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Probable quinol oxidase subunit 2

Catalyzes quinol oxidation with the concomitant reduction of oxygen to water. Subunit II transfers the electrons from a quinol to the binuclear center of the catalytic subunit I (By similarity).

AlphaFold DB (Q2FZJ9), UniProt , Accession Q99V36, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene qoxA, Length 366 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
1M56.7Low70.8Confident206 Ų206135 Ų135100%1.01568%0.677SS**  0-34.20-69.5-178-174.600114.6F4 K5M1-F4 PolarHBondContact O-N 3.02Å; M1-K5 PolarHBondContact O-N 3.23Å
2S64Low71.2Confident99 Ų99126.3 Ų126.369%0.69265%0.648SS**Hα-helixtrans-61-45.7178.6168.40000114.1F4 K5 S6S2-F4 VanDerWaalsContact C-N 3.3Å; S2-F4 PolarHBondContact O-N 3.03Å; S2-K5 PolarHBondContact O-N 2.92Å; S2-S6 PolarHBondContact O-N 2.96Å
3K65.6Low71.5Confident189 Ų189122.2 Ų122.282%0.82263%0.632SS**Hα-helixtrans-61.4-33.4-179.6-63.7-165.5176.5-174.70113.9L7K3-L7 WeakPolarHBondContact O-CB 3.32Å; K3-L7 PolarHBondContact O-N 2.92Å; K3-L7 VanDerWaalsContact O-N 3.09Å
4F71.9Confident71.5Confident154 Ų154121.3 Ų121.368%0.67563%0.628SS**Hα-helixtrans-74.6-37.1179.1-148.3-92.3000112.1M1 S2 L7 L8M1-F4 PolarHBondContact O-N 3.02Å; S2-F4 VanDerWaalsContact C-N 3.3Å; S2-F4 PolarHBondContact O-N 3.03Å; F4-L7 PolarHBondContact O-N 3.16Å; F4-L8 WeakPolarHBondContact O-CB 3.43Å; F4-L8 PolarHBondContact O-N 3.48Å
5K72.9Confident71.5Confident155 Ų155120.1 Ų120.167%0.67462%0.621SS**Hα-helixtrans-65-40.6172.9-69-174.4178.5-173.70111.8M1 S2 L8 L9M1-K5 PolarHBondContact O-N 3.23Å; S2-K5 PolarHBondContact O-N 2.92Å; K5-L8 PolarHBondContact O-N 2.96Å; K5-L9 WeakPolarHBondContact O-CB 3.49Å; K5-L9 PolarHBondContact O-N 2.86Å
6S71.5Confident71.3Confident69 Ų69121.6 Ų121.648%0.48363%0.63SS.*Hα-helixtrans-65.2-40.4176.5-168.30000112.1S2 L10S2-S6 PolarHBondContact O-N 2.96Å; S6-L10 WeakPolarHBondContact O-CB 3.39Å; S6-L10 PolarHBondContact O-N 2.93Å
7L73.5Confident71.2Confident118 Ų118121.9 Ų121.962%0.61863%0.631SS**Hα-helixtrans-67.2-40.1178.2-161.677.8000111.7K3 F4 L10 F11K3-L7 WeakPolarHBondContact O-CB 3.32Å; K3-L7 PolarHBondContact O-N 2.92Å; K3-L7 VanDerWaalsContact O-N 3.09Å; F4-L7 PolarHBondContact O-N 3.16Å; L7-L10 PolarHBondContact O-N 2.87Å; L7-F11 WeakPolarHBondContact O-CB 3.29Å; L7-F11 PolarHBondContact O-N 3.34Å
8L75.7Confident71.1Confident122 Ų122120.1 Ų120.164%0.63963%0.631SS**Hα-helixtrans-69.5-37178.6-157121.9000112.2F4 K5 G12F4-L8 WeakPolarHBondContact O-CB 3.43Å; F4-L8 PolarHBondContact O-N 3.48Å; K5-L8 PolarHBondContact O-N 2.96Å; L8-G12 PolarHBondContact O-N 3.45Å
9L76.6Confident70.8Confident124 Ų124116.3 Ų116.365%0.64962%0.624SS**Hα-helixtrans-63.2-45.8170.1-93.4158.3000111.3K5 F11 G12 T13K5-L9 WeakPolarHBondContact O-CB 3.49Å; K5-L9 PolarHBondContact O-N 2.86Å; L9-F11 VanDerWaalsContact C-N 3.34Å; L9-F11 PolarHBondContact O-N 3.2Å; L9-G12 PolarHBondContact O-N 3.33Å; L9-T13 PolarHBondContact O-N 3.17Å; L9-T13 PolarHBondContact O-OG1 3.29Å
10L75Confident70.5Confident109 Ų109116.4 Ų116.457%0.57163%0.633SS**Hα-helixtrans-62.4-41.4178.8-132.4125.1000111.8S6 L7 T13 L14S6-L10 WeakPolarHBondContact O-CB 3.39Å; S6-L10 PolarHBondContact O-N 2.93Å; L7-L10 PolarHBondContact O-N 2.87Å; L10-T13 PolarHBondContact O-N 3.32Å; L10-L14 HydrophobicContact CD2-CD1 4.25Å; L10-L14 PolarHBondContact O-N 3Å
11F75.1Confident70.1Confident140 Ų140114.9 Ų114.961%0.61463%0.631SS**Hα-helixtrans-68.5-41.3177.4-150-97.4000112.1L7 L9 T13 L14 I15L7-F11 WeakPolarHBondContact O-CB 3.29Å; L7-F11 PolarHBondContact O-N 3.34Å; L9-F11 VanDerWaalsContact C-N 3.34Å; L9-F11 PolarHBondContact O-N 3.2Å; F11-T13 VanDerWaalsContact C-N 3.3Å; F11-T13 PolarHBondContact O-N 2.88Å; F11-L14 PolarHBondContact O-N 2.96Å; F11-I15 HydrophobicContact CD1-CD1 3.71Å; F11-I15 HydrophobicContact CD1-CG1 4.37Å; F11-I15 HydrophobicContact CE1-CD1 3.92Å; F11-I15 HydrophobicContact CE1-CG1 4.47Å; F11-I15 WeakPolarHBondContact O-CG1 3.37Å; F11-I15 PolarHBondContact O-N 3.31Å
12G76.5Confident70.5Confident31 Ų31112 Ų11232%0.3262%0.62SS.*Hα-helixtrans-61.7-37.8173.200000112.6L8 L9 I15 L16L8-G12 PolarHBondContact O-N 3.45Å; L9-G12 PolarHBondContact O-N 3.33Å; G12-I15 PolarHBondContact O-N 3.03Å; G12-L16 WeakPolarHBondContact O-CG 3.49Å; G12-L16 PolarHBondContact O-N 3.08Å; G12-L16 VanDerWaalsContact O-N 3.12Å
13T74.5Confident71Confident72 Ų72111 Ų11144%0.44261%0.606SS.*Hα-helixtrans-69.8-39.3176.8-33.10000111.2L9 L10 F11 I15 L16 L17L9-T13 PolarHBondContact O-N 3.17Å; L9-T13 PolarHBondContact O-OG1 3.29Å; L10-T13 PolarHBondContact O-N 3.32Å; F11-T13 VanDerWaalsContact C-N 3.3Å; F11-T13 PolarHBondContact O-N 2.88Å; T13-I15 PolarHBondContact O-N 3.47Å; T13-L16 PolarHBondContact O-N 3.03Å; T13-L17 HydrophobicContact CG2-CD1 3.91Å; T13-L17 WeakPolarHBondContact O-CD1 3.19Å; T13-L17 PolarHBondContact O-N 2.97Å
14L71.4Confident71.5Confident110 Ų110104.6 Ų104.658%0.57658%0.579SS**Hα-helixtrans-62.6-39.3175-109.391.5000112.8L10 F11 L16 L17 S18L10-L14 HydrophobicContact CD2-CD1 4.25Å; L10-L14 PolarHBondContact O-N 3Å; F11-L14 PolarHBondContact O-N 2.96Å; L14-L16 VanDerWaalsContact C-N 3.33Å; L14-L17 PolarHBondContact O-N 3.42Å; L14-S18 PolarHBondContact O-N 2.92Å; L14-S18 PolarHBondContact O-OG 3.22Å
15I71.8Confident71.8Confident104 Ų104100.2 Ų100.253%0.53356%0.562SS.*Hα-helixtrans-66.5-37.4176.2-66.2164.9000110.8F11 G12 T13 S18F11-I15 HydrophobicContact CD1-CD1 3.71Å; F11-I15 HydrophobicContact CD1-CG1 4.37Å; F11-I15 HydrophobicContact CE1-CD1 3.92Å; F11-I15 HydrophobicContact CE1-CG1 4.47Å; F11-I15 WeakPolarHBondContact O-CG1 3.37Å; F11-I15 PolarHBondContact O-N 3.31Å; G12-I15 PolarHBondContact O-N 3.03Å; T13-I15 PolarHBondContact O-N 3.47Å; I15-S18 PolarHBondContact O-OG 2.88Å; I15-S18 VanDerWaalsContact O-OG 3.09Å
16L68.1Low72.2Confident144 Ų14496.1 Ų96.175%0.75454%0.544SS*.Hα-helixtrans-69.1-33.2176-72.1167.5000112.4G12 T13 L14G12-L16 WeakPolarHBondContact O-CG 3.49Å; G12-L16 PolarHBondContact O-N 3.08Å; G12-L16 VanDerWaalsContact O-N 3.12Å; T13-L16 PolarHBondContact O-N 3.03Å; L14-L16 VanDerWaalsContact C-N 3.33Å
17L69.1Low72.8Confident126 Ų12695.4 Ų95.466%0.6654%0.535SS*.Hα-helixtrans-78.8-31.2177.3-90.482.9000113.4T13 L14 G19 C20T13-L17 HydrophobicContact CG2-CD1 3.91Å; T13-L17 WeakPolarHBondContact O-CD1 3.19Å; T13-L17 PolarHBondContact O-N 2.97Å; L14-L17 PolarHBondContact O-N 3.42Å; L17-G19 PolarHBondContact O-N 3.31Å; L17-C20 PolarHBondContact O-N 2.87Å
18S69.5Low73.4Confident89 Ų8990.9 Ų90.962%0.62251%0.514SS*.Hα-helixtrans-68.4-18.7-178.266.20000113.5L14 I15 C20L14-S18 PolarHBondContact O-N 2.92Å; L14-S18 PolarHBondContact O-OG 3.22Å; I15-S18 PolarHBondContact O-OG 2.88Å; I15-S18 VanDerWaalsContact O-OG 3.09Å; S18-C20 VanDerWaalsContact C-N 3.29Å; S18-C20 PolarHBondContact O-N 3.42Å
19G66.1Low73.9Confident49 Ų4986.9 Ų86.951%0.50549%0.492SS..THydrogen-bonded Turntrans-75.4-7.2176.700000115.5L17 S21L17-G19 PolarHBondContact O-N 3.31Å; G19-S21 PolarHBondContact O-N 3.18Å; G19-S21 VanDerWaalsContact O-N 3.16Å
20C64.8Low74.4Confident117 Ų11781.1 Ų81.179%0.79146%0.462SS*.THydrogen-bonded Turntrans-80.213.6-176.2-125.30000114.5L17 S18L17-C20 PolarHBondContact O-N 2.87Å; S18-C20 VanDerWaalsContact C-N 3.29Å; S18-C20 PolarHBondContact O-N 3.42Å
21S62.4Low74.9Confident86 Ų8678.4 Ų78.460%0.60145%0.451SS*.SBendtrans-59.9143.5172.269.30000110.2G19 I23G19-S21 PolarHBondContact O-N 3.18Å; G19-S21 VanDerWaalsContact O-N 3.16Å; S21-I23 VanDerWaalsContact C-N 3.26Å; S21-I23 PolarHBondContact O-N 2.88Å
22N64.7Low75.5Confident144 Ų14472.7 Ų72.777%0.7743%0.428SS*.  trans-62.181.4-178-76.7-57.2000111.6E24N22-E24 PolarHBondContact O-N 3.35Å
23I74.3Confident76Confident78 Ų7871.3 Ų71.340%0.441%0.413SS..  trans-63.8118.6172.4-64.2164.5000107.2S21 I25 F26 N27S21-I23 VanDerWaalsContact C-N 3.26Å; S21-I23 PolarHBondContact O-N 2.88Å; I23-I25 HydrophobicContact CG2-CB 4.24Å; I23-I25 PolarHBondContact O-N 3.4Å; I23-I25 VanDerWaalsContact O-N 3.08Å; I23-F26 HydrophobicContact CB-CD2 3.79Å; I23-F26 HydrophobicContact CD1-CD2 3.86Å; I23-F26 HydrophobicContact CD1-CE2 3.99Å; I23-F26 HydrophobicContact CG1-CD2 4.43Å; I23-F26 HydrophobicContact CG2-CD2 3.73Å; I23-F26 HydrophobicContact CG2-CE2 4.24Å; I23-F26 PolarHBondContact O-N 3.24Å; I23-N27 PolarHBondContact O-N 3.09Å
24E76.6Confident76.6Confident56 Ų5671.1 Ų71.126%0.26242%0.415SS..G310 helixtrans-52.4-37.2-173.2-68.9176.7176.900112.8N22 F26 N27 P169 Q170 R196N22-E24 PolarHBondContact O-N 3.35Å; E24-F26 VanDerWaalsContact C-N 3.33Å; E24-F26 PolarHBondContact O-N 3.04Å; E24-N27 CarbonylContact O-C 3.57Å; E24-N27 PolarHBondContact O-N 3.11Å; E24-P169 HydrophobicContact CB-CB 4.11Å; E24-Q170 HydrophobicContact CB-CG 4.13Å; E24-R196 IonicContact OE1-CZ 3.14Å; E24-R196 IonicContact OE1-NE 3.19Å; E24-R196 PolarHBondContact OE1-NE 3.45Å; E24-R196 IonicContact OE1-NH2 2.92Å; E24-R196 PolarHBondContact OE1-NH2 3.49Å; E24-R196 IonicContact OE2-CZ 3.49Å; E24-R196 IonicContact OE2-NE 3.42Å; E24-R196 PolarHBondContact OE2-NE 3.32Å; E24-R196 IonicContact OE2-NH2 2.79Å; E24-R196 PolarHBondContact OE2-NH2 3.07Å
25I78.5Confident77.4Confident61 Ų6168.4 Ų68.431%0.31341%0.405SS..G310 helixtrans-64.8-34.2179.4-59.6168.4000112I23 N27 I40 W167 P169I23-I25 HydrophobicContact CG2-CB 4.24Å; I23-I25 PolarHBondContact O-N 3.4Å; I23-I25 VanDerWaalsContact O-N 3.08Å; I25-N27 VanDerWaalsContact C-N 3.35Å; I25-I40 HydrophobicContact CG2-CD1 4.01Å; I25-W167 HydrophobicContact CD1-CH2 4.31Å; I25-W167 HydrophobicContact CD1-CZ2 4.03Å; I25-W167 HydrophobicContact CG1-CZ2 4.2Å; I25-P169 HydrophobicContact CG1-CB 4.41Å
26F80.3Confident78.1Confident70 Ų7065.7 Ų65.731%0.30739%0.39SS..G310 helixtrans-84.9-8.6178.3-68.5-58.5000113.1I23 E24 K37 I40 L41 I44I23-F26 HydrophobicContact CB-CD2 3.79Å; I23-F26 HydrophobicContact CD1-CD2 3.86Å; I23-F26 HydrophobicContact CD1-CE2 3.99Å; I23-F26 HydrophobicContact CG1-CD2 4.43Å; I23-F26 HydrophobicContact CG2-CD2 3.73Å; I23-F26 HydrophobicContact CG2-CE2 4.24Å; I23-F26 PolarHBondContact O-N 3.24Å; E24-F26 VanDerWaalsContact C-N 3.33Å; E24-F26 PolarHBondContact O-N 3.04Å; F26-K37 HydrophobicContact CD1-CG 4.23Å; F26-K37 WeakPolarHBondContact O-CD 3.38Å; F26-K37 VanDerWaalsContact O-CE 3.28Å; F26-K37 WeakPolarHBondContact O-CE 3.4Å; F26-K37 PolarHBondContact O-NZ 3.04Å; F26-I40 HydrophobicContact CE1-CG2 3.81Å; F26-I40 HydrophobicContact CZ-CG2 4.01Å; F26-L41 HydrophobicContact CD1-CD2 4.45Å; F26-L41 HydrophobicContact CE1-CD2 3.98Å; F26-L41 HydrophobicContact CE1-CG 4.28Å; F26-I44 HydrophobicContact CZ-CD1 4.42Å
27N84Confident79.1Confident54 Ų5462.3 Ų62.329%0.28937%0.369SS..SBendtrans-103.661.1172.5-167.70.4000110.6I23 E24 I25 K29I23-N27 PolarHBondContact O-N 3.09Å; E24-N27 CarbonylContact O-C 3.57Å; E24-N27 PolarHBondContact O-N 3.11Å; I25-N27 VanDerWaalsContact C-N 3.35Å; N27-K29 PolarHBondContact O-N 3.48Å; N27-K29 WeakPolarHBondContact OD1-CE 3.16Å; N27-K29 PolarHBondContact OD1-NZ 2.82Å
28A85.7Confident80Confident22 Ų2262.6 Ų62.618%0.18237%0.366CS..  trans-60.4128.6179.900000112.1A33 K37A28-A33 VanDerWaalsContact CB-C 3.44Å; A28-A33 HydrophobicContact CB-CB 3.57Å; A28-K37 HydrophobicContact CB-CD 4.49Å
29K87Confident80.9Confident39 Ų3959.6 Ų59.617%0.1734%0.342CS..  trans-117.15.3179.6-58.4-57.2-168.2-171.60113.3N27 Q170 L171 S190 Q191 F195N27-K29 PolarHBondContact O-N 3.48Å; N27-K29 WeakPolarHBondContact OD1-CE 3.16Å; N27-K29 PolarHBondContact OD1-NZ 2.82Å; K29-Q170 HydrophobicContact CB-CB 4.42Å; K29-Q170 HydrophobicContact CG-CB 4.24Å; K29-Q170 PolarHBondContact N-O 3.37Å; K29-L171 HydrophobicContact CB-CD2 4.48Å; K29-S190 WeakPolarHBondContact O-CB 3.2Å; K29-S190 PolarHBondContact O-N 2.94Å; K29-Q191 HydrophobicContact CD-CB 4.31Å; K29-Q191 HydrophobicContact CD-CG 4.37Å; K29-Q191 VanDerWaalsContact CD-OE1 3.22Å; K29-F195 HydrophobicContact CB-CE1 3.81Å; K29-F195 HydrophobicContact CB-CE2 4.48Å; K29-F195 HydrophobicContact CB-CZ 3.76Å; K29-F195 HydrophobicContact CG-CD1 4.3Å; K29-F195 HydrophobicContact CG-CE1 3.62Å; K29-F195 HydrophobicContact CG-CZ 4.08Å
30G87Confident82Confident3 Ų360.3 Ų60.33%0.03133%0.334CS..SBendtrans-135163.4174.700000112.1V32 A33 S34 Q170 E188G30-V32 VanDerWaalsContact C-N 3.33Å; G30-V32 PolarHBondContact O-N 3.38Å; G30-A33 PolarHBondContact O-N 2.98Å; G30-S34 WeakPolarHBondContact O-CB 3.38Å; G30-S34 PolarHBondContact O-N 3.18Å; G30-Q170 PolarHBondContact N-O 3.32Å; G30-E188 WeakPolarHBondContact CA-O 3.4Å
31P86.3Confident83.2Confident52 Ų5258.4 Ų58.434%0.33832%0.316SS..Hα-helixtrans-65-36.9-178.825.4-32.5000112.3S34 S35 E188 S190P31-S34 PolarHBondContact O-N 3.23Å; P31-S35 PolarHBondContact O-N 3.19Å; P31-S35 PolarHBondContact O-OG 3.43Å; P31-E188 WeakPolarHBondContact CD-O 3.5Å; P31-E188 HydrophobicContact CG-CB 3.93Å; P31-E188 HydrophobicContact CG-CG 4.44Å; P31-S190 WeakPolarHBondContact CD-OG 3.4Å
32V87.4Confident84.5Confident19 Ų1957.7 Ų57.712%0.11530%0.3CS..Hα-helixtrans-64.5-52.4175.61780000110.1G30 S34 S35 Q36 Y108 L187G30-V32 VanDerWaalsContact C-N 3.33Å; G30-V32 PolarHBondContact O-N 3.38Å; V32-S34 VanDerWaalsContact C-N 3.27Å; V32-S34 PolarHBondContact O-N 3.5Å; V32-S35 PolarHBondContact O-N 2.94Å; V32-Q36 WeakPolarHBondContact O-CG 3.42Å; V32-Q36 PolarHBondContact O-N 3.42Å; V32-Y108 HydrophobicContact CB-CE1 4.32Å; V32-Y108 HydrophobicContact CG1-CD1 4.03Å; V32-Y108 HydrophobicContact CG1-CE1 3.83Å; V32-Y108 HydrophobicContact CG2-CD1 4.29Å; V32-Y108 HydrophobicContact CG2-CE1 4.43Å; V32-Y108 PolarHBondContact O-OH 3.05Å; V32-L187 HydrophobicContact CB-CD2 4.35Å; V32-L187 HydrophobicContact CG1-CD2 4.37Å; V32-L187 HydrophobicContact CG2-CD2 4.48Å
33A87.3Confident85.8Confident2 Ų253.1 Ų53.12%0.01728%0.28CS..Hα-helixtrans-58.9-36.3175.800000113A28 G30 Q36 K37 Q170 L171A28-A33 VanDerWaalsContact CB-C 3.44Å; A28-A33 HydrophobicContact CB-CB 3.57Å; G30-A33 PolarHBondContact O-N 2.98Å; A33-Q36 PolarHBondContact O-N 3.29Å; A33-K37 WeakPolarHBondContact O-CB 3.28Å; A33-K37 PolarHBondContact O-N 3.29Å; A33-Q170 WeakPolarHBondContact CB-O 3.34Å; A33-L171 VanDerWaalsContact CB-C 3.49Å; A33-L171 WeakPolarHBondContact CB-O 3.44Å; A33-L171 PolarHBondContact N-O 2.95Å; A33-L171 VanDerWaalsContact N-O 3.09Å
34S87.5Confident86.6Confident69 Ų6952.4 Ų52.448%0.48328%0.276SS..Hα-helixtrans-66.6-42.6179.3-167.40000111.8G30 P31 V32 K37 F38G30-S34 WeakPolarHBondContact O-CB 3.38Å; G30-S34 PolarHBondContact O-N 3.18Å; P31-S34 PolarHBondContact O-N 3.23Å; V32-S34 VanDerWaalsContact C-N 3.27Å; V32-S34 PolarHBondContact O-N 3.5Å; S34-K37 PolarHBondContact O-N 2.91Å; S34-F38 PolarHBondContact O-N 2.75Å
35S86.8Confident87.3Confident53 Ų5353.9 Ų53.937%0.37129%0.289SS..Hα-helixtrans-65-40.2174.4-590000111.8P31 V32 F38 L39 Y108P31-S35 PolarHBondContact O-N 3.19Å; P31-S35 PolarHBondContact O-OG 3.43Å; V32-S35 PolarHBondContact O-N 2.94Å; S35-F38 PolarHBondContact O-N 3.16Å; S35-L39 PolarHBondContact O-N 2.92Å; S35-Y108 WeakPolarHBondContact CB-OH 3.43Å
36Q86.3Confident87.8Confident46 Ų4653.7 Ų53.722%0.21529%0.286CS..Hα-helixtrans-63.9-46.2174.2-70.6178.8-15.400112.1V32 A33 F38 L39 I40 Y108 G172 G173V32-Q36 WeakPolarHBondContact O-CG 3.42Å; V32-Q36 PolarHBondContact O-N 3.42Å; A33-Q36 PolarHBondContact O-N 3.29Å; Q36-F38 VanDerWaalsContact C-N 3.28Å; Q36-F38 PolarHBondContact O-N 3Å; Q36-L39 PolarHBondContact O-N 3.41Å; Q36-I40 VanDerWaalsContact O-CG1 3.3Å; Q36-I40 WeakPolarHBondContact O-CG1 3.3Å; Q36-I40 PolarHBondContact O-N 3.49Å; Q36-Y108 HydrophobicContact CG-CE2 4.04Å; Q36-Y108 VanDerWaalsContact CG-OH 3.24Å; Q36-Y108 WeakPolarHBondContact CG-OH 3.4Å; Q36-Y108 PolarHBondContact N-OH 2.86Å; Q36-G172 VanDerWaalsContact OE1-C 3.24Å; Q36-G173 VanDerWaalsContact NE2-CA 3.31Å; Q36-G173 VanDerWaalsContact NE2-N 3.12Å
37K88.7Confident88.4Confident73 Ų7355.6 Ų55.632%0.31730%0.297SS..Hα-helixtrans-55.4-45.6174.9171.1179.7178.7174.50111F26 A28 A33 S34 I40 L41F26-K37 HydrophobicContact CD1-CG 4.23Å; F26-K37 WeakPolarHBondContact O-CD 3.38Å; F26-K37 VanDerWaalsContact O-CE 3.28Å; F26-K37 WeakPolarHBondContact O-CE 3.4Å; F26-K37 PolarHBondContact O-NZ 3.04Å; A28-K37 HydrophobicContact CB-CD 4.49Å; A33-K37 WeakPolarHBondContact O-CB 3.28Å; A33-K37 PolarHBondContact O-N 3.29Å; S34-K37 PolarHBondContact O-N 2.91Å; K37-I40 PolarHBondContact O-N 2.75Å; K37-L41 HydrophobicContact CG-CD1 4Å; K37-L41 WeakPolarHBondContact O-CB 3.44Å; K37-L41 WeakPolarHBondContact O-CG 3.17Å; K37-L41 PolarHBondContact O-N 3.35Å
38F88.7Confident88.8Confident132 Ų13257.8 Ų57.858%0.57931%0.308SS*.Hα-helixtrans-60.3-48.5177.8178-96.5000111.6S34 S35 Q36 I40 L41 Y42S34-F38 PolarHBondContact O-N 2.75Å; S35-F38 PolarHBondContact O-N 3.16Å; Q36-F38 VanDerWaalsContact C-N 3.28Å; Q36-F38 PolarHBondContact O-N 3Å; F38-I40 PolarHBondContact O-N 3.22Å; F38-L41 PolarHBondContact O-N 3.17Å; F38-Y42 VanDerWaalsContact O-CB 3.23Å; F38-Y42 WeakPolarHBondContact O-CB 3.36Å; F38-Y42 PolarHBondContact O-N 2.57Å
39L88.9Confident89.1Confident26 Ų2660.8 Ų60.814%0.13632%0.324CS..Hα-helixtrans-61.5-40.9177.2-73.9178.9000112.9S35 Q36 Y42 S43 P100 T104S35-L39 PolarHBondContact O-N 2.92Å; Q36-L39 PolarHBondContact O-N 3.41Å; L39-Y42 PolarHBondContact O-N 2.67Å; L39-S43 WeakPolarHBondContact O-CB 3.5Å; L39-S43 PolarHBondContact O-N 2.74Å; L39-S43 PolarHBondContact O-OG 2.84Å; L39-S43 VanDerWaalsContact O-OG 3.08Å; L39-P100 HydrophobicContact CD2-CB 3.96Å; L39-T104 HydrophobicContact CD1-CG2 3.55Å
40I89.2Confident89.3Confident64 Ų6462.2 Ų62.233%0.32833%0.332SS..Hα-helixtrans-62.4-49.6177.3-70.3167.3000109.9I25 F26 Q36 K37 F38 Y42 S43 I44I25-I40 HydrophobicContact CG2-CD1 4.01Å; F26-I40 HydrophobicContact CE1-CG2 3.81Å; F26-I40 HydrophobicContact CZ-CG2 4.01Å; Q36-I40 VanDerWaalsContact O-CG1 3.3Å; Q36-I40 WeakPolarHBondContact O-CG1 3.3Å; Q36-I40 PolarHBondContact O-N 3.49Å; K37-I40 PolarHBondContact O-N 2.75Å; F38-I40 PolarHBondContact O-N 3.22Å; I40-Y42 VanDerWaalsContact C-N 3.34Å; I40-Y42 PolarHBondContact O-N 3.44Å; I40-S43 PolarHBondContact O-N 3.08Å; I40-I44 HydrophobicContact CG2-CD1 3.63Å; I40-I44 HydrophobicContact CG2-CG1 4.37Å; I40-I44 WeakPolarHBondContact O-CB 3.35Å; I40-I44 VanDerWaalsContact O-CG1 3.24Å; I40-I44 WeakPolarHBondContact O-CG1 3.27Å; I40-I44 PolarHBondContact O-N 3.17Å
41L89.5Confident89.5Confident78 Ų7864.8 Ų64.841%0.40835%0.35SS..Hα-helixtrans-63-41.3178.7-71.2174.2000111.7F26 K37 F38 I44 V45F26-L41 HydrophobicContact CD1-CD2 4.45Å; F26-L41 HydrophobicContact CE1-CD2 3.98Å; F26-L41 HydrophobicContact CE1-CG 4.28Å; K37-L41 HydrophobicContact CG-CD1 4Å; K37-L41 WeakPolarHBondContact O-CB 3.44Å; K37-L41 WeakPolarHBondContact O-CG 3.17Å; K37-L41 PolarHBondContact O-N 3.35Å; F38-L41 PolarHBondContact O-N 3.17Å; L41-I44 PolarHBondContact O-N 3.08Å; L41-V45 VanDerWaalsContact O-CG2 3.3Å; L41-V45 WeakPolarHBondContact O-CG2 3.37Å; L41-V45 PolarHBondContact O-N 2.83Å
42Y90.2Very high89.8Confident71 Ų7170.1 Ų70.128%0.27837%0.368SS..Hα-helixtrans-57.7-52.6175.1-176.9-99.9000111F38 L39 I40 I44 V45 F46 A96 L97 P100F38-Y42 VanDerWaalsContact O-CB 3.23Å; F38-Y42 WeakPolarHBondContact O-CB 3.36Å; F38-Y42 PolarHBondContact O-N 2.57Å; L39-Y42 PolarHBondContact O-N 2.67Å; I40-Y42 VanDerWaalsContact C-N 3.34Å; I40-Y42 PolarHBondContact O-N 3.44Å; Y42-I44 PolarHBondContact O-N 2.77Å; Y42-V45 PolarHBondContact O-N 3.23Å; Y42-F46 HydrophobicContact CD1-CD2 4.2Å; Y42-F46 HydrophobicContact CD1-CE2 4.24Å; Y42-F46 HydrophobicContact CD2-CD2 4.49Å; Y42-F46 HydrophobicContact CD2-CE2 4.12Å; Y42-F46 AromaticContact CE1-CD2 3.98Å; Y42-F46 HydrophobicContact CE1-CD2 3.98Å; Y42-F46 AromaticContact CE1-CE2 3.66Å; Y42-F46 HydrophobicContact CE1-CE2 3.66Å; Y42-F46 HydrophobicContact CE1-CZ 4.41Å; Y42-F46 HydrophobicContact CE2-CD2 4.28Å; Y42-F46 AromaticContact CE2-CE2 3.51Å; Y42-F46 HydrophobicContact CE2-CE2 3.51Å; Y42-F46 HydrophobicContact CE2-CZ 4.4Å; Y42-F46 HydrophobicContact CG-CD2 4.46Å; Y42-F46 HydrophobicContact CG-CE2 4.45Å; Y42-F46 AromaticContact CZ-CE2 3.24Å; Y42-F46 AromaticContact CZ-CZ 3.89Å; Y42-F46 WeakPolarHBondContact O-CD2 3.49Å; Y42-F46 PolarHBondContact O-N 3.24Å; Y42-F46 VanDerWaalsContact O-N 3.11Å; Y42-F46 WeakPolarHBondContact OH-CE2 3.17Å; Y42-A96 PolarHBondContact OH-O 3.14Å; Y42-L97 HydrophobicContact CD1-CD2 3.99Å; Y42-L97 HydrophobicContact CE1-CD2 3.81Å; Y42-P100 HydrophobicContact CD1-CG 4.44Å; Y42-P100 HydrophobicContact CE1-CG 3.86Å
43S91.2Very high90Very high48 Ų4873.4 Ų73.434%0.33639%0.388SS..Hα-helixtrans-63.2-39.1178.3-63.70000113.1L39 I40 V45 F46 M47L39-S43 WeakPolarHBondContact O-CB 3.5Å; L39-S43 PolarHBondContact O-N 2.74Å; L39-S43 PolarHBondContact O-OG 2.84Å; L39-S43 VanDerWaalsContact O-OG 3.08Å; I40-S43 PolarHBondContact O-N 3.08Å; S43-V45 VanDerWaalsContact C-N 3.35Å; S43-V45 PolarHBondContact O-N 2.9Å; S43-F46 PolarHBondContact O-N 2.62Å; S43-M47 WeakPolarHBondContact O-CB 2.75Å; S43-M47 PolarHBondContact O-N 3.22Å
44I91.4Very high90.2Very high62 Ų6276.2 Ų76.232%0.31840%0.404SS..Hα-helixtrans-62.3-42.7175.7-72.8170.1000110.7F26 I40 L41 Y42 M47 L48F26-I44 HydrophobicContact CZ-CD1 4.42Å; I40-I44 HydrophobicContact CG2-CD1 3.63Å; I40-I44 HydrophobicContact CG2-CG1 4.37Å; I40-I44 WeakPolarHBondContact O-CB 3.35Å; I40-I44 VanDerWaalsContact O-CG1 3.24Å; I40-I44 WeakPolarHBondContact O-CG1 3.27Å; I40-I44 PolarHBondContact O-N 3.17Å; L41-I44 PolarHBondContact O-N 3.08Å; Y42-I44 PolarHBondContact O-N 2.77Å; I44-M47 PolarHBondContact O-N 2.87Å; I44-L48 HydrophobicContact CG2-CD1 3.83Å; I44-L48 HydrophobicContact CG2-CG 4.19Å; I44-L48 WeakPolarHBondContact O-CB 3.25Å; I44-L48 VanDerWaalsContact O-CG 3.28Å; I44-L48 WeakPolarHBondContact O-CG 3.39Å; I44-L48 PolarHBondContact O-N 3.29Å
45V91.4Very high90.5Very high88 Ų8878.6 Ų78.653%0.53341%0.411SS..Hα-helixtrans-61.5-46.7177.2169.30000110.8L41 Y42 S43 M47 L48 V49L41-V45 VanDerWaalsContact O-CG2 3.3Å; L41-V45 WeakPolarHBondContact O-CG2 3.37Å; L41-V45 PolarHBondContact O-N 2.83Å; Y42-V45 PolarHBondContact O-N 3.23Å; S43-V45 VanDerWaalsContact C-N 3.35Å; S43-V45 PolarHBondContact O-N 2.9Å; V45-M47 PolarHBondContact O-N 3.45Å; V45-L48 PolarHBondContact O-N 3.02Å; V45-V49 HydrophobicContact CG1-CG2 4.49Å; V45-V49 VanDerWaalsContact O-CG2 3.29Å; V45-V49 WeakPolarHBondContact O-CG2 3.37Å; V45-V49 PolarHBondContact O-N 3.08Å
46F89.9Confident90.7Very high57 Ų5777.3 Ų77.325%0.2541%0.406CS..Hα-helixtrans-59-46175.4-89.5-95000112.1Y42 S43 L48 V49 I50 I93 A96 L97Y42-F46 HydrophobicContact CD1-CD2 4.2Å; Y42-F46 HydrophobicContact CD1-CE2 4.24Å; Y42-F46 HydrophobicContact CD2-CD2 4.49Å; Y42-F46 HydrophobicContact CD2-CE2 4.12Å; Y42-F46 AromaticContact CE1-CD2 3.98Å; Y42-F46 HydrophobicContact CE1-CD2 3.98Å; Y42-F46 AromaticContact CE1-CE2 3.66Å; Y42-F46 HydrophobicContact CE1-CE2 3.66Å; Y42-F46 HydrophobicContact CE1-CZ 4.41Å; Y42-F46 HydrophobicContact CE2-CD2 4.28Å; Y42-F46 AromaticContact CE2-CE2 3.51Å; Y42-F46 HydrophobicContact CE2-CE2 3.51Å; Y42-F46 HydrophobicContact CE2-CZ 4.4Å; Y42-F46 HydrophobicContact CG-CD2 4.46Å; Y42-F46 HydrophobicContact CG-CE2 4.45Å; Y42-F46 AromaticContact CZ-CE2 3.24Å; Y42-F46 AromaticContact CZ-CZ 3.89Å; Y42-F46 WeakPolarHBondContact O-CD2 3.49Å; Y42-F46 PolarHBondContact O-N 3.24Å; Y42-F46 VanDerWaalsContact O-N 3.11Å; Y42-F46 WeakPolarHBondContact OH-CE2 3.17Å; S43-F46 PolarHBondContact O-N 2.62Å; F46-L48 PolarHBondContact O-N 2.58Å; F46-V49 PolarHBondContact O-N 2.72Å; F46-I50 VanDerWaalsContact O-CG1 3.29Å; F46-I50 WeakPolarHBondContact O-CG1 3.4Å; F46-I50 PolarHBondContact O-N 3.05Å; F46-I93 HydrophobicContact CD1-CG2 4.18Å; F46-A96 HydrophobicContact CE1-CB 4.29Å; F46-A96 HydrophobicContact CZ-CB 4.38Å; F46-L97 HydrophobicContact CB-CD2 3.98Å; F46-L97 HydrophobicContact CD1-CD2 4.36Å; F46-L97 HydrophobicContact CD2-CD2 3.97Å; F46-L97 HydrophobicContact CG-CD2 3.83Å; F46-L97 HydrophobicContact CG-CG 4.48Å
47M91.3Very high90.9Very high110 Ų11079.2 Ų79.254%0.54242%0.416SS..Hα-helixtrans-60.9-44.7177.6-171.7-177.977.700111.8S43 I44 V45 V49 I50 C51S43-M47 WeakPolarHBondContact O-CB 2.75Å; S43-M47 PolarHBondContact O-N 3.22Å; I44-M47 PolarHBondContact O-N 2.87Å; V45-M47 PolarHBondContact O-N 3.45Å; M47-V49 PolarHBondContact O-N 2.61Å; M47-I50 PolarHBondContact O-N 3.13Å; M47-C51 WeakPolarHBondContact O-CB 3.28Å; M47-C51 PolarHBondContact O-N 2.99Å; M47-C51 PolarHBondContact O-SG 3.25Å; M47-C51 VanDerWaalsContact O-SG 3.33Å
48L92.7Very high91Very high100 Ų10081.2 Ų81.252%0.52443%0.425SS..Hα-helixtrans-64.4-39.2178.1-73.5175.5000112.3I44 V45 F46 C51 F52I44-L48 HydrophobicContact CG2-CD1 3.83Å; I44-L48 HydrophobicContact CG2-CG 4.19Å; I44-L48 WeakPolarHBondContact O-CB 3.25Å; I44-L48 VanDerWaalsContact O-CG 3.28Å; I44-L48 WeakPolarHBondContact O-CG 3.39Å; I44-L48 PolarHBondContact O-N 3.29Å; V45-L48 PolarHBondContact O-N 3.02Å; F46-L48 PolarHBondContact O-N 2.58Å; L48-C51 PolarHBondContact O-N 3.48Å; L48-F52 VanDerWaalsContact O-CB 3.24Å; L48-F52 WeakPolarHBondContact O-CB 3.35Å; L48-F52 PolarHBondContact O-N 2.58Å
49V91.6Very high91.1Very high85 Ų8577.7 Ų77.752%0.51542%0.42SS..Hα-helixtrans-61.2-46.5174.91700000110.4V45 F46 M47 F52 V53V45-V49 HydrophobicContact CG1-CG2 4.49Å; V45-V49 VanDerWaalsContact O-CG2 3.29Å; V45-V49 WeakPolarHBondContact O-CG2 3.37Å; V45-V49 PolarHBondContact O-N 3.08Å; F46-V49 PolarHBondContact O-N 2.72Å; M47-V49 PolarHBondContact O-N 2.61Å; V49-F52 PolarHBondContact O-N 3.08Å; V49-V53 VanDerWaalsContact O-CG2 3.28Å; V49-V53 WeakPolarHBondContact O-CG2 3.42Å; V49-V53 PolarHBondContact O-N 3.31Å
50I91.2Very high91.1Very high68 Ų6881.3 Ų81.335%0.34944%0.439SS..Hα-helixtrans-62.1-49.6177.6-63.2162.8000110.5F46 M47 F52 V53 V54 I93F46-I50 VanDerWaalsContact O-CG1 3.29Å; F46-I50 WeakPolarHBondContact O-CG1 3.4Å; F46-I50 PolarHBondContact O-N 3.05Å; M47-I50 PolarHBondContact O-N 3.13Å; I50-F52 VanDerWaalsContact C-N 3.29Å; I50-F52 PolarHBondContact O-N 2.89Å; I50-V53 PolarHBondContact O-N 3.43Å; I50-V54 HydrophobicContact CG2-CG2 4.29Å; I50-V54 WeakPolarHBondContact O-CB 3.46Å; I50-V54 WeakPolarHBondContact O-CG2 3.32Å; I50-V54 PolarHBondContact O-N 3.42Å; I50-I93 HydrophobicContact CD1-CD1 4.2Å; I50-I93 HydrophobicContact CD1-CG2 3.91Å; I50-I93 HydrophobicContact CG1-CD1 4.14Å
51C91.4Very high91Very high58 Ų5882.8 Ų82.839%0.39244%0.443SS..Hα-helixtrans-58.1-42.4177.5-72.60000111.6M47 L48 V54 L55M47-C51 WeakPolarHBondContact O-CB 3.28Å; M47-C51 PolarHBondContact O-N 2.99Å; M47-C51 PolarHBondContact O-SG 3.25Å; M47-C51 VanDerWaalsContact O-SG 3.33Å; L48-C51 PolarHBondContact O-N 3.48Å; C51-V54 PolarHBondContact O-N 3.35Å; C51-L55 WeakPolarHBondContact O-CB 3.03Å; C51-L55 VanDerWaalsContact O-CG 3.23Å; C51-L55 WeakPolarHBondContact O-CG 3.38Å; C51-L55 PolarHBondContact O-N 3.3Å
52F92.2Very high90.9Very high163 Ų16385 Ų8572%0.71545%0.454SS*.Hα-helixtrans-65.1-42.4178.3-174.9-97.4000112.1L48 V49 I50 G56L48-F52 VanDerWaalsContact O-CB 3.24Å; L48-F52 WeakPolarHBondContact O-CB 3.35Å; L48-F52 PolarHBondContact O-N 2.58Å; V49-F52 PolarHBondContact O-N 3.08Å; I50-F52 VanDerWaalsContact C-N 3.29Å; I50-F52 PolarHBondContact O-N 2.89Å; F52-G56 WeakPolarHBondContact O-CA 3.48Å; F52-G56 PolarHBondContact O-N 2.86Å
53V91.7Very high90.7Very high89 Ų8989.8 Ų89.854%0.53947%0.473SS..Hα-helixtrans-63.7-47.3176.3171.10000110.8V49 I50 M57V49-V53 VanDerWaalsContact O-CG2 3.28Å; V49-V53 WeakPolarHBondContact O-CG2 3.42Å; V49-V53 PolarHBondContact O-N 3.31Å; I50-V53 PolarHBondContact O-N 3.43Å; V53-M57 VanDerWaalsContact O-CB 3.22Å; V53-M57 WeakPolarHBondContact O-CB 2.87Å; V53-M57 PolarHBondContact O-N 2.93Å
54V92.7Very high90.2Very high60 Ų6092.9 Ų92.936%0.36448%0.48SS..Hα-helixtrans-66.8-51.3-178.4172.50000111.1I50 C51 G56 M57 F58I50-V54 HydrophobicContact CG2-CG2 4.29Å; I50-V54 WeakPolarHBondContact O-CB 3.46Å; I50-V54 WeakPolarHBondContact O-CG2 3.32Å; I50-V54 PolarHBondContact O-N 3.42Å; C51-V54 PolarHBondContact O-N 3.35Å; V54-G56 VanDerWaalsContact C-N 3.34Å; V54-G56 PolarHBondContact O-N 3.07Å; V54-M57 PolarHBondContact O-N 3.11Å; V54-F58 HydrophobicContact CG1-CD2 3.65Å; V54-F58 HydrophobicContact CG1-CE2 3.62Å; V54-F58 VanDerWaalsContact O-CD2 3.24Å; V54-F58 WeakPolarHBondContact O-CD2 3.45Å; V54-F58 PolarHBondContact O-N 2.74Å
55L92.7Very high89.7Confident120 Ų12096.4 Ų96.463%0.62849%0.491SS*.Hα-helixtrans-65.6-37.7178.9-67.8174.6000111.9C51 F58 A59C51-L55 WeakPolarHBondContact O-CB 3.03Å; C51-L55 VanDerWaalsContact O-CG 3.23Å; C51-L55 WeakPolarHBondContact O-CG 3.38Å; C51-L55 PolarHBondContact O-N 3.3Å; L55-F58 PolarHBondContact O-N 2.97Å; L55-A59 VanDerWaalsContact O-CB 3.32Å; L55-A59 WeakPolarHBondContact O-CB 3.31Å; L55-A59 PolarHBondContact O-N 3.5Å
56G92.3Very high89.1Confident26 Ų2694.5 Ų94.527%0.26848%0.481SS..Hα-helixtrans-61.7-46.2173.600000111.7F52 V54 A59 I60F52-G56 WeakPolarHBondContact O-CA 3.48Å; F52-G56 PolarHBondContact O-N 2.86Å; V54-G56 VanDerWaalsContact C-N 3.34Å; V54-G56 PolarHBondContact O-N 3.07Å; G56-A59 PolarHBondContact O-N 2.9Å; G56-I60 WeakPolarHBondContact O-CD1 3.47Å; G56-I60 VanDerWaalsContact O-CG1 3.23Å; G56-I60 WeakPolarHBondContact O-CG1 3.41Å; G56-I60 PolarHBondContact O-N 3.23Å
57M90.1Very high88.1Confident86 Ų86101.5 Ų101.542%0.42451%0.507SS..Hα-helixtrans-62.6-44.7176-173.21797100111.6V53 V54 A59 I60 F61V53-M57 VanDerWaalsContact O-CB 3.22Å; V53-M57 WeakPolarHBondContact O-CB 2.87Å; V53-M57 PolarHBondContact O-N 2.93Å; V54-M57 PolarHBondContact O-N 3.11Å; M57-A59 PolarHBondContact O-N 3.45Å; M57-I60 PolarHBondContact O-N 3.09Å; M57-F61 HydrophobicContact CE-CE2 4Å; M57-F61 HydrophobicContact CG-CD1 4.47Å; M57-F61 HydrophobicContact CG-CD2 3.99Å; M57-F61 HydrophobicContact CG-CE1 3.97Å; M57-F61 HydrophobicContact CG-CE2 3.43Å; M57-F61 VanDerWaalsContact CG-CE2 3.43Å; M57-F61 HydrophobicContact CG-CG 4.49Å; M57-F61 HydrophobicContact CG-CZ 3.41Å; M57-F61 VanDerWaalsContact CG-CZ 3.41Å; M57-F61 WeakPolarHBondContact O-CB 3.29Å; M57-F61 VanDerWaalsContact O-CG 3.23Å; M57-F61 WeakPolarHBondContact O-CG 3.11Å; M57-F61 PolarHBondContact O-N 3.27Å; M57-F61 HydrophobicContact SD-CE2 3.75Å; M57-F61 HydrophobicContact SD-CZ 3.75Å
58F90.7Very high87.1Confident114 Ų114103.3 Ų103.350%0.552%0.519SS..Hα-helixtrans-60-44.6173.9-87.8-66.4000112.3V54 L55 I60 F61 I62V54-F58 HydrophobicContact CG1-CD2 3.65Å; V54-F58 HydrophobicContact CG1-CE2 3.62Å; V54-F58 VanDerWaalsContact O-CD2 3.24Å; V54-F58 WeakPolarHBondContact O-CD2 3.45Å; V54-F58 PolarHBondContact O-N 2.74Å; L55-F58 PolarHBondContact O-N 2.97Å; F58-I60 VanDerWaalsContact C-N 3.33Å; F58-I60 PolarHBondContact O-N 3.2Å; F58-F61 PolarHBondContact O-N 3.05Å; F58-I62 WeakPolarHBondContact O-CB 3.29Å; F58-I62 VanDerWaalsContact O-CG1 3.31Å; F58-I62 WeakPolarHBondContact O-CG1 3.35Å; F58-I62 PolarHBondContact O-N 3.4Å
59A91.2Very high85.9Confident58 Ų58104 Ų10448%0.47952%0.518SS..Hα-helixtrans-62-41.7177.800000111.7L55 G56 M57 Y63L55-A59 VanDerWaalsContact O-CB 3.32Å; L55-A59 WeakPolarHBondContact O-CB 3.31Å; L55-A59 PolarHBondContact O-N 3.5Å; G56-A59 PolarHBondContact O-N 2.9Å; M57-A59 PolarHBondContact O-N 3.45Å; A59-Y63 VanDerWaalsContact O-CB 3.26Å; A59-Y63 WeakPolarHBondContact O-CB 3.19Å; A59-Y63 PolarHBondContact O-N 2.94Å
60I89.1Confident84.8Confident103 Ų103103.3 Ų103.353%0.52851%0.511SS..Hα-helixtrans-62.7-45.7174.6-68.4163.3000110.5G56 M57 F58 Y63 K64G56-I60 WeakPolarHBondContact O-CD1 3.47Å; G56-I60 VanDerWaalsContact O-CG1 3.23Å; G56-I60 WeakPolarHBondContact O-CG1 3.41Å; G56-I60 PolarHBondContact O-N 3.23Å; M57-I60 PolarHBondContact O-N 3.09Å; F58-I60 VanDerWaalsContact C-N 3.33Å; F58-I60 PolarHBondContact O-N 3.2Å; I60-Y63 PolarHBondContact O-N 3.32Å; I60-K64 WeakPolarHBondContact O-CB 3.26Å; I60-K64 PolarHBondContact O-N 3.14Å
61F87.6Confident83.6Confident95 Ų95105.3 Ų105.342%0.41754%0.538SS..Hα-helixtrans-64.9-43.5-179.3-69.3-12.7000112.2M57 F58 Y63 Y65M57-F61 HydrophobicContact CE-CE2 4Å; M57-F61 HydrophobicContact CG-CD1 4.47Å; M57-F61 HydrophobicContact CG-CD2 3.99Å; M57-F61 HydrophobicContact CG-CE1 3.97Å; M57-F61 HydrophobicContact CG-CE2 3.43Å; M57-F61 VanDerWaalsContact CG-CE2 3.43Å; M57-F61 HydrophobicContact CG-CG 4.49Å; M57-F61 HydrophobicContact CG-CZ 3.41Å; M57-F61 VanDerWaalsContact CG-CZ 3.41Å; M57-F61 WeakPolarHBondContact O-CB 3.29Å; M57-F61 VanDerWaalsContact O-CG 3.23Å; M57-F61 WeakPolarHBondContact O-CG 3.11Å; M57-F61 PolarHBondContact O-N 3.27Å; M57-F61 HydrophobicContact SD-CE2 3.75Å; M57-F61 HydrophobicContact SD-CZ 3.75Å; F58-F61 PolarHBondContact O-N 3.05Å; F61-Y63 PolarHBondContact O-N 3.38Å; F61-Y65 HydrophobicContact CD1-CD2 4.2Å; F61-Y65 HydrophobicContact CD1-CE2 4.19Å; F61-Y65 WeakPolarHBondContact O-CA 3.46Å; F61-Y65 WeakPolarHBondContact O-CB 3.24Å; F61-Y65 PolarHBondContact O-N 3.21Å
62I86.3Confident82.5Confident124 Ų124110.6 Ų110.664%0.63656%0.557SS**Hα-helixtrans-62.7-43.6174.7-68.1169.1000110.5F58 S66F58-I62 WeakPolarHBondContact O-CB 3.29Å; F58-I62 VanDerWaalsContact O-CG1 3.31Å; F58-I62 WeakPolarHBondContact O-CG1 3.35Å; F58-I62 PolarHBondContact O-N 3.4Å; I62-S66 WeakPolarHBondContact O-CB 3.16Å; I62-S66 PolarHBondContact O-N 3.22Å
63Y85.4Confident81.5Confident172 Ų172108 Ų10868%0.67556%0.559SS**Hα-helixtrans-68.3-40.9-178.8178.2-98.1000113.2A59 I60 F61 K69A59-Y63 VanDerWaalsContact O-CB 3.26Å; A59-Y63 WeakPolarHBondContact O-CB 3.19Å; A59-Y63 PolarHBondContact O-N 2.94Å; I60-Y63 PolarHBondContact O-N 3.32Å; F61-Y63 PolarHBondContact O-N 3.38Å; Y63-K69 PolarHBondContact O-NZ 3.09Å
64K82.2Confident80.6Confident113 Ų113107.2 Ų107.249%0.49157%0.569SS.*Hα-helixtrans-86.1-41.8-174.4-173.2-179.8175.1-166.20112.7I60 N70I60-K64 WeakPolarHBondContact O-CB 3.26Å; I60-K64 PolarHBondContact O-N 3.14Å; K64-N70 PolarHBondContact O-ND2 3.44Å
65Y80.4Confident79.8Confident136 Ų136113.3 Ų113.353%0.53359%0.59SS.*SBendtrans-104.719.9-172.8-61-75.9000113.9F61 N70F61-Y65 HydrophobicContact CD1-CD2 4.2Å; F61-Y65 HydrophobicContact CD1-CE2 4.19Å; F61-Y65 WeakPolarHBondContact O-CA 3.46Å; F61-Y65 WeakPolarHBondContact O-CB 3.24Å; F61-Y65 PolarHBondContact O-N 3.21Å; Y65-N70 WeakPolarHBondContact CA-ND2 3.41Å
66S77.7Confident78.9Confident47 Ų47115.7 Ų115.733%0.32960%0.6SS.*  trans-57.1142.9172.4-175.80000111.8I62 N68 K69 N70I62-S66 WeakPolarHBondContact O-CB 3.16Å; I62-S66 PolarHBondContact O-N 3.22Å; S66-N68 PolarHBondContact O-N 2.89Å; S66-N68 VanDerWaalsContact O-N 3.09Å; S66-K69 PolarHBondContact O-N 2.89Å; S66-N70 PolarHBondContact O-N 3.24Å
67Y69.2Low78Confident205 Ų205123.5 Ų123.580%0.80463%0.63SS**THydrogen-bonded Turntrans-50-35.7179-175.5-98.8000113.2K69Y67-K69 PolarHBondContact O-N 3.11Å
68N70.6Confident77.6Confident148 Ų148125.9 Ų125.979%0.79164%0.64SS**THydrogen-bonded Turntrans-68.6-16.8-179.3-67.4-2.3000113.9S66S66-N68 PolarHBondContact O-N 2.89Å; S66-N68 VanDerWaalsContact O-N 3.09Å
69K67.6Low77.4Confident115 Ų115123.6 Ų123.650%0.563%0.632SS.*THydrogen-bonded Turntrans-108.2-18.9-173.5-66.2-176.4-177.5175.30114Y63 S66 Y67Y63-K69 PolarHBondContact O-NZ 3.09Å; S66-K69 PolarHBondContact O-N 2.89Å; Y67-K69 PolarHBondContact O-N 3.11Å
70N68.7Low77.3Confident69 Ų69123.2 Ų123.237%0.36963%0.629SS.*  trans-136.7124.1-175.4-54.7-77.6000109.7K64 Y65 S66K64-N70 PolarHBondContact O-ND2 3.44Å; Y65-N70 WeakPolarHBondContact CA-ND2 3.41Å; S66-N70 PolarHBondContact O-N 3.24Å
71A65.3Low77.3Confident111 Ų111124 Ų12492%0.91763%0.634SS**SBendtrans-83.3-18-177.300000113.7
72E68.6Low77.4Confident168 Ų168124.6 Ų124.679%0.78564%0.64SS**SBendtrans-127.2142.9-177.9-63.4-170.3173.300111.5
73S70.6Confident77.5Confident110 Ų110123.5 Ų123.577%0.76963%0.632SS**  trans-87.2151.1172.8570000111.4
74G73.4Confident77.9Confident72 Ų72119.3 Ų119.374%0.74262%0.624SS**  trans-66.6136.6175.900000112
75K75.8Confident78.3Confident187 Ų187118.2 Ų118.281%0.81362%0.623SS**  trans-89.32.8-179.3-62.3179.5-178.91740114.4H77K75-H77 PolarHBondContact O-N 3.18Å
76M73.9Confident78.7Confident170 Ų170120.2 Ų120.284%0.83763%0.63SS**  trans-86.2110.8-178.1-67.8-170.9-178.800110.7
77H74.3Confident79.4Confident190 Ų190124.2 Ų124.288%0.8864%0.641SS**  trans-98.9-27.8176.4-71.3-74.5000113.9K75K75-H77 PolarHBondContact O-N 3.18Å
78H80.5Confident80.6Confident137 Ų137117.4 Ų117.463%0.63462%0.621SS**  trans-126.8125-177.1179.970.3000110.1E83H78-E83 IonicContact CE1-OE2 3.44Å; H78-E83 PolarHBondContact CE1-OE2 3.18Å; H78-E83 IonicContact ND1-OE2 3.6Å
79N87.1Confident81.6Confident65 Ų65114.6 Ų114.635%0.34861%0.605SS.*  trans-14298.4170.3-176.4-20.1000108.4I81 I82 E83N79-I81 PolarHBondContact O-N 2.92Å; N79-I81 VanDerWaalsContact O-N 3.13Å; N79-I81 WeakPolarHBondContact OD1-CB 3.49Å; N79-I81 PolarHBondContact OD1-N 3.11Å; N79-I81 VanDerWaalsContact OD1-N 3.09Å; N79-I82 HydrophobicContact CB-CB 4.21Å; N79-I82 HydrophobicContact CB-CD1 4.04Å; N79-I82 HydrophobicContact CB-CG1 4.19Å; N79-I82 VanDerWaalsContact ND2-CD1 3.33Å; N79-I82 WeakPolarHBondContact ND2-CD1 3.41Å; N79-I82 PolarHBondContact O-N 3.42Å; N79-I82 VanDerWaalsContact O-N 3.1Å; N79-I82 PolarHBondContact OD1-N 2.89Å; N79-E83 PolarHBondContact O-N 3.18Å
80A88.9Confident82.7Confident50 Ų50112.2 Ų112.241%0.41360%0.601SS.*Hα-helixtrans-55.7-29.7-178.500000113.6T84A80-T84 WeakPolarHBondContact O-CB 3.47Å; A80-T84 PolarHBondContact O-N 3.31Å; A80-T84 PolarHBondContact O-OG1 2.85Å
81I89.9Confident84Confident121 Ų121113.1 Ų113.162%0.62161%0.605SS**Hα-helixtrans-69.9-47.7178.3-60.4173.6000110N79 E83 T84 I85N79-I81 PolarHBondContact O-N 2.92Å; N79-I81 VanDerWaalsContact O-N 3.13Å; N79-I81 WeakPolarHBondContact OD1-CB 3.49Å; N79-I81 PolarHBondContact OD1-N 3.11Å; N79-I81 VanDerWaalsContact OD1-N 3.09Å; I81-E83 VanDerWaalsContact C-N 3.28Å; I81-E83 PolarHBondContact O-N 3.02Å; I81-T84 PolarHBondContact O-N 3.03Å; I81-I85 HydrophobicContact CG2-CD1 3.93Å; I81-I85 VanDerWaalsContact O-CG1 3.29Å; I81-I85 WeakPolarHBondContact O-CG1 3.38Å; I81-I85 PolarHBondContact O-N 2.87Å
82I88.1Confident85.3Confident106 Ų106112.8 Ų112.854%0.54459%0.587SS.*Hα-helixtrans-62.4-43176.2-65.6175.5000109.5N79 T84 I85 W86N79-I82 HydrophobicContact CB-CB 4.21Å; N79-I82 HydrophobicContact CB-CD1 4.04Å; N79-I82 HydrophobicContact CB-CG1 4.19Å; N79-I82 VanDerWaalsContact ND2-CD1 3.33Å; N79-I82 WeakPolarHBondContact ND2-CD1 3.41Å; N79-I82 PolarHBondContact O-N 3.42Å; N79-I82 VanDerWaalsContact O-N 3.1Å; N79-I82 PolarHBondContact OD1-N 2.89Å; I82-T84 VanDerWaalsContact C-N 3.29Å; I82-T84 PolarHBondContact O-N 2.78Å; I82-I85 PolarHBondContact O-N 2.83Å; I82-W86 PolarHBondContact O-N 2.66Å; I82-W86 VanDerWaalsContact O-N 3.1Å
83E89.6Confident86.5Confident102 Ų102106.7 Ų106.748%0.47756%0.559SS.*Hα-helixtrans-61.2-35.3178.4-166.5175.7167.700112.8H78 N79 I81 W86 F87H78-E83 IonicContact CE1-OE2 3.44Å; H78-E83 PolarHBondContact CE1-OE2 3.18Å; H78-E83 IonicContact ND1-OE2 3.6Å; N79-E83 PolarHBondContact O-N 3.18Å; I81-E83 VanDerWaalsContact C-N 3.28Å; I81-E83 PolarHBondContact O-N 3.02Å; E83-W86 PolarHBondContact O-NE1 2.8Å; E83-F87 WeakPolarHBondContact O-CB 3.39Å
84T93.1Very high87.5Confident83 Ų83105.9 Ų105.951%0.50955%0.549SS..Hα-helixtrans-72.5-43.7175.1-58.30000111.2A80 I81 I82 F87 V88A80-T84 WeakPolarHBondContact O-CB 3.47Å; A80-T84 PolarHBondContact O-N 3.31Å; A80-T84 PolarHBondContact O-OG1 2.85Å; I81-T84 PolarHBondContact O-N 3.03Å; I82-T84 VanDerWaalsContact C-N 3.29Å; I82-T84 PolarHBondContact O-N 2.78Å; T84-F87 PolarHBondContact O-N 3.02Å; T84-V88 HydrophobicContact CG2-CG2 3.95Å; T84-V88 WeakPolarHBondContact O-CB 3.39Å; T84-V88 VanDerWaalsContact O-CG2 3.26Å; T84-V88 WeakPolarHBondContact O-CG2 3.47Å; T84-V88 PolarHBondContact O-N 3.25Å
85I91.8Very high88.5Confident91 Ų91104.7 Ų104.747%0.46753%0.532SS..Hα-helixtrans-62.9-48.6-176-70.4167.5000111.5I81 I82 F87 V88 I89I81-I85 HydrophobicContact CG2-CD1 3.93Å; I81-I85 VanDerWaalsContact O-CG1 3.29Å; I81-I85 WeakPolarHBondContact O-CG1 3.38Å; I81-I85 PolarHBondContact O-N 2.87Å; I82-I85 PolarHBondContact O-N 2.83Å; I85-F87 PolarHBondContact O-N 2.88Å; I85-V88 PolarHBondContact O-N 3.37Å; I85-I89 HydrophobicContact CG2-CD1 3.54Å; I85-I89 HydrophobicContact CG2-CG1 4.35Å; I85-I89 WeakPolarHBondContact O-CB 2.98Å; I85-I89 VanDerWaalsContact O-CG1 3.3Å; I85-I89 WeakPolarHBondContact O-CG1 3.42Å; I85-I89 PolarHBondContact O-N 2.97Å; I85-I89 VanDerWaalsContact O-N 3.08Å
86W88Confident89.3Confident178 Ų17897.2 Ų97.267%0.67451%0.506SS*.Hα-helixtrans-71.5-15-179.385.7-62000113.3I82 E83 P90I82-W86 PolarHBondContact O-N 2.66Å; I82-W86 VanDerWaalsContact O-N 3.1Å; E83-W86 PolarHBondContact O-NE1 2.8Å; W86-P90 WeakPolarHBondContact O-CD 3.45Å; W86-P90 WeakPolarHBondContact O-CG 3.38Å
87F92.8Very high90.2Very high131 Ų13191.1 Ų91.158%0.57548%0.476SS*.Hα-helixtrans-86-44.4172178.7-100.9000112.1E83 T84 I85 P90 I91E83-F87 WeakPolarHBondContact O-CB 3.39Å; T84-F87 PolarHBondContact O-N 3.02Å; I85-F87 PolarHBondContact O-N 2.88Å; F87-P90 WeakPolarHBondContact O-CD 3.48Å; F87-I91 HydrophobicContact CD1-CD1 3.73Å; F87-I91 HydrophobicContact CE1-CD1 3.25Å; F87-I91 HydrophobicContact CE2-CD1 4.11Å; F87-I91 HydrophobicContact CG-CD1 4.34Å; F87-I91 HydrophobicContact CZ-CD1 3.48Å; F87-I91 VanDerWaalsContact CZ-CD1 3.48Å; F87-I91 WeakPolarHBondContact O-CG1 3.31Å
88V94.6Very high91.1Very high61 Ų6184.1 Ų84.137%0.3745%0.452SS..Hα-helixtrans-68.6-39.8-177.7170.40000111.9T84 I85 I91 I92T84-V88 HydrophobicContact CG2-CG2 3.95Å; T84-V88 WeakPolarHBondContact O-CB 3.39Å; T84-V88 VanDerWaalsContact O-CG2 3.26Å; T84-V88 WeakPolarHBondContact O-CG2 3.47Å; T84-V88 PolarHBondContact O-N 3.25Å; I85-V88 PolarHBondContact O-N 3.37Å; V88-I91 PolarHBondContact O-N 3Å; V88-I92 HydrophobicContact CG1-CD1 3.69Å; V88-I92 HydrophobicContact CG1-CG1 4.29Å; V88-I92 WeakPolarHBondContact O-CG1 3.42Å; V88-I92 PolarHBondContact O-N 3.15Å; V88-I92 VanDerWaalsContact O-N 3.09Å
89I91.3Very high91.6Very high89 Ų8983.6 Ų83.646%0.45645%0.452SS..Hα-helixtrans-60-51.7-178.4-70.9170.6000112.1I85 I91 I92 I93I85-I89 HydrophobicContact CG2-CD1 3.54Å; I85-I89 HydrophobicContact CG2-CG1 4.35Å; I85-I89 WeakPolarHBondContact O-CB 2.98Å; I85-I89 VanDerWaalsContact O-CG1 3.3Å; I85-I89 WeakPolarHBondContact O-CG1 3.42Å; I85-I89 PolarHBondContact O-N 2.97Å; I85-I89 VanDerWaalsContact O-N 3.08Å; I89-I91 VanDerWaalsContact C-N 3.3Å; I89-I91 PolarHBondContact O-N 2.99Å; I89-I92 PolarHBondContact O-N 3.31Å; I89-I93 HydrophobicContact CG2-CD1 3.73Å; I89-I93 HydrophobicContact CG2-CG1 4.44Å; I89-I93 WeakPolarHBondContact O-CG1 3.41Å; I89-I93 PolarHBondContact O-N 3.47Å
90P91.3Very high91.8Very high65 Ų6581.9 Ų81.942%0.42244%0.444SS..Hα-helixtrans-56.6-39.1175.5-28.835.9000114W86 F87 I92 I93 V94W86-P90 WeakPolarHBondContact O-CD 3.45Å; W86-P90 WeakPolarHBondContact O-CG 3.38Å; F87-P90 WeakPolarHBondContact O-CD 3.48Å; P90-I92 PolarHBondContact O-N 2.8Å; P90-I93 PolarHBondContact O-N 2.86Å; P90-V94 VanDerWaalsContact O-CG2 3.3Å; P90-V94 WeakPolarHBondContact O-CG2 3.49Å; P90-V94 PolarHBondContact O-N 3.22Å
91I94.3Very high91.9Very high88 Ų8882.8 Ų82.845%0.45145%0.445SS..Hα-helixtrans-62.2-45.6178-68.3171.7000110.9F87 V88 I89 I93 V94 A95F87-I91 HydrophobicContact CD1-CD1 3.73Å; F87-I91 HydrophobicContact CE1-CD1 3.25Å; F87-I91 HydrophobicContact CE2-CD1 4.11Å; F87-I91 HydrophobicContact CG-CD1 4.34Å; F87-I91 HydrophobicContact CZ-CD1 3.48Å; F87-I91 VanDerWaalsContact CZ-CD1 3.48Å; F87-I91 WeakPolarHBondContact O-CG1 3.31Å; V88-I91 PolarHBondContact O-N 3Å; I89-I91 VanDerWaalsContact C-N 3.3Å; I89-I91 PolarHBondContact O-N 2.99Å; I91-I93 VanDerWaalsContact C-N 3.33Å; I91-I93 PolarHBondContact O-N 3.35Å; I91-V94 PolarHBondContact O-N 3.26Å; I91-A95 WeakPolarHBondContact O-CB 3.33Å; I91-A95 PolarHBondContact O-N 2.77Å
92I94.3Very high92Very high105 Ų10580.6 Ų80.654%0.53844%0.437SS..Hα-helixtrans-62.4-42.6177.8-67.2170.8000110.8V88 I89 P90 A95 A96V88-I92 HydrophobicContact CG1-CD1 3.69Å; V88-I92 HydrophobicContact CG1-CG1 4.29Å; V88-I92 WeakPolarHBondContact O-CG1 3.42Å; V88-I92 PolarHBondContact O-N 3.15Å; V88-I92 VanDerWaalsContact O-N 3.09Å; I89-I92 PolarHBondContact O-N 3.31Å; P90-I92 PolarHBondContact O-N 2.8Å; I92-A95 PolarHBondContact O-N 3.37Å; I92-A96 WeakPolarHBondContact O-CB 3.35Å; I92-A96 PolarHBondContact O-N 3Å
93I92.3Very high92.1Very high39 Ų3982.3 Ų82.320%0.244%0.44CS..Hα-helixtrans-62.3-47.3178-69.5169.6000110.8F46 I50 I89 P90 I91 A95 A96 L97F46-I93 HydrophobicContact CD1-CG2 4.18Å; I50-I93 HydrophobicContact CD1-CD1 4.2Å; I50-I93 HydrophobicContact CD1-CG2 3.91Å; I50-I93 HydrophobicContact CG1-CD1 4.14Å; I89-I93 HydrophobicContact CG2-CD1 3.73Å; I89-I93 HydrophobicContact CG2-CG1 4.44Å; I89-I93 WeakPolarHBondContact O-CG1 3.41Å; I89-I93 PolarHBondContact O-N 3.47Å; P90-I93 PolarHBondContact O-N 2.86Å; I91-I93 VanDerWaalsContact C-N 3.33Å; I91-I93 PolarHBondContact O-N 3.35Å; I93-A95 VanDerWaalsContact C-N 3.33Å; I93-A95 PolarHBondContact O-N 2.66Å; I93-A96 PolarHBondContact O-N 3.05Å; I93-L97 HydrophobicContact CG2-CD1 4.26Å; I93-L97 WeakPolarHBondContact O-CG 3.39Å; I93-L97 PolarHBondContact O-N 3.1Å
94V93Very high92Very high93 Ų9378.5 Ų78.556%0.56442%0.424SS*.Hα-helixtrans-62-42.4178.2171.30000110.6P90 I91 A96 L97 A98P90-V94 VanDerWaalsContact O-CG2 3.3Å; P90-V94 WeakPolarHBondContact O-CG2 3.49Å; P90-V94 PolarHBondContact O-N 3.22Å; I91-V94 PolarHBondContact O-N 3.26Å; V94-A96 VanDerWaalsContact C-N 3.34Å; V94-A96 PolarHBondContact O-N 3.12Å; V94-L97 PolarHBondContact O-N 2.95Å; V94-A98 VanDerWaalsContact O-CB 3.3Å; V94-A98 WeakPolarHBondContact O-CB 3.49Å; V94-A98 PolarHBondContact O-N 3.01Å
95A93.9Very high91.7Very high47 Ų4780.1 Ų80.139%0.38843%0.429SS..Hα-helixtrans-60.6-42.8175.100000112.1I91 I92 I93 L97 A98 I99I91-A95 WeakPolarHBondContact O-CB 3.33Å; I91-A95 PolarHBondContact O-N 2.77Å; I92-A95 PolarHBondContact O-N 3.37Å; I93-A95 VanDerWaalsContact C-N 3.33Å; I93-A95 PolarHBondContact O-N 2.66Å; A95-L97 VanDerWaalsContact C-N 3.27Å; A95-L97 PolarHBondContact O-N 3.35Å; A95-A98 PolarHBondContact O-N 3.08Å; A95-I99 WeakPolarHBondContact O-CG1 3.46Å; A95-I99 PolarHBondContact O-N 3.08Å
96A92.5Very high91.5Very high31 Ų3183.3 Ų83.326%0.25644%0.436SS..Hα-helixtrans-64.9-27.9177.600000113.5Y42 F46 I92 I93 V94 P100Y42-A96 PolarHBondContact OH-O 3.14Å; F46-A96 HydrophobicContact CE1-CB 4.29Å; F46-A96 HydrophobicContact CZ-CB 4.38Å; I92-A96 WeakPolarHBondContact O-CB 3.35Å; I92-A96 PolarHBondContact O-N 3Å; I93-A96 PolarHBondContact O-N 3.05Å; V94-A96 VanDerWaalsContact C-N 3.34Å; V94-A96 PolarHBondContact O-N 3.12Å; A96-P100 WeakPolarHBondContact O-CD 3.37Å
97L92.3Very high91.3Very high42 Ų4278.5 Ų78.522%0.2242%0.424CS..Hα-helixtrans-83.5-36.1173.4-67.7173.9000112.4Y42 F46 I93 V94 A95 P100 T101Y42-L97 HydrophobicContact CD1-CD2 3.99Å; Y42-L97 HydrophobicContact CE1-CD2 3.81Å; F46-L97 HydrophobicContact CB-CD2 3.98Å; F46-L97 HydrophobicContact CD1-CD2 4.36Å; F46-L97 HydrophobicContact CD2-CD2 3.97Å; F46-L97 HydrophobicContact CG-CD2 3.83Å; F46-L97 HydrophobicContact CG-CG 4.48Å; I93-L97 HydrophobicContact CG2-CD1 4.26Å; I93-L97 WeakPolarHBondContact O-CG 3.39Å; I93-L97 PolarHBondContact O-N 3.1Å; V94-L97 PolarHBondContact O-N 2.95Å; A95-L97 VanDerWaalsContact C-N 3.27Å; A95-L97 PolarHBondContact O-N 3.35Å; L97-P100 WeakPolarHBondContact O-CD 3.37Å; L97-P100 WeakPolarHBondContact O-CG 3.34Å; L97-T101 WeakPolarHBondContact O-CB 3.39Å; L97-T101 PolarHBondContact O-N 3.35Å; L97-T101 PolarHBondContact O-OG1 3.23Å
98A92.5Very high90.9Very high43 Ų4374.1 Ų74.136%0.35540%0.404SS..Hα-helixtrans-67.4-43-176.400000112.5V94 A95 T101 V102V94-A98 VanDerWaalsContact O-CB 3.3Å; V94-A98 WeakPolarHBondContact O-CB 3.49Å; V94-A98 PolarHBondContact O-N 3.01Å; A95-A98 PolarHBondContact O-N 3.08Å; A98-T101 WeakPolarHBondContact O-CB 3.07Å; A98-T101 PolarHBondContact O-N 3.23Å; A98-V102 WeakPolarHBondContact O-CG2 3.31Å; A98-V102 PolarHBondContact O-N 2.89Å
99I92.6Very high90.2Very high125 Ų12576.1 Ų76.164%0.64141%0.409SS*.Hα-helixtrans-55.1-56.7-177.3-66.4164.4000112.8A95 T101 K103A95-I99 WeakPolarHBondContact O-CG1 3.46Å; A95-I99 PolarHBondContact O-N 3.08Å; I99-T101 VanDerWaalsContact C-N 3.29Å; I99-T101 PolarHBondContact O-N 3.32Å; I99-K103 PolarHBondContact O-N 3.32Å; I99-K103 VanDerWaalsContact O-N 3.12Å
100P91.6Very high89.4Confident29 Ų2976.2 Ų76.219%0.18841%0.406CS..Hα-helixtrans-66.2-32.3179.325.8-34.5000112.5L39 Y42 A96 L97 T104L39-P100 HydrophobicContact CD2-CB 3.96Å; Y42-P100 HydrophobicContact CD1-CG 4.44Å; Y42-P100 HydrophobicContact CE1-CG 3.86Å; A96-P100 WeakPolarHBondContact O-CD 3.37Å; L97-P100 WeakPolarHBondContact O-CD 3.37Å; L97-P100 WeakPolarHBondContact O-CG 3.34Å; P100-T104 VanDerWaalsContact O-CB 3.3Å; P100-T104 WeakPolarHBondContact O-CB 3.37Å; P100-T104 PolarHBondContact O-N 2.98Å; P100-T104 PolarHBondContact O-OG1 3.12Å
101T90.8Very high88.4Confident69 Ų6978.1 Ų78.142%0.42342%0.419SS..Hα-helixtrans-63.6-50.2178-58.90000111.4L97 A98 I99 T104 L105L97-T101 WeakPolarHBondContact O-CB 3.39Å; L97-T101 PolarHBondContact O-N 3.35Å; L97-T101 PolarHBondContact O-OG1 3.23Å; A98-T101 WeakPolarHBondContact O-CB 3.07Å; A98-T101 PolarHBondContact O-N 3.23Å; I99-T101 VanDerWaalsContact C-N 3.29Å; I99-T101 PolarHBondContact O-N 3.32Å; T101-T104 PolarHBondContact O-N 3.46Å; T101-L105 WeakPolarHBondContact O-CB 3.39Å; T101-L105 PolarHBondContact O-N 3.35Å
102V91.9Very high87.2Confident75 Ų7575.7 Ų75.746%0.45541%0.408SS..Hα-helixtrans-63.6-45.5179173.60000110.8A98 T104 L105 Y106A98-V102 WeakPolarHBondContact O-CG2 3.31Å; A98-V102 PolarHBondContact O-N 2.89Å; V102-T104 VanDerWaalsContact C-N 3.29Å; V102-T104 PolarHBondContact O-N 3.06Å; V102-L105 WeakPolarHBondContact O-CB 3.26Å; V102-L105 PolarHBondContact O-N 3.37Å; V102-Y106 HydrophobicContact CG1-CD2 3.79Å; V102-Y106 HydrophobicContact CG1-CE2 3.6Å; V102-Y106 VanDerWaalsContact O-CD2 3.26Å; V102-Y106 WeakPolarHBondContact O-CD2 3.25Å; V102-Y106 PolarHBondContact O-N 3.38Å; V102-Y106 VanDerWaalsContact O-N 3.12Å
103K90.4Very high85.6Confident142 Ų14279.7 Ų79.762%0.61742%0.422SS*.Hα-helixtrans-56.6-46.2178.1-176.1177.8177.7-178.60111.6I99 Y106 D107I99-K103 PolarHBondContact O-N 3.32Å; I99-K103 VanDerWaalsContact O-N 3.12Å; K103-Y106 PolarHBondContact O-N 3Å; K103-D107 PolarHBondContact O-N 2.9Å; K103-D107 VanDerWaalsContact O-N 3.12Å
104T87.6Confident83.9Confident22 Ų2280 Ų8014%0.13543%0.428CS..Hα-helixtrans-68-37.3-179.1-55.80000112.2L39 P100 T101 V102 Y106 D107 Y108L39-T104 HydrophobicContact CD1-CG2 3.55Å; P100-T104 VanDerWaalsContact O-CB 3.3Å; P100-T104 WeakPolarHBondContact O-CB 3.37Å; P100-T104 PolarHBondContact O-N 2.98Å; P100-T104 PolarHBondContact O-OG1 3.12Å; T101-T104 PolarHBondContact O-N 3.46Å; V102-T104 VanDerWaalsContact C-N 3.29Å; V102-T104 PolarHBondContact O-N 3.06Å; T104-Y106 PolarHBondContact O-N 3.35Å; T104-D107 PolarHBondContact O-N 2.9Å; T104-D107 VanDerWaalsContact O-N 3.16Å; T104-Y108 HydrophobicContact CG2-CD1 4.41Å; T104-Y108 HydrophobicContact CG2-CD2 4.19Å; T104-Y108 HydrophobicContact CG2-CE1 3.68Å; T104-Y108 HydrophobicContact CG2-CE2 3.44Å; T104-Y108 VanDerWaalsContact CG2-CE2 3.44Å; T104-Y108 WeakPolarHBondContact CG2-OH 3.37Å; T104-Y108 PolarHBondContact O-N 3.02Å; T104-Y108 VanDerWaalsContact O-N 3.09Å
105L86.7Confident81.8Confident117 Ų11785.4 Ų85.461%0.61345%0.447SS*.Hα-helixtrans-59.1-46.3175-179.962.8000111.7T101 V102 D107 Y108 E109T101-L105 WeakPolarHBondContact O-CB 3.39Å; T101-L105 PolarHBondContact O-N 3.35Å; V102-L105 WeakPolarHBondContact O-CB 3.26Å; V102-L105 PolarHBondContact O-N 3.37Å; L105-D107 VanDerWaalsContact C-N 3.29Å; L105-D107 PolarHBondContact O-N 3.02Å; L105-Y108 PolarHBondContact O-N 3.35Å; L105-E109 PolarHBondContact O-N 3.01Å
106Y86.5Confident80Confident159 Ų15989.7 Ų89.762%0.62446%0.457SS*.Hα-helixtrans-65.2-31.8175.6-81.3-73.5000112.9V102 K103 T104 K110V102-Y106 HydrophobicContact CG1-CD2 3.79Å; V102-Y106 HydrophobicContact CG1-CE2 3.6Å; V102-Y106 VanDerWaalsContact O-CD2 3.26Å; V102-Y106 WeakPolarHBondContact O-CD2 3.25Å; V102-Y106 PolarHBondContact O-N 3.38Å; V102-Y106 VanDerWaalsContact O-N 3.12Å; K103-Y106 PolarHBondContact O-N 3Å; T104-Y106 PolarHBondContact O-N 3.35Å; Y106-K110 WeakPolarHBondContact O-CE 3.42Å; Y106-K110 VanDerWaalsContact O-CG 3.29Å; Y106-K110 WeakPolarHBondContact O-CG 3.17Å; Y106-K110 PolarHBondContact O-N 2.65Å
107D84.8Confident79Confident76 Ų7692.5 Ų92.541%0.40647%0.467SS..Hα-helixtrans-71.8-29.8178.3-72.8-22.7000112.6K103 T104 L105 K110K103-D107 PolarHBondContact O-N 2.9Å; K103-D107 VanDerWaalsContact O-N 3.12Å; T104-D107 PolarHBondContact O-N 2.9Å; T104-D107 VanDerWaalsContact O-N 3.16Å; L105-D107 VanDerWaalsContact C-N 3.29Å; L105-D107 PolarHBondContact O-N 3.02Å; D107-K110 IonicContact OD1-NZ 2.7Å; D107-K110 PolarHBondContact OD1-NZ 2.61Å
108Y83.1Confident78.5Confident40 Ų4092.1 Ų92.116%0.15747%0.467CS..Hα-helixtrans-75.3-32.5177.4-63.7-23.4000114.6V32 S35 Q36 T104 L105 K110V32-Y108 HydrophobicContact CB-CE1 4.32Å; V32-Y108 HydrophobicContact CG1-CD1 4.03Å; V32-Y108 HydrophobicContact CG1-CE1 3.83Å; V32-Y108 HydrophobicContact CG2-CD1 4.29Å; V32-Y108 HydrophobicContact CG2-CE1 4.43Å; V32-Y108 PolarHBondContact O-OH 3.05Å; S35-Y108 WeakPolarHBondContact CB-OH 3.43Å; Q36-Y108 HydrophobicContact CG-CE2 4.04Å; Q36-Y108 VanDerWaalsContact CG-OH 3.24Å; Q36-Y108 WeakPolarHBondContact CG-OH 3.4Å; Q36-Y108 PolarHBondContact N-OH 2.86Å; T104-Y108 HydrophobicContact CG2-CD1 4.41Å; T104-Y108 HydrophobicContact CG2-CD2 4.19Å; T104-Y108 HydrophobicContact CG2-CE1 3.68Å; T104-Y108 HydrophobicContact CG2-CE2 3.44Å; T104-Y108 VanDerWaalsContact CG2-CE2 3.44Å; T104-Y108 WeakPolarHBondContact CG2-OH 3.37Å; T104-Y108 PolarHBondContact O-N 3.02Å; T104-Y108 VanDerWaalsContact O-N 3.09Å; L105-Y108 PolarHBondContact O-N 3.35Å; Y108-K110 VanDerWaalsContact C-N 3.33Å
109E79.5Confident78.4Confident103 Ų10390 Ų9048%0.48145%0.45SS..Hα-helixtrans-84.1-12.3179.9-168.661.4-157.500112.2L105 K175 K348L105-E109 PolarHBondContact O-N 3.01Å; E109-K175 IonicContact OE2-NZ 3.3Å; E109-K175 PolarHBondContact OE2-NZ 3.15Å; E109-K348 IonicContact OE1-NZ 3.6Å
110K75.9Confident78.4Confident91 Ų9184.6 Ų84.640%0.39642%0.423SS..SBendtrans-64.5136.6176-79.8167.1-162.6166.10110.3Y106 D107 Y108Y106-K110 WeakPolarHBondContact O-CE 3.42Å; Y106-K110 VanDerWaalsContact O-CG 3.29Å; Y106-K110 WeakPolarHBondContact O-CG 3.17Å; Y106-K110 PolarHBondContact O-N 2.65Å; D107-K110 IonicContact OD1-NZ 2.7Å; D107-K110 PolarHBondContact OD1-NZ 2.61Å; Y108-K110 VanDerWaalsContact C-N 3.33Å
111P70.8Confident78.5Confident105 Ų10583.2 Ų83.268%0.68241%0.414SS*.PPolyproline II helixtrans-60149.1168.926.7-32.9000109.7K113P111-K113 PolarHBondContact O-N 2.86Å
112P67.8Low78.7Confident36 Ų3680.3 Ų80.323%0.23440%0.395CS..PPolyproline II helixtrans-58.8130.6-176.922.5-31000110.6S114 P118 P152 V154 T186P112-S114 PolarHBondContact O-N 3.21Å; P112-P118 HydrophobicContact CG-CB 3.69Å; P112-P118 HydrophobicContact CG-CG 4.05Å; P112-P152 HydrophobicContact CB-CB 3.52Å; P112-P152 HydrophobicContact CB-CG 3.77Å; P112-P152 HydrophobicContact CG-CB 3.98Å; P112-V154 HydrophobicContact CG-CG2 4.26Å; P112-T186 HydrophobicContact CB-CG2 4.18Å; P112-T186 HydrophobicContact CG-CG2 4.06Å
113K60.3Low79Confident190 Ų19076.8 Ų76.883%0.82637%0.374SS*.  trans-79.617.2177.8-64.6-173.8178.5-177.50113.6P111P111-K113 PolarHBondContact O-N 2.86Å
114S57.6Low79.2Confident46 Ų4670 Ų7032%0.32234%0.344SS..  trans-72.8136.1-172.3177.60000111P112 K116P112-S114 PolarHBondContact O-N 3.21Å; S114-K116 WeakPolarHBondContact CB-O 3.25Å; S114-K116 PolarHBondContact O-N 2.99Å; S114-K116 WeakPolarHBondContact OG-CB 3.29Å; S114-K116 PolarHBondContact OG-N 2.95Å; S114-K116 PolarHBondContact OG-O 2.83Å; S114-K116 VanDerWaalsContact OG-O 3.11Å
115E48.8Very low79.6Confident206 Ų20669 Ų6996%0.96334%0.338SS*.SBendtrans-61-23.5167.1-69.3-178.8164.600111.9
116K56.6Low79.9Confident137 Ų13763.4 Ų63.460%0.59631%0.309SS*.SBendtrans-88.6128.8176.8-58.3178.2-178.1174.40109.8S114 P118S114-K116 WeakPolarHBondContact CB-O 3.25Å; S114-K116 PolarHBondContact O-N 2.99Å; S114-K116 WeakPolarHBondContact OG-CB 3.29Å; S114-K116 PolarHBondContact OG-N 2.95Å; S114-K116 PolarHBondContact OG-O 2.83Å; S114-K116 VanDerWaalsContact OG-O 3.11Å; K116-P118 VanDerWaalsContact O-N 3.16Å
117D71.1Confident80.1Confident89 Ų8955.8 Ų55.848%0.47628%0.279SS..PPolyproline II helixtrans-47.9117.5176.2-168.524.1000110M119 R151 K337D117-M119 PolarHBondContact O-N 2.59Å; D117-R151 PolarHBondContact O-NE 3.46Å; D117-R151 PolarHBondContact O-NH2 2.88Å; D117-K337 IonicContact OD1-NZ 3.91Å; D117-K337 IonicContact OD2-NZ 2.74Å; D117-K337 PolarHBondContact OD2-NZ 3.34Å
118P81.8Confident80.5Confident34 Ų3454 Ų5422%0.22127%0.267CS..PPolyproline II helixtrans-60.1137.3179.925.1-34.2000109.8P112 K116 V154P112-P118 HydrophobicContact CG-CB 3.69Å; P112-P118 HydrophobicContact CG-CG 4.05Å; K116-P118 VanDerWaalsContact O-N 3.16Å; P118-V154 HydrophobicContact CB-CG2 3.94Å; P118-V154 HydrophobicContact CG-CG2 4.47Å
119M89.6Confident81Confident0 Ų052.1 Ų52.10%026%0.259CS..EExtended strand (participates in β ladder)trans-73.1131.8176.3-179.2-179.2176.600109.1D117 V121 Y134 P148 P152 V153 V154 Y222D117-M119 PolarHBondContact O-N 2.59Å; M119-V121 HydrophobicContact CE-CG2 3.78Å; M119-V121 HydrophobicContact CG-CG2 4.29Å; M119-Y134 HydrophobicContact CE-CD1 3.24Å; M119-Y134 HydrophobicContact CE-CE1 3.39Å; M119-P148 VanDerWaalsContact SD-CD 3.52Å; M119-P148 HydrophobicContact SD-CG 4.07Å; M119-P152 PolarHBondContact N-O 3.34Å; M119-V153 HydrophobicContact CB-CG2 4.27Å; M119-V153 HydrophobicContact CG-CG1 4.48Å; M119-V153 CarbonylContact O-C 3.51Å; M119-V153 VanDerWaalsContact O-CA 3.31Å; M119-V153 WeakPolarHBondContact O-CA 3.27Å; M119-V153 HydrophobicContact SD-CG2 4.15Å; M119-V154 PolarHBondContact O-N 2.97Å; M119-Y222 HydrophobicContact CE-CE2 3.89Å; M119-Y222 WeakPolarHBondContact CE-OH 3.24Å
120V92.3Very high81.8Confident11 Ų1147.2 Ų47.27%0.06724%0.236CC..EExtended strand (participates in β ladder)trans-100.8131177.1-177.80000109.1Y122 P135 K156 Y332V120-Y122 HydrophobicContact CG1-CD2 4.21Å; V120-Y122 HydrophobicContact CG1-CE2 3.88Å; V120-P135 HydrophobicContact CB-CG 4.43Å; V120-P135 HydrophobicContact CG1-CG 4.44Å; V120-P135 WeakPolarHBondContact O-CD 3.36Å; V120-K156 HydrophobicContact CG1-CG 3.85Å; V120-Y332 HydrophobicContact CB-CE1 4.24Å; V120-Y332 HydrophobicContact CG2-CE1 4.21Å
121V95Very high82.8Confident0 Ų043 Ų430%022%0.218CC..EExtended strand (participates in β ladder)trans-131.9123.8174.8178.60000108.9M119 F132 Y134 L145 V153 V154 F155 K156M119-V121 HydrophobicContact CE-CG2 3.78Å; M119-V121 HydrophobicContact CG-CG2 4.29Å; V121-F132 HydrophobicContact CG1-CB 4.14Å; V121-F132 HydrophobicContact CG1-CD1 4.29Å; V121-Y134 HydrophobicContact CG2-CD1 3.85Å; V121-Y134 HydrophobicContact CG2-CE1 3.88Å; V121-L145 HydrophobicContact CG1-CD1 3.99Å; V121-V153 HydrophobicContact CB-CG1 4.14Å; V121-V153 HydrophobicContact CG2-CG1 3.65Å; V121-V154 PolarHBondContact N-O 2.58Å; V121-F155 HydrophobicContact CB-CD1 4.08Å; V121-F155 HydrophobicContact CB-CE1 4.12Å; V121-F155 HydrophobicContact CG1-CD1 4.24Å; V121-F155 HydrophobicContact CG1-CE1 4.19Å; V121-F155 CarbonylContact O-C 3.59Å; V121-F155 VanDerWaalsContact O-CA 3.27Å; V121-F155 WeakPolarHBondContact O-CA 3.29Å; V121-K156 PolarHBondContact O-N 3.4Å
122Y95.6Very high84Confident8 Ų838 Ų383%0.03119%0.185CC..EExtended strand (participates in β ladder)trans-83.6117.3172.1-75.7-105.3000109.1V120 F132 A133 P135 K156 M260 E340V120-Y122 HydrophobicContact CG1-CD2 4.21Å; V120-Y122 HydrophobicContact CG1-CE2 3.88Å; Y122-F132 CarbonylContact O-C 3.59Å; Y122-F132 VanDerWaalsContact O-CA 3.28Å; Y122-F132 WeakPolarHBondContact O-CA 3.45Å; Y122-A133 PolarHBondContact N-O 3.37Å; Y122-A133 PolarHBondContact O-N 3.2Å; Y122-P135 HydrophobicContact CD2-CG 4.15Å; Y122-P135 HydrophobicContact CE2-CG 4.12Å; Y122-K156 HydrophobicContact CD1-CB 3.6Å; Y122-K156 HydrophobicContact CD1-CG 4.19Å; Y122-K156 HydrophobicContact CD2-CB 4.31Å; Y122-K156 HydrophobicContact CD2-CG 4.23Å; Y122-K156 HydrophobicContact CE1-CB 3.81Å; Y122-K156 HydrophobicContact CE1-CG 4.02Å; Y122-K156 HydrophobicContact CE2-CB 4.48Å; Y122-K156 HydrophobicContact CE2-CG 4.05Å; Y122-K156 HydrophobicContact CG-CB 3.88Å; Y122-K156 HydrophobicContact CG-CG 4.3Å; Y122-M260 HydrophobicContact CD1-SD 4.22Å; Y122-M260 HydrophobicContact CD2-CE 4.13Å; Y122-M260 HydrophobicContact CD2-SD 3.69Å; Y122-M260 HydrophobicContact CE1-SD 4.33Å; Y122-M260 HydrophobicContact CE2-SD 3.83Å; Y122-M260 HydrophobicContact CG-SD 3.9Å; Y122-E340 PolarHBondContact OH-OE2 2.88Å
123A96.5Very high85.4Confident0 Ų036.2 Ų36.20%017%0.174CC..EExtended strand (participates in β ladder)trans-111.2103.4-179.200000108.6F131 F132 F155 K156 L157 Q158A123-F131 CarbonylContact C-O 3.54Å; A123-F131 WeakPolarHBondContact CA-O 3.48Å; A123-F132 HydrophobicContact CB-CD1 3.76Å; A123-F132 HydrophobicContact CB-CE1 3.74Å; A123-F155 HydrophobicContact CB-CD1 4.28Å; A123-K156 PolarHBondContact N-O 2.84Å; A123-L157 HydrophobicContact CB-CD2 3.81Å; A123-L157 WeakPolarHBondContact O-CA 3.35Å; A123-Q158 PolarHBondContact O-N 3.17Å
124V96.1Very high87Confident0 Ų027.2 Ų27.20%014%0.135CC..EExtended strand (participates in β ladder)trans-108.1129.1-174.6-172.70000109.7F131 Q158 M160 P265V124-F131 HydrophobicContact CB-CB 4.32Å; V124-F131 PolarHBondContact N-O 2.83Å; V124-F131 PolarHBondContact O-N 2.85Å; V124-Q158 CarbonylContact C-O 3.5Å; V124-Q158 VanDerWaalsContact CA-O 3.3Å; V124-Q158 WeakPolarHBondContact CA-O 3.49Å; V124-Q158 HydrophobicContact CG2-CB 4.29Å; V124-M160 HydrophobicContact CG1-CE 4.3Å; V124-M160 HydrophobicContact CG1-CG 3.78Å; V124-M160 HydrophobicContact CG1-SD 4.29Å; V124-P265 HydrophobicContact CG1-CB 4.26Å; V124-P265 HydrophobicContact CG1-CG 3.93Å; V124-P265 HydrophobicContact CG2-CG 4.07Å
125S95.4Very high88.7Confident0 Ų025 Ų250%012%0.12CC..EExtended strand (participates in β ladder)trans-96.7130.7172.166.20000111.5Q158 A159 M160 T164S125-Q158 PolarHBondContact N-O 3.44Å; S125-A159 WeakPolarHBondContact OG-CA 3.48Å; S125-A159 VanDerWaalsContact OG-CB 3.26Å; S125-A159 WeakPolarHBondContact OG-CB 3.13Å; S125-M160 PolarHBondContact O-N 2.83Å; S125-T164 WeakPolarHBondContact CB-OG1 3.29Å; S125-T164 WeakPolarHBondContact OG-CG2 3.36Å; S125-T164 PolarHBondContact OG-OG1 2.91Å
126A93.9Very high90.7Very high0 Ų017.6 Ų17.60%09%0.086CC..EExtended strand (participates in β ladder)trans-157.8144.7170.200000111.3Y128 K129 F131 M160 L244A126-Y128 VanDerWaalsContact C-N 3.26Å; A126-Y128 PolarHBondContact O-N 2.96Å; A126-Y128 VanDerWaalsContact O-N 3.16Å; A126-K129 PolarHBondContact N-O 2.75Å; A126-K129 PolarHBondContact O-N 2.97Å; A126-F131 HydrophobicContact CB-CD2 4.4Å; A126-F131 HydrophobicContact CB-CE2 3.9Å; A126-M160 HydrophobicContact CB-CB 3.96Å; A126-M160 HydrophobicContact CB-CG 4.45Å; A126-M160 HydrophobicContact CB-SD 4.23Å; A126-L244 HydrophobicContact CB-CD2 3.54Å
127G89.9Confident92.4Very high0 Ų012.2 Ų12.20%06%0.063CC..THydrogen-bonded Turntrans54.840.6169.700000113.4K129 D161 L244G127-K129 VanDerWaalsContact C-N 3.25Å; G127-K129 PolarHBondContact O-N 2.88Å; G127-K129 PolarHBondContact O-NZ 2.83Å; G127-D161 PolarHBondContact N-OD2 3.47Å; G127-L244 WeakPolarHBondContact CA-O 3.32Å
128Y92.1Very high93.4Very high39 Ų399.4 Ų9.415%0.1535%0.047CC..THydrogen-bonded Turntrans59.428.4-176.4-48.1-68.7000115.5A126 N203 G204 E205 G206 Q210 P246 N250A126-Y128 VanDerWaalsContact C-N 3.26Å; A126-Y128 PolarHBondContact O-N 2.96Å; A126-Y128 VanDerWaalsContact O-N 3.16Å; Y128-N203 WeakPolarHBondContact CE1-O 3.31Å; Y128-G204 WeakPolarHBondContact OH-CA 3.44Å; Y128-E205 PolarHBondContact OH-N 2.78Å; Y128-E205 VanDerWaalsContact OH-N 3.15Å; Y128-G206 WeakPolarHBondContact CB-O 3.38Å; Y128-G206 VanDerWaalsContact CD1-CA 3.44Å; Y128-G206 VanDerWaalsContact CG-CA 3.43Å; Y128-G206 VanDerWaalsContact CZ-N 3.3Å; Y128-Q210 WeakPolarHBondContact O-CG 3.44Å; Y128-P246 HydrophobicContact CD2-CB 3.88Å; Y128-P246 HydrophobicContact CD2-CG 4.43Å; Y128-P246 HydrophobicContact CE2-CB 3.82Å; Y128-P246 HydrophobicContact CE2-CG 4.22Å; Y128-N250 PolarHBondContact O-ND2 3.36Å
129K94.8Very high94Very high0 Ų07.8 Ų7.80%04%0.037CC..EExtended strand (participates in β ladder)trans-131.7163.9177.2-65.9179.2-64.2-68.40110.6A126 G127 F131 V142 Q210 Q243 L245 T248 N250A126-K129 PolarHBondContact N-O 2.75Å; A126-K129 PolarHBondContact O-N 2.97Å; G127-K129 VanDerWaalsContact C-N 3.25Å; G127-K129 PolarHBondContact O-N 2.88Å; G127-K129 PolarHBondContact O-NZ 2.83Å; K129-F131 HydrophobicContact CB-CE2 4.1Å; K129-F131 HydrophobicContact CB-CZ 4.45Å; K129-V142 HydrophobicContact CB-CG1 4.28Å; K129-V142 HydrophobicContact CD-CG1 4.17Å; K129-Q210 PolarHBondContact O-NE2 2.85Å; K129-Q243 WeakPolarHBondContact CE-O 3.45Å; K129-Q243 PolarHBondContact NZ-O 3.15Å; K129-L245 PolarHBondContact NZ-O 2.82Å; K129-T248 WeakPolarHBondContact CE-OG1 3.47Å; K129-T248 PolarHBondContact NZ-OG1 3.05Å; K129-N250 WeakPolarHBondContact CD-OD1 3.32Å; K129-N250 WeakPolarHBondContact CG-OD1 3.4Å
130W96.2Very high94.3Very high0 Ų07.8 Ų7.80%04%0.037CC..EExtended strand (participates in β ladder)trans-115129.2171.2-73.896.2000109.8F132 V142 N143 T164 F166 A177 F212W130-F132 HydrophobicContact CB-CE1 4.36Å; W130-F132 HydrophobicContact CB-CE2 3.7Å; W130-F132 HydrophobicContact CB-CZ 3.59Å; W130-F132 HydrophobicContact CG-CZ 4.21Å; W130-V142 CarbonylContact O-C 3.57Å; W130-V142 WeakPolarHBondContact O-CA 3.4Å; W130-N143 PolarHBondContact N-OD1 3.1Å; W130-N143 VanDerWaalsContact N-OD1 3.11Å; W130-N143 PolarHBondContact O-N 2.83Å; W130-T164 WeakPolarHBondContact CH2-OG1 3.44Å; W130-T164 WeakPolarHBondContact CZ2-OG1 3.44Å; W130-F166 HydrophobicContact CD2-CD2 4.3Å; W130-F166 HydrophobicContact CE3-CD2 4.11Å; W130-F166 HydrophobicContact CH2-CB 3.7Å; W130-F166 HydrophobicContact CH2-CD2 4.04Å; W130-F166 HydrophobicContact CH2-CG 4.38Å; W130-F166 HydrophobicContact CZ2-CB 4.15Å; W130-F166 HydrophobicContact CZ2-CD2 4.21Å; W130-F166 HydrophobicContact CZ3-CB 4.24Å; W130-F166 AromaticContact CZ3-CD2 3.98Å; W130-F166 HydrophobicContact CZ3-CD2 3.98Å; W130-A177 HydrophobicContact CH2-CB 4.01Å; W130-A177 HydrophobicContact CZ3-CB 4.29Å; W130-F212 HydrophobicContact CB-CD1 4.32Å; W130-F212 AromaticContact CD1-CD1 3.38Å; W130-F212 AromaticContact CD1-CE1 3.72Å; W130-F212 HydrophobicContact CD2-CE1 4.44Å; W130-F212 AromaticContact CG-CD1 3.87Å; W130-F212 HydrophobicContact CG-CD1 3.87Å; W130-F212 HydrophobicContact CG-CE1 4.12Å; W130-F212 AromaticContact NE1-CD1 3.87Å; W130-F212 AromaticContact NE1-CE1 3.76Å
131F96.2Very high94.6Very high1 Ų17.3 Ų7.30%0.0043%0.034CC..EExtended strand (participates in β ladder)trans-105.9128.2174.2-59.2-97.5000107.9A123 V124 A126 K129 T141 V142 F240 Q243 L244A123-F131 CarbonylContact C-O 3.54Å; A123-F131 WeakPolarHBondContact CA-O 3.48Å; V124-F131 HydrophobicContact CB-CB 4.32Å; V124-F131 PolarHBondContact N-O 2.83Å; V124-F131 PolarHBondContact O-N 2.85Å; A126-F131 HydrophobicContact CB-CD2 4.4Å; A126-F131 HydrophobicContact CB-CE2 3.9Å; K129-F131 HydrophobicContact CB-CE2 4.1Å; K129-F131 HydrophobicContact CB-CZ 4.45Å; F131-T141 CarbonylContact C-O 3.54Å; F131-T141 WeakPolarHBondContact CA-O 3.41Å; F131-V142 HydrophobicContact CD1-CG1 4.46Å; F131-V142 HydrophobicContact CD1-CG2 3.73Å; F131-V142 HydrophobicContact CE1-CG1 4.25Å; F131-V142 HydrophobicContact CE1-CG2 3.82Å; F131-F240 HydrophobicContact CD1-CE2 4.13Å; F131-F240 HydrophobicContact CE1-CE2 4.34Å; F131-Q243 HydrophobicContact CE1-CB 3.67Å; F131-Q243 HydrophobicContact CZ-CB 3.83Å; F131-L244 HydrophobicContact CE2-CD2 4.06Å; F131-L244 HydrophobicContact CZ-CD2 4.04Å
132F97.2Very high94.6Very high0 Ų07.3 Ų7.30%03%0.034CC..EExtended strand (participates in β ladder)trans-118.3106.4-179.9-59.4-70.6000108.7V121 Y122 A123 W130 Y134 E140 T141 T144 L145 F166 F212V121-F132 HydrophobicContact CG1-CB 4.14Å; V121-F132 HydrophobicContact CG1-CD1 4.29Å; Y122-F132 CarbonylContact O-C 3.59Å; Y122-F132 VanDerWaalsContact O-CA 3.28Å; Y122-F132 WeakPolarHBondContact O-CA 3.45Å; A123-F132 HydrophobicContact CB-CD1 3.76Å; A123-F132 HydrophobicContact CB-CE1 3.74Å; W130-F132 HydrophobicContact CB-CE1 4.36Å; W130-F132 HydrophobicContact CB-CE2 3.7Å; W130-F132 HydrophobicContact CB-CZ 3.59Å; W130-F132 HydrophobicContact CG-CZ 4.21Å; F132-Y134 HydrophobicContact CB-CE2 3.99Å; F132-Y134 WeakPolarHBondContact O-CD2 3.25Å; F132-Y134 WeakPolarHBondContact O-CE2 3.39Å; F132-E140 CarbonylContact O-C 3.58Å; F132-E140 WeakPolarHBondContact O-CA 3.33Å; F132-T141 PolarHBondContact N-O 2.86Å; F132-T141 PolarHBondContact O-N 3.3Å; F132-T144 VanDerWaalsContact CD2-O 3.25Å; F132-T144 WeakPolarHBondContact CD2-O 2.79Å; F132-L145 HydrophobicContact CB-CD1 4.14Å; F132-L145 HydrophobicContact CD1-CD1 3.82Å; F132-L145 HydrophobicContact CD2-CB 4.03Å; F132-L145 HydrophobicContact CD2-CD1 4.48Å; F132-L145 HydrophobicContact CE1-CD1 4.35Å; F132-L145 HydrophobicContact CE2-CB 4.01Å; F132-L145 HydrophobicContact CG-CB 4.29Å; F132-L145 HydrophobicContact CG-CD1 3.88Å; F132-L145 HydrophobicContact CZ-CB 4.28Å; F132-F166 AromaticContact CE1-CE2 3.6Å; F132-F166 HydrophobicContact CE1-CE2 3.6Å; F132-F166 HydrophobicContact CE1-CZ 4.22Å; F132-F166 AromaticContact CZ-CE2 3.91Å; F132-F166 HydrophobicContact CZ-CE2 3.91Å; F132-F212 HydrophobicContact CE2-CB 4.18Å; F132-F212 AromaticContact CE2-CD2 3.91Å; F132-F212 HydrophobicContact CE2-CD2 3.91Å; F132-F212 HydrophobicContact CE2-CG 4.08Å; F132-F212 HydrophobicContact CZ-CB 4.49Å; F132-F212 HydrophobicContact CZ-CD1 4.33Å; F132-F212 AromaticContact CZ-CD2 3.58Å; F132-F212 HydrophobicContact CZ-CD2 3.58Å; F132-F212 HydrophobicContact CZ-CE1 4.48Å; F132-F212 AromaticContact CZ-CE2 3.75Å; F132-F212 HydrophobicContact CZ-CE2 3.75Å; F132-F212 AromaticContact CZ-CG 3.9Å; F132-F212 HydrophobicContact CZ-CG 3.9Å; F132-F212 HydrophobicContact CZ-CZ 4.23Å
133A96Very high94.6Very high0 Ų07.4 Ų7.40%04%0.035CC..EExtended strand (participates in β ladder)trans-100.5132.6176.800000110.9Y122 P135 T258 M260Y122-A133 PolarHBondContact N-O 3.37Å; Y122-A133 PolarHBondContact O-N 3.2Å; A133-P135 WeakPolarHBondContact O-CD 3.28Å; A133-T258 HydrophobicContact CB-CG2 4.21Å; A133-M260 HydrophobicContact CB-CE 3.76Å
134Y95.3Very high94.6Very high0 Ų08 Ų80%04%0.038CC..EExtended strand (participates in β ladder)trans-110.994.8-177.8-59.1-105.4000107.2M119 V121 F132 E137 H138 I139 T141 L145 T146 W225M119-Y134 HydrophobicContact CE-CD1 3.24Å; M119-Y134 HydrophobicContact CE-CE1 3.39Å; V121-Y134 HydrophobicContact CG2-CD1 3.85Å; V121-Y134 HydrophobicContact CG2-CE1 3.88Å; F132-Y134 HydrophobicContact CB-CE2 3.99Å; F132-Y134 WeakPolarHBondContact O-CD2 3.25Å; F132-Y134 WeakPolarHBondContact O-CE2 3.39Å; Y134-E137 PolarHBondContact O-N 3.3Å; Y134-H138 WeakPolarHBondContact O-CA 3.38Å; Y134-H138 PolarHBondContact O-N 3.49Å; Y134-I139 HydrophobicContact CD2-CD1 4.22Å; Y134-I139 HydrophobicContact CD2-CG1 3.7Å; Y134-I139 WeakPolarHBondContact CD2-O 3.34Å; Y134-I139 HydrophobicContact CG-CD1 4.21Å; Y134-I139 HydrophobicContact CG-CG1 3.78Å; Y134-I139 PolarHBondContact N-O 3.29Å; Y134-I139 PolarHBondContact O-N 2.95Å; Y134-T141 HydrophobicContact CE2-CG2 4.31Å; Y134-L145 WeakPolarHBondContact OH-CD1 3.28Å; Y134-T146 WeakPolarHBondContact CE1-O 3.24Å; Y134-T146 PolarHBondContact OH-N 3.48Å; Y134-T146 PolarHBondContact OH-O 3.2Å; Y134-W225 HydrophobicContact CE1-CH2 4.07Å; Y134-W225 HydrophobicContact CE1-CZ3 4.31Å; Y134-W225 AromaticContact CE2-CH2 3.94Å; Y134-W225 HydrophobicContact CE2-CH2 3.94Å; Y134-W225 AromaticContact CZ-CH2 3.65Å
135P92.4Very high94.6Very high0 Ų08 Ų80%04%0.038CC..THydrogen-bonded Turntrans-67-35.8-173.225.4-34000112.9V120 Y122 A133 E137 H138 M260 L326 Y332V120-P135 HydrophobicContact CB-CG 4.43Å; V120-P135 HydrophobicContact CG1-CG 4.44Å; V120-P135 WeakPolarHBondContact O-CD 3.36Å; Y122-P135 HydrophobicContact CD2-CG 4.15Å; Y122-P135 HydrophobicContact CE2-CG 4.12Å; A133-P135 WeakPolarHBondContact O-CD 3.28Å; P135-E137 VanDerWaalsContact C-N 3.34Å; P135-H138 PolarHBondContact O-CE1 2.8Å; P135-H138 PolarHBondContact O-ND1 2.73Å; P135-M260 HydrophobicContact CB-CE 3.66Å; P135-M260 HydrophobicContact CG-CE 4.29Å; P135-L326 HydrophobicContact CB-CD2 3.76Å; P135-Y332 HydrophobicContact CB-CD1 4.24Å; P135-Y332 HydrophobicContact CB-CD2 3.52Å; P135-Y332 HydrophobicContact CB-CE2 3.97Å; P135-Y332 HydrophobicContact CB-CG 3.67Å; P135-Y332 HydrophobicContact CG-CD1 4.16Å; P135-Y332 HydrophobicContact CG-CD2 3.98Å; P135-Y332 HydrophobicContact CG-CE1 4.14Å; P135-Y332 HydrophobicContact CG-CE2 3.97Å; P135-Y332 HydrophobicContact CG-CG 4.07Å
136D90.6Very high94.7Very high50 Ų508.2 Ų8.227%0.2674%0.04SC..THydrogen-bonded Turntrans-63.5-40.7177.4-77.1-55.4000111.6Y332D136-Y332 VanDerWaalsContact OD1-CD1 3.25Å; D136-Y332 WeakPolarHBondContact OD1-CD1 3.29Å
137E91.6Very high94.7Very high24 Ų248.2 Ų8.211%0.1124%0.04CC..THydrogen-bonded Turntrans-93.2-8.6-177.1-65.779.4-167.700113.9Y134 P135 I139 Y222 V226 K230Y134-E137 PolarHBondContact O-N 3.3Å; P135-E137 VanDerWaalsContact C-N 3.34Å; E137-I139 VanDerWaalsContact C-N 3.34Å; E137-I139 HydrophobicContact CB-CD1 4.09Å; E137-I139 HydrophobicContact CB-CG1 3.92Å; E137-I139 PolarHBondContact O-N 2.96Å; E137-Y222 PolarHBondContact OE1-OH 3.22Å; E137-V226 HydrophobicContact CB-CG1 3.92Å; E137-V226 HydrophobicContact CG-CG1 3.8Å; E137-V226 HydrophobicContact CG-CG2 3.93Å; E137-K230 WeakPolarHBondContact O-CE 3.08Å; E137-K230 PolarHBondContact O-NZ 3.01Å; E137-K230 VanDerWaalsContact O-NZ 3.16Å
138H93.1Very high94.9Very high30 Ų308.2 Ų8.214%0.1394%0.04CC..THydrogen-bonded Turntrans51.947.8-171.7-54.7-59.6000113.1Y134 P135 N256 G257 E330Y134-H138 WeakPolarHBondContact O-CA 3.38Å; Y134-H138 PolarHBondContact O-N 3.49Å; P135-H138 PolarHBondContact O-CE1 2.8Å; P135-H138 PolarHBondContact O-ND1 2.73Å; H138-N256 PolarHBondContact O-OD1 3.35Å; H138-G257 WeakPolarHBondContact O-CA 3.49Å; H138-G257 PolarHBondContact O-N 2.75Å; H138-E330 PolarHBondContact CE1-O 3.09Å; H138-E330 PolarHBondContact NE2-O 3.13Å
139I95.1Very high95Very high0 Ų010 Ų100%05%0.049CC..EExtended strand (participates in β ladder)trans-130.1154.1176.662.1177.7000110.6Y134 E137 W225 V226 V229 K230 G257Y134-I139 HydrophobicContact CD2-CD1 4.22Å; Y134-I139 HydrophobicContact CD2-CG1 3.7Å; Y134-I139 WeakPolarHBondContact CD2-O 3.34Å; Y134-I139 HydrophobicContact CG-CD1 4.21Å; Y134-I139 HydrophobicContact CG-CG1 3.78Å; Y134-I139 PolarHBondContact N-O 3.29Å; Y134-I139 PolarHBondContact O-N 2.95Å; E137-I139 VanDerWaalsContact C-N 3.34Å; E137-I139 HydrophobicContact CB-CD1 4.09Å; E137-I139 HydrophobicContact CB-CG1 3.92Å; E137-I139 PolarHBondContact O-N 2.96Å; I139-W225 HydrophobicContact CD1-CE3 4.34Å; I139-W225 HydrophobicContact CD1-CH2 3.4Å; I139-W225 HydrophobicContact CD1-CZ2 4.21Å; I139-W225 HydrophobicContact CD1-CZ3 3.47Å; I139-W225 VanDerWaalsContact CD1-CZ3 3.47Å; I139-V226 HydrophobicContact CD1-CG2 4.17Å; I139-V229 HydrophobicContact CB-CG1 3.74Å; I139-V229 HydrophobicContact CD1-CB 4.4Å; I139-V229 HydrophobicContact CD1-CG1 4.32Å; I139-V229 HydrophobicContact CG2-CB 4.19Å; I139-V229 HydrophobicContact CG2-CG1 3.7Å; I139-K230 HydrophobicContact CG2-CG 3.85Å; I139-G257 CarbonylContact C-O 3.45Å
140E96.1Very high94.7Very high1 Ų113.5 Ų13.51%0.0057%0.067CC..EExtended strand (participates in β ladder)trans-134.3138.1175.5-178.7166118.400111.1F132 L235 F255 G257 H259F132-E140 CarbonylContact O-C 3.58Å; F132-E140 WeakPolarHBondContact O-CA 3.33Å; E140-L235 HydrophobicContact CB-CD2 4.46Å; E140-L235 WeakPolarHBondContact OE1-CD2 3.48Å; E140-F255 PolarHBondContact N-O 3.26Å; E140-F255 PolarHBondContact O-N 3.28Å; E140-G257 VanDerWaalsContact CB-O 3.32Å; E140-G257 WeakPolarHBondContact CB-O 3.3Å; E140-G257 PolarHBondContact N-O 3.41Å; E140-H259 WeakPolarHBondContact OE2-CB 3.46Å; E140-H259 IonicContact OE2-CE1 2.62Å; E140-H259 IonicContact OE2-CG 2.58Å; E140-H259 PolarHBondContact OE2-N 3.47Å; E140-H259 IonicContact OE2-ND1 2.99Å; E140-H259 PolarHBondContact OE2-ND1 3.34Å
141T96.7Very high94.4Very high0 Ų015.6 Ų15.60%08%0.075CC..EExtended strand (participates in β ladder)trans-126.1147.9175.958.10000112.3F131 F132 Y134 T144 W225 L253 E254F131-T141 CarbonylContact C-O 3.54Å; F131-T141 WeakPolarHBondContact CA-O 3.41Å; F132-T141 PolarHBondContact N-O 2.86Å; F132-T141 PolarHBondContact O-N 3.3Å; Y134-T141 HydrophobicContact CE2-CG2 4.31Å; T141-T144 VanDerWaalsContact CB-O 3.24Å; T141-T144 WeakPolarHBondContact CB-O 3.08Å; T141-T144 HydrophobicContact CG2-CG2 4.18Å; T141-T144 PolarHBondContact OG1-O 3.26Å; T141-W225 HydrophobicContact CG2-CH2 4.29Å; T141-W225 HydrophobicContact CG2-CZ2 3.72Å; T141-L253 CarbonylContact C-O 3.46Å; T141-L253 VanDerWaalsContact CA-O 3.28Å; T141-L253 WeakPolarHBondContact CA-O 3.49Å; T141-E254 HydrophobicContact CG2-CB 4.18Å; T141-E254 HydrophobicContact CG2-CG 3.79Å
142V96.1Very high94.1Very high0 Ų016 Ų160%08%0.078CC..EExtended strand (participates in β ladder)trans-112.4128.7177.4-1730000108.4K129 W130 F131 T144 A252 L253 F255K129-V142 HydrophobicContact CB-CG1 4.28Å; K129-V142 HydrophobicContact CD-CG1 4.17Å; W130-V142 CarbonylContact O-C 3.57Å; W130-V142 WeakPolarHBondContact O-CA 3.4Å; F131-V142 HydrophobicContact CD1-CG1 4.46Å; F131-V142 HydrophobicContact CD1-CG2 3.73Å; F131-V142 HydrophobicContact CE1-CG1 4.25Å; F131-V142 HydrophobicContact CE1-CG2 3.82Å; V142-T144 PolarHBondContact O-N 3.23Å; V142-A252 VanDerWaalsContact O-CA 3.27Å; V142-A252 WeakPolarHBondContact O-CA 3.27Å; V142-L253 HydrophobicContact CB-CB 4.02Å; V142-L253 HydrophobicContact CG2-CB 4.1Å; V142-L253 PolarHBondContact N-O 3.04Å; V142-L253 PolarHBondContact O-N 3.22Å; V142-F255 HydrophobicContact CG2-CD2 4.49Å; V142-F255 HydrophobicContact CG2-CE2 4Å
143N95.1Very high93.9Very high10 Ų1016 Ų165%0.0538%0.078CC..SBendtrans54.313.7179-61.6-38.4000116.4W130 F212 K213 K251W130-N143 PolarHBondContact N-OD1 3.1Å; W130-N143 VanDerWaalsContact N-OD1 3.11Å; W130-N143 PolarHBondContact O-N 2.83Å; N143-F212 HydrophobicContact CB-CB 4.42Å; N143-F212 VanDerWaalsContact O-CA 3.25Å; N143-F212 WeakPolarHBondContact O-CA 3.38Å; N143-F212 VanDerWaalsContact O-CB 3.29Å; N143-F212 WeakPolarHBondContact O-CB 3.42Å; N143-K213 PolarHBondContact O-N 3.32Å; N143-K213 VanDerWaalsContact O-N 3.12Å; N143-K251 PolarHBondContact ND2-O 2.88Å
144T96.4Very high93.7Very high12 Ų1216.7 Ų16.77%0.0748%0.082CC..EExtended strand (participates in β ladder)trans-138.7137.2171.8-171.40000108.7F132 T141 V142 K213 A252 E254F132-T144 VanDerWaalsContact CD2-O 3.25Å; F132-T144 WeakPolarHBondContact CD2-O 2.79Å; T141-T144 VanDerWaalsContact CB-O 3.24Å; T141-T144 WeakPolarHBondContact CB-O 3.08Å; T141-T144 HydrophobicContact CG2-CG2 4.18Å; T141-T144 PolarHBondContact OG1-O 3.26Å; V142-T144 PolarHBondContact O-N 3.23Å; T144-K213 CarbonylContact C-O 3.59Å; T144-K213 WeakPolarHBondContact CA-O 3.37Å; T144-A252 HydrophobicContact CG2-CB 4.19Å; T144-E254 HydrophobicContact CG2-CG 4.29Å
145L96.7Very high93.6Very high0 Ų016.7 Ų16.70%08%0.082CC..EExtended strand (participates in β ladder)trans-128.1128.1180174.273.7000106.7V121 F132 Y134 I147 F155 F166 I168 K213 V214 N215V121-L145 HydrophobicContact CG1-CD1 3.99Å; F132-L145 HydrophobicContact CB-CD1 4.14Å; F132-L145 HydrophobicContact CD1-CD1 3.82Å; F132-L145 HydrophobicContact CD2-CB 4.03Å; F132-L145 HydrophobicContact CD2-CD1 4.48Å; F132-L145 HydrophobicContact CE1-CD1 4.35Å; F132-L145 HydrophobicContact CE2-CB 4.01Å; F132-L145 HydrophobicContact CG-CB 4.29Å; F132-L145 HydrophobicContact CG-CD1 3.88Å; F132-L145 HydrophobicContact CZ-CB 4.28Å; Y134-L145 WeakPolarHBondContact OH-CD1 3.28Å; L145-I147 HydrophobicContact CD1-CG2 4.14Å; L145-I147 HydrophobicContact CD2-CG2 4.35Å; L145-I147 HydrophobicContact CG-CG2 4.03Å; L145-F155 HydrophobicContact CD1-CE1 3.9Å; L145-F155 HydrophobicContact CD2-CE1 3.59Å; L145-F155 HydrophobicContact CD2-CZ 3.71Å; L145-F155 HydrophobicContact CG-CE1 4.42Å; L145-F166 HydrophobicContact CD2-CZ 4.48Å; L145-I168 HydrophobicContact CD2-CD1 4.22Å; L145-K213 PolarHBondContact N-O 3.04Å; L145-V214 HydrophobicContact CB-CG1 4.49Å; L145-V214 HydrophobicContact CB-CG2 4.27Å; L145-V214 HydrophobicContact CD2-CB 4.44Å; L145-V214 HydrophobicContact CD2-CG1 3.81Å; L145-V214 HydrophobicContact CD2-CG2 3.97Å; L145-V214 HydrophobicContact CG-CG1 4.26Å; L145-V214 CarbonylContact O-C 3.54Å; L145-V214 VanDerWaalsContact O-CA 3.25Å; L145-V214 WeakPolarHBondContact O-CA 3.35Å; L145-N215 PolarHBondContact O-N 3.2Å
146T96.7Very high93.7Very high5 Ų517.5 Ų17.53%0.0319%0.086CC..EExtended strand (participates in β ladder)trans-120.2125.9176.3-58.20000107.8Y134 N215 V217 Y222 W225Y134-T146 WeakPolarHBondContact CE1-O 3.24Å; Y134-T146 PolarHBondContact OH-N 3.48Å; Y134-T146 PolarHBondContact OH-O 3.2Å; T146-N215 CarbonylContact C-O 3.58Å; T146-N215 WeakPolarHBondContact CA-O 3.33Å; T146-N215 HydrophobicContact CG2-CB 4.34Å; T146-V217 HydrophobicContact CG2-CG1 4.39Å; T146-V217 HydrophobicContact CG2-CG2 3.81Å; T146-Y222 HydrophobicContact CG2-CD2 4.16Å; T146-Y222 WeakPolarHBondContact O-CE2 3.04Å; T146-W225 HydrophobicContact CG2-CD2 3.83Å; T146-W225 HydrophobicContact CG2-CE3 3.87Å; T146-W225 HydrophobicContact CG2-CG 4.21Å; T146-W225 HydrophobicContact CG2-CZ3 4.36Å
147I95.1Very high93.9Very high0 Ų015.1 Ų15.10%07%0.073CC..EExtended strand (participates in β ladder)trans-132.8145.5-176.958.1173.5000110.5L145 V153 L171 A189 V214 N215 A216 V217L145-I147 HydrophobicContact CD1-CG2 4.14Å; L145-I147 HydrophobicContact CD2-CG2 4.35Å; L145-I147 HydrophobicContact CG-CG2 4.03Å; I147-V153 HydrophobicContact CB-CG2 4.06Å; I147-V153 HydrophobicContact CG2-CG1 4.41Å; I147-V153 HydrophobicContact CG2-CG2 3.9Å; I147-L171 HydrophobicContact CD1-CD1 3.96Å; I147-A189 HydrophobicContact CD1-CB 4.05Å; I147-V214 HydrophobicContact CD1-CG1 4.1Å; I147-V214 HydrophobicContact CG1-CG1 4.28Å; I147-N215 PolarHBondContact N-O 2.68Å; I147-A216 HydrophobicContact CG1-CB 4.39Å; I147-A216 WeakPolarHBondContact O-CA 3.38Å; I147-V217 PolarHBondContact O-N 3.12Å
148P94.6Very high94.1Very high0 Ų014.1 Ų14.10%07%0.068CC..EExtended strand (participates in β ladder)trans-72.6140.8172.627.1-29.1000110.8M119 R151 V217 Y222M119-P148 VanDerWaalsContact SD-CD 3.52Å; M119-P148 HydrophobicContact SD-CG 4.07Å; P148-R151 HydrophobicContact CB-CB 4.43Å; P148-R151 HydrophobicContact CG-CB 3.94Å; P148-R151 HydrophobicContact CG-CG 4.38Å; P148-V217 WeakPolarHBondContact CA-O 3.46Å; P148-Y222 HydrophobicContact CB-CG 4.28Å; P148-Y222 HydrophobicContact CG-CD2 4.46Å; P148-Y222 HydrophobicContact CG-CG 4.4Å
149K92.4Very high94.1Very high77 Ų7712.7 Ų12.734%0.3356%0.062SC..THydrogen-bonded Turntrans-63.7147.2172.5-169.7-145.7173.5-143.20110.7R151 A189 S190 T192 V217K149-R151 PolarHBondContact O-N 2.95Å; K149-A189 WeakPolarHBondContact CA-O 3.34Å; K149-A189 WeakPolarHBondContact CG-O 3.46Å; K149-S190 VanDerWaalsContact CE-C 3.44Å; K149-S190 WeakPolarHBondContact CE-O 3.25Å; K149-T192 HydrophobicContact CB-CG2 4.17Å; K149-T192 HydrophobicContact CD-CG2 4.08Å; K149-T192 HydrophobicContact CG-CG2 4.3Å; K149-V217 WeakPolarHBondContact CB-O 3.03Å; K149-V217 PolarHBondContact N-O 3.1Å
150D89.4Confident94.1Very high74 Ų7412.9 Ų12.940%0.3966%0.062SC..THydrogen-bonded Turntrans58.227.5175.4-50.5-38.2000113.5A189D150-A189 PolarHBondContact N-O 3.1Å
151R89Confident93.8Very high44 Ų4414.3 Ų14.317%0.1667%0.07CC..SBendtrans-125.7125.8172.7-170.8177.6-175.7-169.1-5.4109.4D117 P148 K149 V153D117-R151 PolarHBondContact O-NE 3.46Å; D117-R151 PolarHBondContact O-NH2 2.88Å; P148-R151 HydrophobicContact CB-CB 4.43Å; P148-R151 HydrophobicContact CG-CB 3.94Å; P148-R151 HydrophobicContact CG-CG 4.38Å; K149-R151 PolarHBondContact O-N 2.95Å; R151-V153 PolarHBondContact O-N 3.08Å
152P90.7Very high93.5Very high9 Ų917.2 Ų17.26%0.0589%0.088CC..  trans-64132.9173.4-22.933.8000111.6P112 M119 T186P112-P152 HydrophobicContact CB-CB 3.52Å; P112-P152 HydrophobicContact CB-CG 3.77Å; P112-P152 HydrophobicContact CG-CB 3.98Å; M119-P152 PolarHBondContact N-O 3.34Å; P152-T186 HydrophobicContact CB-CG2 4.14Å
153V92.2Very high93.4Very high0 Ų020.8 Ų20.80%011%0.106CC..EExtended strand (participates in β ladder)trans-114.6119.8176.3-173.30000108.8M119 V121 I147 R151 F155 T186 L187M119-V153 HydrophobicContact CB-CG2 4.27Å; M119-V153 HydrophobicContact CG-CG1 4.48Å; M119-V153 CarbonylContact O-C 3.51Å; M119-V153 VanDerWaalsContact O-CA 3.31Å; M119-V153 WeakPolarHBondContact O-CA 3.27Å; M119-V153 HydrophobicContact SD-CG2 4.15Å; V121-V153 HydrophobicContact CB-CG1 4.14Å; V121-V153 HydrophobicContact CG2-CG1 3.65Å; I147-V153 HydrophobicContact CB-CG2 4.06Å; I147-V153 HydrophobicContact CG2-CG1 4.41Å; I147-V153 HydrophobicContact CG2-CG2 3.9Å; R151-V153 PolarHBondContact O-N 3.08Å; V153-F155 HydrophobicContact CB-CE2 3.81Å; V153-F155 HydrophobicContact CB-CZ 4.01Å; V153-F155 HydrophobicContact CG1-CD1 4.46Å; V153-F155 HydrophobicContact CG1-CD2 4.25Å; V153-F155 HydrophobicContact CG1-CE1 3.96Å; V153-F155 HydrophobicContact CG1-CE2 3.69Å; V153-F155 HydrophobicContact CG1-CZ 3.54Å; V153-T186 WeakPolarHBondContact O-CA 3.42Å; V153-L187 PolarHBondContact N-O 3.29Å; V153-L187 PolarHBondContact O-N 3.43Å
154V92Very high93.4Very high15 Ų1520.3 Ų20.39%0.09110%0.103CC..EExtended strand (participates in β ladder)trans-91.4104.2174.5-178.70000108.1P112 P118 M119 V121 T186P112-V154 HydrophobicContact CG-CG2 4.26Å; P118-V154 HydrophobicContact CB-CG2 3.94Å; P118-V154 HydrophobicContact CG-CG2 4.47Å; M119-V154 PolarHBondContact O-N 2.97Å; V121-V154 PolarHBondContact N-O 2.58Å; V154-T186 HydrophobicContact CG2-CG2 4.31Å
155F94.3Very high93.4Very high0 Ų019.8 Ų19.80%010%0.1CC..EExtended strand (participates in β ladder)trans-77.9125.7172.7-64.4-81.5000110.3V121 A123 L145 V153 L157 F166 N184 W185 L187V121-F155 HydrophobicContact CB-CD1 4.08Å; V121-F155 HydrophobicContact CB-CE1 4.12Å; V121-F155 HydrophobicContact CG1-CD1 4.24Å; V121-F155 HydrophobicContact CG1-CE1 4.19Å; V121-F155 CarbonylContact O-C 3.59Å; V121-F155 VanDerWaalsContact O-CA 3.27Å; V121-F155 WeakPolarHBondContact O-CA 3.29Å; A123-F155 HydrophobicContact CB-CD1 4.28Å; L145-F155 HydrophobicContact CD1-CE1 3.9Å; L145-F155 HydrophobicContact CD2-CE1 3.59Å; L145-F155 HydrophobicContact CD2-CZ 3.71Å; L145-F155 HydrophobicContact CG-CE1 4.42Å; V153-F155 HydrophobicContact CB-CE2 3.81Å; V153-F155 HydrophobicContact CB-CZ 4.01Å; V153-F155 HydrophobicContact CG1-CD1 4.46Å; V153-F155 HydrophobicContact CG1-CD2 4.25Å; V153-F155 HydrophobicContact CG1-CE1 3.96Å; V153-F155 HydrophobicContact CG1-CE2 3.69Å; V153-F155 HydrophobicContact CG1-CZ 3.54Å; F155-L157 HydrophobicContact CB-CD2 3.98Å; F155-L157 HydrophobicContact CB-CG 4.39Å; F155-F166 HydrophobicContact CD1-CE1 4.22Å; F155-F166 HydrophobicContact CD1-CZ 4.07Å; F155-F166 HydrophobicContact CD2-CE1 4.29Å; F155-F166 HydrophobicContact CE1-CE1 4.48Å; F155-F166 HydrophobicContact CE1-CZ 4.09Å; F155-F166 HydrophobicContact CG-CE1 4.12Å; F155-F166 HydrophobicContact CG-CZ 4.43Å; F155-F166 HydrophobicContact CZ-CZ 4.5Å; F155-N184 CarbonylContact O-C 3.59Å; F155-N184 WeakPolarHBondContact O-CA 3.37Å; F155-W185 HydrophobicContact CB-CB 4.35Å; F155-W185 WeakPolarHBondContact CB-O 3.38Å; F155-W185 WeakPolarHBondContact CD2-O 3.35Å; F155-W185 PolarHBondContact N-O 2.97Å; F155-W185 PolarHBondContact O-N 3.02Å; F155-L187 HydrophobicContact CD2-CB 4.37Å; F155-L187 HydrophobicContact CD2-CD1 4.3Å; F155-L187 HydrophobicContact CD2-CG 4.44Å; F155-L187 HydrophobicContact CE2-CB 3.97Å; F155-L187 HydrophobicContact CE2-CD1 4.16Å; F155-L187 HydrophobicContact CE2-CG 4.4Å
156K93.6Very high93.4Very high16 Ų1619.8 Ų19.87%0.0710%0.1CC..EExtended strand (participates in β ladder)trans-96.597.7169.1-56.2-66.8172.81650107.5V120 V121 Y122 A123 T182 N184 E340V120-K156 HydrophobicContact CG1-CG 3.85Å; V121-K156 PolarHBondContact O-N 3.4Å; Y122-K156 HydrophobicContact CD1-CB 3.6Å; Y122-K156 HydrophobicContact CD1-CG 4.19Å; Y122-K156 HydrophobicContact CD2-CB 4.31Å; Y122-K156 HydrophobicContact CD2-CG 4.23Å; Y122-K156 HydrophobicContact CE1-CB 3.81Å; Y122-K156 HydrophobicContact CE1-CG 4.02Å; Y122-K156 HydrophobicContact CE2-CB 4.48Å; Y122-K156 HydrophobicContact CE2-CG 4.05Å; Y122-K156 HydrophobicContact CG-CB 3.88Å; Y122-K156 HydrophobicContact CG-CG 4.3Å; A123-K156 PolarHBondContact N-O 2.84Å; K156-T182 HydrophobicContact CB-CG2 3.78Å; K156-T182 HydrophobicContact CD-CG2 4.1Å; K156-T182 HydrophobicContact CG-CG2 4.48Å; K156-N184 WeakPolarHBondContact CD-OD1 3.35Å; K156-N184 WeakPolarHBondContact CE-OD1 3.16Å; K156-N184 PolarHBondContact NZ-OD1 2.77Å; K156-E340 WeakPolarHBondContact CE-OE1 3.42Å; K156-E340 IonicContact NZ-OE1 2.66Å; K156-E340 PolarHBondContact NZ-OE1 3.47Å
157L95.1Very high93.3Very high0 Ų022.4 Ų22.40%011%0.109CC..EExtended strand (participates in β ladder)trans-85.6124.7-174.5-56.1176.5000110.1A123 F155 F166 K175 A177 T182 M183 W185A123-L157 HydrophobicContact CB-CD2 3.81Å; A123-L157 WeakPolarHBondContact O-CA 3.35Å; F155-L157 HydrophobicContact CB-CD2 3.98Å; F155-L157 HydrophobicContact CB-CG 4.39Å; L157-F166 HydrophobicContact CD1-CB 4.08Å; L157-F166 HydrophobicContact CD2-CB 3.63Å; L157-F166 HydrophobicContact CD2-CD1 3.81Å; L157-F166 HydrophobicContact CD2-CD2 4.28Å; L157-F166 HydrophobicContact CD2-CE1 4.49Å; L157-F166 HydrophobicContact CD2-CG 3.65Å; L157-K175 HydrophobicContact CD1-CB 3.59Å; L157-K175 HydrophobicContact CD1-CD 4.37Å; L157-K175 HydrophobicContact CD1-CG 3.96Å; L157-A177 HydrophobicContact CB-CB 4.08Å; L157-T182 WeakPolarHBondContact O-CA 3.39Å; L157-M183 HydrophobicContact CB-CB 4.24Å; L157-M183 PolarHBondContact N-O 3.2Å; L157-M183 PolarHBondContact O-N 2.98Å; L157-W185 HydrophobicContact CD1-CB 3.93Å; L157-W185 HydrophobicContact CG-CB 4.43Å
158Q95Very high93.3Very high3 Ų322.4 Ų22.41%0.01411%0.109CC..EExtended strand (participates in β ladder)trans-139154.3177.4-61.4174.9-37.500109.7A123 V124 S125 T182 D264 P265A123-Q158 PolarHBondContact O-N 3.17Å; V124-Q158 CarbonylContact C-O 3.5Å; V124-Q158 VanDerWaalsContact CA-O 3.3Å; V124-Q158 WeakPolarHBondContact CA-O 3.49Å; V124-Q158 HydrophobicContact CG2-CB 4.29Å; S125-Q158 PolarHBondContact N-O 3.44Å; Q158-T182 HydrophobicContact CG-CG2 4.07Å; Q158-T182 PolarHBondContact NE2-OG1 3.02Å; Q158-D264 PolarHBondContact NE2-OD1 3.27Å; Q158-P265 HydrophobicContact CB-CB 4.16Å; Q158-P265 VanDerWaalsContact OE1-CG 3.28Å
159A94.8Very high93.2Very high0 Ų022.6 Ų22.60%011%0.11CC..EExtended strand (participates in β ladder)trans-122.8145.5169.100000110S125 T162 A177 M178 T179S125-A159 WeakPolarHBondContact OG-CA 3.48Å; S125-A159 VanDerWaalsContact OG-CB 3.26Å; S125-A159 WeakPolarHBondContact OG-CB 3.13Å; A159-T162 WeakPolarHBondContact CB-O 3.3Å; A159-A177 HydrophobicContact CB-CB 4.39Å; A159-M178 PolarHBondContact N-O 2.81Å; A159-T179 WeakPolarHBondContact O-CA 3.4Å
160M93.3Very high93.1Very high4 Ų420.1 Ų20.12%0.0210%0.1CC..SBendtrans-99.4-30.4172.7-72.1-174.7163.800112.7V124 S125 A126 F240 L244 V263 P265 I272V124-M160 HydrophobicContact CG1-CE 4.3Å; V124-M160 HydrophobicContact CG1-CG 3.78Å; V124-M160 HydrophobicContact CG1-SD 4.29Å; S125-M160 PolarHBondContact O-N 2.83Å; A126-M160 HydrophobicContact CB-CB 3.96Å; A126-M160 HydrophobicContact CB-CG 4.45Å; A126-M160 HydrophobicContact CB-SD 4.23Å; M160-F240 HydrophobicContact CE-CE1 3.8Å; M160-F240 HydrophobicContact CE-CZ 3.48Å; M160-F240 VanDerWaalsContact CE-CZ 3.48Å; M160-F240 HydrophobicContact SD-CE1 4.46Å; M160-F240 HydrophobicContact SD-CZ 4.09Å; M160-L244 HydrophobicContact SD-CD1 3.78Å; M160-L244 HydrophobicContact SD-CD2 3.45Å; M160-L244 WeakPolarHBondContact SD-CD2 3.46Å; M160-L244 HydrophobicContact SD-CG 4.28Å; M160-V263 HydrophobicContact CE-CG1 3.57Å; M160-P265 HydrophobicContact CE-CB 4.07Å; M160-P265 HydrophobicContact CE-CG 3.55Å; M160-P265 HydrophobicContact CG-CB 3.87Å; M160-P265 HydrophobicContact CG-CG 4.28Å; M160-I272 HydrophobicContact CB-CB 4.49Å; M160-I272 HydrophobicContact CB-CD1 4.48Å; M160-I272 WeakPolarHBondContact O-CB 3.45Å; M160-I272 VanDerWaalsContact O-CG2 3.29Å; M160-I272 WeakPolarHBondContact O-CG2 3.48Å
161D90.4Very high93.2Very high31 Ų3116.6 Ų16.617%0.1668%0.081CC..SBendtrans-105.6-89-177.254.60.3000110.8G127 T179 I272G127-D161 PolarHBondContact N-OD2 3.47Å; D161-T179 PolarHBondContact O-OG1 2.7Å; D161-T179 VanDerWaalsContact O-OG1 3.07Å; D161-I272 HydrophobicContact CB-CG1 4.16Å
162T90.9Very high93.2Very high61 Ų6114.5 Ų14.537%0.3747%0.074SC..SBendtrans-115.6157.5-17150.30000109.3A159 T164 N203A159-T162 WeakPolarHBondContact CB-O 3.3Å; T162-T164 PolarHBondContact O-N 3.11Å; T162-N203 WeakPolarHBondContact OG1-CB 3.49Å
163M93.9Very high93Very high76 Ų7614.6 Ų14.637%0.3748%0.076SC..  trans-62.5127.6177.6-175.3176.7174.900110.8Y176 M178 N201M163-Y176 HydrophobicContact CE-CD1 3.91Å; M163-Y176 HydrophobicContact CE-CD2 3.09Å; M163-Y176 HydrophobicContact CE-CE1 4.37Å; M163-Y176 HydrophobicContact CE-CE2 3.6Å; M163-Y176 HydrophobicContact CE-CG 3.27Å; M163-M178 HydrophobicContact CE-CG 4.19Å; M163-M178 HydrophobicContact CE-SD 4.38Å; M163-M178 HydrophobicContact CG-CG 4.16Å; M163-M178 HydrophobicContact SD-CG 4.35Å; M163-N201 PolarHBondContact O-ND2 3.43Å
164T95.7Very high93Very high0 Ų019.1 Ų19.10%010%0.097CC..EExtended strand (participates in β ladder)trans-124.9172.1176.867.60000110.9S125 W130 T162 Y176 A177 N203S125-T164 WeakPolarHBondContact CB-OG1 3.29Å; S125-T164 WeakPolarHBondContact OG-CG2 3.36Å; S125-T164 PolarHBondContact OG-OG1 2.91Å; W130-T164 WeakPolarHBondContact CH2-OG1 3.44Å; W130-T164 WeakPolarHBondContact CZ2-OG1 3.44Å; T162-T164 PolarHBondContact O-N 3.11Å; T164-Y176 CarbonylContact O-C 3.56Å; T164-Y176 VanDerWaalsContact O-CA 3.3Å; T164-Y176 WeakPolarHBondContact O-CA 3.33Å; T164-A177 PolarHBondContact N-O 2.84Å; T164-A177 PolarHBondContact O-N 3.11Å; T164-N203 HydrophobicContact CG2-CB 4.22Å; T164-N203 WeakPolarHBondContact CG2-ND2 3.26Å
165S96.3Very high93.2Very high0 Ų020 Ų200%010%0.1CC..EExtended strand (participates in β ladder)trans-129112178-177.20000109.8W167 N199 S200S165-W167 PolarHBondContact O-N 2.76Å; S165-N199 PolarHBondContact N-OD1 3.26Å; S165-N199 WeakPolarHBondContact O-CA 3.48Å; S165-N199 PolarHBondContact O-OD1 3.34Å; S165-S200 WeakPolarHBondContact CB-OG 3.49Å; S165-S200 PolarHBondContact O-N 2.85Å; S165-S200 VanDerWaalsContact O-N 3.11Å; S165-S200 PolarHBondContact OG-OG 2.9Å
166F96.1Very high93.2Very high0 Ų025.1 Ų25.10%012%0.12CC..EExtended strand (participates in β ladder)trans-75.5115178.6-179.2-103.9000109.7W130 F132 L145 F155 L157 I168 Q174 K175 L187 F212W130-F166 HydrophobicContact CD2-CD2 4.3Å; W130-F166 HydrophobicContact CE3-CD2 4.11Å; W130-F166 HydrophobicContact CH2-CB 3.7Å; W130-F166 HydrophobicContact CH2-CD2 4.04Å; W130-F166 HydrophobicContact CH2-CG 4.38Å; W130-F166 HydrophobicContact CZ2-CB 4.15Å; W130-F166 HydrophobicContact CZ2-CD2 4.21Å; W130-F166 HydrophobicContact CZ3-CB 4.24Å; W130-F166 AromaticContact CZ3-CD2 3.98Å; W130-F166 HydrophobicContact CZ3-CD2 3.98Å; F132-F166 AromaticContact CE1-CE2 3.6Å; F132-F166 HydrophobicContact CE1-CE2 3.6Å; F132-F166 HydrophobicContact CE1-CZ 4.22Å; F132-F166 AromaticContact CZ-CE2 3.91Å; F132-F166 HydrophobicContact CZ-CE2 3.91Å; L145-F166 HydrophobicContact CD2-CZ 4.48Å; F155-F166 HydrophobicContact CD1-CE1 4.22Å; F155-F166 HydrophobicContact CD1-CZ 4.07Å; F155-F166 HydrophobicContact CD2-CE1 4.29Å; F155-F166 HydrophobicContact CE1-CE1 4.48Å; F155-F166 HydrophobicContact CE1-CZ 4.09Å; F155-F166 HydrophobicContact CG-CE1 4.12Å; F155-F166 HydrophobicContact CG-CZ 4.43Å; F155-F166 HydrophobicContact CZ-CZ 4.5Å; L157-F166 HydrophobicContact CD1-CB 4.08Å; L157-F166 HydrophobicContact CD2-CB 3.63Å; L157-F166 HydrophobicContact CD2-CD1 3.81Å; L157-F166 HydrophobicContact CD2-CD2 4.28Å; L157-F166 HydrophobicContact CD2-CE1 4.49Å; L157-F166 HydrophobicContact CD2-CG 3.65Å; F166-I168 HydrophobicContact CE1-CD1 3.62Å; F166-I168 HydrophobicContact CE1-CG1 4.05Å; F166-I168 HydrophobicContact CE2-CD1 4.36Å; F166-I168 HydrophobicContact CZ-CD1 3.41Å; F166-I168 VanDerWaalsContact CZ-CD1 3.41Å; F166-I168 HydrophobicContact CZ-CG1 3.93Å; F166-Q174 VanDerWaalsContact O-CA 3.22Å; F166-Q174 WeakPolarHBondContact O-CA 3.33Å; F166-K175 PolarHBondContact N-O 3.36Å; F166-K175 PolarHBondContact O-N 2.9Å; F166-K175 VanDerWaalsContact O-N 3.15Å; F166-L187 HydrophobicContact CE1-CD1 4.24Å; F166-F212 HydrophobicContact CD2-CE1 4.07Å; F166-F212 HydrophobicContact CD2-CE2 4.47Å; F166-F212 AromaticContact CD2-CZ 3.62Å; F166-F212 HydrophobicContact CD2-CZ 3.62Å; F166-F212 AromaticContact CE2-CE1 3.93Å; F166-F212 HydrophobicContact CE2-CE1 3.93Å; F166-F212 AromaticContact CE2-CE2 3.57Å; F166-F212 HydrophobicContact CE2-CE2 3.57Å; F166-F212 AromaticContact CE2-CZ 3.11Å; F166-F212 HydrophobicContact CE2-CZ 3.11Å; F166-F212 HydrophobicContact CZ-CE2 4.02Å; F166-F212 AromaticContact CZ-CZ 3.83Å; F166-F212 HydrophobicContact CZ-CZ 3.83Å
167W95.3Very high93.3Very high60 Ų6024.4 Ų24.423%0.22712%0.117CC..EExtended strand (participates in β ladder)trans-132.8127.2-179.3-171.231000112.7I25 S165 P169 Q174 G197 R198I25-W167 HydrophobicContact CD1-CH2 4.31Å; I25-W167 HydrophobicContact CD1-CZ2 4.03Å; I25-W167 HydrophobicContact CG1-CZ2 4.2Å; S165-W167 PolarHBondContact O-N 2.76Å; W167-P169 HydrophobicContact CD2-CG 3.79Å; W167-P169 HydrophobicContact CE3-CG 4.1Å; W167-P169 HydrophobicContact CG-CG 4.36Å; W167-P169 HydrophobicContact CH2-CG 4.08Å; W167-P169 HydrophobicContact CZ2-CB 3.87Å; W167-P169 HydrophobicContact CZ2-CG 3.75Å; W167-P169 HydrophobicContact CZ3-CG 4.24Å; W167-Q174 HydrophobicContact CB-CB 3.75Å; W167-Q174 HydrophobicContact CG-CB 3.83Å; W167-G197 WeakPolarHBondContact O-CA 3.38Å; W167-R198 HydrophobicContact CE3-CG 3.88Å; W167-R198 PolarHBondContact N-O 2.75Å; W167-R198 VanDerWaalsContact N-O 3.14Å; W167-R198 PolarHBondContact O-N 2.74Å
168I94.6Very high93.2Very high0 Ų026.7 Ų26.70%013%0.128CC..  trans-122.690.9169.7-53.4167.1000107.3L145 F166 Q170 L171 G172 L187 F195 F212 V214L145-I168 HydrophobicContact CD2-CD1 4.22Å; F166-I168 HydrophobicContact CE1-CD1 3.62Å; F166-I168 HydrophobicContact CE1-CG1 4.05Å; F166-I168 HydrophobicContact CE2-CD1 4.36Å; F166-I168 HydrophobicContact CZ-CD1 3.41Å; F166-I168 VanDerWaalsContact CZ-CD1 3.41Å; F166-I168 HydrophobicContact CZ-CG1 3.93Å; I168-Q170 PolarHBondContact O-N 2.83Å; I168-L171 HydrophobicContact CB-CB 4.22Å; I168-L171 HydrophobicContact CB-CD1 4.48Å; I168-L171 HydrophobicContact CB-CG 4.45Å; I168-L171 HydrophobicContact CD1-CD1 4.1Å; I168-L171 HydrophobicContact CG2-CB 3.95Å; I168-L171 HydrophobicContact CG2-CD1 3.87Å; I168-L171 HydrophobicContact CG2-CG 3.69Å; I168-L171 PolarHBondContact O-N 2.81Å; I168-G172 PolarHBondContact O-N 3.12Å; I168-G172 VanDerWaalsContact O-N 3.13Å; I168-L187 HydrophobicContact CD1-CD1 4.18Å; I168-F195 HydrophobicContact CG2-CB 4.3Å; I168-F212 HydrophobicContact CD1-CE2 4.1Å; I168-F212 HydrophobicContact CD1-CZ 4.43Å; I168-F212 HydrophobicContact CG1-CE2 3.87Å; I168-F212 HydrophobicContact CG1-CZ 3.87Å; I168-V214 HydrophobicContact CD1-CG1 4.5Å; I168-V214 HydrophobicContact CD1-CG2 3.78Å; I168-V214 HydrophobicContact CG1-CG2 4.05Å; I168-V214 HydrophobicContact CG2-CG2 4.21Å
169P91.6Very high93.1Very high4 Ų429 Ų293%0.02614%0.142CC..THydrogen-bonded Turntrans-51.4-33-170.4-27.130.9000115.4E24 I25 W167 R196E24-P169 HydrophobicContact CB-CB 4.11Å; I25-P169 HydrophobicContact CG1-CB 4.41Å; W167-P169 HydrophobicContact CD2-CG 3.79Å; W167-P169 HydrophobicContact CE3-CG 4.1Å; W167-P169 HydrophobicContact CG-CG 4.36Å; W167-P169 HydrophobicContact CH2-CG 4.08Å; W167-P169 HydrophobicContact CZ2-CB 3.87Å; W167-P169 HydrophobicContact CZ2-CG 3.75Å; W167-P169 HydrophobicContact CZ3-CG 4.24Å; P169-R196 WeakPolarHBondContact CD-O 3.21Å
170Q90.9Very high92.8Very high25 Ų2529.2 Ų29.212%0.11715%0.145CC..THydrogen-bonded Turntrans-84.5-19.2-177-63.7-178-73.400113.8E24 K29 G30 A33 I168 F195E24-Q170 HydrophobicContact CB-CG 4.13Å; K29-Q170 HydrophobicContact CB-CB 4.42Å; K29-Q170 HydrophobicContact CG-CB 4.24Å; K29-Q170 PolarHBondContact N-O 3.37Å; G30-Q170 PolarHBondContact N-O 3.32Å; A33-Q170 WeakPolarHBondContact CB-O 3.34Å; I168-Q170 PolarHBondContact O-N 2.83Å; Q170-F195 HydrophobicContact CB-CB 4.43Å; Q170-F195 HydrophobicContact CB-CD1 4.22Å; Q170-F195 HydrophobicContact CB-CG 4.39Å; Q170-F195 VanDerWaalsContact OE1-CD1 3.27Å
171L91.1Very high92.5Very high0 Ų031.9 Ų31.90%016%0.158CC..THydrogen-bonded Turntrans-97.9-34.2-179.5-64.7-173000112.4K29 A33 I147 I168 L187 A189 F195 V214K29-L171 HydrophobicContact CB-CD2 4.48Å; A33-L171 VanDerWaalsContact CB-C 3.49Å; A33-L171 WeakPolarHBondContact CB-O 3.44Å; A33-L171 PolarHBondContact N-O 2.95Å; A33-L171 VanDerWaalsContact N-O 3.09Å; I147-L171 HydrophobicContact CD1-CD1 3.96Å; I168-L171 HydrophobicContact CB-CB 4.22Å; I168-L171 HydrophobicContact CB-CD1 4.48Å; I168-L171 HydrophobicContact CB-CG 4.45Å; I168-L171 HydrophobicContact CD1-CD1 4.1Å; I168-L171 HydrophobicContact CG2-CB 3.95Å; I168-L171 HydrophobicContact CG2-CD1 3.87Å; I168-L171 HydrophobicContact CG2-CG 3.69Å; I168-L171 PolarHBondContact O-N 2.81Å; L171-L187 HydrophobicContact CB-CD1 4.34Å; L171-A189 HydrophobicContact CD2-CB 3.71Å; L171-F195 HydrophobicContact CD1-CD2 4.31Å; L171-F195 HydrophobicContact CD2-CD2 3.83Å; L171-F195 HydrophobicContact CD2-CE2 3.74Å; L171-F195 HydrophobicContact CG-CD2 4.1Å; L171-F195 HydrophobicContact CG-CE2 4.5Å; L171-V214 HydrophobicContact CD1-CG1 4.19Å
172G88.5Confident92.5Very high1 Ų132.5 Ų32.51%0.0116%0.163CC..  trans172.3-149.117500000114.2Q36 I168Q36-G172 VanDerWaalsContact OE1-C 3.24Å; I168-G172 PolarHBondContact O-N 3.12Å; I168-G172 VanDerWaalsContact O-N 3.13Å
173G87.7Confident92.5Very high11 Ų1132 Ų3211%0.11316%0.157CC..  trans-73.2-176.1-179.100000113.5Q36Q36-G173 VanDerWaalsContact NE2-CA 3.31Å; Q36-G173 VanDerWaalsContact NE2-N 3.12Å
174Q92.7Very high92.3Very high94 Ų9430.8 Ų30.844%0.43915%0.152SC..EExtended strand (participates in β ladder)trans-107.8148.4174.568.1-168.12.900110.3F166 W167 S200F166-Q174 VanDerWaalsContact O-CA 3.22Å; F166-Q174 WeakPolarHBondContact O-CA 3.33Å; W167-Q174 HydrophobicContact CB-CB 3.75Å; W167-Q174 HydrophobicContact CG-CB 3.83Å; Q174-S200 PolarHBondContact OE1-OG 3.34Å
175K94.5Very high92Very high35 Ų3531.9 Ų31.915%0.15216%0.156CC..EExtended strand (participates in β ladder)trans-138.2140.5171.5-168.3167.7-162.7163.60109.7E109 L157 F166 M183 N184 W185E109-K175 IonicContact OE2-NZ 3.3Å; E109-K175 PolarHBondContact OE2-NZ 3.15Å; L157-K175 HydrophobicContact CD1-CB 3.59Å; L157-K175 HydrophobicContact CD1-CD 4.37Å; L157-K175 HydrophobicContact CD1-CG 3.96Å; F166-K175 PolarHBondContact N-O 3.36Å; F166-K175 PolarHBondContact O-N 2.9Å; F166-K175 VanDerWaalsContact O-N 3.15Å; K175-M183 HydrophobicContact CD-CB 4.42Å; K175-N184 WeakPolarHBondContact CD-O 3.45Å; K175-N184 WeakPolarHBondContact CE-O 3.39Å; K175-N184 PolarHBondContact NZ-O 2.86Å; K175-W185 HydrophobicContact CB-CB 4.3Å; K175-W185 HydrophobicContact CB-CD2 4.08Å; K175-W185 HydrophobicContact CB-CE3 4.41Å; K175-W185 HydrophobicContact CB-CG 4.03Å; K175-W185 HydrophobicContact CD-CB 3.88Å; K175-W185 HydrophobicContact CD-CD2 4.06Å; K175-W185 HydrophobicContact CD-CE3 3.73Å; K175-W185 HydrophobicContact CD-CG 4.16Å
176Y96.2Very high91.8Very high107 Ų10733.3 Ų33.342%0.4217%0.165SC..EExtended strand (participates in β ladder)trans-69.8137.9-178.3-64.4-38.8000111.8M163 T164 N201M163-Y176 HydrophobicContact CE-CD1 3.91Å; M163-Y176 HydrophobicContact CE-CD2 3.09Å; M163-Y176 HydrophobicContact CE-CE1 4.37Å; M163-Y176 HydrophobicContact CE-CE2 3.6Å; M163-Y176 HydrophobicContact CE-CG 3.27Å; T164-Y176 CarbonylContact O-C 3.56Å; T164-Y176 VanDerWaalsContact O-CA 3.3Å; T164-Y176 WeakPolarHBondContact O-CA 3.33Å; Y176-N201 HydrophobicContact CE1-CB 4.3Å
177A95.7Very high91.5Very high0 Ų033.3 Ų33.30%017%0.165CC..EExtended strand (participates in β ladder)trans-100.7123165.100000107.3W130 L157 A159 T164W130-A177 HydrophobicContact CH2-CB 4.01Å; W130-A177 HydrophobicContact CZ3-CB 4.29Å; L157-A177 HydrophobicContact CB-CB 4.08Å; A159-A177 HydrophobicContact CB-CB 4.39Å; T164-A177 PolarHBondContact N-O 2.84Å; T164-A177 PolarHBondContact O-N 3.11Å
178M93.1Very high91.4Very high49 Ų4932.8 Ų32.824%0.24117%0.165CC..  trans-120.5146.2-172.5-70.7174.6-79.400109.9A159 M163 M181 M183A159-M178 PolarHBondContact N-O 2.81Å; M163-M178 HydrophobicContact CE-CG 4.19Å; M163-M178 HydrophobicContact CE-SD 4.38Å; M163-M178 HydrophobicContact CG-CG 4.16Å; M163-M178 HydrophobicContact SD-CG 4.35Å; M178-M181 VanDerWaalsContact O-O 3.13Å; M178-M183 HydrophobicContact CE-CE 4Å; M178-M183 HydrophobicContact CE-CG 3.52Å; M178-M183 HydrophobicContact CE-SD 3.6Å
179T91.7Very high91.3Very high50 Ų5032.8 Ų32.831%0.30717%0.165SC..BIsolated β-bridgetrans-73.5132.8177.5-45.20000109.4A159 D161 M181 P269A159-T179 WeakPolarHBondContact O-CA 3.4Å; D161-T179 PolarHBondContact O-OG1 2.7Å; D161-T179 VanDerWaalsContact O-OG1 3.07Å; T179-M181 VanDerWaalsContact C-N 3.34Å; T179-M181 PolarHBondContact O-N 3.49Å; T179-P269 HydrophobicContact CG2-CB 3.62Å
180G88.5Confident91.2Very high5 Ų534.7 Ų34.75%0.05218%0.178CC..THydrogen-bonded Turntrans80.16.218000000115.9A266 N313G180-A266 CarbonylContact C-O 3.5Å; G180-A266 VanDerWaalsContact CA-O 3.32Å; G180-A266 WeakPolarHBondContact CA-O 3.44Å; G180-N313 PolarHBondContact O-ND2 3.3Å
181M87Confident91.3Very high60 Ų6037.9 Ų37.930%0.29619%0.193SC..  trans-141.2154.3178-59.7-171.369.200111.6M178 T179 M347M178-M181 VanDerWaalsContact O-O 3.13Å; T179-M181 VanDerWaalsContact C-N 3.34Å; T179-M181 PolarHBondContact O-N 3.49Å; M181-M347 HydrophobicContact CB-CE 4.04Å; M181-M347 HydrophobicContact CE-CE 3.95Å; M181-M347 HydrophobicContact CG-CE 3.56Å; M181-M347 HydrophobicContact SD-CE 4.44Å
182T90.4Very high91.4Very high45 Ų4542 Ų4228%0.27622%0.219SC..  trans-114.5119.5174.7-530000109.8K156 L157 Q158 A266K156-T182 HydrophobicContact CB-CG2 3.78Å; K156-T182 HydrophobicContact CD-CG2 4.1Å; K156-T182 HydrophobicContact CG-CG2 4.48Å; L157-T182 WeakPolarHBondContact O-CA 3.39Å; Q158-T182 HydrophobicContact CG-CG2 4.07Å; Q158-T182 PolarHBondContact NE2-OG1 3.02Å; T182-A266 WeakPolarHBondContact OG1-CB 2.84Å
183M90.2Very high91.6Very high51 Ų5143.4 Ų43.425%0.25123%0.233SC..EExtended strand (participates in β ladder)trans-104.3131.9177.7-58.3-58.5-72.900110.7L157 K175 M178L157-M183 HydrophobicContact CB-CB 4.24Å; L157-M183 PolarHBondContact N-O 3.2Å; L157-M183 PolarHBondContact O-N 2.98Å; K175-M183 HydrophobicContact CD-CB 4.42Å; M178-M183 HydrophobicContact CE-CE 4Å; M178-M183 HydrophobicContact CE-CG 3.52Å; M178-M183 HydrophobicContact CE-SD 3.6Å
184N89.6Confident92Very high49 Ų4947.2 Ų47.226%0.26225%0.254SS..EExtended strand (participates in β ladder)trans-87.4133.1177-61.7-22.8000110.5F155 K156 K175F155-N184 CarbonylContact O-C 3.59Å; F155-N184 WeakPolarHBondContact O-CA 3.37Å; K156-N184 WeakPolarHBondContact CD-OD1 3.35Å; K156-N184 WeakPolarHBondContact CE-OD1 3.16Å; K156-N184 PolarHBondContact NZ-OD1 2.77Å; K175-N184 WeakPolarHBondContact CD-O 3.45Å; K175-N184 WeakPolarHBondContact CE-O 3.39Å; K175-N184 PolarHBondContact NZ-O 2.86Å
185W90.8Very high92Very high23 Ų2343.1 Ų43.19%0.08724%0.235CC..EExtended strand (participates in β ladder)trans-139.2120.2173.1-171.1-129000110.8F155 L157 K175 L187F155-W185 HydrophobicContact CB-CB 4.35Å; F155-W185 WeakPolarHBondContact CB-O 3.38Å; F155-W185 WeakPolarHBondContact CD2-O 3.35Å; F155-W185 PolarHBondContact N-O 2.97Å; F155-W185 PolarHBondContact O-N 3.02Å; L157-W185 HydrophobicContact CD1-CB 3.93Å; L157-W185 HydrophobicContact CG-CB 4.43Å; K175-W185 HydrophobicContact CB-CB 4.3Å; K175-W185 HydrophobicContact CB-CD2 4.08Å; K175-W185 HydrophobicContact CB-CE3 4.41Å; K175-W185 HydrophobicContact CB-CG 4.03Å; K175-W185 HydrophobicContact CD-CB 3.88Å; K175-W185 HydrophobicContact CD-CD2 4.06Å; K175-W185 HydrophobicContact CD-CE3 3.73Å; K175-W185 HydrophobicContact CD-CG 4.16Å; W185-L187 HydrophobicContact CZ2-CD2 4.1Å
186T90.9Very high92Very high30 Ų3047.1 Ų47.118%0.18425%0.249CC..EExtended strand (participates in β ladder)trans-98.8124.4-178.7-50.20000109.8P112 P152 V153 V154P112-T186 HydrophobicContact CB-CG2 4.18Å; P112-T186 HydrophobicContact CG-CG2 4.06Å; P152-T186 HydrophobicContact CB-CG2 4.14Å; V153-T186 WeakPolarHBondContact O-CA 3.42Å; V154-T186 HydrophobicContact CG2-CG2 4.31Å
187L91.5Very high91.9Very high1 Ų142 Ų421%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-130.3159.6171.9-62.4171.6000110.3V32 V153 F155 F166 I168 L171 W185V32-L187 HydrophobicContact CB-CD2 4.35Å; V32-L187 HydrophobicContact CG1-CD2 4.37Å; V32-L187 HydrophobicContact CG2-CD2 4.48Å; V153-L187 PolarHBondContact N-O 3.29Å; V153-L187 PolarHBondContact O-N 3.43Å; F155-L187 HydrophobicContact CD2-CB 4.37Å; F155-L187 HydrophobicContact CD2-CD1 4.3Å; F155-L187 HydrophobicContact CD2-CG 4.44Å; F155-L187 HydrophobicContact CE2-CB 3.97Å; F155-L187 HydrophobicContact CE2-CD1 4.16Å; F155-L187 HydrophobicContact CE2-CG 4.4Å; F166-L187 HydrophobicContact CE1-CD1 4.24Å; I168-L187 HydrophobicContact CD1-CD1 4.18Å; L171-L187 HydrophobicContact CB-CD1 4.34Å; W185-L187 HydrophobicContact CZ2-CD2 4.1Å
188E91.3Very high91.8Very high49 Ų4945.9 Ų45.923%0.22924%0.244CC..  trans-143143.1178-178-174.1143.400109.4G30 P31G30-E188 WeakPolarHBondContact CA-O 3.4Å; P31-E188 WeakPolarHBondContact CD-O 3.5Å; P31-E188 HydrophobicContact CG-CB 3.93Å; P31-E188 HydrophobicContact CG-CG 4.44Å
189A92.7Very high91.9Very high0 Ų043.7 Ų43.70%023%0.233CC..  trans-104.4115.5173.400000110.7I147 K149 D150 L171 F195 A216I147-A189 HydrophobicContact CD1-CB 4.05Å; K149-A189 WeakPolarHBondContact CA-O 3.34Å; K149-A189 WeakPolarHBondContact CG-O 3.46Å; D150-A189 PolarHBondContact N-O 3.1Å; L171-A189 HydrophobicContact CD2-CB 3.71Å; A189-F195 HydrophobicContact CB-CE2 4.06Å; A189-A216 HydrophobicContact CB-CB 3.59Å
190S91.2Very high92Very high43 Ų4343 Ų4330%0.30123%0.231SC..SBendtrans-85.5-7.5177.9-49.80000113.5K29 P31 K149K29-S190 WeakPolarHBondContact O-CB 3.2Å; K29-S190 PolarHBondContact O-N 2.94Å; P31-S190 WeakPolarHBondContact CD-OG 3.4Å; K149-S190 VanDerWaalsContact CE-C 3.44Å; K149-S190 WeakPolarHBondContact CE-O 3.25Å
191Q91.2Very high92.3Very high92 Ų9245 Ų4543%0.4324%0.24SC..SBendtrans-136.6146.7178.6-64.1-172.31.700109.9K29 F195 A216K29-Q191 HydrophobicContact CD-CB 4.31Å; K29-Q191 HydrophobicContact CD-CG 4.37Å; K29-Q191 VanDerWaalsContact CD-OE1 3.22Å; Q191-F195 WeakPolarHBondContact O-CZ 3.25Å; Q191-A216 WeakPolarHBondContact O-CB 3.4Å
192T94.2Very high92.5Very high87 Ų8749.1 Ų49.153%0.53426%0.256SS..  trans-74.6147.4169.752.50000110.4K149 A216K149-T192 HydrophobicContact CB-CG2 4.17Å; K149-T192 HydrophobicContact CD-CG2 4.08Å; K149-T192 HydrophobicContact CG-CG2 4.3Å; T192-A216 CarbonylContact C-O 3.53Å; T192-A216 WeakPolarHBondContact CA-O 3.29Å; T192-A216 WeakPolarHBondContact CB-O 3.27Å
193G93.5Very high92.5Very high31 Ų3147.7 Ų47.732%0.3225%0.247SC..EExtended strand (participates in β ladder)trans153174.717800000112.2A216G193-A216 PolarHBondContact N-O 3.3Å; G193-A216 PolarHBondContact O-N 3.16Å
194T94.6Very high92.3Very high90 Ų9046.1 Ų46.155%0.55224%0.244SC*.EExtended strand (participates in β ladder)trans-98.1119.7172-58.40000109.4K213 V214 N215T194-K213 HydrophobicContact CG2-CB 4.15Å; T194-K213 HydrophobicContact CG2-CD 4.39Å; T194-K213 HydrophobicContact CG2-CG 4.38Å; T194-V214 CarbonylContact C-O 3.51Å; T194-V214 WeakPolarHBondContact CA-O 3.49Å; T194-N215 WeakPolarHBondContact CG2-OD1 3.36Å; T194-N215 PolarHBondContact OG1-OD1 2.99Å
195F93.6Very high92.1Very high9 Ų949 Ų494%0.03926%0.256CS..EExtended strand (participates in β ladder)trans-104.6153.2175.1-44.7-53.4000110.1K29 I168 Q170 L171 A189 Q191 V214 A216K29-F195 HydrophobicContact CB-CE1 3.81Å; K29-F195 HydrophobicContact CB-CE2 4.48Å; K29-F195 HydrophobicContact CB-CZ 3.76Å; K29-F195 HydrophobicContact CG-CD1 4.3Å; K29-F195 HydrophobicContact CG-CE1 3.62Å; K29-F195 HydrophobicContact CG-CZ 4.08Å; I168-F195 HydrophobicContact CG2-CB 4.3Å; Q170-F195 HydrophobicContact CB-CB 4.43Å; Q170-F195 HydrophobicContact CB-CD1 4.22Å; Q170-F195 HydrophobicContact CB-CG 4.39Å; Q170-F195 VanDerWaalsContact OE1-CD1 3.27Å; L171-F195 HydrophobicContact CD1-CD2 4.31Å; L171-F195 HydrophobicContact CD2-CD2 3.83Å; L171-F195 HydrophobicContact CD2-CE2 3.74Å; L171-F195 HydrophobicContact CG-CD2 4.1Å; L171-F195 HydrophobicContact CG-CE2 4.5Å; A189-F195 HydrophobicContact CB-CE2 4.06Å; Q191-F195 WeakPolarHBondContact O-CZ 3.25Å; F195-V214 HydrophobicContact CB-CB 4.22Å; F195-V214 HydrophobicContact CD2-CG1 4.4Å; F195-V214 PolarHBondContact N-O 3.3Å; F195-V214 PolarHBondContact O-N 3.07Å; F195-A216 HydrophobicContact CD2-CB 4.29Å; F195-A216 HydrophobicContact CE2-CB 3.47Å; F195-A216 VanDerWaalsContact CE2-CB 3.47Å; F195-A216 HydrophobicContact CZ-CB 4.13Å
196R93.5Very high91.8Very high118 Ų11848.3 Ų48.345%0.44526%0.255SS..EExtended strand (participates in β ladder)trans-91127.8176.3-173.8175.665.1168.51.5109.7E24 P169E24-R196 IonicContact OE1-CZ 3.14Å; E24-R196 IonicContact OE1-NE 3.19Å; E24-R196 PolarHBondContact OE1-NE 3.45Å; E24-R196 IonicContact OE1-NH2 2.92Å; E24-R196 PolarHBondContact OE1-NH2 3.49Å; E24-R196 IonicContact OE2-CZ 3.49Å; E24-R196 IonicContact OE2-NE 3.42Å; E24-R196 PolarHBondContact OE2-NE 3.32Å; E24-R196 IonicContact OE2-NH2 2.79Å; E24-R196 PolarHBondContact OE2-NH2 3.07Å; P169-R196 WeakPolarHBondContact CD-O 3.21Å
197G94.5Very high91.8Very high0 Ų048.9 Ų48.90%026%0.255CS..EExtended strand (participates in β ladder)trans-107.8149.6166.400000111W167 T211 F212W167-G197 WeakPolarHBondContact O-CA 3.38Å; G197-T211 WeakPolarHBondContact O-CA 3.2Å; G197-F212 VanDerWaalsContact C-CE1 3.44Å; G197-F212 VanDerWaalsContact CA-CZ 3.45Å; G197-F212 WeakPolarHBondContact CA-O 3.18Å; G197-F212 PolarHBondContact N-O 3.29Å; G197-F212 PolarHBondContact O-N 3.16Å; G197-F212 VanDerWaalsContact O-O 3.13Å
198R94.1Very high91.7Very high82 Ų8253.3 Ų53.331%0.30929%0.287SS..EExtended strand (participates in β ladder)trans-150.5159.5177.664.7178.4-64.11634.2111.9W167 T211W167-R198 HydrophobicContact CE3-CG 3.88Å; W167-R198 PolarHBondContact N-O 2.75Å; W167-R198 VanDerWaalsContact N-O 3.14Å; W167-R198 PolarHBondContact O-N 2.74Å; R198-T211 HydrophobicContact CB-CG2 4.23Å
199N95.3Very high91.7Very high2 Ų255.3 Ų55.31%0.01129%0.292CS..EExtended strand (participates in β ladder)trans-74.1139159.5-173.811.1000109.9S165 N201 N203 F207 Q210S165-N199 PolarHBondContact N-OD1 3.26Å; S165-N199 WeakPolarHBondContact O-CA 3.48Å; S165-N199 PolarHBondContact O-OD1 3.34Å; N199-N201 PolarHBondContact ND2-O 2.73Å; N199-N201 PolarHBondContact OD1-N 3.19Å; N199-N201 PolarHBondContact OD1-O 3.45Å; N199-N203 PolarHBondContact ND2-OD1 3.16Å; N199-F207 HydrophobicContact CB-CD2 4.26Å; N199-F207 HydrophobicContact CB-CE2 3.92Å; N199-Q210 HydrophobicContact CB-CB 4.08Å; N199-Q210 HydrophobicContact CB-CG 3.85Å; N199-Q210 PolarHBondContact N-O 2.81Å; N199-Q210 PolarHBondContact ND2-OE1 2.95Å
200S93.7Very high91.7Very high37 Ų3755.3 Ų55.326%0.25929%0.292SS..  trans-116.5-0.6174.659.70000115S165 Q174S165-S200 WeakPolarHBondContact CB-OG 3.49Å; S165-S200 PolarHBondContact O-N 2.85Å; S165-S200 VanDerWaalsContact O-N 3.11Å; S165-S200 PolarHBondContact OG-OG 2.9Å; Q174-S200 PolarHBondContact OE1-OG 3.34Å
201N94Very high91.9Very high45 Ų4556.5 Ų56.524%0.24130%0.298CS..SBendtrans-109126.4171.6-172.157.4000110.5M163 Y176 N199 N203 F207M163-N201 PolarHBondContact O-ND2 3.43Å; Y176-N201 HydrophobicContact CE1-CB 4.3Å; N199-N201 PolarHBondContact ND2-O 2.73Å; N199-N201 PolarHBondContact OD1-N 3.19Å; N199-N201 PolarHBondContact OD1-O 3.45Å; N201-N203 PolarHBondContact O-N 3.09Å; N201-F207 VanDerWaalsContact O-CD2 3.25Å; N201-F207 WeakPolarHBondContact O-CD2 3.2Å; N201-F207 WeakPolarHBondContact O-CE2 3.44Å
202F92.5Very high92.1Very high148 Ų14852.4 Ų52.465%0.64928%0.278SS*.  trans-59129.9179.2177.4-100.9000110.5G204 F207F202-G204 WeakPolarHBondContact CE2-O 3.39Å; F202-F207 HydrophobicContact CD2-CB 4.17Å; F202-F207 HydrophobicContact CD2-CD1 4.11Å; F202-F207 HydrophobicContact CD2-CG 4.17Å; F202-F207 HydrophobicContact CE2-CB 4.47Å
203N90.1Very high92.1Very high15 Ų1554.8 Ų54.88%0.0828%0.281CS..  trans-138.918.3-17674.1-30.1000113.9Y128 T162 T164 N199 N201 F207 Q210Y128-N203 WeakPolarHBondContact CE1-O 3.31Å; T162-N203 WeakPolarHBondContact OG1-CB 3.49Å; T164-N203 HydrophobicContact CG2-CB 4.22Å; T164-N203 WeakPolarHBondContact CG2-ND2 3.26Å; N199-N203 PolarHBondContact ND2-OD1 3.16Å; N201-N203 PolarHBondContact O-N 3.09Å; N203-F207 WeakPolarHBondContact OD1-CA 3.33Å; N203-F207 WeakPolarHBondContact OD1-CB 3.39Å; N203-F207 WeakPolarHBondContact OD1-CD2 3.41Å; N203-Q210 PolarHBondContact ND2-OE1 2.78Å; N203-Q210 PolarHBondContact OD1-OE1 3.25Å
204G86.3Confident92.3Very high18 Ų1853.3 Ų53.319%0.18627%0.266CS..SBendtrans120.8-166.8177.500000114.1Y128 F202 G206 F207Y128-G204 WeakPolarHBondContact OH-CA 3.44Å; F202-G204 WeakPolarHBondContact CE2-O 3.39Å; G204-G206 PolarHBondContact O-N 3.12Å; G204-F207 WeakPolarHBondContact O-CB 3.35Å; G204-F207 PolarHBondContact O-N 3.48Å; G204-F207 VanDerWaalsContact O-N 3.09Å
205E84.3Confident92.4Very high110 Ų11051 Ų5151%0.51425%0.25SS..G310 helixtrans-60.3-40.2-170.1-173.1179.3-176.400113.4Y128 F207 M294Y128-E205 PolarHBondContact OH-N 2.78Å; Y128-E205 VanDerWaalsContact OH-N 3.15Å; E205-F207 PolarHBondContact O-N 3.39Å; E205-M294 WeakPolarHBondContact OE1-CE 3.47Å
206G85.3Confident92.5Very high7 Ų750.6 Ų50.67%0.07225%0.249CC..G310 helixtrans-80.88178.700000114.6Y128 G204 S208 R209 Q210Y128-G206 WeakPolarHBondContact CB-O 3.38Å; Y128-G206 VanDerWaalsContact CD1-CA 3.44Å; Y128-G206 VanDerWaalsContact CG-CA 3.43Å; Y128-G206 VanDerWaalsContact CZ-N 3.3Å; G204-G206 PolarHBondContact O-N 3.12Å; G206-S208 VanDerWaalsContact C-N 3.28Å; G206-S208 PolarHBondContact O-N 3.3Å; G206-R209 WeakPolarHBondContact O-CG 3.4Å; G206-R209 PolarHBondContact O-N 2.83Å; G206-Q210 PolarHBondContact O-N 2.92Å
207F90.3Very high92.6Very high42 Ų4246.6 Ų46.618%0.18424%0.237CC..G310 helixtrans-55.1-42.2-178.8171.8-112.2000112.8N199 N201 F202 N203 G204 E205 R209 Q210N199-F207 HydrophobicContact CB-CD2 4.26Å; N199-F207 HydrophobicContact CB-CE2 3.92Å; N201-F207 VanDerWaalsContact O-CD2 3.25Å; N201-F207 WeakPolarHBondContact O-CD2 3.2Å; N201-F207 WeakPolarHBondContact O-CE2 3.44Å; F202-F207 HydrophobicContact CD2-CB 4.17Å; F202-F207 HydrophobicContact CD2-CD1 4.11Å; F202-F207 HydrophobicContact CD2-CG 4.17Å; F202-F207 HydrophobicContact CE2-CB 4.47Å; N203-F207 WeakPolarHBondContact OD1-CA 3.33Å; N203-F207 WeakPolarHBondContact OD1-CB 3.39Å; N203-F207 WeakPolarHBondContact OD1-CD2 3.41Å; G204-F207 WeakPolarHBondContact O-CB 3.35Å; G204-F207 PolarHBondContact O-N 3.48Å; G204-F207 VanDerWaalsContact O-N 3.09Å; E205-F207 PolarHBondContact O-N 3.39Å; F207-R209 VanDerWaalsContact C-N 3.29Å; F207-R209 PolarHBondContact O-N 3.12Å; F207-Q210 WeakPolarHBondContact O-CB 3.33Å; F207-Q210 PolarHBondContact O-N 2.82Å; F207-Q210 VanDerWaalsContact O-N 3.15Å
208S90.4Very high92.7Very high95 Ų9548.7 Ų48.766%0.66425%0.252SS*.G310 helixtrans-63.6-32.5-175.663.30000113.6G206G206-S208 VanDerWaalsContact C-N 3.28Å; G206-S208 PolarHBondContact O-N 3.3Å
209R90.5Very high92.6Very high90 Ų9048.6 Ų48.634%0.3426%0.255SS..G310 helixtrans-85.6-7179.653.3179.5-90.9-173.7-7.5113.2G206 F207 T211 T248 N250G206-R209 WeakPolarHBondContact O-CG 3.4Å; G206-R209 PolarHBondContact O-N 2.83Å; F207-R209 VanDerWaalsContact C-N 3.29Å; F207-R209 PolarHBondContact O-N 3.12Å; R209-T211 PolarHBondContact O-N 2.91Å; R209-T248 PolarHBondContact NH2-O 3Å; R209-N250 VanDerWaalsContact C-ND2 3.34Å; R209-N250 WeakPolarHBondContact CB-ND2 3.25Å; R209-N250 WeakPolarHBondContact CG-ND2 3.13Å; R209-N250 PolarHBondContact NE-ND2 2.84Å; R209-N250 PolarHBondContact NE-OD1 3.38Å; R209-N250 PolarHBondContact NH2-OD1 2.79Å; R209-N250 PolarHBondContact O-ND2 3.4Å
210Q93.2Very high92.6Very high1 Ų156.7 Ų56.71%0.00529%0.29CS..  trans-78.568.6-179.1-165.7174.29.900111.4Y128 K129 N199 N203 G206 F207Y128-Q210 WeakPolarHBondContact O-CG 3.44Å; K129-Q210 PolarHBondContact O-NE2 2.85Å; N199-Q210 HydrophobicContact CB-CB 4.08Å; N199-Q210 HydrophobicContact CB-CG 3.85Å; N199-Q210 PolarHBondContact N-O 2.81Å; N199-Q210 PolarHBondContact ND2-OE1 2.95Å; N203-Q210 PolarHBondContact ND2-OE1 2.78Å; N203-Q210 PolarHBondContact OD1-OE1 3.25Å; G206-Q210 PolarHBondContact O-N 2.92Å; F207-Q210 WeakPolarHBondContact O-CB 3.33Å; F207-Q210 PolarHBondContact O-N 2.82Å; F207-Q210 VanDerWaalsContact O-N 3.15Å
211T94.2Very high92.7Very high68 Ų6859 Ų5942%0.41730%0.3SS..EExtended strand (participates in β ladder)trans-120.5150.2176.864.10000109.7G197 R198 R209G197-T211 WeakPolarHBondContact O-CA 3.2Å; R198-T211 HydrophobicContact CB-CG2 4.23Å; R209-T211 PolarHBondContact O-N 2.91Å
212F95.6Very high92.8Very high5 Ų557 Ų572%0.02229%0.289CS..EExtended strand (participates in β ladder)trans-140.5154.717958.6-85.2000110.2W130 F132 N143 F166 I168 G197 V214W130-F212 HydrophobicContact CB-CD1 4.32Å; W130-F212 AromaticContact CD1-CD1 3.38Å; W130-F212 AromaticContact CD1-CE1 3.72Å; W130-F212 HydrophobicContact CD2-CE1 4.44Å; W130-F212 AromaticContact CG-CD1 3.87Å; W130-F212 HydrophobicContact CG-CD1 3.87Å; W130-F212 HydrophobicContact CG-CE1 4.12Å; W130-F212 AromaticContact NE1-CD1 3.87Å; W130-F212 AromaticContact NE1-CE1 3.76Å; F132-F212 HydrophobicContact CE2-CB 4.18Å; F132-F212 AromaticContact CE2-CD2 3.91Å; F132-F212 HydrophobicContact CE2-CD2 3.91Å; F132-F212 HydrophobicContact CE2-CG 4.08Å; F132-F212 HydrophobicContact CZ-CB 4.49Å; F132-F212 HydrophobicContact CZ-CD1 4.33Å; F132-F212 AromaticContact CZ-CD2 3.58Å; F132-F212 HydrophobicContact CZ-CD2 3.58Å; F132-F212 HydrophobicContact CZ-CE1 4.48Å; F132-F212 AromaticContact CZ-CE2 3.75Å; F132-F212 HydrophobicContact CZ-CE2 3.75Å; F132-F212 AromaticContact CZ-CG 3.9Å; F132-F212 HydrophobicContact CZ-CG 3.9Å; F132-F212 HydrophobicContact CZ-CZ 4.23Å; N143-F212 HydrophobicContact CB-CB 4.42Å; N143-F212 VanDerWaalsContact O-CA 3.25Å; N143-F212 WeakPolarHBondContact O-CA 3.38Å; N143-F212 VanDerWaalsContact O-CB 3.29Å; N143-F212 WeakPolarHBondContact O-CB 3.42Å; F166-F212 HydrophobicContact CD2-CE1 4.07Å; F166-F212 HydrophobicContact CD2-CE2 4.47Å; F166-F212 AromaticContact CD2-CZ 3.62Å; F166-F212 HydrophobicContact CD2-CZ 3.62Å; F166-F212 AromaticContact CE2-CE1 3.93Å; F166-F212 HydrophobicContact CE2-CE1 3.93Å; F166-F212 AromaticContact CE2-CE2 3.57Å; F166-F212 HydrophobicContact CE2-CE2 3.57Å; F166-F212 AromaticContact CE2-CZ 3.11Å; F166-F212 HydrophobicContact CE2-CZ 3.11Å; F166-F212 HydrophobicContact CZ-CE2 4.02Å; F166-F212 AromaticContact CZ-CZ 3.83Å; F166-F212 HydrophobicContact CZ-CZ 3.83Å; I168-F212 HydrophobicContact CD1-CE2 4.1Å; I168-F212 HydrophobicContact CD1-CZ 4.43Å; I168-F212 HydrophobicContact CG1-CE2 3.87Å; I168-F212 HydrophobicContact CG1-CZ 3.87Å; G197-F212 VanDerWaalsContact C-CE1 3.44Å; G197-F212 VanDerWaalsContact CA-CZ 3.45Å; G197-F212 WeakPolarHBondContact CA-O 3.18Å; G197-F212 PolarHBondContact N-O 3.29Å; G197-F212 PolarHBondContact O-N 3.16Å; G197-F212 VanDerWaalsContact O-O 3.13Å; F212-V214 HydrophobicContact CD2-CG2 3.68Å; F212-V214 HydrophobicContact CE2-CG2 3.5Å
213K95.7Very high93Very high138 Ų13853.5 Ų53.560%0.628%0.277SS*.EExtended strand (participates in β ladder)trans-97138.7176.1-67.9-178.2-179.4179.30109.7N143 T144 L145 T194N143-K213 PolarHBondContact O-N 3.32Å; N143-K213 VanDerWaalsContact O-N 3.12Å; T144-K213 CarbonylContact C-O 3.59Å; T144-K213 WeakPolarHBondContact CA-O 3.37Å; L145-K213 PolarHBondContact N-O 3.04Å; T194-K213 HydrophobicContact CG2-CB 4.15Å; T194-K213 HydrophobicContact CG2-CD 4.39Å; T194-K213 HydrophobicContact CG2-CG 4.38Å
214V96.2Very high93.3Very high0 Ų058.8 Ų58.80%030%0.299CS..EExtended strand (participates in β ladder)trans-116.1110.5176.6-176.20000108.4L145 I147 I168 L171 T194 F195 F212L145-V214 HydrophobicContact CB-CG1 4.49Å; L145-V214 HydrophobicContact CB-CG2 4.27Å; L145-V214 HydrophobicContact CD2-CB 4.44Å; L145-V214 HydrophobicContact CD2-CG1 3.81Å; L145-V214 HydrophobicContact CD2-CG2 3.97Å; L145-V214 HydrophobicContact CG-CG1 4.26Å; L145-V214 CarbonylContact O-C 3.54Å; L145-V214 VanDerWaalsContact O-CA 3.25Å; L145-V214 WeakPolarHBondContact O-CA 3.35Å; I147-V214 HydrophobicContact CD1-CG1 4.1Å; I147-V214 HydrophobicContact CG1-CG1 4.28Å; I168-V214 HydrophobicContact CD1-CG1 4.5Å; I168-V214 HydrophobicContact CD1-CG2 3.78Å; I168-V214 HydrophobicContact CG1-CG2 4.05Å; I168-V214 HydrophobicContact CG2-CG2 4.21Å; L171-V214 HydrophobicContact CD1-CG1 4.19Å; T194-V214 CarbonylContact C-O 3.51Å; T194-V214 WeakPolarHBondContact CA-O 3.49Å; F195-V214 HydrophobicContact CB-CB 4.22Å; F195-V214 HydrophobicContact CD2-CG1 4.4Å; F195-V214 PolarHBondContact N-O 3.3Å; F195-V214 PolarHBondContact O-N 3.07Å; F212-V214 HydrophobicContact CD2-CG2 3.68Å; F212-V214 HydrophobicContact CE2-CG2 3.5Å
215N96.6Very high93.8Very high40 Ų4059.1 Ų59.121%0.21430%0.295CS..EExtended strand (participates in β ladder)trans-97.4107.7179-56.4-49.5000109L145 T146 I147 T194 V217L145-N215 PolarHBondContact O-N 3.2Å; T146-N215 CarbonylContact C-O 3.58Å; T146-N215 WeakPolarHBondContact CA-O 3.33Å; T146-N215 HydrophobicContact CG2-CB 4.34Å; I147-N215 PolarHBondContact N-O 2.68Å; T194-N215 WeakPolarHBondContact CG2-OD1 3.36Å; T194-N215 PolarHBondContact OG1-OD1 2.99Å; N215-V217 HydrophobicContact CB-CG1 4.29Å
216A96.1Very high94.3Very high2 Ų254.5 Ų54.52%0.01727%0.274CS..EExtended strand (participates in β ladder)trans-87118.1167.600000109.4I147 A189 Q191 T192 G193 F195I147-A216 HydrophobicContact CG1-CB 4.39Å; I147-A216 WeakPolarHBondContact O-CA 3.38Å; A189-A216 HydrophobicContact CB-CB 3.59Å; Q191-A216 WeakPolarHBondContact O-CB 3.4Å; T192-A216 CarbonylContact C-O 3.53Å; T192-A216 WeakPolarHBondContact CA-O 3.29Å; T192-A216 WeakPolarHBondContact CB-O 3.27Å; G193-A216 PolarHBondContact N-O 3.3Å; G193-A216 PolarHBondContact O-N 3.16Å; F195-A216 HydrophobicContact CD2-CB 4.29Å; F195-A216 HydrophobicContact CE2-CB 3.47Å; F195-A216 VanDerWaalsContact CE2-CB 3.47Å; F195-A216 HydrophobicContact CZ-CB 4.13Å
217V96.2Very high94.8Very high33 Ų3361.7 Ų61.720%0.230%0.303CS..EExtended strand (participates in β ladder)trans-126.9168.3-172.7-60.80000111.4T146 I147 P148 K149 N215 D221 Y222T146-V217 HydrophobicContact CG2-CG1 4.39Å; T146-V217 HydrophobicContact CG2-CG2 3.81Å; I147-V217 PolarHBondContact O-N 3.12Å; P148-V217 WeakPolarHBondContact CA-O 3.46Å; K149-V217 WeakPolarHBondContact CB-O 3.03Å; K149-V217 PolarHBondContact N-O 3.1Å; N215-V217 HydrophobicContact CB-CG1 4.29Å; V217-D221 HydrophobicContact CB-CB 4.01Å; V217-D221 HydrophobicContact CG2-CB 4.28Å; V217-Y222 HydrophobicContact CG2-CD2 4.46Å
218S95.9Very high95.1Very high44 Ų4464.6 Ų64.631%0.30832%0.318SS..  trans-66.9156.617278.60000110.5K220 D221 Y222S218-K220 PolarHBondContact O-N 3.24Å; S218-D221 PolarHBondContact O-N 3.41Å; S218-D221 VanDerWaalsContact O-N 3.11Å; S218-D221 PolarHBondContact OG-N 2.93Å; S218-D221 PolarHBondContact OG-OD2 3.3Å; S218-Y222 PolarHBondContact O-N 3.45Å
219Q93.3Very high95.3Very high81 Ų8160.1 Ų60.138%0.37929%0.286SS..Hα-helixtrans-55.9-37.9177.3-173.862.748.300112Y222 D223Q219-Y222 WeakPolarHBondContact O-CB 3.47Å; Q219-Y222 PolarHBondContact O-N 3.44Å; Q219-D223 PolarHBondContact NE2-OD1 2.81Å; Q219-D223 PolarHBondContact O-N 3.25Å
220K95.1Very high95.4Very high171 Ų17160.1 Ų60.174%0.74329%0.288SS*.Hα-helixtrans-63.9-42.3177.9-176.1-177.8178.2-176.80112.4S218 K224S218-K220 PolarHBondContact O-N 3.24Å; K220-K224 PolarHBondContact O-N 2.8Å; K220-K224 VanDerWaalsContact O-N 3.14Å
221D96.2Very high95.3Very high86 Ų8663.4 Ų63.446%0.4632%0.323SS..Hα-helixtrans-72.5-33.6178.4-60.7-40.8000111.2V217 S218 K224 W225V217-D221 HydrophobicContact CB-CB 4.01Å; V217-D221 HydrophobicContact CG2-CB 4.28Å; S218-D221 PolarHBondContact O-N 3.41Å; S218-D221 VanDerWaalsContact O-N 3.11Å; S218-D221 PolarHBondContact OG-N 2.93Å; S218-D221 PolarHBondContact OG-OD2 3.3Å; D221-K224 PolarHBondContact O-N 3Å; D221-W225 WeakPolarHBondContact O-CB 3.38Å; D221-W225 PolarHBondContact O-N 3.4Å
222Y95.8Very high95.3Very high2 Ų264.8 Ų64.81%0.00832%0.323CS..Hα-helixtrans-59.6-52.8171.6-177.6-96.2000110.8M119 E137 T146 P148 V217 S218 Q219 K224 W225 V226M119-Y222 HydrophobicContact CE-CE2 3.89Å; M119-Y222 WeakPolarHBondContact CE-OH 3.24Å; E137-Y222 PolarHBondContact OE1-OH 3.22Å; T146-Y222 HydrophobicContact CG2-CD2 4.16Å; T146-Y222 WeakPolarHBondContact O-CE2 3.04Å; P148-Y222 HydrophobicContact CB-CG 4.28Å; P148-Y222 HydrophobicContact CG-CD2 4.46Å; P148-Y222 HydrophobicContact CG-CG 4.4Å; V217-Y222 HydrophobicContact CG2-CD2 4.46Å; S218-Y222 PolarHBondContact O-N 3.45Å; Q219-Y222 WeakPolarHBondContact O-CB 3.47Å; Q219-Y222 PolarHBondContact O-N 3.44Å; Y222-K224 PolarHBondContact O-N 3.05Å; Y222-W225 HydrophobicContact CD2-CE3 4.03Å; Y222-W225 HydrophobicContact CD2-CZ3 4.25Å; Y222-W225 AromaticContact CE2-CE3 3.78Å; Y222-W225 HydrophobicContact CE2-CE3 3.78Å; Y222-W225 AromaticContact CE2-CZ3 3.54Å; Y222-W225 HydrophobicContact CE2-CZ3 3.54Å; Y222-W225 PolarHBondContact O-N 3.3Å; Y222-W225 VanDerWaalsContact O-N 3.09Å; Y222-V226 HydrophobicContact CD1-CG2 4.03Å; Y222-V226 HydrophobicContact CE1-CG2 3.54Å; Y222-V226 HydrophobicContact CE2-CG2 4.28Å; Y222-V226 WeakPolarHBondContact O-CG2 3.49Å; Y222-V226 PolarHBondContact O-N 3.5Å
223D95.5Very high95.2Very high75 Ų7570.2 Ų70.240%0.40135%0.347SS..Hα-helixtrans-61.1-32.8179.7-59.9-20.5000112.1Q219 K227Q219-D223 PolarHBondContact NE2-OD1 2.81Å; Q219-D223 PolarHBondContact O-N 3.25Å; D223-K227 WeakPolarHBondContact O-CG 3.22Å; D223-K227 PolarHBondContact O-N 3.44Å
224K96.6Very high95Very high126 Ų12667.2 Ų67.255%0.54834%0.34SS..Hα-helixtrans-67.8-49.6173.6-175.3-174.1175.7-160.80111.2K220 D221 Y222 V226 K227 E228K220-K224 PolarHBondContact O-N 2.8Å; K220-K224 VanDerWaalsContact O-N 3.14Å; D221-K224 PolarHBondContact O-N 3Å; Y222-K224 PolarHBondContact O-N 3.05Å; K224-V226 VanDerWaalsContact C-N 3.33Å; K224-V226 PolarHBondContact O-N 3.4Å; K224-K227 WeakPolarHBondContact O-CB 3.26Å; K224-K227 PolarHBondContact O-N 3.09Å; K224-E228 WeakPolarHBondContact CE-OE1 3.49Å; K224-E228 IonicContact NZ-OE1 3.21Å; K224-E228 WeakPolarHBondContact O-CG 3.33Å; K224-E228 PolarHBondContact O-N 2.9Å
225W96.7Very high94.9Very high25 Ų2567.4 Ų67.410%0.09534%0.341CS..Hα-helixtrans-58.9-43.5177.8167.477.4000111.5Y134 I139 T141 T146 D221 Y222 K227 E228 V229 E254Y134-W225 HydrophobicContact CE1-CH2 4.07Å; Y134-W225 HydrophobicContact CE1-CZ3 4.31Å; Y134-W225 AromaticContact CE2-CH2 3.94Å; Y134-W225 HydrophobicContact CE2-CH2 3.94Å; Y134-W225 AromaticContact CZ-CH2 3.65Å; I139-W225 HydrophobicContact CD1-CE3 4.34Å; I139-W225 HydrophobicContact CD1-CH2 3.4Å; I139-W225 HydrophobicContact CD1-CZ2 4.21Å; I139-W225 HydrophobicContact CD1-CZ3 3.47Å; I139-W225 VanDerWaalsContact CD1-CZ3 3.47Å; T141-W225 HydrophobicContact CG2-CH2 4.29Å; T141-W225 HydrophobicContact CG2-CZ2 3.72Å; T146-W225 HydrophobicContact CG2-CD2 3.83Å; T146-W225 HydrophobicContact CG2-CE3 3.87Å; T146-W225 HydrophobicContact CG2-CG 4.21Å; T146-W225 HydrophobicContact CG2-CZ3 4.36Å; D221-W225 WeakPolarHBondContact O-CB 3.38Å; D221-W225 PolarHBondContact O-N 3.4Å; Y222-W225 HydrophobicContact CD2-CE3 4.03Å; Y222-W225 HydrophobicContact CD2-CZ3 4.25Å; Y222-W225 AromaticContact CE2-CE3 3.78Å; Y222-W225 HydrophobicContact CE2-CE3 3.78Å; Y222-W225 AromaticContact CE2-CZ3 3.54Å; Y222-W225 HydrophobicContact CE2-CZ3 3.54Å; Y222-W225 PolarHBondContact O-N 3.3Å; Y222-W225 VanDerWaalsContact O-N 3.09Å; W225-K227 VanDerWaalsContact C-N 3.3Å; W225-K227 PolarHBondContact O-N 2.98Å; W225-E228 WeakPolarHBondContact O-CB 3.47Å; W225-E228 PolarHBondContact O-N 2.9Å; W225-E228 VanDerWaalsContact O-N 3.09Å; W225-V229 HydrophobicContact CD2-CG2 4.18Å; W225-V229 HydrophobicContact CG-CG2 4.41Å; W225-V229 HydrophobicContact CZ2-CG2 3.92Å; W225-V229 WeakPolarHBondContact O-CG2 3.42Å; W225-V229 PolarHBondContact O-N 3.26Å; W225-E254 PolarHBondContact NE1-OE1 2.96Å
226V96Very high94.7Very high13 Ų1368.2 Ų68.28%0.07935%0.345CS..Hα-helixtrans-56.5-44.3175.9171.80000111.3E137 I139 Y222 K224 E228 V229 K230E137-V226 HydrophobicContact CB-CG1 3.92Å; E137-V226 HydrophobicContact CG-CG1 3.8Å; E137-V226 HydrophobicContact CG-CG2 3.93Å; I139-V226 HydrophobicContact CD1-CG2 4.17Å; Y222-V226 HydrophobicContact CD1-CG2 4.03Å; Y222-V226 HydrophobicContact CE1-CG2 3.54Å; Y222-V226 HydrophobicContact CE2-CG2 4.28Å; Y222-V226 WeakPolarHBondContact O-CG2 3.49Å; Y222-V226 PolarHBondContact O-N 3.5Å; K224-V226 VanDerWaalsContact C-N 3.33Å; K224-V226 PolarHBondContact O-N 3.4Å; V226-E228 VanDerWaalsContact C-N 3.35Å; V226-E228 PolarHBondContact O-N 2.84Å; V226-V229 PolarHBondContact O-N 3.44Å; V226-K230 HydrophobicContact CG1-CD 4.27Å; V226-K230 WeakPolarHBondContact O-CG 3.3Å; V226-K230 PolarHBondContact O-N 3.13Å
227K95.6Very high94.5Very high159 Ų15969.5 Ų69.569%0.69135%0.351SS*.Hα-helixtrans-64.1-38.9177.4-71.6173.3-176.1178.30112.5D223 K224 W225 G231D223-K227 WeakPolarHBondContact O-CG 3.22Å; D223-K227 PolarHBondContact O-N 3.44Å; K224-K227 WeakPolarHBondContact O-CB 3.26Å; K224-K227 PolarHBondContact O-N 3.09Å; W225-K227 VanDerWaalsContact C-N 3.3Å; W225-K227 PolarHBondContact O-N 2.98Å; K227-G231 PolarHBondContact O-N 3Å
228E95.6Very high94.3Very high103 Ų10371 Ų7148%0.48136%0.358SS..Hα-helixtrans-65.1-43.3176.6-69.8174.5-178.100111.5K224 W225 V226 G231K224-E228 WeakPolarHBondContact CE-OE1 3.49Å; K224-E228 IonicContact NZ-OE1 3.21Å; K224-E228 WeakPolarHBondContact O-CG 3.33Å; K224-E228 PolarHBondContact O-N 2.9Å; W225-E228 WeakPolarHBondContact O-CB 3.47Å; W225-E228 PolarHBondContact O-N 2.9Å; W225-E228 VanDerWaalsContact O-N 3.09Å; V226-E228 VanDerWaalsContact C-N 3.35Å; V226-E228 PolarHBondContact O-N 2.84Å; E228-G231 PolarHBondContact O-N 3.02Å
229V94.9Very high94.2Very high0 Ų070.2 Ų70.20%035%0.351CS..Hα-helixtrans-66.9-39.9178.4178.60000111.7I139 W225 V226 G231 K232 E254 F255I139-V229 HydrophobicContact CB-CG1 3.74Å; I139-V229 HydrophobicContact CD1-CB 4.4Å; I139-V229 HydrophobicContact CD1-CG1 4.32Å; I139-V229 HydrophobicContact CG2-CB 4.19Å; I139-V229 HydrophobicContact CG2-CG1 3.7Å; W225-V229 HydrophobicContact CD2-CG2 4.18Å; W225-V229 HydrophobicContact CG-CG2 4.41Å; W225-V229 HydrophobicContact CZ2-CG2 3.92Å; W225-V229 WeakPolarHBondContact O-CG2 3.42Å; W225-V229 PolarHBondContact O-N 3.26Å; V226-V229 PolarHBondContact O-N 3.44Å; V229-G231 PolarHBondContact O-N 2.71Å; V229-K232 VanDerWaalsContact O-CB 3.27Å; V229-K232 WeakPolarHBondContact O-CB 3.47Å; V229-K232 PolarHBondContact O-N 3.27Å; V229-E254 HydrophobicContact CG1-CB 4.06Å; V229-E254 HydrophobicContact CG2-CB 4.16Å; V229-E254 HydrophobicContact CG2-CG 4.4Å; V229-F255 WeakPolarHBondContact CG1-O 3.34Å
230K92.6Very high94.2Very high90 Ų9066.4 Ų66.439%0.39133%0.333SS..Hα-helixtrans-59.7-25.9174.7-77-175.5175-166.60113.5E137 I139 V226 K232 N256E137-K230 WeakPolarHBondContact O-CE 3.08Å; E137-K230 PolarHBondContact O-NZ 3.01Å; E137-K230 VanDerWaalsContact O-NZ 3.16Å; I139-K230 HydrophobicContact CG2-CG 3.85Å; V226-K230 HydrophobicContact CG1-CD 4.27Å; V226-K230 WeakPolarHBondContact O-CG 3.3Å; V226-K230 PolarHBondContact O-N 3.13Å; K230-K232 VanDerWaalsContact C-N 3.28Å; K230-K232 PolarHBondContact O-N 2.75Å; K230-N256 PolarHBondContact O-ND2 2.86Å
231G92.2Very high94.1Very high70 Ų7058.2 Ų58.272%0.72230%0.298SS*.THydrogen-bonded Turntrans-79-4.2174.400000114.8K227 E228 V229K227-G231 PolarHBondContact O-N 3Å; E228-G231 PolarHBondContact O-N 3.02Å; V229-G231 PolarHBondContact O-N 2.71Å
232K93.6Very high93.9Very high97 Ų9757 Ų5742%0.42229%0.288SS..SBendtrans-86.1177.8-179.4-63.7-172.7172.3-170.40112.2V229 K230 T234 E254V229-K232 VanDerWaalsContact O-CB 3.27Å; V229-K232 WeakPolarHBondContact O-CB 3.47Å; V229-K232 PolarHBondContact O-N 3.27Å; K230-K232 VanDerWaalsContact C-N 3.28Å; K230-K232 PolarHBondContact O-N 2.75Å; K232-T234 PolarHBondContact O-N 3.18Å; K232-E254 HydrophobicContact CD-CB 3.75Å; K232-E254 WeakPolarHBondContact CE-OE2 3.3Å; K232-E254 IonicContact NZ-OE2 3.89Å; K232-E254 PolarHBondContact NZ-OE2 3.31Å
233K92.6Very high93.8Very high120 Ų12058.3 Ų58.352%0.52229%0.294SS..  trans-55.6133.2178-170.2-167170.3-165.80110.2D236 T239 N256K233-D236 VanDerWaalsContact CE-OD2 3.28Å; K233-D236 WeakPolarHBondContact CE-OD2 3.41Å; K233-D236 IonicContact NZ-OD2 3.84Å; K233-D236 PolarHBondContact NZ-OD2 3.34Å; K233-T239 PolarHBondContact NZ-OG1 3.14Å; K233-N256 PolarHBondContact O-N 3.11Å
234T93Very high93.7Very high75 Ų7554.7 Ų54.746%0.4628%0.275SS..BIsolated β-bridgetrans-65.6133.8170-510000110.6K232 D236 N256K232-T234 PolarHBondContact O-N 3.18Å; T234-D236 PolarHBondContact O-N 3.15Å; T234-D236 VanDerWaalsContact O-N 3.16Å; T234-N256 CarbonylContact C-O 3.41Å; T234-N256 WeakPolarHBondContact CA-O 3.36Å
235L92.7Very high93.5Very high3 Ų348.7 Ų48.72%0.01625%0.249CC..  trans-64.9112.3174.7-173.365.9000108.9E140 T239 F240 F255 N256 H259 F262E140-L235 HydrophobicContact CB-CD2 4.46Å; E140-L235 WeakPolarHBondContact OE1-CD2 3.48Å; L235-T239 HydrophobicContact CD1-CG2 4.4Å; L235-F240 HydrophobicContact CD1-CB 4.08Å; L235-F240 HydrophobicContact CD2-CB 4.42Å; L235-F240 HydrophobicContact CD2-CD2 4.24Å; L235-F240 HydrophobicContact CG-CB 4.29Å; L235-F255 HydrophobicContact CB-CB 3.92Å; L235-F255 HydrophobicContact CB-CG 4.35Å; L235-F255 HydrophobicContact CD1-CB 4.33Å; L235-F255 HydrophobicContact CD1-CD1 4.19Å; L235-F255 HydrophobicContact CD1-CD2 3.93Å; L235-F255 HydrophobicContact CD1-CE1 4.49Å; L235-F255 HydrophobicContact CD1-CE2 4.24Å; L235-F255 HydrophobicContact CD1-CG 3.9Å; L235-N256 PolarHBondContact N-O 3.36Å; L235-H259 HydrophobicContact CD2-CB 4.37Å; L235-F262 HydrophobicContact CD2-CE2 4.36Å; L235-F262 HydrophobicContact CG-CE2 4.24Å; L235-F262 WeakPolarHBondContact O-CZ 3.38Å
236D92.5Very high93.1Very high57 Ų5747.9 Ų47.931%0.30525%0.247SC..  trans-93.6153.9168.360.750.9000109.7K233 T234 D238 T239 F240K233-D236 VanDerWaalsContact CE-OD2 3.28Å; K233-D236 WeakPolarHBondContact CE-OD2 3.41Å; K233-D236 IonicContact NZ-OD2 3.84Å; K233-D236 PolarHBondContact NZ-OD2 3.34Å; T234-D236 PolarHBondContact O-N 3.15Å; T234-D236 VanDerWaalsContact O-N 3.16Å; D236-D238 PolarHBondContact O-N 2.96Å; D236-D238 PolarHBondContact OD1-N 3.49Å; D236-T239 PolarHBondContact O-N 3Å; D236-T239 WeakPolarHBondContact OD1-CA 3.44Å; D236-T239 WeakPolarHBondContact OD1-CB 3.37Å; D236-T239 PolarHBondContact OD1-N 3.35Å; D236-T239 PolarHBondContact OD1-OG1 3.02Å; D236-T239 PolarHBondContact OD2-OG1 3.36Å; D236-F240 PolarHBondContact O-N 3.15Å
237Q91.9Very high92.6Very high29 Ų2948.9 Ų48.914%0.13626%0.255CS..Hα-helixtrans-61.4-30.3-177.1-169.5170.3-5.100112.1F240 D241 F262 Y271 A306 R307Q237-F240 PolarHBondContact O-N 3.12Å; Q237-D241 WeakPolarHBondContact O-CB 3.48Å; Q237-D241 PolarHBondContact O-N 3.23Å; Q237-F262 HydrophobicContact CB-CD1 3.85Å; Q237-F262 HydrophobicContact CB-CD2 4.14Å; Q237-F262 HydrophobicContact CB-CE1 3.99Å; Q237-F262 HydrophobicContact CB-CE2 4.26Å; Q237-F262 HydrophobicContact CB-CG 3.94Å; Q237-F262 HydrophobicContact CB-CZ 4.2Å; Q237-F262 HydrophobicContact CG-CB 4.05Å; Q237-F262 HydrophobicContact CG-CD1 4.13Å; Q237-F262 HydrophobicContact CG-CD2 4.29Å; Q237-F262 HydrophobicContact CG-CG 3.89Å; Q237-Y271 PolarHBondContact NE2-OH 3.08Å; Q237-Y271 VanDerWaalsContact NE2-OH 3.08Å; Q237-A306 HydrophobicContact CG-CB 4.32Å; Q237-R307 PolarHBondContact NE2-O 3.49Å
238D92.9Very high92.1Very high66 Ų6641.8 Ų41.835%0.35322%0.224SC..Hα-helixtrans-69-42.6179.7-62.39.8000111.4D236 K242 R278 F279D236-D238 PolarHBondContact O-N 2.96Å; D236-D238 PolarHBondContact OD1-N 3.49Å; D238-K242 WeakPolarHBondContact O-CB 3.38Å; D238-K242 PolarHBondContact O-N 3.11Å; D238-R278 IonicContact OD1-CZ 3.11Å; D238-R278 IonicContact OD1-NH1 3.78Å; D238-R278 PolarHBondContact OD1-NH1 2.75Å; D238-R278 IonicContact OD1-NH2 3.8Å; D238-R278 PolarHBondContact OD1-NH2 3.19Å; D238-R278 IonicContact OD2-NH2 3.9Å; D238-F279 WeakPolarHBondContact O-CZ 3.42Å
239T92.7Very high91.6Very high26 Ų2640.6 Ų40.616%0.1623%0.226CC..Hα-helixtrans-65.2-45.5175.3-60.50000109.2K233 L235 D236 K242 Q243 F255K233-T239 PolarHBondContact NZ-OG1 3.14Å; L235-T239 HydrophobicContact CD1-CG2 4.4Å; D236-T239 PolarHBondContact O-N 3Å; D236-T239 WeakPolarHBondContact OD1-CA 3.44Å; D236-T239 WeakPolarHBondContact OD1-CB 3.37Å; D236-T239 PolarHBondContact OD1-N 3.35Å; D236-T239 PolarHBondContact OD1-OG1 3.02Å; D236-T239 PolarHBondContact OD2-OG1 3.36Å; T239-K242 PolarHBondContact O-N 3.38Å; T239-Q243 WeakPolarHBondContact O-CG 3.49Å; T239-Q243 PolarHBondContact O-N 2.84Å; T239-F255 HydrophobicContact CG2-CE1 3.85Å; T239-F255 HydrophobicContact CG2-CZ 3.85Å
240F93.3Very high91.2Very high1 Ų142.7 Ų42.70%0.00424%0.237CC..Hα-helixtrans-58.3-54.9177.3-179.8-108.1000111.6F131 M160 L235 D236 Q237 K242 Q243 L244 H259 V263 Y271F131-F240 HydrophobicContact CD1-CE2 4.13Å; F131-F240 HydrophobicContact CE1-CE2 4.34Å; M160-F240 HydrophobicContact CE-CE1 3.8Å; M160-F240 HydrophobicContact CE-CZ 3.48Å; M160-F240 VanDerWaalsContact CE-CZ 3.48Å; M160-F240 HydrophobicContact SD-CE1 4.46Å; M160-F240 HydrophobicContact SD-CZ 4.09Å; L235-F240 HydrophobicContact CD1-CB 4.08Å; L235-F240 HydrophobicContact CD2-CB 4.42Å; L235-F240 HydrophobicContact CD2-CD2 4.24Å; L235-F240 HydrophobicContact CG-CB 4.29Å; D236-F240 PolarHBondContact O-N 3.15Å; Q237-F240 PolarHBondContact O-N 3.12Å; F240-K242 VanDerWaalsContact C-N 3.26Å; F240-K242 PolarHBondContact O-N 2.9Å; F240-Q243 WeakPolarHBondContact O-CA 3.07Å; F240-Q243 WeakPolarHBondContact O-CB 3.34Å; F240-Q243 PolarHBondContact O-N 3.24Å; F240-L244 HydrophobicContact CD1-CD1 4.33Å; F240-L244 HydrophobicContact CE1-CD1 3.83Å; F240-L244 HydrophobicContact CE1-CD2 4.17Å; F240-L244 HydrophobicContact CE1-CG 4.2Å; F240-L244 HydrophobicContact CE2-CD2 4.14Å; F240-L244 HydrophobicContact CZ-CD1 4.27Å; F240-L244 HydrophobicContact CZ-CD2 3.76Å; F240-L244 HydrophobicContact CZ-CG 4.28Å; F240-L244 PolarHBondContact O-N 2.95Å; F240-L244 VanDerWaalsContact O-N 3.15Å; F240-H259 HydrophobicContact CD1-CB 4.27Å; F240-H259 HydrophobicContact CD2-CB 3.62Å; F240-H259 HydrophobicContact CE1-CB 3.93Å; F240-H259 HydrophobicContact CE2-CB 3.24Å; F240-H259 AromaticContact CE2-CG 3.85Å; F240-H259 HydrophobicContact CG-CB 4.13Å; F240-H259 HydrophobicContact CZ-CB 3.4Å; F240-H259 AromaticContact CZ-CG 3.86Å; F240-V263 HydrophobicContact CE1-CG1 3.76Å; F240-V263 HydrophobicContact CZ-CG1 4.35Å; F240-Y271 HydrophobicContact CD1-CE1 4.41Å; F240-Y271 HydrophobicContact CE1-CE1 4.05Å
241D93.8Very high91.1Very high0 Ų044.8 Ų44.80%025%0.246CC..Hα-helixtrans-59.6-36.7-179.9-69.3-7000112Q237 L244 Y271 A275 R278 F279Q237-D241 WeakPolarHBondContact O-CB 3.48Å; Q237-D241 PolarHBondContact O-N 3.23Å; D241-L244 WeakPolarHBondContact O-CB 3.45Å; D241-L244 PolarHBondContact O-N 3.01Å; D241-Y271 VanDerWaalsContact OD1-CE1 3.26Å; D241-Y271 WeakPolarHBondContact OD1-CE1 3.33Å; D241-Y271 VanDerWaalsContact OD1-CZ 3.3Å; D241-Y271 PolarHBondContact OD1-OH 2.92Å; D241-A275 HydrophobicContact CB-CB 4.18Å; D241-R278 VanDerWaalsContact OD2-CD 3.25Å; D241-R278 WeakPolarHBondContact OD2-CD 3.3Å; D241-R278 IonicContact OD2-CZ 3.97Å; D241-R278 IonicContact OD2-NE 2.74Å; D241-R278 IonicContact OD2-NH1 2.92Å; D241-R278 PolarHBondContact OD2-NH1 3.05Å; D241-F279 HydrophobicContact CB-CD2 4.45Å; D241-F279 HydrophobicContact CB-CE2 3.65Å
242K92.7Very high91.2Very high61 Ų6144.7 Ų44.727%0.26524%0.238SC..Hα-helixtrans-64.4-41.3174.2-168.6168.2-173.5165.60111.3D238 T239 F240 L244 L245 T248 F279 D300D238-K242 WeakPolarHBondContact O-CB 3.38Å; D238-K242 PolarHBondContact O-N 3.11Å; T239-K242 PolarHBondContact O-N 3.38Å; F240-K242 VanDerWaalsContact C-N 3.26Å; F240-K242 PolarHBondContact O-N 2.9Å; K242-L244 PolarHBondContact O-N 2.89Å; K242-L245 WeakPolarHBondContact O-CB 2.96Å; K242-L245 WeakPolarHBondContact O-CG 3.19Å; K242-L245 PolarHBondContact O-N 2.83Å; K242-T248 HydrophobicContact CG-CG2 4.25Å; K242-T248 WeakPolarHBondContact O-CG2 3.41Å; K242-F279 HydrophobicContact CB-CE1 3.95Å; K242-F279 HydrophobicContact CB-CE2 3.96Å; K242-F279 HydrophobicContact CB-CZ 3.59Å; K242-F279 HydrophobicContact CD-CE1 4.11Å; K242-F279 HydrophobicContact CG-CD1 4.48Å; K242-F279 HydrophobicContact CG-CE1 4.09Å; K242-F279 HydrophobicContact CG-CZ 4.25Å; K242-F279 VanDerWaalsContact N-CE2 3.34Å; K242-D300 PolarHBondContact NZ-O 3.49Å; K242-D300 IonicContact NZ-OD1 2.72Å; K242-D300 PolarHBondContact NZ-OD1 2.89Å
243Q93Very high91.2Very high28 Ų2842.5 Ų42.513%0.13123%0.231CC..Hα-helixtrans-66.3-25.5178.1-67.9-50.4-53.700112.7K129 F131 T239 F240 L245 T248 L253K129-Q243 WeakPolarHBondContact CE-O 3.45Å; K129-Q243 PolarHBondContact NZ-O 3.15Å; F131-Q243 HydrophobicContact CE1-CB 3.67Å; F131-Q243 HydrophobicContact CZ-CB 3.83Å; T239-Q243 WeakPolarHBondContact O-CG 3.49Å; T239-Q243 PolarHBondContact O-N 2.84Å; F240-Q243 WeakPolarHBondContact O-CA 3.07Å; F240-Q243 WeakPolarHBondContact O-CB 3.34Å; F240-Q243 PolarHBondContact O-N 3.24Å; Q243-L245 PolarHBondContact O-N 3.36Å; Q243-T248 PolarHBondContact O-OG1 3.15Å; Q243-L253 HydrophobicContact CG-CD1 4.41Å
244L93Very high91.4Very high0 Ų038.7 Ų38.70%022%0.215CC..THydrogen-bonded Turntrans-64.4-20.6175.7-60.9-177.8000113.1A126 G127 F131 M160 F240 D241 K242 Y271 I272 A275A126-L244 HydrophobicContact CB-CD2 3.54Å; G127-L244 WeakPolarHBondContact CA-O 3.32Å; F131-L244 HydrophobicContact CE2-CD2 4.06Å; F131-L244 HydrophobicContact CZ-CD2 4.04Å; M160-L244 HydrophobicContact SD-CD1 3.78Å; M160-L244 HydrophobicContact SD-CD2 3.45Å; M160-L244 WeakPolarHBondContact SD-CD2 3.46Å; M160-L244 HydrophobicContact SD-CG 4.28Å; F240-L244 HydrophobicContact CD1-CD1 4.33Å; F240-L244 HydrophobicContact CE1-CD1 3.83Å; F240-L244 HydrophobicContact CE1-CD2 4.17Å; F240-L244 HydrophobicContact CE1-CG 4.2Å; F240-L244 HydrophobicContact CE2-CD2 4.14Å; F240-L244 HydrophobicContact CZ-CD1 4.27Å; F240-L244 HydrophobicContact CZ-CD2 3.76Å; F240-L244 HydrophobicContact CZ-CG 4.28Å; F240-L244 PolarHBondContact O-N 2.95Å; F240-L244 VanDerWaalsContact O-N 3.15Å; D241-L244 WeakPolarHBondContact O-CB 3.45Å; D241-L244 PolarHBondContact O-N 3.01Å; K242-L244 PolarHBondContact O-N 2.89Å; L244-Y271 HydrophobicContact CD1-CD1 3.95Å; L244-Y271 HydrophobicContact CD1-CE1 3.8Å; L244-I272 HydrophobicContact CB-CD1 3.82Å; L244-I272 HydrophobicContact CD1-CD1 4.24Å; L244-A275 HydrophobicContact CB-CB 4.39Å; L244-A275 HydrophobicContact CD1-CB 3.85Å
245L91.8Very high91.5Very high0 Ų036 Ų360%020%0.197CC..SBendtrans-69.5136.5-179.4-54177.7000111.7K129 K242 Q243 S247 T248 Y276 F279 F281 V298K129-L245 PolarHBondContact NZ-O 2.82Å; K242-L245 WeakPolarHBondContact O-CB 2.96Å; K242-L245 WeakPolarHBondContact O-CG 3.19Å; K242-L245 PolarHBondContact O-N 2.83Å; Q243-L245 PolarHBondContact O-N 3.36Å; L245-S247 WeakPolarHBondContact CB-OG 3.01Å; L245-S247 PolarHBondContact O-N 2.97Å; L245-T248 PolarHBondContact O-N 3.43Å; L245-T248 PolarHBondContact O-OG1 3.37Å; L245-Y276 HydrophobicContact CD2-CD1 3.57Å; L245-Y276 HydrophobicContact CD2-CE1 4.03Å; L245-F279 HydrophobicContact CD1-CB 3.55Å; L245-F279 HydrophobicContact CD1-CD2 4.13Å; L245-F279 HydrophobicContact CD1-CG 3.82Å; L245-F279 HydrophobicContact CD2-CB 4.4Å; L245-F281 HydrophobicContact CD2-CB 3.75Å; L245-F281 HydrophobicContact CD2-CD1 4.18Å; L245-F281 HydrophobicContact CD2-CG 4.08Å; L245-V298 HydrophobicContact CD1-CG1 3.8Å
246P89.3Confident91.5Very high8 Ų838 Ų385%0.05221%0.207CC..THydrogen-bonded Turntrans-56.4-27.2171-29.337.2000114.9Y128 T248 F281 F295Y128-P246 HydrophobicContact CD2-CB 3.88Å; Y128-P246 HydrophobicContact CD2-CG 4.43Å; Y128-P246 HydrophobicContact CE2-CB 3.82Å; Y128-P246 HydrophobicContact CE2-CG 4.22Å; P246-T248 VanDerWaalsContact C-N 3.25Å; P246-T248 PolarHBondContact O-N 3.19Å; P246-F281 HydrophobicContact CB-CZ 4.25Å; P246-F281 HydrophobicContact CG-CE1 3.89Å; P246-F281 HydrophobicContact CG-CZ 3.78Å; P246-F295 HydrophobicContact CB-CE1 4.3Å
247S84.4Confident91.5Very high34 Ų3435.3 Ų35.324%0.23819%0.193CC..THydrogen-bonded Turntrans-64.8-26.2-17962.10000113.6L245L245-S247 WeakPolarHBondContact CB-OG 3.01Å; L245-S247 PolarHBondContact O-N 2.97Å
248T85.7Confident91.5Very high9 Ų933.9 Ų33.96%0.05519%0.187CC..SBendtrans-70.9139.7-175.652.10000111.5K129 R209 K242 Q243 L245 P246K129-T248 WeakPolarHBondContact CE-OG1 3.47Å; K129-T248 PolarHBondContact NZ-OG1 3.05Å; R209-T248 PolarHBondContact NH2-O 3Å; K242-T248 HydrophobicContact CG-CG2 4.25Å; K242-T248 WeakPolarHBondContact O-CG2 3.41Å; Q243-T248 PolarHBondContact O-OG1 3.15Å; L245-T248 PolarHBondContact O-N 3.43Å; L245-T248 PolarHBondContact O-OG1 3.37Å; P246-T248 VanDerWaalsContact C-N 3.25Å; P246-T248 PolarHBondContact O-N 3.19Å
249P85.2Confident91.5Very high78 Ų7830.8 Ų30.851%0.50617%0.17SC..  trans-60.1140.7179.3-25.334.5000112.9K251P249-K251 HydrophobicContact CB-CD 4.25Å; P249-K251 HydrophobicContact CB-CG 4.07Å; P249-K251 PolarHBondContact O-N 3.42Å
250N85.6Confident91.3Very high44 Ų4429.8 Ų29.824%0.23516%0.164CC..  trans-74.570.7173.1-77.59.8000111.1Y128 K129 R209Y128-N250 PolarHBondContact O-ND2 3.36Å; K129-N250 WeakPolarHBondContact CD-OD1 3.32Å; K129-N250 WeakPolarHBondContact CG-OD1 3.4Å; R209-N250 VanDerWaalsContact C-ND2 3.34Å; R209-N250 WeakPolarHBondContact CB-ND2 3.25Å; R209-N250 WeakPolarHBondContact CG-ND2 3.13Å; R209-N250 PolarHBondContact NE-ND2 2.84Å; R209-N250 PolarHBondContact NE-OD1 3.38Å; R209-N250 PolarHBondContact NH2-OD1 2.79Å; R209-N250 PolarHBondContact O-ND2 3.4Å
251K91.7Very high91.2Very high135 Ų13530.9 Ų30.959%0.58717%0.173SC*.  trans-100.5155.9175.3-69.9-179.1-179.8-179.60110.6N143 P249N143-K251 PolarHBondContact ND2-O 2.88Å; P249-K251 HydrophobicContact CB-CD 4.25Å; P249-K251 HydrophobicContact CB-CG 4.07Å; P249-K251 PolarHBondContact O-N 3.42Å
252A93.8Very high91Very high67 Ų6732.5 Ų32.555%0.55418%0.18SC*.  trans-76121.8167.200000108.7V142 T144V142-A252 VanDerWaalsContact O-CA 3.27Å; V142-A252 WeakPolarHBondContact O-CA 3.27Å; T144-A252 HydrophobicContact CG2-CB 4.19Å
253L94.5Very high90.9Very high51 Ų5129.7 Ų29.727%0.26717%0.168SC..EExtended strand (participates in β ladder)trans-126.5152.4177.3-57.8172.4000109.1T141 V142 Q243 F255T141-L253 CarbonylContact C-O 3.46Å; T141-L253 VanDerWaalsContact CA-O 3.28Å; T141-L253 WeakPolarHBondContact CA-O 3.49Å; V142-L253 HydrophobicContact CB-CB 4.02Å; V142-L253 HydrophobicContact CG2-CB 4.1Å; V142-L253 PolarHBondContact N-O 3.04Å; V142-L253 PolarHBondContact O-N 3.22Å; Q243-L253 HydrophobicContact CG-CD1 4.41Å; L253-F255 HydrophobicContact CB-CD2 4.48Å; L253-F255 HydrophobicContact CB-CE2 3.69Å; L253-F255 HydrophobicContact CB-CZ 3.98Å; L253-F255 HydrophobicContact CD1-CE2 4.2Å; L253-F255 HydrophobicContact CD1-CZ 4.02Å
254E95.9Very high90.9Very high41 Ų4128.7 Ų28.719%0.19216%0.164CC..EExtended strand (participates in β ladder)trans-139.5130.2-179.2-58.6-176.9153.800108T141 T144 W225 V229 K232T141-E254 HydrophobicContact CG2-CB 4.18Å; T141-E254 HydrophobicContact CG2-CG 3.79Å; T144-E254 HydrophobicContact CG2-CG 4.29Å; W225-E254 PolarHBondContact NE1-OE1 2.96Å; V229-E254 HydrophobicContact CG1-CB 4.06Å; V229-E254 HydrophobicContact CG2-CB 4.16Å; V229-E254 HydrophobicContact CG2-CG 4.4Å; K232-E254 HydrophobicContact CD-CB 3.75Å; K232-E254 WeakPolarHBondContact CE-OE2 3.3Å; K232-E254 IonicContact NZ-OE2 3.89Å; K232-E254 PolarHBondContact NZ-OE2 3.31Å
255F94.9Very high90.8Very high18 Ų1828.8 Ų28.88%0.07916%0.164CC..EExtended strand (participates in β ladder)trans-131148.3-174.8-59.7-76.6000110.8E140 V142 V229 L235 T239 L253E140-F255 PolarHBondContact N-O 3.26Å; E140-F255 PolarHBondContact O-N 3.28Å; V142-F255 HydrophobicContact CG2-CD2 4.49Å; V142-F255 HydrophobicContact CG2-CE2 4Å; V229-F255 WeakPolarHBondContact CG1-O 3.34Å; L235-F255 HydrophobicContact CB-CB 3.92Å; L235-F255 HydrophobicContact CB-CG 4.35Å; L235-F255 HydrophobicContact CD1-CB 4.33Å; L235-F255 HydrophobicContact CD1-CD1 4.19Å; L235-F255 HydrophobicContact CD1-CD2 3.93Å; L235-F255 HydrophobicContact CD1-CE1 4.49Å; L235-F255 HydrophobicContact CD1-CE2 4.24Å; L235-F255 HydrophobicContact CD1-CG 3.9Å; T239-F255 HydrophobicContact CG2-CE1 3.85Å; T239-F255 HydrophobicContact CG2-CZ 3.85Å; L253-F255 HydrophobicContact CB-CD2 4.48Å; L253-F255 HydrophobicContact CB-CE2 3.69Å; L253-F255 HydrophobicContact CB-CZ 3.98Å; L253-F255 HydrophobicContact CD1-CE2 4.2Å; L253-F255 HydrophobicContact CD1-CZ 4.02Å
256N93.4Very high90.8Very high44 Ų4428.8 Ų28.824%0.23516%0.164CC..EExtended strand (participates in β ladder)trans-84135165.3-17520000108.8H138 K230 K233 T234 L235H138-N256 PolarHBondContact O-OD1 3.35Å; K230-N256 PolarHBondContact O-ND2 2.86Å; K233-N256 PolarHBondContact O-N 3.11Å; T234-N256 CarbonylContact C-O 3.41Å; T234-N256 WeakPolarHBondContact CA-O 3.36Å; L235-N256 PolarHBondContact N-O 3.36Å
257G92.2Very high90.9Very high1 Ų128.4 Ų28.41%0.0116%0.162CC..SBendtrans88.2170.4-169.400000113.8H138 I139 E140 N328H138-G257 WeakPolarHBondContact O-CA 3.49Å; H138-G257 PolarHBondContact O-N 2.75Å; I139-G257 CarbonylContact C-O 3.45Å; E140-G257 VanDerWaalsContact CB-O 3.32Å; E140-G257 WeakPolarHBondContact CB-O 3.3Å; E140-G257 PolarHBondContact N-O 3.41Å; G257-N328 VanDerWaalsContact CA-OD1 3.29Å; G257-N328 WeakPolarHBondContact CA-OD1 3.48Å
258T92.3Very high91.3Very high0 Ų027 Ų270%015%0.151CC..  trans-132.4150.8-172.768.80000111.6A133 M260 A261 N328A133-T258 HydrophobicContact CB-CG2 4.21Å; T258-M260 HydrophobicContact CG2-CE 4.03Å; T258-M260 PolarHBondContact O-N 3.27Å; T258-A261 PolarHBondContact O-N 3.09Å; T258-N328 PolarHBondContact N-OD1 3.36Å; T258-N328 PolarHBondContact O-OD1 3.32Å
259H92.2Very high91.5Very high0 Ų028 Ų280%016%0.158CC..G310 helixtrans-63-19.5174.870.7-88.5000113.5E140 L235 F240 A261 F262 V263E140-H259 WeakPolarHBondContact OE2-CB 3.46Å; E140-H259 IonicContact OE2-CE1 2.62Å; E140-H259 IonicContact OE2-CG 2.58Å; E140-H259 PolarHBondContact OE2-N 3.47Å; E140-H259 IonicContact OE2-ND1 2.99Å; E140-H259 PolarHBondContact OE2-ND1 3.34Å; L235-H259 HydrophobicContact CD2-CB 4.37Å; F240-H259 HydrophobicContact CD1-CB 4.27Å; F240-H259 HydrophobicContact CD2-CB 3.62Å; F240-H259 HydrophobicContact CE1-CB 3.93Å; F240-H259 HydrophobicContact CE2-CB 3.24Å; F240-H259 AromaticContact CE2-CG 3.85Å; F240-H259 HydrophobicContact CG-CB 4.13Å; F240-H259 HydrophobicContact CZ-CB 3.4Å; F240-H259 AromaticContact CZ-CG 3.86Å; H259-A261 PolarHBondContact O-N 3.35Å; H259-A261 VanDerWaalsContact O-N 3.08Å; H259-F262 PolarHBondContact O-N 3.22Å; H259-V263 PolarHBondContact O-N 2.54Å; H259-V263 VanDerWaalsContact O-N 3.08Å
260M89.9Confident91.8Very high5 Ų529.3 Ų29.33%0.02516%0.158CC..G310 helixtrans-60-16.4176.1-68.2178.9-76.500112.7Y122 A133 P135 T258 F262 I325 L326Y122-M260 HydrophobicContact CD1-SD 4.22Å; Y122-M260 HydrophobicContact CD2-CE 4.13Å; Y122-M260 HydrophobicContact CD2-SD 3.69Å; Y122-M260 HydrophobicContact CE1-SD 4.33Å; Y122-M260 HydrophobicContact CE2-SD 3.83Å; Y122-M260 HydrophobicContact CG-SD 3.9Å; A133-M260 HydrophobicContact CB-CE 3.76Å; P135-M260 HydrophobicContact CB-CE 3.66Å; P135-M260 HydrophobicContact CG-CE 4.29Å; T258-M260 HydrophobicContact CG2-CE 4.03Å; T258-M260 PolarHBondContact O-N 3.27Å; M260-F262 VanDerWaalsContact C-N 3.26Å; M260-F262 PolarHBondContact O-N 2.84Å; M260-I325 VanDerWaalsContact O-CA 3.28Å; M260-I325 WeakPolarHBondContact O-CA 3.43Å; M260-I325 WeakPolarHBondContact O-CD1 3.36Å; M260-I325 WeakPolarHBondContact O-CG2 3.12Å; M260-L326 CarbonylContact C-O 3.46Å; M260-L326 HydrophobicContact CB-CB 4.16Å; M260-L326 PolarHBondContact O-N 3.24Å
261A89.4Confident92.2Very high25 Ų2527.3 Ų27.321%0.20715%0.147CC..G310 helixtrans-70.8-21.9171.400000113.1T258 H259 L326T258-A261 PolarHBondContact O-N 3.09Å; H259-A261 PolarHBondContact O-N 3.35Å; H259-A261 VanDerWaalsContact O-N 3.08Å; A261-L326 WeakPolarHBondContact CA-O 3.24Å; A261-L326 WeakPolarHBondContact CB-O 3.28Å; A261-L326 PolarHBondContact N-O 2.94Å
262F90.4Very high92.2Very high33 Ų3321.1 Ų21.115%0.14512%0.12CC..THydrogen-bonded Turntrans-112.5-38.9-172-47.4-53.6000112.7L235 Q237 H259 M260L235-F262 HydrophobicContact CD2-CE2 4.36Å; L235-F262 HydrophobicContact CG-CE2 4.24Å; L235-F262 WeakPolarHBondContact O-CZ 3.38Å; Q237-F262 HydrophobicContact CB-CD1 3.85Å; Q237-F262 HydrophobicContact CB-CD2 4.14Å; Q237-F262 HydrophobicContact CB-CE1 3.99Å; Q237-F262 HydrophobicContact CB-CE2 4.26Å; Q237-F262 HydrophobicContact CB-CG 3.94Å; Q237-F262 HydrophobicContact CB-CZ 4.2Å; Q237-F262 HydrophobicContact CG-CB 4.05Å; Q237-F262 HydrophobicContact CG-CD1 4.13Å; Q237-F262 HydrophobicContact CG-CD2 4.29Å; Q237-F262 HydrophobicContact CG-CG 3.89Å; H259-F262 PolarHBondContact O-N 3.22Å; M260-F262 VanDerWaalsContact C-N 3.26Å; M260-F262 PolarHBondContact O-N 2.84Å
263V91.7Very high92.1Very high2 Ų223.7 Ų23.71%0.01212%0.119CC..  trans-150.9141.7-172.961.80000111.8M160 F240 H259 D268 Y271M160-V263 HydrophobicContact CE-CG1 3.57Å; F240-V263 HydrophobicContact CE1-CG1 3.76Å; F240-V263 HydrophobicContact CZ-CG1 4.35Å; H259-V263 PolarHBondContact O-N 2.54Å; H259-V263 VanDerWaalsContact O-N 3.08Å; V263-D268 HydrophobicContact CG2-CB 4.09Å; V263-Y271 HydrophobicContact CB-CD1 4.4Å; V263-Y271 HydrophobicContact CB-CD2 3.9Å; V263-Y271 HydrophobicContact CB-CE1 4.37Å; V263-Y271 HydrophobicContact CB-CE2 3.84Å; V263-Y271 HydrophobicContact CB-CG 4.19Å; V263-Y271 HydrophobicContact CG1-CD1 4.21Å; V263-Y271 HydrophobicContact CG1-CE1 4.05Å; V263-Y271 HydrophobicContact CG1-CE2 4.39Å; V263-Y271 HydrophobicContact CG1-CG 4.49Å; V263-Y271 HydrophobicContact CG2-CD1 4.11Å; V263-Y271 HydrophobicContact CG2-CD2 3.52Å; V263-Y271 HydrophobicContact CG2-CE2 4.02Å; V263-Y271 HydrophobicContact CG2-CG 3.58Å
264D92Very high92Very high7 Ų723.5 Ų23.54%0.03712%0.115CC..  trans-99.9106.4161.6176.4-2.9000108.3Q158 A266 A267 D268 L323 M324 I325Q158-D264 PolarHBondContact NE2-OD1 3.27Å; D264-A266 PolarHBondContact O-N 2.89Å; D264-A266 VanDerWaalsContact O-N 3.12Å; D264-A266 PolarHBondContact OD1-N 3.2Å; D264-A267 HydrophobicContact CB-CB 3.93Å; D264-A267 PolarHBondContact O-N 2.9Å; D264-D268 PolarHBondContact O-N 3.22Å; D264-L323 HydrophobicContact CB-CD2 4.46Å; D264-M324 WeakPolarHBondContact OD2-CB 3.38Å; D264-M324 PolarHBondContact OD2-N 3.12Å; D264-I325 HydrophobicContact CB-CD1 4.44Å
265P91.9Very high91.9Very high2 Ų221.6 Ų21.61%0.01311%0.106CC..THydrogen-bonded Turntrans-56.9-28.9-176.7-22.731.1000113.8V124 Q158 M160V124-P265 HydrophobicContact CG1-CB 4.26Å; V124-P265 HydrophobicContact CG1-CG 3.93Å; V124-P265 HydrophobicContact CG2-CG 4.07Å; Q158-P265 HydrophobicContact CB-CB 4.16Å; Q158-P265 VanDerWaalsContact OE1-CG 3.28Å; M160-P265 HydrophobicContact CE-CB 4.07Å; M160-P265 HydrophobicContact CE-CG 3.55Å; M160-P265 HydrophobicContact CG-CB 3.87Å; M160-P265 HydrophobicContact CG-CG 4.28Å
266A90.4Very high91.8Very high0 Ų021.7 Ų21.70%011%0.106CC..THydrogen-bonded Turntrans-78.7-28.1179.400000112.2G180 T182 D264 N313 Y316G180-A266 CarbonylContact C-O 3.5Å; G180-A266 VanDerWaalsContact CA-O 3.32Å; G180-A266 WeakPolarHBondContact CA-O 3.44Å; T182-A266 WeakPolarHBondContact OG1-CB 2.84Å; D264-A266 PolarHBondContact O-N 2.89Å; D264-A266 VanDerWaalsContact O-N 3.12Å; D264-A266 PolarHBondContact OD1-N 3.2Å; A266-N313 PolarHBondContact O-ND2 3.33Å; A266-Y316 HydrophobicContact CB-CE2 4.29Å; A266-Y316 WeakPolarHBondContact CB-OH 2.9Å; A266-Y316 WeakPolarHBondContact O-CE2 3.41Å
267A91.4Very high91.7Very high0 Ų026.5 Ų26.50%013%0.125CC..THydrogen-bonded Turntrans-87.7-26.8177.500000113.6D264 P269 I311 T312 N313 Y316 L323D264-A267 HydrophobicContact CB-CB 3.93Å; D264-A267 PolarHBondContact O-N 2.9Å; A267-P269 VanDerWaalsContact C-CD 3.49Å; A267-P269 WeakPolarHBondContact O-CD 3.42Å; A267-I311 HydrophobicContact CB-CG1 4.48Å; A267-T312 PolarHBondContact O-N 3.47Å; A267-N313 VanDerWaalsContact O-CB 3.24Å; A267-N313 WeakPolarHBondContact O-CB 3.4Å; A267-N313 PolarHBondContact O-N 3.11Å; A267-Y316 HydrophobicContact CB-CD1 3.6Å; A267-Y316 HydrophobicContact CB-CE1 3.64Å; A267-Y316 HydrophobicContact CB-CG 4.16Å; A267-L323 HydrophobicContact CB-CD2 3.47Å; A267-L323 VanDerWaalsContact CB-CD2 3.47Å
268D92.3Very high91.8Very high4 Ų426.7 Ų26.72%0.02113%0.125CC..  trans-124.270.2-179.4-164.42.1000112.8V263 D264 E270 Y271 R307 T312V263-D268 HydrophobicContact CG2-CB 4.09Å; D264-D268 PolarHBondContact O-N 3.22Å; D268-E270 PolarHBondContact O-N 3.15Å; D268-E270 VanDerWaalsContact O-N 3.14Å; D268-Y271 VanDerWaalsContact O-CB 3.25Å; D268-Y271 WeakPolarHBondContact O-CB 3.25Å; D268-Y271 PolarHBondContact O-N 3.05Å; D268-Y271 VanDerWaalsContact O-N 3.1Å; D268-Y271 PolarHBondContact OD1-N 2.79Å; D268-R307 VanDerWaalsContact CG-NH1 3.34Å; D268-R307 IonicContact OD1-CZ 2.84Å; D268-R307 IonicContact OD1-NH1 3.78Å; D268-R307 PolarHBondContact OD1-NH1 3.45Å; D268-R307 VanDerWaalsContact OD1-NH1 3.11Å; D268-R307 IonicContact OD1-NH2 3.51Å; D268-R307 IonicContact OD2-CZ 3.38Å; D268-R307 IonicContact OD2-NH1 2.88Å; D268-R307 PolarHBondContact OD2-NH1 2.89Å; D268-R307 IonicContact OD2-NH2 2.59Å; D268-T312 VanDerWaalsContact CA-OG1 3.31Å; D268-T312 WeakPolarHBondContact CA-OG1 3.29Å; D268-T312 WeakPolarHBondContact OD1-CB 3.28Å; D268-T312 WeakPolarHBondContact OD1-CG2 3.4Å; D268-T312 PolarHBondContact OD1-OG1 3.31Å
269P91.4Very high91.8Very high30 Ų3026.8 Ų26.820%0.19513%0.126CC..THydrogen-bonded Turntrans-61.3-20.5177.627.3-38000113.3T179 A267 Y271 T312 N313T179-P269 HydrophobicContact CG2-CB 3.62Å; A267-P269 VanDerWaalsContact C-CD 3.49Å; A267-P269 WeakPolarHBondContact O-CD 3.42Å; P269-Y271 VanDerWaalsContact C-N 3.33Å; P269-T312 WeakPolarHBondContact CD-OG1 3.45Å; P269-N313 HydrophobicContact CG-CB 4.08Å
270E91.6Very high91.8Very high107 Ų10730 Ų3050%0.514%0.143SC..THydrogen-bonded Turntrans-83.8-7.9179-62.3-178170.100113.5D268 I272 F273 T312D268-E270 PolarHBondContact O-N 3.15Å; D268-E270 VanDerWaalsContact O-N 3.14Å; E270-I272 PolarHBondContact O-N 3.19Å; E270-I272 VanDerWaalsContact O-N 3.12Å; E270-F273 HydrophobicContact CB-CD2 4.48Å; E270-F273 PolarHBondContact O-N 2.97Å; E270-F273 VanDerWaalsContact O-N 3.08Å; E270-T312 HydrophobicContact CB-CG2 4.33Å
271Y93Very high91.8Very high2 Ų230.5 Ų30.51%0.00815%0.145CC..Hα-helixtrans-54.9-35.4-175.6-170.6-93.3000112.9Q237 F240 D241 L244 V263 D268 P269 F273 Y274 A275Q237-Y271 PolarHBondContact NE2-OH 3.08Å; Q237-Y271 VanDerWaalsContact NE2-OH 3.08Å; F240-Y271 HydrophobicContact CD1-CE1 4.41Å; F240-Y271 HydrophobicContact CE1-CE1 4.05Å; D241-Y271 VanDerWaalsContact OD1-CE1 3.26Å; D241-Y271 WeakPolarHBondContact OD1-CE1 3.33Å; D241-Y271 VanDerWaalsContact OD1-CZ 3.3Å; D241-Y271 PolarHBondContact OD1-OH 2.92Å; L244-Y271 HydrophobicContact CD1-CD1 3.95Å; L244-Y271 HydrophobicContact CD1-CE1 3.8Å; V263-Y271 HydrophobicContact CB-CD1 4.4Å; V263-Y271 HydrophobicContact CB-CD2 3.9Å; V263-Y271 HydrophobicContact CB-CE1 4.37Å; V263-Y271 HydrophobicContact CB-CE2 3.84Å; V263-Y271 HydrophobicContact CB-CG 4.19Å; V263-Y271 HydrophobicContact CG1-CD1 4.21Å; V263-Y271 HydrophobicContact CG1-CE1 4.05Å; V263-Y271 HydrophobicContact CG1-CE2 4.39Å; V263-Y271 HydrophobicContact CG1-CG 4.49Å; V263-Y271 HydrophobicContact CG2-CD1 4.11Å; V263-Y271 HydrophobicContact CG2-CD2 3.52Å; V263-Y271 HydrophobicContact CG2-CE2 4.02Å; V263-Y271 HydrophobicContact CG2-CG 3.58Å; D268-Y271 VanDerWaalsContact O-CB 3.25Å; D268-Y271 WeakPolarHBondContact O-CB 3.25Å; D268-Y271 PolarHBondContact O-N 3.05Å; D268-Y271 VanDerWaalsContact O-N 3.1Å; D268-Y271 PolarHBondContact OD1-N 2.79Å; P269-Y271 VanDerWaalsContact C-N 3.33Å; Y271-F273 VanDerWaalsContact C-N 3.32Å; Y271-F273 PolarHBondContact O-N 3.34Å; Y271-Y274 VanDerWaalsContact O-CB 3.29Å; Y271-Y274 WeakPolarHBondContact O-CB 3.28Å; Y271-Y274 PolarHBondContact O-N 3.21Å; Y271-Y274 VanDerWaalsContact O-N 3.08Å; Y271-A275 PolarHBondContact O-N 2.91Å
272I92.2Very high91.7Very high4 Ų435.8 Ų35.82%0.02117%0.165CC..Hα-helixtrans-60.3-40.1-179.8-166.866.9000112.5M160 D161 L244 E270 Y274 A275 Y276M160-I272 HydrophobicContact CB-CB 4.49Å; M160-I272 HydrophobicContact CB-CD1 4.48Å; M160-I272 WeakPolarHBondContact O-CB 3.45Å; M160-I272 VanDerWaalsContact O-CG2 3.29Å; M160-I272 WeakPolarHBondContact O-CG2 3.48Å; D161-I272 HydrophobicContact CB-CG1 4.16Å; L244-I272 HydrophobicContact CB-CD1 3.82Å; L244-I272 HydrophobicContact CD1-CD1 4.24Å; E270-I272 PolarHBondContact O-N 3.19Å; E270-I272 VanDerWaalsContact O-N 3.12Å; I272-Y274 PolarHBondContact O-N 3.47Å; I272-A275 PolarHBondContact O-N 3.45Å; I272-Y276 HydrophobicContact CD1-CD1 4.36Å; I272-Y276 HydrophobicContact CD1-CE1 3.68Å; I272-Y276 HydrophobicContact CG1-CD1 4.3Å; I272-Y276 HydrophobicContact CG1-CE1 3.73Å; I272-Y276 HydrophobicContact CG1-CE2 4.09Å; I272-Y276 WeakPolarHBondContact O-CD1 3.49Å; I272-Y276 VanDerWaalsContact O-CG 3.28Å; I272-Y276 PolarHBondContact O-N 3.08Å
273F92Very high91.4Very high122 Ų12240 Ų4054%0.53519%0.189SC..Hα-helixtrans-67.9-30.9178.7-60-66.6000111.5E270 Y271 K277E270-F273 HydrophobicContact CB-CD2 4.48Å; E270-F273 PolarHBondContact O-N 2.97Å; E270-F273 VanDerWaalsContact O-N 3.08Å; Y271-F273 VanDerWaalsContact C-N 3.32Å; Y271-F273 PolarHBondContact O-N 3.34Å; F273-K277 WeakPolarHBondContact O-CG 3.36Å; F273-K277 PolarHBondContact O-N 3.39Å; F273-K277 VanDerWaalsContact O-N 3.1Å
274Y92.3Very high91Very high47 Ų4743 Ų4318%0.18420%0.202CC..Hα-helixtrans-66.9-48.1172.7-175.4-97.1000111.3Y271 I272 Y276 K277 R278 I304 P305 R307Y271-Y274 VanDerWaalsContact O-CB 3.29Å; Y271-Y274 WeakPolarHBondContact O-CB 3.28Å; Y271-Y274 PolarHBondContact O-N 3.21Å; Y271-Y274 VanDerWaalsContact O-N 3.08Å; I272-Y274 PolarHBondContact O-N 3.47Å; Y274-Y276 PolarHBondContact O-N 3.44Å; Y274-K277 PolarHBondContact O-N 2.84Å; Y274-R278 WeakPolarHBondContact O-CB 3.23Å; Y274-R278 PolarHBondContact O-N 3.34Å; Y274-I304 HydrophobicContact CE2-CG2 4.25Å; Y274-P305 PolarHBondContact OH-O 3.32Å; Y274-R307 HydrophobicContact CD1-CB 3.84Å; Y274-R307 HydrophobicContact CE1-CB 3.36Å; Y274-R307 HydrophobicContact CE1-CG 4.45Å; Y274-R307 HydrophobicContact CE2-CB 4.2Å; Y274-R307 HydrophobicContact CG-CB 4.41Å
275A92.4Very high90.6Very high0 Ų046.1 Ų46.10%022%0.219CC..Hα-helixtrans-57.6-39.3175.900000111.8D241 L244 Y271 I272 R278 F279D241-A275 HydrophobicContact CB-CB 4.18Å; L244-A275 HydrophobicContact CB-CB 4.39Å; L244-A275 HydrophobicContact CD1-CB 3.85Å; Y271-A275 PolarHBondContact O-N 2.91Å; I272-A275 PolarHBondContact O-N 3.45Å; A275-R278 WeakPolarHBondContact O-CB 3.41Å; A275-R278 PolarHBondContact O-N 2.91Å; A275-F279 PolarHBondContact O-N 3.35Å
276Y92.9Very high89.9Confident20 Ų2049 Ų498%0.07824%0.237CC..Hα-helixtrans-62.2-50.3176-70.3-1.4000112.2L245 I272 Y274 R278 F279 N280 F281 L283L245-Y276 HydrophobicContact CD2-CD1 3.57Å; L245-Y276 HydrophobicContact CD2-CE1 4.03Å; I272-Y276 HydrophobicContact CD1-CD1 4.36Å; I272-Y276 HydrophobicContact CD1-CE1 3.68Å; I272-Y276 HydrophobicContact CG1-CD1 4.3Å; I272-Y276 HydrophobicContact CG1-CE1 3.73Å; I272-Y276 HydrophobicContact CG1-CE2 4.09Å; I272-Y276 WeakPolarHBondContact O-CD1 3.49Å; I272-Y276 VanDerWaalsContact O-CG 3.28Å; I272-Y276 PolarHBondContact O-N 3.08Å; Y274-Y276 PolarHBondContact O-N 3.44Å; Y276-R278 PolarHBondContact O-N 3.26Å; Y276-F279 CarbonylContact O-C 3.44Å; Y276-F279 PolarHBondContact O-N 3.21Å; Y276-N280 PolarHBondContact O-N 3.27Å; Y276-N280 VanDerWaalsContact O-N 3.1Å; Y276-F281 AromaticContact CD1-CD1 3.61Å; Y276-F281 HydrophobicContact CD1-CD1 3.61Å; Y276-F281 HydrophobicContact CD1-CE1 4.27Å; Y276-F281 AromaticContact CD2-CD1 3.82Å; Y276-F281 HydrophobicContact CD2-CD1 3.82Å; Y276-F281 HydrophobicContact CD2-CE1 4.14Å; Y276-F281 AromaticContact CE1-CD1 3.81Å; Y276-F281 HydrophobicContact CE1-CD1 3.81Å; Y276-F281 HydrophobicContact CE1-CE1 4.02Å; Y276-F281 HydrophobicContact CE2-CD1 4.04Å; Y276-F281 AromaticContact CE2-CE1 3.9Å; Y276-F281 HydrophobicContact CE2-CE1 3.9Å; Y276-F281 AromaticContact CG-CD1 3.6Å; Y276-F281 HydrophobicContact CG-CD1 3.6Å; Y276-F281 HydrophobicContact CG-CE1 4.32Å; Y276-F281 AromaticContact CZ-CE1 3.83Å; Y276-F281 PolarHBondContact O-N 3.36Å; Y276-L283 HydrophobicContact CE2-CD1 4.16Å; Y276-L283 HydrophobicContact CE2-CG 4.3Å
277K92.9Very high89.6Confident145 Ų14555.5 Ų55.563%0.6327%0.272SS*.Hα-helixtrans-59.7-37.2175.4-72.9176.1179.9179.20112.1F273 Y274 F279 N280 I304F273-K277 WeakPolarHBondContact O-CG 3.36Å; F273-K277 PolarHBondContact O-N 3.39Å; F273-K277 VanDerWaalsContact O-N 3.1Å; Y274-K277 PolarHBondContact O-N 2.84Å; K277-F279 PolarHBondContact O-N 2.94Å; K277-N280 PolarHBondContact O-N 3.46Å; K277-I304 HydrophobicContact CB-CD1 4.34Å
278R93.5Very high89.2Confident6 Ų664 Ų642%0.02331%0.309CS..Hα-helixtrans-60.1-33.1-179.1-158.7175.4-174.1-145.2-14.8112.3D238 D241 Y274 A275 Y276 P302 L303 I304D238-R278 IonicContact OD1-CZ 3.11Å; D238-R278 IonicContact OD1-NH1 3.78Å; D238-R278 PolarHBondContact OD1-NH1 2.75Å; D238-R278 IonicContact OD1-NH2 3.8Å; D238-R278 PolarHBondContact OD1-NH2 3.19Å; D238-R278 IonicContact OD2-NH2 3.9Å; D241-R278 VanDerWaalsContact OD2-CD 3.25Å; D241-R278 WeakPolarHBondContact OD2-CD 3.3Å; D241-R278 IonicContact OD2-CZ 3.97Å; D241-R278 IonicContact OD2-NE 2.74Å; D241-R278 IonicContact OD2-NH1 2.92Å; D241-R278 PolarHBondContact OD2-NH1 3.05Å; Y274-R278 WeakPolarHBondContact O-CB 3.23Å; Y274-R278 PolarHBondContact O-N 3.34Å; A275-R278 WeakPolarHBondContact O-CB 3.41Å; A275-R278 PolarHBondContact O-N 2.91Å; Y276-R278 PolarHBondContact O-N 3.26Å; R278-P302 HydrophobicContact CG-CB 3.66Å; R278-P302 CarbonylContact O-C 3.52Å; R278-P302 VanDerWaalsContact O-CA 3.31Å; R278-P302 WeakPolarHBondContact O-CA 3.43Å; R278-L303 PolarHBondContact O-N 3.22Å; R278-I304 HydrophobicContact CG-CB 4.48Å; R278-I304 WeakPolarHBondContact CG-O 3.29Å; R278-I304 PolarHBondContact NE-O 2.94Å
279F93Very high88.5Confident2 Ų265.2 Ų65.21%0.00932%0.317CS..THydrogen-bonded Turntrans-110.314.6179.1-70.6-82.6000114D238 D241 K242 L245 A275 Y276 K277 F281 V298 S299 P302D238-F279 WeakPolarHBondContact O-CZ 3.42Å; D241-F279 HydrophobicContact CB-CD2 4.45Å; D241-F279 HydrophobicContact CB-CE2 3.65Å; K242-F279 HydrophobicContact CB-CE1 3.95Å; K242-F279 HydrophobicContact CB-CE2 3.96Å; K242-F279 HydrophobicContact CB-CZ 3.59Å; K242-F279 HydrophobicContact CD-CE1 4.11Å; K242-F279 HydrophobicContact CG-CD1 4.48Å; K242-F279 HydrophobicContact CG-CE1 4.09Å; K242-F279 HydrophobicContact CG-CZ 4.25Å; K242-F279 VanDerWaalsContact N-CE2 3.34Å; L245-F279 HydrophobicContact CD1-CB 3.55Å; L245-F279 HydrophobicContact CD1-CD2 4.13Å; L245-F279 HydrophobicContact CD1-CG 3.82Å; L245-F279 HydrophobicContact CD2-CB 4.4Å; A275-F279 PolarHBondContact O-N 3.35Å; Y276-F279 CarbonylContact O-C 3.44Å; Y276-F279 PolarHBondContact O-N 3.21Å; K277-F279 PolarHBondContact O-N 2.94Å; F279-F281 PolarHBondContact O-N 3.45Å; F279-V298 HydrophobicContact CB-CG1 4.32Å; F279-V298 CarbonylContact O-C 3.6Å; F279-V298 WeakPolarHBondContact O-CA 3.44Å; F279-S299 WeakPolarHBondContact CD1-O 3.3Å; F279-S299 PolarHBondContact O-N 3.09Å; F279-P302 HydrophobicContact CE1-CB 4.5Å; F279-P302 HydrophobicContact CZ-CB 4.3Å
280N92Very high87.9Confident68 Ų6866.6 Ų66.636%0.36433%0.327SS..THydrogen-bonded Turntrans53.537.3-176.2-161.953000113.4Y276 K277 D297 L303Y276-N280 PolarHBondContact O-N 3.27Å; Y276-N280 VanDerWaalsContact O-N 3.1Å; K277-N280 PolarHBondContact O-N 3.46Å; N280-D297 PolarHBondContact ND2-O 3.03Å; N280-L303 HydrophobicContact CB-CD1 3.75Å
281F90.4Very high87.2Confident15 Ų1569 Ų697%0.06634%0.338CS..  trans-88.7122.5174.3177-108.4000109.8L245 P246 Y276 F279 L283 F295 V298L245-F281 HydrophobicContact CD2-CB 3.75Å; L245-F281 HydrophobicContact CD2-CD1 4.18Å; L245-F281 HydrophobicContact CD2-CG 4.08Å; P246-F281 HydrophobicContact CB-CZ 4.25Å; P246-F281 HydrophobicContact CG-CE1 3.89Å; P246-F281 HydrophobicContact CG-CZ 3.78Å; Y276-F281 AromaticContact CD1-CD1 3.61Å; Y276-F281 HydrophobicContact CD1-CD1 3.61Å; Y276-F281 HydrophobicContact CD1-CE1 4.27Å; Y276-F281 AromaticContact CD2-CD1 3.82Å; Y276-F281 HydrophobicContact CD2-CD1 3.82Å; Y276-F281 HydrophobicContact CD2-CE1 4.14Å; Y276-F281 AromaticContact CE1-CD1 3.81Å; Y276-F281 HydrophobicContact CE1-CD1 3.81Å; Y276-F281 HydrophobicContact CE1-CE1 4.02Å; Y276-F281 HydrophobicContact CE2-CD1 4.04Å; Y276-F281 AromaticContact CE2-CE1 3.9Å; Y276-F281 HydrophobicContact CE2-CE1 3.9Å; Y276-F281 AromaticContact CG-CD1 3.6Å; Y276-F281 HydrophobicContact CG-CD1 3.6Å; Y276-F281 HydrophobicContact CG-CE1 4.32Å; Y276-F281 AromaticContact CZ-CE1 3.83Å; Y276-F281 PolarHBondContact O-N 3.36Å; F279-F281 PolarHBondContact O-N 3.45Å; F281-L283 HydrophobicContact CE1-CD2 3.73Å; F281-L283 HydrophobicContact CE1-CG 4.04Å; F281-L283 HydrophobicContact CZ-CD2 3.85Å; F281-L283 HydrophobicContact CZ-CG 4.45Å; F281-F295 HydrophobicContact CD2-CD1 4.28Å; F281-F295 AromaticContact CE2-CD1 3.7Å; F281-F295 HydrophobicContact CE2-CD1 3.7Å; F281-F295 AromaticContact CE2-CE1 3.67Å; F281-F295 HydrophobicContact CE2-CE1 3.67Å; F281-F295 HydrophobicContact CZ-CE1 4.28Å; F281-V298 HydrophobicContact CB-CG2 4.19Å; F281-V298 HydrophobicContact CD2-CG2 3.69Å; F281-V298 HydrophobicContact CG-CG2 4.42Å
282E86.6Confident86.3Confident135 Ų13577.2 Ų77.263%0.63138%0.377SS*.  trans-114.3136.4171.8-65.8-172.3162.900109.5K284E282-K284 PolarHBondContact O-N 2.93Å
283L83.3Confident85.8Confident123 Ų12380.1 Ų80.164%0.64439%0.392SS*.  trans-72.6110173.3-73.3166.2000108.5Y276 F281Y276-L283 HydrophobicContact CE2-CD1 4.16Å; Y276-L283 HydrophobicContact CE2-CG 4.3Å; F281-L283 HydrophobicContact CE1-CD2 3.73Å; F281-L283 HydrophobicContact CE1-CG 4.04Å; F281-L283 HydrophobicContact CZ-CD2 3.85Å; F281-L283 HydrophobicContact CZ-CG 4.45Å
284K84.7Confident85.1Confident65 Ų6575 Ų7528%0.28337%0.371SS..  trans-98.5148.4175.4-60.4-178.4-175179.40110.2E282 P286 T289 N293 D297E282-K284 PolarHBondContact O-N 2.93Å; K284-P286 WeakPolarHBondContact O-CD 3.45Å; K284-T289 HydrophobicContact CB-CG2 4.27Å; K284-T289 HydrophobicContact CD-CG2 3.79Å; K284-N293 PolarHBondContact NZ-O 3.36Å; K284-D297 IonicContact NZ-OD2 2.68Å; K284-D297 PolarHBondContact NZ-OD2 3.46Å
285D83.2Confident84.7Confident72 Ų7276.2 Ų76.239%0.38538%0.377SS..  trans-74.6120.9174.6-174.4-21.7000109.4N287 F288 T289D285-N287 PolarHBondContact O-N 2.84Å; D285-N287 VanDerWaalsContact OD1-CB 3.25Å; D285-N287 WeakPolarHBondContact OD1-CB 3.38Å; D285-N287 PolarHBondContact OD1-N 3.36Å; D285-N287 PolarHBondContact OD1-ND2 3.11Å; D285-F288 HydrophobicContact CB-CD2 3.89Å; D285-F288 PolarHBondContact O-N 3.45Å; D285-F288 VanDerWaalsContact O-N 3.11Å; D285-F288 WeakPolarHBondContact OD2-CD2 3.24Å; D285-F288 WeakPolarHBondContact OD2-CE2 3.42Å; D285-T289 WeakPolarHBondContact O-CB 3.41Å; D285-T289 PolarHBondContact O-N 2.83Å; D285-T289 PolarHBondContact O-OG1 2.71Å
286P77.6Confident84.1Confident63 Ų6383.3 Ų83.341%0.40941%0.408SS..THydrogen-bonded Turntrans-64.9-18.6179.927.3-35.4000113K284 F288 M294K284-P286 WeakPolarHBondContact O-CD 3.45Å; P286-F288 VanDerWaalsContact C-N 3.28Å; P286-F288 PolarHBondContact O-N 3.23Å; P286-M294 HydrophobicContact CB-SD 4.3Å
287N82.7Confident83.7Confident136 Ų13686.5 Ų86.573%0.72743%0.426SS*.THydrogen-bonded Turntrans-71.2-24.5175.2-60.1-56.1000112.7D285D285-N287 PolarHBondContact O-N 2.84Å; D285-N287 VanDerWaalsContact OD1-CB 3.25Å; D285-N287 WeakPolarHBondContact OD1-CB 3.38Å; D285-N287 PolarHBondContact OD1-N 3.36Å; D285-N287 PolarHBondContact OD1-ND2 3.11Å
288F83.8Confident83.5Confident178 Ų17881.1 Ų81.178%0.78141%0.405SS*.THydrogen-bonded Turntrans-113.8-8.4-177-60.1-73.9000113.3D285 P286D285-F288 HydrophobicContact CB-CD2 3.89Å; D285-F288 PolarHBondContact O-N 3.45Å; D285-F288 VanDerWaalsContact O-N 3.11Å; D285-F288 WeakPolarHBondContact OD2-CD2 3.24Å; D285-F288 WeakPolarHBondContact OD2-CE2 3.42Å; P286-F288 VanDerWaalsContact C-N 3.28Å; P286-F288 PolarHBondContact O-N 3.23Å
289T78Confident83.2Confident29 Ų2982.3 Ų82.318%0.17841%0.414CS..SBendtrans-123.8122.9-176.2-48.70000109.8K284 D285 N293 M294K284-T289 HydrophobicContact CB-CG2 4.27Å; K284-T289 HydrophobicContact CD-CG2 3.79Å; D285-T289 WeakPolarHBondContact O-CB 3.41Å; D285-T289 PolarHBondContact O-N 2.83Å; D285-T289 PolarHBondContact O-OG1 2.71Å; T289-N293 HydrophobicContact CG2-CB 3.72Å; T289-M294 HydrophobicContact CG2-CG 4.08Å
290S78Confident82.9Confident60 Ų6088.2 Ų88.242%0.4245%0.446SS..  trans-62.6150.4172.561.30000111.2E292 N293 M294S290-E292 PolarHBondContact O-N 3.38Å; S290-E292 VanDerWaalsContact O-N 3.11Å; S290-N293 WeakPolarHBondContact O-CA 3.42Å; S290-N293 PolarHBondContact O-N 2.89Å; S290-N293 PolarHBondContact OG-ND2 3.5Å; S290-M294 PolarHBondContact O-N 2.91Å; S290-M294 VanDerWaalsContact O-N 3.15Å
291E76.6Confident82.8Confident156 Ų15692.6 Ų92.673%0.72946%0.462SS*.Hα-helixtrans-51.7-37.9-179.8-171.9174.8-17800112.7N293 M294E291-N293 VanDerWaalsContact C-N 3.3Å; E291-N293 PolarHBondContact O-N 2.96Å; E291-M294 HydrophobicContact CB-CE 4Å; E291-M294 HydrophobicContact CG-CE 3.75Å; E291-M294 PolarHBondContact O-N 3.43Å
292E75.5Confident82.7Confident175 Ų17593.9 Ų93.982%0.81847%0.472SS*.Hα-helixtrans-62.2-32.9175.7-63.2-179.1175.200113.8S290S290-E292 PolarHBondContact O-N 3.38Å; S290-E292 VanDerWaalsContact O-N 3.11Å
293N80.1Confident82.9Confident65 Ų6592.7 Ų92.735%0.34847%0.469SS..Hα-helixtrans-93.9-8.2-177.1-72.2-45.4000113.2K284 T289 S290 E291 F295K284-N293 PolarHBondContact NZ-O 3.36Å; T289-N293 HydrophobicContact CG2-CB 3.72Å; S290-N293 WeakPolarHBondContact O-CA 3.42Å; S290-N293 PolarHBondContact O-N 2.89Å; S290-N293 PolarHBondContact OG-ND2 3.5Å; E291-N293 VanDerWaalsContact C-N 3.3Å; E291-N293 PolarHBondContact O-N 2.96Å; N293-F295 VanDerWaalsContact C-N 3.28Å; N293-F295 PolarHBondContact O-N 3.36Å
294M78.3Confident83.3Confident16 Ų1690.1 Ų90.18%0.07946%0.455CS..Hα-helixtrans-61.6-37-179.2-73.5-154.7-80.400112.4E205 P286 T289 S290 E291E205-M294 WeakPolarHBondContact OE1-CE 3.47Å; P286-M294 HydrophobicContact CB-SD 4.3Å; T289-M294 HydrophobicContact CG2-CG 4.08Å; S290-M294 PolarHBondContact O-N 2.91Å; S290-M294 VanDerWaalsContact O-N 3.15Å; E291-M294 HydrophobicContact CB-CE 4Å; E291-M294 HydrophobicContact CG-CE 3.75Å; E291-M294 PolarHBondContact O-N 3.43Å
295F82.8Confident83.6Confident71 Ų7191.9 Ų91.931%0.31147%0.474SS..SBendtrans-119.98.6-173.3-52.2-61.4000114.3P246 F281 N293 D297 V298P246-F295 HydrophobicContact CB-CE1 4.3Å; F281-F295 HydrophobicContact CD2-CD1 4.28Å; F281-F295 AromaticContact CE2-CD1 3.7Å; F281-F295 HydrophobicContact CE2-CD1 3.7Å; F281-F295 AromaticContact CE2-CE1 3.67Å; F281-F295 HydrophobicContact CE2-CE1 3.67Å; F281-F295 HydrophobicContact CZ-CE1 4.28Å; N293-F295 VanDerWaalsContact C-N 3.28Å; N293-F295 PolarHBondContact O-N 3.36Å; F295-D297 VanDerWaalsContact C-N 3.29Å; F295-D297 PolarHBondContact O-N 2.9Å; F295-V298 HydrophobicContact CB-CG2 4.25Å; F295-V298 WeakPolarHBondContact O-CB 3.41Å; F295-V298 WeakPolarHBondContact O-CG2 3.46Å; F295-V298 PolarHBondContact O-N 3.31Å
296K81.5Confident83.9Confident150 Ų15090.6 Ų90.665%0.65247%0.473SS*.THydrogen-bonded Turntrans-61.8-33.6-173.4-175.2176177.6-179.90113.9V298K296-V298 VanDerWaalsContact C-N 3.33Å
297D84.2Confident84.3Confident86 Ų8689.3 Ų89.346%0.4646%0.46SS..THydrogen-bonded Turntrans-90.30.2-175-51.9-47.2000113.1N280 K284 F295 S299N280-D297 PolarHBondContact ND2-O 3.03Å; K284-D297 IonicContact NZ-OD2 2.68Å; K284-D297 PolarHBondContact NZ-OD2 3.46Å; F295-D297 VanDerWaalsContact C-N 3.29Å; F295-D297 PolarHBondContact O-N 2.9Å; D297-S299 PolarHBondContact O-N 3.28Å
298V87.9Confident84.6Confident32 Ų3291.5 Ų91.519%0.19446%0.463CS..  trans-71.8119.1-179.7-179.10000109.2L245 F279 F281 F295 K296L245-V298 HydrophobicContact CD1-CG1 3.8Å; F279-V298 HydrophobicContact CB-CG1 4.32Å; F279-V298 CarbonylContact O-C 3.6Å; F279-V298 WeakPolarHBondContact O-CA 3.44Å; F281-V298 HydrophobicContact CB-CG2 4.19Å; F281-V298 HydrophobicContact CD2-CG2 3.69Å; F281-V298 HydrophobicContact CG-CG2 4.42Å; F295-V298 HydrophobicContact CB-CG2 4.25Å; F295-V298 WeakPolarHBondContact O-CB 3.41Å; F295-V298 WeakPolarHBondContact O-CG2 3.46Å; F295-V298 PolarHBondContact O-N 3.31Å; K296-V298 VanDerWaalsContact C-N 3.33Å
299S88.2Confident84.8Confident31 Ų3184.9 Ų84.922%0.21744%0.441CS..  trans-68.4143.9176178.90000110.7F279 D297 K301F279-S299 WeakPolarHBondContact CD1-O 3.3Å; F279-S299 PolarHBondContact O-N 3.09Å; D297-S299 PolarHBondContact O-N 3.28Å; S299-K301 VanDerWaalsContact C-N 3.34Å; S299-K301 WeakPolarHBondContact CB-O 3.3Å; S299-K301 PolarHBondContact OG-N 3.5Å; S299-K301 PolarHBondContact OG-O 3.16Å
300D86.2Confident85.4Confident127 Ų12787.4 Ų87.468%0.67945%0.451SS*.SBendtrans-74.7-26.8174.2-93.7-44000113.8K242K242-D300 PolarHBondContact NZ-O 3.49Å; K242-D300 IonicContact NZ-OD1 2.72Å; K242-D300 PolarHBondContact NZ-OD1 2.89Å
301K88.7Confident85.9Confident159 Ų15987.4 Ų87.469%0.69145%0.446SS*.SBendtrans-116.4150.8-178-68-176.2-178.2178.90110.4S299 L303S299-K301 VanDerWaalsContact C-N 3.34Å; S299-K301 WeakPolarHBondContact CB-O 3.3Å; S299-K301 PolarHBondContact OG-N 3.5Å; S299-K301 PolarHBondContact OG-O 3.16Å; K301-L303 PolarHBondContact O-N 3.4Å
302P90Very high86.5Confident42 Ų4281.5 Ų81.527%0.27342%0.42SS..  trans-64.2130.2176.228.1-35.2000110.8R278 F279R278-P302 HydrophobicContact CG-CB 3.66Å; R278-P302 CarbonylContact O-C 3.52Å; R278-P302 VanDerWaalsContact O-CA 3.31Å; R278-P302 WeakPolarHBondContact O-CA 3.43Å; F279-P302 HydrophobicContact CE1-CB 4.5Å; F279-P302 HydrophobicContact CZ-CB 4.3Å
303L90.5Very high87.2Confident111 Ų11174 Ų7458%0.58139%0.386SS*.SBendtrans-83.1-22175.7-61.4-177.3000112.7R278 N280 K301R278-L303 PolarHBondContact O-N 3.22Å; N280-L303 HydrophobicContact CB-CD1 3.75Å; K301-L303 PolarHBondContact O-N 3.4Å
304I91.1Very high87.5Confident68 Ų6874 Ų7435%0.34939%0.394SS..SBendtrans-122.8144.5-176.5-57.9173.8000107.8Y274 K277 R278Y274-I304 HydrophobicContact CE2-CG2 4.25Å; K277-I304 HydrophobicContact CB-CD1 4.34Å; R278-I304 HydrophobicContact CG-CB 4.48Å; R278-I304 WeakPolarHBondContact CG-O 3.29Å; R278-I304 PolarHBondContact NE-O 2.94Å
305P90.9Very high87.8Confident103 Ų10376.1 Ų76.167%0.66941%0.406SS*.PPolyproline II helixtrans-54.9166.1175.622.7-36.2000112.5Y274Y274-P305 PolarHBondContact OH-O 3.32Å
306A89.1Confident87.9Confident44 Ų4473 Ų7336%0.36439%0.393SS..PPolyproline II helixtrans-69.4140.9174.500000112Q237Q237-A306 HydrophobicContact CG-CB 4.32Å
307R86.5Confident88Confident37 Ų3774 Ų7414%0.1440%0.397CS..PPolyproline II helixtrans-85.3136.6177.4-177.6177.7-172.4-1501.3110Q237 D268 Y274 Q310Q237-R307 PolarHBondContact NE2-O 3.49Å; D268-R307 VanDerWaalsContact CG-NH1 3.34Å; D268-R307 IonicContact OD1-CZ 2.84Å; D268-R307 IonicContact OD1-NH1 3.78Å; D268-R307 PolarHBondContact OD1-NH1 3.45Å; D268-R307 VanDerWaalsContact OD1-NH1 3.11Å; D268-R307 IonicContact OD1-NH2 3.51Å; D268-R307 IonicContact OD2-CZ 3.38Å; D268-R307 IonicContact OD2-NH1 2.88Å; D268-R307 PolarHBondContact OD2-NH1 2.89Å; D268-R307 IonicContact OD2-NH2 2.59Å; Y274-R307 HydrophobicContact CD1-CB 3.84Å; Y274-R307 HydrophobicContact CE1-CB 3.36Å; Y274-R307 HydrophobicContact CE1-CG 4.45Å; Y274-R307 HydrophobicContact CE2-CB 4.2Å; Y274-R307 HydrophobicContact CG-CB 4.41Å; R307-Q310 VanDerWaalsContact NH2-CG 3.3Å
308K88.3Confident88Confident181 Ų18178.5 Ų78.579%0.78741%0.408SS*.PPolyproline II helixtrans-72.2146.4169.2-64.6-175.6179.3-177.20110.5Q310K308-Q310 PolarHBondContact O-N 2.85Å; K308-Q310 PolarHBondContact O-NE2 3.31Å
309A89.4Confident87.7Confident40 Ų4080.5 Ų80.533%0.33142%0.415SS..PPolyproline II helixtrans-50.3132.5173.700000111.5I325A309-I325 HydrophobicContact CB-CD1 3.65Å; A309-I325 HydrophobicContact CB-CG1 3.76Å
310Q89.6Confident87.4Confident81 Ų8181.8 Ų81.838%0.37943%0.433SS..  trans-153.9167178.567.4-164.2-95.500111.2R307 K308 T312R307-Q310 VanDerWaalsContact NH2-CG 3.3Å; K308-Q310 PolarHBondContact O-N 2.85Å; K308-Q310 PolarHBondContact O-NE2 3.31Å; Q310-T312 HydrophobicContact CG-CG2 4.35Å
311I88.5Confident87.3Confident60 Ų6076 Ų7631%0.30840%0.402SS..  trans-100.5113.3177-57.2174.1000108.3A267 Y316 L323A267-I311 HydrophobicContact CB-CG1 4.48Å; I311-Y316 HydrophobicContact CG2-CG 4.33Å; I311-L323 HydrophobicContact CD1-CD2 4.4Å; I311-L323 HydrophobicContact CD1-CG 3.93Å; I311-L323 HydrophobicContact CG1-CD1 3.92Å; I311-L323 HydrophobicContact CG1-CD2 3.46Å; I311-L323 VanDerWaalsContact CG1-CD2 3.46Å; I311-L323 HydrophobicContact CG1-CG 3.43Å; I311-L323 VanDerWaalsContact CG1-CG 3.43Å
312T89.8Confident87.1Confident33 Ų3373.8 Ų73.820%0.20239%0.392CS..  trans-101.9-20.2168.158.40000112.1A267 D268 P269 E270 Q310 A314A267-T312 PolarHBondContact O-N 3.47Å; D268-T312 VanDerWaalsContact CA-OG1 3.31Å; D268-T312 WeakPolarHBondContact CA-OG1 3.29Å; D268-T312 WeakPolarHBondContact OD1-CB 3.28Å; D268-T312 WeakPolarHBondContact OD1-CG2 3.4Å; D268-T312 PolarHBondContact OD1-OG1 3.31Å; P269-T312 WeakPolarHBondContact CD-OG1 3.45Å; E270-T312 HydrophobicContact CB-CG2 4.33Å; Q310-T312 HydrophobicContact CG-CG2 4.35Å; T312-A314 PolarHBondContact O-N 2.88Å; T312-A314 VanDerWaalsContact O-N 3.15Å
313N89Confident86.7Confident17 Ų1774.6 Ų74.69%0.09139%0.394CS..  trans-66.3114.5177.4-169.6-22.3000111G180 A266 A267 P269 N315 Y316 K317G180-N313 PolarHBondContact O-ND2 3.3Å; A266-N313 PolarHBondContact O-ND2 3.33Å; A267-N313 VanDerWaalsContact O-CB 3.24Å; A267-N313 WeakPolarHBondContact O-CB 3.4Å; A267-N313 PolarHBondContact O-N 3.11Å; P269-N313 HydrophobicContact CG-CB 4.08Å; N313-N315 PolarHBondContact O-N 3.06Å; N313-N315 WeakPolarHBondContact OD1-CB 3.35Å; N313-N315 PolarHBondContact OD1-N 3.22Å; N313-Y316 HydrophobicContact CB-CD2 3.81Å; N313-Y316 HydrophobicContact CB-CG 4.24Å; N313-Y316 WeakPolarHBondContact ND2-CD2 3.42Å; N313-Y316 WeakPolarHBondContact O-CB 3.49Å; N313-Y316 PolarHBondContact O-N 3.41Å; N313-Y316 VanDerWaalsContact O-N 3.09Å; N313-K317 PolarHBondContact O-N 2.9Å
314A87Confident86.4Confident64 Ų6470.1 Ų70.153%0.52937%0.37SS..Hα-helixtrans-58.2-32.7179.800000112.8T312 K317 R318T312-A314 PolarHBondContact O-N 2.88Å; T312-A314 VanDerWaalsContact O-N 3.15Å; A314-K317 PolarHBondContact O-N 3.3Å; A314-R318 VanDerWaalsContact O-CB 3.26Å; A314-R318 WeakPolarHBondContact O-CB 3.3Å; A314-R318 PolarHBondContact O-N 3.31Å
315N84.2Confident86.2Confident61 Ų6169.1 Ų69.133%0.32637%0.365SS..Hα-helixtrans-69.8-37.8178.3-67.7-31.3000111.6N313 K317 R318 H319N313-N315 PolarHBondContact O-N 3.06Å; N313-N315 WeakPolarHBondContact OD1-CB 3.35Å; N313-N315 PolarHBondContact OD1-N 3.22Å; N315-K317 PolarHBondContact O-N 3.34Å; N315-R318 PolarHBondContact O-N 3.08Å; N315-H319 PolarHBondContact O-CD2 3.09Å; N315-H319 VanDerWaalsContact O-CD2 3.27Å; N315-H319 PolarHBondContact O-N 3.25Å
316Y86.1Confident85.9Confident6 Ų664.3 Ų64.32%0.02433%0.334CS..Hα-helixtrans-60.2-47.9173.4-86.8-114.8000111.7A266 A267 I311 N313 G320 M321 M347A266-Y316 HydrophobicContact CB-CE2 4.29Å; A266-Y316 WeakPolarHBondContact CB-OH 2.9Å; A266-Y316 WeakPolarHBondContact O-CE2 3.41Å; A267-Y316 HydrophobicContact CB-CD1 3.6Å; A267-Y316 HydrophobicContact CB-CE1 3.64Å; A267-Y316 HydrophobicContact CB-CG 4.16Å; I311-Y316 HydrophobicContact CG2-CG 4.33Å; N313-Y316 HydrophobicContact CB-CD2 3.81Å; N313-Y316 HydrophobicContact CB-CG 4.24Å; N313-Y316 WeakPolarHBondContact ND2-CD2 3.42Å; N313-Y316 WeakPolarHBondContact O-CB 3.49Å; N313-Y316 PolarHBondContact O-N 3.41Å; N313-Y316 VanDerWaalsContact O-N 3.09Å; Y316-G320 PolarHBondContact O-N 3.5Å; Y316-G320 VanDerWaalsContact O-N 3.11Å; Y316-M321 HydrophobicContact CD1-CB 3.74Å; Y316-M321 HydrophobicContact CD1-CE 3.99Å; Y316-M321 HydrophobicContact CD2-CE 3.31Å; Y316-M321 HydrophobicContact CE1-CB 4.19Å; Y316-M321 HydrophobicContact CE1-CE 4.25Å; Y316-M321 HydrophobicContact CE2-CE 3.61Å; Y316-M321 HydrophobicContact CG-CB 4.16Å; Y316-M321 HydrophobicContact CG-CE 3.51Å; Y316-M321 PolarHBondContact O-N 3.34Å; Y316-M347 HydrophobicContact CE2-CE 4.36Å; Y316-M347 HydrophobicContact CE2-SD 4.39Å
317K83.2Confident85.6Confident172 Ų17263.1 Ų63.175%0.74833%0.326SS*.Hα-helixtrans-64.5-42.8178.6-170.1174.7-179.81790112.2N313 A314 N315 H319 G320N313-K317 PolarHBondContact O-N 2.9Å; A314-K317 PolarHBondContact O-N 3.3Å; N315-K317 PolarHBondContact O-N 3.34Å; K317-H319 PolarHBondContact O-N 3.25Å; K317-G320 PolarHBondContact O-N 2.98Å
318R84.2Confident85.3Confident180 Ų18063.1 Ų63.168%0.67933%0.328SS*.Hα-helixtrans-63.3-40.3-178.9-174.6-174-58.8174.42.2112.5A314 N315A314-R318 VanDerWaalsContact O-CB 3.26Å; A314-R318 WeakPolarHBondContact O-CB 3.3Å; A314-R318 PolarHBondContact O-N 3.31Å; N315-R318 PolarHBondContact O-N 3.08Å
319H82.1Confident85Confident74 Ų7462.1 Ų62.134%0.34333%0.331SS..Hα-helixtrans-95.33.3-176-68.1-81000113.7N315 K317 M321 I350N315-H319 PolarHBondContact O-CD2 3.09Å; N315-H319 VanDerWaalsContact O-CD2 3.27Å; N315-H319 PolarHBondContact O-N 3.25Å; K317-H319 PolarHBondContact O-N 3.25Å; H319-M321 HydrophobicContact CB-CG 4.34Å; H319-M321 PolarHBondContact O-N 2.99Å; H319-I350 HydrophobicContact CB-CD1 3.91Å; H319-I350 WeakPolarHBondContact CD2-CD1 3.1Å
320G81.1Confident84.7Confident58 Ų5865.4 Ų65.460%0.59834%0.34SS*.THydrogen-bonded Turntrans65.926178.500000113.4Y316 K317Y316-G320 PolarHBondContact O-N 3.5Å; Y316-G320 VanDerWaalsContact O-N 3.11Å; K317-G320 PolarHBondContact O-N 2.98Å
321M84.1Confident84.3Confident5 Ų565.7 Ų65.73%0.02535%0.349CS..PPolyproline II helixtrans-69.4141.7176.9-69.6-173.2-62.600110.1Y316 H319 N343 E346 M347 I350Y316-M321 HydrophobicContact CD1-CB 3.74Å; Y316-M321 HydrophobicContact CD1-CE 3.99Å; Y316-M321 HydrophobicContact CD2-CE 3.31Å; Y316-M321 HydrophobicContact CE1-CB 4.19Å; Y316-M321 HydrophobicContact CE1-CE 4.25Å; Y316-M321 HydrophobicContact CE2-CE 3.61Å; Y316-M321 HydrophobicContact CG-CB 4.16Å; Y316-M321 HydrophobicContact CG-CE 3.51Å; Y316-M321 PolarHBondContact O-N 3.34Å; H319-M321 HydrophobicContact CB-CG 4.34Å; H319-M321 PolarHBondContact O-N 2.99Å; M321-N343 HydrophobicContact SD-CB 4.39Å; M321-E346 HydrophobicContact CG-CB 4.43Å; M321-E346 WeakPolarHBondContact CG-OE2 3.21Å; M321-E346 HydrophobicContact SD-CB 4.29Å; M321-M347 HydrophobicContact CE-CG 4.13Å; M321-M347 HydrophobicContact CE-SD 3.41Å; M321-M347 WeakPolarHBondContact CE-SD 3.26Å; M321-M347 HydrophobicContact SD-CG 3.62Å; M321-M347 HydrophobicContact SD-SD 3.71Å; M321-I350 HydrophobicContact CE-CD1 4.32Å
322K83.7Confident84.1Confident113 Ų11363.8 Ų63.849%0.49134%0.338SS..PPolyproline II helixtrans-85.7151.5178.8-65.7-176.2-173171.90111.3D339 N343K322-D339 IonicContact NZ-OD1 3.77Å; K322-D339 IonicContact NZ-OD2 3.39Å; K322-D339 PolarHBondContact NZ-OD2 2.83Å; K322-N343 PolarHBondContact O-ND2 3.24Å
323L82.9Confident83.8Confident59 Ų5965.3 Ų65.331%0.30935%0.345SS..PPolyproline II helixtrans-64.2131.5168.4-76.4166.6000110.7D264 A267 I311 I325D264-L323 HydrophobicContact CB-CD2 4.46Å; A267-L323 HydrophobicContact CB-CD2 3.47Å; A267-L323 VanDerWaalsContact CB-CD2 3.47Å; I311-L323 HydrophobicContact CD1-CD2 4.4Å; I311-L323 HydrophobicContact CD1-CG 3.93Å; I311-L323 HydrophobicContact CG1-CD1 3.92Å; I311-L323 HydrophobicContact CG1-CD2 3.46Å; I311-L323 VanDerWaalsContact CG1-CD2 3.46Å; I311-L323 HydrophobicContact CG1-CG 3.43Å; I311-L323 VanDerWaalsContact CG1-CG 3.43Å; L323-I325 HydrophobicContact CB-CG1 4.19Å; L323-I325 PolarHBondContact O-N 3.44Å
324M84.1Confident83.4Confident16 Ų1670.2 Ų70.28%0.07937%0.371CS..  trans-92.973.8173.5-56.8-59.6-59.400110D264 F336 D339 E340 N343D264-M324 WeakPolarHBondContact OD2-CB 3.38Å; D264-M324 PolarHBondContact OD2-N 3.12Å; M324-F336 HydrophobicContact CB-CE2 4.48Å; M324-F336 HydrophobicContact CB-CZ 3.97Å; M324-F336 HydrophobicContact CE-CD1 3.65Å; M324-F336 HydrophobicContact CE-CD2 4.2Å; M324-F336 HydrophobicContact CE-CE1 3.36Å; M324-F336 HydrophobicContact CE-CE2 3.92Å; M324-F336 HydrophobicContact CE-CG 4.1Å; M324-F336 HydrophobicContact CE-CZ 3.53Å; M324-D339 HydrophobicContact CE-CB 4.46Å; M324-D339 HydrophobicContact SD-CB 4.38Å; M324-E340 HydrophobicContact CE-CB 3.51Å; M324-E340 HydrophobicContact CE-CG 4Å; M324-N343 PolarHBondContact SD-ND2 2.83Å; M324-N343 VanDerWaalsContact SD-ND2 3.42Å
325I85.9Confident83.1Confident47 Ų4773.4 Ų73.424%0.24138%0.375CS..  trans-100.3129.7175.4-63.1-62.7000108.9M260 D264 A309 L323M260-I325 VanDerWaalsContact O-CA 3.28Å; M260-I325 WeakPolarHBondContact O-CA 3.43Å; M260-I325 WeakPolarHBondContact O-CD1 3.36Å; M260-I325 WeakPolarHBondContact O-CG2 3.12Å; D264-I325 HydrophobicContact CB-CD1 4.44Å; A309-I325 HydrophobicContact CB-CD1 3.65Å; A309-I325 HydrophobicContact CB-CG1 3.76Å; L323-I325 HydrophobicContact CB-CG1 4.19Å; L323-I325 PolarHBondContact O-N 3.44Å
326L85.4Confident82.9Confident3 Ų371.7 Ų71.72%0.01637%0.365CS..  trans-122111.3176.3-174.571000108.1P135 M260 A261 E330 Y332 F336P135-L326 HydrophobicContact CB-CD2 3.76Å; M260-L326 CarbonylContact C-O 3.46Å; M260-L326 HydrophobicContact CB-CB 4.16Å; M260-L326 PolarHBondContact O-N 3.24Å; A261-L326 WeakPolarHBondContact CA-O 3.24Å; A261-L326 WeakPolarHBondContact CB-O 3.28Å; A261-L326 PolarHBondContact N-O 2.94Å; L326-E330 HydrophobicContact CD1-CB 3.99Å; L326-E330 WeakPolarHBondContact CD1-O 3.33Å; L326-Y332 HydrophobicContact CD2-CD2 4.26Å; L326-F336 HydrophobicContact CB-CE2 3.87Å; L326-F336 HydrophobicContact CB-CZ 4.18Å; L326-F336 HydrophobicContact CD1-CD2 4.05Å; L326-F336 HydrophobicContact CD1-CE2 4.22Å
327G81.8Confident82.7Confident19 Ų1973.5 Ų73.520%0.19637%0.373CS..  trans-58.2149.3173.700000111.3D329 E330G327-D329 PolarHBondContact O-N 2.9Å; G327-E330 PolarHBondContact N-OE2 3.22Å; G327-E330 PolarHBondContact O-N 3.1Å
328N81.7Confident82.7Confident36 Ų3672.6 Ų72.619%0.19337%0.369CS..THydrogen-bonded Turntrans-59.6-20-179.6-73.6-23.8000113.8G257 T258G257-N328 VanDerWaalsContact CA-OD1 3.29Å; G257-N328 WeakPolarHBondContact CA-OD1 3.48Å; T258-N328 PolarHBondContact N-OD1 3.36Å; T258-N328 PolarHBondContact O-OD1 3.32Å
329D80.8Confident82.6Confident160 Ų16066.1 Ų66.186%0.85635%0.348SS*.THydrogen-bonded Turntrans-107.3-4.4178.8-54.9-57.4000113.2G327G327-D329 PolarHBondContact O-N 2.9Å
330E82.8Confident82.6Confident109 Ų10963.6 Ų63.651%0.50934%0.336SS..SBendtrans-87.6130.1-176.8-68.4-176.9155.600110.7H138 L326 G327 Y332H138-E330 PolarHBondContact CE1-O 3.09Å; H138-E330 PolarHBondContact NE2-O 3.13Å; L326-E330 HydrophobicContact CD1-CB 3.99Å; L326-E330 WeakPolarHBondContact CD1-O 3.33Å; G327-E330 PolarHBondContact N-OE2 3.22Å; G327-E330 PolarHBondContact O-N 3.1Å; E330-Y332 PolarHBondContact O-N 2.75Å
331P81.7Confident82.6Confident88 Ų8863.3 Ų63.357%0.57133%0.325SS*.  trans-69.7134.6-17628.2-34.6000112N333P331-N333 PolarHBondContact O-N 3.04Å
332Y84.3Confident82.6Confident19 Ų1968.4 Ų68.48%0.07535%0.347CS..  trans-70.596.5167.3-174.3-109.8000109.8V120 P135 D136 L326 E330 F336 K337 E340V120-Y332 HydrophobicContact CB-CE1 4.24Å; V120-Y332 HydrophobicContact CG2-CE1 4.21Å; P135-Y332 HydrophobicContact CB-CD1 4.24Å; P135-Y332 HydrophobicContact CB-CD2 3.52Å; P135-Y332 HydrophobicContact CB-CE2 3.97Å; P135-Y332 HydrophobicContact CB-CG 3.67Å; P135-Y332 HydrophobicContact CG-CD1 4.16Å; P135-Y332 HydrophobicContact CG-CD2 3.98Å; P135-Y332 HydrophobicContact CG-CE1 4.14Å; P135-Y332 HydrophobicContact CG-CE2 3.97Å; P135-Y332 HydrophobicContact CG-CG 4.07Å; D136-Y332 VanDerWaalsContact OD1-CD1 3.25Å; D136-Y332 WeakPolarHBondContact OD1-CD1 3.29Å; L326-Y332 HydrophobicContact CD2-CD2 4.26Å; E330-Y332 PolarHBondContact O-N 2.75Å; Y332-F336 HydrophobicContact CD2-CB 4.4Å; Y332-F336 AromaticContact CD2-CD1 3.47Å; Y332-F336 HydrophobicContact CD2-CD1 3.47Å; Y332-F336 VanDerWaalsContact CD2-CD1 3.47Å; Y332-F336 AromaticContact CD2-CE1 3.88Å; Y332-F336 HydrophobicContact CD2-CE1 3.88Å; Y332-F336 HydrophobicContact CD2-CG 4.06Å; Y332-F336 AromaticContact CE2-CD1 3.2Å; Y332-F336 HydrophobicContact CE2-CD1 3.2Å; Y332-F336 AromaticContact CE2-CE1 3.5Å; Y332-F336 HydrophobicContact CE2-CE1 3.5Å; Y332-F336 HydrophobicContact CE2-CG 4.2Å; Y332-K337 HydrophobicContact CD1-CG 4.46Å; Y332-K337 HydrophobicContact CE1-CD 4.13Å; Y332-K337 HydrophobicContact CE1-CG 3.81Å; Y332-K337 HydrophobicContact CE2-CG 4.44Å; Y332-E340 PolarHBondContact OH-OE2 3.39Å
333N83.1Confident82.6Confident65 Ų6563.6 Ų63.635%0.34833%0.327SS..  trans-116.1-179.7-168.271.914.5000112.4P331 E335 F336 K337P331-N333 PolarHBondContact O-N 3.04Å; N333-E335 PolarHBondContact O-N 3.46Å; N333-E335 WeakPolarHBondContact OD1-CA 3.43Å; N333-E335 WeakPolarHBondContact OD1-CB 3.35Å; N333-E335 PolarHBondContact OD1-N 2.94Å; N333-F336 PolarHBondContact O-N 3.27Å; N333-F336 PolarHBondContact OD1-N 2.96Å; N333-K337 WeakPolarHBondContact O-CG 3.23Å; N333-K337 PolarHBondContact O-N 2.89Å
334N80.4Confident82.5Confident120 Ų12062.2 Ų62.264%0.64232%0.324SS*.Hα-helixtrans-62.8-23.7178.9-73-23.3000113.8K338N334-K338 WeakPolarHBondContact O-CB 3.21Å; N334-K338 WeakPolarHBondContact O-CD 3.44Å; N334-K338 WeakPolarHBondContact O-CG 3.33Å; N334-K338 PolarHBondContact O-N 3.46Å
335E81Confident82.5Confident132 Ų13268.3 Ų68.362%0.61735%0.35SS*.Hα-helixtrans-74.5-48.1177.2-171.7172.7-17200110.6N333 K337 K338 D339N333-E335 PolarHBondContact O-N 3.46Å; N333-E335 WeakPolarHBondContact OD1-CA 3.43Å; N333-E335 WeakPolarHBondContact OD1-CB 3.35Å; N333-E335 PolarHBondContact OD1-N 2.94Å; E335-K337 VanDerWaalsContact C-N 3.33Å; E335-K337 PolarHBondContact O-N 3.44Å; E335-K338 WeakPolarHBondContact O-CB 3.24Å; E335-K338 PolarHBondContact O-N 2.91Å; E335-K338 VanDerWaalsContact O-N 3.08Å; E335-D339 PolarHBondContact O-N 3.06Å
336F80.3Confident82.4Confident25 Ų2568.5 Ų68.511%0.1135%0.35CS..Hα-helixtrans-58.7-45.5172.9-167.1-80.4000110.9M324 L326 Y332 N333 K338 D339 E340M324-F336 HydrophobicContact CB-CE2 4.48Å; M324-F336 HydrophobicContact CB-CZ 3.97Å; M324-F336 HydrophobicContact CE-CD1 3.65Å; M324-F336 HydrophobicContact CE-CD2 4.2Å; M324-F336 HydrophobicContact CE-CE1 3.36Å; M324-F336 HydrophobicContact CE-CE2 3.92Å; M324-F336 HydrophobicContact CE-CG 4.1Å; M324-F336 HydrophobicContact CE-CZ 3.53Å; L326-F336 HydrophobicContact CB-CE2 3.87Å; L326-F336 HydrophobicContact CB-CZ 4.18Å; L326-F336 HydrophobicContact CD1-CD2 4.05Å; L326-F336 HydrophobicContact CD1-CE2 4.22Å; Y332-F336 HydrophobicContact CD2-CB 4.4Å; Y332-F336 AromaticContact CD2-CD1 3.47Å; Y332-F336 HydrophobicContact CD2-CD1 3.47Å; Y332-F336 VanDerWaalsContact CD2-CD1 3.47Å; Y332-F336 AromaticContact CD2-CE1 3.88Å; Y332-F336 HydrophobicContact CD2-CE1 3.88Å; Y332-F336 HydrophobicContact CD2-CG 4.06Å; Y332-F336 AromaticContact CE2-CD1 3.2Å; Y332-F336 HydrophobicContact CE2-CD1 3.2Å; Y332-F336 AromaticContact CE2-CE1 3.5Å; Y332-F336 HydrophobicContact CE2-CE1 3.5Å; Y332-F336 HydrophobicContact CE2-CG 4.2Å; N333-F336 PolarHBondContact O-N 3.27Å; N333-F336 PolarHBondContact OD1-N 2.96Å; F336-K338 VanDerWaalsContact C-N 3.28Å; F336-K338 PolarHBondContact O-N 3.43Å; F336-D339 PolarHBondContact O-N 3.29Å; F336-E340 VanDerWaalsContact O-CB 3.3Å; F336-E340 WeakPolarHBondContact O-CB 3.37Å; F336-E340 PolarHBondContact O-N 3.47Å
337K82Confident82.1Confident44 Ų4469.4 Ų69.419%0.19136%0.355CS..Hα-helixtrans-58.8-35.6175-71.1178.1177.3-177.30112.7D117 Y332 N333 E335 S341D117-K337 IonicContact OD1-NZ 3.91Å; D117-K337 IonicContact OD2-NZ 2.74Å; D117-K337 PolarHBondContact OD2-NZ 3.34Å; Y332-K337 HydrophobicContact CD1-CG 4.46Å; Y332-K337 HydrophobicContact CE1-CD 4.13Å; Y332-K337 HydrophobicContact CE1-CG 3.81Å; Y332-K337 HydrophobicContact CE2-CG 4.44Å; N333-K337 WeakPolarHBondContact O-CG 3.23Å; N333-K337 PolarHBondContact O-N 2.89Å; E335-K337 VanDerWaalsContact C-N 3.33Å; E335-K337 PolarHBondContact O-N 3.44Å; K337-S341 WeakPolarHBondContact O-CB 3.22Å; K337-S341 PolarHBondContact O-N 2.61Å
338K82.7Confident82.1Confident152 Ų15274.5 Ų74.566%0.66137%0.371SS*.Hα-helixtrans-70.5-46.7176.8-82.2170.5-175.5179.30111.8N334 E335 F336 E340 S341 K342N334-K338 WeakPolarHBondContact O-CB 3.21Å; N334-K338 WeakPolarHBondContact O-CD 3.44Å; N334-K338 WeakPolarHBondContact O-CG 3.33Å; N334-K338 PolarHBondContact O-N 3.46Å; E335-K338 WeakPolarHBondContact O-CB 3.24Å; E335-K338 PolarHBondContact O-N 2.91Å; E335-K338 VanDerWaalsContact O-N 3.08Å; F336-K338 VanDerWaalsContact C-N 3.28Å; F336-K338 PolarHBondContact O-N 3.43Å; K338-E340 VanDerWaalsContact C-N 3.27Å; K338-E340 PolarHBondContact O-N 2.85Å; K338-S341 PolarHBondContact O-N 3.4Å; K338-K342 WeakPolarHBondContact O-CB 3.46Å; K338-K342 PolarHBondContact O-N 3.46Å
339D81.8Confident82.3Confident44 Ų4479.2 Ų79.224%0.23539%0.39CS..Hα-helixtrans-62.6-39.8177.6-84.14.9000110.4K322 M324 E335 F336 K342 N343K322-D339 IonicContact NZ-OD1 3.77Å; K322-D339 IonicContact NZ-OD2 3.39Å; K322-D339 PolarHBondContact NZ-OD2 2.83Å; M324-D339 HydrophobicContact CE-CB 4.46Å; M324-D339 HydrophobicContact SD-CB 4.38Å; E335-D339 PolarHBondContact O-N 3.06Å; F336-D339 PolarHBondContact O-N 3.29Å; D339-K342 WeakPolarHBondContact O-CB 3.23Å; D339-K342 PolarHBondContact O-N 2.88Å; D339-N343 PolarHBondContact O-N 3.29Å
340E82Confident82.3Confident21 Ų2172.9 Ų72.910%0.09836%0.356CS..Hα-helixtrans-60.5-49173-162-157.813000111.8Y122 K156 M324 Y332 F336 K338 K342 N343 A344Y122-E340 PolarHBondContact OH-OE2 2.88Å; K156-E340 WeakPolarHBondContact CE-OE1 3.42Å; K156-E340 IonicContact NZ-OE1 2.66Å; K156-E340 PolarHBondContact NZ-OE1 3.47Å; M324-E340 HydrophobicContact CE-CB 3.51Å; M324-E340 HydrophobicContact CE-CG 4Å; Y332-E340 PolarHBondContact OH-OE2 3.39Å; F336-E340 VanDerWaalsContact O-CB 3.3Å; F336-E340 WeakPolarHBondContact O-CB 3.37Å; F336-E340 PolarHBondContact O-N 3.47Å; K338-E340 VanDerWaalsContact C-N 3.27Å; K338-E340 PolarHBondContact O-N 2.85Å; E340-K342 VanDerWaalsContact C-N 3.25Å; E340-K342 PolarHBondContact O-N 3.1Å; E340-N343 PolarHBondContact O-N 2.99Å; E340-A344 VanDerWaalsContact O-CB 3.29Å; E340-A344 WeakPolarHBondContact O-CB 3.46Å; E340-A344 PolarHBondContact O-N 3.33Å
341S82.7Confident82Confident53 Ų5370.1 Ų70.137%0.37135%0.348SS..Hα-helixtrans-63.2-33.4177.6177.50000112.1K337 K338 K345K337-S341 WeakPolarHBondContact O-CB 3.22Å; K337-S341 PolarHBondContact O-N 2.61Å; K338-S341 PolarHBondContact O-N 3.4Å; S341-K345 VanDerWaalsContact O-CG 3.29Å; S341-K345 WeakPolarHBondContact O-CG 3.31Å; S341-K345 PolarHBondContact O-N 3.01Å; S341-K345 VanDerWaalsContact O-N 3.13Å
342K84.3Confident82.1Confident112 Ų11271.9 Ų71.949%0.48735%0.347SS..Hα-helixtrans-68.8-53.1177.9-173.2-172.7174.4-163.60110.1K338 D339 E340 A344 K345 E346K338-K342 WeakPolarHBondContact O-CB 3.46Å; K338-K342 PolarHBondContact O-N 3.46Å; D339-K342 WeakPolarHBondContact O-CB 3.23Å; D339-K342 PolarHBondContact O-N 2.88Å; E340-K342 VanDerWaalsContact C-N 3.25Å; E340-K342 PolarHBondContact O-N 3.1Å; K342-A344 VanDerWaalsContact C-N 3.27Å; K342-A344 PolarHBondContact O-N 3.33Å; K342-K345 PolarHBondContact O-N 2.92Å; K342-K345 VanDerWaalsContact O-N 3.08Å; K342-E346 WeakPolarHBondContact CE-OE1 3.26Å; K342-E346 IonicContact NZ-OE1 3.87Å; K342-E346 PolarHBondContact O-N 3.45Å
343N81.9Confident82.1Confident11 Ų1174.2 Ų74.26%0.05936%0.361CS..Hα-helixtrans-56-42.5175.7-77.5-1.4000111.2M321 K322 M324 D339 E340 K345 E346 M347M321-N343 HydrophobicContact SD-CB 4.39Å; K322-N343 PolarHBondContact O-ND2 3.24Å; M324-N343 PolarHBondContact SD-ND2 2.83Å; M324-N343 VanDerWaalsContact SD-ND2 3.42Å; D339-N343 PolarHBondContact O-N 3.29Å; E340-N343 PolarHBondContact O-N 2.99Å; N343-K345 PolarHBondContact O-N 2.92Å; N343-E346 PolarHBondContact O-N 3.31Å; N343-M347 WeakPolarHBondContact O-CB 3.32Å; N343-M347 VanDerWaalsContact O-CG 3.31Å; N343-M347 WeakPolarHBondContact O-CG 3.23Å; N343-M347 PolarHBondContact O-N 3.36Å
344A81.9Confident81.9Confident31 Ų3173.6 Ų73.626%0.25637%0.365SS..Hα-helixtrans-63.6-37.7177.800000113.3E340 K342 K348E340-A344 VanDerWaalsContact O-CB 3.29Å; E340-A344 WeakPolarHBondContact O-CB 3.46Å; E340-A344 PolarHBondContact O-N 3.33Å; K342-A344 VanDerWaalsContact C-N 3.27Å; K342-A344 PolarHBondContact O-N 3.33Å; A344-K348 WeakPolarHBondContact O-CG 3.46Å; A344-K348 PolarHBondContact O-N 3.43Å; A344-K348 VanDerWaalsContact O-N 3.08Å
345K84.5Confident81.7Confident144 Ų14473.7 Ų73.763%0.62636%0.361SS*.Hα-helixtrans-69.1-40.9175.5-75.9172.1-177.4175.60111.4S341 K342 N343 K348 K349S341-K345 VanDerWaalsContact O-CG 3.29Å; S341-K345 WeakPolarHBondContact O-CG 3.31Å; S341-K345 PolarHBondContact O-N 3.01Å; S341-K345 VanDerWaalsContact O-N 3.13Å; K342-K345 PolarHBondContact O-N 2.92Å; K342-K345 VanDerWaalsContact O-N 3.08Å; N343-K345 PolarHBondContact O-N 2.92Å; K345-K348 PolarHBondContact O-N 2.94Å; K345-K349 PolarHBondContact O-N 2.87Å
346E83.9Confident81.5Confident51 Ų5170.8 Ų70.824%0.23835%0.35CS..Hα-helixtrans-63.6-44.9175.9-72177.1-177.600110.8M321 K342 N343 K348 K349 I350M321-E346 HydrophobicContact CG-CB 4.43Å; M321-E346 WeakPolarHBondContact CG-OE2 3.21Å; M321-E346 HydrophobicContact SD-CB 4.29Å; K342-E346 WeakPolarHBondContact CE-OE1 3.26Å; K342-E346 IonicContact NZ-OE1 3.87Å; K342-E346 PolarHBondContact O-N 3.45Å; N343-E346 PolarHBondContact O-N 3.31Å; E346-K348 VanDerWaalsContact C-N 3.34Å; E346-K348 PolarHBondContact O-N 3.43Å; E346-K349 WeakPolarHBondContact O-CA 3.49Å; E346-K349 WeakPolarHBondContact O-CB 3.44Å; E346-K349 PolarHBondContact O-N 3.23Å; E346-I350 VanDerWaalsContact O-CG1 3.27Å; E346-I350 WeakPolarHBondContact O-CG1 3.5Å; E346-I350 PolarHBondContact O-N 3.31Å
347M79Confident80.9Confident22 Ų2276.2 Ų76.211%0.10838%0.376CS..Hα-helixtrans-58-43173.4-74.4-62.4-85.700113.3M181 Y316 M321 N343 K349 I350 S351M181-M347 HydrophobicContact CB-CE 4.04Å; M181-M347 HydrophobicContact CE-CE 3.95Å; M181-M347 HydrophobicContact CG-CE 3.56Å; M181-M347 HydrophobicContact SD-CE 4.44Å; Y316-M347 HydrophobicContact CE2-CE 4.36Å; Y316-M347 HydrophobicContact CE2-SD 4.39Å; M321-M347 HydrophobicContact CE-CG 4.13Å; M321-M347 HydrophobicContact CE-SD 3.41Å; M321-M347 WeakPolarHBondContact CE-SD 3.26Å; M321-M347 HydrophobicContact SD-CG 3.62Å; M321-M347 HydrophobicContact SD-SD 3.71Å; N343-M347 WeakPolarHBondContact O-CB 3.32Å; N343-M347 VanDerWaalsContact O-CG 3.31Å; N343-M347 WeakPolarHBondContact O-CG 3.23Å; N343-M347 PolarHBondContact O-N 3.36Å; M347-K349 VanDerWaalsContact C-N 3.3Å; M347-K349 PolarHBondContact O-N 3.48Å; M347-I350 PolarHBondContact O-N 2.85Å; M347-I350 HydrophobicContact SD-CD1 3.99Å; M347-S351 PolarHBondContact O-N 3.49Å
348K82Confident79.7Confident126 Ų12679.3 Ų79.355%0.54839%0.394SS..Hα-helixtrans-63.1-37.9174.9-76.3-176.2177.5-162.80112E109 A344 K345 E346 K352E109-K348 IonicContact OE1-NZ 3.6Å; A344-K348 WeakPolarHBondContact O-CG 3.46Å; A344-K348 PolarHBondContact O-N 3.43Å; A344-K348 VanDerWaalsContact O-N 3.08Å; K345-K348 PolarHBondContact O-N 2.94Å; E346-K348 VanDerWaalsContact C-N 3.34Å; E346-K348 PolarHBondContact O-N 3.43Å; K348-K352 PolarHBondContact O-N 2.87Å; K348-K352 VanDerWaalsContact O-N 3.12Å
349K85Confident78.3Confident134 Ų13477.5 Ų77.558%0.58339%0.392SS*.Hα-helixtrans-64.2-47.6175.4-171-173173.7-172.30110.9K345 E346 M347 S351 K352 D353K345-K349 PolarHBondContact O-N 2.87Å; E346-K349 WeakPolarHBondContact O-CA 3.49Å; E346-K349 WeakPolarHBondContact O-CB 3.44Å; E346-K349 PolarHBondContact O-N 3.23Å; M347-K349 VanDerWaalsContact C-N 3.3Å; M347-K349 PolarHBondContact O-N 3.48Å; K349-S351 VanDerWaalsContact C-N 3.3Å; K349-S351 PolarHBondContact O-N 2.99Å; K349-K352 WeakPolarHBondContact O-CB 3.4Å; K349-K352 PolarHBondContact O-N 3.07Å; K349-D353 VanDerWaalsContact O-CG 3.28Å; K349-D353 PolarHBondContact O-N 3.47Å
350I80.5Confident77Confident27 Ų2781.6 Ų81.614%0.13841%0.414CS..Hα-helixtrans-56.2-46.6177.2-62.7164.3000111H319 M321 E346 M347 K352 D353 A354H319-I350 HydrophobicContact CB-CD1 3.91Å; H319-I350 WeakPolarHBondContact CD2-CD1 3.1Å; M321-I350 HydrophobicContact CE-CD1 4.32Å; E346-I350 VanDerWaalsContact O-CG1 3.27Å; E346-I350 WeakPolarHBondContact O-CG1 3.5Å; E346-I350 PolarHBondContact O-N 3.31Å; M347-I350 PolarHBondContact O-N 2.85Å; M347-I350 HydrophobicContact SD-CD1 3.99Å; I350-K352 PolarHBondContact O-N 2.94Å; I350-D353 PolarHBondContact O-N 3.05Å; I350-A354 WeakPolarHBondContact O-CB 3.34Å; I350-A354 PolarHBondContact O-N 3.43Å
351S77.4Confident75.7Confident51 Ų5187.4 Ų87.436%0.35745%0.446SS..Hα-helixtrans-62-33.5178.3-177.80000112.6M347 K349 Q355M347-S351 PolarHBondContact O-N 3.49Å; K349-S351 VanDerWaalsContact C-N 3.3Å; K349-S351 PolarHBondContact O-N 2.99Å; S351-Q355 WeakPolarHBondContact O-CG 3.42Å; S351-Q355 PolarHBondContact O-N 3.09Å
352K82.8Confident74.2Confident126 Ų12693 Ų9355%0.54847%0.465SS..Hα-helixtrans-75.6-47.3177.9-172-177.4174.6-174.20111.1K348 K349 I350 A354 Q355 D356K348-K352 PolarHBondContact O-N 2.87Å; K348-K352 VanDerWaalsContact O-N 3.12Å; K349-K352 WeakPolarHBondContact O-CB 3.4Å; K349-K352 PolarHBondContact O-N 3.07Å; I350-K352 PolarHBondContact O-N 2.94Å; K352-A354 PolarHBondContact O-N 3.49Å; K352-Q355 WeakPolarHBondContact O-CB 3.35Å; K352-Q355 PolarHBondContact O-N 3.31Å; K352-D356 PolarHBondContact O-N 3.23Å
353D84.9Confident72.3Confident68 Ų6890.9 Ų90.936%0.36448%0.476SS..Hα-helixtrans-59.7-35.9179.6-63.6-10.5000111.1K349 I350 D356 Q357K349-D353 VanDerWaalsContact O-CG 3.28Å; K349-D353 PolarHBondContact O-N 3.47Å; I350-D353 PolarHBondContact O-N 3.05Å; D353-D356 PolarHBondContact O-N 3.39Å; D353-Q357 PolarHBondContact O-N 2.84Å; D353-Q357 VanDerWaalsContact O-N 3.11Å
354A79Confident70.1Confident51 Ų5194.1 Ų94.142%0.42151%0.512SS..Hα-helixtrans-67.6-36.8174.100000113.3I350 K352 D358I350-A354 WeakPolarHBondContact O-CB 3.34Å; I350-A354 PolarHBondContact O-N 3.43Å; K352-A354 PolarHBondContact O-N 3.49Å; A354-D358 PolarHBondContact O-N 2.82Å
355Q77.1Confident68.1Low123 Ų12396.2 Ų96.258%0.57554%0.537SS*.Hα-helixtrans-70.6-32.7175.5-73.7175.2-15.400112.3S351 K352 N359S351-Q355 WeakPolarHBondContact O-CG 3.42Å; S351-Q355 PolarHBondContact O-N 3.09Å; K352-Q355 WeakPolarHBondContact O-CB 3.35Å; K352-Q355 PolarHBondContact O-N 3.31Å; Q355-N359 PolarHBondContact O-ND2 2.92Å
356D76.5Confident66Low70 Ų70102.3 Ų102.337%0.37457%0.567SS.*Hα-helixtrans-73.7-38.4179.2-67.7-21.4000111K352 D353 D358 N359 D360K352-D356 PolarHBondContact O-N 3.23Å; D353-D356 PolarHBondContact O-N 3.39Å; D356-D358 PolarHBondContact O-N 3.26Å; D356-N359 PolarHBondContact O-N 2.95Å; D356-N359 VanDerWaalsContact O-N 3.1Å; D356-D360 PolarHBondContact O-N 3.48Å; D356-D360 VanDerWaalsContact O-N 3.16Å
357Q67.6Low65.1Low139 Ų139104.9 Ų104.965%0.6558%0.583SS**Hα-helixtrans-61.6-39.9175.4-77.8-172.9-28.700113.4D353 N359 D360 D361D353-Q357 PolarHBondContact O-N 2.84Å; D353-Q357 VanDerWaalsContact O-N 3.11Å; Q357-N359 PolarHBondContact O-N 3.09Å; Q357-D360 PolarHBondContact O-N 3.35Å; Q357-D361 PolarHBondContact O-N 3.48Å
358D56.9Low64.3Low109 Ų109109.2 Ų109.258%0.58361%0.608SS**Hα-helixtrans-66.4-22.9176.1-76.2-14.9000112.5A354 D356 H362A354-D358 PolarHBondContact O-N 2.82Å; D356-D358 PolarHBondContact O-N 3.26Å; D358-H362 PolarHBondContact O-CD2 2.83Å; D358-H362 VanDerWaalsContact O-CD2 3.25Å
359N52.9Low63.3Low114 Ų114108.3 Ų108.361%0.6161%0.611SS**Hα-helixtrans-83.4-31.4176.2-72.3-45000112.8Q355 D356 Q357Q355-N359 PolarHBondContact O-ND2 2.92Å; D356-N359 PolarHBondContact O-N 2.95Å; D356-N359 VanDerWaalsContact O-N 3.1Å; Q357-N359 PolarHBondContact O-N 3.09Å
360D54.2Low62.1Low131 Ų131106.8 Ų106.870%0.70161%0.613SS**Hα-helixtrans-76.6-32.1179.3-74.1-23.4000112.2D356 Q357 H362D356-D360 PolarHBondContact O-N 3.48Å; D356-D360 VanDerWaalsContact O-N 3.16Å; Q357-D360 PolarHBondContact O-N 3.35Å; D360-H362 VanDerWaalsContact C-N 3.31Å; D360-H362 PolarHBondContact O-N 3.19Å
361D54.5Low60.9Low143 Ų143111.8 Ų111.877%0.76564%0.643SS**THydrogen-bonded Turntrans-78.7-8.7178.9-86.9-20.3000114.3Q357Q357-D361 PolarHBondContact O-N 3.48Å
362H52.5Low59.8Low169 Ų169115.8 Ų115.878%0.78266%0.662SS**THydrogen-bonded Turntrans-105.53.6176.2-70.8-38.2000114.6D358 D360D358-H362 PolarHBondContact O-CD2 2.83Å; D358-H362 VanDerWaalsContact O-CD2 3.25Å; D360-H362 VanDerWaalsContact C-N 3.31Å; D360-H362 PolarHBondContact O-N 3.19Å
363G42.9Very low58.2Low68 Ų68115.1 Ų115.170%0.70167%0.67SS**SBendtrans-101.92.3-179.900000116.3
364G36.8Very low56.1Low80 Ų80118.7 Ų118.783%0.82569%0.693SS**  trans-107.334.6-17000000116.4
365G39.4Very low54.2Low75 Ų75124.3 Ų124.377%0.77372%0.716SS**  trans-126.590.5175.100000111.3
366H39.4Very low52.1Low271 Ų271124.5 Ų124.5100%1.25573%0.729SS**  trans-80.50161.8-95.5-60.7000111.1

Retrieved 366 of 366 residues in 742.2 ms (Link to these results)

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