O-CB 3.25Å; F127-C131 PolarHBondContact O-N 3.41Å; F127-C131 PolarHBondContact O-SG 2.77Å; F127-V218 HydrophobicContact CB-CG1 4.13Å; F127-V218 HydrophobicContact CD1-CB 4.38Å; F127-V218 HydrophobicContact CD1-CG1 3.74Å; F127-V218 HydrophobicContact CD1-CG2 3.85Å; F127-V218 HydrophobicContact CE1-CG2 4.09Å; F127-V218 HydrophobicContact CG-CG1 4.17Å; F127-V218 HydrophobicContact CG-CG2 4.11Å; F127-F258 VanDerWaalsContact CE1-O 3.32Å; F127-F258 WeakPolarHBondContact CE1-O 3.3Å; F127-F258 HydrophobicContact CE2-CB 3.92Å; F127-F258 VanDerWaalsContact CZ-C 3.45Å; F127-F258 HydrophobicContact CZ-CB 3.72Å; F127-F258 WeakPolarHBondContact CZ-O 3.35Å; F127-R259 HydrophobicContact CZ-CB 4.4Å; F127-L262 HydrophobicContact CD1-CD1 4.26Å; F127-L262 HydrophobicContact CE1-CB 4.22Å; F127-L262 HydrophobicContact CE1-CD1 4.31Å; F127-V265 HydrophobicContact CD1-CG2 4.45Å
128Q96.8Very high94.9Very high1 Ų113.2 Ų13.21%0.0057%0.067CC..Hα-helixtrans-55.2-50.8167.2-173.4-73.3-19.600111Y18 Y122 N125 F130 C131 A132 V265Y18-Q128 PolarHBondContact OH-OE1 3.1Å; Y122-Q128 HydrophobicContact CD2-CG 3.87Å; Y122-Q128 HydrophobicContact CE1-CG 4.01Å; Y122-Q128 VanDerWaalsContact CE1-NE2 3.26Å; Y122-Q128 HydrophobicContact CE2-CB 4.37Å; Y122-Q128 HydrophobicContact CE2-CG 3.28Å; Y122-Q128 HydrophobicContact CG-CG 4.46Å; Y122-Q128 PolarHBondContact OH-NE2 3.41Å; N125-Q128 HydrophobicContact CB-CB 4.07Å; N125-Q128 PolarHBondContact OD1-N 3.32Å; Q128-F130 PolarHBondContact O-N 3.15Å; Q128-C131 PolarHBondContact O-N 3.31Å; Q128-A132 WeakPolarHBondContact O-CB 3.36Å; Q128-A132 PolarHBondContact O-N 2.96Å; Q128-V265 HydrophobicContact CB-CG1 4.07Å
129F96.7Very high94.9Very high20 Ų2013.5 Ų13.59%0.0887%0.069CC..Hα-helixtrans-59.1-42-177.4-179.1-81.5000110.3Y18 L21 N22 L25 V26 N125 W126 F127 A302Y18-F129 HydrophobicContact CE1-CD2 4.33Å; Y18-F129 AromaticContact CE2-CD2 3.86Å; Y18-F129 HydrophobicContact CE2-CD2 3.86Å; Y18-F129 HydrophobicContact CE2-CE2 4.34Å; Y18-F129 AromaticContact CZ-CD2 3.61Å; Y18-F129 WeakPolarHBondContact OH-CB 3.21Å; Y18-F129 WeakPolarHBondContact OH-CD2 3.11Å; L21-F129 HydrophobicContact CB-CE2 4.36Å; N22-F129 WeakPolarHBondContact ND2-CD2 3.28Å; N22-F129 WeakPolarHBondContact ND2-CE2 3.44Å; N22-F129 VanDerWaalsContact ND2-CG 3.29Å; N22-F129 WeakPolarHBondContact ND2-CG 3.06Å; N22-F129 PolarHBondContact ND2-O 3.04Å; L25-F129 HydrophobicContact CB-CE1 4.1Å; L25-F129 HydrophobicContact CB-CZ 3.96Å; L25-F129 HydrophobicContact CD1-CZ 3.99Å; V26-F129 HydrophobicContact CG2-CD1 4.2Å; V26-F129 HydrophobicContact CG2-CE1 3.92Å; N125-F129 PolarHBondContact O-N 3.29Å; N125-F129 VanDerWaalsContact O-N 3.08Å; W126-F129 WeakPolarHBondContact O-CB 3.38Å; W126-F129 PolarHBondContact O-N 3.33Å; F127-F129 VanDerWaalsContact C-N 3.34Å; F129-A302 HydrophobicContact CB-CB 4.25Å; F129-A302 HydrophobicContact CD1-CB 3.79Å; F129-A302 HydrophobicContact CE1-CB 4.49Å; F129-A302 HydrophobicContact CG-CB 4.12Å
130F96.4Very high94.8Very high6 Ų614.6 Ų14.63%0.0268%0.075CC..Hα-helixtrans-71.7-35.6-177.5-179.2-118.1000113.9V26 F30 W126 F127 Q128 R134 T305V26-F130 HydrophobicContact CG1-CD2 4.42Å; F30-F130 HydrophobicContact CB-CE1 3.89Å; F30-F130 HydrophobicContact CB-CZ 3.78Å; F30-F130 AromaticContact CD1-CE1 3.92Å; F30-F130 HydrophobicContact CD1-CE1 3.92Å; F30-F130 AromaticContact CD2-CE1 3.53Å; F30-F130 HydrophobicContact CD2-CE1 3.53Å; F30-F130 HydrophobicContact CD2-CZ 4.07Å; F30-F130 HydrophobicContact CE1-CE1 4.33Å; F30-F130 AromaticContact CE2-CE1 3.98Å; F30-F130 HydrophobicContact CE2-CE1 3.98Å; F30-F130 AromaticContact CG-CE1 3.5Å; F30-F130 HydrophobicContact CG-CE1 3.5Å; F30-F130 VanDerWaalsContact CG-CE1 3.5Å; F30-F130 AromaticContact CG-CZ 3.92Å; F30-F130 HydrophobicContact CG-CZ 3.92Å; F30-F130 HydrophobicContact CZ-CE1 4.36Å; W126-F130 HydrophobicContact CE3-CB 4.23Å; W126-F130 HydrophobicContact CZ3-CB 4.36Å; W126-F130 HydrophobicContact CZ3-CD1 4.1Å; W126-F130 HydrophobicContact CZ3-CG 4.36Å; W126-F130 VanDerWaalsContact O-CB 3.24Å; W126-F130 WeakPolarHBondContact O-CB 3.42Å; W126-F130 PolarHBondContact O-N 2.96Å; F127-F130 PolarHBondContact O-N 2.67Å; Q128-F130 PolarHBondContact O-N 3.15Å; F130-R134 VanDerWaalsContact CZ-NH2 3.33Å; F130-R134 WeakPolarHBondContact O-CD 3.27Å; F130-R134 WeakPolarHBondContact O-CG 3.03Å; F130-R134 PolarHBondContact O-NE 3.38Å; F130-T305 WeakPolarHBondContact CD2-OG1 3.41Å; F130-T305 VanDerWaalsContact CE2-O 3.24Å; F130-T305 WeakPolarHBondContact CE2-O 3.44Å
131C95.8Very high94.9Very high0 Ų014.4 Ų14.40%07%0.073CC..Hα-helixtrans-97.8-27.7-175-650000114.5F127 Q128 S133 R134 L136 T139 L262F127-C131 VanDerWaalsContact CE2-SG 3.56Å; F127-C131 VanDerWaalsContact CZ-SG 3.57Å; F127-C131 WeakPolarHBondContact O-CB 3.25Å; F127-C131 PolarHBondContact O-N 3.41Å; F127-C131 PolarHBondContact O-SG 2.77Å; Q128-C131 PolarHBondContact O-N 3.31Å; C131-S133 VanDerWaalsContact C-N 3.26Å; C131-S133 PolarHBondContact O-N 2.82Å; C131-S133 VanDerWaalsContact O-N 3.17Å; C131-R134 WeakPolarHBondContact O-CB 3.47Å; C131-R134 PolarHBondContact O-N 3.3Å; C131-L136 HydrophobicContact CB-CD1 4.34Å; C131-T139 PolarHBondContact O-OG1 2.78Å; C131-L262 HydrophobicContact CB-CD1 3.91Å; C131-L262 HydrophobicContact CB-CD2 3.66Å; C131-L262 HydrophobicContact CB-CG 4.44Å
132A91.1Very high95.1Very high6 Ų614.6 Ų14.65%0.057%0.074CC..THydrogen-bonded Turntrans-67.3-20.9-167.300000115.1Q128 T139Q128-A132 WeakPolarHBondContact O-CB 3.36Å; Q128-A132 PolarHBondContact O-N 2.96Å; A132-T139 VanDerWaalsContact O-CG2 3.32Å; A132-T139 WeakPolarHBondContact O-CG2 3.28Å
133S90.8Very high95Very high0 Ų014.2 Ų14.20%07%0.074CC..THydrogen-bonded Turntrans-90.9-12.6172.552.10000113.9C92 C131C92-S133 WeakPolarHBondContact SG-CB 3.46Å; C131-S133 VanDerWaalsContact C-N 3.26Å; C131-S133 PolarHBondContact O-N 2.82Å; C131-S133 VanDerWaalsContact O-N 3.17Å
134R93.6Very high95Very high4 Ų417.4 Ų17.42%0.0159%0.092CC..SBendtrans-79.7148.7-175.1-63.3-173.8174.9-84.7-1.8111.5V26 T28 E34 F130 C131 L136 T139V26-R134 HydrophobicContact CG1-CG 4.25Å; V26-R134 VanDerWaalsContact CG1-NH2 3.35Å; T28-R134 VanDerWaalsContact O-CZ 3.27Å; T28-R134 PolarHBondContact O-NH1 3.04Å; T28-R134 PolarHBondContact O-NH2 3.47Å; T28-R134 PolarHBondContact OG1-NH2 3.17Å; T28-R134 VanDerWaalsContact OG1-NH2 3.07Å; E34-R134 HydrophobicContact CG-CB 4.42Å; E34-R134 VanDerWaalsContact OE1-CB 3.24Å; E34-R134 WeakPolarHBondContact OE1-CB 3.34Å; E34-R134 VanDerWaalsContact OE1-CG 3.23Å; E34-R134 WeakPolarHBondContact OE1-CG 3.23Å; E34-R134 IonicContact OE1-NH1 3.49Å; E34-R134 PolarHBondContact OE1-NH1 2.78Å; E34-R134 VanDerWaalsContact OE1-NH1 3.07Å; E34-R134 IonicContact OE2-CZ 2.96Å; E34-R134 IonicContact OE2-NH1 2.72Å; E34-R134 PolarHBondContact OE2-NH1 3.25Å; F130-R134 VanDerWaalsContact CZ-NH2 3.33Å; F130-R134 WeakPolarHBondContact O-CD 3.27Å; F130-R134 WeakPolarHBondContact O-CG 3.03Å; F130-R134 PolarHBondContact O-NE 3.38Å; C131-R134 WeakPolarHBondContact O-CB 3.47Å; C131-R134 PolarHBondContact O-N 3.3Å; R134-L136 HydrophobicContact CB-CD1 4.1Å; R134-L136 HydrophobicContact CB-CG 4.01Å; R134-L136 PolarHBondContact O-N 3.27Å; R134-T139 PolarHBondContact O-OG1 3.46Å
135T93.3Very high95Very high3 Ų318.9 Ų18.92%0.01810%0.1CC..  trans-77.236-179.251.80000113.6E34 T38 L39 Y65 F69E34-T135 WeakPolarHBondContact CG-OG1 3.24Å; E34-T135 PolarHBondContact O-OG1 3.05Å; T38-T135 PolarHBondContact OG1-O 2.94Å; L39-T135 HydrophobicContact CD1-CG2 4.24Å; L39-T135 HydrophobicContact CD2-CG2 4.19Å; L39-T135 HydrophobicContact CG-CG2 4.35Å; Y65-T135 PolarHBondContact OH-O 3.23Å; F69-T135 HydrophobicContact CD1-CG2 4.49Å; F69-T135 HydrophobicContact CE1-CG2 3.52Å; F69-T135 HydrophobicContact CZ-CG2 3.73Å
136L93.4Very high94.9Very high0 Ų019 Ų190%010%0.101CC..  trans-79139.9176.9-61.6167.8000111.1F30 V31 E34 Y65 C131 R134 N138 T139 V140F30-L136 HydrophobicContact CD1-CD1 3.97Å; F30-L136 HydrophobicContact CE1-CD1 4.01Å; V31-L136 HydrophobicContact CG2-CD2 3.4Å; E34-L136 HydrophobicContact CB-CD2 3.77Å; E34-L136 HydrophobicContact CB-CG 4.47Å; E34-L136 HydrophobicContact CG-CD2 4.47Å; Y65-L136 PolarHBondContact OH-O 3.35Å; C131-L136 HydrophobicContact CB-CD1 4.34Å; R134-L136 HydrophobicContact CB-CD1 4.1Å; R134-L136 HydrophobicContact CB-CG 4.01Å; R134-L136 PolarHBondContact O-N 3.27Å; L136-N138 PolarHBondContact O-N 3.45Å; L136-T139 VanDerWaalsContact O-CB 3.29Å; L136-T139 WeakPolarHBondContact O-CB 3.37Å; L136-T139 PolarHBondContact O-N 3.24Å; L136-V140 PolarHBondContact O-N 2.88Å
137L93.2Very high94.6Very high82 Ų8219.3 Ų19.343%0.42910%0.104SC..Hα-helixtrans-57.5-35.2169.8-176.862.4000111.7Y65 T139 V140 E141Y65-L137 HydrophobicContact CD1-CB 4.13Å; Y65-L137 HydrophobicContact CD1-CD1 3.69Å; Y65-L137 HydrophobicContact CD1-CG 4.46Å; Y65-L137 HydrophobicContact CD2-CD1 4.36Å; Y65-L137 HydrophobicContact CE1-CB 3.92Å; Y65-L137 HydrophobicContact CE1-CD1 4.1Å; Y65-L137 HydrophobicContact CG-CD1 3.82Å; L137-T139 PolarHBondContact O-N 2.9Å; L137-V140 PolarHBondContact O-N 2.82Å; L137-V140 VanDerWaalsContact O-N 3.17Å; L137-E141 WeakPolarHBondContact O-CB 3.16Å; L137-E141 PolarHBondContact O-N 2.61Å
138N95Very high94.2Very high13 Ų1322.6 Ų22.67%0.0713%0.127CC..Hα-helixtrans-65-26.4176.2-59.3101.4000113.2L136 E141 S142 R259 L262L136-N138 PolarHBondContact O-N 3.45Å; N138-E141 PolarHBondContact ND2-OE2 2.98Å; N138-S142 VanDerWaalsContact O-CB 3.25Å; N138-S142 WeakPolarHBondContact O-CB 3.42Å; N138-S142 PolarHBondContact O-N 3.38Å; N138-R259 PolarHBondContact OD1-NH1 3.23Å; N138-L262 HydrophobicContact CB-CB 4.48Å; N138-L262 HydrophobicContact CB-CD2 4.24Å
139T94.9Very high94Very high7 Ų723.3 Ų23.34%0.04313%0.132CC..Hα-helixtrans-68.2-44.1173.7-640000110.1C91 C131 A132 R134 L136 L137 S142 A143C91-T139 HydrophobicContact CB-CG2 4.16Å; C131-T139 PolarHBondContact O-OG1 2.78Å; A132-T139 VanDerWaalsContact O-CG2 3.32Å; A132-T139 WeakPolarHBondContact O-CG2 3.28Å; R134-T139 PolarHBondContact O-OG1 3.46Å; L136-T139 VanDerWaalsContact O-CB 3.29Å; L136-T139 WeakPolarHBondContact O-CB 3.37Å; L136-T139 PolarHBondContact O-N 3.24Å; L137-T139 PolarHBondContact O-N 2.9Å; T139-S142 PolarHBondContact O-N 3.31Å; T139-A143 PolarHBondContact O-N 3.04Å
140V93.6Very high93.6Very high23 Ų2322.3 Ų22.314%0.13913%0.128CC..Hα-helixtrans-66.5-43.8174.4175.90000111.5Y65 L94 L136 L137 S142 A143 L144Y65-V140 HydrophobicContact CD2-CG2 4.21Å; Y65-V140 HydrophobicContact CE2-CB 4.21Å; Y65-V140 HydrophobicContact CE2-CG2 3.34Å; L94-V140 HydrophobicContact CD2-CB 4.11Å; L94-V140 HydrophobicContact CD2-CG1 3.87Å; L94-V140 HydrophobicContact CD2-CG2 3.89Å; L136-V140 PolarHBondContact O-N 2.88Å; L137-V140 PolarHBondContact O-N 2.82Å; L137-V140 VanDerWaalsContact O-N 3.17Å; V140-S142 PolarHBondContact O-N 3.21Å; V140-A143 PolarHBondContact O-N 2.9Å; V140-L144 HydrophobicContact CG1-CD1 3.72Å; V140-L144 HydrophobicContact CG1-CG 4.08Å; V140-L144 WeakPolarHBondContact O-CB 3.19Å; V140-L144 VanDerWaalsContact O-CG 3.29Å; V140-L144 WeakPolarHBondContact O-CG 3.3Å; V140-L144 PolarHBondContact O-N 2.78Å
141E95Very high93.1Very high57 Ų5726.1 Ų26.127%0.26614%0.142SC..Hα-helixtrans-53.9-52173.5-177-169.318000110.8L137 N138 A143 L144 V145 Y246 P263L137-E141 WeakPolarHBondContact O-CB 3.16Å; L137-E141 PolarHBondContact O-N 2.61Å; N138-E141 PolarHBondContact ND2-OE2 2.98Å; E141-A143 PolarHBondContact O-N 3.12Å; E141-L144 PolarHBondContact O-N 3.32Å; E141-V145 HydrophobicContact CG-CG2 4.44Å; E141-V145 WeakPolarHBondContact O-CB 3.47Å; E141-V145 VanDerWaalsContact O-CG2 3.24Å; E141-V145 WeakPolarHBondContact O-CG2 3.41Å; E141-V145 PolarHBondContact O-N 2.73Å; E141-Y246 PolarHBondContact OE1-OH 3.02Å; E141-Y246 VanDerWaalsContact OE1-OH 3.1Å; E141-P263 HydrophobicContact CB-CG 4.37Å; E141-P263 VanDerWaalsContact CD-CG 3.43Å; E141-P263 HydrophobicContact CG-CG 3.82Å
142S97Very high92.2Very high7 Ų730.2 Ų30.25%0.04916%0.164CC..Hα-helixtrans-57.8-46.6179.1-174.10000111.6N138 T139 V140 V145 I146 L262N138-S142 VanDerWaalsContact O-CB 3.25Å; N138-S142 WeakPolarHBondContact O-CB 3.42Å; N138-S142 PolarHBondContact O-N 3.38Å; T139-S142 PolarHBondContact O-N 3.31Å; V140-S142 PolarHBondContact O-N 3.21Å; S142-V145 PolarHBondContact O-N 3.46Å; S142-I146 WeakPolarHBondContact O-CG1 3.24Å; S142-I146 PolarHBondContact O-N 3.45Å; S142-L262 PolarHBondContact OG-O 3.44Å
143A95.8Very high91.3Very high7 Ų733.5 Ų33.56%0.05818%0.18CC..Hα-helixtrans-64.2-45.617800000112.8L94 A98 T139 V140 E141 I146 I147L94-A143 HydrophobicContact CD1-CB 4.24Å; L94-A143 HydrophobicContact CD2-CB 3.81Å; L94-A143 HydrophobicContact CG-CB 3.61Å; A98-A143 HydrophobicContact CB-CB 3.76Å; T139-A143 PolarHBondContact O-N 3.04Å; V140-A143 PolarHBondContact O-N 2.9Å; E141-A143 PolarHBondContact O-N 3.12Å; A143-I146 PolarHBondContact O-N 3.07Å; A143-I147 VanDerWaalsContact O-CG1 3.25Å; A143-I147 WeakPolarHBondContact O-CG1 3.47Å; A143-I147 PolarHBondContact O-N 2.86Å
144L93.9Very high90.2Very high87 Ų8738 Ų3846%0.45520%0.201SC..Hα-helixtrans-67.1-37.2179.4-70.3179.2000112.2V140 E141 I146 I147 S148V140-L144 HydrophobicContact CG1-CD1 3.72Å; V140-L144 HydrophobicContact CG1-CG 4.08Å; V140-L144 WeakPolarHBondContact O-CB 3.19Å; V140-L144 VanDerWaalsContact O-CG 3.29Å; V140-L144 WeakPolarHBondContact O-CG 3.3Å; V140-L144 PolarHBondContact O-N 2.78Å; E141-L144 PolarHBondContact O-N 3.32Å; L144-I146 VanDerWaalsContact C-N 3.31Å; L144-I146 PolarHBondContact O-N 3.45Å; L144-I147 PolarHBondContact O-N 2.74Å; L144-S148 WeakPolarHBondContact O-CB 3.46Å; L144-S148 PolarHBondContact O-N 3.48Å; L144-S148 PolarHBondContact O-OG 2.99Å
145V94.6Very high88.6Confident47 Ų4742.3 Ų42.329%0.28522%0.223SC..Hα-helixtrans-59.3-44.2173.9164.40000110.2E141 S142 S149 L267E141-V145 HydrophobicContact CG-CG2 4.44Å; E141-V145 WeakPolarHBondContact O-CB 3.47Å; E141-V145 VanDerWaalsContact O-CG2 3.24Å; E141-V145 WeakPolarHBondContact O-CG2 3.41Å; E141-V145 PolarHBondContact O-N 2.73Å; S142-V145 PolarHBondContact O-N 3.46Å; V145-S149 WeakPolarHBondContact O-CB 3.23Å; V145-S149 PolarHBondContact O-N 3.11Å; V145-S149 PolarHBondContact O-OG 3.23Å; V145-L267 HydrophobicContact CG1-CD1 3.93Å
146I95.5Very high86.8Confident4 Ų448.5 Ų48.52%0.02126%0.261CS..Hα-helixtrans-67-48.3177.6-68.7-49.9000112.4A98 R101 L102 L105 S142 A143 L144 S148 S149 S150 P266 L267A98-I146 HydrophobicContact CB-CB 4.49Å; A98-I146 HydrophobicContact CB-CG2 4.4Å; A98-I146 WeakPolarHBondContact O-CG2 3.35Å; R101-I146 HydrophobicContact CB-CG2 4.13Å; L102-I146 HydrophobicContact CB-CG2 3.84Å; L102-I146 HydrophobicContact CD1-CD1 4.14Å; L105-I146 HydrophobicContact CD2-CD1 4.42Å; S142-I146 WeakPolarHBondContact O-CG1 3.24Å; S142-I146 PolarHBondContact O-N 3.45Å; A143-I146 PolarHBondContact O-N 3.07Å; L144-I146 VanDerWaalsContact C-N 3.31Å; L144-I146 PolarHBondContact O-N 3.45Å; I146-S148 VanDerWaalsContact C-N 3.32Å; I146-S148 PolarHBondContact O-N 3Å; I146-S149 PolarHBondContact O-N 2.91Å; I146-S150 PolarHBondContact O-N 3.44Å; I146-P266 HydrophobicContact CD1-CB 3.6Å; I146-P266 HydrophobicContact CD1-CG 3.62Å; I146-P266 HydrophobicContact CG1-CB 3.67Å; I146-P266 HydrophobicContact CG1-CG 3.53Å; I146-L267 HydrophobicContact CD1-CD2 3.43Å; I146-L267 VanDerWaalsContact CD1-CD2 3.43Å; I146-L267 HydrophobicContact CD1-CG 3.83Å
147I93Very high85Confident30 Ų3056.4 Ų56.415%0.15430%0.3CS..Hα-helixtrans-58.4-49.1178.8-67.2164.9000109.6L94 A98 R101 A143 L144 S149 S150 Y151L94-I147 HydrophobicContact CD1-CD1 3.85Å; A98-I147 HydrophobicContact CB-CG1 4.41Å; R101-I147 HydrophobicContact CB-CG1 4.3Å; R101-I147 HydrophobicContact CG-CG1 4.06Å; A143-I147 VanDerWaalsContact O-CG1 3.25Å; A143-I147 WeakPolarHBondContact O-CG1 3.47Å; A143-I147 PolarHBondContact O-N 2.86Å; L144-I147 PolarHBondContact O-N 2.74Å; I147-S149 PolarHBondContact O-N 3.28Å; I147-S150 PolarHBondContact O-N 3.41Å; I147-S150 PolarHBondContact O-OG 3.03Å; I147-Y151 HydrophobicContact CG2-CD2 3.99Å; I147-Y151 HydrophobicContact CG2-CE2 3.68Å; I147-Y151 WeakPolarHBondContact O-CD2 3.07Å; I147-Y151 PolarHBondContact O-N 3.4Å
148S89.7Confident83.3Confident71 Ų7161.3 Ų61.350%0.49732%0.318SS..Hα-helixtrans-64.3-42.8-179.8-53.90000112.1L144 I146 S150 Y151 L152L144-S148 WeakPolarHBondContact O-CB 3.46Å; L144-S148 PolarHBondContact O-N 3.48Å; L144-S148 PolarHBondContact O-OG 2.99Å; I146-S148 VanDerWaalsContact C-N 3.32Å; I146-S148 PolarHBondContact O-N 3Å; S148-S150 VanDerWaalsContact C-N 3.32Å; S148-S150 PolarHBondContact O-N 3.28Å; S148-Y151 PolarHBondContact O-N 3.37Å; S148-L152 WeakPolarHBondContact O-CB 3.11Å; S148-L152 PolarHBondContact O-N 3.4Å
149S91Very high81.8Confident15 Ų1566.2 Ų66.211%0.10534%0.344CS..Hα-helixtrans-62.8-37.8177.9-63.90000112.3V145 I146 I147 Y151 L152 F239V145-S149 WeakPolarHBondContact O-CB 3.23Å; V145-S149 PolarHBondContact O-N 3.11Å; V145-S149 PolarHBondContact O-OG 3.23Å; I146-S149 PolarHBondContact O-N 2.91Å; I147-S149 PolarHBondContact O-N 3.28Å; S149-Y151 VanDerWaalsContact C-N 3.34Å; S149-Y151 PolarHBondContact O-N 3.34Å; S149-L152 PolarHBondContact O-N 2.91Å; S149-F239 WeakPolarHBondContact OG-CE1 3.48Å
150S89.8Confident80.6Confident0 Ų070.5 Ų70.50%037%0.367CS..Hα-helixtrans-63.7-38.5176.474.50000112.4R101 I146 I147 S148R101-S150 WeakPolarHBondContact CD-OG 3.22Å; I146-S150 PolarHBondContact O-N 3.44Å; I147-S150 PolarHBondContact O-N 3.41Å; I147-S150 PolarHBondContact O-OG 3.03Å; S148-S150 VanDerWaalsContact C-N 3.32Å; S148-S150 PolarHBondContact O-N 3.28Å
151Y84.6Confident80Confident86 Ų8675 Ų7534%0.33739%0.389SS..Hα-helixtrans-80.9-29.7178.3-70.4-62.3000113.5R101 I147 S148 S149 I153 E154 L155R101-Y151 VanDerWaalsContact CZ-CZ 3.49Å; R101-Y151 PolarHBondContact NH2-OH 3.33Å; I147-Y151 HydrophobicContact CG2-CD2 3.99Å; I147-Y151 HydrophobicContact CG2-CE2 3.68Å; I147-Y151 WeakPolarHBondContact O-CD2 3.07Å; I147-Y151 PolarHBondContact O-N 3.4Å; S148-Y151 PolarHBondContact O-N 3.37Å; S149-Y151 VanDerWaalsContact C-N 3.34Å; S149-Y151 PolarHBondContact O-N 3.34Å; Y151-I153 PolarHBondContact O-N 3.18Å; Y151-E154 PolarHBondContact O-N 2.83Å; Y151-E154 VanDerWaalsContact O-N 3.13Å; Y151-L155 VanDerWaalsContact O-CB 3.31Å; Y151-L155 WeakPolarHBondContact O-CB 3.27Å; Y151-L155 WeakPolarHBondContact O-CG 2.96Å; Y151-L155 PolarHBondContact O-N 3.33Å
152L78.1Confident79.5Confident85 Ų8574.5 Ų74.545%0.44540%0.395SS..Hα-helixtrans-62.5-30.4178.2-177.363.5000112S148 S149 M157S148-L152 WeakPolarHBondContact O-CB 3.11Å; S148-L152 PolarHBondContact O-N 3.4Å; S149-L152 PolarHBondContact O-N 2.91Å; L152-M157 HydrophobicContact CD1-SD 4.44Å
153I71.8Confident78.9Confident76 Ų7677.9 Ų77.939%0.3942%0.415SS..Hα-helixtrans-75.3-36.7174.6-63.2-174.4000111.4L105 Q108 L109 Y151 F239L105-I153 HydrophobicContact CD1-CD1 3.28Å; L105-I153 HydrophobicContact CD1-CG1 4.24Å; Q108-I153 HydrophobicContact CB-CG2 4.34Å; L109-I153 HydrophobicContact CD1-CD1 4.49Å; L109-I153 HydrophobicContact CD2-CD1 3.52Å; L109-I153 HydrophobicContact CG-CD1 3.81Å; Y151-I153 PolarHBondContact O-N 3.18Å; I153-F239 HydrophobicContact CD1-CE2 4.09Å; I153-F239 HydrophobicContact CD1-CZ 4.36Å
154E67.5Low78.3Confident93 Ų9380.5 Ų80.544%0.43543%0.43SS..Hα-helixtrans-74.2-36.4178.8-67.6176-173.100112.7Q108 Y151Q108-E154 PolarHBondContact NE2-OE1 3.25Å; Y151-E154 PolarHBondContact O-N 2.83Å; Y151-E154 VanDerWaalsContact O-N 3.13Å
155L60.1Low78.1Confident95 Ų9581.4 Ų81.450%0.49743%0.434SS..SBendtrans-95.3113.5-174.8-69.2162.2000110Y151 M157Y151-L155 VanDerWaalsContact O-CB 3.31Å; Y151-L155 WeakPolarHBondContact O-CB 3.27Å; Y151-L155 WeakPolarHBondContact O-CG 2.96Å; Y151-L155 PolarHBondContact O-N 3.33Å; L155-M157 VanDerWaalsContact C-N 3.27Å; L155-M157 PolarHBondContact O-N 3.02Å
156T55.4Low77.9Confident133 Ų13385.1 Ų85.182%0.81645%0.451SS*.  trans-55.481.3168.8-27.50000111.3K158T156-K158 PolarHBondContact O-N 3.05Å
157M54.7Low77.7Confident166 Ų16689.3 Ų89.382%0.81848%0.477SS*.SBendtrans41.55.8168-70-73.2-110.800119.4L152 L155 L159L152-M157 HydrophobicContact CD1-SD 4.44Å; L155-M157 VanDerWaalsContact C-N 3.27Å; L155-M157 PolarHBondContact O-N 3.02Å; M157-L159 PolarHBondContact O-N 2.93Å
158K58Low77.6Confident185 Ų18592 Ų9280%0.80449%0.494SS*.  trans-90.654168.7-68.7-174.8-179.4179.90107.7T156 N160T156-K158 PolarHBondContact O-N 3.05Å; K158-N160 PolarHBondContact O-N 3.48Å
159L64Low77.8Confident117 Ų11791.3 Ų91.361%0.61349%0.494SS*.  trans-51.1112.4156.6177.266000104.9M157 L161 V164M157-L159 PolarHBondContact O-N 2.93Å; L159-L161 VanDerWaalsContact C-N 3.31Å; L159-L161 PolarHBondContact O-N 2.86Å; L159-V164 HydrophobicContact CD1-CG2 4.32Å; L159-V164 HydrophobicContact CD2-CG2 3.99Å; L159-V164 HydrophobicContact CG-CG2 4.07Å
160N70.1Confident78Confident97 Ų9796.8 Ų96.852%0.51952%0.515SS..  trans-67.499.1-172.5-169.3-10.5000106.6K158 A162 V163 V164K158-N160 PolarHBondContact O-N 3.48Å; N160-A162 PolarHBondContact O-N 3.32Å; N160-A162 WeakPolarHBondContact OD1-CB 3.36Å; N160-A162 PolarHBondContact OD1-N 3.3Å; N160-V163 HydrophobicContact CB-CB 4.39Å; N160-V163 HydrophobicContact CB-CG2 3.88Å; N160-V163 WeakPolarHBondContact O-CA 3.35Å; N160-V163 WeakPolarHBondContact O-CB 3.3Å; N160-V163 PolarHBondContact O-N 3.08Å; N160-V164 PolarHBondContact O-N 2.03Å
161L79.8Confident78.2Confident116 Ų11697.9 Ų97.961%0.60753%0.525SS*.Hα-helixtrans-48.9-31.3178-178.962.8000110.1L159 V163 V164 M165L159-L161 VanDerWaalsContact C-N 3.31Å; L159-L161 PolarHBondContact O-N 2.86Å; L161-V163 PolarHBondContact O-N 3.47Å; L161-V164 PolarHBondContact O-N 2.53Å; L161-M165 HydrophobicContact CD1-CG 4.41Å; L161-M165 HydrophobicContact CG-CE 3.98Å; L161-M165 HydrophobicContact CG-CG 4.31Å; L161-M165 HydrophobicContact CG-SD 4.15Å; L161-M165 WeakPolarHBondContact O-CB 3.5Å; L161-M165 VanDerWaalsContact O-CG 3.22Å; L161-M165 WeakPolarHBondContact O-CG 3.08Å; L161-M165 PolarHBondContact O-N 2.81Å
162A84.5Confident78.7Confident47 Ų4795.4 Ų95.439%0.38852%0.522SS..Hα-helixtrans-60.4-39.3173.400000113.8N160 M165 L166N160-A162 PolarHBondContact O-N 3.32Å; N160-A162 WeakPolarHBondContact OD1-CB 3.36Å; N160-A162 PolarHBondContact OD1-N 3.3Å; A162-M165 HydrophobicContact CB-CE 4.42Å; A162-L166 WeakPolarHBondContact O-CB 3.04Å; A162-L166 PolarHBondContact O-N 3.1Å
163V84.6Confident79.6Confident79 Ų7995.1 Ų95.148%0.47952%0.521SS..Hα-helixtrans-67.3-44.8176.3175.90000110.3N160 L161 M165 L166 V167N160-V163 HydrophobicContact CB-CB 4.39Å; N160-V163 HydrophobicContact CB-CG2 3.88Å; N160-V163 WeakPolarHBondContact O-CA 3.35Å; N160-V163 WeakPolarHBondContact O-CB 3.3Å; N160-V163 PolarHBondContact O-N 3.08Å; L161-V163 PolarHBondContact O-N 3.47Å; V163-M165 PolarHBondContact O-N 3Å; V163-L166 PolarHBondContact O-N 2.91Å; V163-V167 HydrophobicContact CG1-CG2 4.33Å; V163-V167 WeakPolarHBondContact O-CB 2.99Å; V163-V167 VanDerWaalsContact O-CG2 3.31Å; V163-V167 WeakPolarHBondContact O-CG2 3.46Å; V163-V167 PolarHBondContact O-N 2.9Å
164V84.5Confident80.7Confident62 Ų6292.7 Ų92.738%0.37651%0.508SS..Hα-helixtrans-61.3-46.1176.8177.80000110.6L159 N160 L161 L166 V167 T168L159-V164 HydrophobicContact CD1-CG2 4.32Å; L159-V164 HydrophobicContact CD2-CG2 3.99Å; L159-V164 HydrophobicContact CG-CG2 4.07Å; N160-V164 PolarHBondContact O-N 2.03Å; L161-V164 PolarHBondContact O-N 2.53Å; V164-L166 PolarHBondContact O-N 3.26Å; V164-V167 PolarHBondContact O-N 3.21Å; V164-T168 VanDerWaalsContact O-CB 3.3Å; V164-T168 WeakPolarHBondContact O-CB 3.41Å; V164-T168 PolarHBondContact O-N 3.02Å; V164-T168 PolarHBondContact O-OG1 3.41Å
165M88.8Confident82.1Confident106 Ų10688.6 Ų88.652%0.52249%0.489SS..Hα-helixtrans-61.8-42.7176.1-71.5-174.7-58.300111.7L161 A162 V163 T168 A169L161-M165 HydrophobicContact CD1-CG 4.41Å; L161-M165 HydrophobicContact CG-CE 3.98Å; L161-M165 HydrophobicContact CG-CG 4.31Å; L161-M165 HydrophobicContact CG-SD 4.15Å; L161-M165 WeakPolarHBondContact O-CB 3.5Å; L161-M165 VanDerWaalsContact O-CG 3.22Å; L161-M165 WeakPolarHBondContact O-CG 3.08Å; L161-M165 PolarHBondContact O-N 2.81Å; A162-M165 HydrophobicContact CB-CE 4.42Å; V163-M165 PolarHBondContact O-N 3Å; M165-T168 PolarHBondContact O-N 2.72Å; M165-A169 VanDerWaalsContact O-CB 3.23Å; M165-A169 WeakPolarHBondContact O-CB 2.97Å; M165-A169 PolarHBondContact O-N 3.5Å
166L91.3Very high83.8Confident124 Ų12488.1 Ų88.165%0.64948%0.481SS*.Hα-helixtrans-65.1-46.5179.5-17866.2000111.9A162 V163 V164 T168 A169 F170A162-L166 WeakPolarHBondContact O-CB 3.04Å; A162-L166 PolarHBondContact O-N 3.1Å; V163-L166 PolarHBondContact O-N 2.91Å; V164-L166 PolarHBondContact O-N 3.26Å; L166-T168 VanDerWaalsContact C-N 3.33Å; L166-T168 PolarHBondContact O-N 3.02Å; L166-A169 PolarHBondContact O-N 3.05Å; L166-F170 WeakPolarHBondContact O-CB 3.44Å; L166-F170 PolarHBondContact O-N 2.59Å
167V90Very high85.8Confident93 Ų9387.8 Ų87.856%0.56447%0.473SS*.Hα-helixtrans-63.1-42177.1172.10000110.5V163 V164 F170 A171V163-V167 HydrophobicContact CG1-CG2 4.33Å; V163-V167 WeakPolarHBondContact O-CB 2.99Å; V163-V167 VanDerWaalsContact O-CG2 3.31Å; V163-V167 WeakPolarHBondContact O-CG2 3.46Å; V163-V167 PolarHBondContact O-N 2.9Å; V164-V167 PolarHBondContact O-N 3.21Å; V167-F170 PolarHBondContact O-N 3.19Å; V167-A171 WeakPolarHBondContact O-CB 3.46Å; V167-A171 PolarHBondContact O-N 2.98Å
168T90.8Very high87.7Confident85 Ų8582 Ų8252%0.52145%0.449SS..Hα-helixtrans-66.1-43.1178-54.20000111.5V164 M165 L166 F170 A171 A172V164-T168 VanDerWaalsContact O-CB 3.3Å; V164-T168 WeakPolarHBondContact O-CB 3.41Å; V164-T168 PolarHBondContact O-N 3.02Å; V164-T168 PolarHBondContact O-OG1 3.41Å; M165-T168 PolarHBondContact O-N 2.72Å; L166-T168 VanDerWaalsContact C-N 3.33Å; L166-T168 PolarHBondContact O-N 3.02Å; T168-F170 VanDerWaalsContact C-N 3.34Å; T168-A171 PolarHBondContact O-N 3.24Å; T168-A172 WeakPolarHBondContact O-CB 3.35Å; T168-A172 PolarHBondContact O-N 3.4Å
169A94.1Very high89.5Confident58 Ų5874.6 Ų74.648%0.47942%0.416SS..Hα-helixtrans-64.2-39.617600000111.8M165 L166 A172 L173M165-A169 VanDerWaalsContact O-CB 3.23Å; M165-A169 WeakPolarHBondContact O-CB 2.97Å; M165-A169 PolarHBondContact O-N 3.5Å; L166-A169 PolarHBondContact O-N 3.05Å; A169-A172 PolarHBondContact O-N 3.26Å; A169-L173 WeakPolarHBondContact O-CB 3.47Å; A169-L173 PolarHBondContact O-N 3.28Å
170F94.6Very high91Very high129 Ų12971.2 Ų71.257%0.56641%0.409SS*.Hα-helixtrans-66.1-43.5176.1-174.9-112.4000112L166 V167 T168 L173 I174L166-F170 WeakPolarHBondContact O-CB 3.44Å; L166-F170 PolarHBondContact O-N 2.59Å; V167-F170 PolarHBondContact O-N 3.19Å; T168-F170 VanDerWaalsContact C-N 3.34Å; F170-L173 PolarHBondContact O-N 3.42Å; F170-I174 HydrophobicContact CD1-CD1 3.89Å; F170-I174 HydrophobicContact CE1-CD1 3.51Å; F170-I174 HydrophobicContact CE1-CG1 4.38Å; F170-I174 HydrophobicContact CZ-CD1 3.9Å; F170-I174 HydrophobicContact CZ-CG1 4.38Å; F170-I174 WeakPolarHBondContact O-CG1 3.43Å; F170-I174 PolarHBondContact O-N 3.48Å
171A94Very high92.1Very high24 Ų2471.4 Ų71.420%0.19841%0.407CS..Hα-helixtrans-61.3-44.6174.100000111.7V167 T168 L173 I174 D175V167-A171 WeakPolarHBondContact O-CB 3.46Å; V167-A171 PolarHBondContact O-N 2.98Å; T168-A171 PolarHBondContact O-N 3.24Å; A171-L173 VanDerWaalsContact C-N 3.3Å; A171-L173 PolarHBondContact O-N 2.92Å; A171-I174 PolarHBondContact O-N 3.4Å; A171-D175 PolarHBondContact O-N 2.91Å
172A95.5Very high92.9Very high34 Ų3474.2 Ų74.228%0.28141%0.409SS..Hα-helixtrans-62.6-36.2176.100000112.5T168 A169 D175 R176 W182T168-A172 WeakPolarHBondContact O-CB 3.35Å; T168-A172 PolarHBondContact O-N 3.4Å; A169-A172 PolarHBondContact O-N 3.26Å; A172-D175 PolarHBondContact O-N 3.42Å; A172-R176 WeakPolarHBondContact O-CB 3.45Å; A172-R176 PolarHBondContact O-N 2.95Å; A172-W182 HydrophobicContact CB-CZ3 4.19Å; A172-W182 WeakPolarHBondContact O-CZ3 3.38Å
173L96.6Very high93.3Very high79 Ų7973.1 Ų73.141%0.41440%0.398SS..Hα-helixtrans-66.2-44.6174.6179.763.1000111.5A169 F170 A171 D175 R176 L177A169-L173 WeakPolarHBondContact O-CB 3.47Å; A169-L173 PolarHBondContact O-N 3.28Å; F170-L173 PolarHBondContact O-N 3.42Å; A171-L173 VanDerWaalsContact C-N 3.3Å; A171-L173 PolarHBondContact O-N 2.92Å; L173-D175 VanDerWaalsContact C-N 3.32Å; L173-D175 PolarHBondContact O-N 2.9Å; L173-R176 PolarHBondContact O-N 2.96Å; L173-L177 HydrophobicContact CD1-CD1 4.45Å; L173-L177 HydrophobicContact CD1-CG 4.38Å; L173-L177 HydrophobicContact CG-CD1 4.22Å; L173-L177 VanDerWaalsContact O-CG 3.28Å; L173-L177 WeakPolarHBondContact O-CG 3.37Å; L173-L177 PolarHBondContact O-N 2.94Å
174I96Very high93.7Very high25 Ų2575.3 Ų75.313%0.12840%0.401CS..Hα-helixtrans-57-49.2174.4-70.4167.9000110C67 F170 A171 R176 L177 C178C67-I174 HydrophobicContact CB-CG2 4.38Å; F170-I174 HydrophobicContact CD1-CD1 3.89Å; F170-I174 HydrophobicContact CE1-CD1 3.51Å; F170-I174 HydrophobicContact CE1-CG1 4.38Å; F170-I174 HydrophobicContact CZ-CD1 3.9Å; F170-I174 HydrophobicContact CZ-CG1 4.38Å; F170-I174 WeakPolarHBondContact O-CG1 3.43Å; F170-I174 PolarHBondContact O-N 3.48Å; A171-I174 PolarHBondContact O-N 3.4Å; I174-R176 VanDerWaalsContact C-N 3.32Å; I174-R176 PolarHBondContact O-N 2.88Å; I174-L177 PolarHBondContact O-N 2.88Å; I174-L177 VanDerWaalsContact O-N 3.12Å; I174-C178 PolarHBondContact O-N 2.94Å
175D96.5Very high94.2Very high6 Ų672.9 Ų72.93%0.03239%0.387CS..Hα-helixtrans-59.5-44.3178.9-72.6-29.5000111S62 Y63 A171 A172 L173 L177 C178 Y179 T183S62-D175 VanDerWaalsContact CA-OD1 3.27Å; S62-D175 WeakPolarHBondContact CA-OD1 3.48Å; S62-D175 WeakPolarHBondContact CB-OD2 3.46Å; S62-D175 VanDerWaalsContact OG-CG 3.3Å; S62-D175 PolarHBondContact OG-OD1 3.09Å; S62-D175 PolarHBondContact OG-OD2 3.48Å; Y63-D175 PolarHBondContact N-OD1 2.71Å; A171-D175 PolarHBondContact O-N 2.91Å; A172-D175 PolarHBondContact O-N 3.42Å; L173-D175 VanDerWaalsContact C-N 3.32Å; L173-D175 PolarHBondContact O-N 2.9Å; D175-L177 VanDerWaalsContact C-N 3.3Å; D175-L177 PolarHBondContact O-N 2.58Å; D175-C178 PolarHBondContact O-N 3.38Å; D175-Y179 HydrophobicContact CB-CD2 4.12Å; D175-Y179 HydrophobicContact CB-CE2 4.45Å; D175-Y179 VanDerWaalsContact O-CB 3.3Å; D175-Y179 WeakPolarHBondContact O-CB 3.21Å; D175-Y179 VanDerWaalsContact O-CD2 3.3Å; D175-Y179 WeakPolarHBondContact O-CD2 3.27Å; D175-Y179 PolarHBondContact O-N 2.81Å; D175-T183 HydrophobicContact CB-CG2 4.12Å
176R96.9Very high94.3Very high86 Ų8673.2 Ų73.233%0.32539%0.39SS..Hα-helixtrans-58.9-39.6175.4173.958.7-174.585.7-8.7113.1A172 L173 I174 G180 W182A172-R176 WeakPolarHBondContact O-CB 3.45Å; A172-R176 PolarHBondContact O-N 2.95Å; L173-R176 PolarHBondContact O-N 2.96Å; I174-R176 VanDerWaalsContact C-N 3.32Å; I174-R176 PolarHBondContact O-N 2.88Å; R176-G180 PolarHBondContact NH1-O 3.47Å; R176-G180 PolarHBondContact NH2-O 3.26Å; R176-G180 WeakPolarHBondContact O-CA 3.49Å; R176-G180 PolarHBondContact O-N 2.89Å; R176-G180 VanDerWaalsContact O-N 3.13Å; R176-W182 HydrophobicContact CB-CD2 4.02Å; R176-W182 HydrophobicContact CB-CE3 3.7Å; R176-W182 HydrophobicContact CB-CH2 4.09Å; R176-W182 HydrophobicContact CB-CZ2 4.39Å; R176-W182 HydrophobicContact CB-CZ3 3.74Å; R176-W182 HydrophobicContact CG-CD2 3.91Å; R176-W182 HydrophobicContact CG-CE3 4.1Å; R176-W182 HydrophobicContact CG-CG 4.49Å; R176-W182 HydrophobicContact CG-CH2 4.13Å; R176-W182 HydrophobicContact CG-CZ2 3.95Å; R176-W182 HydrophobicContact CG-CZ3 4.2Å
177L96.1Very high94.5Very high126 Ų12673.9 Ų73.966%0.6638%0.384SS*.Hα-helixtrans-71.1-42.4-179.7-70172.6000111.6L173 I174 D175L173-L177 HydrophobicContact CD1-CD1 4.45Å; L173-L177 HydrophobicContact CD1-CG 4.38Å; L173-L177 HydrophobicContact CG-CD1 4.22Å; L173-L177 VanDerWaalsContact O-CG 3.28Å; L173-L177 WeakPolarHBondContact O-CG 3.37Å; L173-L177 PolarHBondContact O-N 2.94Å; I174-L177 PolarHBondContact O-N 2.88Å; I174-L177 VanDerWaalsContact O-N 3.12Å; D175-L177 VanDerWaalsContact C-N 3.3Å; D175-L177 PolarHBondContact O-N 2.58Å
178C95.4Very high94.7Very high44 Ų4471.3 Ų71.330%0.29737%0.368SS..Hα-helixtrans-79-38.8-177.4-67.20000113.4Y63 I174 D175Y63-C178 HydrophobicContact CD1-CB 3.89Å; Y63-C178 HydrophobicContact CD2-CB 3.21Å; Y63-C178 HydrophobicContact CE1-CB 4.23Å; Y63-C178 HydrophobicContact CE2-CB 3.6Å; Y63-C178 HydrophobicContact CG-CB 3.36Å; I174-C178 PolarHBondContact O-N 2.94Å; D175-C178 PolarHBondContact O-N 3.38Å
179Y95.5Very high94.7Very high29 Ų2970.6 Ų70.611%0.11436%0.357CS..Hα-helixtrans-82.5-19.1178.2-75.9-72.3000113.8W56 G59 R61 Y63 D175 H181 T183W56-Y179 WeakPolarHBondContact O-CE1 3.33Å; G59-Y179 WeakPolarHBondContact CA-OH 3.41Å; R61-Y179 WeakPolarHBondContact O-CE2 3.46Å; R61-Y179 PolarHBondContact O-OH 3.26Å; Y63-Y179 AromaticContact CD2-CD2 3.59Å; Y63-Y179 HydrophobicContact CD2-CD2 3.59Å; Y63-Y179 HydrophobicContact CD2-CE1 4.32Å; Y63-Y179 AromaticContact CD2-CE2 3.28Å; Y63-Y179 HydrophobicContact CD2-CE2 3.28Å; Y63-Y179 HydrophobicContact CD2-CG 4.23Å; Y63-Y179 AromaticContact CD2-CZ 3.68Å; Y63-Y179 AromaticContact CE2-CD1 3.84Å; Y63-Y179 HydrophobicContact CE2-CD1 3.84Å; Y63-Y179 AromaticContact CE2-CD2 3.68Å; Y63-Y179 HydrophobicContact CE2-CD2 3.68Å; Y63-Y179 AromaticContact CE2-CE1 3.58Å; Y63-Y179 HydrophobicContact CE2-CE1 3.58Å; Y63-Y179 AromaticContact CE2-CE2 3.42Å; Y63-Y179 HydrophobicContact CE2-CE2 3.42Å; Y63-Y179 VanDerWaalsContact CE2-CE2 3.42Å; Y63-Y179 AromaticContact CE2-CG 3.87Å; Y63-Y179 HydrophobicContact CE2-CG 3.87Å; Y63-Y179 AromaticContact CE2-CZ 3.34Å; D175-Y179 HydrophobicContact CB-CD2 4.12Å; D175-Y179 HydrophobicContact CB-CE2 4.45Å; D175-Y179 VanDerWaalsContact O-CB 3.3Å; D175-Y179 WeakPolarHBondContact O-CB 3.21Å; D175-Y179 VanDerWaalsContact O-CD2 3.3Å; D175-Y179 WeakPolarHBondContact O-CD2 3.27Å; D175-Y179 PolarHBondContact O-N 2.81Å; Y179-H181 PolarHBondContact O-N 3.26Å; Y179-H181 PolarHBondContact O-ND1 2.97Å; Y179-T183 HydrophobicContact CD2-CG2 3.36Å; Y179-T183 HydrophobicContact CE2-CG2 3.75Å; Y179-T183 HydrophobicContact CG-CG2 3.95Å
180G94.9Very high94.6Very high46 Ų4669.9 Ų69.947%0.47435%0.347SS..SBendtrans77.1-2.6-175.100000114.7R176R176-G180 PolarHBondContact NH1-O 3.47Å; R176-G180 PolarHBondContact NH2-O 3.26Å; R176-G180 WeakPolarHBondContact O-CA 3.49Å; R176-G180 PolarHBondContact O-N 2.89Å; R176-G180 VanDerWaalsContact O-N 3.13Å
181H94.8Very high94.4Very high102 Ų10266.3 Ų66.347%0.47233%0.332SS..SBendtrans-145.5160.8175.958.6-84.8000110.6Y179 T183Y179-H181 PolarHBondContact O-N 3.26Å; Y179-H181 PolarHBondContact O-ND1 2.97Å; H181-T183 PolarHBondContact O-N 3.23Å
182W95Very high94.2Very high174 Ų17466 Ų6666%0.65933%0.326SS*.  trans-70.9127.4175.7-70107.2000109.2A172 R176A172-W182 HydrophobicContact CB-CZ3 4.19Å; A172-W182 WeakPolarHBondContact O-CZ3 3.38Å; R176-W182 HydrophobicContact CB-CD2 4.02Å; R176-W182 HydrophobicContact CB-CE3 3.7Å; R176-W182 HydrophobicContact CB-CH2 4.09Å; R176-W182 HydrophobicContact CB-CZ2 4.39Å; R176-W182 HydrophobicContact CB-CZ3 3.74Å; R176-W182 HydrophobicContact CG-CD2 3.91Å; R176-W182 HydrophobicContact CG-CE3 4.1Å; R176-W182 HydrophobicContact CG-CG 4.49Å; R176-W182 HydrophobicContact CG-CH2 4.13Å; R176-W182 HydrophobicContact CG-CZ2 3.95Å; R176-W182 HydrophobicContact CG-CZ3 4.2Å
183T93.4Very high93.8Very high25 Ų2565.6 Ų65.615%0.15332%0.319CS..  trans-136.4155.5177.8-171.60000109.5D175 Y179 H181 P185 N188D175-T183 HydrophobicContact CB-CG2 4.12Å; Y179-T183 HydrophobicContact CD2-CG2 3.36Å; Y179-T183 HydrophobicContact CE2-CG2 3.75Å; Y179-T183 HydrophobicContact CG-CG2 3.95Å; H181-T183 PolarHBondContact O-N 3.23Å; T183-P185 HydrophobicContact CG2-CG 4.24Å; T183-N188 PolarHBondContact OG1-ND2 3.39Å
184F94Very high93.2Very high124 Ų12467.3 Ų67.354%0.54433%0.328SS..  trans-123.589.6174.5-176.6-147.8000109.1L186 W187 N188F184-L186 HydrophobicContact CD2-CB 4.39Å; F184-L186 HydrophobicContact CE2-CB 3.81Å; F184-L186 HydrophobicContact CZ-CB 3.94Å; F184-L186 HydrophobicContact CZ-CD2 4.18Å; F184-L186 HydrophobicContact CZ-CG 4.49Å; F184-L186 PolarHBondContact O-N 2.99Å; F184-L186 VanDerWaalsContact O-N 3.15Å; F184-W187 HydrophobicContact CB-CB 4.28Å; F184-W187 HydrophobicContact CD1-CB 3.32Å; F184-W187 HydrophobicContact CD1-CG 4.36Å; F184-W187 HydrophobicContact CE1-CB 3.85Å; F184-W187 HydrophobicContact CG-CB 4.01Å; F184-W187 WeakPolarHBondContact O-CB 3.39Å; F184-W187 PolarHBondContact O-N 3.07Å; F184-N188 PolarHBondContact O-N 3.47Å; F184-N188 VanDerWaalsContact O-N 3.14Å
185P94.4Very high92.8Very high12 Ų1271 Ų718%0.07835%0.347CS..Hα-helixtrans-58.2-34.6-169.3-28.836.4000114.3G59 T183 W187 N188 F189G59-P185 WeakPolarHBondContact O-CA 3.45Å; T183-P185 HydrophobicContact CG2-CG 4.24Å; P185-W187 VanDerWaalsContact C-N 3.33Å; P185-W187 PolarHBondContact O-N 3.5Å; P185-N188 PolarHBondContact O-N 2.69Å; P185-F189 VanDerWaalsContact O-CB 3.32Å; P185-F189 WeakPolarHBondContact O-CB 3.32Å; P185-F189 PolarHBondContact O-N 3.3Å
186L91.6Very high92.4Very high113 Ų11376.6 Ų76.659%0.59237%0.371SS*.Hα-helixtrans-63-40177.4-176.362.2000111.9F184 F189 V190F184-L186 HydrophobicContact CD2-CB 4.39Å; F184-L186 HydrophobicContact CE2-CB 3.81Å; F184-L186 HydrophobicContact CZ-CB 3.94Å; F184-L186 HydrophobicContact CZ-CD2 4.18Å; F184-L186 HydrophobicContact CZ-CG 4.49Å; F184-L186 PolarHBondContact O-N 2.99Å; F184-L186 VanDerWaalsContact O-N 3.15Å; L186-F189 PolarHBondContact O-N 3.43Å; L186-V190 WeakPolarHBondContact O-CG2 3.41Å; L186-V190 PolarHBondContact O-N 3.49Å
187W94Very high91.7Very high137 Ų13774.1 Ų74.152%0.51937%0.373SS..Hα-helixtrans-68.8-42.9175.7176.3-112000111.8F184 P185 F189 V190 Q191F184-W187 HydrophobicContact CB-CB 4.28Å; F184-W187 HydrophobicContact CD1-CB 3.32Å; F184-W187 HydrophobicContact CD1-CG 4.36Å; F184-W187 HydrophobicContact CE1-CB 3.85Å; F184-W187 HydrophobicContact CG-CB 4.01Å; F184-W187 WeakPolarHBondContact O-CB 3.39Å; F184-W187 PolarHBondContact O-N 3.07Å; P185-W187 VanDerWaalsContact C-N 3.33Å; P185-W187 PolarHBondContact O-N 3.5Å; W187-F189 VanDerWaalsContact C-N 3.29Å; W187-F189 PolarHBondContact O-N 3.42Å; W187-V190 PolarHBondContact O-N 2.93Å; W187-Q191 HydrophobicContact CD2-CG 4.11Å; W187-Q191 HydrophobicContact CG-CG 4.4Å; W187-Q191 HydrophobicContact CZ2-CG 4.15Å; W187-Q191 WeakPolarHBondContact O-CB 3.27Å; W187-Q191 VanDerWaalsContact O-CG 3.3Å; W187-Q191 WeakPolarHBondContact O-CG 3.5Å; W187-Q191 PolarHBondContact O-N 2.97Å
188N94.1Very high91.2Very high40 Ų4068.1 Ų68.121%0.21434%0.341CS..Hα-helixtrans-61.2-41.4176.4-60-20.3000110.8G59 L60 T183 F184 P185 V190 Q191 F192G59-N188 PolarHBondContact O-ND2 3.49Å; L60-N188 HydrophobicContact CD2-CB 3.82Å; L60-N188 WeakPolarHBondContact CD2-O 3.49Å; T183-N188 PolarHBondContact OG1-ND2 3.39Å; F184-N188 PolarHBondContact O-N 3.47Å; F184-N188 VanDerWaalsContact O-N 3.14Å; P185-N188 PolarHBondContact O-N 2.69Å; N188-V190 PolarHBondContact O-N 2.82Å; N188-Q191 PolarHBondContact O-N 3.44Å; N188-F192 WeakPolarHBondContact O-CB 3.24Å; N188-F192 PolarHBondContact O-N 3.39Å
189F91.5Very high90.6Very high70 Ų7066.4 Ų66.431%0.30733%0.33SS..Hα-helixtrans-58.8-46.1174179.3-86.3000112P185 L186 W187 F192 N193P185-F189 VanDerWaalsContact O-CB 3.32Å; P185-F189 WeakPolarHBondContact O-CB 3.32Å; P185-F189 PolarHBondContact O-N 3.3Å; L186-F189 PolarHBondContact O-N 3.43Å; W187-F189 VanDerWaalsContact C-N 3.29Å; W187-F189 PolarHBondContact O-N 3.42Å; F189-F192 PolarHBondContact O-N 2.84Å; F189-N193 WeakPolarHBondContact CD2-ND2 3.47Å; F189-N193 HydrophobicContact CE1-CB 4.28Å; F189-N193 WeakPolarHBondContact CE2-ND2 3.26Å; F189-N193 HydrophobicContact CZ-CB 4.32Å; F189-N193 WeakPolarHBondContact CZ-ND2 3.28Å; F189-N193 WeakPolarHBondContact O-CB 3.14Å; F189-N193 PolarHBondContact O-N 3.14Å; F189-N193 PolarHBondContact O-ND2 2.91Å
190V91Very high90.1Very high43 Ų4367.6 Ų67.626%0.26135%0.345SS..Hα-helixtrans-63-45.7176.6168.90000111L186 W187 N188 F192 L194 I195L186-V190 WeakPolarHBondContact O-CG2 3.41Å; L186-V190 PolarHBondContact O-N 3.49Å; W187-V190 PolarHBondContact O-N 2.93Å; N188-V190 PolarHBondContact O-N 2.82Å; V190-F192 PolarHBondContact O-N 3.5Å; V190-L194 HydrophobicContact CB-CD1 4.23Å; V190-L194 HydrophobicContact CG1-CB 4.41Å; V190-L194 HydrophobicContact CG1-CD1 4.15Å; V190-L194 HydrophobicContact CG2-CD1 4.01Å; V190-L194 WeakPolarHBondContact O-CA 3.45Å; V190-L194 WeakPolarHBondContact O-CB 3.49Å; V190-L194 PolarHBondContact O-N 3.17Å; V190-I195 HydrophobicContact CG1-CD1 4.31Å; V190-I195 PolarHBondContact O-N 3.49Å; V190-I195 VanDerWaalsContact O-N 3.14Å
191Q91.6Very high89.4Confident53 Ų5370.2 Ų70.225%0.24835%0.348CS..Iπ-helixtrans-57.9-47.2177.2-74.5-68.1-32.500111.9W187 N188 I195 K196W187-Q191 HydrophobicContact CD2-CG 4.11Å; W187-Q191 HydrophobicContact CG-CG 4.4Å; W187-Q191 HydrophobicContact CZ2-CG 4.15Å; W187-Q191 WeakPolarHBondContact O-CB 3.27Å; W187-Q191 VanDerWaalsContact O-CG 3.3Å; W187-Q191 WeakPolarHBondContact O-CG 3.5Å; W187-Q191 PolarHBondContact O-N 2.97Å; N188-Q191 PolarHBondContact O-N 3.44Å; Q191-I195 HydrophobicContact CG-CD1 4.45Å; Q191-I195 WeakPolarHBondContact O-CB 3.43Å; Q191-K196 WeakPolarHBondContact O-CB 3.49Å; Q191-K196 WeakPolarHBondContact O-CG 3.2Å; Q191-K196 PolarHBondContact O-N 2.92Å
192F88.6Confident88.8Confident17 Ų1769.4 Ų69.48%0.07534%0.343CS..Iπ-helixtrans-71.9-52.4-179.5-179.3-93.8000112.7W54 L60 N188 F189 V190 K196 G197 G198 F202 L362W54-F192 HydrophobicContact CH2-CD1 4.08Å; W54-F192 HydrophobicContact CH2-CD2 4.16Å; W54-F192 AromaticContact CH2-CE1 3.48Å; W54-F192 HydrophobicContact CH2-CE1 3.48Å; W54-F192 VanDerWaalsContact CH2-CE1 3.48Å; W54-F192 AromaticContact CH2-CE2 3.56Å; W54-F192 HydrophobicContact CH2-CE2 3.56Å; W54-F192 HydrophobicContact CH2-CG 4.4Å; W54-F192 AromaticContact CH2-CZ 3.19Å; W54-F192 HydrophobicContact CH2-CZ 3.19Å; W54-F192 HydrophobicContact CZ2-CE1 4.28Å; W54-F192 HydrophobicContact CZ2-CZ 4.01Å; W54-F192 HydrophobicContact CZ3-CD2 4.08Å; W54-F192 HydrophobicContact CZ3-CE1 4.34Å; W54-F192 AromaticContact CZ3-CE2 3.63Å; W54-F192 HydrophobicContact CZ3-CE2 3.63Å; W54-F192 AromaticContact CZ3-CZ 3.79Å; W54-F192 HydrophobicContact CZ3-CZ 3.79Å; L60-F192 HydrophobicContact CD1-CB 4.25Å; L60-F192 HydrophobicContact CD1-CD1 4.13Å; L60-F192 HydrophobicContact CD1-CD2 4.44Å; L60-F192 HydrophobicContact CD1-CG 4Å; L60-F192 HydrophobicContact CD2-CB 3.66Å; L60-F192 HydrophobicContact CD2-CG 4.31Å; N188-F192 WeakPolarHBondContact O-CB 3.24Å; N188-F192 PolarHBondContact O-N 3.39Å; F189-F192 PolarHBondContact O-N 2.84Å; V190-F192 PolarHBondContact O-N 3.5Å; F192-K196 WeakPolarHBondContact O-CB 3.36Å; F192-G197 PolarHBondContact O-N 3.26Å; F192-G198 PolarHBondContact O-N 3.29Å; F192-F202 HydrophobicContact CE1-CE2 4.37Å; F192-L362 HydrophobicContact CE2-CD1 4.33Å
193N87.5Confident88.4Confident27 Ų2762.7 Ų62.714%0.14433%0.328CS..Iπ-helixtrans-82-41.7-169.5-73.7-67.1000113.8F189 S199F189-N193 WeakPolarHBondContact CD2-ND2 3.47Å; F189-N193 HydrophobicContact CE1-CB 4.28Å; F189-N193 WeakPolarHBondContact CE2-ND2 3.26Å; F189-N193 HydrophobicContact CZ-CB 4.32Å; F189-N193 WeakPolarHBondContact CZ-ND2 3.28Å; F189-N193 WeakPolarHBondContact O-CB 3.14Å; F189-N193 PolarHBondContact O-N 3.14Å; F189-N193 PolarHBondContact O-ND2 2.91Å; N193-S199 PolarHBondContact O-OG 2.61Å; N193-S199 WeakPolarHBondContact OD1-CB 3.4Å
194L85.4Confident88.3Confident114 Ų11465.7 Ų65.760%0.59735%0.35SS*.Iπ-helixtrans-94-44-174.5-73.7122.7000112.3V190V190-L194 HydrophobicContact CB-CD1 4.23Å; V190-L194 HydrophobicContact CG1-CB 4.41Å; V190-L194 HydrophobicContact CG1-CD1 4.15Å; V190-L194 HydrophobicContact CG2-CD1 4.01Å; V190-L194 WeakPolarHBondContact O-CA 3.45Å; V190-L194 WeakPolarHBondContact O-CB 3.49Å; V190-L194 PolarHBondContact O-N 3.17Å
195I87.8Confident88.4Confident103 Ų10363.1 Ų63.153%0.52834%0.339SS..Iπ-helixtrans-85-47.8-174.3-66.3167.9000111.4V190 Q191V190-I195 HydrophobicContact CG1-CD1 4.31Å; V190-I195 PolarHBondContact O-N 3.49Å; V190-I195 VanDerWaalsContact O-N 3.14Å; Q191-I195 HydrophobicContact CG-CD1 4.45Å; Q191-I195 WeakPolarHBondContact O-CB 3.43Å
196K86.2Confident88.5Confident124 Ų12465.9 Ų65.954%0.53936%0.357SS..SBendtrans-84.1-9.9178-65.9176.8-177178.30113.6Q191 F192 G198 L362Q191-K196 WeakPolarHBondContact O-CB 3.49Å; Q191-K196 WeakPolarHBondContact O-CG 3.2Å; Q191-K196 PolarHBondContact O-N 2.92Å; F192-K196 WeakPolarHBondContact O-CB 3.36Å; K196-G198 VanDerWaalsContact C-N 3.26Å; K196-G198 PolarHBondContact O-N 3Å; K196-L362 HydrophobicContact CB-CD1 4.02Å; K196-L362 HydrophobicContact CD-CD1 4Å
197G83.6Confident88.7Confident34 Ų3469.1 Ų69.135%0.35136%0.362SS..  trans68.819.8-179.200000114.5F192 S199 A200F192-G197 PolarHBondContact O-N 3.26Å; G197-S199 PolarHBondContact O-N 3.24Å; G197-S199 VanDerWaalsContact O-N 3.1Å; G197-A200 WeakPolarHBondContact O-CB 3.4Å; G197-A200 PolarHBondContact O-N 3.48Å; G197-A200 VanDerWaalsContact O-N 3.07Å
198G84.2Confident88.8Confident0 Ų066.1 Ų66.10%035%0.353CS..G310 helixtrans-61.2-22.3-174.700000114.3F192 K196 A200 L201F192-G198 PolarHBondContact O-N 3.29Å; K196-G198 VanDerWaalsContact C-N 3.26Å; K196-G198 PolarHBondContact O-N 3Å; G198-A200 PolarHBondContact O-N 3.23Å; G198-L201 WeakPolarHBondContact O-CB 3.19Å; G198-L201 PolarHBondContact O-N 3.23Å
199S84.5Confident89Confident8 Ų865.6 Ų65.66%0.05635%0.348CS..G310 helixtrans-59.4-29.8174.5610000113N193 G197 L201 F202 H255N193-S199 PolarHBondContact O-OG 2.61Å; N193-S199 WeakPolarHBondContact OD1-CB 3.4Å; G197-S199 PolarHBondContact O-N 3.24Å; G197-S199 VanDerWaalsContact O-N 3.1Å; S199-L201 PolarHBondContact O-N 3.3Å; S199-F202 PolarHBondContact O-N 3.46Å; S199-H255 WeakPolarHBondContact O-CB 3.34Å
200A83.7Confident89.3Confident53 Ų5362.2 Ų62.244%0.43833%0.334SS..G310 helixtrans-66-21.6-179.700000113.6G197 G198 F202 G203 A254G197-A200 WeakPolarHBondContact O-CB 3.4Å; G197-A200 PolarHBondContact O-N 3.48Å; G197-A200 VanDerWaalsContact O-N 3.07Å; G198-A200 PolarHBondContact O-N 3.23Å; A200-F202 PolarHBondContact O-N 2.87Å; A200-G203 PolarHBondContact O-N 2.88Å; A200-G203 VanDerWaalsContact O-N 3.16Å; A200-A254 HydrophobicContact CB-CB 4.26Å
201L81.5Confident89.6Confident101 Ų10164.6 Ų64.653%0.52935%0.348SS..G310 helixtrans-62.6-28.4176.2-65.7176.6000112.5G198 S199 G203 P359 L362G198-L201 WeakPolarHBondContact O-CB 3.19Å; G198-L201 PolarHBondContact O-N 3.23Å; S199-L201 PolarHBondContact O-N 3.3Å; L201-G203 PolarHBondContact O-N 3.35Å; L201-P359 HydrophobicContact CD1-CB 3.78Å; L201-L362 HydrophobicContact CD1-CD2 3.82Å; L201-L362 HydrophobicContact CG-CD2 4.49Å
202F82Confident89.9Confident86 Ų8665.7 Ų65.738%0.37736%0.358SS..G310 helixtrans-89.414.1180-56.7-76.8000112.7W54 F192 S199 A200 H255W54-F202 HydrophobicContact CZ2-CE2 4.28Å; W54-F202 AromaticContact CZ2-CZ 3.78Å; W54-F202 HydrophobicContact CZ2-CZ 3.78Å; F192-F202 HydrophobicContact CE1-CE2 4.37Å; S199-F202 PolarHBondContact O-N 3.46Å; A200-F202 PolarHBondContact O-N 2.87Å; F202-H255 PolarHBondContact O-CE1 3.04Å; F202-H255 PolarHBondContact O-ND1 3.49Å
203G86Confident90.3Very high33 Ų3367.2 Ų67.234%0.3437%0.371SS..  trans94.5148.5-175.700000112.7A200 L201 H255A200-G203 PolarHBondContact O-N 2.88Å; A200-G203 VanDerWaalsContact O-N 3.16Å; L201-G203 PolarHBondContact O-N 3.35Å; G203-H255 WeakPolarHBondContact O-CA 3.34Å; G203-H255 PolarHBondContact O-ND1 3.29Å; G203-H255 VanDerWaalsContact O-ND1 3.16Å
204S91.2Very high90.8Very high88 Ų8865.9 Ų65.962%0.61536%0.364SS*.  trans-120.5145.1-17863.90000111.5A254S204-A254 WeakPolarHBondContact CA-O 3.29Å
205H95.3Very high91.4Very high69 Ų6962.1 Ų62.132%0.31934%0.344SS..  trans-127.3149.6176.8-65.294.9000110.2W209 A254 K256H205-W209 HydrophobicContact CB-CB 4.01Å; H205-W209 HydrophobicContact CB-CG 3.91Å; H205-W209 AromaticContact CD2-CD1 3.54Å; H205-W209 AromaticContact CD2-NE1 3.45Å; H205-W209 PolarHBondContact CD2-NE1 3.35Å; H205-W209 AromaticContact CG-CD1 3.93Å; H205-W209 AromaticContact NE2-NE1 3.96Å; H205-A254 PolarHBondContact N-O 3.29Å; H205-K256 HydrophobicContact CB-CB 4.27Å; H205-K256 HydrophobicContact CB-CD 3.9Å; H205-K256 HydrophobicContact CB-CG 4.23Å; H205-K256 PolarHBondContact O-NZ 3.4Å
206P96.7Very high91.9Very high70 Ų7059.7 Ų59.746%0.45533%0.334SS..  trans-51.8149174-2634.3000112.4H208 W209 K256P206-H208 WeakPolarHBondContact CB-NE2 3.41Å; P206-H208 PolarHBondContact O-N 2.79Å; P206-H208 VanDerWaalsContact O-N 3.17Å; P206-W209 WeakPolarHBondContact O-CB 3.38Å; P206-W209 PolarHBondContact O-N 2.97Å; P206-K256 WeakPolarHBondContact O-CE 3.42Å; P206-K256 PolarHBondContact O-NZ 3.46Å
207W95.9Very high92.5Very high181 Ų18155.8 Ų55.869%0.68632%0.323SS*.THydrogen-bonded Turntrans-56.2-35.5-178.467.3-92.9000112.4W209 S251W207-W209 VanDerWaalsContact C-N 3.27Å; W207-W209 PolarHBondContact O-N 2.88Å; W207-S251 VanDerWaalsContact O-CB 3.29Å; W207-S251 WeakPolarHBondContact O-CB 3.25Å
208H96.7Very high93.2Very high74 Ų7454.2 Ų54.234%0.34331%0.306SS..THydrogen-bonded Turntrans-78.2-1.3-179.561.974.8000114.7P206 Y210 V211 T212P206-H208 WeakPolarHBondContact CB-NE2 3.41Å; P206-H208 PolarHBondContact O-N 2.79Å; P206-H208 VanDerWaalsContact O-N 3.17Å; H208-Y210 VanDerWaalsContact C-N 3.27Å; H208-Y210 PolarHBondContact O-N 2.87Å; H208-V211 PolarHBondContact O-N 3.09Å; H208-T212 HydrophobicContact CB-CG2 4.38Å; H208-T212 WeakPolarHBondContact ND1-CG2 3.46Å; H208-T212 PolarHBondContact ND1-OG1 3.17Å; H208-T212 VanDerWaalsContact ND1-OG1 3.17Å; H208-T212 PolarHBondContact O-N 3.19Å; H208-T212 PolarHBondContact O-OG1 2.96Å
209W98.3Very high93.8Very high29 Ų2954.2 Ų54.211%0.1131%0.307CS..Hα-helixtrans-55.2-37.1-173.4-18096.9000113.7H205 P206 W207 V211 T212 C213 G214 K256 F258H205-W209 HydrophobicContact CB-CB 4.01Å; H205-W209 HydrophobicContact CB-CG 3.91Å; H205-W209 AromaticContact CD2-CD1 3.54Å; H205-W209 AromaticContact CD2-NE1 3.45Å; H205-W209 PolarHBondContact CD2-NE1 3.35Å; H205-W209 AromaticContact CG-CD1 3.93Å; H205-W209 AromaticContact NE2-NE1 3.96Å; P206-W209 WeakPolarHBondContact O-CB 3.38Å; P206-W209 PolarHBondContact O-N 2.97Å; W207-W209 VanDerWaalsContact C-N 3.27Å; W207-W209 PolarHBondContact O-N 2.88Å; W209-V211 VanDerWaalsContact C-N 3.31Å; W209-V211 PolarHBondContact O-N 3.2Å; W209-T212 PolarHBondContact O-N 3.48Å; W209-C213 HydrophobicContact CD2-CB 4.2Å; W209-C213 HydrophobicContact CG-CB 4.25Å; W209-C213 HydrophobicContact CZ2-CB 4.47Å; W209-C213 WeakPolarHBondContact O-CA 3.44Å; W209-C213 WeakPolarHBondContact O-CB 3.38Å; W209-C213 PolarHBondContact O-N 3.41Å; W209-G214 PolarHBondContact O-N 2.97Å; W209-K256 HydrophobicContact CB-CD 3.68Å; W209-K256 HydrophobicContact CD2-CB 4.18Å; W209-K256 HydrophobicContact CD2-CD 4.23Å; W209-K256 HydrophobicContact CE3-CB 3.73Å; W209-K256 HydrophobicContact CE3-CD 3.97Å; W209-K256 HydrophobicContact CE3-CG 4.48Å; W209-K256 HydrophobicContact CG-CD 4.15Å; W209-K256 HydrophobicContact CZ3-CB 4.05Å; W209-F258 AromaticContact CH2-CD1 3.65Å; W209-F258 HydrophobicContact CH2-CD1 3.65Å; W209-F258 HydrophobicContact CH2-CD2 4.22Å; W209-F258 AromaticContact CH2-CE1 3.52Å; W209-F258 HydrophobicContact CH2-CE1 3.52Å; W209-F258 HydrophobicContact CH2-CE2 4.11Å; W209-F258 HydrophobicContact CH2-CG 4.01Å; W209-F258 AromaticContact CH2-CZ 3.77Å; W209-F258 HydrophobicContact CH2-CZ 3.77Å; W209-F258 HydrophobicContact CZ2-CD1 4.38Å; W209-F258 AromaticContact CZ2-CE1 3.82Å; W209-F258 HydrophobicContact CZ2-CE1 3.82Å; W209-F258 HydrophobicContact CZ2-CE2 4.09Å; W209-F258 AromaticContact CZ2-CZ 3.66Å; W209-F258 HydrophobicContact CZ2-CZ 3.66Å; W209-F258 HydrophobicContact CZ3-CD1 4.41Å; W209-F258 HydrophobicContact CZ3-CE1 4.45Å
210Y98.4Very high94.4Very high0 Ų056 Ų560%032%0.315CS..Iπ-helixtrans-63.9-38.5176.2-75.5-64.2000112.2H208 G214 I215 V247 H250 K256 E257 F260 L261H208-Y210 VanDerWaalsContact C-N 3.27Å; H208-Y210 PolarHBondContact O-N 2.87Å; Y210-G214 CarbonylContact O-C 3.57Å; Y210-G214 WeakPolarHBondContact O-CA 3.35Å; Y210-G214 PolarHBondContact O-N 3.24Å; Y210-I215 WeakPolarHBondContact O-CB 3.29Å; Y210-I215 WeakPolarHBondContact O-CG1 3.43Å; Y210-I215 PolarHBondContact O-N 3.02Å; Y210-V247 HydrophobicContact CG-CG1 4.42Å; Y210-H250 HydrophobicContact CD2-CB 4.41Å; Y210-H250 HydrophobicContact CE2-CB 3.75Å; Y210-H250 WeakPolarHBondContact CE2-O 3.48Å; Y210-K256 HydrophobicContact CD2-CD 3.88Å; Y210-K256 HydrophobicContact CD2-CG 4.38Å; Y210-K256 HydrophobicContact CE1-CB 4.42Å; Y210-K256 HydrophobicContact CE2-CB 4.04Å; Y210-K256 HydrophobicContact CE2-CD 3.64Å; Y210-K256 HydrophobicContact CE2-CG 3.64Å; Y210-K256 WeakPolarHBondContact OH-CA 3.32Å; Y210-E257 PolarHBondContact OH-N 2.85Å; Y210-F260 VanDerWaalsContact OH-CD2 3.25Å; Y210-F260 WeakPolarHBondContact OH-CD2 3.32Å; Y210-L261 HydrophobicContact CD1-CD1 3.94Å; Y210-L261 HydrophobicContact CD1-CD2 3.81Å; Y210-L261 HydrophobicContact CD1-CG 3.84Å; Y210-L261 HydrophobicContact CE1-CD1 4.48Å; Y210-L261 HydrophobicContact CE1-CD2 4.25Å; Y210-L261 HydrophobicContact CE1-CG 4.05Å
211V97.2Very high94.9Very high92 Ų9257.4 Ų57.456%0.55831%0.311SS*.Iπ-helixtrans-74.4-39.6179.3178.50000111H208 W209 P216H208-V211 PolarHBondContact O-N 3.09Å; W209-V211 VanDerWaalsContact C-N 3.31Å; W209-V211 PolarHBondContact O-N 3.2Å; V211-P216 VanDerWaalsContact O-CD 3.31Å; V211-P216 WeakPolarHBondContact O-CD 3.36Å; V211-P216 WeakPolarHBondContact O-CG 3.42Å
212T97.3Very high95.5Very high76 Ų7652.8 Ų52.847%0.46629%0.287SS..Iπ-helixtrans-88.8-26-173.556.50000114.4H208 W209H208-T212 HydrophobicContact CB-CG2 4.38Å; H208-T212 WeakPolarHBondContact ND1-CG2 3.46Å; H208-T212 PolarHBondContact ND1-OG1 3.17Å; H208-T212 VanDerWaalsContact ND1-OG1 3.17Å; H208-T212 PolarHBondContact O-N 3.19Å; H208-T212 PolarHBondContact O-OG1 2.96Å; W209-T212 PolarHBondContact O-N 3.48Å
213C97.5Very high96.2Very high49 Ų4951.3 Ų51.333%0.33128%0.283SS..Iπ-helixtrans-130.1-50.3-173.3-55.60000111.8W209 S217W209-C213 HydrophobicContact CD2-CB 4.2Å; W209-C213 HydrophobicContact CG-CB 4.25Å; W209-C213 HydrophobicContact CZ2-CB 4.47Å; W209-C213 WeakPolarHBondContact O-CA 3.44Å; W209-C213 WeakPolarHBondContact O-CB 3.38Å; W209-C213 PolarHBondContact O-N 3.41Å; C213-S217 VanDerWaalsContact O-CB 3.28Å; C213-S217 WeakPolarHBondContact O-CB 3.3Å; C213-S217 PolarHBondContact O-N 3.04Å; C213-S217 PolarHBondContact O-OG 2.66Å
214G98.1Very high96.5Very high0 Ų054.9 Ų54.90%029%0.293CS..Iπ-helixtrans-57.1-66.7-175.600000113.5W209 Y210 S217 V218W209-G214 PolarHBondContact O-N 2.97Å; Y210-G214 CarbonylContact O-C 3.57Å; Y210-G214 WeakPolarHBondContact O-CA 3.35Å; Y210-G214 PolarHBondContact O-N 3.24Å; G214-S217 PolarHBondContact O-N 3.07Å; G214-V218 WeakPolarHBondContact O-CG2 3.32Å; G214-V218 PolarHBondContact O-N 2.76Å
215I98.3Very high96.6Very high34 Ų3451.3 Ų51.317%0.17427%0.267CS..Hα-helixtrans-60.4-48.1-178.3-68.1170.6000110.9Y210 S217 V218 F219 I223 V247 L261Y210-I215 WeakPolarHBondContact O-CB 3.29Å; Y210-I215 WeakPolarHBondContact O-CG1 3.43Å; Y210-I215 PolarHBondContact O-N 3.02Å; I215-S217 VanDerWaalsContact C-N 3.27Å; I215-S217 PolarHBondContact O-N 3.37Å; I215-V218 PolarHBondContact O-N 2.83Å; I215-F219 HydrophobicContact CB-CD2 4.41Å; I215-F219 HydrophobicContact CG2-CD2 3.79Å; I215-F219 HydrophobicContact CG2-CE2 4.38Å; I215-F219 WeakPolarHBondContact O-CB 3.29Å; I215-F219 WeakPolarHBondContact O-CD2 3.44Å; I215-F219 PolarHBondContact O-N 3.34Å; I215-I223 HydrophobicContact CG2-CD1 3.6Å; I215-I223 HydrophobicContact CG2-CG1 4.28Å; I215-V247 HydrophobicContact CD1-CG1 4.22Å; I215-V247 HydrophobicContact CD1-CG2 4.39Å; I215-L261 HydrophobicContact CG1-CD1 4.07Å; I215-L261 HydrophobicContact CG1-CD2 4.36Å
216P97.7Very high96.6Very high52 Ų5248.3 Ų48.334%0.33825%0.254SS..Hα-helixtrans-55.7-38.5175.3-29.537.4000113.8V211 L220V211-P216 VanDerWaalsContact O-CD 3.31Å; V211-P216 WeakPolarHBondContact O-CD 3.36Å; V211-P216 WeakPolarHBondContact O-CG 3.42Å; P216-L220 VanDerWaalsContact O-CA 3.26Å; P216-L220 WeakPolarHBondContact O-CA 3.47Å; P216-L220 PolarHBondContact O-N 3.43Å
217S97.4Very high96.6Very high43 Ų4349.6 Ų49.630%0.30126%0.255SS..Hα-helixtrans-74.9-42.2-180-54.60000112.6W126 C213 G214 I215 L220 F258W126-S217 PolarHBondContact NE1-O 2.92Å; C213-S217 VanDerWaalsContact O-CB 3.28Å; C213-S217 WeakPolarHBondContact O-CB 3.3Å; C213-S217 PolarHBondContact O-N 3.04Å; C213-S217 PolarHBondContact O-OG 2.66Å; G214-S217 PolarHBondContact O-N 3.07Å; I215-S217 VanDerWaalsContact C-N 3.27Å; I215-S217 PolarHBondContact O-N 3.37Å; S217-L220 WeakPolarHBondContact O-CD2 3.48Å; S217-F258 VanDerWaalsContact CB-CE1 3.49Å
218V98.3Very high96.6Very high0 Ų042.3 Ų42.30%023%0.233CC..Hα-helixtrans-69.9-39.4-178.8168.70000111.7N125 F127 G214 I215 F258 L261 V265N125-V218 PolarHBondContact ND2-O 2.9Å; F127-V218 HydrophobicContact CB-CG1 4.13Å; F127-V218 HydrophobicContact CD1-CB 4.38Å; F127-V218 HydrophobicContact CD1-CG1 3.74Å; F127-V218 HydrophobicContact CD1-CG2 3.85Å; F127-V218 HydrophobicContact CE1-CG2 4.09Å; F127-V218 HydrophobicContact CG-CG1 4.17Å; F127-V218 HydrophobicContact CG-CG2 4.11Å; G214-V218 WeakPolarHBondContact O-CG2 3.32Å; G214-V218 PolarHBondContact O-N 2.76Å; I215-V218 PolarHBondContact O-N 2.83Å; V218-F258 HydrophobicContact CG2-CB 4.25Å; V218-F258 HydrophobicContact CG2-CD1 4.08Å; V218-L261 HydrophobicContact CB-CD1 4.32Å; V218-L261 HydrophobicContact CG2-CB 4.23Å; V218-L261 HydrophobicContact CG2-CD1 3.84Å; V218-V265 HydrophobicContact CG1-CG2 3.58Å
219F97.9Very high96.5Very high1 Ų138.8 Ų38.80%0.00422%0.217CC..Hα-helixtrans-99.5-20.2-174.7-68-77.7000114.1I215 F221 H222 I223 I226 V265 L268I215-F219 HydrophobicContact CB-CD2 4.41Å; I215-F219 HydrophobicContact CG2-CD2 3.79Å; I215-F219 HydrophobicContact CG2-CE2 4.38Å; I215-F219 WeakPolarHBondContact O-CB 3.29Å; I215-F219 WeakPolarHBondContact O-CD2 3.44Å; I215-F219 PolarHBondContact O-N 3.34Å; F219-F221 PolarHBondContact O-N 2.94Å; F219-H222 HydrophobicContact CB-CB 4.45Å; F219-H222 WeakPolarHBondContact O-CA 3.14Å; F219-H222 WeakPolarHBondContact O-CB 3.35Å; F219-H222 PolarHBondContact O-N 2.93Å; F219-I223 HydrophobicContact CB-CB 4.17Å; F219-I226 HydrophobicContact CB-CD1 4.47Å; F219-I226 HydrophobicContact CD1-CD1 3.3Å; F219-I226 HydrophobicContact CE1-CD1 3.69Å; F219-I226 HydrophobicContact CG-CD1 4.03Å; F219-V265 HydrophobicContact CE1-CB 4.42Å; F219-V265 HydrophobicContact CE1-CG1 4.39Å; F219-V265 HydrophobicContact CE1-CG2 4.25Å; F219-V265 HydrophobicContact CZ-CB 4.45Å; F219-V265 HydrophobicContact CZ-CG2 4.01Å; F219-L268 HydrophobicContact CE1-CB 4.07Å; F219-L268 HydrophobicContact CE1-CD1 4.33Å; F219-L268 HydrophobicContact CE2-CD1 3.96Å; F219-L268 HydrophobicContact CZ-CB 4.1Å; F219-L268 HydrophobicContact CZ-CD1 3.6Å; F219-L268 HydrophobicContact CZ-CG 4.41Å
220L96.8Very high96.5Very high45 Ų4537.9 Ų37.924%0.23622%0.215CC..THydrogen-bonded Turntrans45.5-131.9-173.6-55.7179.8000110.4P216 S217 H222 I223 P297 L301P216-L220 VanDerWaalsContact O-CA 3.26Å; P216-L220 WeakPolarHBondContact O-CA 3.47Å; P216-L220 PolarHBondContact O-N 3.43Å; S217-L220 WeakPolarHBondContact O-CD2 3.48Å; L220-H222 PolarHBondContact O-N 3.49Å; L220-I223 WeakPolarHBondContact O-CG2 3.48Å; L220-I223 PolarHBondContact O-N 2.89Å; L220-P297 HydrophobicContact CD1-CB 4.31Å; L220-L301 HydrophobicContact CD1-CD2 4.14Å
221F93.6Very high96.4Very high82 Ų8247.2 Ų47.236%0.3625%0.25SC..THydrogen-bonded Turntrans-70.2-12.9177.6-61.1-70.3000114.5F219 I223 I224 L293 L294 P297F219-F221 PolarHBondContact O-N 2.94Å; F221-I223 PolarHBondContact O-N 3.39Å; F221-I224 HydrophobicContact CD1-CD1 4.19Å; F221-I224 PolarHBondContact O-N 3.49Å; F221-L293 HydrophobicContact CB-CG 4.3Å; F221-L293 HydrophobicContact CD1-CD1 4.33Å; F221-L293 HydrophobicContact CD1-CD2 4.07Å; F221-L293 HydrophobicContact CD1-CG 4.14Å; F221-L293 HydrophobicContact CD2-CD1 3.7Å; F221-L293 HydrophobicContact CD2-CG 3.82Å; F221-L293 WeakPolarHBondContact CD2-O 3.27Å; F221-L293 HydrophobicContact CE1-CD1 4.18Å; F221-L293 HydrophobicContact CE1-CD2 4.36Å; F221-L293 HydrophobicContact CE1-CG 4.45Å; F221-L293 HydrophobicContact CE2-CD1 3.52Å; F221-L293 HydrophobicContact CE2-CG 4.16Å; F221-L293 HydrophobicContact CG-CD1 4.11Å; F221-L293 HydrophobicContact CG-CD2 4.22Å; F221-L293 HydrophobicContact CG-CG 3.82Å; F221-L293 HydrophobicContact CZ-CD1 3.78Å; F221-L293 HydrophobicContact CZ-CG 4.46Å; F221-L294 HydrophobicContact CB-CD2 4.17Å; F221-L294 WeakPolarHBondContact O-CD2 3.22Å; F221-P297 HydrophobicContact CD2-CB 4.5Å; F221-P297 HydrophobicContact CD2-CG 4.05Å; F221-P297 HydrophobicContact CE2-CG 4.04Å
222H95.2Very high96.3Very high5 Ų545.5 Ų45.52%0.02324%0.24CC..Hα-helixtrans-60.8-26.9172.6-68.4177.6000111.6A121 S124 F219 L220 I224 V225 I226 L294A121-H222 PolarHBondContact O-CE1 3.14Å; A121-H222 PolarHBondContact O-ND1 2.99Å; S124-H222 PolarHBondContact OG-CE1 2.93Å; S124-H222 PolarHBondContact OG-NE2 3.5Å; F219-H222 HydrophobicContact CB-CB 4.45Å; F219-H222 WeakPolarHBondContact O-CA 3.14Å; F219-H222 WeakPolarHBondContact O-CB 3.35Å; F219-H222 PolarHBondContact O-N 2.93Å; L220-H222 PolarHBondContact O-N 3.49Å; H222-I224 PolarHBondContact O-N 3.27Å; H222-I224 VanDerWaalsContact O-N 3.12Å; H222-V225 WeakPolarHBondContact O-CG2 3.49Å; H222-V225 PolarHBondContact O-N 3.41Å; H222-I226 HydrophobicContact CB-CD1 4.13Å; H222-I226 WeakPolarHBondContact O-CB 3.18Å; H222-I226 WeakPolarHBondContact O-CG1 3.31Å; H222-I226 PolarHBondContact O-N 3.38Å; H222-L294 PolarHBondContact NE2-O 3.32Å
223I95.7Very high96.2Very high55 Ų5541.9 Ų41.928%0.28222%0.218SC..Hα-helixtrans-55.4-33.9178.5-159.9178.4000112.2I215 F219 L220 F221 I226 M227I215-I223 HydrophobicContact CG2-CD1 3.6Å; I215-I223 HydrophobicContact CG2-CG1 4.28Å; F219-I223 HydrophobicContact CB-CB 4.17Å; L220-I223 WeakPolarHBondContact O-CG2 3.48Å; L220-I223 PolarHBondContact O-N 2.89Å; F221-I223 PolarHBondContact O-N 3.39Å; I223-I226 PolarHBondContact O-N 3.46Å; I223-M227 HydrophobicContact CG1-CG 4.25Å; I223-M227 WeakPolarHBondContact O-CB 3.23Å; I223-M227 VanDerWaalsContact O-CG 3.23Å; I223-M227 WeakPolarHBondContact O-CG 3.3Å; I223-M227 PolarHBondContact O-N 2.98Å
224I93.3Very high95.8Very high108 Ų10847.4 Ų47.455%0.55424%0.236SC*.Hα-helixtrans-65.7-49.5-179-58.7174.3000110.2F221 H222 M227 A228F221-I224 HydrophobicContact CD1-CD1 4.19Å; F221-I224 PolarHBondContact O-N 3.49Å; H222-I224 PolarHBondContact O-N 3.27Å; H222-I224 VanDerWaalsContact O-N 3.12Å; I224-M227 PolarHBondContact O-N 2.83Å; I224-A228 WeakPolarHBondContact O-CB 3.46Å; I224-A228 PolarHBondContact O-N 2.82Å
225V92.9Very high95.2Very high13 Ų1356 Ų568%0.07928%0.276CS..Hα-helixtrans-72.9-31.1179.7-66.20000112.2H222 G229 A272 F275 L276 L294H222-V225 WeakPolarHBondContact O-CG2 3.49Å; H222-V225 PolarHBondContact O-N 3.41Å; V225-G229 PolarHBondContact O-N 3.47Å; V225-A272 HydrophobicContact CB-CB 4.48Å; V225-A272 HydrophobicContact CG2-CB 3.8Å; V225-F275 HydrophobicContact CB-CD1 4.22Å; V225-F275 HydrophobicContact CG1-CD1 4.13Å; V225-F275 HydrophobicContact CG1-CE1 4.4Å; V225-L276 HydrophobicContact CG1-CD2 4.38Å; V225-L294 HydrophobicContact CG1-CD1 4.02Å; V225-L294 HydrophobicContact CG1-CD2 4.13Å; V225-L294 HydrophobicContact CG2-CD2 4.12Å
226I96.4Very high94.8Very high6 Ų656.3 Ų56.33%0.03128%0.278CS..Hα-helixtrans-61.8-53172.1-68.8167.9000109.6F219 H222 I223 A228 G229 V230 L268 A272F219-I226 HydrophobicContact CB-CD1 4.47Å; F219-I226 HydrophobicContact CD1-CD1 3.3Å; F219-I226 HydrophobicContact CE1-CD1 3.69Å; F219-I226 HydrophobicContact CG-CD1 4.03Å; H222-I226 HydrophobicContact CB-CD1 4.13Å; H222-I226 WeakPolarHBondContact O-CB 3.18Å; H222-I226 WeakPolarHBondContact O-CG1 3.31Å; H222-I226 PolarHBondContact O-N 3.38Å; I223-I226 PolarHBondContact O-N 3.46Å; I226-A228 PolarHBondContact O-N 3.36Å; I226-G229 CarbonylContact O-C 3.24Å; I226-G229 WeakPolarHBondContact O-CA 3.31Å; I226-G229 PolarHBondContact O-N 3.39Å; I226-G229 VanDerWaalsContact O-N 3.1Å; I226-V230 HydrophobicContact CG2-CG2 4.47Å; I226-V230 WeakPolarHBondContact O-CG2 3.18Å; I226-V230 PolarHBondContact O-N 2.91Å; I226-L268 HydrophobicContact CD1-CB 4.23Å; I226-L268 HydrophobicContact CG2-CB 4.18Å; I226-L268 HydrophobicContact CG2-CD2 4.46Å; I226-A272 HydrophobicContact CG1-CB 3.82Å
227M96.5Very high94.7Very high97 Ų9758 Ų5848%0.47828%0.278SS..Hα-helixtrans-65.5-38.8-178.1-68.6-55.4-6500112.3I223 I224 G229 V230 W231 F240I223-M227 HydrophobicContact CG1-CG 4.25Å; I223-M227 WeakPolarHBondContact O-CB 3.23Å; I223-M227 VanDerWaalsContact O-CG 3.23Å; I223-M227 WeakPolarHBondContact O-CG 3.3Å; I223-M227 PolarHBondContact O-N 2.98Å; I224-M227 PolarHBondContact O-N 2.83Å; M227-G229 VanDerWaalsContact C-N 3.3Å; M227-G229 PolarHBondContact O-N 2.96Å; M227-V230 PolarHBondContact O-N 2.97Å; M227-W231 WeakPolarHBondContact O-CB 3.39Å; M227-W231 PolarHBondContact O-N 3.44Å; M227-F240 HydrophobicContact SD-CE2 4.36Å
228A94.2Very high94.5Very high28 Ų2860.5 Ų60.523%0.23128%0.284CS..Hα-helixtrans-63.1-37.4172.500000112I224 I226 T232 F275I224-A228 WeakPolarHBondContact O-CB 3.46Å; I224-A228 PolarHBondContact O-N 2.82Å; I226-A228 PolarHBondContact O-N 3.36Å; A228-T232 WeakPolarHBondContact O-CB 3.22Å; A228-T232 WeakPolarHBondContact O-CG2 3.39Å; A228-T232 PolarHBondContact O-N 2.84Å; A228-T232 PolarHBondContact O-OG1 3.23Å; A228-F275 HydrophobicContact CB-CD1 4.24Å; A228-F275 HydrophobicContact CB-CD2 3.54Å; A228-F275 HydrophobicContact CB-CE1 4.24Å; A228-F275 HydrophobicContact CB-CE2 3.55Å; A228-F275 HydrophobicContact CB-CG 3.9Å; A228-F275 HydrophobicContact CB-CZ 3.91Å
229G96.1Very high94.4Very high0 Ų060.9 Ų60.90%029%0.285CS..Hα-helixtrans-61.7-52.3172.300000112.9V225 I226 M227 W231 T232 S233 Y271V225-G229 PolarHBondContact O-N 3.47Å; I226-G229 CarbonylContact O-C 3.24Å; I226-G229 WeakPolarHBondContact O-CA 3.31Å; I226-G229 PolarHBondContact O-N 3.39Å; I226-G229 VanDerWaalsContact O-N 3.1Å; M227-G229 VanDerWaalsContact C-N 3.3Å; M227-G229 PolarHBondContact O-N 2.96Å; G229-W231 VanDerWaalsContact C-N 3.28Å; G229-W231 PolarHBondContact O-N 2.83Å; G229-T232 PolarHBondContact O-N 3.33Å; G229-T232 PolarHBondContact O-OG1 3.48Å; G229-T232 VanDerWaalsContact O-OG1 3.09Å; G229-S233 VanDerWaalsContact O-CB 3.25Å; G229-S233 WeakPolarHBondContact O-CB 3.4Å; G229-S233 PolarHBondContact O-N 2.89Å; G229-S233 PolarHBondContact O-OG 2.91Å; G229-S233 VanDerWaalsContact O-OG 3.1Å; G229-Y271 VanDerWaalsContact CA-O 3.31Å; G229-Y271 WeakPolarHBondContact CA-O 3.32Å
230V97.5Very high94.4Very high10 Ų1063.7 Ų63.76%0.06130%0.297CS..Hα-helixtrans-58-42.6177173.70000111.1I226 M227 T232 R237 F240 Y271I226-V230 HydrophobicContact CG2-CG2 4.47Å; I226-V230 WeakPolarHBondContact O-CG2 3.18Å; I226-V230 PolarHBondContact O-N 2.91Å; M227-V230 PolarHBondContact O-N 2.97Å; V230-T232 VanDerWaalsContact C-N 3.34Å; V230-T232 PolarHBondContact O-N 3.32Å; V230-R237 PolarHBondContact O-NE 2.88Å; V230-R237 PolarHBondContact O-NH2 2.88Å; V230-F240 HydrophobicContact CB-CD2 4.45Å; V230-F240 HydrophobicContact CG1-CB 4.38Å; V230-F240 HydrophobicContact CG1-CD1 3.73Å; V230-F240 HydrophobicContact CG1-CD2 4.02Å; V230-F240 HydrophobicContact CG1-CE1 3.96Å; V230-F240 HydrophobicContact CG1-CE2 4.23Å; V230-F240 HydrophobicContact CG1-CG 3.76Å; V230-F240 HydrophobicContact CG1-CZ 4.2Å; V230-F240 HydrophobicContact CG2-CB 4.1Å; V230-F240 HydrophobicContact CG2-CD2 3.6Å; V230-F240 HydrophobicContact CG2-CE2 4.19Å; V230-F240 HydrophobicContact CG2-CG 3.86Å; V230-Y271 HydrophobicContact CG2-CD1 3.84Å; V230-Y271 HydrophobicContact CG2-CD2 3.92Å; V230-Y271 HydrophobicContact CG2-CE1 4.43Å; V230-Y271 HydrophobicContact CG2-CE2 4.5Å; V230-Y271 HydrophobicContact CG2-CG 3.56Å
231W96.2Very high94.4Very high195 Ų19567.2 Ų67.274%0.73931%0.313SS*.Hα-helixtrans-61.6-42.8178.8-172.9-87.3000112M227 G229 R237M227-W231 WeakPolarHBondContact O-CB 3.39Å; M227-W231 PolarHBondContact O-N 3.44Å; G229-W231 VanDerWaalsContact C-N 3.28Å; G229-W231 PolarHBondContact O-N 2.83Å; W231-R237 PolarHBondContact O-NH2 2.9Å
232T95.2Very high94.6Very high57 Ų5767 Ų6735%0.3531%0.314SS..Hα-helixtrans-83.3-28.4-176.253.90000113.7A228 G229 V230 K234 Y274A228-T232 WeakPolarHBondContact O-CB 3.22Å; A228-T232 WeakPolarHBondContact O-CG2 3.39Å; A228-T232 PolarHBondContact O-N 2.84Å; A228-T232 PolarHBondContact O-OG1 3.23Å; G229-T232 PolarHBondContact O-N 3.33Å; G229-T232 PolarHBondContact O-OG1 3.48Å; G229-T232 VanDerWaalsContact O-OG1 3.09Å; V230-T232 VanDerWaalsContact C-N 3.34Å; V230-T232 PolarHBondContact O-N 3.32Å; T232-K234 PolarHBondContact O-N 3.34Å; T232-Y274 WeakPolarHBondContact OG1-CE1 3.45Å
233S94.7Very high94.7Very high0 Ų067 Ų670%032%0.315CS..  trans-80.152.2-179.174.10000113.2G229 Q235 N236 Y271G229-S233 VanDerWaalsContact O-CB 3.25Å; G229-S233 WeakPolarHBondContact O-CB 3.4Å; G229-S233 PolarHBondContact O-N 2.89Å; G229-S233 PolarHBondContact O-OG 2.91Å; G229-S233 VanDerWaalsContact O-OG 3.1Å; S233-Q235 PolarHBondContact O-N 3.32Å; S233-N236 CarbonylContact O-C 3.49Å; S233-N236 PolarHBondContact O-N 2.67Å; S233-N236 VanDerWaalsContact O-N 3.11Å; S233-N236 PolarHBondContact OG-O 3.32Å; S233-Y271 WeakPolarHBondContact OG-CD1 3.3Å; S233-Y271 WeakPolarHBondContact OG-CE1 3.06Å
234K89Confident94.8Very high165 Ų16566.7 Ų66.772%0.71732%0.32SS*.THydrogen-bonded Turntrans-56.5-26.1-174.9-66.2-175.9179.8-178.90114.1T232T232-K234 PolarHBondContact O-N 3.34Å
235Q85.3Confident95Very high180 Ų18066.2 Ų66.284%0.84132%0.319SS*.THydrogen-bonded Turntrans-74.1-28.9-178.3-65174.1-2.900113.3S233S233-Q235 PolarHBondContact O-N 3.32Å
236N91.3Very high95.2Very high41 Ų4168 Ų6822%0.21932%0.324CS..  trans-149.2111.2-177.2-166.1-29.9000111L109 F110 S233 F238 Y271L109-N236 WeakPolarHBondContact CD2-ND2 3.44Å; F110-N236 HydrophobicContact CE1-CB 3.94Å; F110-N236 HydrophobicContact CZ-CB 4Å; S233-N236 CarbonylContact O-C 3.49Å; S233-N236 PolarHBondContact O-N 2.67Å; S233-N236 VanDerWaalsContact O-N 3.11Å; S233-N236 PolarHBondContact OG-O 3.32Å; N236-F238 PolarHBondContact OD1-N 3.32Å; N236-Y271 WeakPolarHBondContact O-CE1 3.35Å
237R95.1Very high95.3Very high86 Ų8668.5 Ų68.533%0.32533%0.328SS..  trans-125.315.1176.7-65-178.7177.4165.7-1.3112.4V230 W231 F239 F240 Q241 Y271V230-R237 PolarHBondContact O-NE 2.88Å; V230-R237 PolarHBondContact O-NH2 2.88Å; W231-R237 PolarHBondContact O-NH2 2.9Å; R237-F239 PolarHBondContact O-N 2.92Å; R237-F240 PolarHBondContact O-N 2.89Å; R237-Q241 WeakPolarHBondContact O-CG 3.3Å; R237-Q241 PolarHBondContact O-N 2.64Å; R237-Y271 VanDerWaalsContact C-OH 3.24Å; R237-Y271 WeakPolarHBondContact CA-OH 3.47Å
238F94.2Very high95.3Very high97 Ų9768.8 Ų68.843%0.42533%0.33SS..Hα-helixtrans-56.7-53.4-171.4175.1-104.2000111.9N236 F240 Q241 I242N236-F238 PolarHBondContact OD1-N 3.32Å; F238-F240 VanDerWaalsContact C-N 3.34Å; F238-F240 PolarHBondContact O-N 3.02Å; F238-Q241 WeakPolarHBondContact O-CB 3.29Å; F238-Q241 PolarHBondContact O-N 3.46Å; F238-Q241 VanDerWaalsContact O-N 3.1Å; F238-I242 HydrophobicContact CD1-CG1 4.42Å; F238-I242 HydrophobicContact CE1-CG1 4.01Å; F238-I242 HydrophobicContact CE2-CD1 4.17Å; F238-I242 HydrophobicContact CE2-CG1 4.11Å; F238-I242 HydrophobicContact CZ-CD1 4.05Å; F238-I242 HydrophobicContact CZ-CG1 3.84Å; F238-I242 WeakPolarHBondContact O-CG1 3.43Å; F238-I242 PolarHBondContact O-N 2.88Å
239F95.7Very high95.4Very high7 Ų771 Ų713%0.03134%0.341CS..Hα-helixtrans-67.2-32-179.1-70.7-66.5000113.5L105 L109 S149 I153 R237 Q241 I242 C243 L267 Y271L105-F239 HydrophobicContact CD1-CE2 3.82Å; L105-F239 HydrophobicContact CD1-CZ 3.98Å; L105-F239 HydrophobicContact CD2-CE2 4.4Å; L105-F239 HydrophobicContact CD2-CZ 4.31Å; L105-F239 HydrophobicContact CG-CE2 4.47Å; L109-F239 HydrophobicContact CD1-CD2 3.71Å; L109-F239 HydrophobicContact CD1-CE2 3.64Å; L109-F239 HydrophobicContact CD2-CD2 4.32Å; L109-F239 HydrophobicContact CD2-CE2 3.96Å; L109-F239 HydrophobicContact CG-CE2 4.32Å; S149-F239 WeakPolarHBondContact OG-CE1 3.48Å; I153-F239 HydrophobicContact CD1-CE2 4.09Å; I153-F239 HydrophobicContact CD1-CZ 4.36Å; R237-F239 PolarHBondContact O-N 2.92Å; F239-Q241 VanDerWaalsContact C-N 3.35Å; F239-I242 PolarHBondContact O-N 3.46Å; F239-C243 WeakPolarHBondContact O-CB 3.46Å; F239-C243 PolarHBondContact O-N 3.03Å; F239-C243 PolarHBondContact O-SG 3.43Å; F239-L267 HydrophobicContact CB-CB 4.34Å; F239-L267 HydrophobicContact CB-CD2 4.38Å; F239-L267 HydrophobicContact CD1-CD1 3.97Å; F239-L267 HydrophobicContact CD1-CD2 3.58Å; F239-L267 HydrophobicContact CD1-CG 4.32Å; F239-L267 HydrophobicContact CE1-CD2 3.96Å; F239-L267 HydrophobicContact CG-CD2 3.95Å; F239-Y271 HydrophobicContact CB-CE2 4.3Å; F239-Y271 PolarHBondContact N-OH 2.98Å
240F97.6Very high95.2Very high60 Ų6072.8 Ų72.826%0.26335%0.349SS..Hα-helixtrans-61.4-44170.6172-101.2000111.5M227 V230 R237 F238 C243 A244 L268 Y271M227-F240 HydrophobicContact SD-CE2 4.36Å; V230-F240 HydrophobicContact CB-CD2 4.45Å; V230-F240 HydrophobicContact CG1-CB 4.38Å; V230-F240 HydrophobicContact CG1-CD1 3.73Å; V230-F240 HydrophobicContact CG1-CD2 4.02Å; V230-F240 HydrophobicContact CG1-CE1 3.96Å; V230-F240 HydrophobicContact CG1-CE2 4.23Å; V230-F240 HydrophobicContact CG1-CG 3.76Å; V230-F240 HydrophobicContact CG1-CZ 4.2Å; V230-F240 HydrophobicContact CG2-CB 4.1Å; V230-F240 HydrophobicContact CG2-CD2 3.6Å; V230-F240 HydrophobicContact CG2-CE2 4.19Å; V230-F240 HydrophobicContact CG2-CG 3.86Å; R237-F240 PolarHBondContact O-N 2.89Å; F238-F240 VanDerWaalsContact C-N 3.34Å; F238-F240 PolarHBondContact O-N 3.02Å; F240-C243 PolarHBondContact O-N 3.13Å; F240-A244 WeakPolarHBondContact O-CB 3.24Å; F240-A244 PolarHBondContact O-N 2.92Å; F240-L268 HydrophobicContact CD2-CD2 3.97Å; F240-Y271 HydrophobicContact CB-CD2 4.34Å; F240-Y271 HydrophobicContact CB-CE1 4.5Å; F240-Y271 HydrophobicContact CB-CE2 3.61Å; F240-Y271 PolarHBondContact N-OH 3.35Å
241Q97.2Very high95.2Very high120 Ų12072.8 Ų72.856%0.56135%0.35SS*.Hα-helixtrans-63.9-41.4177.7-68.2165.4-25.900111.7R237 F238 F239 A244 L245R237-Q241 WeakPolarHBondContact O-CG 3.3Å; R237-Q241 PolarHBondContact O-N 2.64Å; F238-Q241 WeakPolarHBondContact O-CB 3.29Å; F238-Q241 PolarHBondContact O-N 3.46Å; F238-Q241 VanDerWaalsContact O-N 3.1Å; F239-Q241 VanDerWaalsContact C-N 3.35Å; Q241-A244 PolarHBondContact O-N 3.38Å; Q241-L245 WeakPolarHBondContact O-CB 3.41Å; Q241-L245 PolarHBondContact O-N 2.72Å
242I96.2Very high95Very high77 Ų7770.2 Ų70.240%0.39535%0.35SS..Hα-helixtrans-62.2-47174.3-64.6-60.7000111F238 F239 A244 L245 Y246F238-I242 HydrophobicContact CD1-CG1 4.42Å; F238-I242 HydrophobicContact CE1-CG1 4.01Å; F238-I242 HydrophobicContact CE2-CD1 4.17Å; F238-I242 HydrophobicContact CE2-CG1 4.11Å; F238-I242 HydrophobicContact CZ-CD1 4.05Å; F238-I242 HydrophobicContact CZ-CG1 3.84Å; F238-I242 WeakPolarHBondContact O-CG1 3.43Å; F238-I242 PolarHBondContact O-N 2.88Å; F239-I242 PolarHBondContact O-N 3.46Å; I242-A244 VanDerWaalsContact C-N 3.34Å; I242-A244 PolarHBondContact O-N 2.96Å; I242-L245 PolarHBondContact O-N 3.41Å; I242-Y246 VanDerWaalsContact O-CB 3.31Å; I242-Y246 WeakPolarHBondContact O-CB 3.48Å; I242-Y246 PolarHBondContact O-N 3.39Å
243C98.1Very high94.7Very high6 Ų669.3 Ų69.34%0.04134%0.342CS..Hα-helixtrans-63.2-38.7176.3-69.10000112.2F239 F240 Y246 V247 T264 L268F239-C243 WeakPolarHBondContact O-CB 3.46Å; F239-C243 PolarHBondContact O-N 3.03Å; F239-C243 PolarHBondContact O-SG 3.43Å; F240-C243 PolarHBondContact O-N 3.13Å; C243-Y246 PolarHBondContact O-N 2.75Å; C243-V247 VanDerWaalsContact O-CG2 3.31Å; C243-V247 WeakPolarHBondContact O-CG2 3.36Å; C243-V247 PolarHBondContact O-N 3.17Å; C243-T264 HydrophobicContact CB-CG2 4.25Å; C243-L268 HydrophobicContact CB-CD1 4.37Å; C243-L268 HydrophobicContact CB-CD2 3.99Å; C243-L268 HydrophobicContact CB-CG 4.18Å
244A98.1Very high94.6Very high47 Ų4770.9 Ų70.939%0.38836%0.355SS..Hα-helixtrans-64.4-43.9176.700000111.7F240 Q241 I242 V247 L248F240-A244 WeakPolarHBondContact O-CB 3.24Å; F240-A244 PolarHBondContact O-N 2.92Å; Q241-A244 PolarHBondContact O-N 3.38Å; I242-A244 VanDerWaalsContact C-N 3.34Å; I242-A244 PolarHBondContact O-N 2.96Å; A244-V247 PolarHBondContact O-N 2.92Å; A244-L248 WeakPolarHBondContact O-CB 3.1Å; A244-L248 PolarHBondContact O-N 3.16Å
245L97.9Very high94.7Very high99 Ų9964.9 Ų64.952%0.51833%0.33SS..Hα-helixtrans-63.3-4417417961.8000111.4Q241 I242 V247 L248 V249Q241-L245 WeakPolarHBondContact O-CB 3.41Å; Q241-L245 PolarHBondContact O-N 2.72Å; I242-L245 PolarHBondContact O-N 3.41Å; L245-V247 PolarHBondContact O-N 3.39Å; L245-L248 WeakPolarHBondContact O-CB 3.4Å; L245-L248 PolarHBondContact O-N 3.31Å; L245-V249 HydrophobicContact CD1-CG2 4.27Å; L245-V249 WeakPolarHBondContact O-CG2 3.27Å; L245-V249 PolarHBondContact O-N 3.21Å
246Y97.3Very high95.2Very high50 Ų5056.7 Ų56.720%0.19629%0.291CS..Hα-helixtrans-57.6-48.2177-179.3-86.1000111.4E141 I242 C243 V249 H250 F260 T264E141-Y246 PolarHBondContact OE1-OH 3.02Å; E141-Y246 VanDerWaalsContact OE1-OH 3.1Å; I242-Y246 VanDerWaalsContact O-CB 3.31Å; I242-Y246 WeakPolarHBondContact O-CB 3.48Å; I242-Y246 PolarHBondContact O-N 3.39Å; C243-Y246 PolarHBondContact O-N 2.75Å; Y246-V249 PolarHBondContact O-N 2.91Å; Y246-H250 AromaticContact CD1-CE1 3.94Å; Y246-H250 AromaticContact CD1-ND1 3.65Å; Y246-H250 AromaticContact CD2-CE1 3.73Å; Y246-H250 AromaticContact CE1-CE1 3.47Å; Y246-H250 VanDerWaalsContact CE1-CE1 3.47Å; Y246-H250 WeakPolarHBondContact CE1-CE1 3.41Å; Y246-H250 AromaticContact CE1-ND1 3.51Å; Y246-H250 AromaticContact CE2-CE1 3.28Å; Y246-H250 WeakPolarHBondContact CE2-CE1 3.39Å; Y246-H250 AromaticContact CE2-ND1 3.95Å; Y246-H250 AromaticContact CG-ND1 3.91Å; Y246-H250 AromaticContact CZ-CE1 3.14Å; Y246-H250 AromaticContact CZ-ND1 3.7Å; Y246-H250 AromaticContact CZ-NE2 3.67Å; Y246-H250 PolarHBondContact O-N 3.29Å; Y246-H250 PolarHBondContact O-ND1 3.35Å; Y246-F260 WeakPolarHBondContact CE1-O 3.47Å; Y246-F260 PolarHBondContact OH-O 3.24Å; Y246-F260 VanDerWaalsContact OH-O 3.06Å; Y246-T264 HydrophobicContact CD1-CG2 3.83Å; Y246-T264 HydrophobicContact CE1-CG2 4.19Å
247V98Very high95.4Very high17 Ų1756.3 Ų56.310%0.10329%0.288CS..Hα-helixtrans-63.9-40.7176.5171.40000111.3Y210 I215 C243 A244 L245 H250 S251 L261 T264Y210-V247 HydrophobicContact CG-CG1 4.42Å; I215-V247 HydrophobicContact CD1-CG1 4.22Å; I215-V247 HydrophobicContact CD1-CG2 4.39Å; C243-V247 VanDerWaalsContact O-CG2 3.31Å; C243-V247 WeakPolarHBondContact O-CG2 3.36Å; C243-V247 PolarHBondContact O-N 3.17Å; A244-V247 PolarHBondContact O-N 2.92Å; L245-V247 PolarHBondContact O-N 3.39Å; V247-H250 PolarHBondContact O-N 3.19Å; V247-S251 VanDerWaalsContact O-CB 3.32Å; V247-S251 WeakPolarHBondContact O-CB 3.37Å; V247-S251 PolarHBondContact O-N 3.43Å; V247-S251 PolarHBondContact O-OG 2.95Å; V247-L261 HydrophobicContact CG2-CD2 3.74Å; V247-T264 HydrophobicContact CG2-CG2 4.46Å
248L97.2Very high95.5Very high102 Ų10255.5 Ų55.553%0.53429%0.287SS..Hα-helixtrans-60-47.1177.2179.365.2000111.4A244 L245 S251A244-L248 WeakPolarHBondContact O-CB 3.1Å; A244-L248 PolarHBondContact O-N 3.16Å; L245-L248 WeakPolarHBondContact O-CB 3.4Å; L245-L248 PolarHBondContact O-N 3.31Å; L248-S251 WeakPolarHBondContact O-CB 3.45Å; L248-S251 PolarHBondContact O-N 3.27Å
249V94.6Very high95.6Very high76 Ų7651.4 Ų51.446%0.46127%0.269SS..Hα-helixtrans-63.3-45.8178.51730000111L245 Y246 S251 L252L245-V249 HydrophobicContact CD1-CG2 4.27Å; L245-V249 WeakPolarHBondContact O-CG2 3.27Å; L245-V249 PolarHBondContact O-N 3.21Å; Y246-V249 PolarHBondContact O-N 2.91Å; V249-S251 PolarHBondContact O-N 2.76Å; V249-L252 WeakPolarHBondContact O-CB 3.29Å; V249-L252 PolarHBondContact O-N 3.17Å
250H93.4Very high95.7Very high37 Ų3752.7 Ų52.717%0.17128%0.275CS..Hα-helixtrans-65.3-28.5177-74.877.9000112.7Y210 Y246 V247 L252 I253Y210-H250 HydrophobicContact CD2-CB 4.41Å; Y210-H250 HydrophobicContact CE2-CB 3.75Å; Y210-H250 WeakPolarHBondContact CE2-O 3.48Å; Y246-H250 AromaticContact CD1-CE1 3.94Å; Y246-H250 AromaticContact CD1-ND1 3.65Å; Y246-H250 AromaticContact CD2-CE1 3.73Å; Y246-H250 AromaticContact CE1-CE1 3.47Å; Y246-H250 VanDerWaalsContact CE1-CE1 3.47Å; Y246-H250 WeakPolarHBondContact CE1-CE1 3.41Å; Y246-H250 AromaticContact CE1-ND1 3.51Å; Y246-H250 AromaticContact CE2-CE1 3.28Å; Y246-H250 WeakPolarHBondContact CE2-CE1 3.39Å; Y246-H250 AromaticContact CE2-ND1 3.95Å; Y246-H250 AromaticContact CG-ND1 3.91Å; Y246-H250 AromaticContact CZ-CE1 3.14Å; Y246-H250 AromaticContact CZ-ND1 3.7Å; Y246-H250 AromaticContact CZ-NE2 3.67Å; Y246-H250 PolarHBondContact O-N 3.29Å; Y246-H250 PolarHBondContact O-ND1 3.35Å; V247-H250 PolarHBondContact O-N 3.19Å; H250-L252 PolarHBondContact O-N 3.47Å; H250-I253 PolarHBondContact O-N 3.36Å; H250-I253 VanDerWaalsContact O-N 3.1Å
251S95.9Very high95.7Very high9 Ų950 Ų506%0.06326%0.263CS..Hα-helixtrans-64.3-23177-63.50000113W207 V247 L248 V249 I253 K256W207-S251 VanDerWaalsContact O-CB 3.29Å; W207-S251 WeakPolarHBondContact O-CB 3.25Å; V247-S251 VanDerWaalsContact O-CB 3.32Å; V247-S251 WeakPolarHBondContact O-CB 3.37Å; V247-S251 PolarHBondContact O-N 3.43Å; V247-S251 PolarHBondContact O-OG 2.95Å; L248-S251 WeakPolarHBondContact O-CB 3.45Å; L248-S251 PolarHBondContact O-N 3.27Å; V249-S251 PolarHBondContact O-N 2.76Å; S251-I253 VanDerWaalsContact C-N 3.31Å; S251-K256 WeakPolarHBondContact O-CE 3.25Å; S251-K256 PolarHBondContact O-NZ 3.47Å
252L91.9Very high95.7Very high141 Ų14144.4 Ų44.474%0.73824%0.237SC*.THydrogen-bonded Turntrans-77-15.6176.1-56.5176.6000113.3V249 H250V249-L252 WeakPolarHBondContact O-CB 3.29Å; V249-L252 PolarHBondContact O-N 3.17Å; H250-L252 PolarHBondContact O-N 3.47Å
253I90.6Very high95.8Very high39 Ų3941 Ų4120%0.222%0.22CC..SBendtrans-82.6136.4178.7-55.6175000109.1H250 S251 H255 K256H250-I253 PolarHBondContact O-N 3.36Å; H250-I253 VanDerWaalsContact O-N 3.1Å; S251-I253 VanDerWaalsContact C-N 3.31Å; I253-H255 WeakPolarHBondContact CG2-O 3.44Å; I253-K256 PolarHBondContact O-NZ 2.89Å
254A91.3Very high95.8Very high33 Ų3340.9 Ų40.927%0.27322%0.219SC..SBendtrans-62-51.6-17800000111.6A200 S204 H205A200-A254 HydrophobicContact CB-CB 4.26Å; S204-A254 WeakPolarHBondContact CA-O 3.29Å; H205-A254 PolarHBondContact N-O 3.29Å
255H92.6Very high95.8Very high38 Ų3838.7 Ų38.718%0.17620%0.2CC..SBendtrans-78137.3175.3-167.968.2000111.6S199 F202 G203 I253 E257S199-H255 WeakPolarHBondContact O-CB 3.34Å; F202-H255 PolarHBondContact O-CE1 3.04Å; F202-H255 PolarHBondContact O-ND1 3.49Å; G203-H255 WeakPolarHBondContact O-CA 3.34Å; G203-H255 PolarHBondContact O-ND1 3.29Å; G203-H255 VanDerWaalsContact O-ND1 3.16Å; I253-H255 WeakPolarHBondContact CG2-O 3.44Å; H255-E257 IonicContact CD2-OE1 3.32Å; H255-E257 VanDerWaalsContact NE2-CG 3.34Å; H255-E257 WeakPolarHBondContact NE2-CG 3.25Å; H255-E257 IonicContact NE2-OE1 2.77Å; H255-E257 PolarHBondContact NE2-OE1 2.97Å
256K95.5Very high95.8Very high8 Ų834 Ų344%0.03518%0.176CC..  trans-140.3140.2-175-62.6-176.9178.6610109.7H205 P206 W209 Y210 S251 I253H205-K256 HydrophobicContact CB-CB 4.27Å; H205-K256 HydrophobicContact CB-CD 3.9Å; H205-K256 HydrophobicContact CB-CG 4.23Å; H205-K256 PolarHBondContact O-NZ 3.4Å; P206-K256 WeakPolarHBondContact O-CE 3.42Å; P206-K256 PolarHBondContact O-NZ 3.46Å; W209-K256 HydrophobicContact CB-CD 3.68Å; W209-K256 HydrophobicContact CD2-CB 4.18Å; W209-K256 HydrophobicContact CD2-CD 4.23Å; W209-K256 HydrophobicContact CE3-CB 3.73Å; W209-K256 HydrophobicContact CE3-CD 3.97Å; W209-K256 HydrophobicContact CE3-CG 4.48Å; W209-K256 HydrophobicContact CG-CD 4.15Å; W209-K256 HydrophobicContact CZ3-CB 4.05Å; Y210-K256 HydrophobicContact CD2-CD 3.88Å; Y210-K256 HydrophobicContact CD2-CG 4.38Å; Y210-K256 HydrophobicContact CE1-CB 4.42Å; Y210-K256 HydrophobicContact CE2-CB 4.04Å; Y210-K256 HydrophobicContact CE2-CD 3.64Å; Y210-K256 HydrophobicContact CE2-CG 3.64Å; Y210-K256 WeakPolarHBondContact OH-CA 3.32Å; S251-K256 WeakPolarHBondContact O-CE 3.25Å; S251-K256 PolarHBondContact O-NZ 3.47Å; I253-K256 PolarHBondContact O-NZ 2.89Å
257E95.4Very high95.8Very high33 Ų3331.9 Ų31.915%0.15417%0.168CC..  trans-143.2147.2-177.7-63.9-172.6-115.900110.8Y210 H255 R259 F260Y210-E257 PolarHBondContact OH-N 2.85Å; H255-E257 IonicContact CD2-OE1 3.32Å; H255-E257 VanDerWaalsContact NE2-CG 3.34Å; H255-E257 WeakPolarHBondContact NE2-CG 3.25Å; H255-E257 IonicContact NE2-OE1 2.77Å; H255-E257 PolarHBondContact NE2-OE1 2.97Å; E257-R259 HydrophobicContact CB-CG 4.06Å; E257-R259 VanDerWaalsContact CD-NE 3.35Å; E257-R259 PolarHBondContact O-N 2.83Å; E257-R259 IonicContact OE1-CZ 3.24Å; E257-R259 IonicContact OE1-NE 2.86Å; E257-R259 PolarHBondContact OE1-NE 3.19Å; E257-R259 IonicContact OE1-NH2 3.04Å; E257-R259 PolarHBondContact OE1-NH2 3.44Å; E257-R259 IonicContact OE2-CZ 2.84Å; E257-R259 IonicContact OE2-NE 3.88Å; E257-R259 PolarHBondContact OE2-NE 3.24Å; E257-R259 IonicContact OE2-NH2 2.71Å; E257-R259 PolarHBondContact OE2-NH2 2.83Å; E257-F260 HydrophobicContact CB-CD1 4.44Å; E257-F260 HydrophobicContact CB-CD2 4.29Å; E257-F260 HydrophobicContact CB-CE1 4.29Å; E257-F260 HydrophobicContact CB-CE2 4.11Å; E257-F260 HydrophobicContact CB-CG 4.41Å; E257-F260 HydrophobicContact CB-CZ 4.09Å; E257-F260 HydrophobicContact CG-CE2 4.24Å; E257-F260 HydrophobicContact CG-CZ 4.08Å; E257-F260 PolarHBondContact O-N 3.29Å; E257-F260 WeakPolarHBondContact OE1-CZ 3.29Å
258F97.1Very high95.8Very high70 Ų7032 Ų3231%0.30717%0.168SC..G310 helixtrans-60.5-34.5178.4-63.8-70.8000112.5F127 W209 S217 V218 F260 L261F127-F258 VanDerWaalsContact CE1-O 3.32Å; F127-F258 WeakPolarHBondContact CE1-O 3.3Å; F127-F258 HydrophobicContact CE2-CB 3.92Å; F127-F258 VanDerWaalsContact CZ-C 3.45Å; F127-F258 HydrophobicContact CZ-CB 3.72Å; F127-F258 WeakPolarHBondContact CZ-O 3.35Å; W209-F258 AromaticContact CH2-CD1 3.65Å; W209-F258 HydrophobicContact CH2-CD1 3.65Å; W209-F258 HydrophobicContact CH2-CD2 4.22Å; W209-F258 AromaticContact CH2-CE1 3.52Å; W209-F258 HydrophobicContact CH2-CE1 3.52Å; W209-F258 HydrophobicContact CH2-CE2 4.11Å; W209-F258 HydrophobicContact CH2-CG 4.01Å; W209-F258 AromaticContact CH2-CZ 3.77Å; W209-F258 HydrophobicContact CH2-CZ 3.77Å; W209-F258 HydrophobicContact CZ2-CD1 4.38Å; W209-F258 AromaticContact CZ2-CE1 3.82Å; W209-F258 HydrophobicContact CZ2-CE1 3.82Å; W209-F258 HydrophobicContact CZ2-CE2 4.09Å; W209-F258 AromaticContact CZ2-CZ 3.66Å; W209-F258 HydrophobicContact CZ2-CZ 3.66Å; W209-F258 HydrophobicContact CZ3-CD1 4.41Å; W209-F258 HydrophobicContact CZ3-CE1 4.45Å; S217-F258 VanDerWaalsContact CB-CE1 3.49Å; V218-F258 HydrophobicContact CG2-CB 4.25Å; V218-F258 HydrophobicContact CG2-CD1 4.08Å; F258-F260 PolarHBondContact O-N 2.84Å; F258-L261 WeakPolarHBondContact O-CB 3.38Å; F258-L261 PolarHBondContact O-N 2.88Å
259R96.4Very high95.9Very high11 Ų1127.1 Ų27.14%0.04214%0.143CC..G310 helixtrans-63.2-23.4-178.568.2179.5171.8127.6-5.6113.7F30 D33 F127 N138 E257 L261 L262F30-R259 HydrophobicContact CE1-CB 4.06Å; F30-R259 HydrophobicContact CZ-CB 4.3Å; D33-R259 VanDerWaalsContact CB-NH1 3.26Å; D33-R259 VanDerWaalsContact CG-CZ 3.42Å; D33-R259 IonicContact OD1-CZ 2.89Å; D33-R259 IonicContact OD1-NH1 3.07Å; D33-R259 PolarHBondContact OD1-NH1 3.1Å; D33-R259 IonicContact OD1-NH2 3.5Å; D33-R259 PolarHBondContact OD1-NH2 3.22Å; D33-R259 IonicContact OD2-CZ 3.39Å; D33-R259 IonicContact OD2-NH1 2.75Å; D33-R259 IonicContact OD2-NH2 3.41Å; D33-R259 PolarHBondContact OD2-NH2 2.88Å; D33-R259 VanDerWaalsContact OD2-NH2 3.09Å; F127-R259 HydrophobicContact CZ-CB 4.4Å; N138-R259 PolarHBondContact OD1-NH1 3.23Å; E257-R259 HydrophobicContact CB-CG 4.06Å; E257-R259 VanDerWaalsContact CD-NE 3.35Å; E257-R259 PolarHBondContact O-N 2.83Å; E257-R259 IonicContact OE1-CZ 3.24Å; E257-R259 IonicContact OE1-NE 2.86Å; E257-R259 PolarHBondContact OE1-NE 3.19Å; E257-R259 IonicContact OE1-NH2 3.04Å; E257-R259 PolarHBondContact OE1-NH2 3.44Å; E257-R259 IonicContact OE2-CZ 2.84Å; E257-R259 IonicContact OE2-NE 3.88Å; E257-R259 PolarHBondContact OE2-NE 3.24Å; E257-R259 IonicContact OE2-NH2 2.71Å; E257-R259 PolarHBondContact OE2-NH2 2.83Å; R259-L261 PolarHBondContact O-N 3.32Å; R259-L262 WeakPolarHBondContact O-CB 3.4Å; R259-L262 PolarHBondContact O-N 3.5Å; R259-L262 VanDerWaalsContact O-N 3.08Å
260F96.7Very high96Very high34 Ų3423.5 Ų23.515%0.14912%0.121CC..G310 helixtrans-68.2-22.1174.7-57.8-14.8000111.2Y210 Y246 E257 F258 L262 P263Y210-F260 VanDerWaalsContact OH-CD2 3.25Å; Y210-F260 WeakPolarHBondContact OH-CD2 3.32Å; Y246-F260 WeakPolarHBondContact CE1-O 3.47Å; Y246-F260 PolarHBondContact OH-O 3.24Å; Y246-F260 VanDerWaalsContact OH-O 3.06Å; E257-F260 HydrophobicContact CB-CD1 4.44Å; E257-F260 HydrophobicContact CB-CD2 4.29Å; E257-F260 HydrophobicContact CB-CE1 4.29Å; E257-F260 HydrophobicContact CB-CE2 4.11Å; E257-F260 HydrophobicContact CB-CG 4.41Å; E257-F260 HydrophobicContact CB-CZ 4.09Å; E257-F260 HydrophobicContact CG-CE2 4.24Å; E257-F260 HydrophobicContact CG-CZ 4.08Å; E257-F260 PolarHBondContact O-N 3.29Å; E257-F260 WeakPolarHBondContact OE1-CZ 3.29Å; F258-F260 PolarHBondContact O-N 2.84Å; F260-L262 VanDerWaalsContact C-N 3.29Å; F260-L262 PolarHBondContact O-N 3.15Å; F260-P263 WeakPolarHBondContact O-CD 3.24Å
261L97.9Very high96.2Very high2 Ų221.9 Ų21.91%0.0111%0.113CC..G310 helixtrans-78.5-9.2173-64.8176.6000113.6Y210 I215 V218 V247 F258 R259 T264 V265Y210-L261 HydrophobicContact CD1-CD1 3.94Å; Y210-L261 HydrophobicContact CD1-CD2 3.81Å; Y210-L261 HydrophobicContact CD1-CG 3.84Å; Y210-L261 HydrophobicContact CE1-CD1 4.48Å; Y210-L261 HydrophobicContact CE1-CD2 4.25Å; Y210-L261 HydrophobicContact CE1-CG 4.05Å; I215-L261 HydrophobicContact CG1-CD1 4.07Å; I215-L261 HydrophobicContact CG1-CD2 4.36Å; V218-L261 HydrophobicContact CB-CD1 4.32Å; V218-L261 HydrophobicContact CG2-CB 4.23Å; V218-L261 HydrophobicContact CG2-CD1 3.84Å; V247-L261 HydrophobicContact CG2-CD2 3.74Å; F258-L261 WeakPolarHBondContact O-CB 3.38Å; F258-L261 PolarHBondContact O-N 2.88Å; R259-L261 PolarHBondContact O-N 3.32Å; L261-T264 WeakPolarHBondContact O-CB 3.36Å; L261-T264 PolarHBondContact O-N 2.89Å; L261-T264 PolarHBondContact O-OG1 3.38Å; L261-V265 PolarHBondContact O-N 3.03Å
262L97.6Very high96.2Very high4 Ų421.4 Ų21.42%0.02111%0.11CC..THydrogen-bonded Turntrans-57.3-39.3-172.9-175.460.8000114.5F127 C131 N138 S142 R259 F260 T264 V265 P266F127-L262 HydrophobicContact CD1-CD1 4.26Å; F127-L262 HydrophobicContact CE1-CB 4.22Å; F127-L262 HydrophobicContact CE1-CD1 4.31Å; C131-L262 HydrophobicContact CB-CD1 3.91Å; C131-L262 HydrophobicContact CB-CD2 3.66Å; C131-L262 HydrophobicContact CB-CG 4.44Å; N138-L262 HydrophobicContact CB-CB 4.48Å; N138-L262 HydrophobicContact CB-CD2 4.24Å; S142-L262 PolarHBondContact OG-O 3.44Å; R259-L262 WeakPolarHBondContact O-CB 3.4Å; R259-L262 PolarHBondContact O-N 3.5Å; R259-L262 VanDerWaalsContact O-N 3.08Å; F260-L262 VanDerWaalsContact C-N 3.29Å; F260-L262 PolarHBondContact O-N 3.15Å; L262-T264 PolarHBondContact O-N 3.3Å; L262-V265 PolarHBondContact O-N 2.82Å; L262-P266 WeakPolarHBondContact O-CD 3.06Å
263P97.5Very high96.3Very high6 Ų614.7 Ų14.74%0.0398%0.075CC..THydrogen-bonded Turntrans-65.2-23.5174.8-22.135000113.9E141 F260E141-P263 HydrophobicContact CB-CG 4.37Å; E141-P263 VanDerWaalsContact CD-CG 3.43Å; E141-P263 HydrophobicContact CG-CG 3.82Å; F260-P263 WeakPolarHBondContact O-CD 3.24Å
264T98.2Very high96.5Very high3 Ų313.8 Ų13.82%0.0187%0.069CC..Hα-helixtrans-77.6-26.5179.275.50000112.5C243 Y246 V247 L261 L262 L267 L268C243-T264 HydrophobicContact CB-CG2 4.25Å; Y246-T264 HydrophobicContact CD1-CG2 3.83Å; Y246-T264 HydrophobicContact CE1-CG2 4.19Å; V247-T264 HydrophobicContact CG2-CG2 4.46Å; L261-T264 WeakPolarHBondContact O-CB 3.36Å; L261-T264 PolarHBondContact O-N 2.89Å; L261-T264 PolarHBondContact O-OG1 3.38Å; L262-T264 PolarHBondContact O-N 3.3Å; T264-L267 PolarHBondContact O-N 3.46Å; T264-L268 WeakPolarHBondContact O-CB 3.37Å; T264-L268 WeakPolarHBondContact O-CG 3.43Å; T264-L268 PolarHBondContact O-N 3.45Å
265V98.3Very high96.6Very high0 Ų014.6 Ų14.60%07%0.066CC..Hα-helixtrans-57-54.8-175.5179.50000113.3Y122 N125 F127 Q128 V218 F219 L261 L262 L267 S269Y122-V265 HydrophobicContact CD2-CG1 4.45Å; N125-V265 HydrophobicContact CB-CG1 4.3Å; F127-V265 HydrophobicContact CD1-CG2 4.45Å; Q128-V265 HydrophobicContact CB-CG1 4.07Å; V218-V265 HydrophobicContact CG1-CG2 3.58Å; F219-V265 HydrophobicContact CE1-CB 4.42Å; F219-V265 HydrophobicContact CE1-CG1 4.39Å; F219-V265 HydrophobicContact CE1-CG2 4.25Å; F219-V265 HydrophobicContact CZ-CB 4.45Å; F219-V265 HydrophobicContact CZ-CG2 4.01Å; L261-V265 PolarHBondContact O-N 3.03Å; L262-V265 PolarHBondContact O-N 2.82Å; V265-L267 PolarHBondContact O-N 2.88Å; V265-S269 WeakPolarHBondContact O-CB 3.17Å; V265-S269 PolarHBondContact O-N 3.3Å; V265-S269 PolarHBondContact O-OG 2.91Å
266P98Very high96.6Very high1 Ų113.6 Ų13.61%0.0066%0.062CC..Hα-helixtrans-63.7-41.2179.524.4-34.1000112.5L102 Y122 I146 L262 S269L102-P266 HydrophobicContact CD1-CB 4.06Å; L102-P266 HydrophobicContact CD2-CB 3.83Å; Y122-P266 HydrophobicContact CD2-CB 3.88Å; Y122-P266 HydrophobicContact CE2-CB 3.55Å; Y122-P266 HydrophobicContact CE2-CG 4.27Å; I146-P266 HydrophobicContact CD1-CB 3.6Å; I146-P266 HydrophobicContact CD1-CG 3.62Å; I146-P266 HydrophobicContact CG1-CB 3.67Å; I146-P266 HydrophobicContact CG1-CG 3.53Å; L262-P266 WeakPolarHBondContact O-CD 3.06Å; P266-S269 WeakPolarHBondContact O-CB 3.47Å; P266-S269 PolarHBondContact O-N 2.85Å
267L97.8Very high96.4Very high6 Ų614.1 Ų14.13%0.0317%0.068CC..Hα-helixtrans-65.1-43.7-179.5-67.7-179.5000112.5L105 V145 I146 F239 T264 V265 S269 I270L105-L267 HydrophobicContact CD2-CD2 4.1Å; V145-L267 HydrophobicContact CG1-CD1 3.93Å; I146-L267 HydrophobicContact CD1-CD2 3.43Å; I146-L267 VanDerWaalsContact CD1-CD2 3.43Å; I146-L267 HydrophobicContact CD1-CG 3.83Å; F239-L267 HydrophobicContact CB-CB 4.34Å; F239-L267 HydrophobicContact CB-CD2 4.38Å; F239-L267 HydrophobicContact CD1-CD1 3.97Å; F239-L267 HydrophobicContact CD1-CD2 3.58Å; F239-L267 HydrophobicContact CD1-CG 4.32Å; F239-L267 HydrophobicContact CE1-CD2 3.96Å; F239-L267 HydrophobicContact CG-CD2 3.95Å; T264-L267 PolarHBondContact O-N 3.46Å; V265-L267 PolarHBondContact O-N 2.88Å; L267-S269 VanDerWaalsContact C-N 3.33Å; L267-I270 HydrophobicContact CD2-CD1 4.44Å; L267-I270 WeakPolarHBondContact O-CB 3.48Å; L267-I270 WeakPolarHBondContact O-CG1 3.32Å; L267-I270 PolarHBondContact O-N 2.7Å
268L98.4Very high96.1Very high18 Ų1818 Ų189%0.0948%0.081CC..Hα-helixtrans-72.5-28.2178.2-67.9179.5000112.4F219 I226 F240 C243 T264 I270 Y271 A272F219-L268 HydrophobicContact CE1-CB 4.07Å; F219-L268 HydrophobicContact CE1-CD1 4.33Å; F219-L268 HydrophobicContact CE2-CD1 3.96Å; F219-L268 HydrophobicContact CZ-CB 4.1Å; F219-L268 HydrophobicContact CZ-CD1 3.6Å; F219-L268 HydrophobicContact CZ-CG 4.41Å; I226-L268 HydrophobicContact CD1-CB 4.23Å; I226-L268 HydrophobicContact CG2-CB 4.18Å; I226-L268 HydrophobicContact CG2-CD2 4.46Å; F240-L268 HydrophobicContact CD2-CD2 3.97Å; C243-L268 HydrophobicContact CB-CD1 4.37Å; C243-L268 HydrophobicContact CB-CD2 3.99Å; C243-L268 HydrophobicContact CB-CG 4.18Å; T264-L268 WeakPolarHBondContact O-CB 3.37Å; T264-L268 WeakPolarHBondContact O-CG 3.43Å; T264-L268 PolarHBondContact O-N 3.45Å; L268-I270 PolarHBondContact O-N 2.76Å; L268-Y271 HydrophobicContact CD2-CD2 4.31Å; L268-Y271 PolarHBondContact O-N 3.46Å; L268-Y271 VanDerWaalsContact O-N 3.1Å; L268-A272 PolarHBondContact O-N 3.49Å
269S97.8Very high95.6Very high1 Ų117.4 Ų17.41%0.0078%0.081CC..Hα-helixtrans-61.7-22.3173.1-60.40000112.9V265 P266 L267 Y271 A272 G273V265-S269 WeakPolarHBondContact O-CB 3.17Å; V265-S269 PolarHBondContact O-N 3.3Å; V265-S269 PolarHBondContact O-OG 2.91Å; P266-S269 WeakPolarHBondContact O-CB 3.47Å; P266-S269 PolarHBondContact O-N 2.85Å; L267-S269 VanDerWaalsContact C-N 3.33Å; S269-Y271 VanDerWaalsContact C-N 3.31Å; S269-Y271 PolarHBondContact O-N 3.49Å; S269-A272 PolarHBondContact O-N 3.18Å; S269-G273 PolarHBondContact O-N 3.4Å
270I97.8Very high94.4Very high0 Ų017.1 Ų17.10%08%0.081CC..Hα-helixtrans-60.2-42.9173.5-59.4172.3000110.6L102 L105 A106 L109 F110 T118 L267 L268 G273 Y274L102-I270 HydrophobicContact CD1-CD1 4.15Å; L102-I270 HydrophobicContact CD1-CG1 4.03Å; L105-I270 HydrophobicContact CD2-CD1 3.96Å; L105-I270 HydrophobicContact CG-CD1 4.03Å; A106-I270 HydrophobicContact CB-CG1 4.32Å; A106-I270 HydrophobicContact CB-CG2 4.26Å; L109-I270 HydrophobicContact CD1-CD1 3.87Å; L109-I270 HydrophobicContact CD1-CG2 4.13Å; F110-I270 HydrophobicContact CD2-CG2 3.96Å; F110-I270 HydrophobicContact CE2-CG2 3.79Å; T118-I270 HydrophobicContact CG2-CB 4.42Å; T118-I270 HydrophobicContact CG2-CG1 3.91Å; T118-I270 WeakPolarHBondContact OG1-CA 3.4Å; L267-I270 HydrophobicContact CD2-CD1 4.44Å; L267-I270 WeakPolarHBondContact O-CB 3.48Å; L267-I270 WeakPolarHBondContact O-CG1 3.32Å; L267-I270 PolarHBondContact O-N 2.7Å; L268-I270 PolarHBondContact O-N 2.76Å; I270-G273 CarbonylContact O-C 3.6Å; I270-G273 WeakPolarHBondContact O-CA 3.46Å; I270-G273 PolarHBondContact O-N 2.91Å; I270-Y274 PolarHBondContact O-N 3.22Å
271Y97.8Very high92.5Very high2 Ų222 Ų221%0.00810%0.103CC..Hα-helixtrans-71.4-37-179.8-61.8-74.7000112.5F110 G229 V230 S233 N236 R237 F239 F240 L268 S269 G273 Y274 F275F110-Y271 HydrophobicContact CZ-CE1 4.33Å; G229-Y271 VanDerWaalsContact CA-O 3.31Å; G229-Y271 WeakPolarHBondContact CA-O 3.32Å; V230-Y271 HydrophobicContact CG2-CD1 3.84Å; V230-Y271 HydrophobicContact CG2-CD2 3.92Å; V230-Y271 HydrophobicContact CG2-CE1 4.43Å; V230-Y271 HydrophobicContact CG2-CE2 4.5Å; V230-Y271 HydrophobicContact CG2-CG 3.56Å; S233-Y271 WeakPolarHBondContact OG-CD1 3.3Å; S233-Y271 WeakPolarHBondContact OG-CE1 3.06Å; N236-Y271 WeakPolarHBondContact O-CE1 3.35Å; R237-Y271 VanDerWaalsContact C-OH 3.24Å; R237-Y271 WeakPolarHBondContact CA-OH 3.47Å; F239-Y271 HydrophobicContact CB-CE2 4.3Å; F239-Y271 PolarHBondContact N-OH 2.98Å; F240-Y271 HydrophobicContact CB-CD2 4.34Å; F240-Y271 HydrophobicContact CB-CE1 4.5Å; F240-Y271 HydrophobicContact CB-CE2 3.61Å; F240-Y271 PolarHBondContact N-OH 3.35Å; L268-Y271 HydrophobicContact CD2-CD2 4.31Å; L268-Y271 PolarHBondContact O-N 3.46Å; L268-Y271 VanDerWaalsContact O-N 3.1Å; S269-Y271 VanDerWaalsContact C-N 3.31Å; S269-Y271 PolarHBondContact O-N 3.49Å; Y271-G273 VanDerWaalsContact C-N 3.28Å; Y271-G273 PolarHBondContact O-N 3.23Å; Y271-Y274 WeakPolarHBondContact O-CB 3.45Å; Y271-Y274 PolarHBondContact O-N 2.99Å; Y271-F275 PolarHBondContact O-N 3.23Å
272A95.2Very high90.8Very high0 Ų026.2 Ų26.20%013%0.125CC..Hα-helixtrans-57.2-46.6168.700000110.7A121 V225 I226 L268 S269 Y274 F275 L276A121-A272 HydrophobicContact CB-CB 3.77Å; V225-A272 HydrophobicContact CB-CB 4.48Å; V225-A272 HydrophobicContact CG2-CB 3.8Å; I226-A272 HydrophobicContact CG1-CB 3.82Å; L268-A272 PolarHBondContact O-N 3.49Å; S269-A272 PolarHBondContact O-N 3.18Å; A272-Y274 VanDerWaalsContact C-N 3.33Å; A272-Y274 PolarHBondContact O-N 3.44Å; A272-F275 PolarHBondContact O-N 2.85Å; A272-L276 WeakPolarHBondContact O-CB 3.41Å; A272-L276 VanDerWaalsContact O-CG 3.25Å; A272-L276 WeakPolarHBondContact O-CG 3.47Å; A272-L276 PolarHBondContact O-N 3.32Å
273G94.7Very high88.8Confident0 Ų027.4 Ų27.40%014%0.135CC..Hα-helixtrans-58-43.2175.400000113.1W117 S269 I270 Y271 F275 L276 A277W117-G273 WeakPolarHBondContact CB-O 3.36Å; S269-G273 PolarHBondContact O-N 3.4Å; I270-G273 CarbonylContact O-C 3.6Å; I270-G273 WeakPolarHBondContact O-CA 3.46Å; I270-G273 PolarHBondContact O-N 2.91Å; Y271-G273 VanDerWaalsContact C-N 3.28Å; Y271-G273 PolarHBondContact O-N 3.23Å; G273-F275 PolarHBondContact O-N 3.32Å; G273-L276 PolarHBondContact O-N 2.91Å; G273-A277 VanDerWaalsContact O-CB 3.29Å; G273-A277 WeakPolarHBondContact O-CB 3.14Å; G273-A277 PolarHBondContact O-N 3.46Å
274Y95.2Very high86.9Confident20 Ų2030.3 Ų30.38%0.07815%0.15CC..Hα-helixtrans-61-47.2179178.8-90.3000112.2F110 T232 I270 Y271 A272 R278F110-Y274 HydrophobicContact CB-CD2 4.04Å; F110-Y274 HydrophobicContact CB-CE2 4.45Å; F110-Y274 AromaticContact CD1-CD2 3.31Å; F110-Y274 HydrophobicContact CD1-CD2 3.31Å; F110-Y274 AromaticContact CD1-CE2 3.31Å; F110-Y274 HydrophobicContact CD1-CE2 3.31Å; F110-Y274 HydrophobicContact CD1-CG 4.49Å; F110-Y274 AromaticContact CD2-CD2 3.83Å; F110-Y274 HydrophobicContact CD2-CD2 3.83Å; F110-Y274 AromaticContact CE1-CD2 3.55Å; F110-Y274 HydrophobicContact CE1-CD2 3.55Å; F110-Y274 AromaticContact CE1-CE2 3.54Å; F110-Y274 HydrophobicContact CE1-CE2 3.54Å; F110-Y274 HydrophobicContact CE1-CG 4.43Å; F110-Y274 HydrophobicContact CE2-CD2 4.05Å; F110-Y274 AromaticContact CG-CD2 3.45Å; F110-Y274 HydrophobicContact CG-CD2 3.45Å; F110-Y274 VanDerWaalsContact CG-CD2 3.45Å; F110-Y274 AromaticContact CG-CE2 3.92Å; F110-Y274 HydrophobicContact CG-CE2 3.92Å; F110-Y274 AromaticContact CZ-CD2 3.91Å; F110-Y274 HydrophobicContact CZ-CD2 3.91Å; F110-Y274 HydrophobicContact CZ-CE2 4.31Å; F110-Y274 HydrophobicContact CZ-CG 4.43Å; T232-Y274 WeakPolarHBondContact OG1-CE1 3.45Å; I270-Y274 PolarHBondContact O-N 3.22Å; Y271-Y274 WeakPolarHBondContact O-CB 3.45Å; Y271-Y274 PolarHBondContact O-N 2.99Å; A272-Y274 VanDerWaalsContact C-N 3.33Å; A272-Y274 PolarHBondContact O-N 3.44Å; Y274-R278 VanDerWaalsContact CZ-NE 3.28Å; Y274-R278 PolarHBondContact O-NH1 3.49Å; Y274-R278 PolarHBondContact OH-NE 3.46Å
275F93.7Very high84.8Confident49 Ų4934.9 Ų34.922%0.21518%0.179CC..Hα-helixtrans-63.8-48178.5-176.7-104.1000111.2V225 A228 Y271 A272 G273 R278 N279V225-F275 HydrophobicContact CB-CD1 4.22Å; V225-F275 HydrophobicContact CG1-CD1 4.13Å; V225-F275 HydrophobicContact CG1-CE1 4.4Å; A228-F275 HydrophobicContact CB-CD1 4.24Å; A228-F275 HydrophobicContact CB-CD2 3.54Å; A228-F275 HydrophobicContact CB-CE1 4.24Å; A228-F275 HydrophobicContact CB-CE2 3.55Å; A228-F275 HydrophobicContact CB-CG 3.9Å; A228-F275 HydrophobicContact CB-CZ 3.91Å; Y271-F275 PolarHBondContact O-N 3.23Å; A272-F275 PolarHBondContact O-N 2.85Å; G273-F275 PolarHBondContact O-N 3.32Å; F275-R278 PolarHBondContact O-N 3.19Å; F275-N279 WeakPolarHBondContact CD2-ND2 3.38Å; F275-N279 HydrophobicContact CE1-CB 4.3Å; F275-N279 WeakPolarHBondContact CE2-ND2 3.3Å; F275-N279 HydrophobicContact CZ-CB 4.25Å; F275-N279 WeakPolarHBondContact O-CB 3.22Å; F275-N279 PolarHBondContact O-N 2.95Å; F275-N279 PolarHBondContact O-ND2 3.22Å
276L91.4Very high82.8Confident18 Ų1843 Ų439%0.09421%0.214CC..Hα-helixtrans-63.7-43.7-179.9-68.6172.2000110.7W117 V225 A272 G273 R278 N279 A280W117-L276 HydrophobicContact CB-CB 3.99Å; W117-L276 HydrophobicContact CD2-CB 3.8Å; W117-L276 HydrophobicContact CE3-CB 3.72Å; W117-L276 HydrophobicContact CE3-CD1 3.99Å; W117-L276 HydrophobicContact CE3-CG 4.38Å; W117-L276 HydrophobicContact CG-CB 3.92Å; V225-L276 HydrophobicContact CG1-CD2 4.38Å; A272-L276 WeakPolarHBondContact O-CB 3.41Å; A272-L276 VanDerWaalsContact O-CG 3.25Å; A272-L276 WeakPolarHBondContact O-CG 3.47Å; A272-L276 PolarHBondContact O-N 3.32Å; G273-L276 PolarHBondContact O-N 2.91Å; L276-R278 PolarHBondContact O-N 2.88Å; L276-N279 PolarHBondContact O-N 3.38Å; L276-N279 VanDerWaalsContact O-N 3.16Å; L276-A280 VanDerWaalsContact O-CA 3.24Å; L276-A280 WeakPolarHBondContact O-CA 3.09Å; L276-A280 WeakPolarHBondContact O-CB 3.34Å; L276-A280 PolarHBondContact O-N 3.08Å
277A91Very high81.2Confident19 Ų1944.5 Ų44.516%0.15722%0.224CC..Hα-helixtrans-54.8-33.4178.700000114.4W117 G273W117-A277 HydrophobicContact CG-CB 4.34Å; G273-A277 VanDerWaalsContact O-CB 3.29Å; G273-A277 WeakPolarHBondContact O-CB 3.14Å; G273-A277 PolarHBondContact O-N 3.46Å
278R90.5Very high80Confident114 Ų11451.9 Ų51.943%0.4326%0.256SS..Hα-helixtrans-92.7-24.6-177.6-71.7163176.467.98.7113.6D111 T114 Y274 F275 L276D111-R278 IonicContact OD2-CZ 2.69Å; D111-R278 IonicContact OD2-NH1 2.79Å; D111-R278 PolarHBondContact OD2-NH1 3.46Å; D111-R278 IonicContact OD2-NH2 2.61Å; D111-R278 PolarHBondContact OD2-NH2 2.99Å; T114-R278 PolarHBondContact OG1-NH1 2.93Å; T114-R278 VanDerWaalsContact OG1-NH1 3.09Å; Y274-R278 VanDerWaalsContact CZ-NE 3.28Å; Y274-R278 PolarHBondContact O-NH1 3.49Å; Y274-R278 PolarHBondContact OH-NE 3.46Å; F275-R278 PolarHBondContact O-N 3.19Å; L276-R278 PolarHBondContact O-N 2.88Å
279N86.9Confident79Confident57 Ų5760.7 Ų60.731%0.30529%0.288SS..Hα-helixtrans-116.6-9.4-173.9-61.8-80.8000113.8F275 L276 F281 N282 A283F275-N279 WeakPolarHBondContact CD2-ND2 3.38Å; F275-N279 HydrophobicContact CE1-CB 4.3Å; F275-N279 WeakPolarHBondContact CE2-ND2 3.3Å; F275-N279 HydrophobicContact CZ-CB 4.25Å; F275-N279 WeakPolarHBondContact O-CB 3.22Å; F275-N279 PolarHBondContact O-N 2.95Å; F275-N279 PolarHBondContact O-ND2 3.22Å; L276-N279 PolarHBondContact O-N 3.38Å; L276-N279 VanDerWaalsContact O-N 3.16Å; N279-F281 VanDerWaalsContact C-N 3.28Å; N279-F281 PolarHBondContact O-N 2.88Å; N279-N282 WeakPolarHBondContact O-CA 3.5Å; N279-N282 PolarHBondContact O-N 2.97Å; N279-A283 PolarHBondContact O-N 3.23Å
280A70.2Confident78Confident5 Ų563.8 Ų63.84%0.04131%0.307CS..Hα-helixtrans-56.7-38.1-173.900000112.6W117 L276 N282 A283 L284W117-A280 HydrophobicContact CD2-CB 4.36Å; W117-A280 HydrophobicContact CH2-CB 3.89Å; W117-A280 HydrophobicContact CZ2-CB 3.38Å; W117-A280 HydrophobicContact CZ3-CB 4.46Å; L276-A280 VanDerWaalsContact O-CA 3.24Å; L276-A280 WeakPolarHBondContact O-CA 3.09Å; L276-A280 WeakPolarHBondContact O-CB 3.34Å; L276-A280 PolarHBondContact O-N 3.08Å; A280-N282 PolarHBondContact O-N 3.15Å; A280-A283 PolarHBondContact O-N 3.4Å; A280-A283 VanDerWaalsContact O-N 3.11Å; A280-L284 HydrophobicContact CB-CD1 3.46Å; A280-L284 VanDerWaalsContact CB-CD1 3.46Å; A280-L284 WeakPolarHBondContact O-CD1 3.38Å; A280-L284 PolarHBondContact O-N 3.35Å
281F57.8Low77.1Confident136 Ų13667.4 Ų67.460%0.59632%0.323SS*.Hα-helixtrans-59.9-36.2177.3-174.1-104000111.9N279 T285N279-F281 VanDerWaalsContact C-N 3.28Å; N279-F281 PolarHBondContact O-N 2.88Å; F281-T285 VanDerWaalsContact O-CB 3.3Å; F281-T285 WeakPolarHBondContact O-CB 3.12Å; F281-T285 PolarHBondContact O-OG1 3.16Å
282N61.3Low76.5Confident92 Ų9268.7 Ų68.749%0.49234%0.336SS..Hα-helixtrans-79.5-34.7174-71-32.1000112N279 A280 K286N279-N282 WeakPolarHBondContact O-CA 3.5Å; N279-N282 PolarHBondContact O-N 2.97Å; A280-N282 PolarHBondContact O-N 3.15Å; N282-K286 WeakPolarHBondContact O-CB 2.88Å; N282-K286 WeakPolarHBondContact O-CG 3.26Å; N282-K286 PolarHBondContact O-N 3.42Å
283A56.3Low76Confident28 Ų2872.4 Ų72.423%0.23136%0.356CS..Hα-helixtrans-77-51.5-176.600000114.2N279 A280 S287N279-A283 PolarHBondContact O-N 3.23Å; A280-A283 PolarHBondContact O-N 3.4Å; A280-A283 VanDerWaalsContact O-N 3.11Å; A283-S287 CarbonylContact O-C 3.59Å; A283-S287 PolarHBondContact O-N 2.85Å
284L55.7Low75.6Confident67 Ų6773.2 Ų73.235%0.35136%0.36SS..Hα-helixtrans-73-36.2-177.1-74.8109.9000112.8W117 A280 F291W117-L284 HydrophobicContact CH2-CD1 3.08Å; W117-L284 HydrophobicContact CH2-CD2 3.95Å; W117-L284 HydrophobicContact CH2-CG 4.13Å; W117-L284 HydrophobicContact CZ2-CD1 3.78Å; W117-L284 HydrophobicContact CZ3-CD1 3.66Å; W117-L284 HydrophobicContact CZ3-CD2 4.42Å; A280-L284 HydrophobicContact CB-CD1 3.46Å; A280-L284 VanDerWaalsContact CB-CD1 3.46Å; A280-L284 WeakPolarHBondContact O-CD1 3.38Å; A280-L284 PolarHBondContact O-N 3.35Å; L284-F291 HydrophobicContact CD2-CD2 3.81Å; L284-F291 HydrophobicContact CD2-CE2 4.15Å; L284-F291 HydrophobicContact CD2-CG 4.28Å; L284-F291 HydrophobicContact CG-CD2 4.43Å
285T55.5Low75.5Confident100 Ų10073.8 Ų73.861%0.61337%0.365SS*.Hα-helixtrans-78.7-30.4-178.3-27.20000112.2F281F281-T285 VanDerWaalsContact O-CB 3.3Å; F281-T285 WeakPolarHBondContact O-CB 3.12Å; F281-T285 PolarHBondContact O-OG1 3.16Å
286K57Low75.5Confident171 Ų17176.2 Ų76.274%0.74338%0.38SS*.Hα-helixtrans-98.6-18.7-179.2-59.1-175.1174.4-179.50114.6N282N282-K286 WeakPolarHBondContact O-CB 2.88Å; N282-K286 WeakPolarHBondContact O-CG 3.26Å; N282-K286 PolarHBondContact O-N 3.42Å
287S63.2Low75.7Confident31 Ų3177.2 Ų77.222%0.21739%0.388CS..  trans-148.181.6-176.8-164.80000113.6A283 W289 V290 F291A283-S287 CarbonylContact O-C 3.59Å; A283-S287 PolarHBondContact O-N 2.85Å; S287-W289 PolarHBondContact O-N 3.25Å; S287-V290 PolarHBondContact O-N 3.49Å; S287-V290 WeakPolarHBondContact OG-CG2 3.26Å; S287-V290 PolarHBondContact OG-N 3.12Å; S287-F291 PolarHBondContact O-N 2.9Å
288K73.5Confident76Confident162 Ų16276.4 Ų76.470%0.70438%0.381SS*.Hα-helixtrans-45.6-28.416160.7-178.3179179.10113G292K288-G292 PolarHBondContact O-N 3.34Å
289W77.1Confident76.2Confident203 Ų20374 Ų7477%0.76938%0.379SS*.Hα-helixtrans-69.4-40.6176.2-58.6111.6000113.3S287 G292 L293S287-W289 PolarHBondContact O-N 3.25Å; W289-G292 PolarHBondContact O-N 3.39Å; W289-L293 WeakPolarHBondContact O-CB 3.08Å; W289-L293 PolarHBondContact O-N 3.08Å
290V75.6Confident76.7Confident66 Ų6676.1 Ų76.140%0.439%0.39SS..Hα-helixtrans-65.6-43.7176.4169.40000110.5S287 L293 L294S287-V290 PolarHBondContact O-N 3.49Å; S287-V290 WeakPolarHBondContact OG-CG2 3.26Å; S287-V290 PolarHBondContact OG-N 3.12Å; V290-L293 PolarHBondContact O-N 3.45Å; V290-L294 HydrophobicContact CG1-CD1 4.43Å; V290-L294 WeakPolarHBondContact O-CG 3.43Å; V290-L294 PolarHBondContact O-N 2.94Å; V290-L294 VanDerWaalsContact O-N 3.14Å
291F79.1Confident78Confident76 Ų7678.4 Ų78.433%0.33340%0.401SS..Hα-helixtrans-63-44.7174.8-174.3-100.5000111.5L120 L284 S287 L293 L294 V295L120-F291 HydrophobicContact CD2-CE2 3.94Å; L120-F291 HydrophobicContact CD2-CZ 4.49Å; L284-F291 HydrophobicContact CD2-CD2 3.81Å; L284-F291 HydrophobicContact CD2-CE2 4.15Å; L284-F291 HydrophobicContact CD2-CG 4.28Å; L284-F291 HydrophobicContact CG-CD2 4.43Å; S287-F291 PolarHBondContact O-N 2.9Å; F291-L293 VanDerWaalsContact C-N 3.29Å; F291-L293 PolarHBondContact O-N 2.65Å; F291-L294 PolarHBondContact O-N 3.49Å; F291-V295 HydrophobicContact CD1-CG2 4.37Å; F291-V295 HydrophobicContact CD2-CG2 4.35Å; F291-V295 HydrophobicContact CE1-CG2 3.92Å; F291-V295 HydrophobicContact CE2-CG2 3.89Å; F291-V295 HydrophobicContact CZ-CG2 3.67Å; F291-V295 PolarHBondContact O-N 3.19Å
292G85.4Confident79.9Confident28 Ų2872.2 Ų72.229%0.28938%0.375SS..Hα-helixtrans-55.7-41.6172.900000112.8K288 W289 L294 V295 L296K288-G292 PolarHBondContact O-N 3.34Å; W289-G292 PolarHBondContact O-N 3.39Å; G292-L294 PolarHBondContact O-N 3.32Å; G292-V295 PolarHBondContact O-N 3.15Å; G292-L296 WeakPolarHBondContact O-CB 3.43Å; G292-L296 PolarHBondContact O-N 3.31Å
293L85.9Confident81.7Confident79 Ų7971 Ų7141%0.41437%0.368SS..Hα-helixtrans-67.2-33.8179.1-17367000113.2F221 W289 V290 F291 P297F221-L293 HydrophobicContact CB-CG 4.3Å; F221-L293 HydrophobicContact CD1-CD1 4.33Å; F221-L293 HydrophobicContact CD1-CD2 4.07Å; F221-L293 HydrophobicContact CD1-CG 4.14Å; F221-L293 HydrophobicContact CD2-CD1 3.7Å; F221-L293 HydrophobicContact CD2-CG 3.82Å; F221-L293 WeakPolarHBondContact CD2-O 3.27Å; F221-L293 HydrophobicContact CE1-CD1 4.18Å; F221-L293 HydrophobicContact CE1-CD2 4.36Å; F221-L293 HydrophobicContact CE1-CG 4.45Å; F221-L293 HydrophobicContact CE2-CD1 3.52Å; F221-L293 HydrophobicContact CE2-CG 4.16Å; F221-L293 HydrophobicContact CG-CD1 4.11Å; F221-L293 HydrophobicContact CG-CD2 4.22Å; F221-L293 HydrophobicContact CG-CG 3.82Å; F221-L293 HydrophobicContact CZ-CD1 3.78Å; F221-L293 HydrophobicContact CZ-CG 4.46Å; W289-L293 WeakPolarHBondContact O-CB 3.08Å; W289-L293 PolarHBondContact O-N 3.08Å; V290-L293 PolarHBondContact O-N 3.45Å; F291-L293 VanDerWaalsContact C-N 3.29Å; F291-L293 PolarHBondContact O-N 2.65Å; L293-P297 WeakPolarHBondContact O-CD 3.41Å; L293-P297 WeakPolarHBondContact O-CG 3.32Å
294L86.7Confident83.7Confident16 Ų1672.1 Ų72.18%0.08437%0.368CS..Hα-helixtrans-75.2-38.6177.3-66171.3000111.6F221 H222 V225 V290 F291 G292 N298F221-L294 HydrophobicContact CB-CD2 4.17Å; F221-L294 WeakPolarHBondContact O-CD2 3.22Å; H222-L294 PolarHBondContact NE2-O 3.32Å; V225-L294 HydrophobicContact CG1-CD1 4.02Å; V225-L294 HydrophobicContact CG1-CD2 4.13Å; V225-L294 HydrophobicContact CG2-CD2 4.12Å; V290-L294 HydrophobicContact CG1-CD1 4.43Å; V290-L294 WeakPolarHBondContact O-CG 3.43Å; V290-L294 PolarHBondContact O-N 2.94Å; V290-L294 VanDerWaalsContact O-N 3.14Å; F291-L294 PolarHBondContact O-N 3.49Å; G292-L294 PolarHBondContact O-N 3.32Å; L294-N298 PolarHBondContact O-ND2 2.95Å
295V91.3Very high85.6Confident32 Ų3269.5 Ų69.519%0.19435%0.354CS..Hα-helixtrans-95.1-47.7-171.5179.90000112.9F291 G292 N298 V299F291-V295 HydrophobicContact CD1-CG2 4.37Å; F291-V295 HydrophobicContact CD2-CG2 4.35Å; F291-V295 HydrophobicContact CE1-CG2 3.92Å; F291-V295 HydrophobicContact CE2-CG2 3.89Å; F291-V295 HydrophobicContact CZ-CG2 3.67Å; F291-V295 PolarHBondContact O-N 3.19Å; G292-V295 PolarHBondContact O-N 3.15Å; V295-N298 PolarHBondContact O-N 3.25Å; V295-V299 HydrophobicContact CG1-CG2 3.76Å; V295-V299 WeakPolarHBondContact O-CG2 3.15Å; V295-V299 PolarHBondContact O-N 3.28Å
296L93.4Very high87.6Confident101 Ų10164.7 Ų64.753%0.52933%0.325SS..Hα-helixtrans-62.6-48.6-168.6-179.765.9000113.5G292 N298 V299 L300G292-L296 WeakPolarHBondContact O-CB 3.43Å; G292-L296 PolarHBondContact O-N 3.31Å; L296-N298 VanDerWaalsContact C-N 3.26Å; L296-N298 PolarHBondContact O-N 3.4Å; L296-V299 PolarHBondContact O-N 3.16Å; L296-L300 HydrophobicContact CD1-CD1 4.07Å; L296-L300 HydrophobicContact CD1-CD2 4.43Å; L296-L300 HydrophobicContact CD1-CG 3.98Å; L296-L300 HydrophobicContact CG-CD1 3.99Å; L296-L300 HydrophobicContact CG-CG 4.31Å; L296-L300 WeakPolarHBondContact O-CB 3.39Å; L296-L300 WeakPolarHBondContact O-CG 3.44Å; L296-L300 PolarHBondContact O-N 3.16Å
297P96.2Very high89.5Confident39 Ų3959.5 Ų59.525%0.25331%0.305SS..Hα-helixtrans-60.7-37.2177.8-2436.3000112.4L220 F221 L293 L301L220-P297 HydrophobicContact CD1-CB 4.31Å; F221-P297 HydrophobicContact CD2-CB 4.5Å; F221-P297 HydrophobicContact CD2-CG 4.05Å; F221-P297 HydrophobicContact CE2-CG 4.04Å; L293-P297 WeakPolarHBondContact O-CD 3.41Å; L293-P297 WeakPolarHBondContact O-CG 3.32Å; P297-L301 VanDerWaalsContact O-CB 3.26Å; P297-L301 WeakPolarHBondContact O-CB 3.45Å; P297-L301 PolarHBondContact O-N 3.18Å
298N97.2Very high91.2Very high1 Ų161.5 Ų61.51%0.00531%0.312CS..Hα-helixtrans-67-45.2176.5-81.1-82.1000111.8S124 W126 L294 V295 L296 L301 A302S124-N298 WeakPolarHBondContact O-CB 3.39Å; S124-N298 PolarHBondContact O-OD1 3.46Å; W126-N298 HydrophobicContact CB-CB 4.06Å; W126-N298 WeakPolarHBondContact CB-O 3.33Å; W126-N298 VanDerWaalsContact CD1-OD1 3.28Å; W126-N298 PolarHBondContact N-OD1 3.43Å; L294-N298 PolarHBondContact O-ND2 2.95Å; V295-N298 PolarHBondContact O-N 3.25Å; L296-N298 VanDerWaalsContact C-N 3.26Å; L296-N298 PolarHBondContact O-N 3.4Å; N298-L301 PolarHBondContact O-N 3.06Å; N298-A302 VanDerWaalsContact O-CB 3.22Å; N298-A302 WeakPolarHBondContact O-CB 3.25Å; N298-A302 PolarHBondContact O-N 3.07Å
299V96Very high92.3Very high64 Ų6455.1 Ų55.139%0.38829%0.285SS..Hα-helixtrans-62.5-46.2178.1171.30000110.8V295 L296 L301 A302 L303V295-V299 HydrophobicContact CG1-CG2 3.76Å; V295-V299 WeakPolarHBondContact O-CG2 3.15Å; V295-V299 PolarHBondContact O-N 3.28Å; L296-V299 PolarHBondContact O-N 3.16Å; V299-L301 PolarHBondContact O-N 3.1Å; V299-A302 PolarHBondContact O-N 2.73Å; V299-L303 HydrophobicContact CG1-CD1 4.03Å; V299-L303 HydrophobicContact CG1-CG 4.47Å; V299-L303 VanDerWaalsContact O-CG 3.31Å; V299-L303 WeakPolarHBondContact O-CG 3.46Å; V299-L303 PolarHBondContact O-N 3.32Å
300L97.2Very high93.2Very high102 Ų10246.1 Ų46.153%0.53425%0.252SS..Hα-helixtrans-61.3-44.5177.9-69.4176.8000111.6L296 L303 F304L296-L300 HydrophobicContact CD1-CD1 4.07Å; L296-L300 HydrophobicContact CD1-CD2 4.43Å; L296-L300 HydrophobicContact CD1-CG 3.98Å; L296-L300 HydrophobicContact CG-CD1 3.99Å; L296-L300 HydrophobicContact CG-CG 4.31Å; L296-L300 WeakPolarHBondContact O-CB 3.39Å; L296-L300 WeakPolarHBondContact O-CG 3.44Å; L296-L300 PolarHBondContact O-N 3.16Å; L300-L303 PolarHBondContact O-N 2.86Å; L300-F304 VanDerWaalsContact O-CB 3.3Å; L300-F304 WeakPolarHBondContact O-CB 3.38Å; L300-F304 PolarHBondContact O-N 3.49Å
301L97.4Very high94.2Very high52 Ų5245.9 Ų45.927%0.27224%0.244SC..Hα-helixtrans-68.1-39.5179.2-172.455.4000111.7W126 L220 P297 N298 V299 F304 T305W126-L301 HydrophobicContact CB-CB 4.22Å; W126-L301 HydrophobicContact CD2-CB 4.31Å; W126-L301 HydrophobicContact CD2-CD2 3.47Å; W126-L301 VanDerWaalsContact CD2-CD2 3.47Å; W126-L301 HydrophobicContact CD2-CG 3.65Å; W126-L301 HydrophobicContact CE3-CD2 4.04Å; W126-L301 HydrophobicContact CE3-CG 3.78Å; W126-L301 HydrophobicContact CG-CB 4.14Å; W126-L301 HydrophobicContact CG-CD2 3.78Å; W126-L301 HydrophobicContact CG-CG 3.99Å; W126-L301 HydrophobicContact CH2-CD2 4.28Å; W126-L301 HydrophobicContact CZ2-CD2 3.78Å; W126-L301 HydrophobicContact CZ2-CG 4.48Å; W126-L301 HydrophobicContact CZ3-CD2 4.41Å; W126-L301 HydrophobicContact CZ3-CG 4.25Å; L220-L301 HydrophobicContact CD1-CD2 4.14Å; P297-L301 VanDerWaalsContact O-CB 3.26Å; P297-L301 WeakPolarHBondContact O-CB 3.45Å; P297-L301 PolarHBondContact O-N 3.18Å; N298-L301 PolarHBondContact O-N 3.06Å; V299-L301 PolarHBondContact O-N 3.1Å; L301-F304 HydrophobicContact CD1-CD1 4.34Å; L301-F304 PolarHBondContact O-N 2.95Å; L301-T305 HydrophobicContact CD1-CG2 3.78Å; L301-T305 HydrophobicContact CG-CG2 4.24Å; L301-T305 WeakPolarHBondContact O-CB 3.44Å; L301-T305 WeakPolarHBondContact O-CG2 3.19Å; L301-T305 PolarHBondContact O-N 3.5Å; L301-T305 PolarHBondContact O-OG1 3.49Å
302A97.7Very high95.1Very high7 Ų742.3 Ų42.36%0.05823%0.228CC..Hα-helixtrans-61.4-43.5175.600000112.3W126 F129 N298 V299 T305 G306W126-A302 HydrophobicContact CB-CB 3.98Å; F129-A302 HydrophobicContact CB-CB 4.25Å; F129-A302 HydrophobicContact CD1-CB 3.79Å; F129-A302 HydrophobicContact CE1-CB 4.49Å; F129-A302 HydrophobicContact CG-CB 4.12Å; N298-A302 VanDerWaalsContact O-CB 3.22Å; N298-A302 WeakPolarHBondContact O-CB 3.25Å; N298-A302 PolarHBondContact O-N 3.07Å; V299-A302 PolarHBondContact O-N 2.73Å; A302-T305 PolarHBondContact O-OG1 2.69Å; A302-G306 WeakPolarHBondContact O-CA 3.43Å; A302-G306 PolarHBondContact O-N 2.87Å
303L97.8Very high95.7Very high65 Ų6541 Ų4134%0.3421%0.214SC..Hα-helixtrans-67.8-42.4176.1-68.9174.7000111.3L25 V299 L300 L307L25-L303 HydrophobicContact CD1-CD2 3.99Å; V299-L303 HydrophobicContact CG1-CD1 4.03Å; V299-L303 HydrophobicContact CG1-CG 4.47Å; V299-L303 VanDerWaalsContact O-CG 3.31Å; V299-L303 WeakPolarHBondContact O-CG 3.46Å; V299-L303 PolarHBondContact O-N 3.32Å; L300-L303 PolarHBondContact O-N 2.86Å; L303-L307 HydrophobicContact CD2-CD1 4.2Å; L303-L307 VanDerWaalsContact O-CB 3.26Å; L303-L307 WeakPolarHBondContact O-CB 3.17Å; L303-L307 PolarHBondContact O-N 3.43Å
304F98.2Very high96.2Very high53 Ų5338.6 Ų38.623%0.23220%0.201CC..Hα-helixtrans-63.4-50.1178.1176.6-102.5000111.9L300 L301 I308 H309 F426L300-F304 VanDerWaalsContact O-CB 3.3Å; L300-F304 WeakPolarHBondContact O-CB 3.38Å; L300-F304 PolarHBondContact O-N 3.49Å; L301-F304 HydrophobicContact CD1-CD1 4.34Å; L301-F304 PolarHBondContact O-N 2.95Å; F304-I308 HydrophobicContact CD2-CB 3.92Å; F304-I308 HydrophobicContact CD2-CD1 4.04Å; F304-I308 HydrophobicContact CD2-CG2 4.07Å; F304-I308 HydrophobicContact CE2-CB 4.07Å; F304-I308 HydrophobicContact CE2-CG2 3.74Å; F304-I308 WeakPolarHBondContact O-CA 3.15Å; F304-I308 WeakPolarHBondContact O-CB 3.14Å; F304-I308 PolarHBondContact O-N 3.44Å; F304-H309 HydrophobicContact CD1-CB 4.21Å; F304-H309 HydrophobicContact CE1-CB 3.72Å; F304-H309 HydrophobicContact CZ-CB 4.05Å; F304-H309 PolarHBondContact O-N 3.3Å; F304-F426 HydrophobicContact CE1-CD2 4.09Å; F304-F426 HydrophobicContact CE1-CE2 4.11Å; F304-F426 HydrophobicContact CE2-CE2 4.34Å; F304-F426 AromaticContact CZ-CD2 3.66Å; F304-F426 HydrophobicContact CZ-CD2 3.66Å; F304-F426 AromaticContact CZ-CE2 3.59Å; F304-F426 HydrophobicContact CZ-CE2 3.59Å
305T97.3Very high96.7Very high11 Ų1140.3 Ų40.37%0.06721%0.21CC..Hα-helixtrans-70.5-36.6-179.457.10000111.4T28 W126 F130 L301 A302T28-T305 WeakPolarHBondContact CB-O 3.42Å; T28-T305 WeakPolarHBondContact CG2-O 3.21Å; T28-T305 PolarHBondContact OG1-O 3.33Å; W126-T305 HydrophobicContact CE3-CG2 4.23Å; W126-T305 HydrophobicContact CH2-CG2 4.48Å; W126-T305 HydrophobicContact CZ3-CG2 3.72Å; F130-T305 WeakPolarHBondContact CD2-OG1 3.41Å; F130-T305 VanDerWaalsContact CE2-O 3.24Å; F130-T305 WeakPolarHBondContact CE2-O 3.44Å; L301-T305 HydrophobicContact CD1-CG2 3.78Å; L301-T305 HydrophobicContact CG-CG2 4.24Å; L301-T305 WeakPolarHBondContact O-CB 3.44Å; L301-T305 WeakPolarHBondContact O-CG2 3.19Å; L301-T305 PolarHBondContact O-N 3.5Å; L301-T305 PolarHBondContact O-OG1 3.49Å; A302-T305 PolarHBondContact O-OG1 2.69Å
306G96.7Very high97Very high0 Ų038.8 Ų38.80%020%0.201CC..Hα-helixtrans-72.6-32.8179.400000114.7L25 Q27 T28 A302L25-G306 CarbonylContact O-C 3.56Å; L25-G306 VanDerWaalsContact O-CA 3.28Å; L25-G306 WeakPolarHBondContact O-CA 3.37Å; Q27-G306 PolarHBondContact N-O 3.43Å; T28-G306 WeakPolarHBondContact CG2-O 3.41Å; T28-G306 PolarHBondContact OG1-O 2.84Å; A302-G306 WeakPolarHBondContact O-CA 3.43Å; A302-G306 PolarHBondContact O-N 2.87Å
307L97.2Very high97.1Very high61 Ų6134.1 Ų34.132%0.31918%0.177SC..Hα-helixtrans-114.3-28.1-171.6-63.2171.6000114.9L25 Q27 L303L25-L307 HydrophobicContact CB-CD2 4.48Å; L25-L307 HydrophobicContact CD2-CD1 4.29Å; L25-L307 HydrophobicContact CD2-CD2 4.36Å; L25-L307 VanDerWaalsContact O-CD2 3.3Å; L25-L307 WeakPolarHBondContact O-CD2 3.45Å; L25-L307 WeakPolarHBondContact O-CG 3.46Å; Q27-L307 HydrophobicContact CG-CD2 4.47Å; L303-L307 HydrophobicContact CD2-CD1 4.2Å; L303-L307 VanDerWaalsContact O-CB 3.26Å; L303-L307 WeakPolarHBondContact O-CB 3.17Å; L303-L307 PolarHBondContact O-N 3.43Å
308I97.6Very high97Very high73 Ų7332.8 Ų32.837%0.37417%0.17SC..THydrogen-bonded Turntrans-117.3-53.4-164.8-57.6174.2000111.7F304 Q310 R311 F422F304-I308 HydrophobicContact CD2-CB 3.92Å; F304-I308 HydrophobicContact CD2-CD1 4.04Å; F304-I308 HydrophobicContact CD2-CG2 4.07Å; F304-I308 HydrophobicContact CE2-CB 4.07Å; F304-I308 HydrophobicContact CE2-CG2 3.74Å; F304-I308 WeakPolarHBondContact O-CA 3.15Å; F304-I308 WeakPolarHBondContact O-CB 3.14Å; F304-I308 PolarHBondContact O-N 3.44Å; I308-Q310 PolarHBondContact O-N 2.66Å; I308-R311 VanDerWaalsContact O-CB 3.28Å; I308-R311 WeakPolarHBondContact O-CB 3.35Å; I308-R311 PolarHBondContact O-N 2.97Å; I308-F422 HydrophobicContact CG2-CE1 3.67Å; I308-F422 HydrophobicContact CG2-CZ 4.03Å; I308-F422 WeakPolarHBondContact O-CE1 3.36Å
309H97.6Very high97Very high28 Ų2834.3 Ų34.313%0.1318%0.177CC..THydrogen-bonded Turntrans-67.7126.7-174.6-173.760.8000111.6T28 F304 R311 T424T28-H309 WeakPolarHBondContact CB-O 3.19Å; T28-H309 WeakPolarHBondContact CG2-O 3.49Å; F304-H309 HydrophobicContact CD1-CB 4.21Å; F304-H309 HydrophobicContact CE1-CB 3.72Å; F304-H309 HydrophobicContact CZ-CB 4.05Å; F304-H309 PolarHBondContact O-N 3.3Å; H309-R311 PolarHBondContact O-N 3.36Å; H309-T424 PolarHBondContact CE1-OG1 3.45Å; H309-T424 VanDerWaalsContact CE1-OG1 3.26Å; H309-T424 PolarHBondContact ND1-OG1 3.46Å
310Q96.5Very high97Very high14 Ų1431.2 Ų31.27%0.06516%0.158CC..THydrogen-bonded Turntrans56.434.9-178.6-60.3176.5-1100113.4W29 I308 N423W29-Q310 HydrophobicContact CB-CB 4.09Å; W29-Q310 VanDerWaalsContact CD1-OE1 3.25Å; W29-Q310 PolarHBondContact N-O 2.7Å; W29-Q310 VanDerWaalsContact N-O 3.17Å; W29-Q310 PolarHBondContact O-OE1 2.89Å; I308-Q310 PolarHBondContact O-N 2.66Å; Q310-N423 CarbonylContact C-O 3.58Å; Q310-N423 WeakPolarHBondContact CA-O 3.42Å; Q310-N423 WeakPolarHBondContact CA-OD1 3.49Å; Q310-N423 PolarHBondContact N-O 2.91Å
311R96.9Very high96.9Very high62 Ų6227.8 Ų27.823%0.23414%0.14CC..Hα-helixtrans-70.2-38.5-179.817762.8-166.8-15018.6112.8Q27 T28 I308 H309 V313 M314 D315 N423Q27-R311 WeakPolarHBondContact O-CD 3.45Å; T28-R311 HydrophobicContact CG2-CB 4.1Å; I308-R311 VanDerWaalsContact O-CB 3.28Å; I308-R311 WeakPolarHBondContact O-CB 3.35Å; I308-R311 PolarHBondContact O-N 2.97Å; H309-R311 PolarHBondContact O-N 3.36Å; R311-V313 PolarHBondContact O-N 3.24Å; R311-V313 VanDerWaalsContact O-N 3.17Å; R311-M314 PolarHBondContact O-N 2.9Å; R311-D315 WeakPolarHBondContact CG-OD2 3.41Å; R311-D315 IonicContact CZ-OD1 2.64Å; R311-D315 VanDerWaalsContact CZ-OD1 3.3Å; R311-D315 IonicContact NE-OD1 3.49Å; R311-D315 PolarHBondContact NE-OD1 2.82Å; R311-D315 IonicContact NE-OD2 3.62Å; R311-D315 PolarHBondContact NE-OD2 3.14Å; R311-D315 IonicContact NH2-OD1 3.35Å; R311-D315 PolarHBondContact NH2-OD1 3.44Å; R311-D315 PolarHBondContact O-N 2.92Å; R311-N423 PolarHBondContact N-O 3.46Å
312G97.6Very high96.8Very high0 Ų032.3 Ų32.30%016%0.158CC..Hα-helixtrans-59.3-30.3-174.400000113.7M314 D315 V316 F422G312-M314 VanDerWaalsContact C-N 3.33Å; G312-M314 PolarHBondContact O-N 2.93Å; G312-D315 PolarHBondContact O-N 3.36Å; G312-V316 WeakPolarHBondContact O-CB 3.43Å; G312-V316 VanDerWaalsContact O-CG1 3.27Å; G312-V316 WeakPolarHBondContact O-CG1 3.37Å; G312-V316 PolarHBondContact O-N 3.47Å; G312-F422 WeakPolarHBondContact CA-O 3.39Å; G312-F422 PolarHBondContact N-O 3.1Å
313V97Very high96.6Very high1 Ų133.7 Ų33.71%0.00616%0.163CC..Hα-helixtrans-59.7-42.4175171.80000111.7W29 R311 V316 T317 S339 T340 I436W29-V313 HydrophobicContact CB-CB 3.73Å; W29-V313 HydrophobicContact CB-CG1 3.72Å; W29-V313 HydrophobicContact CB-CG2 4.19Å; W29-V313 HydrophobicContact CD2-CG1 3.79Å; W29-V313 HydrophobicContact CE3-CG1 3.66Å; W29-V313 HydrophobicContact CG-CB 4.19Å; W29-V313 HydrophobicContact CG-CG1 3.82Å; W29-V313 HydrophobicContact CG-CG2 4.34Å; W29-V313 HydrophobicContact CZ3-CG1 4.47Å; R311-V313 PolarHBondContact O-N 3.24Å; R311-V313 VanDerWaalsContact O-N 3.17Å; V313-V316 WeakPolarHBondContact O-CG1 3.19Å; V313-T317 PolarHBondContact O-N 3.05Å; V313-T317 PolarHBondContact O-OG1 2.78Å; V313-S339 VanDerWaalsContact CG1-O 3.3Å; V313-S339 WeakPolarHBondContact CG1-O 3.42Å; V313-T340 HydrophobicContact CG1-CG2 4.19Å; V313-I436 HydrophobicContact CG2-CD1 3.83Å
314M95.8Very high96.5Very high29 Ų2931 Ų3114%0.14315%0.151CC..Hα-helixtrans-76.3-40.5179-61.4-52-65.800111.2R311 G312 T317 G318 P341R311-M314 PolarHBondContact O-N 2.9Å; G312-M314 VanDerWaalsContact C-N 3.33Å; G312-M314 PolarHBondContact O-N 2.93Å; M314-T317 PolarHBondContact O-N 3.28Å; M314-G318 PolarHBondContact O-N 2.82Å; M314-P341 HydrophobicContact CE-CG 4.28Å; M314-P341 HydrophobicContact SD-CG 3.82Å
315D97.2Very high96.2Very high51 Ų5133.6 Ų33.627%0.27316%0.163SC..Hα-helixtrans-67.2-40.4-178.8-69.1-17.1000112.4R311 G312 T317 G318 F319 F421R311-D315 WeakPolarHBondContact CG-OD2 3.41Å; R311-D315 IonicContact CZ-OD1 2.64Å; R311-D315 VanDerWaalsContact CZ-OD1 3.3Å; R311-D315 IonicContact NE-OD1 3.49Å; R311-D315 PolarHBondContact NE-OD1 2.82Å; R311-D315 IonicContact NE-OD2 3.62Å; R311-D315 PolarHBondContact NE-OD2 3.14Å; R311-D315 IonicContact NH2-OD1 3.35Å; R311-D315 PolarHBondContact NH2-OD1 3.44Å; R311-D315 PolarHBondContact O-N 2.92Å; G312-D315 PolarHBondContact O-N 3.36Å; D315-T317 VanDerWaalsContact C-N 3.33Å; D315-T317 PolarHBondContact O-N 2.84Å; D315-G318 PolarHBondContact O-N 3.26Å; D315-F319 PolarHBondContact O-N 3.36Å; D315-F421 HydrophobicContact CB-CD1 3.68Å; D315-F421 HydrophobicContact CB-CE1 4.18Å; D315-F421 HydrophobicContact CB-CG 4.39Å
316V97.9Very high95.8Very high0 Ų038.1 Ų38.10%019%0.191CC..Hα-helixtrans-64.6-40.317673.10000111.2G312 V313 F319 L320 V397 F421 I436 V438G312-V316 WeakPolarHBondContact O-CB 3.43Å; G312-V316 VanDerWaalsContact O-CG1 3.27Å; G312-V316 WeakPolarHBondContact O-CG1 3.37Å; G312-V316 PolarHBondContact O-N 3.47Å; V313-V316 WeakPolarHBondContact O-CG1 3.19Å; V316-F319 WeakPolarHBondContact O-CB 3.5Å; V316-F319 PolarHBondContact O-N 3.21Å; V316-L320 HydrophobicContact CG2-CD1 4.06Å; V316-L320 VanDerWaalsContact O-CG 3.29Å; V316-L320 WeakPolarHBondContact O-CG 3.46Å; V316-L320 PolarHBondContact O-N 3.04Å; V316-V397 HydrophobicContact CG1-CG1 4.36Å; V316-V397 HydrophobicContact CG2-CG1 3.77Å; V316-V397 HydrophobicContact CG2-CG2 4.41Å; V316-F421 HydrophobicContact CB-CD2 3.93Å; V316-F421 HydrophobicContact CB-CE2 4.17Å; V316-F421 HydrophobicContact CB-CG 4.46Å; V316-F421 HydrophobicContact CG2-CD2 4.05Å; V316-F421 HydrophobicContact CG2-CE2 4.02Å; V316-I436 HydrophobicContact CB-CG2 4.29Å; V316-I436 HydrophobicContact CG1-CG2 4.28Å; V316-I436 HydrophobicContact CG2-CG2 4.19Å; V316-V438 HydrophobicContact CG2-CG2 3.39Å
317T96Very high95.4Very high3 Ų344.3 Ų44.32%0.01822%0.215CC..Hα-helixtrans-65.8-42178-53.70000111.1V313 M314 D315 F319 L320 N321 P341 H345 V346V313-T317 PolarHBondContact O-N 3.05Å; V313-T317 PolarHBondContact O-OG1 2.78Å; M314-T317 PolarHBondContact O-N 3.28Å; D315-T317 VanDerWaalsContact C-N 3.33Å; D315-T317 PolarHBondContact O-N 2.84Å; T317-F319 VanDerWaalsContact C-N 3.33Å; T317-F319 PolarHBondContact O-N 3.14Å; T317-L320 PolarHBondContact O-N 3.04Å; T317-N321 WeakPolarHBondContact O-CB 3.28Å; T317-N321 PolarHBondContact O-N 3.08Å; T317-P341 HydrophobicContact CG2-CB 4.27Å; T317-H345 HydrophobicContact CG2-CB 3.41Å; T317-H345 VanDerWaalsContact CG2-CB 3.41Å; T317-V346 HydrophobicContact CG2-CG2 4.21Å
318G94.9Very high95Very high11 Ų1145 Ų4511%0.11324%0.236CC..Hα-helixtrans-64.4-34.8174.300000113.4M314 D315 K322M314-G318 PolarHBondContact O-N 2.82Å; D315-G318 PolarHBondContact O-N 3.26Å; G318-K322 PolarHBondContact O-N 2.86Å
319F96.4Very high94.8Very high33 Ų3342 Ų4215%0.14522%0.221CC..Hα-helixtrans-64.9-46.8171.6170.3-97.7000111.7D315 V316 T317 K322 Q323 I418 R419 F421 V438D315-F319 PolarHBondContact O-N 3.36Å; V316-F319 WeakPolarHBondContact O-CB 3.5Å; V316-F319 PolarHBondContact O-N 3.21Å; T317-F319 VanDerWaalsContact C-N 3.33Å; T317-F319 PolarHBondContact O-N 3.14Å; F319-K322 PolarHBondContact O-N 2.91Å; F319-Q323 HydrophobicContact CD1-CG 4.38Å; F319-Q323 HydrophobicContact CE1-CG 3.82Å; F319-Q323 HydrophobicContact CE2-CG 4.25Å; F319-Q323 HydrophobicContact CZ-CG 3.74Å; F319-Q323 PolarHBondContact O-N 2.86Å; F319-Q323 VanDerWaalsContact O-N 3.17Å; F319-I418 HydrophobicContact CE1-CD1 3.97Å; F319-I418 HydrophobicContact CZ-CD1 3.83Å; F319-R419 HydrophobicContact CD2-CG 4.39Å; F319-R419 HydrophobicContact CE2-CG 3.91Å; F319-R419 HydrophobicContact CZ-CG 3.99Å; F319-F421 HydrophobicContact CB-CE1 4.36Å; F319-F421 HydrophobicContact CB-CE2 4.36Å; F319-F421 HydrophobicContact CB-CZ 3.63Å; F319-F421 HydrophobicContact CD1-CE2 4.48Å; F319-F421 HydrophobicContact CD1-CZ 4.34Å; F319-F421 HydrophobicContact CD2-CZ 4.32Å; F319-F421 HydrophobicContact CG-CE2 4.42Å; F319-F421 AromaticContact CG-CZ 3.84Å; F319-F421 HydrophobicContact CG-CZ 3.84Å; F319-V438 HydrophobicContact CE1-CG1 4.14Å
320L96.5Very high94.7Very high0 Ų042.2 Ų42.20%022%0.222CC..Hα-helixtrans-69.4-34.1-178.4-69.2167.3000112.9V316 T317 K322 Q323 A324 I331 Y333 H395 V397V316-L320 HydrophobicContact CG2-CD1 4.06Å; V316-L320 VanDerWaalsContact O-CG 3.29Å; V316-L320 WeakPolarHBondContact O-CG 3.46Å; V316-L320 PolarHBondContact O-N 3.04Å; T317-L320 PolarHBondContact O-N 3.04Å; L320-K322 VanDerWaalsContact C-N 3.33Å; L320-K322 PolarHBondContact O-N 2.95Å; L320-Q323 PolarHBondContact O-N 3.35Å; L320-A324 VanDerWaalsContact O-CB 3.29Å; L320-A324 WeakPolarHBondContact O-CB 3.18Å; L320-A324 PolarHBondContact O-N 3.05Å; L320-I331 HydrophobicContact CB-CD1 4.1Å; L320-I331 HydrophobicContact CD1-CG2 4.04Å; L320-I331 HydrophobicContact CD2-CD1 4.07Å; L320-I331 HydrophobicContact CD2-CG1 4.3Å; L320-I331 HydrophobicContact CD2-CG2 4.38Å; L320-I331 HydrophobicContact CG-CD1 4.46Å; L320-Y333 HydrophobicContact CD1-CE1 3.87Å; L320-Y333 WeakPolarHBondContact CD1-OH 3.26Å; L320-H395 HydrophobicContact CD2-CB 4.4Å; L320-V397 HydrophobicContact CD1-CG2 3.52Å
321N94.9Very high94.8Very high29 Ų2941.6 Ų41.616%0.15522%0.219CC..Hα-helixtrans-51.7-52.9168.7168.1-97.3000110.4T317 Q323 A324 Q325 H345 V346T317-N321 WeakPolarHBondContact O-CB 3.28Å; T317-N321 PolarHBondContact O-N 3.08Å; N321-Q323 VanDerWaalsContact C-N 3.34Å; N321-Q323 PolarHBondContact O-N 2.95Å; N321-A324 PolarHBondContact O-N 3.21Å; N321-Q325 WeakPolarHBondContact O-CG 3.34Å; N321-Q325 PolarHBondContact O-N 3.45Å; N321-H345 PolarHBondContact ND2-O 3.37Å; N321-V346 PolarHBondContact ND2-O 3.2Å
322K94.7Very high94.8Very high148 Ų14839 Ų3964%0.64321%0.21SC*.Hα-helixtrans-62.2-38.6179.8-65.8175.9-176.6177.50113G318 F319 L320 T326G318-K322 PolarHBondContact O-N 2.86Å; F319-K322 PolarHBondContact O-N 2.91Å; L320-K322 VanDerWaalsContact C-N 3.33Å; L320-K322 PolarHBondContact O-N 2.95Å; K322-T326 PolarHBondContact O-OG1 3.12Å
323Q94.8Very high94.8Very high35 Ų3539.1 Ų39.116%0.16421%0.21CC..Hα-helixtrans-65-44.3175.2-66.5-59.2-35.300111.4F319 L320 N321 Q325 T326 R327 V329F319-Q323 HydrophobicContact CD1-CG 4.38Å; F319-Q323 HydrophobicContact CE1-CG 3.82Å; F319-Q323 HydrophobicContact CE2-CG 4.25Å; F319-Q323 HydrophobicContact CZ-CG 3.74Å; F319-Q323 PolarHBondContact O-N 2.86Å; F319-Q323 VanDerWaalsContact O-N 3.17Å; L320-Q323 PolarHBondContact O-N 3.35Å; N321-Q323 VanDerWaalsContact C-N 3.34Å; N321-Q323 PolarHBondContact O-N 2.95Å; Q323-Q325 VanDerWaalsContact C-N 3.34Å; Q323-Q325 PolarHBondContact O-N 2.68Å; Q323-T326 PolarHBondContact O-N 3.26Å; Q323-T326 PolarHBondContact O-OG1 3.49Å; Q323-R327 PolarHBondContact O-N 3.23Å; Q323-V329 HydrophobicContact CB-CG1 4.43Å
324A94.8Very high94.9Very high10 Ų1039.3 Ų39.38%0.08321%0.211CC..Hα-helixtrans-69.1-28.7-177.800000113.9L320 N321 T326 V329 V346 A348 V350L320-A324 VanDerWaalsContact O-CB 3.29Å; L320-A324 WeakPolarHBondContact O-CB 3.18Å; L320-A324 PolarHBondContact O-N 3.05Å; N321-A324 PolarHBondContact O-N 3.21Å; A324-T326 VanDerWaalsContact C-N 3.3Å; A324-V329 HydrophobicContact CB-CG2 3.85Å; A324-V346 HydrophobicContact CB-CG1 3.71Å; A324-A348 HydrophobicContact CB-CB 3.7Å; A324-V350 HydrophobicContact CB-CG1 4Å; A324-V350 HydrophobicContact CB-CG2 3.91Å
325Q91.5Very high94.9Very high107 Ų10738 Ų3850%0.521%0.205SC..Hα-helixtrans-72.6-23173.5-63.7-54.3-39.100113.3N321 Q323 H347N321-Q325 WeakPolarHBondContact O-CG 3.34Å; N321-Q325 PolarHBondContact O-N 3.45Å; Q323-Q325 VanDerWaalsContact C-N 3.34Å; Q323-Q325 PolarHBondContact O-N 2.68Å; Q325-H347 PolarHBondContact NE2-O 3.28Å
326T89.5Confident94.8Very high106 Ų10636.8 Ų36.865%0.6520%0.199SC*.Hα-helixtrans-109.3-20.7-171.154.60000113.7K322 Q323 A324K322-T326 PolarHBondContact O-OG1 3.12Å; Q323-T326 PolarHBondContact O-N 3.26Å; Q323-T326 PolarHBondContact O-OG1 3.49Å; A324-T326 VanDerWaalsContact C-N 3.3Å
327R87.3Confident94.6Very high130 Ų13038.2 Ų38.249%0.49121%0.209SC..SBendtrans-139.3149.5-172.9-61.2177.4-176.9-174.20.2110.7Q323 V329 E440Q323-R327 PolarHBondContact O-N 3.23Å; R327-V329 VanDerWaalsContact C-N 3.29Å; R327-V329 HydrophobicContact CB-CG1 3.83Å; R327-V329 PolarHBondContact O-N 3.36Å; R327-E440 IonicContact NH1-OE1 3.2Å; R327-E440 PolarHBondContact NH1-OE1 3.28Å
328G88.7Confident94.5Very high75 Ų7539 Ų3977%0.77321%0.213SC*.  trans-7383167.200000110.7
329V93.9Very high94.5Very high10 Ų1039.1 Ų39.16%0.06121%0.211CC..  trans-94.8152.2179.8-59.60000111.8Q323 A324 R327 I331 V350 T394Q323-V329 HydrophobicContact CB-CG1 4.43Å; A324-V329 HydrophobicContact CB-CG2 3.85Å; R327-V329 VanDerWaalsContact C-N 3.29Å; R327-V329 HydrophobicContact CB-CG1 3.83Å; R327-V329 PolarHBondContact O-N 3.36Å; V329-I331 HydrophobicContact CB-CG1 4.45Å; V329-I331 HydrophobicContact CG2-CD1 3.94Å; V329-I331 HydrophobicContact CG2-CG1 3.97Å; V329-V350 HydrophobicContact CG2-CB 4.27Å; V329-V350 HydrophobicContact CG2-CG1 4.07Å; V329-V350 HydrophobicContact CG2-CG2 4.34Å; V329-V350 WeakPolarHBondContact O-CB 3.49Å; V329-T394 WeakPolarHBondContact CA-OG1 3.37Å; V329-T394 WeakPolarHBondContact CB-OG1 3.33Å
330E96Very high94.4Very high33 Ų3337.6 Ų37.615%0.15421%0.205CC..EExtended strand (participates in β ladder)trans-118.6128.6161.6179.9-180166.400108.2W332 Q351 R391 P393 T394 H395E330-W332 PolarHBondContact OE1-NE1 3.04Å; E330-Q351 VanDerWaalsContact CA-O 3.32Å; E330-Q351 WeakPolarHBondContact CA-O 3.37Å; E330-Q351 HydrophobicContact CB-CB 4.38Å; E330-Q351 HydrophobicContact CG-CB 3.93Å; E330-R391 IonicContact OE2-NE 3.98Å; E330-P393 HydrophobicContact CB-CB 4.46Å; E330-P393 HydrophobicContact CG-CB 4.02Å; E330-T394 PolarHBondContact N-OG1 3.23Å; E330-T394 PolarHBondContact O-N 3.31Å; E330-T394 PolarHBondContact O-OG1 3.36Å; E330-H395 PolarHBondContact O-N 2.82Å
331I97.6Very high94.3Very high0 Ų037.6 Ų37.60%021%0.205CC..EExtended strand (participates in β ladder)trans-120.2123.9-170.7-56165.4000109.9L320 V329 Y333 V346 V350 Q351 M352 R353 H395 V397L320-I331 HydrophobicContact CB-CD1 4.1Å; L320-I331 HydrophobicContact CD1-CG2 4.04Å; L320-I331 HydrophobicContact CD2-CD1 4.07Å; L320-I331 HydrophobicContact CD2-CG1 4.3Å; L320-I331 HydrophobicContact CD2-CG2 4.38Å; L320-I331 HydrophobicContact CG-CD1 4.46Å; V329-I331 HydrophobicContact CB-CG1 4.45Å; V329-I331 HydrophobicContact CG2-CD1 3.94Å; V329-I331 HydrophobicContact CG2-CG1 3.97Å; I331-Y333 HydrophobicContact CB-CE2 4.47Å; I331-Y333 HydrophobicContact CG2-CD2 4.07Å; I331-Y333 HydrophobicContact CG2-CE1 4.49Å; I331-Y333 HydrophobicContact CG2-CE2 3.6Å; I331-V346 HydrophobicContact CD1-CG1 4.43Å; I331-V350 HydrophobicContact CD1-CG2 4.43Å; I331-Q351 PolarHBondContact N-O 3.35Å; I331-M352 HydrophobicContact CB-CG 4.11Å; I331-M352 HydrophobicContact CB-SD 4.48Å; I331-M352 HydrophobicContact CD1-CG 4.31Å; I331-M352 HydrophobicContact CD1-SD 4.01Å; I331-M352 CarbonylContact O-C 3.56Å; I331-M352 VanDerWaalsContact O-CA 3.24Å; I331-M352 WeakPolarHBondContact O-CA 3.25Å; I331-R353 PolarHBondContact O-N 2.97Å; I331-H395 WeakPolarHBondContact CA-O 3.33Å; I331-H395 HydrophobicContact CG1-CB 4.26Å; I331-V397 HydrophobicContact CG2-CG2 4.06Å
332W98Very high94.4Very high9 Ų936.4 Ų36.43%0.03420%0.198CC..EExtended strand (participates in β ladder)trans-110.2123.8170.6-73.920.5000110.7E330 R353 L382 E385 L386 A389 P393 H395 I396 V397E330-W332 PolarHBondContact OE1-NE1 3.04Å; W332-R353 CarbonylContact C-O 3.04Å; W332-R353 WeakPolarHBondContact CA-O 3.46Å; W332-R353 HydrophobicContact CG-CB 4.18Å; W332-L382 HydrophobicContact CZ3-CD1 4.47Å; W332-E385 HydrophobicContact CZ3-CB 4.35Å; W332-L386 HydrophobicContact CE3-CD2 4.44Å; W332-L386 HydrophobicContact CH2-CD2 3.95Å; W332-L386 HydrophobicContact CZ3-CD2 3.72Å; W332-L386 HydrophobicContact CZ3-CG 4.41Å; W332-A389 HydrophobicContact CH2-CB 3.98Å; W332-A389 HydrophobicContact CZ2-CB 4.04Å; W332-P393 HydrophobicContact CB-CB 4.28Å; W332-P393 HydrophobicContact CB-CG 4.23Å; W332-P393 VanDerWaalsContact CD1-CB 3.49Å; W332-P393 HydrophobicContact CD2-CB 4.01Å; W332-P393 HydrophobicContact CD2-CG 3.59Å; W332-P393 HydrophobicContact CE3-CG 3.99Å; W332-P393 HydrophobicContact CG-CB 3.69Å; W332-P393 HydrophobicContact CG-CG 3.7Å; W332-P393 HydrophobicContact CZ2-CG 4.44Å; W332-H395 PolarHBondContact N-O 3.09Å; W332-I396 HydrophobicContact CB-CG1 4.49Å; W332-I396 WeakPolarHBondContact O-CA 3.31Å; W332-V397 PolarHBondContact O-N 3.13Å
333Y98.1Very high94.4Very high2 Ų230.6 Ų30.61%0.00817%0.172CC..EExtended strand (participates in β ladder)trans-93.599.5172.1-64-90.1000109.6L320 I331 M335 T340 F342 M352 R353 F354 L355 V397L320-Y333 HydrophobicContact CD1-CE1 3.87Å; L320-Y333 WeakPolarHBondContact CD1-OH 3.26Å; I331-Y333 HydrophobicContact CB-CE2 4.47Å; I331-Y333 HydrophobicContact CG2-CD2 4.07Å; I331-Y333 HydrophobicContact CG2-CE1 4.49Å; I331-Y333 HydrophobicContact CG2-CE2 3.6Å; Y333-M335 HydrophobicContact CD1-SD 4.49Å; Y333-M335 PolarHBondContact O-N 3.33Å; Y333-T340 HydrophobicContact CD1-CG2 3.86Å; Y333-T340 WeakPolarHBondContact CD1-OG1 3.37Å; Y333-T340 HydrophobicContact CE1-CG2 4.07Å; Y333-F342 HydrophobicContact CD2-CD2 4.25Å; Y333-F342 AromaticContact CD2-CE2 3.96Å; Y333-F342 HydrophobicContact CD2-CE2 3.96Å; Y333-F342 AromaticContact CE2-CD2 3.96Å; Y333-F342 HydrophobicContact CE2-CD2 3.96Å; Y333-F342 AromaticContact CE2-CE2 3.92Å; Y333-F342 HydrophobicContact CE2-CE2 3.92Å; Y333-M352 HydrophobicContact CE2-SD 4.05Å; Y333-R353 PolarHBondContact N-O 2.85Å; Y333-F354 WeakPolarHBondContact O-CA 3.45Å; Y333-L355 PolarHBondContact O-N 3.43Å; Y333-V397 HydrophobicContact CD1-CB 3.75Å; Y333-V397 HydrophobicContact CD1-CG1 4.05Å; Y333-V397 HydrophobicContact CD1-CG2 3.87Å; Y333-V397 HydrophobicContact CE1-CB 4.19Å; Y333-V397 HydrophobicContact CE1-CG1 4.34Å; Y333-V397 HydrophobicContact CE1-CG2 3.85Å; Y333-V397 HydrophobicContact CG-CB 4.46Å
334L97.8Very high94.4Very high4 Ų428.9 Ų28.92%0.02117%0.165CC..EExtended strand (participates in β ladder)trans-90.257173.9-58.2-175.4000110L355 F374 W381 L382 I396 V397 I398L334-L355 HydrophobicContact CD2-CD2 4.12Å; L334-F374 HydrophobicContact CB-CE1 4.12Å; L334-F374 HydrophobicContact CB-CE2 4.44Å; L334-F374 HydrophobicContact CB-CZ 3.77Å; L334-F374 HydrophobicContact CD1-CE2 4.24Å; L334-F374 HydrophobicContact CD1-CZ 4.2Å; L334-F374 HydrophobicContact CG-CZ 4.42Å; L334-W381 HydrophobicContact CD2-CH2 4.35Å; L334-W381 HydrophobicContact CD2-CZ3 3.89Å; L334-L382 HydrophobicContact CD1-CD1 3.77Å; L334-L382 HydrophobicContact CD1-CD2 4.21Å; L334-I396 HydrophobicContact CB-CG2 4.49Å; L334-I396 HydrophobicContact CD1-CG2 3.59Å; L334-I396 HydrophobicContact CG-CG2 3.92Å; L334-V397 PolarHBondContact N-O 2.76Å; L334-I398 HydrophobicContact CB-CB 4.34Å; L334-I398 HydrophobicContact CB-CD1 4.1Å; L334-I398 HydrophobicContact CB-CG1 4.28Å; L334-I398 HydrophobicContact CD1-CD1 4.37Å
335M96.5Very high94.4Very high2 Ų228.6 Ų28.61%0.0116%0.162CC..SBendtrans-128161.5-178.8-61.1175.969.600108.3Y333 S339 T340 L355 V397 Y399 I436Y333-M335 HydrophobicContact CD1-SD 4.49Å; Y333-M335 PolarHBondContact O-N 3.33Å; M335-S339 VanDerWaalsContact CB-OG 3.29Å; M335-S339 WeakPolarHBondContact CB-OG 3.43Å; M335-T340 HydrophobicContact CE-CG2 4.03Å; M335-T340 HydrophobicContact SD-CG2 3.72Å; M335-L355 WeakPolarHBondContact O-CD1 3.47Å; M335-V397 HydrophobicContact SD-CG1 3.69Å; M335-Y399 HydrophobicContact CB-CE2 4.38Å; M335-Y399 HydrophobicContact CE-CD1 4.21Å; M335-Y399 HydrophobicContact CE-CD2 4.09Å; M335-Y399 HydrophobicContact CE-CE1 3.64Å; M335-Y399 HydrophobicContact CE-CE2 3.54Å; M335-Y399 HydrophobicContact CE-CG 4.41Å; M335-Y399 WeakPolarHBondContact CE-OH 3.48Å; M335-Y399 HydrophobicContact CG-CD2 4.32Å; M335-Y399 HydrophobicContact CG-CE2 4.45Å; M335-I436 HydrophobicContact CE-CD1 3.7Å; M335-I436 HydrophobicContact CE-CG1 3.95Å; M335-I436 HydrophobicContact SD-CG2 4.43Å
336P94.9Very high94.5Very high25 Ų2523.5 Ų23.516%0.16214%0.138CC..SBendtrans-47148.1174.3-28.336.5000112.3H338 S339 Y399 R431P336-H338 PolarHBondContact O-N 2.8Å; P336-S339 WeakPolarHBondContact O-CB 3.45Å; P336-S339 PolarHBondContact O-N 3.39Å; P336-S339 PolarHBondContact O-OG 2.94Å; P336-Y399 HydrophobicContact CG-CE2 4.34Å; P336-R431 HydrophobicContact CG-CB 3.85Å
337C93.1Very high94.7Very high30 Ų3019.3 Ų19.320%0.20311%0.111CC..THydrogen-bonded Turntrans-54.1142.1-175.969.20000112.2S339 L355 C357C337-S339 PolarHBondContact O-N 3.45Å; C337-L355 WeakPolarHBondContact CA-O 3.28Å; C337-L355 WeakPolarHBondContact CB-O 3.31Å; C337-C357 HydrophobicContact CB-CB 3.57Å; C337-C357 WeakPolarHBondContact CB-SG 3.5Å; C337-C357 WeakPolarHBondContact SG-CB 3.49Å; C337-C357 CovalentContact SG-SG 2.03Å; C337-C357 PolarHBondContact SG-SG 3.43Å
338H94.2Very high95Very high21 Ų2113.2 Ų13.210%0.0979%0.088CC..THydrogen-bonded Turntrans5520.6177.5-49.3-59000115.7W29 P32 W36 P336 T340 F354W29-H338 WeakPolarHBondContact CH2-O 3.18Å; W29-H338 WeakPolarHBondContact CZ2-O 3.49Å; P32-H338 HydrophobicContact CB-CB 3.71Å; P32-H338 HydrophobicContact CG-CB 4.02Å; W36-H338 HydrophobicContact CD2-CB 4.08Å; W36-H338 AromaticContact CD2-CG 3.95Å; W36-H338 AromaticContact CD2-ND1 3.18Å; W36-H338 AromaticContact CE2-ND1 3.47Å; W36-H338 AromaticContact CE3-CE1 3.78Å; W36-H338 AromaticContact CE3-ND1 3.23Å; W36-H338 HydrophobicContact CG-CB 4Å; W36-H338 AromaticContact CG-ND1 3.75Å; W36-H338 AromaticContact CH2-ND1 3.83Å; W36-H338 HydrophobicContact CZ2-CB 4.47Å; W36-H338 AromaticContact CZ2-ND1 3.79Å; W36-H338 AromaticContact CZ3-ND1 3.56Å; W36-H338 PolarHBondContact NE1-O 2.68Å; P336-H338 PolarHBondContact O-N 2.8Å; H338-T340 VanDerWaalsContact C-N 3.31Å; H338-T340 PolarHBondContact O-N 2.76Å; H338-F354 AromaticContact CE1-CE2 3.61Å; H338-F354 AromaticContact CE1-CZ 3.66Å; H338-F354 AromaticContact ND1-CE2 3.64Å; H338-F354 AromaticContact ND1-CZ 3.88Å
339S94.2Very high95.3Very high12 Ų1214.8 Ų14.88%0.0849%0.085CC..  trans-81.1-5.3-177.859.40000114.9V313 M335 P336 C337V313-S339 VanDerWaalsContact CG1-O 3.3Å; V313-S339 WeakPolarHBondContact CG1-O 3.42Å; M335-S339 VanDerWaalsContact CB-OG 3.29Å; M335-S339 WeakPolarHBondContact CB-OG 3.43Å; P336-S339 WeakPolarHBondContact O-CB 3.45Å; P336-S339 PolarHBondContact O-N 3.39Å; P336-S339 PolarHBondContact O-OG 2.94Å; C337-S339 PolarHBondContact O-N 3.45Å
340T95.4Very high95.3Very high2 Ų215.2 Ų15.21%0.0129%0.087CC..SBendtrans-131.1150.4177.657.80000110.3W36 V313 Y333 M335 H338W36-T340 WeakPolarHBondContact CZ2-O 3.44Å; W36-T340 PolarHBondContact NE1-O 3.35Å; V313-T340 HydrophobicContact CG1-CG2 4.19Å; Y333-T340 HydrophobicContact CD1-CG2 3.86Å; Y333-T340 WeakPolarHBondContact CD1-OG1 3.37Å; Y333-T340 HydrophobicContact CE1-CG2 4.07Å; M335-T340 HydrophobicContact CE-CG2 4.03Å; M335-T340 HydrophobicContact SD-CG2 3.72Å; H338-T340 VanDerWaalsContact C-N 3.31Å; H338-T340 PolarHBondContact O-N 2.76Å
341P95Very high95.3Very high0 Ų020.2 Ų20.20%011%0.11CC..  trans-62.3151.7160.9-1428000109.7W29 Y35 M314 T317 H345W29-P341 HydrophobicContact CE3-CG 3.99Å; W29-P341 VanDerWaalsContact CZ3-CD 3.46Å; W29-P341 HydrophobicContact CZ3-CG 3.78Å; Y35-P341 HydrophobicContact CD1-CB 3.9Å; Y35-P341 HydrophobicContact CD1-CG 4.06Å; Y35-P341 HydrophobicContact CD2-CG 4.31Å; Y35-P341 HydrophobicContact CE1-CB 4.25Å; Y35-P341 HydrophobicContact CE1-CG 3.97Å; Y35-P341 HydrophobicContact CE2-CG 4.21Å; Y35-P341 HydrophobicContact CG-CB 4.11Å; Y35-P341 HydrophobicContact CG-CG 4.22Å; M314-P341 HydrophobicContact CE-CG 4.28Å; M314-P341 HydrophobicContact SD-CG 3.82Å; T317-P341 HydrophobicContact CG2-CB 4.27Å; P341-H345 HydrophobicContact CB-CB 3.77Å; P341-H345 VanDerWaalsContact CB-CG 3.46Å
342F96Very high95.3Very high3 Ų321 Ų211%0.01311%0.114CC..  trans-118-123.4-170.5-156.3-132.1000111.5W36 Y333 S344 H345 V346 M352 F354W36-F342 HydrophobicContact CH2-CB 3.82Å; W36-F342 AromaticContact CH2-CD1 3.92Å; W36-F342 HydrophobicContact CH2-CD1 3.92Å; W36-F342 HydrophobicContact CH2-CD2 4.3Å; W36-F342 AromaticContact CH2-CG 3.8Å; W36-F342 HydrophobicContact CH2-CG 3.8Å; W36-F342 HydrophobicContact CZ2-CB 3.86Å; W36-F342 HydrophobicContact CZ2-CG 4.23Å; W36-F342 HydrophobicContact CZ3-CB 4.49Å; W36-F342 HydrophobicContact CZ3-CD1 4.31Å; Y333-F342 HydrophobicContact CD2-CD2 4.25Å; Y333-F342 AromaticContact CD2-CE2 3.96Å; Y333-F342 HydrophobicContact CD2-CE2 3.96Å; Y333-F342 AromaticContact CE2-CD2 3.96Å; Y333-F342 HydrophobicContact CE2-CD2 3.96Å; Y333-F342 AromaticContact CE2-CE2 3.92Å; Y333-F342 HydrophobicContact CE2-CE2 3.92Å; F342-S344 PolarHBondContact O-N 2.92Å; F342-H345 PolarHBondContact O-N 3.45Å; F342-H345 VanDerWaalsContact O-N 3.13Å; F342-V346 PolarHBondContact O-N 2.93Å; F342-M352 HydrophobicContact CD1-CE 4.4Å; F342-M352 HydrophobicContact CD2-CB 4.37Å; F342-M352 HydrophobicContact CD2-CE 3.94Å; F342-M352 HydrophobicContact CD2-SD 4.3Å; F342-M352 HydrophobicContact CE1-CB 4.38Å; F342-M352 HydrophobicContact CE2-CB 3.4Å; F342-M352 HydrophobicContact CE2-CE 4.06Å; F342-M352 HydrophobicContact CE2-CG 4.39Å; F342-M352 HydrophobicContact CE2-SD 4.18Å; F342-M352 HydrophobicContact CG-CE 4.11Å; F342-M352 HydrophobicContact CZ-CB 3.4Å; F342-M352 HydrophobicContact CZ-CE 4.35Å; F342-F354 HydrophobicContact CE1-CD1 4.27Å; F342-F354 HydrophobicContact CE1-CE1 4.49Å; F342-F354 HydrophobicContact CE2-CD1 4.13Å; F342-F354 AromaticContact CZ-CD1 3.92Å; F342-F354 HydrophobicContact CZ-CD1 3.92Å
343Y95.7Very high95.2Very high26 Ų2624.1 Ų24.110%0.10213%0.126CC..Hα-helixtrans-62.3-31.9-178.7-70.5-80.4000112.7E40 Y49 H345 H347 A348 V350 M352E40-Y343 WeakPolarHBondContact OE1-CB 3.43Å; E40-Y343 WeakPolarHBondContact OE1-CD2 3.43Å; E40-Y343 PolarHBondContact OE2-N 3.12Å; Y49-Y343 AromaticContact CD2-CD1 3.56Å; Y49-Y343 HydrophobicContact CD2-CD1 3.56Å; Y49-Y343 HydrophobicContact CD2-CE1 4.02Å; Y49-Y343 HydrophobicContact CD2-CG 4.09Å; Y49-Y343 AromaticContact CE2-CD1 3.68Å; Y49-Y343 HydrophobicContact CE2-CD1 3.68Å; Y49-Y343 HydrophobicContact CE2-CE1 4.39Å; Y49-Y343 HydrophobicContact CE2-CG 4.34Å; Y343-H345 PolarHBondContact O-N 3.39Å; Y343-H347 VanDerWaalsContact O-CA 3.24Å; Y343-H347 WeakPolarHBondContact O-CA 3.49Å; Y343-H347 PolarHBondContact O-N 3.34Å; Y343-A348 WeakPolarHBondContact CD1-O 3.27Å; Y343-V350 WeakPolarHBondContact CE1-O 3.48Å; Y343-V350 PolarHBondContact OH-O 3.27Å; Y343-V350 VanDerWaalsContact OH-O 3.06Å; Y343-M352 HydrophobicContact CD1-CE 3.25Å; Y343-M352 HydrophobicContact CD2-CE 3.79Å; Y343-M352 HydrophobicContact CE1-CE 3.37Å; Y343-M352 HydrophobicContact CE1-CG 4.34Å; Y343-M352 HydrophobicContact CE2-CE 3.91Å; Y343-M352 HydrophobicContact CG-CE 3.47Å; Y343-M352 VanDerWaalsContact CG-CE 3.47Å; Y343-M352 PolarHBondContact OH-N 2.73Å
344S94.1Very high95.1Very high0 Ų024.5 Ų24.50%013%0.128CC..Hα-helixtrans-55.7-20.1174.750.20000115.2E40 F342E40-S344 WeakPolarHBondContact OE2-CB 3.36Å; E40-S344 PolarHBondContact OE2-N 3.37Å; E40-S344 PolarHBondContact OE2-OG 3.5Å; F342-S344 PolarHBondContact O-N 2.92Å
345H94Very high95Very high4 Ų424.4 Ų24.42%0.01913%0.127CC..Hα-helixtrans-121.1-37.2179.7-75.757.6000113.4Y35 Y84 T317 N321 P341 F342 Y343 H347Y35-H345 AromaticContact CD1-CE1 3.28Å; Y35-H345 WeakPolarHBondContact CD1-CE1 3.35Å; Y35-H345 AromaticContact CD1-ND1 3.79Å; Y35-H345 AromaticContact CD1-NE2 3.99Å; Y35-H345 AromaticContact CE1-CE1 3.21Å; Y35-H345 WeakPolarHBondContact CE1-CE1 3.22Å; Y35-H345 AromaticContact CE1-NE2 3.45Å; Y35-H345 WeakPolarHBondContact CE1-NE2 3.41Å; Y84-H345 AromaticContact CD2-CD2 3.53Å; Y84-H345 AromaticContact CD2-NE2 3.96Å; Y84-H345 AromaticContact CG-CD2 3.91Å; T317-H345 HydrophobicContact CG2-CB 3.41Å; T317-H345 VanDerWaalsContact CG2-CB 3.41Å; N321-H345 PolarHBondContact ND2-O 3.37Å; P341-H345 HydrophobicContact CB-CB 3.77Å; P341-H345 VanDerWaalsContact CB-CG 3.46Å; F342-H345 PolarHBondContact O-N 3.45Å; F342-H345 VanDerWaalsContact O-N 3.13Å; Y343-H345 PolarHBondContact O-N 3.39Å; H345-H347 PolarHBondContact O-N 3.06Å
346V94.9Very high94.8Very high0 Ų025.5 Ų25.50%013%0.134CC..Hα-helixtrans-63.2-33.7170.7176.50000109.9T317 N321 A324 I331 F342 A348 V350 M352T317-V346 HydrophobicContact CG2-CG2 4.21Å; N321-V346 PolarHBondContact ND2-O 3.2Å; A324-V346 HydrophobicContact CB-CG1 3.71Å; I331-V346 HydrophobicContact CD1-CG1 4.43Å; F342-V346 PolarHBondContact O-N 2.93Å; V346-A348 HydrophobicContact CG1-CB 4.35Å; V346-A348 PolarHBondContact O-N 3.3Å; V346-V350 HydrophobicContact CG1-CG2 4.07Å; V346-M352 HydrophobicContact CB-CE 3.92Å; V346-M352 HydrophobicContact CB-SD 3.98Å; V346-M352 HydrophobicContact CG1-CE 4.23Å; V346-M352 HydrophobicContact CG1-SD 3.92Å; V346-M352 HydrophobicContact CG2-CE 4.11Å; V346-M352 HydrophobicContact CG2-SD 3.73Å
347H93.8Very high94.4Very high18 Ų1825.3 Ų25.38%0.08313%0.133CC..  trans51.940.5170.5-158.871.4000113.3H43 F47 D82 Q325 Y343 H345H43-H347 AromaticContact CD2-ND1 3.54Å; H43-H347 AromaticContact NE2-CE1 3.84Å; H43-H347 AromaticContact NE2-ND1 3.32Å; H43-H347 PolarHBondContact NE2-ND1 3.47Å; F47-H347 AromaticContact CE2-CE1 3.6Å; F47-H347 AromaticContact CZ-CE1 3.54Å; D82-H347 PolarHBondContact O-CD2 3.02Å; D82-H347 VanDerWaalsContact O-CD2 3.26Å; D82-H347 PolarHBondContact O-NE2 3.36Å; D82-H347 IonicContact OD2-CD2 3.76Å; D82-H347 IonicContact OD2-CE1 2.7Å; D82-H347 IonicContact OD2-NE2 3.2Å; D82-H347 PolarHBondContact OD2-NE2 2.87Å; Q325-H347 PolarHBondContact NE2-O 3.28Å; Y343-H347 VanDerWaalsContact O-CA 3.24Å; Y343-H347 WeakPolarHBondContact O-CA 3.49Å; Y343-H347 PolarHBondContact O-N 3.34Å; H345-H347 PolarHBondContact O-N 3.06Å
348A93.5Very high93.9Very high2 Ų227.3 Ų27.32%0.01714%0.141CC..SBendtrans-144.5143.9179.200000110.2Y49 A324 Y343 V346 V350Y49-A348 WeakPolarHBondContact CE2-O 3.36Å; A324-A348 HydrophobicContact CB-CB 3.7Å; Y343-A348 WeakPolarHBondContact CD1-O 3.27Å; V346-A348 HydrophobicContact CG1-CB 4.35Å; V346-A348 PolarHBondContact O-N 3.3Å; A348-V350 HydrophobicContact CB-CG1 4.15Å; A348-V350 HydrophobicContact CB-CG2 4.23Å; A348-V350 PolarHBondContact O-N 2.89Å
349P94Very high92.9Very high108 Ų10827.9 Ų27.970%0.70115%0.146SC*.  trans-79.653.4178.435-37000111.5Y49Y49-P349 HydrophobicContact CD1-CB 4.23Å; Y49-P349 HydrophobicContact CD2-CB 4.4Å; Y49-P349 HydrophobicContact CE1-CB 4.07Å; Y49-P349 HydrophobicContact CE2-CB 4.25Å; Y49-P349 HydrophobicContact CG-CB 4.4Å
350V95.3Very high91.4Very high18 Ų1831.9 Ų31.911%0.10916%0.163CC..  trans-97.4153.9177.8-67.60000110.8A324 V329 I331 Y343 V346 A348 M352A324-V350 HydrophobicContact CB-CG1 4Å; A324-V350 HydrophobicContact CB-CG2 3.91Å; V329-V350 HydrophobicContact CG2-CB 4.27Å; V329-V350 HydrophobicContact CG2-CG1 4.07Å; V329-V350 HydrophobicContact CG2-CG2 4.34Å; V329-V350 WeakPolarHBondContact O-CB 3.49Å; I331-V350 HydrophobicContact CD1-CG2 4.43Å; Y343-V350 WeakPolarHBondContact CE1-O 3.48Å; Y343-V350 PolarHBondContact OH-O 3.27Å; Y343-V350 VanDerWaalsContact OH-O 3.06Å; V346-V350 HydrophobicContact CG1-CG2 4.07Å; A348-V350 HydrophobicContact CB-CG1 4.15Å; A348-V350 HydrophobicContact CB-CG2 4.23Å; A348-V350 PolarHBondContact O-N 2.89Å; V350-M352 HydrophobicContact CG2-CG 3.98Å; V350-M352 HydrophobicContact CG2-SD 4.36Å; V350-M352 PolarHBondContact O-N 2.97Å
351Q95.4Very high89.6Confident138 Ų13836.7 Ų36.765%0.64519%0.193SC*.EExtended strand (participates in β ladder)trans-70.4123.9177.3-70.2-69.80.100110E330 I331E330-Q351 VanDerWaalsContact CA-O 3.32Å; E330-Q351 WeakPolarHBondContact CA-O 3.37Å; E330-Q351 HydrophobicContact CB-CB 4.38Å; E330-Q351 HydrophobicContact CG-CB 3.93Å; I331-Q351 PolarHBondContact N-O 3.35Å
352M96.8Very high87.6Confident17 Ų1740.8 Ų40.88%0.08421%0.214CC..EExtended strand (participates in β ladder)trans-132.9141.4176.3-57.4-163-75.100111.7I331 Y333 F342 Y343 V346 V350I331-M352 HydrophobicContact CB-CG 4.11Å; I331-M352 HydrophobicContact CB-SD 4.48Å; I331-M352 HydrophobicContact CD1-CG 4.31Å; I331-M352 HydrophobicContact CD1-SD 4.01Å; I331-M352 CarbonylContact O-C 3.56Å; I331-M352 VanDerWaalsContact O-CA 3.24Å; I331-M352 WeakPolarHBondContact O-CA 3.25Å; Y333-M352 HydrophobicContact CE2-SD 4.05Å; F342-M352 HydrophobicContact CD1-CE 4.4Å; F342-M352 HydrophobicContact CD2-CB 4.37Å; F342-M352 HydrophobicContact CD2-CE 3.94Å; F342-M352 HydrophobicContact CD2-SD 4.3Å; F342-M352 HydrophobicContact CE1-CB 4.38Å; F342-M352 HydrophobicContact CE2-CB 3.4Å; F342-M352 HydrophobicContact CE2-CE 4.06Å; F342-M352 HydrophobicContact CE2-CG 4.39Å; F342-M352 HydrophobicContact CE2-SD 4.18Å; F342-M352 HydrophobicContact CG-CE 4.11Å; F342-M352 HydrophobicContact CZ-CB 3.4Å; F342-M352 HydrophobicContact CZ-CE 4.35Å; Y343-M352 HydrophobicContact CD1-CE 3.25Å; Y343-M352 HydrophobicContact CD2-CE 3.79Å; Y343-M352 HydrophobicContact CE1-CE 3.37Å; Y343-M352 HydrophobicContact CE1-CG 4.34Å; Y343-M352 HydrophobicContact CE2-CE 3.91Å; Y343-M352 HydrophobicContact CG-CE 3.47Å; Y343-M352 VanDerWaalsContact CG-CE 3.47Å; Y343-M352 PolarHBondContact OH-N 2.73Å; V346-M352 HydrophobicContact CB-CE 3.92Å; V346-M352 HydrophobicContact CB-SD 3.98Å; V346-M352 HydrophobicContact CG1-CE 4.23Å; V346-M352 HydrophobicContact CG1-SD 3.92Å; V346-M352 HydrophobicContact CG2-CE 4.11Å; V346-M352 HydrophobicContact CG2-SD 3.73Å; V350-M352 HydrophobicContact CG2-CG 3.98Å; V350-M352 HydrophobicContact CG2-SD 4.36Å; V350-M352 PolarHBondContact O-N 2.97Å
353R96Very high85.5Confident74 Ų7445.3 Ų45.328%0.27925%0.246SC..EExtended strand (participates in β ladder)trans-130.2146.3174.7-176.4177.5175.9179.8-0.9109.7I331 W332 Y333 E370 E385I331-R353 PolarHBondContact O-N 2.97Å; W332-R353 CarbonylContact C-O 3.04Å; W332-R353 WeakPolarHBondContact CA-O 3.46Å; W332-R353 HydrophobicContact CG-CB 4.18Å; Y333-R353 PolarHBondContact N-O 2.85Å; R353-E370 IonicContact CZ-OE1 2.96Å; R353-E370 IonicContact NE-OE1 3.67Å; R353-E370 IonicContact NH2-OE1 3.97Å; R353-E370 PolarHBondContact NH2-OE1 3.3Å; R353-E385 IonicContact CZ-OE2 3.71Å; R353-E385 IonicContact NH1-OE2 2.82Å; R353-E385 PolarHBondContact NH1-OE2 2.94Å; R353-E385 IonicContact NH2-OE2 2.78Å; R353-E385 PolarHBondContact NH2-OE2 3.23Å
354F96.6Very high83.6Confident11 Ų1148.8 Ų48.85%0.04826%0.263CS..EExtended strand (participates in β ladder)trans-135.6162.8169.771.9-78.9000109W36 Y51 Y333 H338 F342 T356W36-F354 AromaticContact CH2-CD1 3.63Å; W36-F354 HydrophobicContact CH2-CD1 3.63Å; W36-F354 HydrophobicContact CH2-CD2 4.2Å; W36-F354 AromaticContact CH2-CE1 3.36Å; W36-F354 HydrophobicContact CH2-CE1 3.36Å; W36-F354 AromaticContact CH2-CE2 3.97Å; W36-F354 HydrophobicContact CH2-CE2 3.97Å; W36-F354 HydrophobicContact CH2-CG 4.06Å; W36-F354 AromaticContact CH2-CZ 3.54Å; W36-F354 HydrophobicContact CH2-CZ 3.54Å; W36-F354 HydrophobicContact CZ2-CE1 4.5Å; W36-F354 HydrophobicContact CZ3-CD1 4.34Å; W36-F354 AromaticContact CZ3-CE1 3.6Å; W36-F354 HydrophobicContact CZ3-CE1 3.6Å; W36-F354 HydrophobicContact CZ3-CE2 4.32Å; W36-F354 AromaticContact CZ3-CZ 3.6Å; W36-F354 HydrophobicContact CZ3-CZ 3.6Å; Y51-F354 HydrophobicContact CD1-CE1 4.2Å; Y51-F354 HydrophobicContact CD1-CZ 4.26Å; Y51-F354 HydrophobicContact CD2-CE1 4.04Å; Y51-F354 AromaticContact CE1-CE1 3.99Å; Y51-F354 HydrophobicContact CE1-CE1 3.99Å; Y51-F354 AromaticContact CE1-CZ 3.75Å; Y51-F354 HydrophobicContact CE1-CZ 3.75Å; Y51-F354 AromaticContact CE2-CE1 3.86Å; Y51-F354 HydrophobicContact CE2-CE1 3.86Å; Y51-F354 HydrophobicContact CE2-CZ 4.3Å; Y51-F354 HydrophobicContact CG-CE1 4.19Å; Y51-F354 AromaticContact CZ-CE1 3.82Å; Y51-F354 AromaticContact CZ-CZ 3.78Å; Y333-F354 WeakPolarHBondContact O-CA 3.45Å; H338-F354 AromaticContact CE1-CE2 3.61Å; H338-F354 AromaticContact CE1-CZ 3.66Å; H338-F354 AromaticContact ND1-CE2 3.64Å; H338-F354 AromaticContact ND1-CZ 3.88Å; F342-F354 HydrophobicContact CE1-CD1 4.27Å; F342-F354 HydrophobicContact CE1-CE1 4.49Å; F342-F354 HydrophobicContact CE2-CD1 4.13Å; F342-F354 AromaticContact CZ-CD1 3.92Å; F342-F354 HydrophobicContact CZ-CD1 3.92Å; F354-T356 HydrophobicContact CE2-CG2 4.2Å; F354-T356 HydrophobicContact CZ-CG2 4.11Å; F354-T356 PolarHBondContact O-N 2.96Å
355L95.8Very high81.8Confident1 Ų160.7 Ų60.71%0.00531%0.308CS..  trans-71120.9175.3-58.4174.5000110.4Y333 L334 M335 C337 E370 F374 W381Y333-L355 PolarHBondContact O-N 3.43Å; L334-L355 HydrophobicContact CD2-CD2 4.12Å; M335-L355 WeakPolarHBondContact O-CD1 3.47Å; C337-L355 WeakPolarHBondContact CA-O 3.28Å; C337-L355 WeakPolarHBondContact CB-O 3.31Å; L355-E370 HydrophobicContact CD2-CG 4.38Å; L355-F374 HydrophobicContact CD1-CB 3.92Å; L355-F374 HydrophobicContact CD1-CD1 3.15Å; L355-F374 HydrophobicContact CD1-CE1 3.73Å; L355-F374 HydrophobicContact CD1-CG 3.65Å; L355-F374 HydrophobicContact CD2-CB 3.99Å; L355-F374 HydrophobicContact CD2-CD1 4.43Å; L355-F374 HydrophobicContact CD2-CG 4.09Å; L355-F374 HydrophobicContact CG-CD1 4.42Å; L355-W381 HydrophobicContact CD2-CH2 3.37Å; L355-W381 HydrophobicContact CD2-CZ2 3.63Å; L355-W381 HydrophobicContact CD2-CZ3 4.02Å
356T92.1Very high80.6Confident26 Ų2666.4 Ų66.416%0.1634%0.343CS..  trans-85.1154.8-177.364.80000112.4F354 M358 E370 S371F354-T356 HydrophobicContact CE2-CG2 4.2Å; F354-T356 HydrophobicContact CZ-CG2 4.11Å; F354-T356 PolarHBondContact O-N 2.96Å; T356-M358 HydrophobicContact CG2-CE 4.14Å; T356-E370 WeakPolarHBondContact CB-OE2 3.38Å; T356-E370 PolarHBondContact N-OE2 3.47Å; T356-E370 PolarHBondContact OG1-OE2 3.4Å; T356-S371 PolarHBondContact O-N 3.17Å; T356-S371 VanDerWaalsContact O-N 3.11Å
357C87.2Confident79.4Confident20 Ų2069.8 Ų69.814%0.13536%0.356CS..  trans-130.247.617257.40000110.9C337 D369C337-C357 HydrophobicContact CB-CB 3.57Å; C337-C357 WeakPolarHBondContact CB-SG 3.5Å; C337-C357 WeakPolarHBondContact SG-CB 3.49Å; C337-C357 CovalentContact SG-SG 2.03Å; C337-C357 PolarHBondContact SG-SG 3.43Å; C357-D369 HydrophobicContact CB-CB 4.36Å
358M81.5Confident78.8Confident73 Ų7371.6 Ų71.636%0.3637%0.366SS..  trans-64.4132.9179.9-62-170.4-160.300109.6Y51 T356 E360 Y367Y51-M358 WeakPolarHBondContact OH-CE 3.48Å; T356-M358 HydrophobicContact CG2-CE 4.14Å; M358-E360 PolarHBondContact O-N 2.93Å; M358-Y367 WeakPolarHBondContact O-CE1 3.31Å; M358-Y367 PolarHBondContact O-OH 3.22Å
359P73.9Confident78.5Confident32 Ų3272.9 Ų72.921%0.20837%0.373CS..  trans-71.299.216629.8-30.7000107.4W54 L201W54-P359 HydrophobicContact CD2-CG 3.52Å; W54-P359 HydrophobicContact CE3-CG 3.73Å; W54-P359 HydrophobicContact CG-CG 4.1Å; W54-P359 HydrophobicContact CH2-CG 4.15Å; W54-P359 HydrophobicContact CZ2-CG 3.94Å; W54-P359 HydrophobicContact CZ3-CG 4.02Å; L201-P359 HydrophobicContact CD1-CB 3.78Å
360E63.2Low78.4Confident97 Ų9769.5 Ų69.545%0.45335%0.348SS..  trans-58.2154.5162.2-81.2-174.3-160.800109M358 L362 Q364 Y367M358-E360 PolarHBondContact O-N 2.93Å; E360-L362 PolarHBondContact O-N 3.28Å; E360-Q364 PolarHBondContact OE2-NE2 2.98Å; E360-Y367 HydrophobicContact CB-CD2 3.65Å; E360-Y367 HydrophobicContact CB-CE2 3.48Å; E360-Y367 VanDerWaalsContact CB-CE2 3.48Å; E360-Y367 HydrophobicContact CB-CG 4.27Å; E360-Y367 HydrophobicContact CG-CD2 4.06Å; E360-Y367 HydrophobicContact CG-CE2 3.41Å; E360-Y367 VanDerWaalsContact CG-CE2 3.41Å
361T56.1Low78.3Confident103 Ų10368.8 Ų68.863%0.63234%0.343SS*.  trans-25.9112.8178.6-19.50000110.9S363 Q364T361-S363 WeakPolarHBondContact CB-OG 3.41Å; T361-S363 PolarHBondContact O-N 3.38Å; T361-S363 PolarHBondContact O-OG 2.81Å; T361-Q364 PolarHBondContact O-N 3.39Å
362L53.5Low78.1Confident86 Ų8664.5 Ų64.545%0.4533%0.325SS..THydrogen-bonded Turntrans-49.2-4.8-180-73.6158.2000114.6F192 K196 L201 E360F192-L362 HydrophobicContact CE2-CD1 4.33Å; K196-L362 HydrophobicContact CB-CD1 4.02Å; K196-L362 HydrophobicContact CD-CD1 4Å; L201-L362 HydrophobicContact CD1-CD2 3.82Å; L201-L362 HydrophobicContact CG-CD2 4.49Å; E360-L362 PolarHBondContact O-N 3.28Å
363S52.6Low77.9Confident97 Ų9766.9 Ų66.968%0.67834%0.338SS*.THydrogen-bonded Turntrans-71.8-22173.4560000114.5T361 R365T361-S363 WeakPolarHBondContact CB-OG 3.41Å; T361-S363 PolarHBondContact O-N 3.38Å; T361-S363 PolarHBondContact O-OG 2.81Å; S363-R365 PolarHBondContact O-N 3.32Å
364Q55.6Low77.9Confident99 Ų9963.4 Ų63.446%0.46333%0.325SS..  trans-84.2112.9179.4-67.3-173.66.400111.5E360 T361 V366E360-Q364 PolarHBondContact OE2-NE2 2.98Å; T361-Q364 PolarHBondContact O-N 3.39Å; Q364-V366 PolarHBondContact O-N 3.04Å
365R55.5Low77.8Confident251 Ų25164.4 Ų64.495%0.94733%0.33SS*.THydrogen-bonded Turntrans-63.1-21.7179.8-74.7-175.5178.2-179.8-0.4114.6S363S363-R365 PolarHBondContact O-N 3.32Å
366V68.6Low77.8Confident123 Ų12372.2 Ų72.275%0.74536%0.359SS*.THydrogen-bonded Turntrans-134.368.3-177.8-170.20000108.5Q364Q364-V366 PolarHBondContact O-N 3.04Å
367Y71.2Confident78Confident72 Ų7274.5 Ų74.528%0.28237%0.37SS..  trans-88.2132.9171178-108.9000109.6M358 E360 D369M358-Y367 WeakPolarHBondContact O-CE1 3.31Å; M358-Y367 PolarHBondContact O-OH 3.22Å; E360-Y367 HydrophobicContact CB-CD2 3.65Å; E360-Y367 HydrophobicContact CB-CE2 3.48Å; E360-Y367 VanDerWaalsContact CB-CE2 3.48Å; E360-Y367 HydrophobicContact CB-CG 4.27Å; E360-Y367 HydrophobicContact CG-CD2 4.06Å; E360-Y367 HydrophobicContact CG-CE2 3.41Å; E360-Y367 VanDerWaalsContact CG-CE2 3.41Å; Y367-D369 HydrophobicContact CE1-CB 3.68Å
368I80.2Confident78.5Confident56 Ų5674 Ų7429%0.28737%0.367SS..  trans-123.5116.7172.8-61.3157.2000105.6D372 N373I368-D372 HydrophobicContact CG2-CB 3.6Å; I368-N373 HydrophobicContact CG2-CB 4.12Å
369D86.7Confident79.2Confident29 Ų2972 Ų7216%0.15536%0.36CS..  trans-70.7167.3179.467.561000112.9C357 Y367 S371 D372 N373C357-D369 HydrophobicContact CB-CB 4.36Å; Y367-D369 HydrophobicContact CE1-CB 3.68Å; D369-S371 VanDerWaalsContact C-N 3.31Å; D369-S371 PolarHBondContact O-N 3.47Å; D369-S371 WeakPolarHBondContact OD1-CA 3.46Å; D369-S371 VanDerWaalsContact OD1-CB 3.27Å; D369-S371 WeakPolarHBondContact OD1-CB 3.45Å; D369-S371 PolarHBondContact OD1-N 3.49Å; D369-D372 PolarHBondContact O-N 2.81Å; D369-D372 PolarHBondContact OD1-N 2.72Å; D369-N373 WeakPolarHBondContact O-CB 3.36Å; D369-N373 PolarHBondContact O-N 2.86Å
370E92.5Very high80.3Confident37 Ų3774.3 Ų74.317%0.17337%0.373CS..Hα-helixtrans-58.7-43-178.2-178.9-172.8-161.200111.8R353 L355 T356 N373 F374 W381R353-E370 IonicContact CZ-OE1 2.96Å; R353-E370 IonicContact NE-OE1 3.67Å; R353-E370 IonicContact NH2-OE1 3.97Å; R353-E370 PolarHBondContact NH2-OE1 3.3Å; L355-E370 HydrophobicContact CD2-CG 4.38Å; T356-E370 WeakPolarHBondContact CB-OE2 3.38Å; T356-E370 PolarHBondContact N-OE2 3.47Å; T356-E370 PolarHBondContact OG1-OE2 3.4Å; E370-N373 PolarHBondContact O-N 3.25Å; E370-F374 PolarHBondContact O-N 3.1Å; E370-W381 HydrophobicContact CG-CZ2 3.68Å; E370-W381 WeakPolarHBondContact OE1-CZ2 3.29Å
371S93.2Very high81.9Confident3 Ų370 Ų702%0.02135%0.353CS..Hα-helixtrans-61.3-46.8177.5163.20000111.3T356 D369 N373 F374 H375T356-S371 PolarHBondContact O-N 3.17Å; T356-S371 VanDerWaalsContact O-N 3.11Å; D369-S371 VanDerWaalsContact C-N 3.31Å; D369-S371 PolarHBondContact O-N 3.47Å; D369-S371 WeakPolarHBondContact OD1-CA 3.46Å; D369-S371 VanDerWaalsContact OD1-CB 3.27Å; D369-S371 WeakPolarHBondContact OD1-CB 3.45Å; D369-S371 PolarHBondContact OD1-N 3.49Å; S371-N373 VanDerWaalsContact C-N 3.34Å; S371-N373 PolarHBondContact O-N 3.13Å; S371-F374 PolarHBondContact O-N 3.31Å; S371-H375 PolarHBondContact O-N 2.93Å; S371-H375 PolarHBondContact O-ND1 3Å
372D91.3Very high83.9Confident48 Ų4865 Ų6526%0.25732%0.323SS..Hα-helixtrans-62.4-41.4176.6-84.918.2000112.1I368 D369 H375 R376 R431I368-D372 HydrophobicContact CG2-CB 3.6Å; D369-D372 PolarHBondContact O-N 2.81Å; D369-D372 PolarHBondContact OD1-N 2.72Å; D372-H375 PolarHBondContact O-N 3.2Å; D372-R376 WeakPolarHBondContact O-CB 2.84Å; D372-R376 PolarHBondContact O-N 3.35Å; D372-R431 IonicContact OD1-CZ 2.75Å; D372-R431 IonicContact OD1-NH1 3.67Å; D372-R431 PolarHBondContact OD1-NH1 3.4Å; D372-R431 IonicContact OD1-NH2 3.2Å; D372-R431 PolarHBondContact OD1-NH2 2.91Å; D372-R431 IonicContact OD2-NH2 2.85Å; D372-R431 PolarHBondContact OD2-NH2 2.77Å
373N93Very high85.9Confident67 Ų6764.5 Ų64.536%0.35832%0.318SS..Hα-helixtrans-66.6-41.2179.7-1544.2000111.2I368 D369 E370 S371 R376 D377I368-N373 HydrophobicContact CG2-CB 4.12Å; D369-N373 WeakPolarHBondContact O-CB 3.36Å; D369-N373 PolarHBondContact O-N 2.86Å; E370-N373 PolarHBondContact O-N 3.25Å; S371-N373 VanDerWaalsContact C-N 3.34Å; S371-N373 PolarHBondContact O-N 3.13Å; N373-R376 PolarHBondContact O-N 2.8Å; N373-D377 PolarHBondContact O-N 3.3Å
374F96.5Very high88Confident0 Ų064.6 Ų64.60%030%0.303CS..Hα-helixtrans-61.1-49.7171.7170.1-104.4000111.7L334 L355 E370 S371 R376 D377 P378 W381 I398 T402L334-F374 HydrophobicContact CB-CE1 4.12Å; L334-F374 HydrophobicContact CB-CE2 4.44Å; L334-F374 HydrophobicContact CB-CZ 3.77Å; L334-F374 HydrophobicContact CD1-CE2 4.24Å; L334-F374 HydrophobicContact CD1-CZ 4.2Å; L334-F374 HydrophobicContact CG-CZ 4.42Å; L355-F374 HydrophobicContact CD1-CB 3.92Å; L355-F374 HydrophobicContact CD1-CD1 3.15Å; L355-F374 HydrophobicContact CD1-CE1 3.73Å; L355-F374 HydrophobicContact CD1-CG 3.65Å; L355-F374 HydrophobicContact CD2-CB 3.99Å; L355-F374 HydrophobicContact CD2-CD1 4.43Å; L355-F374 HydrophobicContact CD2-CG 4.09Å; L355-F374 HydrophobicContact CG-CD1 4.42Å; E370-F374 PolarHBondContact O-N 3.1Å; S371-F374 PolarHBondContact O-N 3.31Å; F374-R376 PolarHBondContact O-N 2.6Å; F374-D377 CarbonylContact O-C 3.54Å; F374-D377 VanDerWaalsContact O-C 3.24Å; F374-D377 PolarHBondContact O-N 3.18Å; F374-P378 HydrophobicContact CD2-CB 4.28Å; F374-P378 HydrophobicContact CE2-CB 3.8Å; F374-P378 HydrophobicContact CZ-CB 3.97Å; F374-P378 WeakPolarHBondContact O-CA 3.4Å; F374-P378 VanDerWaalsContact O-CD 3.24Å; F374-P378 WeakPolarHBondContact O-CD 3.48Å; F374-P378 VanDerWaalsContact O-CG 3.27Å; F374-P378 WeakPolarHBondContact O-CG 3.21Å; F374-W381 HydrophobicContact CB-CD2 3.93Å; F374-W381 HydrophobicContact CB-CE3 4.35Å; F374-W381 HydrophobicContact CB-CG 4.05Å; F374-W381 HydrophobicContact CD2-CB 4.21Å; F374-W381 AromaticContact CD2-CD2 3.71Å; F374-W381 HydrophobicContact CD2-CD2 3.71Å; F374-W381 AromaticContact CD2-CE3 3.36Å; F374-W381 HydrophobicContact CD2-CE3 3.36Å; F374-W381 HydrophobicContact CD2-CG 4.08Å; F374-W381 AromaticContact CD2-CZ3 3.94Å; F374-W381 HydrophobicContact CD2-CZ3 3.94Å; F374-W381 HydrophobicContact CE2-CE3 4.05Å; F374-W381 HydrophobicContact CE2-CZ3 4.46Å; F374-W381 HydrophobicContact CG-CD2 4.29Å; F374-W381 HydrophobicContact CG-CE3 4.24Å; F374-I398 HydrophobicContact CZ-CD1 4.22Å; F374-T402 HydrophobicContact CE1-CG2 3.77Å; F374-T402 HydrophobicContact CZ-CG2 3.81Å
375H94.9Very high90Very high33 Ų3361 Ų6115%0.15329%0.286CS..Hα-helixtrans-69.2-17.3-176.7-70.793.8000113.6S371 D372 R431S371-H375 PolarHBondContact O-N 2.93Å; S371-H375 PolarHBondContact O-ND1 3Å; D372-H375 PolarHBondContact O-N 3.2Å; H375-R431 HydrophobicContact CB-CG 4.23Å
376R94.2Very high91.9Very high165 Ų16549 Ų4962%0.62324%0.241SC*.Hα-helixtrans-73.4-45.9173.5-175.5-177.6-62.5-179.31.3112.6D372 N373 F374D372-R376 WeakPolarHBondContact O-CB 2.84Å; D372-R376 PolarHBondContact O-N 3.35Å; N373-R376 PolarHBondContact O-N 2.8Å; F374-R376 PolarHBondContact O-N 2.6Å
377D96.2Very high93.1Very high74 Ų7447.5 Ų47.540%0.39624%0.236SC..SBendtrans-142.581.5175.7-173.6-7000110.7N373 F374 S379 T380 W381N373-D377 PolarHBondContact O-N 3.3Å; F374-D377 CarbonylContact O-C 3.54Å; F374-D377 VanDerWaalsContact O-C 3.24Å; F374-D377 PolarHBondContact O-N 3.18Å; D377-S379 VanDerWaalsContact C-N 3.27Å; D377-S379 PolarHBondContact O-N 3.21Å; D377-T380 VanDerWaalsContact CG-CB 3.5Å; D377-T380 VanDerWaalsContact CG-OG1 3.23Å; D377-T380 PolarHBondContact OD1-N 3.29Å; D377-T380 PolarHBondContact OD1-OG1 3.12Å; D377-T380 WeakPolarHBondContact OD2-CB 3.25Å; D377-T380 PolarHBondContact OD2-OG1 2.82Å; D377-W381 WeakPolarHBondContact O-CB 3.47Å; D377-W381 PolarHBondContact O-N 3.14Å; D377-W381 VanDerWaalsContact O-N 3.07Å
378P97.3Very high94.2Very high10 Ų1049.8 Ų49.87%0.06525%0.252CS..Hα-helixtrans-60.1-35.6-173.4-27.635.2000113.6F374 L382 T402 L405 V406F374-P378 HydrophobicContact CD2-CB 4.28Å; F374-P378 HydrophobicContact CE2-CB 3.8Å; F374-P378 HydrophobicContact CZ-CB 3.97Å; F374-P378 WeakPolarHBondContact O-CA 3.4Å; F374-P378 VanDerWaalsContact O-CD 3.24Å; F374-P378 WeakPolarHBondContact O-CD 3.48Å; F374-P378 VanDerWaalsContact O-CG 3.27Å; F374-P378 WeakPolarHBondContact O-CG 3.21Å; P378-L382 WeakPolarHBondContact O-CB 3.14Å; P378-L382 PolarHBondContact O-N 3.21Å; P378-T402 HydrophobicContact CB-CG2 4.05Å; P378-T402 HydrophobicContact CG-CG2 3.96Å; P378-L405 HydrophobicContact CG-CB 4.49Å; P378-L405 HydrophobicContact CG-CD1 4.13Å; P378-V406 HydrophobicContact CB-CG1 3.44Å; P378-V406 VanDerWaalsContact CB-CG1 3.44Å
379S97.1Very high94.7Very high30 Ų3049.3 Ų49.321%0.2126%0.256CS..Hα-helixtrans-72.3-54.4-175.3-79.10000111.4D377 W381 L382 E383 L405D377-S379 VanDerWaalsContact C-N 3.27Å; D377-S379 PolarHBondContact O-N 3.21Å; S379-W381 VanDerWaalsContact C-N 3.29Å; S379-W381 PolarHBondContact O-N 3.32Å; S379-L382 PolarHBondContact O-N 3.17Å; S379-E383 WeakPolarHBondContact O-CG 3.48Å; S379-E383 PolarHBondContact O-N 2.91Å; S379-L405 PolarHBondContact OG-O 3.4Å
380T97.1Very high94.7Very high80 Ų8051 Ų5149%0.49128%0.28SS..Hα-helixtrans-63.1-39.5179.9-54.60000111D377 R384D377-T380 VanDerWaalsContact CG-CB 3.5Å; D377-T380 VanDerWaalsContact CG-OG1 3.23Å; D377-T380 PolarHBondContact OD1-N 3.29Å; D377-T380 PolarHBondContact OD1-OG1 3.12Å; D377-T380 WeakPolarHBondContact OD2-CB 3.25Å; D377-T380 PolarHBondContact OD2-OG1 2.82Å; T380-R384 WeakPolarHBondContact O-CB 3.17Å; T380-R384 PolarHBondContact O-N 3.24Å; T380-R384 VanDerWaalsContact O-N 3.11Å
381W97.2Very high94.5Very high6 Ų657.2 Ų57.22%0.02330%0.302CS..Hα-helixtrans-60.5-49.9175.5-172.9106.6000110.9L334 L355 E370 F374 D377 S379 E383 R384 E385L334-W381 HydrophobicContact CD2-CH2 4.35Å; L334-W381 HydrophobicContact CD2-CZ3 3.89Å; L355-W381 HydrophobicContact CD2-CH2 3.37Å; L355-W381 HydrophobicContact CD2-CZ2 3.63Å; L355-W381 HydrophobicContact CD2-CZ3 4.02Å; E370-W381 HydrophobicContact CG-CZ2 3.68Å; E370-W381 WeakPolarHBondContact OE1-CZ2 3.29Å; F374-W381 HydrophobicContact CB-CD2 3.93Å; F374-W381 HydrophobicContact CB-CE3 4.35Å; F374-W381 HydrophobicContact CB-CG 4.05Å; F374-W381 HydrophobicContact CD2-CB 4.21Å; F374-W381 AromaticContact CD2-CD2 3.71Å; F374-W381 HydrophobicContact CD2-CD2 3.71Å; F374-W381 AromaticContact CD2-CE3 3.36Å; F374-W381 HydrophobicContact CD2-CE3 3.36Å; F374-W381 HydrophobicContact CD2-CG 4.08Å; F374-W381 AromaticContact CD2-CZ3 3.94Å; F374-W381 HydrophobicContact CD2-CZ3 3.94Å; F374-W381 HydrophobicContact CE2-CE3 4.05Å; F374-W381 HydrophobicContact CE2-CZ3 4.46Å; F374-W381 HydrophobicContact CG-CD2 4.29Å; F374-W381 HydrophobicContact CG-CE3 4.24Å; D377-W381 WeakPolarHBondContact O-CB 3.47Å; D377-W381 PolarHBondContact O-N 3.14Å; D377-W381 VanDerWaalsContact O-N 3.07Å; S379-W381 VanDerWaalsContact C-N 3.29Å; S379-W381 PolarHBondContact O-N 3.32Å; W381-E383 PolarHBondContact O-N 2.86Å; W381-R384 PolarHBondContact O-N 3.41Å; W381-E385 HydrophobicContact CD2-CG 3.68Å; W381-E385 HydrophobicContact CE3-CB 4.25Å; W381-E385 HydrophobicContact CE3-CG 3.68Å; W381-E385 HydrophobicContact CH2-CB 4.28Å; W381-E385 HydrophobicContact CH2-CG 3.62Å; W381-E385 HydrophobicContact CZ2-CG 3.6Å; W381-E385 HydrophobicContact CZ3-CB 4.04Å; W381-E385 HydrophobicContact CZ3-CG 3.66Å; W381-E385 WeakPolarHBondContact O-CG 3.36Å; W381-E385 PolarHBondContact O-N 3.37Å
382L97.4Very high94.6Very high0 Ų059.5 Ų59.50%031%0.31CS..Hα-helixtrans-65.1-43.1-176.9-177.760.3000112.1W332 L334 P378 S379 R384 E385 L386 V406 V409 F410W332-L382 HydrophobicContact CZ3-CD1 4.47Å; L334-L382 HydrophobicContact CD1-CD1 3.77Å; L334-L382 HydrophobicContact CD1-CD2 4.21Å; P378-L382 WeakPolarHBondContact O-CB 3.14Å; P378-L382 PolarHBondContact O-N 3.21Å; S379-L382 PolarHBondContact O-N 3.17Å; L382-R384 VanDerWaalsContact C-N 3.31Å; L382-R384 PolarHBondContact O-N 3.5Å; L382-E385 PolarHBondContact O-N 3.42Å; L382-L386 HydrophobicContact CD1-CD1 3.94Å; L382-L386 HydrophobicContact CD1-CD2 4.37Å; L382-L386 HydrophobicContact CD1-CG 3.89Å; L382-L386 HydrophobicContact CG-CD1 3.86Å; L382-L386 HydrophobicContact CG-CG 4.25Å; L382-L386 WeakPolarHBondContact O-CB 3.48Å; L382-L386 VanDerWaalsContact O-CG 3.22Å; L382-L386 WeakPolarHBondContact O-CG 3.38Å; L382-L386 PolarHBondContact O-N 3.21Å; L382-V406 HydrophobicContact CD2-CB 4.08Å; L382-V406 HydrophobicContact CD2-CG1 4.26Å; L382-V406 HydrophobicContact CD2-CG2 4.38Å; L382-V409 HydrophobicContact CD2-CB 4.23Å; L382-V409 HydrophobicContact CD2-CG1 3.86Å; L382-V409 HydrophobicContact CG-CG1 4Å; L382-F410 HydrophobicContact CD2-CD1 4.23Å; L382-F410 HydrophobicContact CD2-CE1 3.76Å
383E96.7Very high94.8Very high74 Ų7457.2 Ų57.235%0.34630%0.298SS..Hα-helixtrans-59.5-43.6176.2-70.8-162.7140.600111.9S379 W381 S387 V409 K412S379-E383 WeakPolarHBondContact O-CG 3.48Å; S379-E383 PolarHBondContact O-N 2.91Å; W381-E383 PolarHBondContact O-N 2.86Å; E383-S387 WeakPolarHBondContact O-CB 3.4Å; E383-S387 PolarHBondContact O-N 2.98Å; E383-V409 HydrophobicContact CG-CB 4.36Å; E383-V409 HydrophobicContact CG-CG1 3.86Å; E383-V409 HydrophobicContact CG-CG2 3.59Å; E383-K412 IonicContact OE1-NZ 3.38Å; E383-K412 PolarHBondContact OE1-NZ 2.97Å; E383-K412 IonicContact OE2-NZ 3.94Å
384R96.7Very high95Very high100 Ų10055.6 Ų55.638%0.37729%0.291SS..Hα-helixtrans-62-50.5177.5-174.6-169.668.8-124.7-5.7111.3T380 W381 L382 L386 S387 I388T380-R384 WeakPolarHBondContact O-CB 3.17Å; T380-R384 PolarHBondContact O-N 3.24Å; T380-R384 VanDerWaalsContact O-N 3.11Å; W381-R384 PolarHBondContact O-N 3.41Å; L382-R384 VanDerWaalsContact C-N 3.31Å; L382-R384 PolarHBondContact O-N 3.5Å; R384-L386 PolarHBondContact O-N 3.46Å; R384-S387 WeakPolarHBondContact O-CB 3.31Å; R384-S387 PolarHBondContact O-N 3.36Å; R384-S387 VanDerWaalsContact O-N 3.16Å; R384-I388 HydrophobicContact CG-CD1 3.88Å; R384-I388 WeakPolarHBondContact O-CG1 3.31Å; R384-I388 PolarHBondContact O-N 3.49Å
385E96.3Very high95Very high23 Ų2355.7 Ų55.711%0.10729%0.291CS..Hα-helixtrans-67-38.4-176.5-67.2-59.2129.200112.6W332 R353 W381 L382 S387 I388 A389W332-E385 HydrophobicContact CZ3-CB 4.35Å; R353-E385 IonicContact CZ-OE2 3.71Å; R353-E385 IonicContact NH1-OE2 2.82Å; R353-E385 PolarHBondContact NH1-OE2 2.94Å; R353-E385 IonicContact NH2-OE2 2.78Å; R353-E385 PolarHBondContact NH2-OE2 3.23Å; W381-E385 HydrophobicContact CD2-CG 3.68Å; W381-E385 HydrophobicContact CE3-CB 4.25Å; W381-E385 HydrophobicContact CE3-CG 3.68Å; W381-E385 HydrophobicContact CH2-CB 4.28Å; W381-E385 HydrophobicContact CH2-CG 3.62Å; W381-E385 HydrophobicContact CZ2-CG 3.6Å; W381-E385 HydrophobicContact CZ3-CB 4.04Å; W381-E385 HydrophobicContact CZ3-CG 3.66Å; W381-E385 WeakPolarHBondContact O-CG 3.36Å; W381-E385 PolarHBondContact O-N 3.37Å; L382-E385 PolarHBondContact O-N 3.42Å; E385-S387 VanDerWaalsContact C-N 3.32Å; E385-I388 PolarHBondContact O-N 3.06Å; E385-A389 WeakPolarHBondContact O-CB 3.35Å; E385-A389 PolarHBondContact O-N 3.43Å
386L95.4Very high95.2Very high0 Ų054.1 Ų54.10%028%0.284CS..Hα-helixtrans-63.6-40.8172.2-68.6176.3000110.7W332 L382 R384 I388 A389 G390 R392 P393 V409 E413W332-L386 HydrophobicContact CE3-CD2 4.44Å; W332-L386 HydrophobicContact CH2-CD2 3.95Å; W332-L386 HydrophobicContact CZ3-CD2 3.72Å; W332-L386 HydrophobicContact CZ3-CG 4.41Å; L382-L386 HydrophobicContact CD1-CD1 3.94Å; L382-L386 HydrophobicContact CD1-CD2 4.37Å; L382-L386 HydrophobicContact CD1-CG 3.89Å; L382-L386 HydrophobicContact CG-CD1 3.86Å; L382-L386 HydrophobicContact CG-CG 4.25Å; L382-L386 WeakPolarHBondContact O-CB 3.48Å; L382-L386 VanDerWaalsContact O-CG 3.22Å; L382-L386 WeakPolarHBondContact O-CG 3.38Å; L382-L386 PolarHBondContact O-N 3.21Å; R384-L386 PolarHBondContact O-N 3.46Å; L386-I388 VanDerWaalsContact C-N 3.35Å; L386-I388 PolarHBondContact O-N 3.47Å; L386-A389 PolarHBondContact O-N 2.93Å; L386-G390 PolarHBondContact O-N 2.79Å; L386-R392 PolarHBondContact O-NH1 3.44Å; L386-P393 HydrophobicContact CD2-CG 4.44Å; L386-V409 HydrophobicContact CD1-CG1 4.16Å; L386-E413 HydrophobicContact CD1-CG 3.97Å
387S94.5Very high95.4Very high90 Ų9046.2 Ų46.263%0.62925%0.254SS*.Hα-helixtrans-61.8-41.3175.2-171.10000112.5E383 R384 E385E383-S387 WeakPolarHBondContact O-CB 3.4Å; E383-S387 PolarHBondContact O-N 2.98Å; R384-S387 WeakPolarHBondContact O-CB 3.31Å; R384-S387 PolarHBondContact O-N 3.36Å; R384-S387 VanDerWaalsContact O-N 3.16Å; E385-S387 VanDerWaalsContact C-N 3.32Å
388I94.3Very high95.5Very high121 Ų12142.7 Ų42.762%0.62124%0.235SC*.Hα-helixtrans-68.8-44.3179.3-68.6166.7000111R384 E385 L386 G390R384-I388 HydrophobicContact CG-CD1 3.88Å; R384-I388 WeakPolarHBondContact O-CG1 3.31Å; R384-I388 PolarHBondContact O-N 3.49Å; E385-I388 PolarHBondContact O-N 3.06Å; L386-I388 VanDerWaalsContact C-N 3.35Å; L386-I388 PolarHBondContact O-N 3.47Å; I388-G390 PolarHBondContact O-N 3.14Å
389A90.9Very high95.5Very high46 Ų4642.4 Ų42.438%0.3823%0.233SC..Hα-helixtrans-63.4-29-177.500000112.6W332 E385 L386 R391W332-A389 HydrophobicContact CH2-CB 3.98Å; W332-A389 HydrophobicContact CZ2-CB 4.04Å; E385-A389 WeakPolarHBondContact O-CB 3.35Å; E385-A389 PolarHBondContact O-N 3.43Å; L386-A389 PolarHBondContact O-N 2.93Å; A389-R391 PolarHBondContact O-N 3.17Å
390G86.4Confident95.6Very high63 Ų6341.8 Ų41.865%0.64923%0.229SC*.SBendtrans70.6-35.9-178.300000114.1L386 I388L386-G390 PolarHBondContact O-N 2.79Å; I388-G390 PolarHBondContact O-N 3.14Å
391R88.9Confident95.5Very high169 Ų16942.1 Ų42.164%0.63822%0.224SC*.SBendtrans-97.9152.5169.6-171.8176.8-179170.9-0.2110.4E330 A389E330-R391 IonicContact OE2-NE 3.98Å; A389-R391 PolarHBondContact O-N 3.17Å
392R93.9Very high95.5Very high51 Ų5142.1 Ų42.119%0.19223%0.225CC..PPolyproline II helixtrans-102.3132.6177.9-62.3-62-177.1-10210.4110L386 E413 Q441L386-R392 PolarHBondContact O-NH1 3.44Å; R392-E413 IonicContact CZ-OE1 3.02Å; R392-E413 IonicContact CZ-OE2 3.76Å; R392-E413 VanDerWaalsContact NE-CD 3.35Å; R392-E413 IonicContact NE-OE1 2.92Å; R392-E413 IonicContact NE-OE2 3.9Å; R392-E413 PolarHBondContact NE-OE2 2.95Å; R392-E413 IonicContact NH2-OE1 3.23Å; R392-E413 PolarHBondContact NH2-OE1 3.11Å; R392-E413 IonicContact NH2-OE2 3.96Å; R392-E413 PolarHBondContact NH2-OE2 3.28Å; R392-Q441 VanDerWaalsContact CG-NE2 3.31Å
393P96.3Very high95.5Very high0 Ų042.1 Ų42.10%023%0.225CC..PPolyproline II helixtrans-63.4142.5173.628.1-36.6000110.2E330 W332 L386 H395 I396 Y415E330-P393 HydrophobicContact CB-CB 4.46Å; E330-P393 HydrophobicContact CG-CB 4.02Å; W332-P393 HydrophobicContact CB-CB 4.28Å; W332-P393 HydrophobicContact CB-CG 4.23Å; W332-P393 VanDerWaalsContact CD1-CB 3.49Å; W332-P393 HydrophobicContact CD2-CB 4.01Å; W332-P393 HydrophobicContact CD2-CG 3.59Å; W332-P393 HydrophobicContact CE3-CG 3.99Å; W332-P393 HydrophobicContact CG-CB 3.69Å; W332-P393 HydrophobicContact CG-CG 3.7Å; W332-P393 HydrophobicContact CZ2-CG 4.44Å; L386-P393 HydrophobicContact CD2-CG 4.44Å; P393-H395 VanDerWaalsContact C-N 3.27Å; P393-H395 PolarHBondContact O-N 2.98Å; P393-I396 HydrophobicContact CG-CD1 4.19Å; P393-I396 HydrophobicContact CG-CG1 3.91Å; P393-Y415 WeakPolarHBondContact CD-OH 3.3Å; P393-Y415 WeakPolarHBondContact CG-OH 3.38Å; P393-Y415 WeakPolarHBondContact O-CE1 3.4Å; P393-Y415 PolarHBondContact O-OH 3.17Å
394T96.2Very high95.5Very high33 Ų3342.5 Ų42.520%0.20224%0.235CC..SBendtrans-66-34.7177.560.10000111.9V329 E330 E440 Q441V329-T394 WeakPolarHBondContact CA-OG1 3.37Å; V329-T394 WeakPolarHBondContact CB-OG1 3.33Å; E330-T394 PolarHBondContact N-OG1 3.23Å; E330-T394 PolarHBondContact O-N 3.31Å; E330-T394 PolarHBondContact O-OG1 3.36Å; T394-E440 VanDerWaalsContact O-CA 3.31Å; T394-E440 WeakPolarHBondContact O-CA 3.49Å; T394-Q441 PolarHBondContact O-N 3.02Å
395H97.7Very high95.5Very high1 Ų142.5 Ų42.51%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-130.2135.6-174.7-68.474.6000110.7L320 E330 I331 W332 P393 Y439 E440L320-H395 HydrophobicContact CD2-CB 4.4Å; E330-H395 PolarHBondContact O-N 2.82Å; I331-H395 WeakPolarHBondContact CA-O 3.33Å; I331-H395 HydrophobicContact CG1-CB 4.26Å; W332-H395 PolarHBondContact N-O 3.09Å; P393-H395 VanDerWaalsContact C-N 3.27Å; P393-H395 PolarHBondContact O-N 2.98Å; H395-Y439 CarbonylContact C-O 3.49Å; H395-Y439 VanDerWaalsContact CA-O 3.28Å; H395-Y439 WeakPolarHBondContact CA-O 3.41Å; H395-E440 IonicContact CE1-OE1 3.09Å
396I98.4Very high95.5Very high0 Ų041.4 Ų41.40%024%0.237CC..EExtended strand (participates in β ladder)trans-120.1126.9170.6-64177.4000108.5W332 L334 P393 I398 F410 Y415 V438 Y439W332-I396 HydrophobicContact CB-CG1 4.49Å; W332-I396 WeakPolarHBondContact O-CA 3.31Å; L334-I396 HydrophobicContact CB-CG2 4.49Å; L334-I396 HydrophobicContact CD1-CG2 3.59Å; L334-I396 HydrophobicContact CG-CG2 3.92Å; P393-I396 HydrophobicContact CG-CD1 4.19Å; P393-I396 HydrophobicContact CG-CG1 3.91Å; I396-I398 HydrophobicContact CG2-CB 4.46Å; I396-F410 HydrophobicContact CB-CZ 4.47Å; I396-F410 HydrophobicContact CD1-CD1 4.47Å; I396-F410 HydrophobicContact CD1-CE1 3.71Å; I396-F410 HydrophobicContact CD1-CZ 4.44Å; I396-F410 HydrophobicContact CG2-CE1 4.15Å; I396-F410 HydrophobicContact CG2-CZ 3.85Å; I396-Y415 HydrophobicContact CD1-CD1 4.08Å; I396-Y415 HydrophobicContact CD1-CD2 4.38Å; I396-Y415 HydrophobicContact CD1-CE1 3.59Å; I396-Y415 HydrophobicContact CD1-CE2 3.93Å; I396-Y415 HydrophobicContact CD1-CG 4.44Å; I396-Y415 HydrophobicContact CG1-CD1 4.39Å; I396-Y415 HydrophobicContact CG1-CE1 3.83Å; I396-V438 WeakPolarHBondContact O-CA 3.43Å; I396-Y439 PolarHBondContact N-O 3.09Å; I396-Y439 PolarHBondContact O-N 2.87Å
397V98.5Very high95.6Very high0 Ų042.7 Ų42.70%025%0.248CC..EExtended strand (participates in β ladder)trans-106.2126.3174.9-170.10000108.5V316 L320 I331 W332 Y333 L334 M335 I436V316-V397 HydrophobicContact CG1-CG1 4.36Å; V316-V397 HydrophobicContact CG2-CG1 3.77Å; V316-V397 HydrophobicContact CG2-CG2 4.41Å; L320-V397 HydrophobicContact CD1-CG2 3.52Å; I331-V397 HydrophobicContact CG2-CG2 4.06Å; W332-V397 PolarHBondContact O-N 3.13Å; Y333-V397 HydrophobicContact CD1-CB 3.75Å; Y333-V397 HydrophobicContact CD1-CG1 4.05Å; Y333-V397 HydrophobicContact CD1-CG2 3.87Å; Y333-V397 HydrophobicContact CE1-CB 4.19Å; Y333-V397 HydrophobicContact CE1-CG1 4.34Å; Y333-V397 HydrophobicContact CE1-CG2 3.85Å; Y333-V397 HydrophobicContact CG-CB 4.46Å; L334-V397 PolarHBondContact N-O 2.76Å; M335-V397 HydrophobicContact SD-CG1 3.69Å; V397-I436 HydrophobicContact CG1-CG2 3.64Å
398I98.3Very high95.8Very high0 Ų043.3 Ų43.30%024%0.244CC..EExtended strand (participates in β ladder)trans-152.8150.2-172.5-172.2161.2000110.7L334 F374 I396 T402 A403 V406 F410 E437 Y439L334-I398 HydrophobicContact CB-CB 4.34Å; L334-I398 HydrophobicContact CB-CD1 4.1Å; L334-I398 HydrophobicContact CB-CG1 4.28Å; L334-I398 HydrophobicContact CD1-CD1 4.37Å; F374-I398 HydrophobicContact CZ-CD1 4.22Å; I396-I398 HydrophobicContact CG2-CB 4.46Å; I398-T402 HydrophobicContact CD1-CG2 3.94Å; I398-T402 HydrophobicContact CG1-CG2 4.32Å; I398-A403 HydrophobicContact CG1-CB 4.4Å; I398-A403 HydrophobicContact CG2-CB 3.76Å; I398-V406 HydrophobicContact CD1-CG2 3.82Å; I398-F410 HydrophobicContact CD1-CZ 4.37Å; I398-F410 HydrophobicContact CG2-CE2 4.25Å; I398-F410 HydrophobicContact CG2-CZ 4.25Å; I398-E437 HydrophobicContact CG2-CB 4.44Å; I398-E437 PolarHBondContact N-O 3.1Å; I398-E437 PolarHBondContact O-N 3Å; I398-Y439 HydrophobicContact CG2-CD2 3.93Å; I398-Y439 HydrophobicContact CG2-CE2 3.92Å
399Y98.2Very high95.9Very high4 Ų437.7 Ų37.72%0.01622%0.216CC..EExtended strand (participates in β ladder)trans-70.6139.8170.2-78.3-57.8000111.2M335 P336 K401 T402 A403 N423 R431 E432 I436M335-Y399 HydrophobicContact CB-CE2 4.38Å; M335-Y399 HydrophobicContact CE-CD1 4.21Å; M335-Y399 HydrophobicContact CE-CD2 4.09Å; M335-Y399 HydrophobicContact CE-CE1 3.64Å; M335-Y399 HydrophobicContact CE-CE2 3.54Å; M335-Y399 HydrophobicContact CE-CG 4.41Å; M335-Y399 WeakPolarHBondContact CE-OH 3.48Å; M335-Y399 HydrophobicContact CG-CD2 4.32Å; M335-Y399 HydrophobicContact CG-CE2 4.45Å; P336-Y399 HydrophobicContact CG-CE2 4.34Å; Y399-K401 VanDerWaalsContact C-N 3.25Å; Y399-K401 PolarHBondContact O-N 3.17Å; Y399-K401 VanDerWaalsContact O-N 3.15Å; Y399-T402 PolarHBondContact O-N 3.05Å; Y399-A403 PolarHBondContact O-N 3.43Å; Y399-N423 WeakPolarHBondContact CE1-ND2 3.38Å; Y399-R431 WeakPolarHBondContact CD2-O 3.29Å; Y399-R431 WeakPolarHBondContact CE2-O 3.37Å; Y399-E432 HydrophobicContact CE2-CB 4.33Å; Y399-E432 HydrophobicContact CE2-CG 4.03Å; Y399-I436 HydrophobicContact CD1-CD1 4.42Å; Y399-I436 HydrophobicContact CD1-CG1 3.51Å; Y399-I436 HydrophobicContact CE1-CD1 3.79Å; Y399-I436 HydrophobicContact CE1-CG1 3.35Å
400A97.6Very high96.2Very high17 Ų1735.7 Ų35.714%0.1420%0.198CC..Hα-helixtrans-55-38.2-175.400000113.6T402 A403 S404 E435 E437A400-T402 PolarHBondContact O-N 3.1Å; A400-A403 WeakPolarHBondContact O-CB 3.44Å; A400-A403 PolarHBondContact O-N 2.83Å; A400-S404 PolarHBondContact O-N 2.66Å; A400-S404 VanDerWaalsContact O-N 3.14Å; A400-E435 HydrophobicContact CB-CB 3.99Å; A400-E435 PolarHBondContact N-O 3.23Å; A400-E437 HydrophobicContact CB-CG 3.91Å
401K95.7Very high96.7Very high87 Ų8740.5 Ų40.538%0.37820%0.197SC..Hα-helixtrans-57.1-48.3174.6-174.9177.9175.5-171.20111.6Y399 S404 D430 S433Y399-K401 VanDerWaalsContact C-N 3.25Å; Y399-K401 PolarHBondContact O-N 3.17Å; Y399-K401 VanDerWaalsContact O-N 3.15Å; K401-S404 PolarHBondContact O-OG 3.47Å; K401-D430 WeakPolarHBondContact CD-O 3.34Å; K401-D430 VanDerWaalsContact NZ-CA 3.33Å; K401-D430 PolarHBondContact NZ-O 3.22Å; K401-D430 VanDerWaalsContact NZ-O 3.09Å; K401-D430 IonicContact NZ-OD1 3.51Å; K401-D430 PolarHBondContact NZ-OD1 3.31Å; K401-S433 PolarHBondContact N-OG 3.1Å
402T96.7Very high97Very high6 Ų638.7 Ų38.74%0.03719%0.193CC..Hα-helixtrans-73.8-34.4179-44.40000112F374 P378 I398 Y399 A400 S404 L405 V406F374-T402 HydrophobicContact CE1-CG2 3.77Å; F374-T402 HydrophobicContact CZ-CG2 3.81Å; P378-T402 HydrophobicContact CB-CG2 4.05Å; P378-T402 HydrophobicContact CG-CG2 3.96Å; I398-T402 HydrophobicContact CD1-CG2 3.94Å; I398-T402 HydrophobicContact CG1-CG2 4.32Å; Y399-T402 PolarHBondContact O-N 3.05Å; A400-T402 PolarHBondContact O-N 3.1Å; T402-S404 PolarHBondContact O-N 3.34Å; T402-L405 WeakPolarHBondContact O-CB 3.47Å; T402-L405 PolarHBondContact O-N 3.23Å; T402-V406 PolarHBondContact O-N 2.89Å
403A97.6Very high97.1Very high0 Ų037.9 Ų37.90%019%0.192CC..Hα-helixtrans-55.6-39.5175.100000112.3I398 Y399 A400 L405 V406 A407 E437 Y439I398-A403 HydrophobicContact CG1-CB 4.4Å; I398-A403 HydrophobicContact CG2-CB 3.76Å; Y399-A403 PolarHBondContact O-N 3.43Å; A400-A403 WeakPolarHBondContact O-CB 3.44Å; A400-A403 PolarHBondContact O-N 2.83Å; A403-L405 VanDerWaalsContact C-N 3.25Å; A403-L405 PolarHBondContact O-N 3.38Å; A403-V406 WeakPolarHBondContact O-CG2 3.37Å; A403-V406 PolarHBondContact O-N 3.36Å; A403-A407 PolarHBondContact O-N 2.93Å; A403-A407 VanDerWaalsContact O-N 3.1Å; A403-E437 WeakPolarHBondContact CB-OE2 3.44Å; A403-Y439 HydrophobicContact CB-CE2 4Å
404S96.2Very high97Very high81 Ų8142.5 Ų42.557%0.56622%0.216SC*.Hα-helixtrans-61.3-33.1176.377.30000113.2A400 K401 T402A400-S404 PolarHBondContact O-N 2.66Å; A400-S404 VanDerWaalsContact O-N 3.14Å; K401-S404 PolarHBondContact O-OG 3.47Å; T402-S404 PolarHBondContact O-N 3.34Å
405L96.9Very high97.1Very high100 Ų10041.7 Ų41.752%0.52421%0.21SC..Hα-helixtrans-74.5-31.8-179.9-57176.9000112P378 S379 T402 A403P378-L405 HydrophobicContact CG-CB 4.49Å; P378-L405 HydrophobicContact CG-CD1 4.13Å; S379-L405 PolarHBondContact OG-O 3.4Å; T402-L405 WeakPolarHBondContact O-CB 3.47Å; T402-L405 PolarHBondContact O-N 3.23Å; A403-L405 VanDerWaalsContact C-N 3.25Å; A403-L405 PolarHBondContact O-N 3.38Å
406V97.4Very high97.1Very high0 Ų043.5 Ų43.50%022%0.223CC..THydrogen-bonded Turntrans-98.97.3-179.7-58.40000114P378 L382 I398 T402 A403 N408 V409 F410P378-V406 HydrophobicContact CB-CG1 3.44Å; P378-V406 VanDerWaalsContact CB-CG1 3.44Å; L382-V406 HydrophobicContact CD2-CB 4.08Å; L382-V406 HydrophobicContact CD2-CG1 4.26Å; L382-V406 HydrophobicContact CD2-CG2 4.38Å; I398-V406 HydrophobicContact CD1-CG2 3.82Å; T402-V406 PolarHBondContact O-N 2.89Å; A403-V406 WeakPolarHBondContact O-CG2 3.37Å; A403-V406 PolarHBondContact O-N 3.36Å; V406-N408 PolarHBondContact O-N 2.86Å; V406-N408 VanDerWaalsContact O-N 3.11Å; V406-V409 WeakPolarHBondContact O-CA 3.32Å; V406-V409 WeakPolarHBondContact O-CB 3.35Å; V406-V409 PolarHBondContact O-N 3.35Å; V406-F410 HydrophobicContact CG2-CD1 4.39Å; V406-F410 HydrophobicContact CG2-CD2 4.11Å; V406-F410 HydrophobicContact CG2-CE1 3.96Å; V406-F410 HydrophobicContact CG2-CE2 3.66Å; V406-F410 HydrophobicContact CG2-CG 4.46Å; V406-F410 HydrophobicContact CG2-CZ 3.58Å; V406-F410 PolarHBondContact O-N 3.45Å
407A97.5Very high97.1Very high27 Ų2746.9 Ų46.922%0.22324%0.241CC..Hα-helixtrans-57.5-31.9-173.800000113.9A403 R411A403-A407 PolarHBondContact O-N 2.93Å; A403-A407 VanDerWaalsContact O-N 3.1Å; A407-R411 WeakPolarHBondContact O-CG 3.42Å; A407-R411 PolarHBondContact O-N 2.91Å
408N97.6Very high97Very high104 Ų10448.7 Ų48.756%0.55625%0.25SC*.Hα-helixtrans-67-40.7175.1-70.9-20000111.9V406 R411 K412V406-N408 PolarHBondContact O-N 2.86Å; V406-N408 VanDerWaalsContact O-N 3.11Å; N408-R411 PolarHBondContact O-N 2.93Å; N408-R411 PolarHBondContact OD1-NH1 3.21Å; N408-R411 PolarHBondContact OD1-NH2 3.46Å; N408-K412 WeakPolarHBondContact O-CB 3.47Å; N408-K412 PolarHBondContact O-N 3.46Å
409V97.3Very high97Very high3 Ų355.4 Ų55.42%0.01828%0.275CS..Hα-helixtrans-65.6-44.5176.6-174.70000110L382 E383 L386 V406 R411 K412 E413L382-V409 HydrophobicContact CD2-CB 4.23Å; L382-V409 HydrophobicContact CD2-CG1 3.86Å; L382-V409 HydrophobicContact CG-CG1 4Å; E383-V409 HydrophobicContact CG-CB 4.36Å; E383-V409 HydrophobicContact CG-CG1 3.86Å; E383-V409 HydrophobicContact CG-CG2 3.59Å; L386-V409 HydrophobicContact CD1-CG1 4.16Å; V406-V409 WeakPolarHBondContact O-CA 3.32Å; V406-V409 WeakPolarHBondContact O-CB 3.35Å; V406-V409 PolarHBondContact O-N 3.35Å; V409-R411 VanDerWaalsContact C-N 3.34Å; V409-R411 PolarHBondContact O-N 2.92Å; V409-K412 PolarHBondContact O-N 2.98Å; V409-E413 HydrophobicContact CG1-CG 4.19Å; V409-E413 WeakPolarHBondContact O-CB 3.12Å; V409-E413 WeakPolarHBondContact O-CG 3.44Å; V409-E413 PolarHBondContact O-N 3.38Å
410F97.6Very high97Very high4 Ų460.2 Ų60.22%0.01830%0.296CS..Hα-helixtrans-58.9-42.7174.9-72.9-11.1000112.8L382 I396 I398 V406 E413 N414 Y415 Y439L382-F410 HydrophobicContact CD2-CD1 4.23Å; L382-F410 HydrophobicContact CD2-CE1 3.76Å; I396-F410 HydrophobicContact CB-CZ 4.47Å; I396-F410 HydrophobicContact CD1-CD1 4.47Å; I396-F410 HydrophobicContact CD1-CE1 3.71Å; I396-F410 HydrophobicContact CD1-CZ 4.44Å; I396-F410 HydrophobicContact CG2-CE1 4.15Å; I396-F410 HydrophobicContact CG2-CZ 3.85Å; I398-F410 HydrophobicContact CD1-CZ 4.37Å; I398-F410 HydrophobicContact CG2-CE2 4.25Å; I398-F410 HydrophobicContact CG2-CZ 4.25Å; V406-F410 HydrophobicContact CG2-CD1 4.39Å; V406-F410 HydrophobicContact CG2-CD2 4.11Å; V406-F410 HydrophobicContact CG2-CE1 3.96Å; V406-F410 HydrophobicContact CG2-CE2 3.66Å; V406-F410 HydrophobicContact CG2-CG 4.46Å; V406-F410 HydrophobicContact CG2-CZ 3.58Å; V406-F410 PolarHBondContact O-N 3.45Å; F410-E413 PolarHBondContact O-N 3.35Å; F410-N414 PolarHBondContact O-N 2.95Å; F410-N414 VanDerWaalsContact O-N 3.1Å; F410-Y415 HydrophobicContact CD1-CD2 4.13Å; F410-Y415 HydrophobicContact CD1-CG 4.22Å; F410-Y415 PolarHBondContact O-N 2.67Å; F410-Y439 AromaticContact CD2-CD1 3.65Å; F410-Y439 HydrophobicContact CD2-CD1 3.65Å; F410-Y439 HydrophobicContact CD2-CD2 4.15Å; F410-Y439 AromaticContact CD2-CE1 3.54Å; F410-Y439 HydrophobicContact CD2-CE1 3.54Å; F410-Y439 HydrophobicContact CD2-CE2 4.05Å; F410-Y439 AromaticContact CD2-CG 3.95Å; F410-Y439 HydrophobicContact CD2-CG 3.95Å; F410-Y439 AromaticContact CD2-CZ 3.74Å; F410-Y439 AromaticContact CE2-CD1 3.92Å; F410-Y439 HydrophobicContact CE2-CD1 3.92Å; F410-Y439 AromaticContact CE2-CD2 3.55Å; F410-Y439 HydrophobicContact CE2-CD2 3.55Å; F410-Y439 AromaticContact CE2-CE1 3.93Å; F410-Y439 HydrophobicContact CE2-CE1 3.93Å; F410-Y439 AromaticContact CE2-CE2 3.55Å; F410-Y439 HydrophobicContact CE2-CE2 3.55Å; F410-Y439 AromaticContact CE2-CG 3.73Å; F410-Y439 HydrophobicContact CE2-CG 3.73Å; F410-Y439 AromaticContact CE2-CZ 3.74Å; F410-Y439 HydrophobicContact CG-CD1 4.34Å; F410-Y439 HydrophobicContact CG-CE1 4.5Å; F410-Y439 HydrophobicContact CZ-CD2 4.2Å; F410-Y439 HydrophobicContact CZ-CG 4.34Å
411R96.4Very high97Very high164 Ų16461.1 Ų61.162%0.61930%0.297SS*.Hα-helixtrans-63.1-43.8174.6-79.4-174.4-105.9111.62.6112.5A407 N408 V409 E413 N414A407-R411 WeakPolarHBondContact O-CG 3.42Å; A407-R411 PolarHBondContact O-N 2.91Å; N408-R411 PolarHBondContact O-N 2.93Å; N408-R411 PolarHBondContact OD1-NH1 3.21Å; N408-R411 PolarHBondContact OD1-NH2 3.46Å; V409-R411 VanDerWaalsContact C-N 3.34Å; V409-R411 PolarHBondContact O-N 2.92Å; R411-E413 VanDerWaalsContact C-N 3.31Å; R411-E413 PolarHBondContact O-N 2.61Å; R411-N414 PolarHBondContact O-N 3.22Å
412K95.3Very high97.2Very high130 Ų13061.3 Ų61.357%0.56530%0.298SS*.Hα-helixtrans-63.3-37.2178.2176.5179.8167.2-175.30112.4E383 N408 V409E383-K412 IonicContact OE1-NZ 3.38Å; E383-K412 PolarHBondContact OE1-NZ 2.97Å; E383-K412 IonicContact OE2-NZ 3.94Å; N408-K412 WeakPolarHBondContact O-CB 3.47Å; N408-K412 PolarHBondContact O-N 3.46Å; V409-K412 PolarHBondContact O-N 2.98Å
413E95.2Very high97.2Very high34 Ų3461 Ų6116%0.15930%0.296CS..THydrogen-bonded Turntrans-97.612.1-175-62.5-69.4173.400113.3L386 R392 V409 F410 R411 Y415L386-E413 HydrophobicContact CD1-CG 3.97Å; R392-E413 IonicContact CZ-OE1 3.02Å; R392-E413 IonicContact CZ-OE2 3.76Å; R392-E413 VanDerWaalsContact NE-CD 3.35Å; R392-E413 IonicContact NE-OE1 2.92Å; R392-E413 IonicContact NE-OE2 3.9Å; R392-E413 PolarHBondContact NE-OE2 2.95Å; R392-E413 IonicContact NH2-OE1 3.23Å; R392-E413 PolarHBondContact NH2-OE1 3.11Å; R392-E413 IonicContact NH2-OE2 3.96Å; R392-E413 PolarHBondContact NH2-OE2 3.28Å; V409-E413 HydrophobicContact CG1-CG 4.19Å; V409-E413 WeakPolarHBondContact O-CB 3.12Å; V409-E413 WeakPolarHBondContact O-CG 3.44Å; V409-E413 PolarHBondContact O-N 3.38Å; F410-E413 PolarHBondContact O-N 3.35Å; R411-E413 VanDerWaalsContact C-N 3.31Å; R411-E413 PolarHBondContact O-N 2.61Å; E413-Y415 HydrophobicContact CB-CD2 3.73Å; E413-Y415 HydrophobicContact CB-CE2 3.73Å; E413-Y415 PolarHBondContact O-N 3.16Å
414N95.7Very high97.2Very high97 Ų9761 Ų6152%0.51930%0.296SS..THydrogen-bonded Turntrans56.839.4179-65.8-29.7000114.9F410 R411 I442F410-N414 PolarHBondContact O-N 2.95Å; F410-N414 VanDerWaalsContact O-N 3.1Å; R411-N414 PolarHBondContact O-N 3.22Å; N414-I442 PolarHBondContact O-N 2.94Å
415Y97.8Very high97.2Very high16 Ų1660.5 Ų60.56%0.06329%0.291CS..EExtended strand (participates in β ladder)trans-86.6135.9169.9-75-85.7000111.6P393 I396 F410 E413 E440 Q441P393-Y415 WeakPolarHBondContact CD-OH 3.3Å; P393-Y415 WeakPolarHBondContact CG-OH 3.38Å; P393-Y415 WeakPolarHBondContact O-CE1 3.4Å; P393-Y415 PolarHBondContact O-OH 3.17Å; I396-Y415 HydrophobicContact CD1-CD1 4.08Å; I396-Y415 HydrophobicContact CD1-CD2 4.38Å; I396-Y415 HydrophobicContact CD1-CE1 3.59Å; I396-Y415 HydrophobicContact CD1-CE2 3.93Å; I396-Y415 HydrophobicContact CD1-CG 4.44Å; I396-Y415 HydrophobicContact CG1-CD1 4.39Å; I396-Y415 HydrophobicContact CG1-CE1 3.83Å; F410-Y415 HydrophobicContact CD1-CD2 4.13Å; F410-Y415 HydrophobicContact CD1-CG 4.22Å; F410-Y415 PolarHBondContact O-N 2.67Å; E413-Y415 HydrophobicContact CB-CD2 3.73Å; E413-Y415 HydrophobicContact CB-CE2 3.73Å; E413-Y415 PolarHBondContact O-N 3.16Å; Y415-E440 WeakPolarHBondContact CA-O 3.49Å; Y415-Q441 HydrophobicContact CD1-CB 3.98Å; Y415-Q441 HydrophobicContact CE1-CB 3.59Å; Y415-Q441 HydrophobicContact CE1-CG 4.15Å; Y415-Q441 HydrophobicContact CE2-CG 4.4Å
416S97.3Very high97.1Very high40 Ų4062.1 Ų62.128%0.2830%0.295SS..EExtended strand (participates in β ladder)trans-120.9141.2175.266.20000111.3I418 Y439 E440 I442S416-I418 PolarHBondContact O-N 3.05Å; S416-Y439 CarbonylContact O-C 3.49Å; S416-Y439 WeakPolarHBondContact O-CA 3.44Å; S416-E440 PolarHBondContact N-O 3.06Å; S416-E440 PolarHBondContact O-N 3.03Å; S416-E440 PolarHBondContact OG-O 2.91Å; S416-I442 WeakPolarHBondContact OG-CG1 3.33Å
417L98.1Very high97Very high71 Ų7164.6 Ų64.637%0.37231%0.311SS..EExtended strand (participates in β ladder)trans-70121175175.872.2000109.5R419 K420 E437 Y439L417-R419 WeakPolarHBondContact CD1-O 3.21Å; L417-K420 HydrophobicContact CD1-CG 4.1Å; L417-K420 HydrophobicContact CD2-CD 4.18Å; L417-K420 HydrophobicContact CD2-CG 3.92Å; L417-K420 HydrophobicContact CG-CG 4.42Å; L417-E437 HydrophobicContact CD1-CB 3.69Å; L417-E437 HydrophobicContact CD1-CG 4.07Å; L417-Y439 HydrophobicContact CB-CD1 4.12Å; L417-Y439 HydrophobicContact CB-CE1 3.74Å; L417-Y439 HydrophobicContact CD1-CD2 4.31Å; L417-Y439 HydrophobicContact CD1-CE1 4.4Å; L417-Y439 HydrophobicContact CD1-CE2 3.93Å
418I97.1Very high96.5Very high38 Ų3869.4 Ų69.420%0.19533%0.329CS..EExtended strand (participates in β ladder)trans-105.5-31.8-179.956161.4000113.1F319 S416 V438 E440F319-I418 HydrophobicContact CE1-CD1 3.97Å; F319-I418 HydrophobicContact CZ-CD1 3.83Å; S416-I418 PolarHBondContact O-N 3.05Å; I418-V438 HydrophobicContact CD1-CB 4.46Å; I418-V438 HydrophobicContact CD1-CG1 3.82Å; I418-V438 HydrophobicContact CG1-CB 4.14Å; I418-V438 HydrophobicContact CG1-CG1 3.95Å; I418-V438 WeakPolarHBondContact CG1-O 3.37Å; I418-V438 PolarHBondContact N-O 3.23Å; I418-E440 HydrophobicContact CD1-CB 3.94Å; I418-E440 HydrophobicContact CG1-CB 4.21Å; I418-E440 HydrophobicContact CG2-CB 3.57Å
419R97.9Very high96Very high141 Ų14167.4 Ų67.453%0.53233%0.333SS..EExtended strand (participates in β ladder)trans-150.7146.9-177.7-69.7-62.6-179.1-99.25.2111.2F319 L417 F421 V438F319-R419 HydrophobicContact CD2-CG 4.39Å; F319-R419 HydrophobicContact CE2-CG 3.91Å; F319-R419 HydrophobicContact CZ-CG 3.99Å; L417-R419 WeakPolarHBondContact CD1-O 3.21Å; R419-F421 HydrophobicContact CB-CE2 3.71Å; R419-F421 HydrophobicContact CB-CZ 3.98Å; R419-F421 HydrophobicContact CG-CZ 4.4Å; R419-V438 HydrophobicContact CB-CB 4.44Å; R419-V438 PolarHBondContact N-O 3.48Å; R419-V438 PolarHBondContact O-N 2.99Å
420K98.3Very high95.5Very high105 Ų10573.4 Ų73.446%0.45737%0.365SS..EExtended strand (participates in β ladder)trans-122.4141.8168.3-59.7-162.6179.2-149.50109.1L417 E435 I436 E437L417-K420 HydrophobicContact CD1-CG 4.1Å; L417-K420 HydrophobicContact CD2-CD 4.18Å; L417-K420 HydrophobicContact CD2-CG 3.92Å; L417-K420 HydrophobicContact CG-CG 4.42Å; K420-E435 IonicContact NZ-OE2 3.7Å; K420-I436 CarbonylContact C-O 3.45Å; K420-I436 WeakPolarHBondContact CA-O 3.34Å; K420-E437 HydrophobicContact CD-CG 4.4Å; K420-E437 WeakPolarHBondContact CE-OE1 3.5Å; K420-E437 HydrophobicContact CG-CG 4.16Å; K420-E437 IonicContact NZ-OE1 3.88Å; K420-E437 PolarHBondContact NZ-OE1 3.34Å
421F98.4Very high95.2Very high35 Ų3577.5 Ų77.515%0.15438%0.38CS..EExtended strand (participates in β ladder)trans-125.2129.5177.3-61.8-83000109.1D315 V316 F319 R419 N423 E435 I436 V438D315-F421 HydrophobicContact CB-CD1 3.68Å; D315-F421 HydrophobicContact CB-CE1 4.18Å; D315-F421 HydrophobicContact CB-CG 4.39Å; V316-F421 HydrophobicContact CB-CD2 3.93Å; V316-F421 HydrophobicContact CB-CE2 4.17Å; V316-F421 HydrophobicContact CB-CG 4.46Å; V316-F421 HydrophobicContact CG2-CD2 4.05Å; V316-F421 HydrophobicContact CG2-CE2 4.02Å; F319-F421 HydrophobicContact CB-CE1 4.36Å; F319-F421 HydrophobicContact CB-CE2 4.36Å; F319-F421 HydrophobicContact CB-CZ 3.63Å; F319-F421 HydrophobicContact CD1-CE2 4.48Å; F319-F421 HydrophobicContact CD1-CZ 4.34Å; F319-F421 HydrophobicContact CD2-CZ 4.32Å; F319-F421 HydrophobicContact CG-CE2 4.42Å; F319-F421 AromaticContact CG-CZ 3.84Å; F319-F421 HydrophobicContact CG-CZ 3.84Å; R419-F421 HydrophobicContact CB-CE2 3.71Å; R419-F421 HydrophobicContact CB-CZ 3.98Å; R419-F421 HydrophobicContact CG-CZ 4.4Å; F421-N423 PolarHBondContact O-N 3.46Å; F421-E435 CarbonylContact O-C 3.58Å; F421-E435 VanDerWaalsContact O-CA 3.27Å; F421-E435 WeakPolarHBondContact O-CA 3.24Å; F421-I436 PolarHBondContact N-O 3.11Å; F421-I436 PolarHBondContact O-N 2.82Å; F421-V438 HydrophobicContact CD2-CG2 4.27Å; F421-V438 HydrophobicContact CE2-CG2 3.83Å
422F98.3Very high95.1Very high92 Ų9271.3 Ų71.340%0.40436%0.358SS..EExtended strand (participates in β ladder)trans-62.8128.8168.8170.7-95.3000109.3I308 G312I308-F422 HydrophobicContact CG2-CE1 3.67Å; I308-F422 HydrophobicContact CG2-CZ 4.03Å; I308-F422 WeakPolarHBondContact O-CE1 3.36Å; G312-F422 WeakPolarHBondContact CA-O 3.39Å; G312-F422 PolarHBondContact N-O 3.1Å
423N98Very high95.1Very high0 Ų065.9 Ų65.90%034%0.336CS..  trans-103.3-61.3-179.6-175.244.7000112.1Q310 R311 Y399 F421 S433 T434 I436Q310-N423 CarbonylContact C-O 3.58Å; Q310-N423 WeakPolarHBondContact CA-O 3.42Å; Q310-N423 WeakPolarHBondContact CA-OD1 3.49Å; Q310-N423 PolarHBondContact N-O 2.91Å; R311-N423 PolarHBondContact N-O 3.46Å; Y399-N423 WeakPolarHBondContact CE1-ND2 3.38Å; F421-N423 PolarHBondContact O-N 3.46Å; N423-S433 PolarHBondContact ND2-O 3.33Å; N423-S433 VanDerWaalsContact ND2-O 3.1Å; N423-T434 WeakPolarHBondContact CA-O 3.25Å; N423-T434 WeakPolarHBondContact CB-O 3.37Å; N423-T434 PolarHBondContact N-O 3.31Å; N423-I436 HydrophobicContact CB-CD1 4.14Å; N423-I436 HydrophobicContact CB-CG1 4.13Å
424T97.3Very high95.3Very high0 Ų067.2 Ų67.20%035%0.347CS..  trans-161.3151.7-172.3-179.90000111.4H309 F426 P427 T434H309-T424 PolarHBondContact CE1-OG1 3.45Å; H309-T424 VanDerWaalsContact CE1-OG1 3.26Å; H309-T424 PolarHBondContact ND1-OG1 3.46Å; T424-F426 VanDerWaalsContact C-N 3.31Å; T424-F426 PolarHBondContact OG1-N 2.92Å; T424-F426 PolarHBondContact OG1-O 2.86Å; T424-P427 HydrophobicContact CG2-CB 4.14Å; T424-T434 PolarHBondContact N-O 3.18Å; T424-T434 VanDerWaalsContact O-CA 3.25Å; T424-T434 WeakPolarHBondContact O-CA 3.36Å; T424-T434 WeakPolarHBondContact O-CB 3.39Å; T424-T434 WeakPolarHBondContact O-CG2 3.23Å
425C96.3Very high95.4Very high69 Ų6966 Ų6647%0.46634%0.338SS..SBendtrans-79.5-16.5167.1-58.80000112.9
426F95.2Very high95.4Very high134 Ų13465.2 Ų65.259%0.58834%0.335SS*.SBendtrans-130.378.3-173.8-53.6-75.5000109.4F304 T424F304-F426 HydrophobicContact CE1-CD2 4.09Å; F304-F426 HydrophobicContact CE1-CE2 4.11Å; F304-F426 HydrophobicContact CE2-CE2 4.34Å; F304-F426 AromaticContact CZ-CD2 3.66Å; F304-F426 HydrophobicContact CZ-CD2 3.66Å; F304-F426 AromaticContact CZ-CE2 3.59Å; F304-F426 HydrophobicContact CZ-CE2 3.59Å; T424-F426 VanDerWaalsContact C-N 3.31Å; T424-F426 PolarHBondContact OG1-N 2.92Å; T424-F426 PolarHBondContact OG1-O 2.86Å
427P94Very high95.5Very high53 Ų5363.9 Ų63.934%0.34432%0.324SS..  trans-66.5140.3173.927.4-32.9000110.5T424 E432 T434T424-P427 HydrophobicContact CG2-CB 4.14Å; P427-E432 HydrophobicContact CB-CB 3.88Å; P427-T434 HydrophobicContact CG-CG2 4.3Å
428Q87.4Confident95.5Very high127 Ų12760.5 Ų60.559%0.59331%0.307SS*.  trans-93.2117.2179-62.4-172.38.800111.2E432Q428-E432 PolarHBondContact N-OE2 3.32Å
429G86.7Confident95.6Very high62 Ų6260.1 Ų60.164%0.63930%0.303SS*.SBendtrans66.4-163.1177.500000113.8
430D87.2Confident95.5Very high130 Ų13056 Ų5670%0.69529%0.29SS*.SBendtrans-86-13.4-171.4-78.5-48.5000115.3K401K401-D430 WeakPolarHBondContact CD-O 3.34Å; K401-D430 VanDerWaalsContact NZ-CA 3.33Å; K401-D430 PolarHBondContact NZ-O 3.22Å; K401-D430 VanDerWaalsContact NZ-O 3.09Å; K401-D430 IonicContact NZ-OD1 3.51Å; K401-D430 PolarHBondContact NZ-OD1 3.31Å
431R91.5Very high95.4Very high90 Ų9053.2 Ų53.234%0.3428%0.278SS..SBendtrans-97.9-3.9-172.2-55.3-177.4-175.4175.9-1.6113.9P336 D372 H375 Y399P336-R431 HydrophobicContact CG-CB 3.85Å; D372-R431 IonicContact OD1-CZ 2.75Å; D372-R431 IonicContact OD1-NH1 3.67Å; D372-R431 PolarHBondContact OD1-NH1 3.4Å; D372-R431 IonicContact OD1-NH2 3.2Å; D372-R431 PolarHBondContact OD1-NH2 2.91Å; D372-R431 IonicContact OD2-NH2 2.85Å; D372-R431 PolarHBondContact OD2-NH2 2.77Å; H375-R431 HydrophobicContact CB-CG 4.23Å; Y399-R431 WeakPolarHBondContact CD2-O 3.29Å; Y399-R431 WeakPolarHBondContact CE2-O 3.37Å
432E94.1Very high95Very high34 Ų3455.9 Ų55.916%0.15929%0.294CS..  trans-108163.1173.9-67.7-170.6176.500111Y399 P427 Q428Y399-E432 HydrophobicContact CE2-CB 4.33Å; Y399-E432 HydrophobicContact CE2-CG 4.03Å; P427-E432 HydrophobicContact CB-CB 3.88Å; Q428-E432 PolarHBondContact N-OE2 3.32Å
433S96.5Very high94.1Very high15 Ų1556.7 Ų56.711%0.10531%0.306CS..  trans-142.5165.1175.4-166.60000111.3K401 N423 E435K401-S433 PolarHBondContact N-OG 3.1Å; N423-S433 PolarHBondContact ND2-O 3.33Å; N423-S433 VanDerWaalsContact ND2-O 3.1Å; S433-E435 PolarHBondContact O-N 3.35Å
434T97.6Very high92.1Very high63 Ų6361 Ų6139%0.38734%0.336SS..SBendtrans-66.2-20.1174.853.50000112.3N423 T424 P427N423-T434 WeakPolarHBondContact CA-O 3.25Å; N423-T434 WeakPolarHBondContact CB-O 3.37Å; N423-T434 PolarHBondContact N-O 3.31Å; T424-T434 PolarHBondContact N-O 3.18Å; T424-T434 VanDerWaalsContact O-CA 3.25Å; T424-T434 WeakPolarHBondContact O-CA 3.36Å; T424-T434 WeakPolarHBondContact O-CB 3.39Å; T424-T434 WeakPolarHBondContact O-CG2 3.23Å; P427-T434 HydrophobicContact CG-CG2 4.3Å
435E98.2Very high89.8Confident70 Ų7066.3 Ų66.333%0.32737%0.37SS..EExtended strand (participates in β ladder)trans-134.3145.9-177.7-60.7-176.8152.800111.6A400 K420 F421 S433A400-E435 HydrophobicContact CB-CB 3.99Å; A400-E435 PolarHBondContact N-O 3.23Å; K420-E435 IonicContact NZ-OE2 3.7Å; F421-E435 CarbonylContact O-C 3.58Å; F421-E435 VanDerWaalsContact O-CA 3.27Å; F421-E435 WeakPolarHBondContact O-CA 3.24Å; S433-E435 PolarHBondContact O-N 3.35Å
436I98.6Very high86.9Confident0 Ų069.6 Ų69.60%038%0.383CS..EExtended strand (participates in β ladder)trans-108132.8168-65.9162.8000108.1V313 V316 M335 V397 Y399 K420 F421 N423V313-I436 HydrophobicContact CG2-CD1 3.83Å; V316-I436 HydrophobicContact CB-CG2 4.29Å; V316-I436 HydrophobicContact CG1-CG2 4.28Å; V316-I436 HydrophobicContact CG2-CG2 4.19Å; M335-I436 HydrophobicContact CE-CD1 3.7Å; M335-I436 HydrophobicContact CE-CG1 3.95Å; M335-I436 HydrophobicContact SD-CG2 4.43Å; V397-I436 HydrophobicContact CG1-CG2 3.64Å; Y399-I436 HydrophobicContact CD1-CD1 4.42Å; Y399-I436 HydrophobicContact CD1-CG1 3.51Å; Y399-I436 HydrophobicContact CE1-CD1 3.79Å; Y399-I436 HydrophobicContact CE1-CG1 3.35Å; K420-I436 CarbonylContact C-O 3.45Å; K420-I436 WeakPolarHBondContact CA-O 3.34Å; F421-I436 PolarHBondContact N-O 3.11Å; F421-I436 PolarHBondContact O-N 2.82Å; N423-I436 HydrophobicContact CB-CD1 4.14Å; N423-I436 HydrophobicContact CB-CG1 4.13Å
437E98.7Very high83.9Confident12 Ų1275.2 Ų75.26%0.05640%0.401CS..EExtended strand (participates in β ladder)trans-113141.6-177.9-62.1-170.5153.200110.3I398 A400 A403 L417 K420 Y439I398-E437 HydrophobicContact CG2-CB 4.44Å; I398-E437 PolarHBondContact N-O 3.1Å; I398-E437 PolarHBondContact O-N 3Å; A400-E437 HydrophobicContact CB-CG 3.91Å; A403-E437 WeakPolarHBondContact CB-OE2 3.44Å; L417-E437 HydrophobicContact CD1-CB 3.69Å; L417-E437 HydrophobicContact CD1-CG 4.07Å; K420-E437 HydrophobicContact CD-CG 4.4Å; K420-E437 WeakPolarHBondContact CE-OE1 3.5Å; K420-E437 HydrophobicContact CG-CG 4.16Å; K420-E437 IonicContact NZ-OE1 3.88Å; K420-E437 PolarHBondContact NZ-OE1 3.34Å; E437-Y439 HydrophobicContact CB-CD2 4.23Å; E437-Y439 HydrophobicContact CB-CE2 3.68Å; E437-Y439 WeakPolarHBondContact OE2-CE2 3.45Å; E437-Y439 PolarHBondContact OE2-OH 2.78Å
438V98.5Very high81.2Confident0 Ų082.4 Ų82.40%044%0.444CS..EExtended strand (participates in β ladder)trans-115.8123.2173.3-174.80000108.7V316 F319 I396 I418 R419 F421V316-V438 HydrophobicContact CG2-CG2 3.39Å; F319-V438 HydrophobicContact CE1-CG1 4.14Å; I396-V438 WeakPolarHBondContact O-CA 3.43Å; I418-V438 HydrophobicContact CD1-CB 4.46Å; I418-V438 HydrophobicContact CD1-CG1 3.82Å; I418-V438 HydrophobicContact CG1-CB 4.14Å; I418-V438 HydrophobicContact CG1-CG1 3.95Å; I418-V438 WeakPolarHBondContact CG1-O 3.37Å; I418-V438 PolarHBondContact N-O 3.23Å; R419-V438 HydrophobicContact CB-CB 4.44Å; R419-V438 PolarHBondContact N-O 3.48Å; R419-V438 PolarHBondContact O-N 2.99Å; F421-V438 HydrophobicContact CD2-CG2 4.27Å; F421-V438 HydrophobicContact CE2-CG2 3.83Å
439Y98.4Very high80.9Confident30 Ų3080.2 Ų80.212%0.11844%0.436CS..EExtended strand (participates in β ladder)trans-107.6137.4176.4-72.5-99.4000110.2H395 I396 I398 A403 F410 S416 L417 E437H395-Y439 CarbonylContact C-O 3.49Å; H395-Y439 VanDerWaalsContact CA-O 3.28Å; H395-Y439 WeakPolarHBondContact CA-O 3.41Å; I396-Y439 PolarHBondContact N-O 3.09Å; I396-Y439 PolarHBondContact O-N 2.87Å; I398-Y439 HydrophobicContact CG2-CD2 3.93Å; I398-Y439 HydrophobicContact CG2-CE2 3.92Å; A403-Y439 HydrophobicContact CB-CE2 4Å; F410-Y439 AromaticContact CD2-CD1 3.65Å; F410-Y439 HydrophobicContact CD2-CD1 3.65Å; F410-Y439 HydrophobicContact CD2-CD2 4.15Å; F410-Y439 AromaticContact CD2-CE1 3.54Å; F410-Y439 HydrophobicContact CD2-CE1 3.54Å; F410-Y439 HydrophobicContact CD2-CE2 4.05Å; F410-Y439 AromaticContact CD2-CG 3.95Å; F410-Y439 HydrophobicContact CD2-CG 3.95Å; F410-Y439 AromaticContact CD2-CZ 3.74Å; F410-Y439 AromaticContact CE2-CD1 3.92Å; F410-Y439 HydrophobicContact CE2-CD1 3.92Å; F410-Y439 AromaticContact CE2-CD2 3.55Å; F410-Y439 HydrophobicContact CE2-CD2 3.55Å; F410-Y439 AromaticContact CE2-CE1 3.93Å; F410-Y439 HydrophobicContact CE2-CE1 3.93Å; F410-Y439 AromaticContact CE2-CE2 3.55Å; F410-Y439 HydrophobicContact CE2-CE2 3.55Å; F410-Y439 AromaticContact CE2-CG 3.73Å; F410-Y439 HydrophobicContact CE2-CG 3.73Å; F410-Y439 AromaticContact CE2-CZ 3.74Å; F410-Y439 HydrophobicContact CG-CD1 4.34Å; F410-Y439 HydrophobicContact CG-CE1 4.5Å; F410-Y439 HydrophobicContact CZ-CD2 4.2Å; F410-Y439 HydrophobicContact CZ-CG 4.34Å; S416-Y439 CarbonylContact O-C 3.49Å; S416-Y439 WeakPolarHBondContact O-CA 3.44Å; L417-Y439 HydrophobicContact CB-CD1 4.12Å; L417-Y439 HydrophobicContact CB-CE1 3.74Å; L417-Y439 HydrophobicContact CD1-CD2 4.31Å; L417-Y439 HydrophobicContact CD1-CE1 4.4Å; L417-Y439 HydrophobicContact CD1-CE2 3.93Å; E437-Y439 HydrophobicContact CB-CD2 4.23Å; E437-Y439 HydrophobicContact CB-CE2 3.68Å; E437-Y439 WeakPolarHBondContact OE2-CE2 3.45Å; E437-Y439 PolarHBondContact OE2-OH 2.78Å
440E97Very high80.6Confident56 Ų5681.1 Ų81.126%0.26243%0.426SS..EExtended strand (participates in β ladder)trans-113137174.6-169.2173.1-163.400109.6R327 T394 H395 Y415 S416 I418 I442R327-E440 IonicContact NH1-OE1 3.2Å; R327-E440 PolarHBondContact NH1-OE1 3.28Å; T394-E440 VanDerWaalsContact O-CA 3.31Å; T394-E440 WeakPolarHBondContact O-CA 3.49Å; H395-E440 IonicContact CE1-OE1 3.09Å; Y415-E440 WeakPolarHBondContact CA-O 3.49Å; S416-E440 PolarHBondContact N-O 3.06Å; S416-E440 PolarHBondContact O-N 3.03Å; S416-E440 PolarHBondContact OG-O 2.91Å; I418-E440 HydrophobicContact CD1-CB 3.94Å; I418-E440 HydrophobicContact CG1-CB 4.21Å; I418-E440 HydrophobicContact CG2-CB 3.57Å; E440-I442 PolarHBondContact O-N 3.23Å
441Q95.6Very high80.2Confident45 Ų4578.4 Ų78.421%0.2141%0.411CS..EExtended strand (participates in β ladder)trans-73.2120174.9-163.2-16915.400110.4R392 T394 Y415 T443R392-Q441 VanDerWaalsContact CG-NE2 3.31Å; T394-Q441 PolarHBondContact O-N 3.02Å; Y415-Q441 HydrophobicContact CD1-CB 3.98Å; Y415-Q441 HydrophobicContact CE1-CB 3.59Å; Y415-Q441 HydrophobicContact CE1-CG 4.15Å; Y415-Q441 HydrophobicContact CE2-CG 4.4Å; Q441-T443 PolarHBondContact O-N 3.46Å; Q441-T443 VanDerWaalsContact O-N 3.14Å
442I89.8Confident79.5Confident92 Ų9277.7 Ų77.747%0.47242%0.415SS..  trans-77.2102.9172.2-56.8171.3000107.8N414 S416 E440 S444N414-I442 PolarHBondContact O-N 2.94Å; S416-I442 WeakPolarHBondContact OG-CG1 3.33Å; E440-I442 PolarHBondContact O-N 3.23Å; I442-S444 PolarHBondContact O-N 2.85Å
443T79.9Confident78.6Confident108 Ų10880.4 Ų80.466%0.66343%0.431SS*.  trans-80.8112.9162.449.60000107.3Q441 P445Q441-T443 PolarHBondContact O-N 3.46Å; Q441-T443 VanDerWaalsContact O-N 3.14Å; T443-P445 VanDerWaalsContact O-CD 3.28Å; T443-P445 WeakPolarHBondContact O-CD 3.45Å
444S56Low77.4Confident91 Ų9184.8 Ų84.864%0.63645%0.453SS*.  trans-60122167.5-83.70000107.7I442 N446I442-S444 PolarHBondContact O-N 2.85Å; S444-N446 PolarHBondContact O-N 3.03Å
445P48.9Very low76Confident111 Ų11186.4 Ų86.472%0.72146%0.457SS*.SBendtrans-66.3118.9163.628-26.7000105.5T443T443-P445 VanDerWaalsContact O-CD 3.28Å; T443-P445 WeakPolarHBondContact O-CD 3.45Å
446N36.3Very low74.3Confident138 Ų13887.6 Ų87.674%0.73847%0.467SS*.  trans99.776.4-179.6-49.2-22.7000116.1S444S444-N446 PolarHBondContact O-N 3.03Å
447R32.3Very low72.2Confident253 Ų25394.9 Ų94.996%0.95551%0.506SS*.  -128.577.5126.9-81.5-171.7179.6-178.90.4107.5
448T35.7Very low69.8Low203 Ų203102.5 Ų102.5100%1.24555%0.547SS*.  trans-84.50154.942.30000108.7

Retrieved 448 of 448 residues in 1264.6 ms (Link to these results)

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