A0A087YGQ6_POEFO Loading...

EF-hand calcium-binding domain-containing protein 10-like

AlphaFold DB , UniProt , Accession A0A087YGQ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 134 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
1M58Low86.3Confident239 Ų239118.5 Ų118.5100%1.17757%0.568SS**  0134.40-69.5-178.3-172.900107.6
2S72.1Confident86.7Confident44 Ų44120.2 Ų120.231%0.30857%0.566SS.*  trans-62.4140177.5-131.90000109.9E6S2-E6 WeakPolarHBondContact CA-OE2 3.43Å; S2-E6 VanDerWaalsContact CB-OE2 3.29Å; S2-E6 WeakPolarHBondContact CB-OE2 3.25Å; S2-E6 WeakPolarHBondContact OG-CB 3.44Å; S2-E6 PolarHBondContact OG-OE2 2.79Å
3T89.3Confident87Confident74 Ų74114.8 Ų114.845%0.45454%0.542SS..  trans-67.6160176.665.10000110.9R5 E6 R7T3-R5 VanDerWaalsContact C-N 3.26Å; T3-R5 PolarHBondContact O-N 3.27Å; T3-E6 PolarHBondContact N-OE2 2.89Å; T3-E6 WeakPolarHBondContact O-CB 3.39Å; T3-E6 PolarHBondContact O-N 2.9Å; T3-E6 VanDerWaalsContact O-N 3.13Å; T3-E6 VanDerWaalsContact OG1-CD 3.29Å; T3-E6 VanDerWaalsContact OG1-CG 3.28Å; T3-E6 WeakPolarHBondContact OG1-CG 3.23Å; T3-E6 PolarHBondContact OG1-N 3.03Å; T3-E6 PolarHBondContact OG1-OE1 3.25Å; T3-R7 PolarHBondContact O-N 3.34Å; T3-R7 VanDerWaalsContact O-N 3.16Å
4Q89.6Confident86.9Confident104 Ų104118.3 Ų118.349%0.48655%0.554SS.*Hα-helixtrans-56.7-42.8176.8-17360.336.600111.5E6 R7 D8Q4-E6 VanDerWaalsContact C-N 3.31Å; Q4-E6 PolarHBondContact O-N 3.07Å; Q4-R7 WeakPolarHBondContact O-CB 3.34Å; Q4-R7 PolarHBondContact O-N 3.29Å; Q4-R7 VanDerWaalsContact O-N 3.08Å; Q4-D8 PolarHBondContact NE2-OD1 3.27Å; Q4-D8 PolarHBondContact O-N 2.83Å
5R90.1Very high86.8Confident216 Ų216119.7 Ų119.782%0.81556%0.558SS**Hα-helixtrans-58.1-40.2176.1-72.8-175.8175.1177.5-1.2113.1T3 R7 A9T3-R5 VanDerWaalsContact C-N 3.26Å; T3-R5 PolarHBondContact O-N 3.27Å; R5-R7 VanDerWaalsContact C-N 3.33Å; R5-A9 WeakPolarHBondContact O-CB 3.46Å; R5-A9 PolarHBondContact O-N 3.04Å
6E91.1Very high86.6Confident90 Ų90116.7 Ų116.742%0.42154%0.544SS..Hα-helixtrans-67.3-34.7177.1-73.9162.6-164.300112.4S2 T3 Q4 K10S2-E6 WeakPolarHBondContact CA-OE2 3.43Å; S2-E6 VanDerWaalsContact CB-OE2 3.29Å; S2-E6 WeakPolarHBondContact CB-OE2 3.25Å; S2-E6 WeakPolarHBondContact OG-CB 3.44Å; S2-E6 PolarHBondContact OG-OE2 2.79Å; T3-E6 PolarHBondContact N-OE2 2.89Å; T3-E6 WeakPolarHBondContact O-CB 3.39Å; T3-E6 PolarHBondContact O-N 2.9Å; T3-E6 VanDerWaalsContact O-N 3.13Å; T3-E6 VanDerWaalsContact OG1-CD 3.29Å; T3-E6 VanDerWaalsContact OG1-CG 3.28Å; T3-E6 WeakPolarHBondContact OG1-CG 3.23Å; T3-E6 PolarHBondContact OG1-N 3.03Å; T3-E6 PolarHBondContact OG1-OE1 3.25Å; Q4-E6 VanDerWaalsContact C-N 3.31Å; Q4-E6 PolarHBondContact O-N 3.07Å; E6-K10 WeakPolarHBondContact O-CB 3.29Å; E6-K10 VanDerWaalsContact O-CG 3.32Å; E6-K10 WeakPolarHBondContact O-CG 3.4Å; E6-K10 PolarHBondContact O-N 3.2Å; E6-K10 VanDerWaalsContact O-N 3.11Å
7R91.8Very high86.4Confident134 Ų134113.6 Ų113.651%0.50653%0.528SS..Hα-helixtrans-67.7-48.1175.6-68.6-169.9-74.7-143.4-1.1111T3 Q4 R5 A9 K10 E11T3-R7 PolarHBondContact O-N 3.34Å; T3-R7 VanDerWaalsContact O-N 3.16Å; Q4-R7 WeakPolarHBondContact O-CB 3.34Å; Q4-R7 PolarHBondContact O-N 3.29Å; Q4-R7 VanDerWaalsContact O-N 3.08Å; R5-R7 VanDerWaalsContact C-N 3.33Å; R7-A9 VanDerWaalsContact C-N 3.32Å; R7-A9 PolarHBondContact O-N 3.18Å; R7-K10 PolarHBondContact O-N 2.75Å; R7-E11 PolarHBondContact O-N 2.86Å
8D92.4Very high86.5Confident80 Ų80110.2 Ų110.243%0.42851%0.514SS..Hα-helixtrans-61.8-41.4180-56.6-17.6000111.2Q4 E11 Y12Q4-D8 PolarHBondContact NE2-OD1 3.27Å; Q4-D8 PolarHBondContact O-N 2.83Å; D8-E11 PolarHBondContact O-N 2.89Å; D8-Y12 WeakPolarHBondContact O-CB 3.26Å; D8-Y12 PolarHBondContact O-N 3.44Å
9A92.9Very high86.4Confident52 Ų52111.1 Ų111.143%0.4352%0.516SS..Hα-helixtrans-63.3-44.5175.800000112.3R5 R7 E11 Y12 L13R5-A9 WeakPolarHBondContact O-CB 3.46Å; R5-A9 PolarHBondContact O-N 3.04Å; R7-A9 VanDerWaalsContact C-N 3.32Å; R7-A9 PolarHBondContact O-N 3.18Å; A9-E11 VanDerWaalsContact C-N 3.31Å; A9-E11 PolarHBondContact O-N 3.32Å; A9-Y12 PolarHBondContact O-N 3.38Å; A9-L13 VanDerWaalsContact O-CG 3.28Å; A9-L13 WeakPolarHBondContact O-CG 3.46Å; A9-L13 PolarHBondContact O-N 3.32Å
10K90.2Very high86.1Confident138 Ų138109.5 Ų109.560%0.651%0.508SS*.Hα-helixtrans-61.9-41.1176.1-78.7175-179.8173.10111.7E6 R7 L13 K14E6-K10 WeakPolarHBondContact O-CB 3.29Å; E6-K10 VanDerWaalsContact O-CG 3.32Å; E6-K10 WeakPolarHBondContact O-CG 3.4Å; E6-K10 PolarHBondContact O-N 3.2Å; E6-K10 VanDerWaalsContact O-N 3.11Å; R7-K10 PolarHBondContact O-N 2.75Å; K10-L13 PolarHBondContact O-N 3.01Å; K10-K14 WeakPolarHBondContact O-CB 3.43Å; K10-K14 PolarHBondContact O-N 3.23Å
11E92.1Very high86.1Confident133 Ų133105.8 Ų105.862%0.62149%0.492SS*.Hα-helixtrans-65.3-43.2178.2-169.2174.9174.700111.5R7 D8 A9 K14 K15R7-E11 PolarHBondContact O-N 2.86Å; D8-E11 PolarHBondContact O-N 2.89Å; A9-E11 VanDerWaalsContact C-N 3.31Å; A9-E11 PolarHBondContact O-N 3.32Å; E11-K14 PolarHBondContact O-N 2.98Å; E11-K15 WeakPolarHBondContact O-CB 3.46Å; E11-K15 PolarHBondContact O-N 3Å
12Y90.9Very high87.5Confident138 Ų13899.4 Ų99.454%0.54146%0.461SS..Hα-helixtrans-58.2-51.6174.5-178.9-90.7000111.9D8 A9 K14 K15 H16D8-Y12 WeakPolarHBondContact O-CB 3.26Å; D8-Y12 PolarHBondContact O-N 3.44Å; A9-Y12 PolarHBondContact O-N 3.38Å; Y12-K14 VanDerWaalsContact C-N 3.3Å; Y12-K14 PolarHBondContact O-N 2.95Å; Y12-K15 PolarHBondContact O-N 3.45Å; Y12-H16 AromaticContact CD2-CD2 3.57Å; Y12-H16 AromaticContact CD2-NE2 3.84Å; Y12-H16 AromaticContact CE2-CD2 3.46Å; Y12-H16 VanDerWaalsContact CE2-CD2 3.46Å; Y12-H16 WeakPolarHBondContact CE2-CD2 3.47Å; Y12-H16 AromaticContact CE2-NE2 3.53Å; Y12-H16 AromaticContact CZ-CD2 3.82Å; Y12-H16 WeakPolarHBondContact O-CB 3.39Å; Y12-H16 PolarHBondContact O-CD2 2.81Å; Y12-H16 VanDerWaalsContact O-CD2 3.27Å; Y12-H16 PolarHBondContact O-N 2.81Å
13L90.2Very high88Confident50 Ų50102.3 Ų102.326%0.26247%0.473SS..Hα-helixtrans-59-42.7-179.5-68.6169.5000111.7A9 K10 K17 I18 F19A9-L13 VanDerWaalsContact O-CG 3.28Å; A9-L13 WeakPolarHBondContact O-CG 3.46Å; A9-L13 PolarHBondContact O-N 3.32Å; K10-L13 PolarHBondContact O-N 3.01Å; L13-K17 PolarHBondContact O-N 2.89Å; L13-K17 VanDerWaalsContact O-N 3.12Å; L13-I18 HydrophobicContact CD2-CB 3.79Å; L13-I18 HydrophobicContact CD2-CG1 4.07Å; L13-I18 HydrophobicContact CD2-CG2 3.81Å; L13-I18 PolarHBondContact O-N 3.23Å; L13-F19 HydrophobicContact CB-CD2 4.23Å; L13-F19 HydrophobicContact CB-CE2 3.77Å; L13-F19 HydrophobicContact CD1-CE2 3.8Å; L13-F19 HydrophobicContact CD1-CZ 3.74Å; L13-F19 HydrophobicContact CG-CE2 4.31Å
14K86.4Confident87.6Confident164 Ų164101 Ų10171%0.71346%0.463SS*.Hα-helixtrans-67.9-47.4177.7-174179-179.4-177.90112K10 E11 Y12 H16 K17K10-K14 WeakPolarHBondContact O-CB 3.43Å; K10-K14 PolarHBondContact O-N 3.23Å; E11-K14 PolarHBondContact O-N 2.98Å; Y12-K14 VanDerWaalsContact C-N 3.3Å; Y12-K14 PolarHBondContact O-N 2.95Å; K14-H16 VanDerWaalsContact C-N 3.26Å; K14-H16 PolarHBondContact O-N 3.25Å; K14-K17 PolarHBondContact O-N 3.16Å
15K85.6Confident87.5Confident139 Ų13996.8 Ų96.860%0.60444%0.444SS*.Hα-helixtrans-59.1-40-179.4179.6178.4179.41780111.5E11 Y12E11-K15 WeakPolarHBondContact O-CB 3.46Å; E11-K15 PolarHBondContact O-N 3Å; Y12-K15 PolarHBondContact O-N 3.45Å
16H82.9Confident87.4Confident72 Ų7289.9 Ų89.933%0.33343%0.425SS..THydrogen-bonded Turntrans-93.15.6-178.2-69.2-83.4000113.8Y12 K14 I18Y12-H16 AromaticContact CD2-CD2 3.57Å; Y12-H16 AromaticContact CD2-NE2 3.84Å; Y12-H16 AromaticContact CE2-CD2 3.46Å; Y12-H16 VanDerWaalsContact CE2-CD2 3.46Å; Y12-H16 WeakPolarHBondContact CE2-CD2 3.47Å; Y12-H16 AromaticContact CE2-NE2 3.53Å; Y12-H16 AromaticContact CZ-CD2 3.82Å; Y12-H16 WeakPolarHBondContact O-CB 3.39Å; Y12-H16 PolarHBondContact O-CD2 2.81Å; Y12-H16 VanDerWaalsContact O-CD2 3.27Å; Y12-H16 PolarHBondContact O-N 2.81Å; K14-H16 VanDerWaalsContact C-N 3.26Å; K14-H16 PolarHBondContact O-N 3.25Å; H16-I18 HydrophobicContact CB-CD1 3.75Å; H16-I18 HydrophobicContact CB-CG1 3.77Å; H16-I18 PolarHBondContact O-N 3.31Å
17K83.7Confident87.1Confident64 Ų6487.9 Ų87.928%0.27842%0.422SS..THydrogen-bonded Turntrans48.540.7-179-62.5-174.2175.2-1720113.4L13 K14 F19 E20 L21 A129L13-K17 PolarHBondContact O-N 2.89Å; L13-K17 VanDerWaalsContact O-N 3.12Å; K14-K17 PolarHBondContact O-N 3.16Å; K17-F19 VanDerWaalsContact C-N 3.33Å; K17-F19 PolarHBondContact O-N 3.48Å; K17-E20 WeakPolarHBondContact CA-OE2 3.23Å; K17-E20 HydrophobicContact CB-CB 4.34Å; K17-E20 PolarHBondContact O-N 3.36Å; K17-L21 PolarHBondContact O-N 2.85Å; K17-A129 WeakPolarHBondContact CD-O 3.48Å; K17-A129 PolarHBondContact NZ-O 3Å
18I88.5Confident86.7Confident52 Ų5281.9 Ų81.927%0.26740%0.4SS..Hα-helixtrans-68.1-35.2-172.2-60.8-61.7000111.1L13 H16 L21 M22L13-I18 HydrophobicContact CD2-CB 3.79Å; L13-I18 HydrophobicContact CD2-CG1 4.07Å; L13-I18 HydrophobicContact CD2-CG2 3.81Å; L13-I18 PolarHBondContact O-N 3.23Å; H16-I18 HydrophobicContact CB-CD1 3.75Å; H16-I18 HydrophobicContact CB-CG1 3.77Å; H16-I18 PolarHBondContact O-N 3.31Å; I18-L21 PolarHBondContact O-N 3.36Å; I18-M22 HydrophobicContact CG2-CG 4.49Å; I18-M22 VanDerWaalsContact O-CG 3.25Å; I18-M22 WeakPolarHBondContact O-CG 3.07Å; I18-M22 PolarHBondContact O-N 3.39Å; I18-M22 VanDerWaalsContact O-N 3.08Å
19F83.8Confident86.5Confident128 Ų12880.1 Ų80.156%0.56139%0.39SS*.Hα-helixtrans-66.3-44.3177.5-71.2-66.1000111.2L13 K17 L21 M22 D23L13-F19 HydrophobicContact CB-CD2 4.23Å; L13-F19 HydrophobicContact CB-CE2 3.77Å; L13-F19 HydrophobicContact CD1-CE2 3.8Å; L13-F19 HydrophobicContact CD1-CZ 3.74Å; L13-F19 HydrophobicContact CG-CE2 4.31Å; K17-F19 VanDerWaalsContact C-N 3.33Å; K17-F19 PolarHBondContact O-N 3.48Å; F19-L21 VanDerWaalsContact C-N 3.3Å; F19-L21 PolarHBondContact O-N 3.47Å; F19-M22 PolarHBondContact O-N 3.05Å; F19-M22 VanDerWaalsContact O-N 3.17Å; F19-D23 WeakPolarHBondContact O-CB 3.21Å; F19-D23 PolarHBondContact O-N 3.05Å
20E80.9Confident86.3Confident78 Ų7883.8 Ų83.836%0.36440%0.402SS..Hα-helixtrans-63.6-37.2178-59.388.7152.400111.5K17 N24 T130K17-E20 WeakPolarHBondContact CA-OE2 3.23Å; K17-E20 HydrophobicContact CB-CB 4.34Å; K17-E20 PolarHBondContact O-N 3.36Å; E20-N24 WeakPolarHBondContact O-CB 3.46Å; E20-N24 PolarHBondContact O-N 3.28Å; E20-T130 HydrophobicContact CB-CG2 3.69Å
21L84.9Confident85.9Confident32 Ų3282.9 Ų82.917%0.16840%0.398CS..Hα-helixtrans-60.4-48.8172.6175.863.7000111.2K17 I18 F19 N24 M25 L45 L48 T130K17-L21 PolarHBondContact O-N 2.85Å; I18-L21 PolarHBondContact O-N 3.36Å; F19-L21 VanDerWaalsContact C-N 3.3Å; F19-L21 PolarHBondContact O-N 3.47Å; L21-N24 PolarHBondContact O-N 2.75Å; L21-M25 HydrophobicContact CD1-CE 4.03Å; L21-M25 HydrophobicContact CD1-CG 4.33Å; L21-M25 HydrophobicContact CD1-SD 4.18Å; L21-M25 HydrophobicContact CG-CE 4.44Å; L21-M25 HydrophobicContact CG-SD 4.12Å; L21-M25 WeakPolarHBondContact O-CB 3.41Å; L21-M25 VanDerWaalsContact O-CG 3.29Å; L21-M25 WeakPolarHBondContact O-CG 3.29Å; L21-M25 PolarHBondContact O-N 2.81Å; L21-L45 HydrophobicContact CD1-CD2 4.34Å; L21-L45 HydrophobicContact CD2-CD2 4.44Å; L21-L48 HydrophobicContact CD1-CD1 3.58Å; L21-T130 HydrophobicContact CB-CG2 4.44Å
22M87.9Confident85.5Confident106 Ų10682.2 Ų82.252%0.52239%0.39SS..Hα-helixtrans-66.3-39.4-179.2-65.1-65.4-7600111.9I18 F19 M25 T26I18-M22 HydrophobicContact CG2-CG 4.49Å; I18-M22 VanDerWaalsContact O-CG 3.25Å; I18-M22 WeakPolarHBondContact O-CG 3.07Å; I18-M22 PolarHBondContact O-N 3.39Å; I18-M22 VanDerWaalsContact O-N 3.08Å; F19-M22 PolarHBondContact O-N 3.05Å; F19-M22 VanDerWaalsContact O-N 3.17Å; M22-M25 PolarHBondContact O-N 3.16Å; M22-T26 WeakPolarHBondContact O-CB 3.42Å; M22-T26 WeakPolarHBondContact O-CG2 3.48Å; M22-T26 PolarHBondContact O-N 2.75Å; M22-T26 PolarHBondContact O-OG1 3.46Å
23D83Confident85.4Confident105 Ų10585.4 Ų85.456%0.56140%0.401SS*.Hα-helixtrans-62-44.4175.2-78.5-4.1000111.4F19 T26 S27F19-D23 WeakPolarHBondContact O-CB 3.21Å; F19-D23 PolarHBondContact O-N 3.05Å; D23-T26 WeakPolarHBondContact CA-OG1 3.44Å; D23-T26 PolarHBondContact O-OG1 3.31Å; D23-T26 VanDerWaalsContact O-OG1 3.07Å; D23-S27 VanDerWaalsContact O-CB 3.28Å; D23-S27 WeakPolarHBondContact O-CB 3.35Å; D23-S27 PolarHBondContact O-N 2.97Å; D23-S27 PolarHBondContact O-OG 2.98Å
24N81.2Confident85.6Confident45 Ų4584.6 Ų84.624%0.24140%0.399CS..Hα-helixtrans-63.7-47176-84.7-27.7000112E20 L21 S27 M28 T130E20-N24 WeakPolarHBondContact O-CB 3.46Å; E20-N24 PolarHBondContact O-N 3.28Å; L21-N24 PolarHBondContact O-N 2.75Å; N24-S27 WeakPolarHBondContact O-CB 3.26Å; N24-S27 PolarHBondContact O-N 3.37Å; N24-M28 WeakPolarHBondContact O-CG 3.47Å; N24-M28 PolarHBondContact O-N 3.3Å; N24-T130 WeakPolarHBondContact ND2-CG2 3.41Å
25M86.6Confident86Confident17 Ų1786 Ų868%0.08441%0.408CS..Hα-helixtrans-61.1-46.8179.8-77.9-179.6152.600112.9L21 M22 S27 M28 L29 L41 L45L21-M25 HydrophobicContact CD1-CE 4.03Å; L21-M25 HydrophobicContact CD1-CG 4.33Å; L21-M25 HydrophobicContact CD1-SD 4.18Å; L21-M25 HydrophobicContact CG-CE 4.44Å; L21-M25 HydrophobicContact CG-SD 4.12Å; L21-M25 WeakPolarHBondContact O-CB 3.41Å; L21-M25 VanDerWaalsContact O-CG 3.29Å; L21-M25 WeakPolarHBondContact O-CG 3.29Å; L21-M25 PolarHBondContact O-N 2.81Å; M22-M25 PolarHBondContact O-N 3.16Å; M25-S27 VanDerWaalsContact C-N 3.32Å; M25-M28 PolarHBondContact O-N 3.12Å; M25-L29 WeakPolarHBondContact O-CG 3.3Å; M25-L29 PolarHBondContact O-N 2.99Å; M25-L41 HydrophobicContact CB-CD2 3.7Å; M25-L41 HydrophobicContact CE-CD2 4.38Å; M25-L41 HydrophobicContact CG-CD2 3.86Å; M25-L41 HydrophobicContact SD-CD2 4.15Å; M25-L45 HydrophobicContact CE-CD1 3.73Å; M25-L45 HydrophobicContact CE-CD2 3.2Å; M25-L45 HydrophobicContact CE-CG 3.19Å
26T88.2Confident86.5Confident70 Ų7083.9 Ų83.943%0.42940%0.404SS..Hα-helixtrans-64.5-39.1177.345.70000111.3M22 D23 M28 L29 L30M22-T26 WeakPolarHBondContact O-CB 3.42Å; M22-T26 WeakPolarHBondContact O-CG2 3.48Å; M22-T26 PolarHBondContact O-N 2.75Å; M22-T26 PolarHBondContact O-OG1 3.46Å; D23-T26 WeakPolarHBondContact CA-OG1 3.44Å; D23-T26 PolarHBondContact O-OG1 3.31Å; D23-T26 VanDerWaalsContact O-OG1 3.07Å; T26-M28 PolarHBondContact O-N 3.25Å; T26-L29 PolarHBondContact O-N 3.35Å; T26-L30 WeakPolarHBondContact O-CG 3.29Å; T26-L30 PolarHBondContact O-N 3.07Å
27S84.6Confident87Confident49 Ų4983.4 Ų83.434%0.34341%0.407SS..Hα-helixtrans-61.3-43.8174.3-59.80000112.1D23 N24 M25 L30 F31D23-S27 VanDerWaalsContact O-CB 3.28Å; D23-S27 WeakPolarHBondContact O-CB 3.35Å; D23-S27 PolarHBondContact O-N 2.97Å; D23-S27 PolarHBondContact O-OG 2.98Å; N24-S27 WeakPolarHBondContact O-CB 3.26Å; N24-S27 PolarHBondContact O-N 3.37Å; M25-S27 VanDerWaalsContact C-N 3.32Å; S27-L30 PolarHBondContact O-N 2.98Å; S27-F31 WeakPolarHBondContact O-CB 3.39Å; S27-F31 PolarHBondContact O-N 3.41Å
28M84.3Confident87.5Confident8 Ų888.6 Ų88.64%0.03943%0.43CS..Hα-helixtrans-63.2-42.8176-69.5175.8-170.900112N24 M25 T26 L30 F31 Y32 F40 Q44 P59N24-M28 WeakPolarHBondContact O-CG 3.47Å; N24-M28 PolarHBondContact O-N 3.3Å; M25-M28 PolarHBondContact O-N 3.12Å; T26-M28 PolarHBondContact O-N 3.25Å; M28-L30 PolarHBondContact O-N 3.5Å; M28-F31 PolarHBondContact O-N 3.15Å; M28-Y32 HydrophobicContact CB-CD2 4.22Å; M28-Y32 WeakPolarHBondContact O-CB 3.46Å; M28-Y32 VanDerWaalsContact O-CD2 3.31Å; M28-Y32 WeakPolarHBondContact O-CD2 3.33Å; M28-Y32 PolarHBondContact O-N 2.74Å; M28-F40 HydrophobicContact CB-CE1 3.83Å; M28-F40 HydrophobicContact CB-CZ 4.1Å; M28-Q44 HydrophobicContact SD-CG 4.02Å; M28-P59 HydrophobicContact CE-CB 3.83Å; M28-P59 HydrophobicContact CE-CG 4.36Å; M28-P59 WeakPolarHBondContact CE-O 3.5Å; M28-P59 HydrophobicContact SD-CB 4.38Å
29L88.4Confident87.8Confident43 Ų4391.3 Ų91.323%0.22544%0.441CS..Hα-helixtrans-62.2-42.4176.3-75.2177.9000112.6M25 T26 F31 R33 P34 P37 F40 L41M25-L29 WeakPolarHBondContact O-CG 3.3Å; M25-L29 PolarHBondContact O-N 2.99Å; T26-L29 PolarHBondContact O-N 3.35Å; L29-F31 VanDerWaalsContact C-N 3.31Å; L29-F31 PolarHBondContact O-N 3.32Å; L29-R33 WeakPolarHBondContact O-CA 3.17Å; L29-R33 PolarHBondContact O-N 3.49Å; L29-P34 HydrophobicContact CD2-CG 3.85Å; L29-P37 HydrophobicContact CD2-CB 3.8Å; L29-F40 HydrophobicContact CD2-CD1 3.75Å; L29-F40 HydrophobicContact CD2-CE1 4.32Å; L29-L41 HydrophobicContact CD1-CD1 3.91Å; L29-L41 HydrophobicContact CD1-CD2 3.97Å; L29-L41 HydrophobicContact CD1-CG 4.03Å; L29-L41 HydrophobicContact CD2-CD2 4.35Å; L29-L41 HydrophobicContact CD2-CG 4.25Å; L29-L41 HydrophobicContact CG-CD2 3.99Å; L29-L41 HydrophobicContact CG-CG 4.29Å
30L87.1Confident88.2Confident129 Ų12986.6 Ų86.668%0.67542%0.42SS*.Hα-helixtrans-65.4-35.9178.2-74.5174.3000112.4T26 S27 M28 R33T26-L30 WeakPolarHBondContact O-CG 3.29Å; T26-L30 PolarHBondContact O-N 3.07Å; S27-L30 PolarHBondContact O-N 2.98Å; M28-L30 PolarHBondContact O-N 3.5Å; L30-R33 WeakPolarHBondContact O-CG 3.46Å; L30-R33 PolarHBondContact O-NE 3.38Å
31F82Confident88.7Confident119 Ų11985 Ų8552%0.52241%0.414SS..Hα-helixtrans-76.9-56.5-179.5-179.1-99.4000112.5S27 M28 L29 L61S27-F31 WeakPolarHBondContact O-CB 3.39Å; S27-F31 PolarHBondContact O-N 3.41Å; M28-F31 PolarHBondContact O-N 3.15Å; L29-F31 VanDerWaalsContact C-N 3.31Å; L29-F31 PolarHBondContact O-N 3.32Å; F31-L61 HydrophobicContact CB-CD1 3.6Å; F31-L61 HydrophobicContact CD1-CD1 3.69Å; F31-L61 HydrophobicContact CD2-CD1 4.21Å; F31-L61 HydrophobicContact CE1-CD1 4.42Å; F31-L61 HydrophobicContact CG-CD1 3.57Å
32Y85.1Confident89.1Confident118 Ų11888 Ų8846%0.46343%0.429SS..Hα-helixtrans-79.4-25-174-69.6-70.7000113.3M28 P34 F40 L61M28-Y32 HydrophobicContact CB-CD2 4.22Å; M28-Y32 WeakPolarHBondContact O-CB 3.46Å; M28-Y32 VanDerWaalsContact O-CD2 3.31Å; M28-Y32 WeakPolarHBondContact O-CD2 3.33Å; M28-Y32 PolarHBondContact O-N 2.74Å; Y32-P34 VanDerWaalsContact C-N 3.35Å; Y32-F40 HydrophobicContact CD2-CE2 4.26Å; Y32-F40 AromaticContact CD2-CZ 3.69Å; Y32-F40 HydrophobicContact CD2-CZ 3.69Å; Y32-F40 HydrophobicContact CE2-CZ 4.35Å; Y32-F40 HydrophobicContact CG-CE2 4.46Å; Y32-F40 HydrophobicContact CG-CZ 4.27Å; Y32-L61 HydrophobicContact CE2-CD1 4.34Å
33R89.2Confident89.2Confident205 Ų20587.5 Ų87.577%0.77443%0.426SS*.  trans43.154.8-177.8-58.5-174.8179.7-177.9-1.7112.9L29 L30L29-R33 WeakPolarHBondContact O-CA 3.17Å; L29-R33 PolarHBondContact O-N 3.49Å; L30-R33 WeakPolarHBondContact O-CG 3.46Å; L30-R33 PolarHBondContact O-NE 3.38Å
34P93.3Very high89.4Confident34 Ų3483.6 Ų83.622%0.22140%0.404CS..  trans-64.1149.9-17630-37.5000111.3L29 Y32 N36 F40L29-P34 HydrophobicContact CD2-CG 3.85Å; Y32-P34 VanDerWaalsContact C-N 3.35Å; P34-N36 VanDerWaalsContact C-N 3.25Å; P34-N36 PolarHBondContact O-N 3.42Å; P34-F40 HydrophobicContact CB-CB 4.05Å; P34-F40 HydrophobicContact CB-CD2 4.31Å; P34-F40 HydrophobicContact CB-CG 4.19Å; P34-F40 HydrophobicContact CG-CB 3.8Å; P34-F40 HydrophobicContact CG-CD1 4.11Å; P34-F40 HydrophobicContact CG-CD2 4.31Å; P34-F40 HydrophobicContact CG-CG 3.81Å
35E95.4Very high89.7Confident193 Ų19385.2 Ų85.290%0.90241%0.412SS*.SBendtrans-61.4-35.3175.6-66.3-173.6164.900112.1P37E35-P37 VanDerWaalsContact O-CD 3.31Å; E35-P37 WeakPolarHBondContact O-CD 3.29Å
36N95.8Very high89.7Confident95 Ų9590.2 Ų90.251%0.50844%0.435SS..SBendtrans-116.683.3177.2-65.4-32.5000111.7P34 K38 E39 F40P34-N36 VanDerWaalsContact C-N 3.25Å; P34-N36 PolarHBondContact O-N 3.42Å; N36-K38 VanDerWaalsContact C-N 3.32Å; N36-K38 PolarHBondContact O-N 3.05Å; N36-E39 HydrophobicContact CB-CB 4.01Å; N36-E39 PolarHBondContact ND2-OE2 3.29Å; N36-E39 PolarHBondContact O-N 3.15Å; N36-F40 PolarHBondContact O-N 3.04Å; N36-F40 VanDerWaalsContact O-N 3.12Å
37P93.5Very high89.4Confident61 Ų6191.4 Ų91.440%0.39644%0.439SS..Hα-helixtrans-56.8-37.4-176.4-29.636.2000115.3L29 E35 L41L29-P37 HydrophobicContact CD2-CB 3.8Å; E35-P37 VanDerWaalsContact O-CD 3.31Å; E35-P37 WeakPolarHBondContact O-CD 3.29Å; P37-L41 WeakPolarHBondContact O-CG 3.48Å; P37-L41 PolarHBondContact O-N 3.45Å
38K94.6Very high89.2Confident174 Ų17490.1 Ų90.176%0.75743%0.428SS*.Hα-helixtrans-70.8-42.9-176.8-65.7179.7-176.9175.70112.1N36 L41 I42N36-K38 VanDerWaalsContact C-N 3.32Å; N36-K38 PolarHBondContact O-N 3.05Å; K38-L41 PolarHBondContact O-N 3.39Å; K38-I42 WeakPolarHBondContact O-CG1 3.2Å; K38-I42 PolarHBondContact O-N 2.99Å; K38-I42 VanDerWaalsContact O-N 3.12Å
39E95Very high89.1Confident109 Ų10996.1 Ų96.151%0.50945%0.454SS..Hα-helixtrans-63.8-47.4177.3-175.3168.7-146.500110.1N36 L41 I42 E43N36-E39 HydrophobicContact CB-CB 4.01Å; N36-E39 PolarHBondContact ND2-OE2 3.29Å; N36-E39 PolarHBondContact O-N 3.15Å; E39-L41 VanDerWaalsContact C-N 3.33Å; E39-L41 PolarHBondContact O-N 3.27Å; E39-I42 WeakPolarHBondContact O-CB 3.22Å; E39-I42 PolarHBondContact O-N 3.31Å; E39-E43 PolarHBondContact O-N 3.14Å
40F92.1Very high88.6Confident28 Ų2897.5 Ų97.512%0.12346%0.464CS..Hα-helixtrans-53.3-46.9173.3177-94.3000112.7M28 L29 Y32 P34 N36 I42 E43 Q44M28-F40 HydrophobicContact CB-CE1 3.83Å; M28-F40 HydrophobicContact CB-CZ 4.1Å; L29-F40 HydrophobicContact CD2-CD1 3.75Å; L29-F40 HydrophobicContact CD2-CE1 4.32Å; Y32-F40 HydrophobicContact CD2-CE2 4.26Å; Y32-F40 AromaticContact CD2-CZ 3.69Å; Y32-F40 HydrophobicContact CD2-CZ 3.69Å; Y32-F40 HydrophobicContact CE2-CZ 4.35Å; Y32-F40 HydrophobicContact CG-CE2 4.46Å; Y32-F40 HydrophobicContact CG-CZ 4.27Å; P34-F40 HydrophobicContact CB-CB 4.05Å; P34-F40 HydrophobicContact CB-CD2 4.31Å; P34-F40 HydrophobicContact CB-CG 4.19Å; P34-F40 HydrophobicContact CG-CB 3.8Å; P34-F40 HydrophobicContact CG-CD1 4.11Å; P34-F40 HydrophobicContact CG-CD2 4.31Å; P34-F40 HydrophobicContact CG-CG 3.81Å; N36-F40 PolarHBondContact O-N 3.04Å; N36-F40 VanDerWaalsContact O-N 3.12Å; F40-I42 VanDerWaalsContact C-N 3.31Å; F40-I42 PolarHBondContact O-N 3.47Å; F40-E43 PolarHBondContact O-N 3.18Å; F40-Q44 HydrophobicContact CD1-CG 4.1Å; F40-Q44 HydrophobicContact CE1-CG 3.66Å; F40-Q44 HydrophobicContact CE2-CG 4.3Å; F40-Q44 HydrophobicContact CZ-CG 3.77Å; F40-Q44 WeakPolarHBondContact O-CG 3.37Å; F40-Q44 PolarHBondContact O-N 3.42Å
41L90.8Very high88Confident44 Ų4491.5 Ų91.523%0.2343%0.433CS..Hα-helixtrans-62.9-36.2178.1-75.3-180000113.2M25 L29 P37 K38 E39 Q44 L45M25-L41 HydrophobicContact CB-CD2 3.7Å; M25-L41 HydrophobicContact CE-CD2 4.38Å; M25-L41 HydrophobicContact CG-CD2 3.86Å; M25-L41 HydrophobicContact SD-CD2 4.15Å; L29-L41 HydrophobicContact CD1-CD1 3.91Å; L29-L41 HydrophobicContact CD1-CD2 3.97Å; L29-L41 HydrophobicContact CD1-CG 4.03Å; L29-L41 HydrophobicContact CD2-CD2 4.35Å; L29-L41 HydrophobicContact CD2-CG 4.25Å; L29-L41 HydrophobicContact CG-CD2 3.99Å; L29-L41 HydrophobicContact CG-CG 4.29Å; P37-L41 WeakPolarHBondContact O-CG 3.48Å; P37-L41 PolarHBondContact O-N 3.45Å; K38-L41 PolarHBondContact O-N 3.39Å; E39-L41 VanDerWaalsContact C-N 3.33Å; E39-L41 PolarHBondContact O-N 3.27Å; L41-Q44 PolarHBondContact O-N 3.13Å; L41-L45 WeakPolarHBondContact O-CG 3.49Å; L41-L45 PolarHBondContact O-N 3.02Å
42I92.8Very high87.3Confident96 Ų9691.9 Ų91.949%0.49243%0.431SS..Hα-helixtrans-63.5-48.3176.2-69.3162.9000109.5K38 E39 F40 Q44 L45 E46K38-I42 WeakPolarHBondContact O-CG1 3.2Å; K38-I42 PolarHBondContact O-N 2.99Å; K38-I42 VanDerWaalsContact O-N 3.12Å; E39-I42 WeakPolarHBondContact O-CB 3.22Å; E39-I42 PolarHBondContact O-N 3.31Å; F40-I42 VanDerWaalsContact C-N 3.31Å; F40-I42 PolarHBondContact O-N 3.47Å; I42-Q44 VanDerWaalsContact C-N 3.33Å; I42-Q44 PolarHBondContact O-N 3.05Å; I42-L45 WeakPolarHBondContact O-CB 3.46Å; I42-L45 PolarHBondContact O-N 2.94Å; I42-L45 VanDerWaalsContact O-N 3.1Å; I42-E46 WeakPolarHBondContact O-CG 3.28Å; I42-E46 PolarHBondContact O-N 2.71Å
43E89.9Confident86.5Confident95 Ų9593.2 Ų93.244%0.44444%0.441SS..Hα-helixtrans-58.9-43.2177.2-66.2177.5169.100111.8E39 F40 L45 E46 L47E39-E43 PolarHBondContact O-N 3.14Å; F40-E43 PolarHBondContact O-N 3.18Å; E43-L45 VanDerWaalsContact C-N 3.32Å; E43-L45 PolarHBondContact O-N 3.21Å; E43-E46 PolarHBondContact O-N 3.43Å; E43-L47 WeakPolarHBondContact O-CG 3.5Å; E43-L47 PolarHBondContact O-N 3.26Å
44Q86.9Confident85.3Confident24 Ų2486.3 Ų86.311%0.11242%0.424CS..Hα-helixtrans-62.8-37.5176.5-62.8-44-65.200112.2M28 F40 L41 I42 L48M28-Q44 HydrophobicContact SD-CG 4.02Å; F40-Q44 HydrophobicContact CD1-CG 4.1Å; F40-Q44 HydrophobicContact CE1-CG 3.66Å; F40-Q44 HydrophobicContact CE2-CG 4.3Å; F40-Q44 HydrophobicContact CZ-CG 3.77Å; F40-Q44 WeakPolarHBondContact O-CG 3.37Å; F40-Q44 PolarHBondContact O-N 3.42Å; L41-Q44 PolarHBondContact O-N 3.13Å; I42-Q44 VanDerWaalsContact C-N 3.33Å; I42-Q44 PolarHBondContact O-N 3.05Å; Q44-L48 WeakPolarHBondContact O-CG 3.49Å; Q44-L48 PolarHBondContact O-N 3.21Å
45L87.3Confident83.5Confident79 Ų7988 Ų8841%0.41445%0.447SS..Hα-helixtrans-66.8-40.1174.6-78170.3000112.6L21 M25 L41 I42 E43 L48 K49L21-L45 HydrophobicContact CD1-CD2 4.34Å; L21-L45 HydrophobicContact CD2-CD2 4.44Å; M25-L45 HydrophobicContact CE-CD1 3.73Å; M25-L45 HydrophobicContact CE-CD2 3.2Å; M25-L45 HydrophobicContact CE-CG 3.19Å; L41-L45 WeakPolarHBondContact O-CG 3.49Å; L41-L45 PolarHBondContact O-N 3.02Å; I42-L45 WeakPolarHBondContact O-CB 3.46Å; I42-L45 PolarHBondContact O-N 2.94Å; I42-L45 VanDerWaalsContact O-N 3.1Å; E43-L45 VanDerWaalsContact C-N 3.32Å; E43-L45 PolarHBondContact O-N 3.21Å; L45-L48 HydrophobicContact CD2-CD1 4.48Å; L45-L48 WeakPolarHBondContact O-CB 3.33Å; L45-L48 PolarHBondContact O-N 2.69Å; L45-K49 PolarHBondContact O-N 3.12Å
46E87.7Confident81.7Confident121 Ų12184.4 Ų84.457%0.56543%0.432SS*.Hα-helixtrans-63.9-44.3176.6-71.8179.8167.700110.9I42 E43 L48 K49 V50I42-E46 WeakPolarHBondContact O-CG 3.28Å; I42-E46 PolarHBondContact O-N 2.71Å; E43-E46 PolarHBondContact O-N 3.43Å; E46-L48 VanDerWaalsContact C-N 3.35Å; E46-L48 PolarHBondContact O-N 2.88Å; E46-K49 WeakPolarHBondContact O-CB 3.48Å; E46-K49 PolarHBondContact O-N 2.73Å; E46-K49 VanDerWaalsContact O-N 3.16Å; E46-V50 WeakPolarHBondContact O-CG2 3.34Å; E46-V50 PolarHBondContact O-N 3.15Å
47L82.4Confident79.9Confident95 Ų9584.7 Ų84.750%0.49743%0.426SS..Hα-helixtrans-60.1-43.2173-70.1173.1000111.8E43 K49 V50 S51 P59E43-L47 WeakPolarHBondContact O-CG 3.5Å; E43-L47 PolarHBondContact O-N 3.26Å; L47-K49 VanDerWaalsContact C-N 3.33Å; L47-K49 PolarHBondContact O-N 3.41Å; L47-V50 PolarHBondContact O-N 3.39Å; L47-S51 VanDerWaalsContact O-CB 3.25Å; L47-S51 WeakPolarHBondContact O-CB 3.21Å; L47-S51 PolarHBondContact O-N 2.52Å; L47-S51 PolarHBondContact O-OG 2.99Å; L47-P59 HydrophobicContact CB-CG 4.4Å
48L80.5Confident78.4Confident22 Ų2282.5 Ų82.512%0.11542%0.415CS..Hα-helixtrans-59.3-43.3173.9-84165.9000111.9L21 Q44 L45 E46 S51 R52 P59L21-L48 HydrophobicContact CD1-CD1 3.58Å; Q44-L48 WeakPolarHBondContact O-CG 3.49Å; Q44-L48 PolarHBondContact O-N 3.21Å; L45-L48 HydrophobicContact CD2-CD1 4.48Å; L45-L48 WeakPolarHBondContact O-CB 3.33Å; L45-L48 PolarHBondContact O-N 2.69Å; E46-L48 VanDerWaalsContact C-N 3.35Å; E46-L48 PolarHBondContact O-N 2.88Å; L48-S51 WeakPolarHBondContact CA-OG 3.48Å; L48-S51 PolarHBondContact O-N 3.45Å; L48-S51 PolarHBondContact O-OG 3.28Å; L48-R52 PolarHBondContact O-N 3.38Å; L48-P59 HydrophobicContact CD1-CG 4.21Å; L48-P59 HydrophobicContact CD2-CG 3.97Å; L48-P59 HydrophobicContact CG-CG 3.55Å
49K80.6Confident76.8Confident134 Ų13475 Ų7558%0.58338%0.384SS*.Hα-helixtrans-62.6-48178.7-172.2-176.2174.4-169.30111.5L45 E46 L47 S51 R52 E53L45-K49 PolarHBondContact O-N 3.12Å; E46-K49 WeakPolarHBondContact O-CB 3.48Å; E46-K49 PolarHBondContact O-N 2.73Å; E46-K49 VanDerWaalsContact O-N 3.16Å; L47-K49 VanDerWaalsContact C-N 3.33Å; L47-K49 PolarHBondContact O-N 3.41Å; K49-S51 VanDerWaalsContact C-N 3.33Å; K49-S51 PolarHBondContact O-N 3.46Å; K49-R52 WeakPolarHBondContact O-CB 3.18Å; K49-R52 PolarHBondContact O-N 2.97Å; K49-E53 WeakPolarHBondContact CE-OE1 3.31Å; K49-E53 PolarHBondContact O-N 3.5Å
50V79.1Confident75.4Confident73 Ų7371.1 Ų71.144%0.44237%0.366SS..Hα-helixtrans-62.6-41177.1174.20000111E46 L47 R52 E53 S54 M56E46-V50 WeakPolarHBondContact O-CG2 3.34Å; E46-V50 PolarHBondContact O-N 3.15Å; L47-V50 PolarHBondContact O-N 3.39Å; V50-R52 VanDerWaalsContact C-N 3.28Å; V50-R52 PolarHBondContact O-N 3.32Å; V50-E53 PolarHBondContact O-N 2.7Å; V50-S54 WeakPolarHBondContact O-CB 3.38Å; V50-S54 PolarHBondContact O-N 3.4Å; V50-S54 PolarHBondContact O-OG 3.46Å; V50-M56 HydrophobicContact CG1-CE 4.07Å
51S73.4Confident74.2Confident2 Ų271.3 Ų71.31%0.01437%0.368CS..Hα-helixtrans-61-36.9178.476.70000112.6L47 L48 K49 G55 M56 G58L47-S51 VanDerWaalsContact O-CB 3.25Å; L47-S51 WeakPolarHBondContact O-CB 3.21Å; L47-S51 PolarHBondContact O-N 2.52Å; L47-S51 PolarHBondContact O-OG 2.99Å; L48-S51 WeakPolarHBondContact CA-OG 3.48Å; L48-S51 PolarHBondContact O-N 3.45Å; L48-S51 PolarHBondContact O-OG 3.28Å; K49-S51 VanDerWaalsContact C-N 3.33Å; K49-S51 PolarHBondContact O-N 3.46Å; S51-G55 WeakPolarHBondContact O-CA 3.31Å; S51-G55 PolarHBondContact O-N 2.9Å; S51-M56 WeakPolarHBondContact CA-O 3.45Å; S51-M56 WeakPolarHBondContact CB-O 3.12Å; S51-G58 VanDerWaalsContact CB-CA 3.45Å
52R68.6Low73.1Confident128 Ų12871.8 Ų71.848%0.48337%0.369SS..Hα-helixtrans-66.8-40176-176.6-177.8178.8-162.6-1.7112.3L48 K49 V50 Y131L48-R52 PolarHBondContact O-N 3.38Å; K49-R52 WeakPolarHBondContact O-CB 3.18Å; K49-R52 PolarHBondContact O-N 2.97Å; V50-R52 VanDerWaalsContact C-N 3.28Å; V50-R52 PolarHBondContact O-N 3.32Å; R52-Y131 HydrophobicContact CB-CD1 4.45Å; R52-Y131 HydrophobicContact CB-CE1 4.49Å; R52-Y131 HydrophobicContact CB-CG 4.48Å; R52-Y131 HydrophobicContact CG-CD2 4.02Å; R52-Y131 HydrophobicContact CG-CE2 4.3Å; R52-Y131 HydrophobicContact CG-CG 4.22Å
53E67.8Low72.2Confident146 Ų14670.4 Ų70.468%0.68236%0.363SS*.Hα-helixtrans-80.1-35.5-176.2-68.9172.6-172.300112.5K49 V50K49-E53 WeakPolarHBondContact CE-OE1 3.31Å; K49-E53 PolarHBondContact O-N 3.5Å; V50-E53 PolarHBondContact O-N 2.7Å
54S62.9Low71.5Confident59 Ų5969.7 Ų69.741%0.41336%0.362SS..Hα-helixtrans-96.5-11.7-175.661.40000114.4V50 M56V50-S54 WeakPolarHBondContact O-CB 3.38Å; V50-S54 PolarHBondContact O-N 3.4Å; V50-S54 PolarHBondContact O-OG 3.46Å; S54-M56 PolarHBondContact O-N 2.87Å; S54-M56 VanDerWaalsContact OG-CB 3.3Å; S54-M56 WeakPolarHBondContact OG-CB 3.45Å; S54-M56 WeakPolarHBondContact OG-CE 3.47Å; S54-M56 WeakPolarHBondContact OG-CG 3.5Å; S54-M56 PolarHBondContact OG-N 3.33Å
55G56.8Low71.1Confident69 Ų6972.1 Ų72.171%0.71138%0.381SS*.  trans67.25.6-168.700000113.7S51S51-G55 WeakPolarHBondContact O-CA 3.31Å; S51-G55 PolarHBondContact O-N 2.9Å
56M57.3Low70.8Confident118 Ų11870.4 Ų70.458%0.58137%0.372SS*.PPolyproline II helixtrans-69.2162.1174.5-69.8-166.3-74.100111.1V50 S51 S54 G58V50-M56 HydrophobicContact CG1-CE 4.07Å; S51-M56 WeakPolarHBondContact CA-O 3.45Å; S51-M56 WeakPolarHBondContact CB-O 3.12Å; S54-M56 PolarHBondContact O-N 2.87Å; S54-M56 VanDerWaalsContact OG-CB 3.3Å; S54-M56 WeakPolarHBondContact OG-CB 3.45Å; S54-M56 WeakPolarHBondContact OG-CE 3.47Å; S54-M56 WeakPolarHBondContact OG-CG 3.5Å; S54-M56 PolarHBondContact OG-N 3.33Å; M56-G58 PolarHBondContact O-N 3.48Å
57R58.9Low70.6Confident102 Ų10264.7 Ų64.739%0.38535%0.346SS..PPolyproline II helixtrans-63.5120.8-177.7-169.2172.4-169.9-146.6-6.5110.6F62 M121 M125R57-F62 PolarHBondContact NH2-O 2.99Å; R57-M121 VanDerWaalsContact NH1-CE 3.34Å; R57-M125 HydrophobicContact CB-CE 3.99Å; R57-M125 HydrophobicContact CG-CE 3.56Å
58G60.2Low70.7Confident15 Ų1563.4 Ų63.416%0.15534%0.342CS..PPolyproline II helixtrans-68.9167.5171.200000112.3S51 M56 N60S51-G58 VanDerWaalsContact CB-CA 3.45Å; M56-G58 PolarHBondContact O-N 3.48Å; G58-N60 PolarHBondContact O-N 3.32Å
59P62.5Low71Confident17 Ų1765 Ų6511%0.1136%0.358CS..PPolyproline II helixtrans-61.4126.617727.2-34.5000109.9M28 L47 L48M28-P59 HydrophobicContact CE-CB 3.83Å; M28-P59 HydrophobicContact CE-CG 4.36Å; M28-P59 WeakPolarHBondContact CE-O 3.5Å; M28-P59 HydrophobicContact SD-CB 4.38Å; L47-P59 HydrophobicContact CB-CG 4.4Å; L48-P59 HydrophobicContact CD1-CG 4.21Å; L48-P59 HydrophobicContact CD2-CG 3.97Å; L48-P59 HydrophobicContact CG-CG 3.55Å
60N65.5Low71.3Confident26 Ų2659.6 Ų59.614%0.13934%0.336CS..  trans-132.7135.4-180-164.4-39.4000107.8G58 F62 L124 S128G58-N60 PolarHBondContact O-N 3.32Å; N60-F62 PolarHBondContact O-N 3.48Å; N60-F62 PolarHBondContact OD1-N 3.36Å; N60-L124 PolarHBondContact ND2-O 3.4Å; N60-L124 VanDerWaalsContact ND2-O 3.14Å; N60-S128 PolarHBondContact ND2-OG 3.02Å
61L66.3Low71.6Confident32 Ų3256.3 Ų56.317%0.16832%0.316CS..SBendtrans-62.8-29.6176.5-175.565.5000111.9F31 Y32F31-L61 HydrophobicContact CB-CD1 3.6Å; F31-L61 HydrophobicContact CD1-CD1 3.69Å; F31-L61 HydrophobicContact CD2-CD1 4.21Å; F31-L61 HydrophobicContact CE1-CD1 4.42Å; F31-L61 HydrophobicContact CG-CD1 3.57Å; Y32-L61 HydrophobicContact CE2-CD1 4.34Å
62F68.3Low72.2Confident55 Ų5558.3 Ų58.324%0.24134%0.337CS..  trans-106.1124.2-177.5-61.4-73.4000111.5R57 N60 N66 L94 L124R57-F62 PolarHBondContact NH2-O 2.99Å; N60-F62 PolarHBondContact O-N 3.48Å; N60-F62 PolarHBondContact OD1-N 3.36Å; F62-N66 WeakPolarHBondContact CA-OD1 3.43Å; F62-N66 HydrophobicContact CD1-CB 3.99Å; F62-L94 HydrophobicContact CD1-CD2 3.62Å; F62-L94 HydrophobicContact CD2-CD2 4.37Å; F62-L94 HydrophobicContact CE1-CD2 3.74Å; F62-L94 HydrophobicContact CE2-CD2 4.47Å; F62-L94 HydrophobicContact CG-CD2 3.95Å; F62-L94 HydrophobicContact CZ-CD2 4.17Å; F62-L124 HydrophobicContact CB-CD1 3.83Å; F62-L124 HydrophobicContact CD2-CD2 3.81Å; F62-L124 HydrophobicContact CE2-CD2 4.46Å; F62-L124 HydrophobicContact CG-CD1 4.4Å; F62-L124 HydrophobicContact CG-CD2 4.5Å
63D72.8Confident73.1Confident67 Ų6757.6 Ų57.636%0.35834%0.341SS..  trans-112-177.3172.873.417000112.1S65 N66 L67D63-S65 PolarHBondContact O-N 2.88Å; D63-S65 VanDerWaalsContact OD1-CA 3.29Å; D63-S65 WeakPolarHBondContact OD1-CA 3.46Å; D63-S65 WeakPolarHBondContact OD1-CB 3.45Å; D63-S65 PolarHBondContact OD1-N 2.93Å; D63-S65 PolarHBondContact OD1-OG 2.99Å; D63-S65 PolarHBondContact OD2-OG 3.34Å; D63-N66 PolarHBondContact N-OD1 3.46Å; D63-N66 PolarHBondContact O-N 2.95Å; D63-N66 PolarHBondContact OD1-N 3.44Å; D63-N66 PolarHBondContact OD1-OD1 3.28Å; D63-L67 PolarHBondContact O-N 3.44Å
64N75.7Confident74Confident80 Ų8051 Ų5143%0.42831%0.311SS..Hα-helixtrans-64.2-26.7-179.7-159.9-45.5000111.9L67 T68 K117N64-L67 PolarHBondContact O-N 3.08Å; N64-T68 WeakPolarHBondContact O-CB 3.42Å; N64-T68 PolarHBondContact O-N 2.89Å; N64-T68 PolarHBondContact O-OG1 3.05Å; N64-T68 PolarHBondContact OD1-OG1 3Å; N64-K117 PolarHBondContact OD1-NZ 3.46Å; N64-K117 VanDerWaalsContact OD1-NZ 3.15Å
65S78.1Confident75.3Confident74 Ų7448.6 Ų48.652%0.51729%0.293SS..Hα-helixtrans-66.9-42.6176.1830000110.7D63 L67 T68 A69D63-S65 PolarHBondContact O-N 2.88Å; D63-S65 VanDerWaalsContact OD1-CA 3.29Å; D63-S65 WeakPolarHBondContact OD1-CA 3.46Å; D63-S65 WeakPolarHBondContact OD1-CB 3.45Å; D63-S65 PolarHBondContact OD1-N 2.93Å; D63-S65 PolarHBondContact OD1-OG 2.99Å; D63-S65 PolarHBondContact OD2-OG 3.34Å; S65-L67 PolarHBondContact O-N 3.01Å; S65-T68 WeakPolarHBondContact O-CB 3.43Å; S65-T68 PolarHBondContact O-N 3.32Å; S65-A69 PolarHBondContact O-N 2.95Å
66N81.6Confident76.7Confident43 Ų4350.7 Ų50.723%0.2329%0.294CS..Hα-helixtrans-62-44.1174.5-55.4111.1000111.5F62 D63 T68 A69 I70F62-N66 WeakPolarHBondContact CA-OD1 3.43Å; F62-N66 HydrophobicContact CD1-CB 3.99Å; D63-N66 PolarHBondContact N-OD1 3.46Å; D63-N66 PolarHBondContact O-N 2.95Å; D63-N66 PolarHBondContact OD1-N 3.44Å; D63-N66 PolarHBondContact OD1-OD1 3.28Å; N66-T68 VanDerWaalsContact C-N 3.31Å; N66-T68 PolarHBondContact O-N 3.41Å; N66-A69 PolarHBondContact O-N 2.98Å; N66-I70 WeakPolarHBondContact O-CG1 3.22Å; N66-I70 PolarHBondContact O-N 3.42Å
67L83.9Confident78.1Confident2 Ų248.3 Ų48.31%0.0129%0.293CS..Hα-helixtrans-63.9-37.4176.9-62.1178.8000112D63 N64 S65 I70 C71 L94 F116 K117 A120 M121 L124D63-L67 PolarHBondContact O-N 3.44Å; N64-L67 PolarHBondContact O-N 3.08Å; S65-L67 PolarHBondContact O-N 3.01Å; L67-I70 PolarHBondContact O-N 3.36Å; L67-C71 PolarHBondContact O-N 2.78Å; L67-C71 PolarHBondContact O-SG 2.55Å; L67-L94 HydrophobicContact CD2-CD1 3.56Å; L67-L94 HydrophobicContact CD2-CD2 4.24Å; L67-F116 HydrophobicContact CD2-CE1 4.43Å; L67-K117 HydrophobicContact CB-CG 4.04Å; L67-K117 HydrophobicContact CD1-CB 4.45Å; L67-K117 HydrophobicContact CD1-CG 4.43Å; L67-A120 HydrophobicContact CD1-CB 4.43Å; L67-A120 HydrophobicContact CD2-CB 3.85Å; L67-M121 HydrophobicContact CD1-CB 4.2Å; L67-L124 HydrophobicContact CD2-CD1 4.12Å
68T84.6Confident79.4Confident67 Ų6749 Ų4941%0.41130%0.304SS..Hα-helixtrans-64-42.9175.5-55.80000111.5N64 S65 N66 I70 C71 G72 K117N64-T68 WeakPolarHBondContact O-CB 3.42Å; N64-T68 PolarHBondContact O-N 2.89Å; N64-T68 PolarHBondContact O-OG1 3.05Å; N64-T68 PolarHBondContact OD1-OG1 3Å; S65-T68 WeakPolarHBondContact O-CB 3.43Å; S65-T68 PolarHBondContact O-N 3.32Å; N66-T68 VanDerWaalsContact C-N 3.31Å; N66-T68 PolarHBondContact O-N 3.41Å; T68-I70 VanDerWaalsContact C-N 3.33Å; T68-I70 PolarHBondContact O-N 3.03Å; T68-C71 PolarHBondContact O-N 3.28Å; T68-G72 PolarHBondContact O-N 2.86Å; T68-K117 PolarHBondContact OG1-NZ 3.32Å
69A86.1Confident80.6Confident56 Ų5653 Ų5346%0.46332%0.319SS..Hα-helixtrans-61.2-43176.500000111.4S65 N66 G72 I73S65-A69 PolarHBondContact O-N 2.95Å; N66-A69 PolarHBondContact O-N 2.98Å; A69-G72 PolarHBondContact O-N 2.75Å; A69-G72 VanDerWaalsContact O-N 3.16Å; A69-I73 WeakPolarHBondContact O-CG1 3.48Å; A69-I73 PolarHBondContact O-N 2.77Å
70I86.8Confident81.8Confident21 Ų2159.4 Ų59.411%0.10835%0.345CS..Hα-helixtrans-64.4-41.7176.8-67.4176000111.6N66 L67 T68 G72 I73 M74 A90 L94 F116N66-I70 WeakPolarHBondContact O-CG1 3.22Å; N66-I70 PolarHBondContact O-N 3.42Å; L67-I70 PolarHBondContact O-N 3.36Å; T68-I70 VanDerWaalsContact C-N 3.33Å; T68-I70 PolarHBondContact O-N 3.03Å; I70-G72 VanDerWaalsContact C-N 3.27Å; I70-G72 PolarHBondContact O-N 2.87Å; I70-I73 PolarHBondContact O-N 3.09Å; I70-I73 VanDerWaalsContact O-N 3.16Å; I70-M74 HydrophobicContact CG2-CG 4.16Å; I70-M74 WeakPolarHBondContact O-CB 3.11Å; I70-M74 VanDerWaalsContact O-CG 3.23Å; I70-M74 WeakPolarHBondContact O-CG 3.4Å; I70-M74 PolarHBondContact O-N 3.07Å; I70-A90 HydrophobicContact CG2-CB 3.65Å; I70-L94 HydrophobicContact CD1-CD1 3.95Å; I70-L94 HydrophobicContact CD1-CD2 3.28Å; I70-L94 HydrophobicContact CD1-CG 3.42Å; I70-L94 VanDerWaalsContact CD1-CG 3.42Å; I70-F116 HydrophobicContact CG2-CE1 4.35Å; I70-F116 HydrophobicContact CG2-CZ 4.03Å
71C84.9Confident83Confident3 Ų362 Ų622%0.0235%0.354CS..Hα-helixtrans-57.1-42.8172.7-660000111.5L67 T68 I73 M74 D75 F116L67-C71 PolarHBondContact O-N 2.78Å; L67-C71 PolarHBondContact O-SG 2.55Å; T68-C71 PolarHBondContact O-N 3.28Å; C71-I73 VanDerWaalsContact C-N 3.34Å; C71-I73 PolarHBondContact O-N 2.71Å; C71-M74 PolarHBondContact O-N 2.93Å; C71-D75 WeakPolarHBondContact O-CB 3.23Å; C71-D75 PolarHBondContact O-N 3.43Å; C71-F116 WeakPolarHBondContact SG-CD1 3.46Å
72G86Confident84.1Confident44 Ų4460.6 Ų60.645%0.45435%0.346SS..Hα-helixtrans-64.5-34.817700000113.9T68 A69 I70 D75T68-G72 PolarHBondContact O-N 2.86Å; A69-G72 PolarHBondContact O-N 2.75Å; A69-G72 VanDerWaalsContact O-N 3.16Å; I70-G72 VanDerWaalsContact C-N 3.27Å; I70-G72 PolarHBondContact O-N 2.87Å; G72-D75 CarbonylContact O-C 3.53Å
73I88.6Confident85.2Confident113 Ų11359.1 Ų59.158%0.57934%0.343SS*.Hα-helixtrans-68.9-37.9174.7-67.1165.1000111A69 I70 C71A69-I73 WeakPolarHBondContact O-CG1 3.48Å; A69-I73 PolarHBondContact O-N 2.77Å; I70-I73 PolarHBondContact O-N 3.09Å; I70-I73 VanDerWaalsContact O-N 3.16Å; C71-I73 VanDerWaalsContact C-N 3.34Å; C71-I73 PolarHBondContact O-N 2.71Å
74M86.6Confident86Confident8 Ų857.3 Ų57.34%0.03933%0.332CS..Hα-helixtrans-82.7-27.3-176.7-64.8-67.5159.500113.1I70 C71 P76 I82 Q86 Q89 A90 M93I70-M74 HydrophobicContact CG2-CG 4.16Å; I70-M74 WeakPolarHBondContact O-CB 3.11Å; I70-M74 VanDerWaalsContact O-CG 3.23Å; I70-M74 WeakPolarHBondContact O-CG 3.4Å; I70-M74 PolarHBondContact O-N 3.07Å; C71-M74 PolarHBondContact O-N 2.93Å; M74-P76 VanDerWaalsContact C-CD 3.43Å; M74-P76 WeakPolarHBondContact O-CD 3.38Å; M74-I82 HydrophobicContact CB-CG2 3.77Å; M74-Q86 HydrophobicContact CB-CB 4.4Å; M74-Q86 PolarHBondContact O-NE2 3.29Å; M74-Q86 HydrophobicContact SD-CB 4.14Å; M74-Q86 HydrophobicContact SD-CG 4.47Å; M74-Q89 HydrophobicContact CE-CB 4.38Å; M74-Q89 HydrophobicContact CE-CG 4.08Å; M74-A90 HydrophobicContact CE-CB 4.1Å; M74-A90 HydrophobicContact CG-CB 3.97Å; M74-A90 HydrophobicContact SD-CB 4.3Å; M74-M93 HydrophobicContact CE-CE 4.16Å; M74-M93 HydrophobicContact CE-SD 3.4Å; M74-M93 WeakPolarHBondContact CE-SD 3.34Å
75D89.3Confident86.7Confident9 Ų956.8 Ų56.85%0.04834%0.339CS..  trans-123.970177.7178.923.9000110.9C71 G72 A77 N78 Q79 K80 I82 H113C71-D75 WeakPolarHBondContact O-CB 3.23Å; C71-D75 PolarHBondContact O-N 3.43Å; G72-D75 CarbonylContact O-C 3.53Å; D75-A77 PolarHBondContact O-N 3.01Å; D75-N78 PolarHBondContact O-N 2.86Å; D75-N78 PolarHBondContact OD1-N 2.98Å; D75-N78 VanDerWaalsContact OD2-CA 3.25Å; D75-N78 WeakPolarHBondContact OD2-CA 3.49Å; D75-Q79 PolarHBondContact OD1-N 3.38Å; D75-Q79 PolarHBondContact OD2-N 3.14Å; D75-K80 PolarHBondContact OD2-N 3.16Å; D75-I82 HydrophobicContact CB-CG2 4.04Å; D75-H113 WeakPolarHBondContact CB-NE2 3.45Å; D75-H113 IonicContact OD2-CE1 3.28Å; D75-H113 PolarHBondContact OD2-CE1 3.19Å; D75-H113 VanDerWaalsContact OD2-CE1 3.28Å; D75-H113 IonicContact OD2-NE2 3.36Å; D75-H113 PolarHBondContact OD2-NE2 2.89Å
76P86.8Confident87.2Confident113 Ų11356.4 Ų56.473%0.73433%0.329SS*.THydrogen-bonded Turntrans-65.2-20.4178.526.5-34.5000112.6M74 N78M74-P76 VanDerWaalsContact C-CD 3.43Å; M74-P76 WeakPolarHBondContact O-CD 3.38Å; P76-N78 VanDerWaalsContact C-N 3.3Å
77A87.2Confident87.6Confident67 Ų6754.5 Ų54.555%0.55432%0.318SS*.THydrogen-bonded Turntrans-84.5-2.417700000113.1D75 Q79D75-A77 PolarHBondContact O-N 3.01Å; A77-Q79 HydrophobicContact CB-CG 3.8Å; A77-Q79 PolarHBondContact O-N 2.88Å
78N85.2Confident87.8Confident117 Ų11757.3 Ų57.363%0.62633%0.33SS*.  trans51.739.5-179.3-166.434.9000113.4D75 P76 K80D75-N78 PolarHBondContact O-N 2.86Å; D75-N78 PolarHBondContact OD1-N 2.98Å; D75-N78 VanDerWaalsContact OD2-CA 3.25Å; D75-N78 WeakPolarHBondContact OD2-CA 3.49Å; P76-N78 VanDerWaalsContact C-N 3.3Å; N78-K80 PolarHBondContact O-N 2.95Å
79Q85.6Confident88Confident99 Ų9959.2 Ų59.246%0.46333%0.334SS..  trans-69.4-14.4176.3-61.8-178.6-6.500112.6D75 A77 Y81D75-Q79 PolarHBondContact OD1-N 3.38Å; D75-Q79 PolarHBondContact OD2-N 3.14Å; A77-Q79 HydrophobicContact CB-CG 3.8Å; A77-Q79 PolarHBondContact O-N 2.88Å; Q79-Y81 HydrophobicContact CB-CD1 3.99Å; Q79-Y81 HydrophobicContact CB-CD2 4.4Å; Q79-Y81 HydrophobicContact CB-CE1 3.6Å; Q79-Y81 HydrophobicContact CB-CE2 4.05Å; Q79-Y81 HydrophobicContact CB-CG 4.38Å; Q79-Y81 WeakPolarHBondContact O-CD1 3.37Å; Q79-Y81 VanDerWaalsContact O-CE1 3.29Å; Q79-Y81 WeakPolarHBondContact O-CE1 3.34Å; Q79-Y81 PolarHBondContact O-N 3.34Å; Q79-Y81 PolarHBondContact OE1-OH 2.89Å
80K88.2Confident88.1Confident151 Ų15156.5 Ų56.566%0.65731%0.312SS*.SBendtrans71.910-177.1-52.7-179177.5178.10114.7D75 N78 H113D75-K80 PolarHBondContact OD2-N 3.16Å; N78-K80 PolarHBondContact O-N 2.95Å; K80-H113 PolarHBondContact O-N 3.34Å
81Y89.6Confident88.1Confident82 Ų8255.7 Ų55.732%0.32231%0.308SS..EExtended strand (participates in β ladder)trans-140154175.556-96.4000110.3Q79 K110 I111Q79-Y81 HydrophobicContact CB-CD1 3.99Å; Q79-Y81 HydrophobicContact CB-CD2 4.4Å; Q79-Y81 HydrophobicContact CB-CE1 3.6Å; Q79-Y81 HydrophobicContact CB-CE2 4.05Å; Q79-Y81 HydrophobicContact CB-CG 4.38Å; Q79-Y81 WeakPolarHBondContact O-CD1 3.37Å; Q79-Y81 VanDerWaalsContact O-CE1 3.29Å; Q79-Y81 WeakPolarHBondContact O-CE1 3.34Å; Q79-Y81 PolarHBondContact O-N 3.34Å; Q79-Y81 PolarHBondContact OE1-OH 2.89Å; Y81-K110 HydrophobicContact CD2-CB 4.26Å; Y81-K110 HydrophobicContact CD2-CG 3.78Å; Y81-K110 HydrophobicContact CE2-CG 4.06Å; Y81-K110 HydrophobicContact CG-CB 4.23Å; Y81-K110 HydrophobicContact CG-CG 4.11Å; Y81-I111 CarbonylContact C-O 3.58Å; Y81-I111 VanDerWaalsContact CA-O 3.23Å; Y81-I111 WeakPolarHBondContact CA-O 3.45Å
82I90.6Very high88.1Confident1 Ų159.8 Ų59.81%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-123.5147.4174.660.5178.1000109.3M74 D75 Q86 I111 F116M74-I82 HydrophobicContact CB-CG2 3.77Å; D75-I82 HydrophobicContact CB-CG2 4.04Å; I82-Q86 HydrophobicContact CB-CB 4.03Å; I82-I111 HydrophobicContact CG1-CB 4.12Å; I82-I111 HydrophobicContact CG1-CG2 4.47Å; I82-I111 PolarHBondContact N-O 3.45Å; I82-I111 WeakPolarHBondContact O-CB 3.18Å; I82-I111 PolarHBondContact O-N 2.98Å; I82-F116 HydrophobicContact CD1-CB 4.19Å; I82-F116 HydrophobicContact CD1-CD2 4.16Å; I82-F116 HydrophobicContact CD1-CG 4.11Å
83S91.6Very high87.9Confident25 Ų2562.9 Ų62.918%0.17534%0.337CS..  trans-66.8162.2170.5620000111.2A85 Q86 Y87 D109S83-A85 PolarHBondContact O-N 3.36Å; S83-Q86 PolarHBondContact O-N 2.88Å; S83-Q86 VanDerWaalsContact OG-CD 3.29Å; S83-Q86 WeakPolarHBondContact OG-CG 3.29Å; S83-Q86 PolarHBondContact OG-N 3.32Å; S83-Q86 PolarHBondContact OG-OE1 3.22Å; S83-Y87 WeakPolarHBondContact O-CB 3.29Å; S83-Y87 PolarHBondContact O-N 3.06Å; S83-D109 WeakPolarHBondContact CB-OD2 3.42Å
84F90.1Very high87.5Confident29 Ų2958 Ų5813%0.12731%0.312CS..Hα-helixtrans-60.7-34.7175.2-176.2-116.4000112.5Y87 K88 E101 P103 R106 D109 I111F84-Y87 HydrophobicContact CD2-CD1 4.03Å; F84-Y87 HydrophobicContact CE2-CD1 4.15Å; F84-Y87 HydrophobicContact CE2-CE1 4.37Å; F84-Y87 PolarHBondContact O-N 3.27Å; F84-K88 HydrophobicContact CE1-CD 3.96Å; F84-K88 HydrophobicContact CE1-CG 4.42Å; F84-K88 HydrophobicContact CE2-CG 4.48Å; F84-K88 HydrophobicContact CZ-CD 4.14Å; F84-K88 HydrophobicContact CZ-CG 4.34Å; F84-K88 WeakPolarHBondContact O-CG 3.46Å; F84-K88 PolarHBondContact O-N 3.34Å; F84-E101 VanDerWaalsContact CE2-O 3.22Å; F84-E101 WeakPolarHBondContact CE2-O 3.32Å; F84-E101 WeakPolarHBondContact CZ-O 3.41Å; F84-E101 WeakPolarHBondContact CZ-OE2 3.25Å; F84-P103 HydrophobicContact CD2-CG 3.98Å; F84-P103 HydrophobicContact CE2-CG 4.01Å; F84-R106 HydrophobicContact CD2-CG 4.25Å; F84-R106 VanDerWaalsContact CE1-NH2 3.29Å; F84-R106 HydrophobicContact CG-CG 4.48Å; F84-R106 VanDerWaalsContact CZ-NH2 3.25Å; F84-D109 VanDerWaalsContact CB-OD1 3.29Å; F84-D109 WeakPolarHBondContact CB-OD1 3.45Å; F84-D109 PolarHBondContact N-OD1 3.02Å; F84-I111 HydrophobicContact CB-CD1 4.24Å; F84-I111 HydrophobicContact CD2-CD1 3.99Å
85A89.5Confident87Confident69 Ų6960.1 Ų60.157%0.5734%0.337SS*.Hα-helixtrans-63.1-45.9174.900000111.6S83 K88 Q89S83-A85 PolarHBondContact O-N 3.36Å; A85-K88 PolarHBondContact O-N 3.27Å; A85-Q89 PolarHBondContact O-N 3.4Å
86Q89.6Confident86.7Confident66 Ų6659.9 Ų59.931%0.30834%0.335SS..Hα-helixtrans-66.1-39.3176.2-72.9162.8-39.800111.9M74 I82 S83 K88 Q89 A90M74-Q86 HydrophobicContact CB-CB 4.4Å; M74-Q86 PolarHBondContact O-NE2 3.29Å; M74-Q86 HydrophobicContact SD-CB 4.14Å; M74-Q86 HydrophobicContact SD-CG 4.47Å; I82-Q86 HydrophobicContact CB-CB 4.03Å; S83-Q86 PolarHBondContact O-N 2.88Å; S83-Q86 VanDerWaalsContact OG-CD 3.29Å; S83-Q86 WeakPolarHBondContact OG-CG 3.29Å; S83-Q86 PolarHBondContact OG-N 3.32Å; S83-Q86 PolarHBondContact OG-OE1 3.22Å; Q86-K88 PolarHBondContact O-N 2.97Å; Q86-Q89 PolarHBondContact O-N 3.03Å; Q86-A90 VanDerWaalsContact O-CB 3.26Å; Q86-A90 WeakPolarHBondContact O-CB 3.1Å; Q86-A90 PolarHBondContact O-N 2.96Å
87Y89.1Confident86.1Confident3 Ų364 Ų641%0.01234%0.341CS..Hα-helixtrans-57.1-48.7173.3166.9-90.6000111.9S83 F84 Q89 A90 L91 I99 N100 P103 I111 F116 E119S83-Y87 WeakPolarHBondContact O-CB 3.29Å; S83-Y87 PolarHBondContact O-N 3.06Å; F84-Y87 HydrophobicContact CD2-CD1 4.03Å; F84-Y87 HydrophobicContact CE2-CD1 4.15Å; F84-Y87 HydrophobicContact CE2-CE1 4.37Å; F84-Y87 PolarHBondContact O-N 3.27Å; Y87-Q89 VanDerWaalsContact C-N 3.34Å; Y87-Q89 PolarHBondContact O-N 3.4Å; Y87-A90 PolarHBondContact O-N 2.88Å; Y87-L91 HydrophobicContact CD1-CD1 4.13Å; Y87-L91 HydrophobicContact CD2-CD1 4.46Å; Y87-L91 HydrophobicContact CE1-CD1 3.46Å; Y87-L91 VanDerWaalsContact CE1-CD1 3.46Å; Y87-L91 HydrophobicContact CE2-CD1 3.86Å; Y87-L91 HydrophobicContact CE2-CG 4.43Å; Y87-L91 WeakPolarHBondContact O-CG 3.39Å; Y87-L91 PolarHBondContact O-N 3.49Å; Y87-L91 WeakPolarHBondContact OH-CD1 3.34Å; Y87-I99 HydrophobicContact CE1-CG2 3.79Å; Y87-N100 WeakPolarHBondContact CE1-O 3.11Å; Y87-N100 WeakPolarHBondContact OH-CB 3.29Å; Y87-P103 HydrophobicContact CD1-CG 4.27Å; Y87-P103 HydrophobicContact CE1-CB 4.42Å; Y87-P103 HydrophobicContact CE1-CG 4Å; Y87-P103 HydrophobicContact CE2-CB 4.19Å; Y87-P103 HydrophobicContact CE2-CG 4.43Å; Y87-I111 HydrophobicContact CD1-CD1 4.19Å; Y87-I111 HydrophobicContact CD2-CD1 3.99Å; Y87-I111 HydrophobicContact CD2-CG2 4.04Å; Y87-I111 HydrophobicContact CG-CD1 3.65Å; Y87-F116 HydrophobicContact CD2-CB 4.41Å; Y87-F116 AromaticContact CD2-CD2 3.72Å; Y87-F116 HydrophobicContact CD2-CD2 3.72Å; Y87-F116 HydrophobicContact CE2-CD2 4.04Å; Y87-E119 WeakPolarHBondContact CE2-OE2 3.47Å; Y87-E119 VanDerWaalsContact CZ-OE2 3.32Å; Y87-E119 PolarHBondContact OH-OE2 3.12Å
88K88.9Confident85.8Confident61 Ų6165 Ų6527%0.26534%0.338SS..Hα-helixtrans-60.3-44.2175.9-74.8-164.7163176.20111.9F84 A85 Q86 L91 T92 I99 E101F84-K88 HydrophobicContact CE1-CD 3.96Å; F84-K88 HydrophobicContact CE1-CG 4.42Å; F84-K88 HydrophobicContact CE2-CG 4.48Å; F84-K88 HydrophobicContact CZ-CD 4.14Å; F84-K88 HydrophobicContact CZ-CG 4.34Å; F84-K88 WeakPolarHBondContact O-CG 3.46Å; F84-K88 PolarHBondContact O-N 3.34Å; A85-K88 PolarHBondContact O-N 3.27Å; Q86-K88 PolarHBondContact O-N 2.97Å; K88-L91 PolarHBondContact O-N 3.17Å; K88-T92 WeakPolarHBondContact O-CB 3.34Å; K88-T92 PolarHBondContact O-N 2.97Å; K88-T92 PolarHBondContact O-OG1 3.04Å; K88-I99 HydrophobicContact CG-CG2 4.16Å; K88-E101 WeakPolarHBondContact CE-OE1 3.32Å; K88-E101 IonicContact NZ-OE1 2.75Å; K88-E101 PolarHBondContact NZ-OE1 3.08Å; K88-E101 IonicContact NZ-OE2 2.81Å; K88-E101 PolarHBondContact NZ-OE2 3.43Å
89Q88.8Confident85.6Confident106 Ų10661.1 Ų61.150%0.49532%0.317SS..Hα-helixtrans-64-41.2178.8-171.5179-16.600111.8M74 A85 Q86 Y87 T92 M93M74-Q89 HydrophobicContact CE-CB 4.38Å; M74-Q89 HydrophobicContact CE-CG 4.08Å; A85-Q89 PolarHBondContact O-N 3.4Å; Q86-Q89 PolarHBondContact O-N 3.03Å; Y87-Q89 VanDerWaalsContact C-N 3.34Å; Y87-Q89 PolarHBondContact O-N 3.4Å; Q89-T92 PolarHBondContact O-N 3.17Å; Q89-M93 WeakPolarHBondContact O-CG 3.43Å; Q89-M93 PolarHBondContact O-N 3.46Å
90A87.8Confident85.5Confident0 Ų059.8 Ų59.80%031%0.312CS..Hα-helixtrans-62.2-46.1177.700000112.5I70 M74 Q86 Y87 T92 M93 L94 F116I70-A90 HydrophobicContact CG2-CB 3.65Å; M74-A90 HydrophobicContact CE-CB 4.1Å; M74-A90 HydrophobicContact CG-CB 3.97Å; M74-A90 HydrophobicContact SD-CB 4.3Å; Q86-A90 VanDerWaalsContact O-CB 3.26Å; Q86-A90 WeakPolarHBondContact O-CB 3.1Å; Q86-A90 PolarHBondContact O-N 2.96Å; Y87-A90 PolarHBondContact O-N 2.88Å; A90-T92 VanDerWaalsContact C-N 3.32Å; A90-M93 PolarHBondContact O-N 3.46Å; A90-L94 PolarHBondContact O-N 3.05Å; A90-L94 VanDerWaalsContact O-N 3.15Å; A90-F116 HydrophobicContact CB-CD2 4.49Å; A90-F116 HydrophobicContact CB-CE2 3.57Å; A90-F116 HydrophobicContact CB-CZ 3.73Å
91L85.8Confident85.4Confident3 Ų357.2 Ų57.22%0.01630%0.303CS..Hα-helixtrans-64.8-39.2175.3-68.1178000111.8Y87 K88 M93 L94 G95 I96 I99 F116 A120Y87-L91 HydrophobicContact CD1-CD1 4.13Å; Y87-L91 HydrophobicContact CD2-CD1 4.46Å; Y87-L91 HydrophobicContact CE1-CD1 3.46Å; Y87-L91 VanDerWaalsContact CE1-CD1 3.46Å; Y87-L91 HydrophobicContact CE2-CD1 3.86Å; Y87-L91 HydrophobicContact CE2-CG 4.43Å; Y87-L91 WeakPolarHBondContact O-CG 3.39Å; Y87-L91 PolarHBondContact O-N 3.49Å; Y87-L91 WeakPolarHBondContact OH-CD1 3.34Å; K88-L91 PolarHBondContact O-N 3.17Å; L91-M93 VanDerWaalsContact C-N 3.34Å; L91-M93 PolarHBondContact O-N 3.04Å; L91-L94 CarbonylContact O-C 3.53Å; L91-L94 WeakPolarHBondContact O-CB 3.44Å; L91-L94 PolarHBondContact O-N 3.46Å; L91-L94 VanDerWaalsContact O-N 3.12Å; L91-G95 PolarHBondContact O-N 2.99Å; L91-I96 HydrophobicContact CB-CB 4.22Å; L91-I96 HydrophobicContact CB-CG2 4.49Å; L91-I96 HydrophobicContact CD2-CD1 3.57Å; L91-I96 WeakPolarHBondContact O-CB 3.43Å; L91-I96 PolarHBondContact O-N 3.49Å; L91-I99 HydrophobicContact CB-CD1 4.31Å; L91-I99 HydrophobicContact CB-CG1 4.1Å; L91-I99 HydrophobicContact CD1-CB 4.26Å; L91-I99 HydrophobicContact CD1-CG1 4.02Å; L91-I99 HydrophobicContact CD1-CG2 3.78Å; L91-F116 HydrophobicContact CD2-CD2 4.39Å; L91-F116 HydrophobicContact CD2-CE2 3.81Å; L91-F116 HydrophobicContact CG-CE2 4.11Å; L91-A120 HydrophobicContact CD2-CB 3.89Å
92T84.7Confident85.1Confident90 Ų9058.8 Ų58.855%0.55232%0.317SS*.Hα-helixtrans-63.3-40.1175.8-550000111.5K88 Q89 A90 L94 G95K88-T92 WeakPolarHBondContact O-CB 3.34Å; K88-T92 PolarHBondContact O-N 2.97Å; K88-T92 PolarHBondContact O-OG1 3.04Å; Q89-T92 PolarHBondContact O-N 3.17Å; A90-T92 VanDerWaalsContact C-N 3.32Å; T92-L94 PolarHBondContact O-N 3.12Å; T92-G95 PolarHBondContact O-N 3.35Å
93M82.2Confident84.9Confident109 Ų10958.9 Ų58.954%0.53732%0.318SS..Hα-helixtrans-63.3-29.9174.3-78-178.3167.300112.9M74 Q89 A90 L91 G95M74-M93 HydrophobicContact CE-CE 4.16Å; M74-M93 HydrophobicContact CE-SD 3.4Å; M74-M93 WeakPolarHBondContact CE-SD 3.34Å; Q89-M93 WeakPolarHBondContact O-CG 3.43Å; Q89-M93 PolarHBondContact O-N 3.46Å; A90-M93 PolarHBondContact O-N 3.46Å; L91-M93 VanDerWaalsContact C-N 3.34Å; L91-M93 PolarHBondContact O-N 3.04Å; M93-G95 PolarHBondContact O-N 3.3Å
94L80.4Confident84.6Confident9 Ų964.5 Ų64.55%0.04734%0.341CS..THydrogen-bonded Turntrans-78-1.7172.7-72.2167.2000113.3F62 L67 I70 A90 L91 T92 I96 F116 A120 L124F62-L94 HydrophobicContact CD1-CD2 3.62Å; F62-L94 HydrophobicContact CD2-CD2 4.37Å; F62-L94 HydrophobicContact CE1-CD2 3.74Å; F62-L94 HydrophobicContact CE2-CD2 4.47Å; F62-L94 HydrophobicContact CG-CD2 3.95Å; F62-L94 HydrophobicContact CZ-CD2 4.17Å; L67-L94 HydrophobicContact CD2-CD1 3.56Å; L67-L94 HydrophobicContact CD2-CD2 4.24Å; I70-L94 HydrophobicContact CD1-CD1 3.95Å; I70-L94 HydrophobicContact CD1-CD2 3.28Å; I70-L94 HydrophobicContact CD1-CG 3.42Å; I70-L94 VanDerWaalsContact CD1-CG 3.42Å; A90-L94 PolarHBondContact O-N 3.05Å; A90-L94 VanDerWaalsContact O-N 3.15Å; L91-L94 CarbonylContact O-C 3.53Å; L91-L94 WeakPolarHBondContact O-CB 3.44Å; L91-L94 PolarHBondContact O-N 3.46Å; L91-L94 VanDerWaalsContact O-N 3.12Å; T92-L94 PolarHBondContact O-N 3.12Å; L94-I96 HydrophobicContact CB-CD1 3.81Å; L94-I96 HydrophobicContact CB-CG1 3.99Å; L94-I96 HydrophobicContact CD1-CD1 4.03Å; L94-I96 PolarHBondContact O-N 3.12Å; L94-F116 HydrophobicContact CD1-CZ 4.02Å; L94-A120 HydrophobicContact CD1-CB 4.19Å; L94-L124 HydrophobicContact CD1-CD1 4.5Å
95G77Confident84.2Confident54 Ų5464.6 Ų64.656%0.55735%0.35SS*.THydrogen-bonded Turntrans759.3-175.800000114L91 T92 M93 K97L91-G95 PolarHBondContact O-N 2.99Å; T92-G95 PolarHBondContact O-N 3.35Å; M93-G95 PolarHBondContact O-N 3.3Å; G95-K97 PolarHBondContact O-N 3.37Å
96I81.6Confident84Confident4 Ų465.3 Ų65.32%0.02134%0.338CS..  trans-76.3119180-62.8165.4000108.9L91 L94 A120 V123 L124L91-I96 HydrophobicContact CB-CB 4.22Å; L91-I96 HydrophobicContact CB-CG2 4.49Å; L91-I96 HydrophobicContact CD2-CD1 3.57Å; L91-I96 WeakPolarHBondContact O-CB 3.43Å; L91-I96 PolarHBondContact O-N 3.49Å; L94-I96 HydrophobicContact CB-CD1 3.81Å; L94-I96 HydrophobicContact CB-CG1 3.99Å; L94-I96 HydrophobicContact CD1-CD1 4.03Å; L94-I96 PolarHBondContact O-N 3.12Å; I96-A120 HydrophobicContact CD1-CB 4.4Å; I96-V123 HydrophobicContact CB-CG1 4.42Å; I96-V123 HydrophobicContact CD1-CB 4.49Å; I96-V123 HydrophobicContact CD1-CG1 4.45Å; I96-V123 HydrophobicContact CG1-CG1 4.22Å; I96-V123 HydrophobicContact CG2-CB 4.27Å; I96-V123 HydrophobicContact CG2-CG1 3.43Å; I96-V123 VanDerWaalsContact CG2-CG1 3.43Å; I96-L124 HydrophobicContact CD1-CD1 4.45Å; I96-L124 HydrophobicContact CD1-CD2 4.07Å; I96-L124 HydrophobicContact CD1-CG 3.89Å; I96-L124 HydrophobicContact CG1-CD2 4.03Å; I96-L124 HydrophobicContact CG1-CG 4.34Å
97K75.8Confident83.8Confident198 Ų19867.4 Ų67.486%0.86137%0.367SS*.  trans-95.7-26.6-178.9-63.3178.9-175.9172.70113.3G95 I99G95-K97 PolarHBondContact O-N 3.37Å; K97-I99 PolarHBondContact O-N 3.1Å
98D79.1Confident83.7Confident89 Ų8974.4 Ų74.448%0.47640%0.399SS..SBendtrans-93.388.4178.8-174.231.3000109.3R126D98-R126 IonicContact OD2-CZ 3.19Å; D98-R126 IonicContact OD2-NH1 2.77Å; D98-R126 PolarHBondContact OD2-NH1 3.4Å; D98-R126 IonicContact OD2-NH2 2.75Å; D98-R126 PolarHBondContact OD2-NH2 3.47Å
99I82.3Confident83.7Confident36 Ų3675.5 Ų75.519%0.18541%0.408CS..  trans-93128.6-175-64.5175.1000109.2Y87 K88 L91 K97 E101Y87-I99 HydrophobicContact CE1-CG2 3.79Å; K88-I99 HydrophobicContact CG-CG2 4.16Å; L91-I99 HydrophobicContact CB-CD1 4.31Å; L91-I99 HydrophobicContact CB-CG1 4.1Å; L91-I99 HydrophobicContact CD1-CB 4.26Å; L91-I99 HydrophobicContact CD1-CG1 4.02Å; L91-I99 HydrophobicContact CD1-CG2 3.78Å; K97-I99 PolarHBondContact O-N 3.1Å; I99-E101 PolarHBondContact O-N 3.3Å; I99-E101 VanDerWaalsContact O-N 3.12Å
100N83.5Confident83.8Confident70 Ų7075.3 Ų75.337%0.37441%0.406SS..  trans-64.3114.6170.5-1799000108.9Y87 N102 P103 E119Y87-N100 WeakPolarHBondContact CE1-O 3.11Å; Y87-N100 WeakPolarHBondContact OH-CB 3.29Å; N100-N102 VanDerWaalsContact C-N 3.26Å; N100-N102 PolarHBondContact ND2-O 2.95Å; N100-N102 PolarHBondContact O-N 3Å; N100-N102 PolarHBondContact OD1-N 3.4Å; N100-P103 WeakPolarHBondContact ND2-CA 3.5Å; N100-P103 WeakPolarHBondContact O-CD 3.28Å; N100-E119 PolarHBondContact ND2-OE1 3.38Å; N100-E119 VanDerWaalsContact ND2-OE1 3.09Å
101E84.8Confident83.9Confident97 Ų9775.3 Ų75.345%0.45341%0.406SS..SBendtrans-69.2-27.8177.1-76.3-68.4156.600111.1F84 K88 I99 P103 R106F84-E101 VanDerWaalsContact CE2-O 3.22Å; F84-E101 WeakPolarHBondContact CE2-O 3.32Å; F84-E101 WeakPolarHBondContact CZ-O 3.41Å; F84-E101 WeakPolarHBondContact CZ-OE2 3.25Å; K88-E101 WeakPolarHBondContact CE-OE1 3.32Å; K88-E101 IonicContact NZ-OE1 2.75Å; K88-E101 PolarHBondContact NZ-OE1 3.08Å; K88-E101 IonicContact NZ-OE2 2.81Å; K88-E101 PolarHBondContact NZ-OE2 3.43Å; I99-E101 PolarHBondContact O-N 3.3Å; I99-E101 VanDerWaalsContact O-N 3.12Å; E101-P103 VanDerWaalsContact C-CD 3.4Å; E101-P103 VanDerWaalsContact O-CD 3.29Å; E101-P103 WeakPolarHBondContact O-CD 3.48Å; E101-R106 WeakPolarHBondContact O-CD 3.39Å; E101-R106 PolarHBondContact O-NE 3.27Å; E101-R106 PolarHBondContact O-NH1 2.95Å; E101-R106 PolarHBondContact O-NH2 2.56Å; E101-R106 IonicContact OE2-NH2 3.35Å; E101-R106 PolarHBondContact OE2-NH2 3.43Å
102N84.7Confident84.2Confident115 Ų11577.1 Ų77.162%0.61542%0.418SS*.SBendtrans-121.466.4-176.3-161.454000113.8N100 R106N100-N102 VanDerWaalsContact C-N 3.26Å; N100-N102 PolarHBondContact ND2-O 2.95Å; N100-N102 PolarHBondContact O-N 3Å; N100-N102 PolarHBondContact OD1-N 3.4Å; N102-R106 WeakPolarHBondContact OD1-CD 3.35Å
103P85.4Confident84.4Confident4 Ų474.5 Ų74.53%0.02640%0.4CS..  trans-71.5157.817831.2-35.8000112F84 Y87 N100 E101 G105 R106 I111F84-P103 HydrophobicContact CD2-CG 3.98Å; F84-P103 HydrophobicContact CE2-CG 4.01Å; Y87-P103 HydrophobicContact CD1-CG 4.27Å; Y87-P103 HydrophobicContact CE1-CB 4.42Å; Y87-P103 HydrophobicContact CE1-CG 4Å; Y87-P103 HydrophobicContact CE2-CB 4.19Å; Y87-P103 HydrophobicContact CE2-CG 4.43Å; N100-P103 WeakPolarHBondContact ND2-CA 3.5Å; N100-P103 WeakPolarHBondContact O-CD 3.28Å; E101-P103 VanDerWaalsContact C-CD 3.4Å; E101-P103 VanDerWaalsContact O-CD 3.29Å; E101-P103 WeakPolarHBondContact O-CD 3.48Å; P103-G105 PolarHBondContact O-N 2.93Å; P103-R106 HydrophobicContact CG-CB 4.26Å; P103-R106 VanDerWaalsContact O-CB 3.26Å; P103-R106 WeakPolarHBondContact O-CB 3.28Å; P103-R106 PolarHBondContact O-N 3.24Å; P103-I111 HydrophobicContact CB-CD1 4.34Å; P103-I111 HydrophobicContact CG-CD1 3.53Å; P103-I111 HydrophobicContact CG-CG1 4.07Å
104E85Confident84.6Confident143 Ų14377.1 Ų77.167%0.66841%0.408SS*.THydrogen-bonded Turntrans-59.1127.4173.1-167.1-175.2-161.200110.4S115E104-S115 PolarHBondContact OE2-OG 3.45Å; E104-S115 VanDerWaalsContact OE2-OG 3.05Å
105G82.8Confident84.9Confident30 Ų3077.4 Ų77.431%0.30941%0.411SS..THydrogen-bonded Turntrans92-1.6-174.100000115.2P103 A107 E108 D109 K110P103-G105 PolarHBondContact O-N 2.93Å; G105-A107 VanDerWaalsContact C-N 3.33Å; G105-A107 PolarHBondContact O-N 3.11Å; G105-E108 PolarHBondContact O-N 3.21Å; G105-D109 PolarHBondContact O-N 3.36Å; G105-K110 CarbonylContact O-C 3.58Å; G105-K110 PolarHBondContact O-N 3.49Å
106R85.5Confident85.4Confident85 Ų8574.9 Ų74.932%0.32139%0.385SS..G310 helixtrans-59-40.1175.7-173.4-174.2-166.8-178.217.3113.2F84 E101 N102 P103 E108 D109F84-R106 HydrophobicContact CD2-CG 4.25Å; F84-R106 VanDerWaalsContact CE1-NH2 3.29Å; F84-R106 HydrophobicContact CG-CG 4.48Å; F84-R106 VanDerWaalsContact CZ-NH2 3.25Å; E101-R106 WeakPolarHBondContact O-CD 3.39Å; E101-R106 PolarHBondContact O-NE 3.27Å; E101-R106 PolarHBondContact O-NH1 2.95Å; E101-R106 PolarHBondContact O-NH2 2.56Å; E101-R106 IonicContact OE2-NH2 3.35Å; E101-R106 PolarHBondContact OE2-NH2 3.43Å; N102-R106 WeakPolarHBondContact OD1-CD 3.35Å; P103-R106 HydrophobicContact CG-CB 4.26Å; P103-R106 VanDerWaalsContact O-CB 3.26Å; P103-R106 WeakPolarHBondContact O-CB 3.28Å; P103-R106 PolarHBondContact O-N 3.24Å; R106-E108 PolarHBondContact O-N 3.46Å; R106-E108 VanDerWaalsContact O-N 3.15Å; R106-D109 PolarHBondContact O-N 3.01Å
107A84.4Confident85.7Confident110 Ų11076.9 Ų76.991%0.90939%0.393SS*.G310 helixtrans-59.1-28.4-176.600000113G105G105-A107 VanDerWaalsContact C-N 3.33Å; G105-A107 PolarHBondContact O-N 3.11Å
108E87.8Confident86.1Confident150 Ų15070.7 Ų70.770%0.70137%0.372SS*.G310 helixtrans-105.74.1179-63.4-179.7-151.800112.8G105 R106 K110G105-E108 PolarHBondContact O-N 3.21Å; R106-E108 PolarHBondContact O-N 3.46Å; R106-E108 VanDerWaalsContact O-N 3.15Å; E108-K110 HydrophobicContact CB-CB 4.34Å; E108-K110 HydrophobicContact CB-CD 4.49Å; E108-K110 WeakPolarHBondContact O-CG 3.47Å; E108-K110 PolarHBondContact O-N 3.3Å
109D88.2Confident86.4Confident84 Ų8468.1 Ų68.145%0.44936%0.357SS..THydrogen-bonded Turntrans51.633.6-170.6-158.137.4000113.5S83 F84 G105 R106S83-D109 WeakPolarHBondContact CB-OD2 3.42Å; F84-D109 VanDerWaalsContact CB-OD1 3.29Å; F84-D109 WeakPolarHBondContact CB-OD1 3.45Å; F84-D109 PolarHBondContact N-OD1 3.02Å; G105-D109 PolarHBondContact O-N 3.36Å; R106-D109 PolarHBondContact O-N 3.01Å
110K90.1Very high86.5Confident101 Ų10166.4 Ų66.444%0.43935%0.348SS..  trans-130.876.3-175.9-73175.9-176.2173.20110Y81 G105 E108 S112Y81-K110 HydrophobicContact CD2-CB 4.26Å; Y81-K110 HydrophobicContact CD2-CG 3.78Å; Y81-K110 HydrophobicContact CE2-CG 4.06Å; Y81-K110 HydrophobicContact CG-CB 4.23Å; Y81-K110 HydrophobicContact CG-CG 4.11Å; G105-K110 CarbonylContact O-C 3.58Å; G105-K110 PolarHBondContact O-N 3.49Å; E108-K110 HydrophobicContact CB-CB 4.34Å; E108-K110 HydrophobicContact CB-CD 4.49Å; E108-K110 WeakPolarHBondContact O-CG 3.47Å; E108-K110 PolarHBondContact O-N 3.3Å; K110-S112 PolarHBondContact O-N 2.81Å
111I91.5Very high86.4Confident0 Ų065.3 Ų65.30%034%0.342CS..EExtended strand (participates in β ladder)trans-80.5120177.3-60.1161.7000107.7Y81 I82 F84 Y87 P103 F116Y81-I111 CarbonylContact C-O 3.58Å; Y81-I111 VanDerWaalsContact CA-O 3.23Å; Y81-I111 WeakPolarHBondContact CA-O 3.45Å; I82-I111 HydrophobicContact CG1-CB 4.12Å; I82-I111 HydrophobicContact CG1-CG2 4.47Å; I82-I111 PolarHBondContact N-O 3.45Å; I82-I111 WeakPolarHBondContact O-CB 3.18Å; I82-I111 PolarHBondContact O-N 2.98Å; F84-I111 HydrophobicContact CB-CD1 4.24Å; F84-I111 HydrophobicContact CD2-CD1 3.99Å; Y87-I111 HydrophobicContact CD1-CD1 4.19Å; Y87-I111 HydrophobicContact CD2-CD1 3.99Å; Y87-I111 HydrophobicContact CD2-CG2 4.04Å; Y87-I111 HydrophobicContact CG-CD1 3.65Å; P103-I111 HydrophobicContact CB-CD1 4.34Å; P103-I111 HydrophobicContact CG-CD1 3.53Å; P103-I111 HydrophobicContact CG-CG1 4.07Å; I111-F116 HydrophobicContact CG2-CB 4.39Å
112S91Very high86.2Confident41 Ų4166.6 Ų66.629%0.28735%0.348SS..EExtended strand (participates in β ladder)trans-68.1150.4-179.182.10000111.4K110 K114 S115 F116K110-S112 PolarHBondContact O-N 2.81Å; S112-K114 PolarHBondContact O-N 3.34Å; S112-K114 VanDerWaalsContact O-N 3.13Å; S112-K114 PolarHBondContact OG-N 3.12Å; S112-S115 PolarHBondContact O-N 3.39Å; S112-S115 VanDerWaalsContact O-N 3.14Å; S112-S115 PolarHBondContact OG-N 3.16Å; S112-S115 PolarHBondContact OG-OG 2.66Å; S112-F116 PolarHBondContact O-N 3.01Å
113H88.4Confident85.8Confident36 Ų3662.3 Ų62.317%0.16733%0.326CS..Hα-helixtrans-55.8-31.6172.5-69.3179.2000112.3D75 K80 K117D75-H113 WeakPolarHBondContact CB-NE2 3.45Å; D75-H113 IonicContact OD2-CE1 3.28Å; D75-H113 PolarHBondContact OD2-CE1 3.19Å; D75-H113 VanDerWaalsContact OD2-CE1 3.28Å; D75-H113 IonicContact OD2-NE2 3.36Å; D75-H113 PolarHBondContact OD2-NE2 2.89Å; K80-H113 PolarHBondContact O-N 3.34Å; H113-K117 VanDerWaalsContact O-CB 3.3Å; H113-K117 WeakPolarHBondContact O-CB 3.48Å; H113-K117 WeakPolarHBondContact O-CG 3.36Å; H113-K117 PolarHBondContact O-N 3.17Å
114K87.3Confident85.4Confident164 Ų16462.7 Ų62.771%0.71333%0.328SS*.Hα-helixtrans-67.3-49.9177.5-174-175.8176-170.90110.9S112 K117 T118S112-K114 PolarHBondContact O-N 3.34Å; S112-K114 VanDerWaalsContact O-N 3.13Å; S112-K114 PolarHBondContact OG-N 3.12Å; K114-K117 PolarHBondContact O-N 3.05Å; K114-T118 PolarHBondContact O-N 2.96Å; K114-T118 PolarHBondContact O-OG1 3.06Å
115S86.8Confident84.8Confident14 Ų1459.4 Ų59.410%0.09831%0.313CS..Hα-helixtrans-61.6-45.7180-520000110.6E104 S112 K117 T118 E119E104-S115 PolarHBondContact OE2-OG 3.45Å; E104-S115 VanDerWaalsContact OE2-OG 3.05Å; S112-S115 PolarHBondContact O-N 3.39Å; S112-S115 VanDerWaalsContact O-N 3.14Å; S112-S115 PolarHBondContact OG-N 3.16Å; S112-S115 PolarHBondContact OG-OG 2.66Å; S115-K117 PolarHBondContact O-N 3.35Å; S115-T118 PolarHBondContact O-N 2.86Å; S115-E119 WeakPolarHBondContact O-CG 3.2Å; S115-E119 PolarHBondContact O-N 2.91Å; S115-E119 VanDerWaalsContact O-N 3.08Å
116F88.2Confident84.3Confident1 Ų163.2 Ų63.20%0.00432%0.318CS..Hα-helixtrans-56.9-49.7173.4166.7-101.4000112.6L67 I70 C71 I82 Y87 A90 L91 L94 I111 S112 T118 E119 A120L67-F116 HydrophobicContact CD2-CE1 4.43Å; I70-F116 HydrophobicContact CG2-CE1 4.35Å; I70-F116 HydrophobicContact CG2-CZ 4.03Å; C71-F116 WeakPolarHBondContact SG-CD1 3.46Å; I82-F116 HydrophobicContact CD1-CB 4.19Å; I82-F116 HydrophobicContact CD1-CD2 4.16Å; I82-F116 HydrophobicContact CD1-CG 4.11Å; Y87-F116 HydrophobicContact CD2-CB 4.41Å; Y87-F116 AromaticContact CD2-CD2 3.72Å; Y87-F116 HydrophobicContact CD2-CD2 3.72Å; Y87-F116 HydrophobicContact CE2-CD2 4.04Å; A90-F116 HydrophobicContact CB-CD2 4.49Å; A90-F116 HydrophobicContact CB-CE2 3.57Å; A90-F116 HydrophobicContact CB-CZ 3.73Å; L91-F116 HydrophobicContact CD2-CD2 4.39Å; L91-F116 HydrophobicContact CD2-CE2 3.81Å; L91-F116 HydrophobicContact CG-CE2 4.11Å; L94-F116 HydrophobicContact CD1-CZ 4.02Å; I111-F116 HydrophobicContact CG2-CB 4.39Å; S112-F116 PolarHBondContact O-N 3.01Å; F116-T118 PolarHBondContact O-N 3.45Å; F116-E119 PolarHBondContact O-N 3.4Å; F116-A120 HydrophobicContact CE2-CB 4.27Å; F116-A120 HydrophobicContact CZ-CB 4.28Å; F116-A120 WeakPolarHBondContact O-CB 3.3Å; F116-A120 PolarHBondContact O-N 3.2Å
117K86.4Confident83.4Confident46 Ų4662.6 Ų62.620%0.232%0.321CS..Hα-helixtrans-61.6-43-178.2-79.4177.4174.9-159.30112.4N64 L67 T68 H113 K114 S115 M121N64-K117 PolarHBondContact OD1-NZ 3.46Å; N64-K117 VanDerWaalsContact OD1-NZ 3.15Å; L67-K117 HydrophobicContact CB-CG 4.04Å; L67-K117 HydrophobicContact CD1-CB 4.45Å; L67-K117 HydrophobicContact CD1-CG 4.43Å; T68-K117 PolarHBondContact OG1-NZ 3.32Å; H113-K117 VanDerWaalsContact O-CB 3.3Å; H113-K117 WeakPolarHBondContact O-CB 3.48Å; H113-K117 WeakPolarHBondContact O-CG 3.36Å; H113-K117 PolarHBondContact O-N 3.17Å; K114-K117 PolarHBondContact O-N 3.05Å; S115-K117 PolarHBondContact O-N 3.35Å; K117-M121 WeakPolarHBondContact O-CB 3.43Å; K117-M121 PolarHBondContact O-N 2.94Å
118T85.6Confident82.3Confident69 Ų6957.8 Ų57.842%0.42328%0.281SS..Hα-helixtrans-62.4-52179-56.20000110.5K114 S115 F116 M121 E122K114-T118 PolarHBondContact O-N 2.96Å; K114-T118 PolarHBondContact O-OG1 3.06Å; S115-T118 PolarHBondContact O-N 2.86Å; F116-T118 PolarHBondContact O-N 3.45Å; T118-M121 PolarHBondContact O-N 2.99Å; T118-E122 WeakPolarHBondContact O-CG 3.25Å; T118-E122 PolarHBondContact O-N 3.37Å
119E84.9Confident81Confident34 Ų3451.5 Ų51.516%0.15926%0.255CS..Hα-helixtrans-63.6-46.1-179.5-70.1-174.2-17900112.2Y87 N100 S115 F116 M121 E122 V123Y87-E119 WeakPolarHBondContact CE2-OE2 3.47Å; Y87-E119 VanDerWaalsContact CZ-OE2 3.32Å; Y87-E119 PolarHBondContact OH-OE2 3.12Å; N100-E119 PolarHBondContact ND2-OE1 3.38Å; N100-E119 VanDerWaalsContact ND2-OE1 3.09Å; S115-E119 WeakPolarHBondContact O-CG 3.2Å; S115-E119 PolarHBondContact O-N 2.91Å; S115-E119 VanDerWaalsContact O-N 3.08Å; F116-E119 PolarHBondContact O-N 3.4Å; E119-M121 VanDerWaalsContact C-N 3.29Å; E119-M121 PolarHBondContact O-N 3.4Å; E119-E122 PolarHBondContact O-N 3.26Å; E119-V123 WeakPolarHBondContact O-CG2 3.48Å; E119-V123 PolarHBondContact O-N 3.13Å
120A84.3Confident79.6Confident0 Ų048.1 Ų48.10%024%0.237CC..Hα-helixtrans-59.9-42.1177.700000111.1L67 L91 L94 I96 F116 V123 L124L67-A120 HydrophobicContact CD1-CB 4.43Å; L67-A120 HydrophobicContact CD2-CB 3.85Å; L91-A120 HydrophobicContact CD2-CB 3.89Å; L94-A120 HydrophobicContact CD1-CB 4.19Å; I96-A120 HydrophobicContact CD1-CB 4.4Å; F116-A120 HydrophobicContact CE2-CB 4.27Å; F116-A120 HydrophobicContact CZ-CB 4.28Å; F116-A120 WeakPolarHBondContact O-CB 3.3Å; F116-A120 PolarHBondContact O-N 3.2Å; A120-V123 PolarHBondContact O-N 3.33Å; A120-L124 VanDerWaalsContact O-CB 3.23Å; A120-L124 WeakPolarHBondContact O-CB 3.33Å; A120-L124 WeakPolarHBondContact O-CD1 3.48Å; A120-L124 WeakPolarHBondContact O-CG 3.48Å; A120-L124 PolarHBondContact O-N 3.01Å
121M81.2Confident78Confident48 Ų4846.5 Ų46.524%0.23623%0.228CC..Hα-helixtrans-67.2-39.8179.2-167.3170.2-168.200112.1R57 L67 K117 T118 E119 M125R57-M121 VanDerWaalsContact NH1-CE 3.34Å; L67-M121 HydrophobicContact CD1-CB 4.2Å; K117-M121 WeakPolarHBondContact O-CB 3.43Å; K117-M121 PolarHBondContact O-N 2.94Å; T118-M121 PolarHBondContact O-N 2.99Å; E119-M121 VanDerWaalsContact C-N 3.29Å; E119-M121 PolarHBondContact O-N 3.4Å; M121-M125 HydrophobicContact CE-CE 4.44Å; M121-M125 HydrophobicContact CG-SD 4.44Å; M121-M125 VanDerWaalsContact O-CB 3.29Å; M121-M125 WeakPolarHBondContact O-CB 3.35Å; M121-M125 WeakPolarHBondContact O-CG 3.5Å; M121-M125 PolarHBondContact O-N 2.93Å
122E79.8Confident75.9Confident123 Ų12348.2 Ų48.258%0.57524%0.242SC*.Hα-helixtrans-62.6-45.7174.9-76.1-178.9177.500112.1T118 E119 M125 R126T118-E122 WeakPolarHBondContact O-CG 3.25Å; T118-E122 PolarHBondContact O-N 3.37Å; E119-E122 PolarHBondContact O-N 3.26Å; E122-M125 PolarHBondContact O-N 3.34Å; E122-R126 WeakPolarHBondContact O-CB 3.37Å; E122-R126 PolarHBondContact O-N 2.99Å
123V77.6Confident73.9Confident25 Ų2555.7 Ų55.715%0.15227%0.27CS..Hα-helixtrans-67.1-45.1178.6178.40000110.9I96 E119 A120 M125 R126 D127I96-V123 HydrophobicContact CB-CG1 4.42Å; I96-V123 HydrophobicContact CD1-CB 4.49Å; I96-V123 HydrophobicContact CD1-CG1 4.45Å; I96-V123 HydrophobicContact CG1-CG1 4.22Å; I96-V123 HydrophobicContact CG2-CB 4.27Å; I96-V123 HydrophobicContact CG2-CG1 3.43Å; I96-V123 VanDerWaalsContact CG2-CG1 3.43Å; E119-V123 WeakPolarHBondContact O-CG2 3.48Å; E119-V123 PolarHBondContact O-N 3.13Å; A120-V123 PolarHBondContact O-N 3.33Å; V123-M125 VanDerWaalsContact C-N 3.27Å; V123-M125 PolarHBondContact O-N 3.08Å; V123-R126 WeakPolarHBondContact O-CB 3.18Å; V123-R126 PolarHBondContact O-N 3.16Å; V123-R126 VanDerWaalsContact O-N 3.16Å; V123-D127 WeakPolarHBondContact O-CB 3.33Å; V123-D127 PolarHBondContact O-N 3Å
124L76.6Confident71.7Confident13 Ų1364.3 Ų64.37%0.06832%0.316CS..Hα-helixtrans-60.4-37.4175.8-73.2168.3000112N60 F62 L67 L94 I96 A120 S128N60-L124 PolarHBondContact ND2-O 3.4Å; N60-L124 VanDerWaalsContact ND2-O 3.14Å; F62-L124 HydrophobicContact CB-CD1 3.83Å; F62-L124 HydrophobicContact CD2-CD2 3.81Å; F62-L124 HydrophobicContact CE2-CD2 4.46Å; F62-L124 HydrophobicContact CG-CD1 4.4Å; F62-L124 HydrophobicContact CG-CD2 4.5Å; L67-L124 HydrophobicContact CD2-CD1 4.12Å; L94-L124 HydrophobicContact CD1-CD1 4.5Å; I96-L124 HydrophobicContact CD1-CD1 4.45Å; I96-L124 HydrophobicContact CD1-CD2 4.07Å; I96-L124 HydrophobicContact CD1-CG 3.89Å; I96-L124 HydrophobicContact CG1-CD2 4.03Å; I96-L124 HydrophobicContact CG1-CG 4.34Å; A120-L124 VanDerWaalsContact O-CB 3.23Å; A120-L124 WeakPolarHBondContact O-CB 3.33Å; A120-L124 WeakPolarHBondContact O-CD1 3.48Å; A120-L124 WeakPolarHBondContact O-CG 3.48Å; A120-L124 PolarHBondContact O-N 3.01Å; L124-S128 WeakPolarHBondContact O-CB 3.46Å; L124-S128 PolarHBondContact O-N 2.94Å; L124-S128 PolarHBondContact O-OG 3.35Å
125M72.3Confident70.9Confident73 Ų7359.4 Ų59.436%0.3630%0.296SS..Hα-helixtrans-65.6-44.1174.6-81.5176.5147.900112.1R57 M121 E122 V123 D127 S128 A129R57-M125 HydrophobicContact CB-CE 3.99Å; R57-M125 HydrophobicContact CG-CE 3.56Å; M121-M125 HydrophobicContact CE-CE 4.44Å; M121-M125 HydrophobicContact CG-SD 4.44Å; M121-M125 VanDerWaalsContact O-CB 3.29Å; M121-M125 WeakPolarHBondContact O-CB 3.35Å; M121-M125 WeakPolarHBondContact O-CG 3.5Å; M121-M125 PolarHBondContact O-N 2.93Å; E122-M125 PolarHBondContact O-N 3.34Å; V123-M125 VanDerWaalsContact C-N 3.27Å; V123-M125 PolarHBondContact O-N 3.08Å; M125-D127 VanDerWaalsContact C-N 3.32Å; M125-S128 WeakPolarHBondContact CA-OG 3.41Å; M125-S128 PolarHBondContact O-N 3.34Å; M125-S128 PolarHBondContact O-OG 3.27Å; M125-S128 VanDerWaalsContact O-OG 3.12Å; M125-A129 WeakPolarHBondContact O-CB 3.47Å; M125-A129 PolarHBondContact O-N 3.36Å
126R71.7Confident70.1Confident111 Ų11161.7 Ų61.742%0.41931%0.307SS..Hα-helixtrans-63.3-40.4177.9-176.7-171.667-175.71111.7D98 E122 V123 A129D98-R126 IonicContact OD2-CZ 3.19Å; D98-R126 IonicContact OD2-NH1 2.77Å; D98-R126 PolarHBondContact OD2-NH1 3.4Å; D98-R126 IonicContact OD2-NH2 2.75Å; D98-R126 PolarHBondContact OD2-NH2 3.47Å; E122-R126 WeakPolarHBondContact O-CB 3.37Å; E122-R126 PolarHBondContact O-N 2.99Å; V123-R126 WeakPolarHBondContact O-CB 3.18Å; V123-R126 PolarHBondContact O-N 3.16Å; V123-R126 VanDerWaalsContact O-N 3.16Å; R126-A129 PolarHBondContact O-N 3.27Å
127D66.5Low69.1Low71 Ų7165.1 Ų65.138%0.3832%0.324SS..Hα-helixtrans-78.7-32.4-178-68.86.4000111.1V123 M125 A129V123-D127 WeakPolarHBondContact O-CB 3.33Å; V123-D127 PolarHBondContact O-N 3Å; M125-D127 VanDerWaalsContact C-N 3.32Å; D127-A129 VanDerWaalsContact C-N 3.3Å; D127-A129 PolarHBondContact O-N 3.2Å
128S62.5Low68.1Low10 Ų1066.2 Ų66.27%0.0733%0.331CS..Hα-helixtrans-74.4-17.7171.267.70000113.7N60 L124 M125 T130N60-S128 PolarHBondContact ND2-OG 3.02Å; L124-S128 WeakPolarHBondContact O-CB 3.46Å; L124-S128 PolarHBondContact O-N 2.94Å; L124-S128 PolarHBondContact O-OG 3.35Å; M125-S128 WeakPolarHBondContact CA-OG 3.41Å; M125-S128 PolarHBondContact O-N 3.34Å; M125-S128 PolarHBondContact O-OG 3.27Å; M125-S128 VanDerWaalsContact O-OG 3.12Å; S128-T130 PolarHBondContact O-N 3.26Å
129A60.1Low67Low18 Ų1866.1 Ų66.115%0.14933%0.325CS..  trans-74.478.517200000109.9K17 M125 R126 D127 Y131K17-A129 WeakPolarHBondContact CD-O 3.48Å; K17-A129 PolarHBondContact NZ-O 3Å; M125-A129 WeakPolarHBondContact O-CB 3.47Å; M125-A129 PolarHBondContact O-N 3.36Å; R126-A129 PolarHBondContact O-N 3.27Å; D127-A129 VanDerWaalsContact C-N 3.3Å; D127-A129 PolarHBondContact O-N 3.2Å; A129-Y131 HydrophobicContact CB-CD1 4.34Å; A129-Y131 HydrophobicContact CB-CE1 3.81Å; A129-Y131 HydrophobicContact CB-CE2 4.27Å; A129-Y131 PolarHBondContact O-N 2.64Å
130T58.9Low65.8Low12 Ų1268.2 Ų68.27%0.07434%0.336CS..  trans-81.735.8175.764.30000111.4E20 L21 N24 S128E20-T130 HydrophobicContact CB-CG2 3.69Å; L21-T130 HydrophobicContact CB-CG2 4.44Å; N24-T130 WeakPolarHBondContact ND2-CG2 3.41Å; S128-T130 PolarHBondContact O-N 3.26Å
131Y57.1Low64.4Low67 Ų6773.1 Ų73.126%0.26336%0.36SS..SBendtrans-126144.4172.650.3-94.1000109.4R52 A129 K133R52-Y131 HydrophobicContact CB-CD1 4.45Å; R52-Y131 HydrophobicContact CB-CE1 4.49Å; R52-Y131 HydrophobicContact CB-CG 4.48Å; R52-Y131 HydrophobicContact CG-CD2 4.02Å; R52-Y131 HydrophobicContact CG-CE2 4.3Å; R52-Y131 HydrophobicContact CG-CG 4.22Å; A129-Y131 HydrophobicContact CB-CD1 4.34Å; A129-Y131 HydrophobicContact CB-CE1 3.81Å; A129-Y131 HydrophobicContact CB-CE2 4.27Å; A129-Y131 PolarHBondContact O-N 2.64Å; Y131-K133 PolarHBondContact O-N 2.8Å
132A46.9Very low63.2Low36 Ų3675 Ų7530%0.29837%0.37SS..  trans-66.8131169.900000109.2L134A132-L134 PolarHBondContact O-N 2.9Å
133K49.4Very low61.8Low199 Ų19971 Ų7187%0.86535%0.353SS*.  trans-63.4123.6158.3-73.2-175.7177.9-178.30106.2Y131Y131-K133 PolarHBondContact O-N 2.8Å
134L41.7Very low60.3Low217 Ų21775.2 Ų75.2100%1.13637%0.371SS*.  trans-63.50175.5-83.1162.5000110.1A132A132-L134 PolarHBondContact O-N 2.9Å

Retrieved 134 of 134 residues in 80.1 ms (Link to these results)

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